USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 907 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 THR OG1 : rot -40:sc= 0.819 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -1.24 X(o=-0.42,f=-0.82) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -1.36 K(o=0.014,f=-8!) USER MOD Set 2.2: A 69 SER OG : rot 179:sc= 1.37 USER MOD Set 3.1: A 48 GLN : amide:sc= -1.7! C(o=-3.2!,f=-9.9!) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 169:sc= -1.47! (180deg=-1.66!) USER MOD Set 4.1: A 18 HIS : no HE2:sc= -0.0423 K(o=0.15,f=-11!) USER MOD Set 4.2: A 19 SER OG : rot 180:sc= 0.00346 USER MOD Set 4.3: A 20 GLN : amide:sc= 0.0644 K(o=0.15,f=-3!) USER MOD Set 4.4: A 35 THR OG1 : rot 180:sc= 0.124 USER MOD Set 5.1: A 12 SER OG : rot -32:sc= 0.456 USER MOD Set 5.2: A 116 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -170:sc= -2.25! USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.219 (180deg=-0.696) USER MOD Single : A 21 SER OG : rot -101:sc= 0.576 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 129:sc= 0.973 USER MOD Single : A 29 GLN : amide:sc= -0.996 K(o=-1,f=-4.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=4.96e-05 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 46 TYR OH : rot -74:sc= 1.38 USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.05) USER MOD Single : A 52 SER OG : rot -86:sc= 1.26 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 76:sc= 0.631 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 65 SER OG : rot 115:sc= 0.0934 USER MOD Single : A 67 CYS SG : rot 180:sc= -3.17 USER MOD Single : A 68 SER OG : rot 180:sc= 0.016 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.787 K(o=-0.79,f=-3.6!) USER MOD Single : A 84 MET CE :methyl 161:sc= -0.264 (180deg=-0.743) USER MOD Single : A 85 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.16) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc=-0.000573 (180deg=-0.156) USER MOD Single : A 97 THR OG1 : rot -82:sc= 1.25 USER MOD Single : A 100 MET CE :methyl 162:sc= -1.58 (180deg=-2.69) USER MOD Single : A 101 SER OG : rot -143:sc= -0.866 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.002 14.527 6.770 1.00 64.52 N ATOM 2 CA GLY A 1 27.152 15.116 7.827 1.00 4.43 C ATOM 3 C GLY A 1 25.678 15.064 7.483 1.00 43.44 C ATOM 4 O GLY A 1 24.986 16.084 7.528 1.00 44.52 O ATOM 0 H1 GLY A 1 29.001 14.587 7.054 1.00 64.52 H new ATOM 0 H2 GLY A 1 27.741 13.530 6.630 1.00 64.52 H new ATOM 0 H3 GLY A 1 27.863 15.049 5.881 1.00 64.52 H new ATOM 0 HA2 GLY A 1 27.322 14.585 8.763 1.00 4.43 H new ATOM 0 HA3 GLY A 1 27.447 16.152 7.990 1.00 4.43 H new ATOM 10 N SER A 2 25.191 13.885 7.133 1.00 61.20 N ATOM 11 CA SER A 2 23.798 13.709 6.784 1.00 51.01 C ATOM 12 C SER A 2 23.231 12.479 7.477 1.00 43.32 C ATOM 13 O SER A 2 23.973 11.591 7.888 1.00 44.05 O ATOM 14 CB SER A 2 23.640 13.587 5.265 1.00 43.14 C ATOM 15 OG SER A 2 24.073 14.772 4.608 1.00 54.51 O ATOM 0 H SER A 2 25.748 13.032 7.084 1.00 61.20 H new ATOM 0 HA SER A 2 23.242 14.584 7.121 1.00 51.01 H new ATOM 0 HB2 SER A 2 24.217 12.736 4.904 1.00 43.14 H new ATOM 0 HB3 SER A 2 22.596 13.392 5.019 1.00 43.14 H new ATOM 0 HG SER A 2 23.963 14.668 3.640 1.00 54.51 H new ATOM 21 N HIS A 3 21.926 12.432 7.618 1.00 44.41 N ATOM 22 CA HIS A 3 21.275 11.300 8.260 1.00 73.42 C ATOM 23 C HIS A 3 21.034 10.187 7.261 1.00 51.22 C ATOM 24 O HIS A 3 20.683 10.447 6.105 1.00 21.42 O ATOM 25 CB HIS A 3 19.943 11.717 8.887 1.00 20.42 C ATOM 26 CG HIS A 3 20.072 12.593 10.095 1.00 1.23 C ATOM 27 ND1 HIS A 3 19.785 12.162 11.370 1.00 72.42 N ATOM 28 CD2 HIS A 3 20.444 13.888 10.216 1.00 22.44 C ATOM 29 CE1 HIS A 3 19.973 13.150 12.219 1.00 22.42 C ATOM 30 NE2 HIS A 3 20.373 14.207 11.544 1.00 74.42 N ATOM 0 H HIS A 3 21.289 13.162 7.298 1.00 44.41 H new ATOM 0 HA HIS A 3 21.938 10.940 9.047 1.00 73.42 H new ATOM 0 HB2 HIS A 3 19.351 12.240 8.136 1.00 20.42 H new ATOM 0 HB3 HIS A 3 19.389 10.820 9.162 1.00 20.42 H new ATOM 0 HD2 HIS A 3 20.742 14.547 9.414 1.00 22.44 H new ATOM 0 HE1 HIS A 3 19.824 13.102 13.288 1.00 22.42 H new ATOM 0 HE2 HIS A 3 20.594 15.118 11.947 1.00 74.42 H new ATOM 39 N MET A 4 21.240 8.953 7.689 1.00 32.33 N ATOM 40 CA MET A 4 20.976 7.809 6.839 1.00 4.01 C ATOM 41 C MET A 4 19.475 7.563 6.775 1.00 31.52 C ATOM 42 O MET A 4 18.879 6.989 7.697 1.00 64.32 O ATOM 43 CB MET A 4 21.739 6.551 7.314 1.00 70.13 C ATOM 44 CG MET A 4 21.491 6.140 8.766 1.00 23.43 C ATOM 45 SD MET A 4 22.231 7.271 9.966 1.00 61.21 S ATOM 46 CE MET A 4 21.799 6.450 11.501 1.00 42.22 C ATOM 0 H MET A 4 21.589 8.720 8.619 1.00 32.33 H new ATOM 0 HA MET A 4 21.342 8.028 5.836 1.00 4.01 H new ATOM 0 HB2 MET A 4 21.467 5.717 6.667 1.00 70.13 H new ATOM 0 HB3 MET A 4 22.807 6.723 7.181 1.00 70.13 H new ATOM 0 HG2 MET A 4 20.417 6.086 8.943 1.00 23.43 H new ATOM 0 HG3 MET A 4 21.891 5.139 8.926 1.00 23.43 H new ATOM 0 HE1 MET A 4 22.185 7.025 12.342 1.00 42.22 H new ATOM 0 HE2 MET A 4 20.715 6.374 11.581 1.00 42.22 H new ATOM 0 HE3 MET A 4 22.234 5.451 11.514 1.00 42.22 H new ATOM 56 N GLU A 5 18.867 8.036 5.683 1.00 63.23 N ATOM 57 CA GLU A 5 17.414 7.995 5.486 1.00 23.32 C ATOM 58 C GLU A 5 16.711 8.912 6.504 1.00 34.23 C ATOM 59 O GLU A 5 17.265 9.217 7.566 1.00 45.21 O ATOM 60 CB GLU A 5 16.848 6.560 5.581 1.00 11.43 C ATOM 61 CG GLU A 5 17.375 5.592 4.529 1.00 33.12 C ATOM 62 CD GLU A 5 18.603 4.834 4.987 1.00 2.54 C ATOM 63 OE1 GLU A 5 18.458 3.930 5.841 1.00 21.24 O ATOM 64 OE2 GLU A 5 19.706 5.111 4.484 1.00 4.45 O ATOM 0 H GLU A 5 19.372 8.461 4.905 1.00 63.23 H new ATOM 0 HA GLU A 5 17.216 8.355 4.476 1.00 23.32 H new ATOM 0 HB2 GLU A 5 17.076 6.160 6.569 1.00 11.43 H new ATOM 0 HB3 GLU A 5 15.762 6.607 5.499 1.00 11.43 H new ATOM 0 HG2 GLU A 5 16.590 4.881 4.272 1.00 33.12 H new ATOM 0 HG3 GLU A 5 17.614 6.145 3.621 1.00 33.12 H new ATOM 71 N PRO A 6 15.498 9.389 6.190 1.00 32.34 N ATOM 72 CA PRO A 6 14.734 10.234 7.109 1.00 30.33 C ATOM 73 C PRO A 6 14.441 9.514 8.425 1.00 34.20 C ATOM 74 O PRO A 6 14.418 8.279 8.483 1.00 15.33 O ATOM 75 CB PRO A 6 13.431 10.513 6.352 1.00 43.20 C ATOM 76 CG PRO A 6 13.755 10.257 4.922 1.00 4.33 C ATOM 77 CD PRO A 6 14.786 9.170 4.923 1.00 2.24 C ATOM 0 HA PRO A 6 15.277 11.139 7.381 1.00 30.33 H new ATOM 0 HB2 PRO A 6 12.627 9.863 6.697 1.00 43.20 H new ATOM 0 HB3 PRO A 6 13.098 11.540 6.504 1.00 43.20 H new ATOM 0 HG2 PRO A 6 12.867 9.952 4.369 1.00 4.33 H new ATOM 0 HG3 PRO A 6 14.137 11.157 4.441 1.00 4.33 H new ATOM 0 HD2 PRO A 6 14.329 8.181 4.883 1.00 2.24 H new ATOM 0 HD3 PRO A 6 15.455 9.248 4.066 1.00 2.24 H new ATOM 85 N ALA A 7 14.237 10.281 9.476 1.00 54.31 N ATOM 86 CA ALA A 7 13.963 9.716 10.786 1.00 12.52 C ATOM 87 C ALA A 7 12.499 9.344 10.915 1.00 50.24 C ATOM 88 O ALA A 7 12.156 8.325 11.509 1.00 22.34 O ATOM 89 CB ALA A 7 14.357 10.699 11.878 1.00 50.13 C ATOM 0 H ALA A 7 14.255 11.301 9.451 1.00 54.31 H new ATOM 0 HA ALA A 7 14.558 8.810 10.899 1.00 12.52 H new ATOM 0 HB1 ALA A 7 14.146 10.262 12.854 1.00 50.13 H new ATOM 0 HB2 ALA A 7 15.422 10.920 11.802 1.00 50.13 H new ATOM 0 HB3 ALA A 7 13.786 11.620 11.762 1.00 50.13 H new ATOM 95 N ARG A 8 11.643 10.164 10.346 1.00 14.44 N ATOM 96 CA ARG A 8 10.214 9.933 10.409 1.00 62.14 C ATOM 97 C ARG A 8 9.551 10.480 9.156 1.00 3.24 C ATOM 98 O ARG A 8 9.837 11.603 8.742 1.00 55.44 O ATOM 99 CB ARG A 8 9.644 10.606 11.658 1.00 41.12 C ATOM 100 CG ARG A 8 8.210 10.236 11.968 1.00 13.35 C ATOM 101 CD ARG A 8 7.771 10.824 13.298 1.00 62.43 C ATOM 102 NE ARG A 8 8.640 10.388 14.391 1.00 55.55 N ATOM 103 CZ ARG A 8 8.424 10.641 15.680 1.00 71.10 C ATOM 104 NH1 ARG A 8 7.348 11.320 16.064 1.00 72.20 N ATOM 105 NH2 ARG A 8 9.289 10.207 16.585 1.00 34.13 N ATOM 0 H ARG A 8 11.913 11.002 9.831 1.00 14.44 H new ATOM 0 HA ARG A 8 10.016 8.863 10.466 1.00 62.14 H new ATOM 0 HB2 ARG A 8 10.267 10.344 12.513 1.00 41.12 H new ATOM 0 HB3 ARG A 8 9.709 11.687 11.535 1.00 41.12 H new ATOM 0 HG2 ARG A 8 7.557 10.598 11.173 1.00 13.35 H new ATOM 0 HG3 ARG A 8 8.108 9.151 11.995 1.00 13.35 H new ATOM 0 HD2 ARG A 8 7.780 11.912 13.237 1.00 62.43 H new ATOM 0 HD3 ARG A 8 6.744 10.525 13.507 1.00 62.43 H new ATOM 0 HE ARG A 8 9.472 9.851 14.148 1.00 55.55 H new ATOM 0 HH11 ARG A 8 6.679 11.652 15.369 1.00 72.20 H new ATOM 0 HH12 ARG A 8 7.191 11.509 17.054 1.00 72.20 H new ATOM 0 HH21 ARG A 8 10.114 9.683 16.292 1.00 34.13 H new ATOM 0 HH22 ARG A 8 9.130 10.397 17.574 1.00 34.13 H new ATOM 119 N VAL A 9 8.685 9.689 8.546 1.00 52.44 N ATOM 120 CA VAL A 9 8.019 10.100 7.315 1.00 14.30 C ATOM 121 C VAL A 9 6.534 9.792 7.363 1.00 40.23 C ATOM 122 O VAL A 9 6.095 8.920 8.115 1.00 22.32 O ATOM 123 CB VAL A 9 8.625 9.401 6.065 1.00 23.03 C ATOM 124 CG1 VAL A 9 10.097 9.727 5.917 1.00 71.52 C ATOM 125 CG2 VAL A 9 8.415 7.892 6.124 1.00 14.43 C ATOM 0 H VAL A 9 8.425 8.761 8.879 1.00 52.44 H new ATOM 0 HA VAL A 9 8.172 11.176 7.232 1.00 14.30 H new ATOM 0 HB VAL A 9 8.102 9.784 5.188 1.00 23.03 H new ATOM 0 HG11 VAL A 9 10.494 9.225 5.035 1.00 71.52 H new ATOM 0 HG12 VAL A 9 10.222 10.804 5.808 1.00 71.52 H new ATOM 0 HG13 VAL A 9 10.636 9.387 6.801 1.00 71.52 H new ATOM 0 HG21 VAL A 9 8.849 7.429 5.237 1.00 14.43 H new ATOM 0 HG22 VAL A 9 8.898 7.492 7.015 1.00 14.43 H new ATOM 0 HG23 VAL A 9 7.348 7.674 6.161 1.00 14.43 H new ATOM 135 N ARG A 10 5.765 10.521 6.577 1.00 43.04 N ATOM 136 CA ARG A 10 4.348 10.266 6.453 1.00 35.35 C ATOM 137 C ARG A 10 4.052 9.660 5.097 1.00 43.22 C ATOM 138 O ARG A 10 4.347 10.261 4.056 1.00 73.44 O ATOM 139 CB ARG A 10 3.523 11.540 6.630 1.00 13.53 C ATOM 140 CG ARG A 10 2.046 11.318 6.341 1.00 4.32 C ATOM 141 CD ARG A 10 1.242 12.592 6.425 1.00 30.04 C ATOM 142 NE ARG A 10 -0.114 12.384 5.924 1.00 30.10 N ATOM 143 CZ ARG A 10 -0.947 13.362 5.579 1.00 41.12 C ATOM 144 NH1 ARG A 10 -0.608 14.634 5.774 1.00 33.53 N ATOM 145 NH2 ARG A 10 -2.130 13.069 5.058 1.00 23.40 N ATOM 0 H ARG A 10 6.104 11.300 6.012 1.00 43.04 H new ATOM 0 HA ARG A 10 4.068 9.570 7.244 1.00 35.35 H new ATOM 0 HB2 ARG A 10 3.640 11.907 7.650 1.00 13.53 H new ATOM 0 HB3 ARG A 10 3.908 12.314 5.967 1.00 13.53 H new ATOM 0 HG2 ARG A 10 1.935 10.887 5.346 1.00 4.32 H new ATOM 0 HG3 ARG A 10 1.646 10.592 7.049 1.00 4.32 H new ATOM 0 HD2 ARG A 10 1.204 12.936 7.459 1.00 30.04 H new ATOM 0 HD3 ARG A 10 1.732 13.375 5.847 1.00 30.04 H new ATOM 0 HE ARG A 10 -0.445 11.423 5.832 1.00 30.10 H new ATOM 0 HH11 ARG A 10 0.295 14.863 6.190 1.00 33.53 H new ATOM 0 HH12 ARG A 10 -1.251 15.380 5.507 1.00 33.53 H new ATOM 0 HH21 ARG A 10 -2.400 12.095 4.922 1.00 23.40 H new ATOM 0 HH22 ARG A 10 -2.770 13.818 4.793 1.00 23.40 H new ATOM 159 N CYS A 11 3.489 8.477 5.102 1.00 63.02 N ATOM 160 CA CYS A 11 3.149 7.798 3.874 1.00 21.21 C ATOM 161 C CYS A 11 1.843 7.048 4.033 1.00 42.23 C ATOM 162 O CYS A 11 1.591 6.429 5.070 1.00 70.33 O ATOM 163 CB CYS A 11 4.262 6.825 3.465 1.00 63.45 C ATOM 164 SG CYS A 11 5.880 7.597 3.241 1.00 74.43 S ATOM 0 H CYS A 11 3.255 7.960 5.950 1.00 63.02 H new ATOM 0 HA CYS A 11 3.037 8.548 3.091 1.00 21.21 H new ATOM 0 HB2 CYS A 11 4.346 6.047 4.224 1.00 63.45 H new ATOM 0 HB3 CYS A 11 3.975 6.333 2.535 1.00 63.45 H new ATOM 0 HG CYS A 11 6.697 6.743 2.699 1.00 74.43 H new ATOM 170 N SER A 12 1.013 7.122 3.023 1.00 62.25 N ATOM 171 CA SER A 12 -0.238 6.413 3.021 1.00 51.41 C ATOM 172 C SER A 12 -0.043 5.077 2.302 1.00 60.53 C ATOM 173 O SER A 12 0.818 4.967 1.416 1.00 54.25 O ATOM 174 CB SER A 12 -1.312 7.257 2.335 1.00 15.54 C ATOM 175 OG SER A 12 -1.382 8.561 2.909 1.00 72.52 O ATOM 0 H SER A 12 1.186 7.674 2.183 1.00 62.25 H new ATOM 0 HA SER A 12 -0.566 6.222 4.043 1.00 51.41 H new ATOM 0 HB2 SER A 12 -1.092 7.336 1.270 1.00 15.54 H new ATOM 0 HB3 SER A 12 -2.280 6.764 2.425 1.00 15.54 H new ATOM 0 HG SER A 12 -1.149 8.513 3.860 1.00 72.52 H new ATOM 181 N HIS A 13 -0.814 4.064 2.674 1.00 24.45 N ATOM 182 CA HIS A 13 -0.634 2.744 2.083 1.00 34.23 C ATOM 183 C HIS A 13 -1.957 2.087 1.677 1.00 1.10 C ATOM 184 O HIS A 13 -2.977 2.238 2.345 1.00 23.14 O ATOM 185 CB HIS A 13 0.186 1.815 3.021 1.00 34.43 C ATOM 186 CG HIS A 13 -0.452 1.499 4.365 1.00 53.45 C ATOM 187 ND1 HIS A 13 0.121 0.643 5.287 1.00 54.23 N ATOM 188 CD2 HIS A 13 -1.611 1.915 4.930 1.00 63.43 C ATOM 189 CE1 HIS A 13 -0.660 0.553 6.347 1.00 25.21 C ATOM 190 NE2 HIS A 13 -1.716 1.315 6.155 1.00 21.13 N ATOM 0 H HIS A 13 -1.557 4.127 3.370 1.00 24.45 H new ATOM 0 HA HIS A 13 -0.067 2.893 1.164 1.00 34.23 H new ATOM 0 HB2 HIS A 13 0.372 0.876 2.499 1.00 34.43 H new ATOM 0 HB3 HIS A 13 1.157 2.277 3.201 1.00 34.43 H new ATOM 0 HD1 HIS A 13 1.009 0.157 5.167 1.00 54.23 H new ATOM 0 HD2 HIS A 13 -2.324 2.598 4.492 1.00 63.43 H new ATOM 0 HE1 HIS A 13 -0.465 -0.045 7.225 1.00 25.21 H new ATOM 199 N LEU A 14 -1.916 1.375 0.570 1.00 71.32 N ATOM 200 CA LEU A 14 -3.057 0.624 0.069 1.00 32.12 C ATOM 201 C LEU A 14 -2.657 -0.848 0.025 1.00 21.32 C ATOM 202 O LEU A 14 -1.509 -1.159 -0.277 1.00 31.33 O ATOM 203 CB LEU A 14 -3.444 1.144 -1.337 1.00 75.12 C ATOM 204 CG LEU A 14 -4.804 0.695 -1.909 1.00 41.23 C ATOM 205 CD1 LEU A 14 -5.241 1.638 -3.017 1.00 32.21 C ATOM 206 CD2 LEU A 14 -4.732 -0.723 -2.450 1.00 44.43 C ATOM 0 H LEU A 14 -1.084 1.298 -0.015 1.00 71.32 H new ATOM 0 HA LEU A 14 -3.926 0.747 0.716 1.00 32.12 H new ATOM 0 HB2 LEU A 14 -3.434 2.234 -1.308 1.00 75.12 H new ATOM 0 HB3 LEU A 14 -2.666 0.836 -2.036 1.00 75.12 H new ATOM 0 HG LEU A 14 -5.532 0.719 -1.098 1.00 41.23 H new ATOM 0 HD11 LEU A 14 -6.202 1.312 -3.414 1.00 32.21 H new ATOM 0 HD12 LEU A 14 -5.337 2.648 -2.619 1.00 32.21 H new ATOM 0 HD13 LEU A 14 -4.498 1.631 -3.815 1.00 32.21 H new ATOM 0 HD21 LEU A 14 -5.706 -1.011 -2.846 1.00 44.43 H new ATOM 0 HD22 LEU A 14 -3.988 -0.772 -3.245 1.00 44.43 H new ATOM 0 HD23 LEU A 14 -4.451 -1.405 -1.647 1.00 44.43 H new ATOM 218 N LEU A 15 -3.571 -1.746 0.348 1.00 21.14 N ATOM 219 CA LEU A 15 -3.233 -3.165 0.369 1.00 11.55 C ATOM 220 C LEU A 15 -4.228 -4.018 -0.395 1.00 42.50 C ATOM 221 O LEU A 15 -5.398 -4.108 -0.029 1.00 44.44 O ATOM 222 CB LEU A 15 -3.119 -3.680 1.805 1.00 4.43 C ATOM 223 CG LEU A 15 -2.893 -5.190 1.952 1.00 32.21 C ATOM 224 CD1 LEU A 15 -1.589 -5.608 1.306 1.00 5.51 C ATOM 225 CD2 LEU A 15 -2.911 -5.594 3.408 1.00 53.13 C ATOM 0 H LEU A 15 -4.536 -1.528 0.596 1.00 21.14 H new ATOM 0 HA LEU A 15 -2.268 -3.253 -0.130 1.00 11.55 H new ATOM 0 HB2 LEU A 15 -2.297 -3.158 2.295 1.00 4.43 H new ATOM 0 HB3 LEU A 15 -4.030 -3.413 2.341 1.00 4.43 H new ATOM 0 HG LEU A 15 -3.708 -5.702 1.440 1.00 32.21 H new ATOM 0 HD11 LEU A 15 -1.453 -6.683 1.424 1.00 5.51 H new ATOM 0 HD12 LEU A 15 -1.613 -5.360 0.245 1.00 5.51 H new ATOM 0 HD13 LEU A 15 -0.762 -5.083 1.783 1.00 5.51 H new ATOM 0 HD21 LEU A 15 -2.749 -6.669 3.489 1.00 53.13 H new ATOM 0 HD22 LEU A 15 -2.121 -5.066 3.942 1.00 53.13 H new ATOM 0 HD23 LEU A 15 -3.877 -5.339 3.845 1.00 53.13 H new ATOM 237 N VAL A 16 -3.747 -4.650 -1.444 1.00 12.43 N ATOM 238 CA VAL A 16 -4.545 -5.583 -2.211 1.00 55.34 C ATOM 239 C VAL A 16 -4.005 -6.990 -1.996 1.00 32.41 C ATOM 240 O VAL A 16 -2.843 -7.278 -2.305 1.00 43.14 O ATOM 241 CB VAL A 16 -4.543 -5.247 -3.727 1.00 12.43 C ATOM 242 CG1 VAL A 16 -5.296 -6.307 -4.519 1.00 53.23 C ATOM 243 CG2 VAL A 16 -5.155 -3.878 -3.970 1.00 52.21 C ATOM 0 H VAL A 16 -2.794 -4.532 -1.789 1.00 12.43 H new ATOM 0 HA VAL A 16 -5.576 -5.511 -1.864 1.00 55.34 H new ATOM 0 HB VAL A 16 -3.508 -5.234 -4.068 1.00 12.43 H new ATOM 0 HG11 VAL A 16 -5.281 -6.049 -5.578 1.00 53.23 H new ATOM 0 HG12 VAL A 16 -4.819 -7.276 -4.374 1.00 53.23 H new ATOM 0 HG13 VAL A 16 -6.328 -6.355 -4.172 1.00 53.23 H new ATOM 0 HG21 VAL A 16 -5.145 -3.659 -5.038 1.00 52.21 H new ATOM 0 HG22 VAL A 16 -6.183 -3.869 -3.607 1.00 52.21 H new ATOM 0 HG23 VAL A 16 -4.577 -3.122 -3.439 1.00 52.21 H new ATOM 253 N LYS A 17 -4.825 -7.847 -1.432 1.00 55.42 N ATOM 254 CA LYS A 17 -4.426 -9.213 -1.156 1.00 22.42 C ATOM 255 C LYS A 17 -4.723 -10.113 -2.348 1.00 4.00 C ATOM 256 O LYS A 17 -5.194 -9.653 -3.391 1.00 32.42 O ATOM 257 CB LYS A 17 -5.145 -9.737 0.085 1.00 61.41 C ATOM 258 CG LYS A 17 -4.896 -8.919 1.341 1.00 40.12 C ATOM 259 CD LYS A 17 -5.757 -9.409 2.492 1.00 75.05 C ATOM 260 CE LYS A 17 -5.580 -8.548 3.730 1.00 51.13 C ATOM 261 NZ LYS A 17 -4.219 -8.675 4.311 1.00 45.13 N ATOM 0 H LYS A 17 -5.780 -7.622 -1.153 1.00 55.42 H new ATOM 0 HA LYS A 17 -3.352 -9.222 -0.973 1.00 22.42 H new ATOM 0 HB2 LYS A 17 -6.217 -9.761 -0.113 1.00 61.41 H new ATOM 0 HB3 LYS A 17 -4.831 -10.765 0.266 1.00 61.41 H new ATOM 0 HG2 LYS A 17 -3.844 -8.982 1.617 1.00 40.12 H new ATOM 0 HG3 LYS A 17 -5.111 -7.869 1.143 1.00 40.12 H new ATOM 0 HD2 LYS A 17 -6.805 -9.403 2.191 1.00 75.05 H new ATOM 0 HD3 LYS A 17 -5.498 -10.442 2.726 1.00 75.05 H new ATOM 0 HE2 LYS A 17 -5.769 -7.505 3.475 1.00 51.13 H new ATOM 0 HE3 LYS A 17 -6.320 -8.833 4.478 1.00 51.13 H new ATOM 0 HZ1 LYS A 17 -4.043 -7.881 4.959 1.00 45.13 H new ATOM 0 HZ2 LYS A 17 -4.147 -9.571 4.834 1.00 45.13 H new ATOM 0 HZ3 LYS A 17 -3.513 -8.662 3.547 1.00 45.13 H new ATOM 275 N HIS A 18 -4.449 -11.393 -2.186 1.00 62.13 N ATOM 276 CA HIS A 18 -4.681 -12.373 -3.229 1.00 51.41 C ATOM 277 C HIS A 18 -4.871 -13.750 -2.615 1.00 21.14 C ATOM 278 O HIS A 18 -4.570 -13.949 -1.434 1.00 2.43 O ATOM 279 CB HIS A 18 -3.541 -12.371 -4.282 1.00 63.55 C ATOM 280 CG HIS A 18 -2.149 -12.540 -3.727 1.00 1.15 C ATOM 281 ND1 HIS A 18 -1.357 -13.629 -4.000 1.00 3.11 N ATOM 282 CD2 HIS A 18 -1.403 -11.727 -2.939 1.00 24.43 C ATOM 283 CE1 HIS A 18 -0.190 -13.482 -3.405 1.00 20.13 C ATOM 284 NE2 HIS A 18 -0.191 -12.337 -2.757 1.00 2.21 N ATOM 0 H HIS A 18 -4.059 -11.783 -1.328 1.00 62.13 H new ATOM 0 HA HIS A 18 -5.595 -12.101 -3.757 1.00 51.41 H new ATOM 0 HB2 HIS A 18 -3.729 -13.172 -4.997 1.00 63.55 H new ATOM 0 HB3 HIS A 18 -3.582 -11.433 -4.836 1.00 63.55 H new ATOM 0 HD1 HIS A 18 -1.630 -14.427 -4.574 1.00 3.11 H new ATOM 0 HD2 HIS A 18 -1.708 -10.775 -2.531 1.00 24.43 H new ATOM 0 HE1 HIS A 18 0.630 -14.184 -3.443 1.00 20.13 H new ATOM 293 N SER A 19 -5.365 -14.685 -3.414 1.00 23.04 N ATOM 294 CA SER A 19 -5.662 -16.039 -2.960 1.00 62.30 C ATOM 295 C SER A 19 -4.464 -16.709 -2.283 1.00 3.24 C ATOM 296 O SER A 19 -4.619 -17.380 -1.260 1.00 54.24 O ATOM 297 CB SER A 19 -6.162 -16.878 -4.134 1.00 31.11 C ATOM 298 OG SER A 19 -5.399 -16.623 -5.304 1.00 73.41 O ATOM 0 H SER A 19 -5.572 -14.527 -4.400 1.00 23.04 H new ATOM 0 HA SER A 19 -6.444 -15.969 -2.204 1.00 62.30 H new ATOM 0 HB2 SER A 19 -6.103 -17.936 -3.880 1.00 31.11 H new ATOM 0 HB3 SER A 19 -7.212 -16.654 -4.324 1.00 31.11 H new ATOM 0 HG SER A 19 -5.737 -17.173 -6.041 1.00 73.41 H new ATOM 304 N GLN A 20 -3.281 -16.521 -2.849 1.00 21.44 N ATOM 305 CA GLN A 20 -2.069 -17.094 -2.279 1.00 21.20 C ATOM 306 C GLN A 20 -1.677 -16.358 -0.999 1.00 53.51 C ATOM 307 O GLN A 20 -0.944 -15.366 -1.043 1.00 42.11 O ATOM 308 CB GLN A 20 -0.898 -17.044 -3.278 1.00 30.51 C ATOM 309 CG GLN A 20 -1.144 -17.749 -4.609 1.00 43.54 C ATOM 310 CD GLN A 20 -2.049 -16.962 -5.542 1.00 32.14 C ATOM 311 OE1 GLN A 20 -2.101 -15.728 -5.487 1.00 75.22 O ATOM 312 NE2 GLN A 20 -2.750 -17.659 -6.406 1.00 71.23 N ATOM 0 H GLN A 20 -3.134 -15.978 -3.700 1.00 21.44 H new ATOM 0 HA GLN A 20 -2.282 -18.137 -2.047 1.00 21.20 H new ATOM 0 HB2 GLN A 20 -0.657 -16.000 -3.478 1.00 30.51 H new ATOM 0 HB3 GLN A 20 -0.021 -17.489 -2.807 1.00 30.51 H new ATOM 0 HG2 GLN A 20 -0.188 -17.925 -5.102 1.00 43.54 H new ATOM 0 HG3 GLN A 20 -1.589 -18.726 -4.419 1.00 43.54 H new ATOM 0 HE21 GLN A 20 -2.678 -18.676 -6.418 1.00 71.23 H new ATOM 0 HE22 GLN A 20 -3.366 -17.183 -7.065 1.00 71.23 H new ATOM 321 N SER A 21 -2.199 -16.820 0.126 1.00 22.00 N ATOM 322 CA SER A 21 -1.894 -16.231 1.417 1.00 22.33 C ATOM 323 C SER A 21 -2.396 -17.131 2.546 1.00 35.11 C ATOM 324 O SER A 21 -3.179 -18.060 2.310 1.00 32.40 O ATOM 325 CB SER A 21 -2.518 -14.831 1.530 1.00 24.54 C ATOM 326 OG SER A 21 -3.916 -14.870 1.303 1.00 42.04 O ATOM 0 H SER A 21 -2.843 -17.610 0.169 1.00 22.00 H new ATOM 0 HA SER A 21 -0.812 -16.135 1.506 1.00 22.33 H new ATOM 0 HB2 SER A 21 -2.320 -14.421 2.520 1.00 24.54 H new ATOM 0 HB3 SER A 21 -2.049 -14.162 0.808 1.00 24.54 H new ATOM 0 HG SER A 21 -4.107 -14.575 0.388 1.00 42.04 H new ATOM 332 N ARG A 22 -1.955 -16.856 3.771 1.00 14.43 N ATOM 333 CA ARG A 22 -2.382 -17.648 4.920 1.00 33.21 C ATOM 334 C ARG A 22 -3.757 -17.194 5.411 1.00 52.14 C ATOM 335 O ARG A 22 -4.323 -17.777 6.330 1.00 54.34 O ATOM 336 CB ARG A 22 -1.347 -17.598 6.073 1.00 74.21 C ATOM 337 CG ARG A 22 -1.423 -16.365 6.982 1.00 63.52 C ATOM 338 CD ARG A 22 -0.996 -15.096 6.270 1.00 54.44 C ATOM 339 NE ARG A 22 -1.185 -13.911 7.106 1.00 51.45 N ATOM 340 CZ ARG A 22 -1.692 -12.761 6.670 1.00 22.51 C ATOM 341 NH1 ARG A 22 -1.990 -12.616 5.382 1.00 25.24 N ATOM 342 NH2 ARG A 22 -1.871 -11.747 7.511 1.00 50.02 N ATOM 0 H ARG A 22 -1.309 -16.099 3.992 1.00 14.43 H new ATOM 0 HA ARG A 22 -2.454 -18.684 4.590 1.00 33.21 H new ATOM 0 HB2 ARG A 22 -1.473 -18.489 6.689 1.00 74.21 H new ATOM 0 HB3 ARG A 22 -0.347 -17.647 5.642 1.00 74.21 H new ATOM 0 HG2 ARG A 22 -2.443 -16.248 7.347 1.00 63.52 H new ATOM 0 HG3 ARG A 22 -0.788 -16.520 7.854 1.00 63.52 H new ATOM 0 HD2 ARG A 22 0.053 -15.175 5.985 1.00 54.44 H new ATOM 0 HD3 ARG A 22 -1.569 -14.986 5.349 1.00 54.44 H new ATOM 0 HE ARG A 22 -0.910 -13.970 8.087 1.00 51.45 H new ATOM 0 HH11 ARG A 22 -1.830 -13.385 4.732 1.00 25.24 H new ATOM 0 HH12 ARG A 22 -2.379 -11.736 5.044 1.00 25.24 H new ATOM 0 HH21 ARG A 22 -1.619 -11.849 8.494 1.00 50.02 H new ATOM 0 HH22 ARG A 22 -2.260 -10.867 7.173 1.00 50.02 H new ATOM 356 N ARG A 23 -4.287 -16.154 4.784 1.00 2.22 N ATOM 357 CA ARG A 23 -5.591 -15.627 5.143 1.00 24.44 C ATOM 358 C ARG A 23 -6.139 -14.758 4.013 1.00 1.23 C ATOM 359 O ARG A 23 -5.855 -13.563 3.938 1.00 44.54 O ATOM 360 CB ARG A 23 -5.513 -14.829 6.457 1.00 51.02 C ATOM 361 CG ARG A 23 -6.862 -14.347 6.984 1.00 61.24 C ATOM 362 CD ARG A 23 -7.832 -15.503 7.206 1.00 3.12 C ATOM 363 NE ARG A 23 -7.277 -16.541 8.080 1.00 62.24 N ATOM 364 CZ ARG A 23 -7.678 -17.818 8.078 1.00 74.41 C ATOM 365 NH1 ARG A 23 -8.674 -18.207 7.284 1.00 31.22 N ATOM 366 NH2 ARG A 23 -7.096 -18.698 8.879 1.00 24.41 N ATOM 0 H ARG A 23 -3.829 -15.657 4.020 1.00 2.22 H new ATOM 0 HA ARG A 23 -6.273 -16.464 5.297 1.00 24.44 H new ATOM 0 HB2 ARG A 23 -5.041 -15.451 7.218 1.00 51.02 H new ATOM 0 HB3 ARG A 23 -4.866 -13.965 6.305 1.00 51.02 H new ATOM 0 HG2 ARG A 23 -6.715 -13.811 7.922 1.00 61.24 H new ATOM 0 HG3 ARG A 23 -7.296 -13.640 6.277 1.00 61.24 H new ATOM 0 HD2 ARG A 23 -8.755 -15.120 7.642 1.00 3.12 H new ATOM 0 HD3 ARG A 23 -8.093 -15.944 6.244 1.00 3.12 H new ATOM 0 HE ARG A 23 -6.539 -16.273 8.731 1.00 62.24 H new ATOM 0 HH11 ARG A 23 -9.134 -17.531 6.674 1.00 31.22 H new ATOM 0 HH12 ARG A 23 -8.977 -19.181 7.285 1.00 31.22 H new ATOM 0 HH21 ARG A 23 -6.341 -18.403 9.498 1.00 24.41 H new ATOM 0 HH22 ARG A 23 -7.403 -19.671 8.876 1.00 24.41 H new ATOM 380 N PRO A 24 -6.909 -15.361 3.101 1.00 21.54 N ATOM 381 CA PRO A 24 -7.501 -14.659 1.971 1.00 34.43 C ATOM 382 C PRO A 24 -8.863 -14.070 2.332 1.00 42.11 C ATOM 383 O PRO A 24 -9.878 -14.383 1.706 1.00 0.12 O ATOM 384 CB PRO A 24 -7.655 -15.776 0.944 1.00 71.45 C ATOM 385 CG PRO A 24 -7.946 -16.994 1.762 1.00 10.45 C ATOM 386 CD PRO A 24 -7.260 -16.797 3.096 1.00 20.45 C ATOM 0 HA PRO A 24 -6.904 -13.815 1.626 1.00 34.43 H new ATOM 0 HB2 PRO A 24 -8.464 -15.564 0.245 1.00 71.45 H new ATOM 0 HB3 PRO A 24 -6.747 -15.901 0.353 1.00 71.45 H new ATOM 0 HG2 PRO A 24 -9.020 -17.123 1.895 1.00 10.45 H new ATOM 0 HG3 PRO A 24 -7.576 -17.891 1.265 1.00 10.45 H new ATOM 0 HD2 PRO A 24 -7.919 -17.051 3.926 1.00 20.45 H new ATOM 0 HD3 PRO A 24 -6.375 -17.426 3.188 1.00 20.45 H new ATOM 394 N SER A 25 -8.877 -13.216 3.332 1.00 44.13 N ATOM 395 CA SER A 25 -10.106 -12.621 3.799 1.00 75.32 C ATOM 396 C SER A 25 -10.055 -11.102 3.701 1.00 33.31 C ATOM 397 O SER A 25 -9.026 -10.479 3.990 1.00 54.20 O ATOM 398 CB SER A 25 -10.370 -13.056 5.236 1.00 13.42 C ATOM 399 OG SER A 25 -10.325 -14.473 5.342 1.00 52.02 O ATOM 0 H SER A 25 -8.044 -12.918 3.839 1.00 44.13 H new ATOM 0 HA SER A 25 -10.922 -12.965 3.163 1.00 75.32 H new ATOM 0 HB2 SER A 25 -9.628 -12.612 5.899 1.00 13.42 H new ATOM 0 HB3 SER A 25 -11.345 -12.692 5.559 1.00 13.42 H new ATOM 0 HG SER A 25 -10.495 -14.737 6.270 1.00 52.02 H new ATOM 405 N SER A 26 -11.158 -10.519 3.283 1.00 61.31 N ATOM 406 CA SER A 26 -11.273 -9.086 3.139 1.00 23.31 C ATOM 407 C SER A 26 -12.469 -8.598 3.948 1.00 53.43 C ATOM 408 O SER A 26 -13.239 -9.404 4.478 1.00 52.23 O ATOM 409 CB SER A 26 -11.453 -8.730 1.653 1.00 53.34 C ATOM 410 OG SER A 26 -11.464 -7.326 1.438 1.00 70.42 O ATOM 0 H SER A 26 -12.004 -11.030 3.032 1.00 61.31 H new ATOM 0 HA SER A 26 -10.369 -8.602 3.508 1.00 23.31 H new ATOM 0 HB2 SER A 26 -10.647 -9.179 1.073 1.00 53.34 H new ATOM 0 HB3 SER A 26 -12.386 -9.160 1.288 1.00 53.34 H new ATOM 0 HG SER A 26 -10.821 -7.098 0.735 1.00 70.42 H new ATOM 416 N TRP A 27 -12.627 -7.295 4.052 1.00 20.32 N ATOM 417 CA TRP A 27 -13.756 -6.735 4.769 1.00 15.13 C ATOM 418 C TRP A 27 -14.898 -6.448 3.806 1.00 31.41 C ATOM 419 O TRP A 27 -16.034 -6.254 4.218 1.00 23.11 O ATOM 420 CB TRP A 27 -13.360 -5.456 5.517 1.00 11.14 C ATOM 421 CG TRP A 27 -12.906 -4.350 4.616 1.00 41.43 C ATOM 422 CD1 TRP A 27 -11.641 -4.126 4.183 1.00 23.02 C ATOM 423 CD2 TRP A 27 -13.716 -3.315 4.039 1.00 34.11 C ATOM 424 NE1 TRP A 27 -11.610 -3.029 3.370 1.00 74.22 N ATOM 425 CE2 TRP A 27 -12.868 -2.511 3.264 1.00 30.12 C ATOM 426 CE3 TRP A 27 -15.078 -2.996 4.101 1.00 73.32 C ATOM 427 CZ2 TRP A 27 -13.328 -1.406 2.553 1.00 11.21 C ATOM 428 CZ3 TRP A 27 -15.535 -1.900 3.396 1.00 42.52 C ATOM 429 CH2 TRP A 27 -14.662 -1.117 2.631 1.00 54.11 C ATOM 0 H TRP A 27 -11.991 -6.605 3.651 1.00 20.32 H new ATOM 0 HA TRP A 27 -14.085 -7.468 5.506 1.00 15.13 H new ATOM 0 HB2 TRP A 27 -14.211 -5.110 6.103 1.00 11.14 H new ATOM 0 HB3 TRP A 27 -12.562 -5.690 6.222 1.00 11.14 H new ATOM 0 HD1 TRP A 27 -10.783 -4.728 4.443 1.00 23.02 H new ATOM 0 HE1 TRP A 27 -10.778 -2.656 2.914 1.00 74.22 H new ATOM 0 HE3 TRP A 27 -15.758 -3.595 4.689 1.00 73.32 H new ATOM 0 HZ2 TRP A 27 -12.657 -0.800 1.962 1.00 11.21 H new ATOM 0 HZ3 TRP A 27 -16.583 -1.643 3.435 1.00 42.52 H new ATOM 0 HH2 TRP A 27 -15.051 -0.266 2.091 1.00 54.11 H new ATOM 440 N ARG A 28 -14.584 -6.415 2.515 1.00 12.33 N ATOM 441 CA ARG A 28 -15.596 -6.149 1.503 1.00 64.34 C ATOM 442 C ARG A 28 -16.006 -7.427 0.775 1.00 25.21 C ATOM 443 O ARG A 28 -16.986 -7.440 0.027 1.00 73.12 O ATOM 444 CB ARG A 28 -15.132 -5.069 0.514 1.00 24.25 C ATOM 445 CG ARG A 28 -13.828 -5.378 -0.210 1.00 1.54 C ATOM 446 CD ARG A 28 -13.491 -4.278 -1.211 1.00 14.14 C ATOM 447 NE ARG A 28 -14.547 -4.120 -2.217 1.00 23.41 N ATOM 448 CZ ARG A 28 -14.942 -2.952 -2.732 1.00 15.14 C ATOM 449 NH1 ARG A 28 -14.343 -1.816 -2.373 1.00 51.12 N ATOM 450 NH2 ARG A 28 -15.932 -2.923 -3.620 1.00 12.53 N ATOM 0 H ARG A 28 -13.645 -6.568 2.148 1.00 12.33 H new ATOM 0 HA ARG A 28 -16.477 -5.766 2.017 1.00 64.34 H new ATOM 0 HB2 ARG A 28 -15.915 -4.917 -0.229 1.00 24.25 H new ATOM 0 HB3 ARG A 28 -15.017 -4.129 1.053 1.00 24.25 H new ATOM 0 HG2 ARG A 28 -13.019 -5.477 0.514 1.00 1.54 H new ATOM 0 HG3 ARG A 28 -13.912 -6.334 -0.727 1.00 1.54 H new ATOM 0 HD2 ARG A 28 -13.348 -3.336 -0.682 1.00 14.14 H new ATOM 0 HD3 ARG A 28 -12.549 -4.512 -1.706 1.00 14.14 H new ATOM 0 HE ARG A 28 -15.014 -4.964 -2.548 1.00 23.41 H new ATOM 0 HH11 ARG A 28 -13.577 -1.834 -1.700 1.00 51.12 H new ATOM 0 HH12 ARG A 28 -14.651 -0.929 -2.771 1.00 51.12 H new ATOM 0 HH21 ARG A 28 -16.387 -3.790 -3.905 1.00 12.53 H new ATOM 0 HH22 ARG A 28 -16.236 -2.033 -4.015 1.00 12.53 H new ATOM 464 N GLN A 29 -15.258 -8.496 1.001 1.00 41.34 N ATOM 465 CA GLN A 29 -15.565 -9.796 0.422 1.00 13.23 C ATOM 466 C GLN A 29 -15.028 -10.895 1.323 1.00 74.32 C ATOM 467 O GLN A 29 -14.002 -10.716 1.981 1.00 71.23 O ATOM 468 CB GLN A 29 -15.002 -9.933 -1.004 1.00 43.01 C ATOM 469 CG GLN A 29 -13.495 -9.771 -1.111 1.00 24.14 C ATOM 470 CD GLN A 29 -12.974 -10.015 -2.519 1.00 73.24 C ATOM 471 OE1 GLN A 29 -11.846 -10.458 -2.705 1.00 10.02 O ATOM 472 NE2 GLN A 29 -13.790 -9.726 -3.517 1.00 31.31 N ATOM 0 H GLN A 29 -14.424 -8.488 1.588 1.00 41.34 H new ATOM 0 HA GLN A 29 -16.648 -9.890 0.347 1.00 13.23 H new ATOM 0 HB2 GLN A 29 -15.277 -10.912 -1.396 1.00 43.01 H new ATOM 0 HB3 GLN A 29 -15.480 -9.189 -1.641 1.00 43.01 H new ATOM 0 HG2 GLN A 29 -13.219 -8.765 -0.796 1.00 24.14 H new ATOM 0 HG3 GLN A 29 -13.010 -10.464 -0.424 1.00 24.14 H new ATOM 0 HE21 GLN A 29 -14.722 -9.359 -3.324 1.00 31.31 H new ATOM 0 HE22 GLN A 29 -13.488 -9.870 -4.481 1.00 31.31 H new ATOM 481 N GLU A 30 -15.720 -12.016 1.355 1.00 73.32 N ATOM 482 CA GLU A 30 -15.350 -13.117 2.227 1.00 13.24 C ATOM 483 C GLU A 30 -14.037 -13.769 1.794 1.00 23.20 C ATOM 484 O GLU A 30 -13.007 -13.608 2.454 1.00 21.24 O ATOM 485 CB GLU A 30 -16.470 -14.160 2.276 1.00 51.23 C ATOM 486 CG GLU A 30 -16.197 -15.320 3.222 1.00 25.41 C ATOM 487 CD GLU A 30 -17.310 -16.338 3.225 1.00 32.31 C ATOM 488 OE1 GLU A 30 -18.301 -16.139 3.960 1.00 15.04 O ATOM 489 OE2 GLU A 30 -17.209 -17.342 2.489 1.00 45.40 O ATOM 0 H GLU A 30 -16.547 -12.191 0.784 1.00 73.32 H new ATOM 0 HA GLU A 30 -15.201 -12.707 3.226 1.00 13.24 H new ATOM 0 HB2 GLU A 30 -17.396 -13.670 2.577 1.00 51.23 H new ATOM 0 HB3 GLU A 30 -16.630 -14.554 1.272 1.00 51.23 H new ATOM 0 HG2 GLU A 30 -15.265 -15.807 2.935 1.00 25.41 H new ATOM 0 HG3 GLU A 30 -16.058 -14.935 4.232 1.00 25.41 H new ATOM 496 N LYS A 31 -14.072 -14.489 0.690 1.00 74.33 N ATOM 497 CA LYS A 31 -12.904 -15.214 0.229 1.00 60.42 C ATOM 498 C LYS A 31 -12.271 -14.542 -0.974 1.00 73.14 C ATOM 499 O LYS A 31 -12.887 -14.433 -2.038 1.00 11.53 O ATOM 500 CB LYS A 31 -13.277 -16.660 -0.105 1.00 22.13 C ATOM 501 CG LYS A 31 -12.104 -17.518 -0.555 1.00 30.41 C ATOM 502 CD LYS A 31 -12.560 -18.916 -0.937 1.00 71.43 C ATOM 503 CE LYS A 31 -11.395 -19.776 -1.395 1.00 63.15 C ATOM 504 NZ LYS A 31 -11.828 -21.145 -1.766 1.00 64.00 N ATOM 0 H LYS A 31 -14.895 -14.588 0.096 1.00 74.33 H new ATOM 0 HA LYS A 31 -12.170 -15.212 1.035 1.00 60.42 H new ATOM 0 HB2 LYS A 31 -13.732 -17.118 0.773 1.00 22.13 H new ATOM 0 HB3 LYS A 31 -14.033 -16.656 -0.891 1.00 22.13 H new ATOM 0 HG2 LYS A 31 -11.612 -17.048 -1.406 1.00 30.41 H new ATOM 0 HG3 LYS A 31 -11.367 -17.579 0.245 1.00 30.41 H new ATOM 0 HD2 LYS A 31 -13.047 -19.387 -0.083 1.00 71.43 H new ATOM 0 HD3 LYS A 31 -13.302 -18.853 -1.733 1.00 71.43 H new ATOM 0 HE2 LYS A 31 -10.910 -19.305 -2.250 1.00 63.15 H new ATOM 0 HE3 LYS A 31 -10.652 -19.834 -0.600 1.00 63.15 H new ATOM 0 HZ1 LYS A 31 -11.003 -21.699 -2.073 1.00 64.00 H new ATOM 0 HZ2 LYS A 31 -12.267 -21.605 -0.943 1.00 64.00 H new ATOM 0 HZ3 LYS A 31 -12.518 -21.092 -2.543 1.00 64.00 H new ATOM 518 N ILE A 32 -11.048 -14.093 -0.799 1.00 21.23 N ATOM 519 CA ILE A 32 -10.296 -13.471 -1.865 1.00 21.33 C ATOM 520 C ILE A 32 -9.753 -14.546 -2.799 1.00 62.32 C ATOM 521 O ILE A 32 -8.795 -15.249 -2.463 1.00 34.22 O ATOM 522 CB ILE A 32 -9.121 -12.636 -1.307 1.00 64.54 C ATOM 523 CG1 ILE A 32 -9.638 -11.593 -0.312 1.00 24.03 C ATOM 524 CG2 ILE A 32 -8.348 -11.965 -2.436 1.00 30.11 C ATOM 525 CD1 ILE A 32 -8.547 -10.758 0.312 1.00 75.03 C ATOM 0 H ILE A 32 -10.547 -14.149 0.088 1.00 21.23 H new ATOM 0 HA ILE A 32 -10.964 -12.804 -2.409 1.00 21.33 H new ATOM 0 HB ILE A 32 -8.439 -13.307 -0.785 1.00 64.54 H new ATOM 0 HG12 ILE A 32 -10.341 -10.934 -0.822 1.00 24.03 H new ATOM 0 HG13 ILE A 32 -10.192 -12.100 0.478 1.00 24.03 H new ATOM 0 HG21 ILE A 32 -7.526 -11.383 -2.019 1.00 30.11 H new ATOM 0 HG22 ILE A 32 -7.950 -12.726 -3.107 1.00 30.11 H new ATOM 0 HG23 ILE A 32 -9.015 -11.305 -2.991 1.00 30.11 H new ATOM 0 HD11 ILE A 32 -8.988 -10.042 1.005 1.00 75.03 H new ATOM 0 HD12 ILE A 32 -7.856 -11.406 0.851 1.00 75.03 H new ATOM 0 HD13 ILE A 32 -8.007 -10.222 -0.469 1.00 75.03 H new ATOM 537 N THR A 33 -10.376 -14.692 -3.950 1.00 32.13 N ATOM 538 CA THR A 33 -9.975 -15.703 -4.905 1.00 32.21 C ATOM 539 C THR A 33 -9.157 -15.119 -6.053 1.00 24.52 C ATOM 540 O THR A 33 -8.735 -15.850 -6.958 1.00 1.34 O ATOM 541 CB THR A 33 -11.194 -16.464 -5.462 1.00 32.33 C ATOM 542 OG1 THR A 33 -12.257 -15.542 -5.760 1.00 31.54 O ATOM 543 CG2 THR A 33 -11.681 -17.502 -4.466 1.00 15.01 C ATOM 0 H THR A 33 -11.166 -14.120 -4.247 1.00 32.13 H new ATOM 0 HA THR A 33 -9.340 -16.404 -4.363 1.00 32.21 H new ATOM 0 HB THR A 33 -10.891 -16.974 -6.377 1.00 32.33 H new ATOM 0 HG1 THR A 33 -13.027 -16.034 -6.115 1.00 31.54 H new ATOM 0 HG21 THR A 33 -12.542 -18.027 -4.880 1.00 15.01 H new ATOM 0 HG22 THR A 33 -10.882 -18.216 -4.265 1.00 15.01 H new ATOM 0 HG23 THR A 33 -11.969 -17.009 -3.538 1.00 15.01 H new ATOM 551 N ARG A 34 -8.931 -13.810 -6.024 1.00 1.33 N ATOM 552 CA ARG A 34 -8.137 -13.165 -7.057 1.00 71.11 C ATOM 553 C ARG A 34 -6.679 -13.624 -6.944 1.00 71.15 C ATOM 554 O ARG A 34 -6.096 -13.614 -5.855 1.00 3.10 O ATOM 555 CB ARG A 34 -8.234 -11.625 -6.959 1.00 55.51 C ATOM 556 CG ARG A 34 -7.422 -11.013 -5.827 1.00 21.10 C ATOM 557 CD ARG A 34 -7.617 -9.509 -5.729 1.00 23.24 C ATOM 558 NE ARG A 34 -8.831 -9.151 -4.988 1.00 24.02 N ATOM 559 CZ ARG A 34 -8.821 -8.536 -3.796 1.00 23.13 C ATOM 560 NH1 ARG A 34 -7.670 -8.271 -3.197 1.00 0.42 N ATOM 561 NH2 ARG A 34 -9.960 -8.209 -3.197 1.00 61.34 N ATOM 0 H ARG A 34 -9.284 -13.182 -5.302 1.00 1.33 H new ATOM 0 HA ARG A 34 -8.530 -13.456 -8.031 1.00 71.11 H new ATOM 0 HB2 ARG A 34 -7.902 -11.192 -7.903 1.00 55.51 H new ATOM 0 HB3 ARG A 34 -9.280 -11.347 -6.831 1.00 55.51 H new ATOM 0 HG2 ARG A 34 -7.710 -11.477 -4.884 1.00 21.10 H new ATOM 0 HG3 ARG A 34 -6.365 -11.231 -5.981 1.00 21.10 H new ATOM 0 HD2 ARG A 34 -6.751 -9.064 -5.239 1.00 23.24 H new ATOM 0 HD3 ARG A 34 -7.668 -9.086 -6.732 1.00 23.24 H new ATOM 0 HE ARG A 34 -9.734 -9.383 -5.402 1.00 24.02 H new ATOM 0 HH11 ARG A 34 -6.791 -8.535 -3.642 1.00 0.42 H new ATOM 0 HH12 ARG A 34 -7.663 -7.803 -2.291 1.00 0.42 H new ATOM 0 HH21 ARG A 34 -10.851 -8.425 -3.643 1.00 61.34 H new ATOM 0 HH22 ARG A 34 -9.944 -7.742 -2.291 1.00 61.34 H new ATOM 575 N THR A 35 -6.106 -14.056 -8.046 1.00 20.03 N ATOM 576 CA THR A 35 -4.732 -14.515 -8.033 1.00 20.54 C ATOM 577 C THR A 35 -3.766 -13.322 -8.080 1.00 51.41 C ATOM 578 O THR A 35 -4.199 -12.163 -8.159 1.00 40.02 O ATOM 579 CB THR A 35 -4.442 -15.501 -9.200 1.00 3.04 C ATOM 580 OG1 THR A 35 -3.152 -16.105 -9.032 1.00 23.35 O ATOM 581 CG2 THR A 35 -4.497 -14.793 -10.542 1.00 62.42 C ATOM 0 H THR A 35 -6.565 -14.100 -8.956 1.00 20.03 H new ATOM 0 HA THR A 35 -4.575 -15.057 -7.101 1.00 20.54 H new ATOM 0 HB THR A 35 -5.211 -16.273 -9.181 1.00 3.04 H new ATOM 0 HG1 THR A 35 -2.982 -16.725 -9.772 1.00 23.35 H new ATOM 0 HG21 THR A 35 -4.290 -15.507 -11.339 1.00 62.42 H new ATOM 0 HG22 THR A 35 -5.489 -14.365 -10.687 1.00 62.42 H new ATOM 0 HG23 THR A 35 -3.751 -13.998 -10.565 1.00 62.42 H new ATOM 589 N LYS A 36 -2.471 -13.607 -8.034 1.00 12.24 N ATOM 590 CA LYS A 36 -1.449 -12.568 -8.031 1.00 12.44 C ATOM 591 C LYS A 36 -1.555 -11.666 -9.261 1.00 71.11 C ATOM 592 O LYS A 36 -1.531 -10.447 -9.140 1.00 33.40 O ATOM 593 CB LYS A 36 -0.051 -13.184 -7.947 1.00 72.33 C ATOM 594 CG LYS A 36 1.067 -12.155 -7.984 1.00 32.44 C ATOM 595 CD LYS A 36 2.427 -12.790 -7.790 1.00 22.44 C ATOM 596 CE LYS A 36 3.527 -11.742 -7.820 1.00 32.04 C ATOM 597 NZ LYS A 36 4.856 -12.327 -7.534 1.00 11.12 N ATOM 0 H LYS A 36 -2.101 -14.557 -7.998 1.00 12.24 H new ATOM 0 HA LYS A 36 -1.617 -11.951 -7.148 1.00 12.44 H new ATOM 0 HB2 LYS A 36 0.028 -13.762 -7.026 1.00 72.33 H new ATOM 0 HB3 LYS A 36 0.080 -13.882 -8.774 1.00 72.33 H new ATOM 0 HG2 LYS A 36 1.045 -11.629 -8.939 1.00 32.44 H new ATOM 0 HG3 LYS A 36 0.900 -11.410 -7.206 1.00 32.44 H new ATOM 0 HD2 LYS A 36 2.452 -13.321 -6.839 1.00 22.44 H new ATOM 0 HD3 LYS A 36 2.602 -13.529 -8.572 1.00 22.44 H new ATOM 0 HE2 LYS A 36 3.545 -11.262 -8.799 1.00 32.04 H new ATOM 0 HE3 LYS A 36 3.308 -10.965 -7.088 1.00 32.04 H new ATOM 0 HZ1 LYS A 36 5.578 -11.579 -7.564 1.00 11.12 H new ATOM 0 HZ2 LYS A 36 4.848 -12.763 -6.590 1.00 11.12 H new ATOM 0 HZ3 LYS A 36 5.077 -13.051 -8.247 1.00 11.12 H new ATOM 611 N GLU A 37 -1.692 -12.272 -10.431 1.00 33.05 N ATOM 612 CA GLU A 37 -1.782 -11.518 -11.682 1.00 12.02 C ATOM 613 C GLU A 37 -2.973 -10.562 -11.678 1.00 31.23 C ATOM 614 O GLU A 37 -2.886 -9.446 -12.189 1.00 45.43 O ATOM 615 CB GLU A 37 -1.851 -12.468 -12.870 1.00 4.32 C ATOM 616 CG GLU A 37 -0.583 -13.281 -13.059 1.00 31.50 C ATOM 617 CD GLU A 37 -0.681 -14.265 -14.199 1.00 51.00 C ATOM 618 OE1 GLU A 37 -0.700 -15.483 -13.936 1.00 10.11 O ATOM 619 OE2 GLU A 37 -0.745 -13.827 -15.362 1.00 52.11 O ATOM 0 H GLU A 37 -1.744 -13.284 -10.545 1.00 33.05 H new ATOM 0 HA GLU A 37 -0.880 -10.912 -11.773 1.00 12.02 H new ATOM 0 HB2 GLU A 37 -2.694 -13.146 -12.736 1.00 4.32 H new ATOM 0 HB3 GLU A 37 -2.045 -11.894 -13.776 1.00 4.32 H new ATOM 0 HG2 GLU A 37 0.253 -12.605 -13.240 1.00 31.50 H new ATOM 0 HG3 GLU A 37 -0.363 -13.821 -12.138 1.00 31.50 H new ATOM 626 N GLU A 38 -4.074 -10.993 -11.077 1.00 44.20 N ATOM 627 CA GLU A 38 -5.260 -10.155 -10.970 1.00 13.35 C ATOM 628 C GLU A 38 -4.980 -8.974 -10.057 1.00 23.30 C ATOM 629 O GLU A 38 -5.378 -7.843 -10.339 1.00 25.14 O ATOM 630 CB GLU A 38 -6.443 -10.961 -10.439 1.00 34.02 C ATOM 631 CG GLU A 38 -6.852 -12.109 -11.339 1.00 25.42 C ATOM 632 CD GLU A 38 -7.275 -11.648 -12.712 1.00 73.41 C ATOM 633 OE1 GLU A 38 -6.453 -11.722 -13.648 1.00 10.33 O ATOM 634 OE2 GLU A 38 -8.435 -11.218 -12.867 1.00 31.31 O ATOM 0 H GLU A 38 -4.170 -11.917 -10.657 1.00 44.20 H new ATOM 0 HA GLU A 38 -5.514 -9.785 -11.963 1.00 13.35 H new ATOM 0 HB2 GLU A 38 -6.190 -11.355 -9.455 1.00 34.02 H new ATOM 0 HB3 GLU A 38 -7.295 -10.294 -10.306 1.00 34.02 H new ATOM 0 HG2 GLU A 38 -6.019 -12.806 -11.434 1.00 25.42 H new ATOM 0 HG3 GLU A 38 -7.673 -12.655 -10.874 1.00 25.42 H new ATOM 641 N ALA A 39 -4.275 -9.246 -8.964 1.00 20.44 N ATOM 642 CA ALA A 39 -3.894 -8.211 -8.024 1.00 51.20 C ATOM 643 C ALA A 39 -2.971 -7.206 -8.697 1.00 43.42 C ATOM 644 O ALA A 39 -3.111 -6.002 -8.506 1.00 14.31 O ATOM 645 CB ALA A 39 -3.226 -8.822 -6.799 1.00 73.22 C ATOM 0 H ALA A 39 -3.957 -10.181 -8.711 1.00 20.44 H new ATOM 0 HA ALA A 39 -4.792 -7.689 -7.695 1.00 51.20 H new ATOM 0 HB1 ALA A 39 -2.947 -8.030 -6.104 1.00 73.22 H new ATOM 0 HB2 ALA A 39 -3.919 -9.506 -6.310 1.00 73.22 H new ATOM 0 HB3 ALA A 39 -2.333 -9.367 -7.105 1.00 73.22 H new ATOM 651 N LEU A 40 -2.037 -7.714 -9.508 1.00 52.35 N ATOM 652 CA LEU A 40 -1.111 -6.864 -10.255 1.00 20.12 C ATOM 653 C LEU A 40 -1.864 -5.893 -11.138 1.00 52.10 C ATOM 654 O LEU A 40 -1.530 -4.705 -11.197 1.00 21.33 O ATOM 655 CB LEU A 40 -0.169 -7.701 -11.123 1.00 74.13 C ATOM 656 CG LEU A 40 1.225 -7.960 -10.559 1.00 21.21 C ATOM 657 CD1 LEU A 40 1.938 -6.651 -10.263 1.00 41.11 C ATOM 658 CD2 LEU A 40 1.158 -8.825 -9.318 1.00 2.01 C ATOM 0 H LEU A 40 -1.904 -8.713 -9.662 1.00 52.35 H new ATOM 0 HA LEU A 40 -0.523 -6.309 -9.525 1.00 20.12 H new ATOM 0 HB2 LEU A 40 -0.645 -8.663 -11.313 1.00 74.13 H new ATOM 0 HB3 LEU A 40 -0.060 -7.203 -12.087 1.00 74.13 H new ATOM 0 HG LEU A 40 1.797 -8.499 -11.314 1.00 21.21 H new ATOM 0 HD11 LEU A 40 2.930 -6.860 -9.862 1.00 41.11 H new ATOM 0 HD12 LEU A 40 2.033 -6.072 -11.182 1.00 41.11 H new ATOM 0 HD13 LEU A 40 1.364 -6.081 -9.533 1.00 41.11 H new ATOM 0 HD21 LEU A 40 2.165 -8.994 -8.937 1.00 2.01 H new ATOM 0 HD22 LEU A 40 0.561 -8.323 -8.556 1.00 2.01 H new ATOM 0 HD23 LEU A 40 0.699 -9.782 -9.566 1.00 2.01 H new ATOM 670 N GLU A 41 -2.871 -6.401 -11.827 1.00 70.23 N ATOM 671 CA GLU A 41 -3.688 -5.579 -12.698 1.00 60.31 C ATOM 672 C GLU A 41 -4.369 -4.470 -11.915 1.00 5.40 C ATOM 673 O GLU A 41 -4.408 -3.319 -12.356 1.00 14.13 O ATOM 674 CB GLU A 41 -4.722 -6.431 -13.426 1.00 41.22 C ATOM 675 CG GLU A 41 -4.123 -7.341 -14.479 1.00 15.51 C ATOM 676 CD GLU A 41 -3.304 -6.576 -15.492 1.00 51.51 C ATOM 677 OE1 GLU A 41 -2.063 -6.702 -15.478 1.00 72.13 O ATOM 678 OE2 GLU A 41 -3.891 -5.825 -16.297 1.00 64.01 O ATOM 0 H GLU A 41 -3.142 -7.384 -11.799 1.00 70.23 H new ATOM 0 HA GLU A 41 -3.034 -5.120 -13.440 1.00 60.31 H new ATOM 0 HB2 GLU A 41 -5.260 -7.037 -12.697 1.00 41.22 H new ATOM 0 HB3 GLU A 41 -5.454 -5.775 -13.898 1.00 41.22 H new ATOM 0 HG2 GLU A 41 -3.495 -8.089 -13.996 1.00 15.51 H new ATOM 0 HG3 GLU A 41 -4.922 -7.878 -14.990 1.00 15.51 H new ATOM 685 N LEU A 42 -4.895 -4.817 -10.751 1.00 13.50 N ATOM 686 CA LEU A 42 -5.539 -3.845 -9.884 1.00 4.13 C ATOM 687 C LEU A 42 -4.534 -2.798 -9.425 1.00 24.44 C ATOM 688 O LEU A 42 -4.769 -1.598 -9.564 1.00 0.32 O ATOM 689 CB LEU A 42 -6.164 -4.539 -8.669 1.00 23.20 C ATOM 690 CG LEU A 42 -7.291 -5.528 -8.971 1.00 72.23 C ATOM 691 CD1 LEU A 42 -7.723 -6.247 -7.703 1.00 64.54 C ATOM 692 CD2 LEU A 42 -8.475 -4.812 -9.602 1.00 51.33 C ATOM 0 H LEU A 42 -4.888 -5.769 -10.384 1.00 13.50 H new ATOM 0 HA LEU A 42 -6.330 -3.352 -10.450 1.00 4.13 H new ATOM 0 HB2 LEU A 42 -5.377 -5.068 -8.132 1.00 23.20 H new ATOM 0 HB3 LEU A 42 -6.549 -3.773 -7.996 1.00 23.20 H new ATOM 0 HG LEU A 42 -6.917 -6.268 -9.679 1.00 72.23 H new ATOM 0 HD11 LEU A 42 -8.525 -6.947 -7.937 1.00 64.54 H new ATOM 0 HD12 LEU A 42 -6.876 -6.792 -7.287 1.00 64.54 H new ATOM 0 HD13 LEU A 42 -8.078 -5.518 -6.974 1.00 64.54 H new ATOM 0 HD21 LEU A 42 -9.267 -5.532 -9.810 1.00 51.33 H new ATOM 0 HD22 LEU A 42 -8.847 -4.051 -8.916 1.00 51.33 H new ATOM 0 HD23 LEU A 42 -8.161 -4.340 -10.533 1.00 51.33 H new ATOM 704 N ILE A 43 -3.402 -3.266 -8.903 1.00 73.14 N ATOM 705 CA ILE A 43 -2.345 -2.388 -8.405 1.00 25.33 C ATOM 706 C ILE A 43 -1.895 -1.398 -9.479 1.00 2.34 C ATOM 707 O ILE A 43 -1.918 -0.187 -9.260 1.00 73.34 O ATOM 708 CB ILE A 43 -1.120 -3.203 -7.904 1.00 22.15 C ATOM 709 CG1 ILE A 43 -1.507 -4.093 -6.717 1.00 65.43 C ATOM 710 CG2 ILE A 43 0.027 -2.280 -7.519 1.00 24.54 C ATOM 711 CD1 ILE A 43 -1.947 -3.324 -5.488 1.00 34.22 C ATOM 0 H ILE A 43 -3.192 -4.260 -8.813 1.00 73.14 H new ATOM 0 HA ILE A 43 -2.763 -1.832 -7.566 1.00 25.33 H new ATOM 0 HB ILE A 43 -0.787 -3.842 -8.722 1.00 22.15 H new ATOM 0 HG12 ILE A 43 -2.313 -4.760 -7.024 1.00 65.43 H new ATOM 0 HG13 ILE A 43 -0.656 -4.721 -6.454 1.00 65.43 H new ATOM 0 HG21 ILE A 43 0.872 -2.875 -7.172 1.00 24.54 H new ATOM 0 HG22 ILE A 43 0.329 -1.693 -8.387 1.00 24.54 H new ATOM 0 HG23 ILE A 43 -0.297 -1.610 -6.722 1.00 24.54 H new ATOM 0 HD11 ILE A 43 -2.204 -4.024 -4.693 1.00 34.22 H new ATOM 0 HD12 ILE A 43 -1.136 -2.677 -5.154 1.00 34.22 H new ATOM 0 HD13 ILE A 43 -2.819 -2.716 -5.732 1.00 34.22 H new ATOM 723 N ASN A 44 -1.516 -1.916 -10.646 1.00 22.43 N ATOM 724 CA ASN A 44 -1.056 -1.067 -11.751 1.00 22.34 C ATOM 725 C ASN A 44 -2.140 -0.095 -12.184 1.00 51.14 C ATOM 726 O ASN A 44 -1.850 1.039 -12.575 1.00 62.32 O ATOM 727 CB ASN A 44 -0.592 -1.909 -12.945 1.00 55.01 C ATOM 728 CG ASN A 44 0.801 -2.483 -12.751 1.00 1.23 C ATOM 729 OD1 ASN A 44 1.797 -1.842 -13.079 1.00 64.44 O ATOM 730 ND2 ASN A 44 0.881 -3.690 -12.225 1.00 34.43 N ATOM 0 H ASN A 44 -1.517 -2.915 -10.854 1.00 22.43 H new ATOM 0 HA ASN A 44 -0.204 -0.493 -11.385 1.00 22.34 H new ATOM 0 HB2 ASN A 44 -1.297 -2.724 -13.106 1.00 55.01 H new ATOM 0 HB3 ASN A 44 -0.605 -1.294 -13.845 1.00 55.01 H new ATOM 0 HD21 ASN A 44 1.793 -4.123 -12.078 1.00 34.43 H new ATOM 0 HD22 ASN A 44 0.031 -4.191 -11.965 1.00 34.43 H new ATOM 737 N GLY A 45 -3.389 -0.534 -12.093 1.00 33.11 N ATOM 738 CA GLY A 45 -4.504 0.316 -12.446 1.00 53.01 C ATOM 739 C GLY A 45 -4.576 1.546 -11.564 1.00 63.01 C ATOM 740 O GLY A 45 -4.844 2.651 -12.045 1.00 3.51 O ATOM 0 H GLY A 45 -3.648 -1.469 -11.779 1.00 33.11 H new ATOM 0 HA2 GLY A 45 -4.412 0.621 -13.488 1.00 53.01 H new ATOM 0 HA3 GLY A 45 -5.433 -0.248 -12.359 1.00 53.01 H new ATOM 744 N TYR A 46 -4.320 1.359 -10.275 1.00 64.34 N ATOM 745 CA TYR A 46 -4.339 2.464 -9.329 1.00 63.04 C ATOM 746 C TYR A 46 -3.087 3.312 -9.486 1.00 13.24 C ATOM 747 O TYR A 46 -3.157 4.533 -9.470 1.00 10.33 O ATOM 748 CB TYR A 46 -4.452 1.956 -7.884 1.00 14.43 C ATOM 749 CG TYR A 46 -5.612 1.015 -7.658 1.00 64.53 C ATOM 750 CD1 TYR A 46 -6.885 1.323 -8.123 1.00 2.22 C ATOM 751 CD2 TYR A 46 -5.434 -0.187 -6.987 1.00 34.31 C ATOM 752 CE1 TYR A 46 -7.942 0.460 -7.929 1.00 23.53 C ATOM 753 CE2 TYR A 46 -6.488 -1.056 -6.787 1.00 44.11 C ATOM 754 CZ TYR A 46 -7.739 -0.727 -7.261 1.00 74.21 C ATOM 755 OH TYR A 46 -8.787 -1.593 -7.074 1.00 51.10 O ATOM 0 H TYR A 46 -4.097 0.453 -9.863 1.00 64.34 H new ATOM 0 HA TYR A 46 -5.215 3.076 -9.544 1.00 63.04 H new ATOM 0 HB2 TYR A 46 -3.526 1.448 -7.614 1.00 14.43 H new ATOM 0 HB3 TYR A 46 -4.554 2.811 -7.215 1.00 14.43 H new ATOM 0 HD1 TYR A 46 -7.049 2.254 -8.645 1.00 2.22 H new ATOM 0 HD2 TYR A 46 -4.454 -0.447 -6.615 1.00 34.31 H new ATOM 0 HE1 TYR A 46 -8.924 0.713 -8.299 1.00 23.53 H new ATOM 0 HE2 TYR A 46 -6.333 -1.987 -6.263 1.00 44.11 H new ATOM 0 HH TYR A 46 -9.380 -1.243 -6.377 1.00 51.10 H new ATOM 765 N ILE A 47 -1.944 2.644 -9.662 1.00 41.45 N ATOM 766 CA ILE A 47 -0.651 3.320 -9.827 1.00 62.11 C ATOM 767 C ILE A 47 -0.703 4.374 -10.947 1.00 34.34 C ATOM 768 O ILE A 47 -0.107 5.456 -10.834 1.00 32.12 O ATOM 769 CB ILE A 47 0.485 2.298 -10.116 1.00 40.23 C ATOM 770 CG1 ILE A 47 0.712 1.393 -8.902 1.00 11.42 C ATOM 771 CG2 ILE A 47 1.776 3.005 -10.491 1.00 41.01 C ATOM 772 CD1 ILE A 47 1.807 0.365 -9.101 1.00 5.22 C ATOM 0 H ILE A 47 -1.887 1.626 -9.694 1.00 41.45 H new ATOM 0 HA ILE A 47 -0.435 3.828 -8.887 1.00 62.11 H new ATOM 0 HB ILE A 47 0.176 1.684 -10.962 1.00 40.23 H new ATOM 0 HG12 ILE A 47 0.961 2.013 -8.040 1.00 11.42 H new ATOM 0 HG13 ILE A 47 -0.219 0.877 -8.666 1.00 11.42 H new ATOM 0 HG21 ILE A 47 2.552 2.265 -10.687 1.00 41.01 H new ATOM 0 HG22 ILE A 47 1.614 3.608 -11.385 1.00 41.01 H new ATOM 0 HG23 ILE A 47 2.089 3.650 -9.670 1.00 41.01 H new ATOM 0 HD11 ILE A 47 1.908 -0.238 -8.199 1.00 5.22 H new ATOM 0 HD12 ILE A 47 1.552 -0.280 -9.942 1.00 5.22 H new ATOM 0 HD13 ILE A 47 2.750 0.872 -9.306 1.00 5.22 H new ATOM 784 N GLN A 48 -1.416 4.063 -12.017 1.00 11.34 N ATOM 785 CA GLN A 48 -1.568 5.005 -13.116 1.00 62.42 C ATOM 786 C GLN A 48 -2.451 6.178 -12.705 1.00 2.34 C ATOM 787 O GLN A 48 -2.122 7.338 -12.965 1.00 11.24 O ATOM 788 CB GLN A 48 -2.141 4.312 -14.354 1.00 74.42 C ATOM 789 CG GLN A 48 -1.198 3.297 -14.990 1.00 41.21 C ATOM 790 CD GLN A 48 0.082 3.926 -15.525 1.00 62.30 C ATOM 791 OE1 GLN A 48 0.572 4.931 -15.000 1.00 34.54 O ATOM 792 NE2 GLN A 48 0.629 3.344 -16.567 1.00 11.32 N ATOM 0 H GLN A 48 -1.896 3.173 -12.149 1.00 11.34 H new ATOM 0 HA GLN A 48 -0.580 5.390 -13.367 1.00 62.42 H new ATOM 0 HB2 GLN A 48 -3.068 3.809 -14.079 1.00 74.42 H new ATOM 0 HB3 GLN A 48 -2.397 5.069 -15.095 1.00 74.42 H new ATOM 0 HG2 GLN A 48 -0.942 2.536 -14.253 1.00 41.21 H new ATOM 0 HG3 GLN A 48 -1.715 2.790 -15.805 1.00 41.21 H new ATOM 0 HE21 GLN A 48 0.196 2.515 -16.974 1.00 11.32 H new ATOM 0 HE22 GLN A 48 1.487 3.721 -16.969 1.00 11.32 H new ATOM 801 N LYS A 49 -3.549 5.871 -12.031 1.00 41.13 N ATOM 802 CA LYS A 49 -4.492 6.889 -11.582 1.00 64.30 C ATOM 803 C LYS A 49 -3.855 7.837 -10.576 1.00 35.42 C ATOM 804 O LYS A 49 -4.175 9.024 -10.546 1.00 0.44 O ATOM 805 CB LYS A 49 -5.729 6.241 -10.969 1.00 71.02 C ATOM 806 CG LYS A 49 -6.611 5.532 -11.975 1.00 61.42 C ATOM 807 CD LYS A 49 -7.823 4.923 -11.303 1.00 75.41 C ATOM 808 CE LYS A 49 -8.815 4.396 -12.321 1.00 70.12 C ATOM 809 NZ LYS A 49 -10.022 3.841 -11.667 1.00 55.21 N ATOM 0 H LYS A 49 -3.812 4.918 -11.781 1.00 41.13 H new ATOM 0 HA LYS A 49 -4.786 7.468 -12.457 1.00 64.30 H new ATOM 0 HB2 LYS A 49 -5.414 5.526 -10.209 1.00 71.02 H new ATOM 0 HB3 LYS A 49 -6.316 7.007 -10.462 1.00 71.02 H new ATOM 0 HG2 LYS A 49 -6.932 6.237 -12.742 1.00 61.42 H new ATOM 0 HG3 LYS A 49 -6.040 4.752 -12.478 1.00 61.42 H new ATOM 0 HD2 LYS A 49 -7.508 4.112 -10.647 1.00 75.41 H new ATOM 0 HD3 LYS A 49 -8.307 5.671 -10.675 1.00 75.41 H new ATOM 0 HE2 LYS A 49 -9.104 5.200 -12.998 1.00 70.12 H new ATOM 0 HE3 LYS A 49 -8.341 3.624 -12.927 1.00 70.12 H new ATOM 0 HZ1 LYS A 49 -10.694 3.520 -12.393 1.00 55.21 H new ATOM 0 HZ2 LYS A 49 -9.752 3.037 -11.066 1.00 55.21 H new ATOM 0 HZ3 LYS A 49 -10.469 4.576 -11.082 1.00 55.21 H new ATOM 823 N ILE A 50 -2.962 7.310 -9.756 1.00 74.41 N ATOM 824 CA ILE A 50 -2.279 8.106 -8.749 1.00 4.43 C ATOM 825 C ILE A 50 -1.317 9.106 -9.399 1.00 20.03 C ATOM 826 O ILE A 50 -1.186 10.242 -8.944 1.00 21.20 O ATOM 827 CB ILE A 50 -1.509 7.205 -7.750 1.00 71.34 C ATOM 828 CG1 ILE A 50 -2.478 6.240 -7.057 1.00 2.33 C ATOM 829 CG2 ILE A 50 -0.776 8.052 -6.715 1.00 12.31 C ATOM 830 CD1 ILE A 50 -1.793 5.150 -6.263 1.00 40.01 C ATOM 0 H ILE A 50 -2.691 6.327 -9.768 1.00 74.41 H new ATOM 0 HA ILE A 50 -3.041 8.660 -8.200 1.00 4.43 H new ATOM 0 HB ILE A 50 -0.770 6.627 -8.304 1.00 71.34 H new ATOM 0 HG12 ILE A 50 -3.127 6.808 -6.391 1.00 2.33 H new ATOM 0 HG13 ILE A 50 -3.118 5.780 -7.810 1.00 2.33 H new ATOM 0 HG21 ILE A 50 -0.242 7.400 -6.024 1.00 12.31 H new ATOM 0 HG22 ILE A 50 -0.065 8.707 -7.218 1.00 12.31 H new ATOM 0 HG23 ILE A 50 -1.496 8.655 -6.162 1.00 12.31 H new ATOM 0 HD11 ILE A 50 -2.544 4.508 -5.803 1.00 40.01 H new ATOM 0 HD12 ILE A 50 -1.166 4.556 -6.927 1.00 40.01 H new ATOM 0 HD13 ILE A 50 -1.175 5.600 -5.486 1.00 40.01 H new ATOM 842 N LYS A 51 -0.658 8.689 -10.476 1.00 21.33 N ATOM 843 CA LYS A 51 0.272 9.573 -11.173 1.00 44.20 C ATOM 844 C LYS A 51 -0.472 10.604 -12.007 1.00 71.23 C ATOM 845 O LYS A 51 -0.108 11.778 -12.030 1.00 64.10 O ATOM 846 CB LYS A 51 1.241 8.788 -12.061 1.00 13.21 C ATOM 847 CG LYS A 51 2.245 7.946 -11.294 1.00 12.50 C ATOM 848 CD LYS A 51 3.385 7.477 -12.193 1.00 42.03 C ATOM 849 CE LYS A 51 2.906 6.526 -13.282 1.00 4.10 C ATOM 850 NZ LYS A 51 2.359 5.267 -12.723 1.00 72.12 N ATOM 0 H LYS A 51 -0.748 7.757 -10.881 1.00 21.33 H new ATOM 0 HA LYS A 51 0.851 10.090 -10.408 1.00 44.20 H new ATOM 0 HB2 LYS A 51 0.666 8.137 -12.720 1.00 13.21 H new ATOM 0 HB3 LYS A 51 1.782 9.489 -12.697 1.00 13.21 H new ATOM 0 HG2 LYS A 51 2.650 8.526 -10.465 1.00 12.50 H new ATOM 0 HG3 LYS A 51 1.741 7.081 -10.862 1.00 12.50 H new ATOM 0 HD2 LYS A 51 3.862 8.342 -12.653 1.00 42.03 H new ATOM 0 HD3 LYS A 51 4.142 6.980 -11.587 1.00 42.03 H new ATOM 0 HE2 LYS A 51 2.140 7.019 -13.881 1.00 4.10 H new ATOM 0 HE3 LYS A 51 3.735 6.295 -13.951 1.00 4.10 H new ATOM 0 HZ1 LYS A 51 1.878 4.733 -13.475 1.00 72.12 H new ATOM 0 HZ2 LYS A 51 3.135 4.694 -12.333 1.00 72.12 H new ATOM 0 HZ3 LYS A 51 1.679 5.489 -11.968 1.00 72.12 H new ATOM 864 N SER A 52 -1.513 10.161 -12.688 1.00 40.12 N ATOM 865 CA SER A 52 -2.305 11.044 -13.532 1.00 61.20 C ATOM 866 C SER A 52 -3.164 11.984 -12.685 1.00 10.24 C ATOM 867 O SER A 52 -3.490 13.096 -13.103 1.00 14.04 O ATOM 868 CB SER A 52 -3.186 10.214 -14.471 1.00 74.45 C ATOM 869 OG SER A 52 -3.901 11.036 -15.383 1.00 72.32 O ATOM 0 H SER A 52 -1.832 9.192 -12.674 1.00 40.12 H new ATOM 0 HA SER A 52 -1.627 11.655 -14.128 1.00 61.20 H new ATOM 0 HB2 SER A 52 -2.565 9.510 -15.025 1.00 74.45 H new ATOM 0 HB3 SER A 52 -3.890 9.624 -13.883 1.00 74.45 H new ATOM 0 HG SER A 52 -4.736 11.337 -14.967 1.00 72.32 H new ATOM 875 N GLY A 53 -3.513 11.537 -11.492 1.00 23.13 N ATOM 876 CA GLY A 53 -4.336 12.335 -10.620 1.00 15.23 C ATOM 877 C GLY A 53 -5.802 12.160 -10.930 1.00 53.12 C ATOM 878 O GLY A 53 -6.559 13.130 -10.961 1.00 61.23 O ATOM 0 H GLY A 53 -3.238 10.631 -11.112 1.00 23.13 H new ATOM 0 HA2 GLY A 53 -4.146 12.056 -9.583 1.00 15.23 H new ATOM 0 HA3 GLY A 53 -4.064 13.386 -10.722 1.00 15.23 H new ATOM 882 N GLU A 54 -6.199 10.921 -11.179 1.00 44.12 N ATOM 883 CA GLU A 54 -7.585 10.606 -11.490 1.00 54.35 C ATOM 884 C GLU A 54 -8.389 10.467 -10.209 1.00 55.31 C ATOM 885 O GLU A 54 -9.379 11.167 -9.998 1.00 75.14 O ATOM 886 CB GLU A 54 -7.674 9.309 -12.301 1.00 42.43 C ATOM 887 CG GLU A 54 -6.825 9.303 -13.561 1.00 4.14 C ATOM 888 CD GLU A 54 -7.191 10.412 -14.521 1.00 3.15 C ATOM 889 OE1 GLU A 54 -6.448 11.416 -14.589 1.00 50.10 O ATOM 890 OE2 GLU A 54 -8.221 10.289 -15.211 1.00 63.45 O ATOM 0 H GLU A 54 -5.577 10.113 -11.171 1.00 44.12 H new ATOM 0 HA GLU A 54 -7.997 11.420 -12.086 1.00 54.35 H new ATOM 0 HB2 GLU A 54 -7.370 8.476 -11.667 1.00 42.43 H new ATOM 0 HB3 GLU A 54 -8.714 9.137 -12.577 1.00 42.43 H new ATOM 0 HG2 GLU A 54 -5.775 9.399 -13.286 1.00 4.14 H new ATOM 0 HG3 GLU A 54 -6.936 8.342 -14.064 1.00 4.14 H new ATOM 897 N GLU A 55 -7.954 9.563 -9.358 1.00 73.12 N ATOM 898 CA GLU A 55 -8.606 9.336 -8.091 1.00 14.40 C ATOM 899 C GLU A 55 -7.636 9.610 -6.962 1.00 3.34 C ATOM 900 O GLU A 55 -6.415 9.520 -7.146 1.00 21.23 O ATOM 901 CB GLU A 55 -9.145 7.905 -8.003 1.00 22.12 C ATOM 902 CG GLU A 55 -10.241 7.599 -9.012 1.00 71.51 C ATOM 903 CD GLU A 55 -10.838 6.220 -8.832 1.00 23.14 C ATOM 904 OE1 GLU A 55 -11.754 6.069 -7.994 1.00 15.31 O ATOM 905 OE2 GLU A 55 -10.411 5.290 -9.531 1.00 54.02 O ATOM 0 H GLU A 55 -7.142 8.968 -9.526 1.00 73.12 H new ATOM 0 HA GLU A 55 -9.453 10.017 -8.006 1.00 14.40 H new ATOM 0 HB2 GLU A 55 -8.321 7.207 -8.152 1.00 22.12 H new ATOM 0 HB3 GLU A 55 -9.531 7.733 -6.998 1.00 22.12 H new ATOM 0 HG2 GLU A 55 -11.030 8.346 -8.922 1.00 71.51 H new ATOM 0 HG3 GLU A 55 -9.835 7.685 -10.020 1.00 71.51 H new ATOM 912 N ASP A 56 -8.166 9.956 -5.809 1.00 33.14 N ATOM 913 CA ASP A 56 -7.338 10.270 -4.658 1.00 70.52 C ATOM 914 C ASP A 56 -6.953 9.014 -3.914 1.00 33.41 C ATOM 915 O ASP A 56 -7.782 8.119 -3.716 1.00 60.04 O ATOM 916 CB ASP A 56 -8.046 11.248 -3.727 1.00 53.12 C ATOM 917 CG ASP A 56 -8.196 12.620 -4.342 1.00 4.53 C ATOM 918 OD1 ASP A 56 -9.252 12.891 -4.957 1.00 34.24 O ATOM 919 OD2 ASP A 56 -7.260 13.438 -4.214 1.00 14.40 O ATOM 0 H ASP A 56 -9.169 10.028 -5.640 1.00 33.14 H new ATOM 0 HA ASP A 56 -6.427 10.745 -5.021 1.00 70.52 H new ATOM 0 HB2 ASP A 56 -9.031 10.856 -3.474 1.00 53.12 H new ATOM 0 HB3 ASP A 56 -7.486 11.329 -2.795 1.00 53.12 H new ATOM 924 N PHE A 57 -5.701 8.957 -3.488 1.00 54.21 N ATOM 925 CA PHE A 57 -5.166 7.787 -2.812 1.00 24.14 C ATOM 926 C PHE A 57 -5.941 7.473 -1.542 1.00 44.21 C ATOM 927 O PHE A 57 -6.216 6.313 -1.256 1.00 22.21 O ATOM 928 CB PHE A 57 -3.685 7.977 -2.493 1.00 31.10 C ATOM 929 CG PHE A 57 -3.006 6.716 -2.038 1.00 23.34 C ATOM 930 CD1 PHE A 57 -2.908 6.408 -0.693 1.00 30.35 C ATOM 931 CD2 PHE A 57 -2.472 5.838 -2.959 1.00 32.23 C ATOM 932 CE1 PHE A 57 -2.290 5.247 -0.281 1.00 3.42 C ATOM 933 CE2 PHE A 57 -1.852 4.675 -2.554 1.00 4.30 C ATOM 934 CZ PHE A 57 -1.761 4.380 -1.212 1.00 33.14 C ATOM 0 H PHE A 57 -5.030 9.717 -3.601 1.00 54.21 H new ATOM 0 HA PHE A 57 -5.274 6.940 -3.490 1.00 24.14 H new ATOM 0 HB2 PHE A 57 -3.176 8.356 -3.379 1.00 31.10 H new ATOM 0 HB3 PHE A 57 -3.582 8.736 -1.718 1.00 31.10 H new ATOM 0 HD1 PHE A 57 -3.320 7.084 0.042 1.00 30.35 H new ATOM 0 HD2 PHE A 57 -2.541 6.065 -4.013 1.00 32.23 H new ATOM 0 HE1 PHE A 57 -2.220 5.017 0.772 1.00 3.42 H new ATOM 0 HE2 PHE A 57 -1.439 3.998 -3.287 1.00 4.30 H new ATOM 0 HZ PHE A 57 -1.276 3.471 -0.890 1.00 33.14 H new ATOM 944 N GLU A 58 -6.295 8.507 -0.785 1.00 35.23 N ATOM 945 CA GLU A 58 -7.061 8.324 0.446 1.00 35.11 C ATOM 946 C GLU A 58 -8.367 7.590 0.170 1.00 71.21 C ATOM 947 O GLU A 58 -8.731 6.663 0.889 1.00 45.11 O ATOM 948 CB GLU A 58 -7.352 9.663 1.110 1.00 21.33 C ATOM 949 CG GLU A 58 -6.146 10.308 1.758 1.00 11.33 C ATOM 950 CD GLU A 58 -6.492 11.606 2.450 1.00 72.24 C ATOM 951 OE1 GLU A 58 -7.111 11.560 3.536 1.00 23.11 O ATOM 952 OE2 GLU A 58 -6.158 12.680 1.915 1.00 23.12 O ATOM 0 H GLU A 58 -6.065 9.477 -1.000 1.00 35.23 H new ATOM 0 HA GLU A 58 -6.456 7.721 1.124 1.00 35.11 H new ATOM 0 HB2 GLU A 58 -7.758 10.346 0.364 1.00 21.33 H new ATOM 0 HB3 GLU A 58 -8.124 9.521 1.866 1.00 21.33 H new ATOM 0 HG2 GLU A 58 -5.712 9.618 2.481 1.00 11.33 H new ATOM 0 HG3 GLU A 58 -5.385 10.495 1.000 1.00 11.33 H new ATOM 959 N SER A 59 -9.053 8.000 -0.883 1.00 11.35 N ATOM 960 CA SER A 59 -10.307 7.380 -1.263 1.00 51.22 C ATOM 961 C SER A 59 -10.070 5.941 -1.728 1.00 21.41 C ATOM 962 O SER A 59 -10.842 5.035 -1.409 1.00 11.24 O ATOM 963 CB SER A 59 -10.985 8.201 -2.367 1.00 41.03 C ATOM 964 OG SER A 59 -12.274 7.697 -2.676 1.00 60.04 O ATOM 0 H SER A 59 -8.759 8.764 -1.492 1.00 11.35 H new ATOM 0 HA SER A 59 -10.966 7.354 -0.395 1.00 51.22 H new ATOM 0 HB2 SER A 59 -11.067 9.241 -2.050 1.00 41.03 H new ATOM 0 HB3 SER A 59 -10.365 8.189 -3.263 1.00 41.03 H new ATOM 0 HG SER A 59 -12.678 8.244 -3.382 1.00 60.04 H new ATOM 970 N LEU A 60 -8.985 5.736 -2.468 1.00 25.40 N ATOM 971 CA LEU A 60 -8.635 4.413 -2.967 1.00 14.43 C ATOM 972 C LEU A 60 -8.288 3.473 -1.815 1.00 3.25 C ATOM 973 O LEU A 60 -8.809 2.361 -1.727 1.00 2.32 O ATOM 974 CB LEU A 60 -7.452 4.500 -3.942 1.00 14.35 C ATOM 975 CG LEU A 60 -7.672 5.347 -5.199 1.00 33.23 C ATOM 976 CD1 LEU A 60 -6.406 5.390 -6.041 1.00 72.22 C ATOM 977 CD2 LEU A 60 -8.834 4.804 -6.015 1.00 23.41 C ATOM 0 H LEU A 60 -8.332 6.472 -2.735 1.00 25.40 H new ATOM 0 HA LEU A 60 -9.501 4.014 -3.495 1.00 14.43 H new ATOM 0 HB2 LEU A 60 -6.594 4.902 -3.404 1.00 14.35 H new ATOM 0 HB3 LEU A 60 -7.189 3.489 -4.252 1.00 14.35 H new ATOM 0 HG LEU A 60 -7.916 6.363 -4.888 1.00 33.23 H new ATOM 0 HD11 LEU A 60 -6.581 5.996 -6.930 1.00 72.22 H new ATOM 0 HD12 LEU A 60 -5.596 5.827 -5.457 1.00 72.22 H new ATOM 0 HD13 LEU A 60 -6.133 4.378 -6.340 1.00 72.22 H new ATOM 0 HD21 LEU A 60 -8.974 5.420 -6.904 1.00 23.41 H new ATOM 0 HD22 LEU A 60 -8.620 3.778 -6.314 1.00 23.41 H new ATOM 0 HD23 LEU A 60 -9.742 4.824 -5.413 1.00 23.41 H new ATOM 989 N ALA A 61 -7.426 3.938 -0.926 1.00 1.41 N ATOM 990 CA ALA A 61 -6.972 3.144 0.207 1.00 5.23 C ATOM 991 C ALA A 61 -8.113 2.811 1.158 1.00 72.43 C ATOM 992 O ALA A 61 -8.130 1.744 1.760 1.00 54.44 O ATOM 993 CB ALA A 61 -5.859 3.868 0.950 1.00 51.22 C ATOM 0 H ALA A 61 -7.021 4.873 -0.968 1.00 1.41 H new ATOM 0 HA ALA A 61 -6.585 2.204 -0.186 1.00 5.23 H new ATOM 0 HB1 ALA A 61 -5.531 3.262 1.794 1.00 51.22 H new ATOM 0 HB2 ALA A 61 -5.020 4.035 0.275 1.00 51.22 H new ATOM 0 HB3 ALA A 61 -6.228 4.827 1.314 1.00 51.22 H new ATOM 999 N SER A 62 -9.075 3.713 1.264 1.00 22.33 N ATOM 1000 CA SER A 62 -10.206 3.523 2.164 1.00 34.54 C ATOM 1001 C SER A 62 -11.285 2.619 1.553 1.00 10.13 C ATOM 1002 O SER A 62 -12.317 2.363 2.181 1.00 52.51 O ATOM 1003 CB SER A 62 -10.817 4.877 2.539 1.00 71.51 C ATOM 1004 OG SER A 62 -9.858 5.721 3.167 1.00 5.44 O ATOM 0 H SER A 62 -9.097 4.586 0.738 1.00 22.33 H new ATOM 0 HA SER A 62 -9.827 3.029 3.059 1.00 34.54 H new ATOM 0 HB2 SER A 62 -11.203 5.365 1.644 1.00 71.51 H new ATOM 0 HB3 SER A 62 -11.663 4.724 3.208 1.00 71.51 H new ATOM 0 HG SER A 62 -9.251 6.086 2.490 1.00 5.44 H new ATOM 1010 N GLN A 63 -11.054 2.131 0.340 1.00 1.01 N ATOM 1011 CA GLN A 63 -12.056 1.309 -0.331 1.00 31.43 C ATOM 1012 C GLN A 63 -11.481 0.022 -0.924 1.00 0.41 C ATOM 1013 O GLN A 63 -12.128 -1.026 -0.882 1.00 21.52 O ATOM 1014 CB GLN A 63 -12.757 2.115 -1.430 1.00 40.24 C ATOM 1015 CG GLN A 63 -13.604 3.269 -0.910 1.00 33.32 C ATOM 1016 CD GLN A 63 -14.292 4.048 -2.019 1.00 44.24 C ATOM 1017 OE1 GLN A 63 -13.653 4.140 -3.172 1.00 44.51 O flip ATOM 1018 NE2 GLN A 63 -15.391 4.570 -1.832 1.00 14.04 N flip ATOM 0 H GLN A 63 -10.198 2.286 -0.192 1.00 1.01 H new ATOM 0 HA GLN A 63 -12.774 1.015 0.435 1.00 31.43 H new ATOM 0 HB2 GLN A 63 -12.004 2.510 -2.113 1.00 40.24 H new ATOM 0 HB3 GLN A 63 -13.392 1.444 -2.009 1.00 40.24 H new ATOM 0 HG2 GLN A 63 -14.358 2.880 -0.226 1.00 33.32 H new ATOM 0 HG3 GLN A 63 -12.972 3.946 -0.336 1.00 33.32 H new ATOM 0 HE21 GLN A 63 -15.853 4.476 -0.927 1.00 14.04 H new ATOM 0 HE22 GLN A 63 -15.840 5.096 -2.582 1.00 14.04 H new ATOM 1027 N PHE A 64 -10.281 0.096 -1.474 1.00 0.44 N ATOM 1028 CA PHE A 64 -9.704 -1.053 -2.165 1.00 0.11 C ATOM 1029 C PHE A 64 -8.729 -1.855 -1.308 1.00 1.03 C ATOM 1030 O PHE A 64 -8.289 -2.929 -1.714 1.00 43.33 O ATOM 1031 CB PHE A 64 -9.046 -0.615 -3.469 1.00 4.04 C ATOM 1032 CG PHE A 64 -10.017 -0.003 -4.439 1.00 25.35 C ATOM 1033 CD1 PHE A 64 -11.014 -0.774 -5.018 1.00 62.00 C ATOM 1034 CD2 PHE A 64 -9.937 1.337 -4.771 1.00 10.14 C ATOM 1035 CE1 PHE A 64 -11.909 -0.218 -5.908 1.00 51.44 C ATOM 1036 CE2 PHE A 64 -10.830 1.898 -5.661 1.00 62.14 C ATOM 1037 CZ PHE A 64 -11.817 1.120 -6.230 1.00 65.33 C ATOM 0 H PHE A 64 -9.690 0.927 -1.459 1.00 0.44 H new ATOM 0 HA PHE A 64 -10.532 -1.726 -2.386 1.00 0.11 H new ATOM 0 HB2 PHE A 64 -8.258 0.105 -3.248 1.00 4.04 H new ATOM 0 HB3 PHE A 64 -8.568 -1.476 -3.936 1.00 4.04 H new ATOM 0 HD1 PHE A 64 -11.090 -1.822 -4.769 1.00 62.00 H new ATOM 0 HD2 PHE A 64 -9.167 1.952 -4.329 1.00 10.14 H new ATOM 0 HE1 PHE A 64 -12.681 -0.829 -6.352 1.00 51.44 H new ATOM 0 HE2 PHE A 64 -10.756 2.946 -5.912 1.00 62.14 H new ATOM 0 HZ PHE A 64 -12.517 1.558 -6.927 1.00 65.33 H new ATOM 1047 N SER A 65 -8.386 -1.347 -0.140 1.00 4.10 N ATOM 1048 CA SER A 65 -7.508 -2.087 0.751 1.00 30.32 C ATOM 1049 C SER A 65 -8.303 -3.166 1.473 1.00 4.42 C ATOM 1050 O SER A 65 -9.272 -2.865 2.154 1.00 52.21 O ATOM 1051 CB SER A 65 -6.842 -1.154 1.759 1.00 54.14 C ATOM 1052 OG SER A 65 -6.064 -0.168 1.102 1.00 1.13 O ATOM 0 H SER A 65 -8.695 -0.441 0.212 1.00 4.10 H new ATOM 0 HA SER A 65 -6.723 -2.555 0.158 1.00 30.32 H new ATOM 0 HB2 SER A 65 -7.604 -0.672 2.372 1.00 54.14 H new ATOM 0 HB3 SER A 65 -6.209 -1.732 2.432 1.00 54.14 H new ATOM 0 HG SER A 65 -6.452 0.717 1.265 1.00 1.13 H new ATOM 1058 N ASP A 66 -7.890 -4.421 1.310 1.00 25.41 N ATOM 1059 CA ASP A 66 -8.599 -5.566 1.914 1.00 11.32 C ATOM 1060 C ASP A 66 -8.451 -5.593 3.430 1.00 54.41 C ATOM 1061 O ASP A 66 -9.180 -6.306 4.125 1.00 24.43 O ATOM 1062 CB ASP A 66 -8.090 -6.894 1.344 1.00 44.45 C ATOM 1063 CG ASP A 66 -8.337 -7.049 -0.137 1.00 72.44 C ATOM 1064 OD1 ASP A 66 -9.515 -7.173 -0.544 1.00 21.02 O ATOM 1065 OD2 ASP A 66 -7.354 -7.069 -0.902 1.00 74.03 O ATOM 0 H ASP A 66 -7.067 -4.680 0.765 1.00 25.41 H new ATOM 0 HA ASP A 66 -9.653 -5.440 1.666 1.00 11.32 H new ATOM 0 HB2 ASP A 66 -7.020 -6.976 1.536 1.00 44.45 H new ATOM 0 HB3 ASP A 66 -8.573 -7.716 1.873 1.00 44.45 H new ATOM 1070 N CYS A 67 -7.506 -4.832 3.936 1.00 23.22 N ATOM 1071 CA CYS A 67 -7.246 -4.785 5.361 1.00 61.44 C ATOM 1072 C CYS A 67 -8.110 -3.733 6.045 1.00 71.40 C ATOM 1073 O CYS A 67 -8.691 -2.867 5.388 1.00 33.23 O ATOM 1074 CB CYS A 67 -5.773 -4.490 5.603 1.00 70.14 C ATOM 1075 SG CYS A 67 -5.155 -3.062 4.681 1.00 20.32 S ATOM 0 H CYS A 67 -6.899 -4.232 3.378 1.00 23.22 H new ATOM 0 HA CYS A 67 -7.498 -5.755 5.788 1.00 61.44 H new ATOM 0 HB2 CYS A 67 -5.616 -4.319 6.668 1.00 70.14 H new ATOM 0 HB3 CYS A 67 -5.187 -5.368 5.332 1.00 70.14 H new ATOM 0 HG CYS A 67 -3.895 -2.884 4.949 1.00 20.32 H new ATOM 1081 N SER A 68 -8.169 -3.798 7.371 1.00 23.42 N ATOM 1082 CA SER A 68 -8.946 -2.853 8.159 1.00 3.24 C ATOM 1083 C SER A 68 -8.353 -1.443 8.081 1.00 42.04 C ATOM 1084 O SER A 68 -8.977 -0.468 8.503 1.00 34.44 O ATOM 1085 CB SER A 68 -9.019 -3.326 9.605 1.00 11.12 C ATOM 1086 OG SER A 68 -7.731 -3.695 10.083 1.00 22.23 O ATOM 0 H SER A 68 -7.682 -4.503 7.925 1.00 23.42 H new ATOM 0 HA SER A 68 -9.954 -2.808 7.747 1.00 3.24 H new ATOM 0 HB2 SER A 68 -9.431 -2.534 10.231 1.00 11.12 H new ATOM 0 HB3 SER A 68 -9.697 -4.176 9.680 1.00 11.12 H new ATOM 0 HG SER A 68 -7.801 -3.994 11.014 1.00 22.23 H new ATOM 1092 N SER A 69 -7.150 -1.350 7.518 1.00 65.31 N ATOM 1093 CA SER A 69 -6.469 -0.084 7.335 1.00 62.44 C ATOM 1094 C SER A 69 -7.289 0.835 6.430 1.00 21.34 C ATOM 1095 O SER A 69 -7.127 2.052 6.459 1.00 53.33 O ATOM 1096 CB SER A 69 -5.069 -0.318 6.751 1.00 41.42 C ATOM 1097 OG SER A 69 -4.295 0.871 6.748 1.00 64.24 O ATOM 0 H SER A 69 -6.625 -2.155 7.178 1.00 65.31 H new ATOM 0 HA SER A 69 -6.361 0.403 8.304 1.00 62.44 H new ATOM 0 HB2 SER A 69 -4.556 -1.084 7.332 1.00 41.42 H new ATOM 0 HB3 SER A 69 -5.158 -0.696 5.733 1.00 41.42 H new ATOM 0 HG SER A 69 -3.404 0.681 6.387 1.00 64.24 H new ATOM 1103 N ALA A 70 -8.171 0.233 5.625 1.00 33.42 N ATOM 1104 CA ALA A 70 -9.054 0.986 4.747 1.00 44.34 C ATOM 1105 C ALA A 70 -9.931 1.936 5.558 1.00 15.14 C ATOM 1106 O ALA A 70 -10.163 3.075 5.165 1.00 72.21 O ATOM 1107 CB ALA A 70 -9.923 0.036 3.936 1.00 52.21 C ATOM 0 H ALA A 70 -8.288 -0.779 5.568 1.00 33.42 H new ATOM 0 HA ALA A 70 -8.442 1.575 4.064 1.00 44.34 H new ATOM 0 HB1 ALA A 70 -10.579 0.611 3.283 1.00 52.21 H new ATOM 0 HB2 ALA A 70 -9.288 -0.612 3.332 1.00 52.21 H new ATOM 0 HB3 ALA A 70 -10.525 -0.572 4.611 1.00 52.21 H new ATOM 1113 N LYS A 71 -10.395 1.467 6.707 1.00 52.43 N ATOM 1114 CA LYS A 71 -11.235 2.280 7.569 1.00 15.00 C ATOM 1115 C LYS A 71 -10.398 3.250 8.380 1.00 33.24 C ATOM 1116 O LYS A 71 -10.925 4.149 9.030 1.00 72.20 O ATOM 1117 CB LYS A 71 -12.091 1.406 8.483 1.00 52.31 C ATOM 1118 CG LYS A 71 -13.198 0.660 7.754 1.00 52.54 C ATOM 1119 CD LYS A 71 -14.198 1.622 7.135 1.00 25.23 C ATOM 1120 CE LYS A 71 -15.339 0.882 6.460 1.00 63.12 C ATOM 1121 NZ LYS A 71 -16.326 1.817 5.864 1.00 64.30 N ATOM 0 H LYS A 71 -10.204 0.530 7.062 1.00 52.43 H new ATOM 0 HA LYS A 71 -11.905 2.859 6.934 1.00 15.00 H new ATOM 0 HB2 LYS A 71 -11.448 0.684 8.986 1.00 52.31 H new ATOM 0 HB3 LYS A 71 -12.535 2.031 9.257 1.00 52.31 H new ATOM 0 HG2 LYS A 71 -12.765 0.032 6.976 1.00 52.54 H new ATOM 0 HG3 LYS A 71 -13.711 -0.004 8.450 1.00 52.54 H new ATOM 0 HD2 LYS A 71 -14.596 2.280 7.907 1.00 25.23 H new ATOM 0 HD3 LYS A 71 -13.692 2.255 6.406 1.00 25.23 H new ATOM 0 HE2 LYS A 71 -14.940 0.230 5.683 1.00 63.12 H new ATOM 0 HE3 LYS A 71 -15.838 0.242 7.188 1.00 63.12 H new ATOM 0 HZ1 LYS A 71 -17.090 1.274 5.413 1.00 64.30 H new ATOM 0 HZ2 LYS A 71 -16.725 2.422 6.610 1.00 64.30 H new ATOM 0 HZ3 LYS A 71 -15.855 2.411 5.152 1.00 64.30 H new ATOM 1135 N ALA A 72 -9.093 3.077 8.317 1.00 20.23 N ATOM 1136 CA ALA A 72 -8.165 3.951 9.004 1.00 15.04 C ATOM 1137 C ALA A 72 -7.637 5.011 8.040 1.00 23.53 C ATOM 1138 O ALA A 72 -6.628 5.665 8.313 1.00 21.20 O ATOM 1139 CB ALA A 72 -7.022 3.145 9.599 1.00 73.42 C ATOM 0 H ALA A 72 -8.647 2.327 7.789 1.00 20.23 H new ATOM 0 HA ALA A 72 -8.686 4.453 9.819 1.00 15.04 H new ATOM 0 HB1 ALA A 72 -6.333 3.815 10.112 1.00 73.42 H new ATOM 0 HB2 ALA A 72 -7.419 2.420 10.309 1.00 73.42 H new ATOM 0 HB3 ALA A 72 -6.493 2.621 8.803 1.00 73.42 H new ATOM 1145 N ARG A 73 -8.329 5.144 6.894 1.00 15.41 N ATOM 1146 CA ARG A 73 -8.022 6.142 5.847 1.00 32.32 C ATOM 1147 C ARG A 73 -6.846 5.710 4.965 1.00 4.10 C ATOM 1148 O ARG A 73 -6.705 6.174 3.835 1.00 72.42 O ATOM 1149 CB ARG A 73 -7.759 7.537 6.454 1.00 41.11 C ATOM 1150 CG ARG A 73 -7.789 8.671 5.442 1.00 71.25 C ATOM 1151 CD ARG A 73 -9.189 8.871 4.889 1.00 74.12 C ATOM 1152 NE ARG A 73 -9.243 9.918 3.876 1.00 33.23 N ATOM 1153 CZ ARG A 73 -10.313 10.167 3.120 1.00 4.20 C ATOM 1154 NH1 ARG A 73 -11.439 9.481 3.311 1.00 13.34 N ATOM 1155 NH2 ARG A 73 -10.263 11.108 2.183 1.00 10.04 N ATOM 0 H ARG A 73 -9.129 4.554 6.664 1.00 15.41 H new ATOM 0 HA ARG A 73 -8.905 6.206 5.211 1.00 32.32 H new ATOM 0 HB2 ARG A 73 -8.505 7.732 7.224 1.00 41.11 H new ATOM 0 HB3 ARG A 73 -6.787 7.530 6.946 1.00 41.11 H new ATOM 0 HG2 ARG A 73 -7.445 9.592 5.913 1.00 71.25 H new ATOM 0 HG3 ARG A 73 -7.100 8.453 4.626 1.00 71.25 H new ATOM 0 HD2 ARG A 73 -9.544 7.934 4.459 1.00 74.12 H new ATOM 0 HD3 ARG A 73 -9.866 9.124 5.705 1.00 74.12 H new ATOM 0 HE ARG A 73 -8.413 10.494 3.737 1.00 33.23 H new ATOM 0 HH11 ARG A 73 -11.483 8.765 4.036 1.00 13.34 H new ATOM 0 HH12 ARG A 73 -12.257 9.672 2.732 1.00 13.34 H new ATOM 0 HH21 ARG A 73 -9.405 11.641 2.041 1.00 10.04 H new ATOM 0 HH22 ARG A 73 -11.082 11.297 1.606 1.00 10.04 H new ATOM 1169 N GLY A 74 -6.015 4.824 5.480 1.00 21.33 N ATOM 1170 CA GLY A 74 -4.863 4.371 4.732 1.00 32.41 C ATOM 1171 C GLY A 74 -3.621 5.161 5.078 1.00 63.14 C ATOM 1172 O GLY A 74 -2.510 4.790 4.698 1.00 72.33 O ATOM 0 H GLY A 74 -6.116 4.408 6.406 1.00 21.33 H new ATOM 0 HA2 GLY A 74 -4.690 3.314 4.936 1.00 32.41 H new ATOM 0 HA3 GLY A 74 -5.065 4.461 3.665 1.00 32.41 H new ATOM 1176 N ASP A 75 -3.806 6.248 5.799 1.00 33.22 N ATOM 1177 CA ASP A 75 -2.699 7.094 6.213 1.00 24.11 C ATOM 1178 C ASP A 75 -2.413 6.874 7.686 1.00 60.33 C ATOM 1179 O ASP A 75 -3.338 6.700 8.485 1.00 50.43 O ATOM 1180 CB ASP A 75 -3.020 8.570 5.946 1.00 30.13 C ATOM 1181 CG ASP A 75 -1.878 9.503 6.314 1.00 70.13 C ATOM 1182 OD1 ASP A 75 -0.999 9.752 5.455 1.00 33.34 O ATOM 1183 OD2 ASP A 75 -1.856 9.998 7.462 1.00 74.40 O ATOM 0 H ASP A 75 -4.721 6.571 6.114 1.00 33.22 H new ATOM 0 HA ASP A 75 -1.815 6.828 5.634 1.00 24.11 H new ATOM 0 HB2 ASP A 75 -3.261 8.698 4.891 1.00 30.13 H new ATOM 0 HB3 ASP A 75 -3.908 8.851 6.512 1.00 30.13 H new ATOM 1188 N LEU A 76 -1.145 6.859 8.048 1.00 65.41 N ATOM 1189 CA LEU A 76 -0.759 6.627 9.431 1.00 65.21 C ATOM 1190 C LEU A 76 0.002 7.816 9.979 1.00 42.31 C ATOM 1191 O LEU A 76 0.671 7.713 11.014 1.00 41.53 O ATOM 1192 CB LEU A 76 0.106 5.362 9.559 1.00 73.32 C ATOM 1193 CG LEU A 76 -0.439 4.095 8.894 1.00 32.03 C ATOM 1194 CD1 LEU A 76 0.006 4.012 7.440 1.00 74.13 C ATOM 1195 CD2 LEU A 76 -0.010 2.859 9.666 1.00 23.13 C ATOM 0 H LEU A 76 -0.364 7.004 7.408 1.00 65.41 H new ATOM 0 HA LEU A 76 -1.673 6.488 10.009 1.00 65.21 H new ATOM 0 HB2 LEU A 76 1.088 5.575 9.136 1.00 73.32 H new ATOM 0 HB3 LEU A 76 0.254 5.155 10.619 1.00 73.32 H new ATOM 0 HG LEU A 76 -1.528 4.143 8.908 1.00 32.03 H new ATOM 0 HD11 LEU A 76 -0.393 3.104 6.989 1.00 74.13 H new ATOM 0 HD12 LEU A 76 -0.365 4.881 6.896 1.00 74.13 H new ATOM 0 HD13 LEU A 76 1.095 3.992 7.393 1.00 74.13 H new ATOM 0 HD21 LEU A 76 -0.407 1.969 9.178 1.00 23.13 H new ATOM 0 HD22 LEU A 76 1.078 2.805 9.690 1.00 23.13 H new ATOM 0 HD23 LEU A 76 -0.393 2.915 10.685 1.00 23.13 H new ATOM 1207 N GLY A 77 -0.117 8.947 9.299 1.00 31.32 N ATOM 1208 CA GLY A 77 0.601 10.129 9.702 1.00 44.12 C ATOM 1209 C GLY A 77 2.091 9.922 9.611 1.00 11.51 C ATOM 1210 O GLY A 77 2.563 9.123 8.797 1.00 32.12 O ATOM 0 H GLY A 77 -0.702 9.063 8.472 1.00 31.32 H new ATOM 0 HA2 GLY A 77 0.309 10.968 9.070 1.00 44.12 H new ATOM 0 HA3 GLY A 77 0.330 10.391 10.725 1.00 44.12 H new ATOM 1214 N ALA A 78 2.834 10.628 10.427 1.00 35.20 N ATOM 1215 CA ALA A 78 4.266 10.472 10.451 1.00 63.24 C ATOM 1216 C ALA A 78 4.635 9.265 11.303 1.00 72.22 C ATOM 1217 O ALA A 78 4.327 9.218 12.498 1.00 74.12 O ATOM 1218 CB ALA A 78 4.919 11.737 10.986 1.00 23.44 C ATOM 0 H ALA A 78 2.469 11.317 11.084 1.00 35.20 H new ATOM 0 HA ALA A 78 4.631 10.305 9.438 1.00 63.24 H new ATOM 0 HB1 ALA A 78 6.001 11.610 11.000 1.00 23.44 H new ATOM 0 HB2 ALA A 78 4.661 12.579 10.344 1.00 23.44 H new ATOM 0 HB3 ALA A 78 4.563 11.930 11.998 1.00 23.44 H new ATOM 1224 N PHE A 79 5.295 8.298 10.697 1.00 43.11 N ATOM 1225 CA PHE A 79 5.657 7.083 11.399 1.00 74.21 C ATOM 1226 C PHE A 79 7.161 6.871 11.416 1.00 34.03 C ATOM 1227 O PHE A 79 7.886 7.351 10.535 1.00 54.42 O ATOM 1228 CB PHE A 79 4.940 5.860 10.793 1.00 52.43 C ATOM 1229 CG PHE A 79 5.184 5.648 9.321 1.00 62.43 C ATOM 1230 CD1 PHE A 79 4.279 6.120 8.384 1.00 23.30 C ATOM 1231 CD2 PHE A 79 6.309 4.970 8.877 1.00 52.13 C ATOM 1232 CE1 PHE A 79 4.492 5.921 7.036 1.00 31.12 C ATOM 1233 CE2 PHE A 79 6.527 4.770 7.529 1.00 44.24 C ATOM 1234 CZ PHE A 79 5.616 5.245 6.608 1.00 12.52 C ATOM 0 H PHE A 79 5.591 8.330 9.721 1.00 43.11 H new ATOM 0 HA PHE A 79 5.329 7.196 12.432 1.00 74.21 H new ATOM 0 HB2 PHE A 79 5.257 4.967 11.332 1.00 52.43 H new ATOM 0 HB3 PHE A 79 3.868 5.967 10.957 1.00 52.43 H new ATOM 0 HD1 PHE A 79 3.397 6.650 8.713 1.00 23.30 H new ATOM 0 HD2 PHE A 79 7.023 4.594 9.595 1.00 52.13 H new ATOM 0 HE1 PHE A 79 3.779 6.294 6.316 1.00 31.12 H new ATOM 0 HE2 PHE A 79 7.409 4.243 7.196 1.00 44.24 H new ATOM 0 HZ PHE A 79 5.783 5.088 5.553 1.00 12.52 H new ATOM 1244 N SER A 80 7.624 6.168 12.432 1.00 14.33 N ATOM 1245 CA SER A 80 9.025 5.856 12.579 1.00 41.34 C ATOM 1246 C SER A 80 9.364 4.558 11.841 1.00 74.43 C ATOM 1247 O SER A 80 8.472 3.871 11.330 1.00 23.42 O ATOM 1248 CB SER A 80 9.372 5.743 14.060 1.00 1.53 C ATOM 1249 OG SER A 80 9.021 6.936 14.753 1.00 24.35 O ATOM 0 H SER A 80 7.035 5.798 13.178 1.00 14.33 H new ATOM 0 HA SER A 80 9.618 6.658 12.139 1.00 41.34 H new ATOM 0 HB2 SER A 80 8.846 4.894 14.498 1.00 1.53 H new ATOM 0 HB3 SER A 80 10.439 5.551 14.175 1.00 1.53 H new ATOM 0 HG SER A 80 9.250 6.843 15.701 1.00 24.35 H new ATOM 1255 N ARG A 81 10.644 4.219 11.803 1.00 41.51 N ATOM 1256 CA ARG A 81 11.107 3.042 11.076 1.00 55.11 C ATOM 1257 C ARG A 81 10.662 1.743 11.742 1.00 70.52 C ATOM 1258 O ARG A 81 10.219 0.810 11.068 1.00 53.53 O ATOM 1259 CB ARG A 81 12.629 3.063 10.934 1.00 4.34 C ATOM 1260 CG ARG A 81 13.156 4.241 10.135 1.00 70.45 C ATOM 1261 CD ARG A 81 14.649 4.125 9.885 1.00 2.53 C ATOM 1262 NE ARG A 81 14.978 2.962 9.059 1.00 54.20 N ATOM 1263 CZ ARG A 81 15.954 2.937 8.142 1.00 41.11 C ATOM 1264 NH1 ARG A 81 16.720 4.007 7.950 1.00 63.14 N ATOM 1265 NH2 ARG A 81 16.162 1.842 7.421 1.00 54.14 N ATOM 0 H ARG A 81 11.385 4.743 12.269 1.00 41.51 H new ATOM 0 HA ARG A 81 10.652 3.078 10.086 1.00 55.11 H new ATOM 0 HB2 ARG A 81 13.077 3.081 11.928 1.00 4.34 H new ATOM 0 HB3 ARG A 81 12.952 2.138 10.456 1.00 4.34 H new ATOM 0 HG2 ARG A 81 12.631 4.299 9.182 1.00 70.45 H new ATOM 0 HG3 ARG A 81 12.947 5.167 10.671 1.00 70.45 H new ATOM 0 HD2 ARG A 81 15.006 5.031 9.395 1.00 2.53 H new ATOM 0 HD3 ARG A 81 15.172 4.052 10.839 1.00 2.53 H new ATOM 0 HE ARG A 81 14.427 2.114 9.191 1.00 54.20 H new ATOM 0 HH11 ARG A 81 16.565 4.851 8.502 1.00 63.14 H new ATOM 0 HH12 ARG A 81 17.462 3.984 7.251 1.00 63.14 H new ATOM 0 HH21 ARG A 81 15.578 1.018 7.565 1.00 54.14 H new ATOM 0 HH22 ARG A 81 16.906 1.825 6.723 1.00 54.14 H new ATOM 1279 N GLY A 82 10.745 1.696 13.066 1.00 52.43 N ATOM 1280 CA GLY A 82 10.400 0.483 13.802 1.00 44.30 C ATOM 1281 C GLY A 82 8.899 0.223 13.890 1.00 2.53 C ATOM 1282 O GLY A 82 8.437 -0.466 14.801 1.00 25.44 O ATOM 0 H GLY A 82 11.046 2.477 13.650 1.00 52.43 H new ATOM 0 HA2 GLY A 82 10.880 -0.370 13.323 1.00 44.30 H new ATOM 0 HA3 GLY A 82 10.807 0.553 14.811 1.00 44.30 H new ATOM 1286 N GLN A 83 8.146 0.762 12.949 1.00 13.11 N ATOM 1287 CA GLN A 83 6.705 0.572 12.921 1.00 11.43 C ATOM 1288 C GLN A 83 6.283 -0.178 11.667 1.00 51.53 C ATOM 1289 O GLN A 83 5.160 -0.670 11.576 1.00 45.11 O ATOM 1290 CB GLN A 83 5.985 1.920 12.965 1.00 22.00 C ATOM 1291 CG GLN A 83 6.328 2.774 14.172 1.00 32.34 C ATOM 1292 CD GLN A 83 5.601 4.105 14.165 1.00 72.31 C ATOM 1293 OE1 GLN A 83 6.114 5.104 14.660 1.00 52.34 O ATOM 1294 NE2 GLN A 83 4.406 4.127 13.607 1.00 13.24 N ATOM 0 H GLN A 83 8.509 1.338 12.190 1.00 13.11 H new ATOM 0 HA GLN A 83 6.431 -0.014 13.798 1.00 11.43 H new ATOM 0 HB2 GLN A 83 6.227 2.477 12.060 1.00 22.00 H new ATOM 0 HB3 GLN A 83 4.909 1.744 12.953 1.00 22.00 H new ATOM 0 HG2 GLN A 83 6.075 2.230 15.082 1.00 32.34 H new ATOM 0 HG3 GLN A 83 7.403 2.951 14.195 1.00 32.34 H new ATOM 0 HE21 GLN A 83 4.014 3.275 13.206 1.00 13.24 H new ATOM 0 HE22 GLN A 83 3.874 4.996 13.576 1.00 13.24 H new ATOM 1303 N MET A 84 7.188 -0.276 10.706 1.00 43.42 N ATOM 1304 CA MET A 84 6.871 -0.900 9.429 1.00 32.02 C ATOM 1305 C MET A 84 7.774 -2.083 9.140 1.00 72.40 C ATOM 1306 O MET A 84 8.805 -2.266 9.789 1.00 54.04 O ATOM 1307 CB MET A 84 6.982 0.125 8.302 1.00 4.42 C ATOM 1308 CG MET A 84 5.955 1.240 8.383 1.00 41.24 C ATOM 1309 SD MET A 84 4.267 0.638 8.194 1.00 2.13 S ATOM 1310 CE MET A 84 3.353 2.168 8.346 1.00 21.43 C ATOM 0 H MET A 84 8.145 0.067 10.784 1.00 43.42 H new ATOM 0 HA MET A 84 5.847 -1.269 9.489 1.00 32.02 H new ATOM 0 HB2 MET A 84 7.981 0.562 8.318 1.00 4.42 H new ATOM 0 HB3 MET A 84 6.874 -0.387 7.346 1.00 4.42 H new ATOM 0 HG2 MET A 84 6.051 1.749 9.342 1.00 41.24 H new ATOM 0 HG3 MET A 84 6.163 1.978 7.608 1.00 41.24 H new ATOM 0 HE1 MET A 84 2.355 2.039 7.927 1.00 21.43 H new ATOM 0 HE2 MET A 84 3.272 2.441 9.398 1.00 21.43 H new ATOM 0 HE3 MET A 84 3.874 2.958 7.805 1.00 21.43 H new ATOM 1320 N GLN A 85 7.371 -2.890 8.165 1.00 22.42 N ATOM 1321 CA GLN A 85 8.144 -4.053 7.739 1.00 53.01 C ATOM 1322 C GLN A 85 9.393 -3.614 6.978 1.00 64.45 C ATOM 1323 O GLN A 85 9.457 -2.487 6.490 1.00 31.41 O ATOM 1324 CB GLN A 85 7.285 -4.963 6.858 1.00 15.34 C ATOM 1325 CG GLN A 85 6.125 -5.627 7.588 1.00 20.24 C ATOM 1326 CD GLN A 85 6.585 -6.504 8.738 1.00 62.42 C ATOM 1327 OE1 GLN A 85 6.871 -7.686 8.555 1.00 25.41 O ATOM 1328 NE2 GLN A 85 6.650 -5.937 9.926 1.00 34.23 N ATOM 0 H GLN A 85 6.502 -2.758 7.648 1.00 22.42 H new ATOM 0 HA GLN A 85 8.453 -4.607 8.625 1.00 53.01 H new ATOM 0 HB2 GLN A 85 6.890 -4.378 6.028 1.00 15.34 H new ATOM 0 HB3 GLN A 85 7.920 -5.738 6.428 1.00 15.34 H new ATOM 0 HG2 GLN A 85 5.452 -4.858 7.969 1.00 20.24 H new ATOM 0 HG3 GLN A 85 5.554 -6.230 6.882 1.00 20.24 H new ATOM 0 HE21 GLN A 85 6.404 -4.953 10.036 1.00 34.23 H new ATOM 0 HE22 GLN A 85 6.946 -6.482 10.736 1.00 34.23 H new ATOM 1337 N LYS A 86 10.370 -4.513 6.864 1.00 61.44 N ATOM 1338 CA LYS A 86 11.643 -4.205 6.189 1.00 42.44 C ATOM 1339 C LYS A 86 11.442 -3.644 4.762 1.00 12.22 C ATOM 1340 O LYS A 86 11.919 -2.543 4.466 1.00 12.34 O ATOM 1341 CB LYS A 86 12.579 -5.430 6.163 1.00 21.50 C ATOM 1342 CG LYS A 86 12.999 -5.928 7.542 1.00 60.22 C ATOM 1343 CD LYS A 86 13.766 -4.866 8.327 1.00 72.43 C ATOM 1344 CE LYS A 86 15.112 -4.544 7.689 1.00 50.34 C ATOM 1345 NZ LYS A 86 16.032 -5.707 7.716 1.00 2.51 N ATOM 0 H LYS A 86 10.310 -5.464 7.229 1.00 61.44 H new ATOM 0 HA LYS A 86 12.117 -3.420 6.779 1.00 42.44 H new ATOM 0 HB2 LYS A 86 12.081 -6.242 5.632 1.00 21.50 H new ATOM 0 HB3 LYS A 86 13.473 -5.178 5.593 1.00 21.50 H new ATOM 0 HG2 LYS A 86 12.114 -6.225 8.105 1.00 60.22 H new ATOM 0 HG3 LYS A 86 13.621 -6.817 7.432 1.00 60.22 H new ATOM 0 HD2 LYS A 86 13.167 -3.957 8.388 1.00 72.43 H new ATOM 0 HD3 LYS A 86 13.923 -5.213 9.348 1.00 72.43 H new ATOM 0 HE2 LYS A 86 14.958 -4.228 6.657 1.00 50.34 H new ATOM 0 HE3 LYS A 86 15.571 -3.706 8.214 1.00 50.34 H new ATOM 0 HZ1 LYS A 86 16.992 -5.396 7.463 1.00 2.51 H new ATOM 0 HZ2 LYS A 86 16.042 -6.120 8.670 1.00 2.51 H new ATOM 0 HZ3 LYS A 86 15.709 -6.421 7.033 1.00 2.51 H new ATOM 1359 N PRO A 87 10.730 -4.378 3.853 1.00 12.33 N ATOM 1360 CA PRO A 87 10.502 -3.907 2.478 1.00 14.13 C ATOM 1361 C PRO A 87 9.719 -2.594 2.445 1.00 52.31 C ATOM 1362 O PRO A 87 9.990 -1.717 1.620 1.00 32.53 O ATOM 1363 CB PRO A 87 9.684 -5.037 1.830 1.00 53.01 C ATOM 1364 CG PRO A 87 9.109 -5.802 2.971 1.00 51.13 C ATOM 1365 CD PRO A 87 10.114 -5.703 4.078 1.00 40.32 C ATOM 0 HA PRO A 87 11.438 -3.700 1.960 1.00 14.13 H new ATOM 0 HB2 PRO A 87 8.899 -4.637 1.188 1.00 53.01 H new ATOM 0 HB3 PRO A 87 10.313 -5.672 1.207 1.00 53.01 H new ATOM 0 HG2 PRO A 87 8.149 -5.386 3.276 1.00 51.13 H new ATOM 0 HG3 PRO A 87 8.932 -6.842 2.695 1.00 51.13 H new ATOM 0 HD2 PRO A 87 9.642 -5.767 5.058 1.00 40.32 H new ATOM 0 HD3 PRO A 87 10.851 -6.504 4.026 1.00 40.32 H new ATOM 1373 N PHE A 88 8.761 -2.461 3.357 1.00 42.12 N ATOM 1374 CA PHE A 88 7.937 -1.264 3.439 1.00 63.54 C ATOM 1375 C PHE A 88 8.797 -0.073 3.853 1.00 31.43 C ATOM 1376 O PHE A 88 8.735 0.987 3.241 1.00 2.34 O ATOM 1377 CB PHE A 88 6.794 -1.476 4.448 1.00 14.54 C ATOM 1378 CG PHE A 88 5.711 -0.422 4.401 1.00 3.15 C ATOM 1379 CD1 PHE A 88 5.922 0.845 4.923 1.00 15.34 C ATOM 1380 CD2 PHE A 88 4.476 -0.709 3.841 1.00 0.33 C ATOM 1381 CE1 PHE A 88 4.928 1.804 4.888 1.00 25.42 C ATOM 1382 CE2 PHE A 88 3.477 0.247 3.802 1.00 51.11 C ATOM 1383 CZ PHE A 88 3.705 1.505 4.327 1.00 52.40 C ATOM 0 H PHE A 88 8.537 -3.173 4.052 1.00 42.12 H new ATOM 0 HA PHE A 88 7.502 -1.062 2.460 1.00 63.54 H new ATOM 0 HB2 PHE A 88 6.342 -2.451 4.266 1.00 14.54 H new ATOM 0 HB3 PHE A 88 7.214 -1.502 5.453 1.00 14.54 H new ATOM 0 HD1 PHE A 88 6.878 1.086 5.364 1.00 15.34 H new ATOM 0 HD2 PHE A 88 4.292 -1.691 3.430 1.00 0.33 H new ATOM 0 HE1 PHE A 88 5.109 2.786 5.299 1.00 25.42 H new ATOM 0 HE2 PHE A 88 2.520 0.011 3.362 1.00 51.11 H new ATOM 0 HZ PHE A 88 2.926 2.253 4.298 1.00 52.40 H new ATOM 1393 N GLU A 89 9.606 -0.276 4.886 1.00 24.11 N ATOM 1394 CA GLU A 89 10.500 0.755 5.400 1.00 14.52 C ATOM 1395 C GLU A 89 11.440 1.261 4.307 1.00 11.41 C ATOM 1396 O GLU A 89 11.583 2.470 4.108 1.00 55.55 O ATOM 1397 CB GLU A 89 11.322 0.193 6.562 1.00 15.23 C ATOM 1398 CG GLU A 89 12.344 1.164 7.120 1.00 10.12 C ATOM 1399 CD GLU A 89 13.367 0.488 7.995 1.00 62.54 C ATOM 1400 OE1 GLU A 89 13.272 0.597 9.225 1.00 70.25 O ATOM 1401 OE2 GLU A 89 14.290 -0.145 7.454 1.00 51.35 O ATOM 0 H GLU A 89 9.661 -1.160 5.391 1.00 24.11 H new ATOM 0 HA GLU A 89 9.893 1.591 5.747 1.00 14.52 H new ATOM 0 HB2 GLU A 89 10.645 -0.105 7.362 1.00 15.23 H new ATOM 0 HB3 GLU A 89 11.836 -0.708 6.228 1.00 15.23 H new ATOM 0 HG2 GLU A 89 12.851 1.666 6.296 1.00 10.12 H new ATOM 0 HG3 GLU A 89 11.831 1.935 7.696 1.00 10.12 H new ATOM 1408 N ASP A 90 12.064 0.325 3.596 1.00 74.42 N ATOM 1409 CA ASP A 90 13.019 0.659 2.538 1.00 10.31 C ATOM 1410 C ASP A 90 12.373 1.533 1.474 1.00 54.32 C ATOM 1411 O ASP A 90 12.979 2.484 0.986 1.00 60.31 O ATOM 1412 CB ASP A 90 13.580 -0.618 1.896 1.00 71.13 C ATOM 1413 CG ASP A 90 14.636 -0.335 0.836 1.00 51.35 C ATOM 1414 OD1 ASP A 90 14.298 -0.311 -0.364 1.00 1.13 O ATOM 1415 OD2 ASP A 90 15.814 -0.147 1.199 1.00 73.24 O ATOM 0 H ASP A 90 11.926 -0.676 3.733 1.00 74.42 H new ATOM 0 HA ASP A 90 13.838 1.217 2.992 1.00 10.31 H new ATOM 0 HB2 ASP A 90 14.012 -1.249 2.673 1.00 71.13 H new ATOM 0 HB3 ASP A 90 12.763 -1.181 1.446 1.00 71.13 H new ATOM 1420 N ALA A 91 11.142 1.209 1.127 1.00 22.32 N ATOM 1421 CA ALA A 91 10.410 1.944 0.112 1.00 75.50 C ATOM 1422 C ALA A 91 9.892 3.287 0.636 1.00 71.25 C ATOM 1423 O ALA A 91 10.126 4.327 0.026 1.00 44.22 O ATOM 1424 CB ALA A 91 9.263 1.100 -0.409 1.00 64.34 C ATOM 0 H ALA A 91 10.623 0.433 1.538 1.00 22.32 H new ATOM 0 HA ALA A 91 11.100 2.162 -0.704 1.00 75.50 H new ATOM 0 HB1 ALA A 91 8.718 1.658 -1.170 1.00 64.34 H new ATOM 0 HB2 ALA A 91 9.656 0.181 -0.844 1.00 64.34 H new ATOM 0 HB3 ALA A 91 8.590 0.854 0.412 1.00 64.34 H new ATOM 1430 N ALA A 92 9.208 3.255 1.777 1.00 13.44 N ATOM 1431 CA ALA A 92 8.589 4.453 2.357 1.00 72.00 C ATOM 1432 C ALA A 92 9.608 5.545 2.665 1.00 22.23 C ATOM 1433 O ALA A 92 9.393 6.715 2.344 1.00 20.22 O ATOM 1434 CB ALA A 92 7.812 4.091 3.614 1.00 71.21 C ATOM 0 H ALA A 92 9.065 2.407 2.325 1.00 13.44 H new ATOM 0 HA ALA A 92 7.904 4.853 1.609 1.00 72.00 H new ATOM 0 HB1 ALA A 92 7.359 4.989 4.033 1.00 71.21 H new ATOM 0 HB2 ALA A 92 7.031 3.373 3.365 1.00 71.21 H new ATOM 0 HB3 ALA A 92 8.489 3.651 4.346 1.00 71.21 H new ATOM 1440 N PHE A 93 10.723 5.163 3.269 1.00 60.23 N ATOM 1441 CA PHE A 93 11.749 6.127 3.646 1.00 40.42 C ATOM 1442 C PHE A 93 12.638 6.506 2.465 1.00 53.33 C ATOM 1443 O PHE A 93 13.645 7.192 2.628 1.00 70.22 O ATOM 1444 CB PHE A 93 12.579 5.602 4.821 1.00 61.04 C ATOM 1445 CG PHE A 93 11.827 5.612 6.126 1.00 62.10 C ATOM 1446 CD1 PHE A 93 11.955 6.676 7.004 1.00 75.12 C ATOM 1447 CD2 PHE A 93 10.985 4.566 6.468 1.00 32.55 C ATOM 1448 CE1 PHE A 93 11.257 6.697 8.196 1.00 75.42 C ATOM 1449 CE2 PHE A 93 10.287 4.581 7.659 1.00 74.21 C ATOM 1450 CZ PHE A 93 10.422 5.649 8.524 1.00 24.14 C ATOM 0 H PHE A 93 10.941 4.196 3.509 1.00 60.23 H new ATOM 0 HA PHE A 93 11.242 7.038 3.966 1.00 40.42 H new ATOM 0 HB2 PHE A 93 12.903 4.584 4.603 1.00 61.04 H new ATOM 0 HB3 PHE A 93 13.479 6.209 4.922 1.00 61.04 H new ATOM 0 HD1 PHE A 93 12.608 7.499 6.754 1.00 75.12 H new ATOM 0 HD2 PHE A 93 10.873 3.729 5.795 1.00 32.55 H new ATOM 0 HE1 PHE A 93 11.365 7.533 8.871 1.00 75.42 H new ATOM 0 HE2 PHE A 93 9.636 3.758 7.914 1.00 74.21 H new ATOM 0 HZ PHE A 93 9.875 5.664 9.455 1.00 24.14 H new ATOM 1460 N ALA A 94 12.255 6.067 1.279 1.00 32.34 N ATOM 1461 CA ALA A 94 12.976 6.408 0.068 1.00 20.05 C ATOM 1462 C ALA A 94 12.089 7.240 -0.846 1.00 42.53 C ATOM 1463 O ALA A 94 12.436 7.507 -2.000 1.00 10.33 O ATOM 1464 CB ALA A 94 13.447 5.152 -0.647 1.00 43.20 C ATOM 0 H ALA A 94 11.442 5.469 1.130 1.00 32.34 H new ATOM 0 HA ALA A 94 13.854 6.995 0.337 1.00 20.05 H new ATOM 0 HB1 ALA A 94 13.986 5.429 -1.553 1.00 43.20 H new ATOM 0 HB2 ALA A 94 14.108 4.586 0.009 1.00 43.20 H new ATOM 0 HB3 ALA A 94 12.585 4.539 -0.911 1.00 43.20 H new ATOM 1470 N LEU A 95 10.943 7.647 -0.324 1.00 72.23 N ATOM 1471 CA LEU A 95 9.996 8.441 -1.083 1.00 62.14 C ATOM 1472 C LEU A 95 9.960 9.869 -0.577 1.00 55.40 C ATOM 1473 O LEU A 95 9.725 10.109 0.606 1.00 61.44 O ATOM 1474 CB LEU A 95 8.589 7.853 -0.981 1.00 52.55 C ATOM 1475 CG LEU A 95 8.410 6.420 -1.457 1.00 54.21 C ATOM 1476 CD1 LEU A 95 6.968 5.990 -1.275 1.00 75.42 C ATOM 1477 CD2 LEU A 95 8.832 6.279 -2.910 1.00 23.54 C ATOM 0 H LEU A 95 10.647 7.438 0.629 1.00 72.23 H new ATOM 0 HA LEU A 95 10.324 8.430 -2.122 1.00 62.14 H new ATOM 0 HB2 LEU A 95 8.273 7.907 0.061 1.00 52.55 H new ATOM 0 HB3 LEU A 95 7.913 8.488 -1.553 1.00 52.55 H new ATOM 0 HG LEU A 95 9.048 5.771 -0.857 1.00 54.21 H new ATOM 0 HD11 LEU A 95 6.849 4.962 -1.618 1.00 75.42 H new ATOM 0 HD12 LEU A 95 6.700 6.054 -0.220 1.00 75.42 H new ATOM 0 HD13 LEU A 95 6.317 6.644 -1.855 1.00 75.42 H new ATOM 0 HD21 LEU A 95 8.696 5.246 -3.230 1.00 23.54 H new ATOM 0 HD22 LEU A 95 8.222 6.935 -3.531 1.00 23.54 H new ATOM 0 HD23 LEU A 95 9.881 6.555 -3.013 1.00 23.54 H new ATOM 1489 N ARG A 96 10.204 10.806 -1.464 1.00 33.44 N ATOM 1490 CA ARG A 96 10.101 12.213 -1.137 1.00 35.14 C ATOM 1491 C ARG A 96 8.686 12.693 -1.428 1.00 23.10 C ATOM 1492 O ARG A 96 7.907 11.969 -2.050 1.00 44.41 O ATOM 1493 CB ARG A 96 11.115 13.017 -1.942 1.00 15.34 C ATOM 1494 CG ARG A 96 12.559 12.713 -1.587 1.00 42.54 C ATOM 1495 CD ARG A 96 13.518 13.418 -2.527 1.00 2.30 C ATOM 1496 NE ARG A 96 13.307 14.867 -2.544 1.00 0.13 N ATOM 1497 CZ ARG A 96 13.936 15.706 -3.366 1.00 12.24 C ATOM 1498 NH1 ARG A 96 14.844 15.246 -4.227 1.00 10.22 N ATOM 1499 NH2 ARG A 96 13.662 17.003 -3.322 1.00 22.02 N ATOM 0 H ARG A 96 10.478 10.618 -2.428 1.00 33.44 H new ATOM 0 HA ARG A 96 10.317 12.357 -0.078 1.00 35.14 H new ATOM 0 HB2 ARG A 96 10.962 12.819 -3.003 1.00 15.34 H new ATOM 0 HB3 ARG A 96 10.928 14.080 -1.786 1.00 15.34 H new ATOM 0 HG2 ARG A 96 12.757 13.025 -0.561 1.00 42.54 H new ATOM 0 HG3 ARG A 96 12.728 11.637 -1.632 1.00 42.54 H new ATOM 0 HD2 ARG A 96 14.543 13.205 -2.225 1.00 2.30 H new ATOM 0 HD3 ARG A 96 13.394 13.022 -3.535 1.00 2.30 H new ATOM 0 HE ARG A 96 12.635 15.259 -1.884 1.00 0.13 H new ATOM 0 HH11 ARG A 96 15.059 14.249 -4.258 1.00 10.22 H new ATOM 0 HH12 ARG A 96 15.324 15.891 -4.855 1.00 10.22 H new ATOM 0 HH21 ARG A 96 12.971 17.356 -2.660 1.00 22.02 H new ATOM 0 HH22 ARG A 96 14.142 17.647 -3.950 1.00 22.02 H new ATOM 1513 N THR A 97 8.351 13.893 -0.973 1.00 64.30 N ATOM 1514 CA THR A 97 7.013 14.451 -1.164 1.00 4.22 C ATOM 1515 C THR A 97 6.595 14.427 -2.640 1.00 32.44 C ATOM 1516 O THR A 97 7.088 15.218 -3.451 1.00 63.42 O ATOM 1517 CB THR A 97 6.944 15.900 -0.648 1.00 4.42 C ATOM 1518 OG1 THR A 97 7.463 15.961 0.687 1.00 23.41 O ATOM 1519 CG2 THR A 97 5.510 16.408 -0.658 1.00 53.22 C ATOM 0 H THR A 97 8.990 14.505 -0.465 1.00 64.30 H new ATOM 0 HA THR A 97 6.326 13.826 -0.594 1.00 4.22 H new ATOM 0 HB THR A 97 7.542 16.530 -1.306 1.00 4.42 H new ATOM 0 HG1 THR A 97 6.765 15.697 1.322 1.00 23.41 H new ATOM 0 HG21 THR A 97 5.485 17.434 -0.290 1.00 53.22 H new ATOM 0 HG22 THR A 97 5.121 16.378 -1.676 1.00 53.22 H new ATOM 0 HG23 THR A 97 4.896 15.777 -0.016 1.00 53.22 H new ATOM 1527 N GLY A 98 5.702 13.509 -2.982 1.00 5.43 N ATOM 1528 CA GLY A 98 5.239 13.410 -4.347 1.00 15.54 C ATOM 1529 C GLY A 98 5.626 12.103 -5.003 1.00 52.01 C ATOM 1530 O GLY A 98 5.125 11.771 -6.079 1.00 44.50 O ATOM 0 H GLY A 98 5.292 12.833 -2.338 1.00 5.43 H new ATOM 0 HA2 GLY A 98 4.154 13.514 -4.366 1.00 15.54 H new ATOM 0 HA3 GLY A 98 5.649 14.237 -4.926 1.00 15.54 H new ATOM 1534 N GLU A 99 6.514 11.356 -4.370 1.00 41.35 N ATOM 1535 CA GLU A 99 6.958 10.088 -4.922 1.00 54.40 C ATOM 1536 C GLU A 99 6.070 8.940 -4.477 1.00 34.52 C ATOM 1537 O GLU A 99 5.442 8.990 -3.411 1.00 14.20 O ATOM 1538 CB GLU A 99 8.406 9.790 -4.545 1.00 12.41 C ATOM 1539 CG GLU A 99 9.413 10.751 -5.135 1.00 13.32 C ATOM 1540 CD GLU A 99 10.831 10.271 -4.949 1.00 42.45 C ATOM 1541 OE1 GLU A 99 11.378 9.644 -5.883 1.00 51.11 O ATOM 1542 OE2 GLU A 99 11.401 10.497 -3.872 1.00 12.34 O ATOM 0 H GLU A 99 6.940 11.604 -3.477 1.00 41.35 H new ATOM 0 HA GLU A 99 6.889 10.181 -6.006 1.00 54.40 H new ATOM 0 HB2 GLU A 99 8.497 9.808 -3.459 1.00 12.41 H new ATOM 0 HB3 GLU A 99 8.653 8.779 -4.869 1.00 12.41 H new ATOM 0 HG2 GLU A 99 9.211 10.880 -6.198 1.00 13.32 H new ATOM 0 HG3 GLU A 99 9.297 11.729 -4.668 1.00 13.32 H new ATOM 1549 N MET A 100 6.027 7.915 -5.295 1.00 54.31 N ATOM 1550 CA MET A 100 5.255 6.729 -5.013 1.00 21.12 C ATOM 1551 C MET A 100 6.093 5.502 -5.307 1.00 2.01 C ATOM 1552 O MET A 100 6.678 5.390 -6.383 1.00 22.42 O ATOM 1553 CB MET A 100 3.983 6.710 -5.858 1.00 22.13 C ATOM 1554 CG MET A 100 3.150 5.450 -5.686 1.00 63.34 C ATOM 1555 SD MET A 100 1.648 5.472 -6.675 1.00 64.50 S ATOM 1556 CE MET A 100 2.317 5.799 -8.300 1.00 72.25 C ATOM 0 H MET A 100 6.531 7.881 -6.181 1.00 54.31 H new ATOM 0 HA MET A 100 4.970 6.730 -3.961 1.00 21.12 H new ATOM 0 HB2 MET A 100 3.373 7.576 -5.599 1.00 22.13 H new ATOM 0 HB3 MET A 100 4.254 6.814 -6.909 1.00 22.13 H new ATOM 0 HG2 MET A 100 3.749 4.582 -5.962 1.00 63.34 H new ATOM 0 HG3 MET A 100 2.886 5.334 -4.635 1.00 63.34 H new ATOM 0 HE1 MET A 100 1.580 5.531 -9.057 1.00 72.25 H new ATOM 0 HE2 MET A 100 2.559 6.858 -8.388 1.00 72.25 H new ATOM 0 HE3 MET A 100 3.220 5.207 -8.447 1.00 72.25 H new ATOM 1566 N SER A 101 6.154 4.593 -4.355 1.00 1.04 N ATOM 1567 CA SER A 101 6.947 3.391 -4.511 1.00 13.45 C ATOM 1568 C SER A 101 6.333 2.485 -5.566 1.00 62.03 C ATOM 1569 O SER A 101 7.005 2.062 -6.508 1.00 52.22 O ATOM 1570 CB SER A 101 7.060 2.650 -3.174 1.00 42.22 C ATOM 1571 OG SER A 101 7.927 1.541 -3.277 1.00 40.32 O ATOM 0 H SER A 101 5.663 4.664 -3.464 1.00 1.04 H new ATOM 0 HA SER A 101 7.947 3.675 -4.837 1.00 13.45 H new ATOM 0 HB2 SER A 101 7.427 3.332 -2.407 1.00 42.22 H new ATOM 0 HB3 SER A 101 6.073 2.315 -2.856 1.00 42.22 H new ATOM 0 HG SER A 101 7.582 0.804 -2.731 1.00 40.32 H new ATOM 1577 N GLY A 102 5.052 2.223 -5.422 1.00 21.23 N ATOM 1578 CA GLY A 102 4.376 1.359 -6.346 1.00 25.51 C ATOM 1579 C GLY A 102 3.949 0.072 -5.686 1.00 20.01 C ATOM 1580 O GLY A 102 3.374 0.101 -4.598 1.00 52.20 O ATOM 0 H GLY A 102 4.466 2.597 -4.676 1.00 21.23 H new ATOM 0 HA2 GLY A 102 3.502 1.869 -6.751 1.00 25.51 H new ATOM 0 HA3 GLY A 102 5.033 1.138 -7.187 1.00 25.51 H new ATOM 1584 N PRO A 103 4.230 -1.074 -6.309 1.00 45.01 N ATOM 1585 CA PRO A 103 3.844 -2.366 -5.781 1.00 65.13 C ATOM 1586 C PRO A 103 4.887 -2.965 -4.825 1.00 5.05 C ATOM 1587 O PRO A 103 5.961 -3.400 -5.246 1.00 53.52 O ATOM 1588 CB PRO A 103 3.721 -3.219 -7.042 1.00 34.22 C ATOM 1589 CG PRO A 103 4.715 -2.639 -8.004 1.00 52.10 C ATOM 1590 CD PRO A 103 4.945 -1.198 -7.593 1.00 73.14 C ATOM 0 HA PRO A 103 2.934 -2.307 -5.184 1.00 65.13 H new ATOM 0 HB2 PRO A 103 3.940 -4.266 -6.833 1.00 34.22 H new ATOM 0 HB3 PRO A 103 2.710 -3.179 -7.448 1.00 34.22 H new ATOM 0 HG2 PRO A 103 5.649 -3.201 -7.978 1.00 52.10 H new ATOM 0 HG3 PRO A 103 4.339 -2.693 -9.026 1.00 52.10 H new ATOM 0 HD2 PRO A 103 6.007 -0.980 -7.481 1.00 73.14 H new ATOM 0 HD3 PRO A 103 4.553 -0.504 -8.336 1.00 73.14 H new ATOM 1598 N VAL A 104 4.577 -2.956 -3.543 1.00 4.34 N ATOM 1599 CA VAL A 104 5.429 -3.581 -2.546 1.00 54.32 C ATOM 1600 C VAL A 104 4.858 -4.950 -2.200 1.00 75.33 C ATOM 1601 O VAL A 104 3.831 -5.054 -1.517 1.00 73.13 O ATOM 1602 CB VAL A 104 5.545 -2.723 -1.264 1.00 4.51 C ATOM 1603 CG1 VAL A 104 6.476 -3.379 -0.251 1.00 31.43 C ATOM 1604 CG2 VAL A 104 6.027 -1.321 -1.604 1.00 53.03 C ATOM 0 H VAL A 104 3.736 -2.520 -3.164 1.00 4.34 H new ATOM 0 HA VAL A 104 6.431 -3.678 -2.964 1.00 54.32 H new ATOM 0 HB VAL A 104 4.555 -2.650 -0.814 1.00 4.51 H new ATOM 0 HG11 VAL A 104 6.540 -2.756 0.641 1.00 31.43 H new ATOM 0 HG12 VAL A 104 6.086 -4.360 0.019 1.00 31.43 H new ATOM 0 HG13 VAL A 104 7.468 -3.491 -0.688 1.00 31.43 H new ATOM 0 HG21 VAL A 104 6.103 -0.731 -0.691 1.00 53.03 H new ATOM 0 HG22 VAL A 104 7.005 -1.378 -2.081 1.00 53.03 H new ATOM 0 HG23 VAL A 104 5.319 -0.848 -2.284 1.00 53.03 H new ATOM 1614 N PHE A 105 5.508 -5.986 -2.685 1.00 53.31 N ATOM 1615 CA PHE A 105 5.018 -7.345 -2.520 1.00 14.41 C ATOM 1616 C PHE A 105 5.395 -7.936 -1.170 1.00 72.15 C ATOM 1617 O PHE A 105 6.574 -8.045 -0.828 1.00 14.30 O ATOM 1618 CB PHE A 105 5.543 -8.238 -3.645 1.00 31.30 C ATOM 1619 CG PHE A 105 5.179 -7.752 -5.017 1.00 33.10 C ATOM 1620 CD1 PHE A 105 5.986 -6.843 -5.680 1.00 74.30 C ATOM 1621 CD2 PHE A 105 4.033 -8.201 -5.641 1.00 22.23 C ATOM 1622 CE1 PHE A 105 5.655 -6.391 -6.938 1.00 12.11 C ATOM 1623 CE2 PHE A 105 3.696 -7.753 -6.901 1.00 73.23 C ATOM 1624 CZ PHE A 105 4.509 -6.846 -7.550 1.00 44.54 C ATOM 0 H PHE A 105 6.385 -5.916 -3.202 1.00 53.31 H new ATOM 0 HA PHE A 105 3.930 -7.301 -2.565 1.00 14.41 H new ATOM 0 HB2 PHE A 105 6.628 -8.305 -3.568 1.00 31.30 H new ATOM 0 HB3 PHE A 105 5.151 -9.246 -3.510 1.00 31.30 H new ATOM 0 HD1 PHE A 105 6.887 -6.484 -5.204 1.00 74.30 H new ATOM 0 HD2 PHE A 105 3.393 -8.911 -5.137 1.00 22.23 H new ATOM 0 HE1 PHE A 105 6.293 -5.681 -7.443 1.00 12.11 H new ATOM 0 HE2 PHE A 105 2.797 -8.112 -7.379 1.00 73.23 H new ATOM 0 HZ PHE A 105 4.246 -6.494 -8.537 1.00 44.54 H new ATOM 1634 N THR A 106 4.381 -8.303 -0.408 1.00 1.04 N ATOM 1635 CA THR A 106 4.563 -8.964 0.866 1.00 51.00 C ATOM 1636 C THR A 106 3.655 -10.181 0.910 1.00 33.33 C ATOM 1637 O THR A 106 2.759 -10.312 0.074 1.00 22.20 O ATOM 1638 CB THR A 106 4.224 -8.036 2.056 1.00 74.24 C ATOM 1639 OG1 THR A 106 2.872 -7.586 1.953 1.00 33.21 O ATOM 1640 CG2 THR A 106 5.160 -6.834 2.101 1.00 1.44 C ATOM 0 H THR A 106 3.404 -8.149 -0.659 1.00 1.04 H new ATOM 0 HA THR A 106 5.611 -9.248 0.957 1.00 51.00 H new ATOM 0 HB THR A 106 4.352 -8.607 2.976 1.00 74.24 H new ATOM 0 HG1 THR A 106 2.664 -7.388 1.016 1.00 33.21 H new ATOM 0 HG21 THR A 106 4.897 -6.200 2.948 1.00 1.44 H new ATOM 0 HG22 THR A 106 6.189 -7.178 2.210 1.00 1.44 H new ATOM 0 HG23 THR A 106 5.064 -6.264 1.177 1.00 1.44 H new ATOM 1648 N ASP A 107 3.861 -11.055 1.868 1.00 14.13 N ATOM 1649 CA ASP A 107 3.054 -12.266 1.975 1.00 34.24 C ATOM 1650 C ASP A 107 1.596 -11.944 2.273 1.00 23.31 C ATOM 1651 O ASP A 107 0.695 -12.684 1.882 1.00 62.14 O ATOM 1652 CB ASP A 107 3.619 -13.205 3.040 1.00 3.30 C ATOM 1653 CG ASP A 107 4.960 -13.779 2.645 1.00 33.45 C ATOM 1654 OD1 ASP A 107 5.991 -13.160 2.964 1.00 20.41 O ATOM 1655 OD2 ASP A 107 4.990 -14.856 2.005 1.00 20.22 O ATOM 0 H ASP A 107 4.578 -10.958 2.587 1.00 14.13 H new ATOM 0 HA ASP A 107 3.095 -12.769 1.009 1.00 34.24 H new ATOM 0 HB2 ASP A 107 3.721 -12.664 3.981 1.00 3.30 H new ATOM 0 HB3 ASP A 107 2.915 -14.019 3.214 1.00 3.30 H new ATOM 1660 N SER A 108 1.363 -10.831 2.945 1.00 54.03 N ATOM 1661 CA SER A 108 0.011 -10.425 3.296 1.00 61.52 C ATOM 1662 C SER A 108 -0.677 -9.661 2.150 1.00 75.02 C ATOM 1663 O SER A 108 -1.813 -9.194 2.300 1.00 2.05 O ATOM 1664 CB SER A 108 0.035 -9.574 4.561 1.00 1.23 C ATOM 1665 OG SER A 108 0.660 -10.271 5.629 1.00 71.20 O ATOM 0 H SER A 108 2.092 -10.191 3.260 1.00 54.03 H new ATOM 0 HA SER A 108 -0.570 -11.329 3.478 1.00 61.52 H new ATOM 0 HB2 SER A 108 0.568 -8.643 4.368 1.00 1.23 H new ATOM 0 HB3 SER A 108 -0.983 -9.306 4.843 1.00 1.23 H new ATOM 0 HG SER A 108 0.666 -9.706 6.430 1.00 71.20 H new ATOM 1671 N GLY A 109 0.010 -9.539 1.016 1.00 63.14 N ATOM 1672 CA GLY A 109 -0.563 -8.858 -0.129 1.00 45.14 C ATOM 1673 C GLY A 109 0.373 -7.822 -0.717 1.00 11.11 C ATOM 1674 O GLY A 109 1.539 -7.736 -0.326 1.00 33.32 O ATOM 0 H GLY A 109 0.953 -9.900 0.872 1.00 63.14 H new ATOM 0 HA2 GLY A 109 -0.815 -9.591 -0.895 1.00 45.14 H new ATOM 0 HA3 GLY A 109 -1.494 -8.375 0.168 1.00 45.14 H new ATOM 1678 N ILE A 110 -0.128 -7.037 -1.648 1.00 33.45 N ATOM 1679 CA ILE A 110 0.668 -6.006 -2.287 1.00 13.41 C ATOM 1680 C ILE A 110 0.326 -4.645 -1.696 1.00 41.34 C ATOM 1681 O ILE A 110 -0.841 -4.254 -1.656 1.00 53.42 O ATOM 1682 CB ILE A 110 0.428 -5.974 -3.814 1.00 21.30 C ATOM 1683 CG1 ILE A 110 0.572 -7.382 -4.405 1.00 1.41 C ATOM 1684 CG2 ILE A 110 1.409 -5.013 -4.481 1.00 70.43 C ATOM 1685 CD1 ILE A 110 0.223 -7.466 -5.876 1.00 61.41 C ATOM 0 H ILE A 110 -1.090 -7.093 -1.982 1.00 33.45 H new ATOM 0 HA ILE A 110 1.718 -6.237 -2.107 1.00 13.41 H new ATOM 0 HB ILE A 110 -0.586 -5.622 -4.002 1.00 21.30 H new ATOM 0 HG12 ILE A 110 1.598 -7.722 -4.265 1.00 1.41 H new ATOM 0 HG13 ILE A 110 -0.069 -8.066 -3.849 1.00 1.41 H new ATOM 0 HG21 ILE A 110 1.230 -4.999 -5.556 1.00 70.43 H new ATOM 0 HG22 ILE A 110 1.268 -4.011 -4.077 1.00 70.43 H new ATOM 0 HG23 ILE A 110 2.430 -5.342 -4.287 1.00 70.43 H new ATOM 0 HD11 ILE A 110 0.349 -8.492 -6.222 1.00 61.41 H new ATOM 0 HD12 ILE A 110 -0.812 -7.158 -6.022 1.00 61.41 H new ATOM 0 HD13 ILE A 110 0.881 -6.808 -6.444 1.00 61.41 H new ATOM 1697 N HIS A 111 1.339 -3.938 -1.225 1.00 52.05 N ATOM 1698 CA HIS A 111 1.139 -2.630 -0.613 1.00 12.24 C ATOM 1699 C HIS A 111 1.572 -1.528 -1.558 1.00 12.43 C ATOM 1700 O HIS A 111 2.637 -1.607 -2.158 1.00 43.21 O ATOM 1701 CB HIS A 111 1.947 -2.490 0.692 1.00 34.20 C ATOM 1702 CG HIS A 111 1.636 -3.502 1.749 1.00 31.32 C ATOM 1703 ND1 HIS A 111 1.035 -3.186 2.946 1.00 3.31 N ATOM 1704 CD2 HIS A 111 1.892 -4.821 1.802 1.00 71.11 C ATOM 1705 CE1 HIS A 111 0.939 -4.270 3.688 1.00 55.00 C ATOM 1706 NE2 HIS A 111 1.452 -5.277 3.016 1.00 72.12 N ATOM 0 H HIS A 111 2.311 -4.246 -1.254 1.00 52.05 H new ATOM 0 HA HIS A 111 0.075 -2.541 -0.392 1.00 12.24 H new ATOM 0 HB2 HIS A 111 3.008 -2.555 0.451 1.00 34.20 H new ATOM 0 HB3 HIS A 111 1.773 -1.495 1.102 1.00 34.20 H new ATOM 0 HD2 HIS A 111 2.359 -5.413 1.029 1.00 71.11 H new ATOM 0 HE1 HIS A 111 0.512 -4.323 4.679 1.00 55.00 H new ATOM 0 HE2 HIS A 111 1.512 -6.241 3.345 1.00 72.12 H new ATOM 1715 N ILE A 112 0.747 -0.521 -1.697 1.00 74.41 N ATOM 1716 CA ILE A 112 1.098 0.647 -2.479 1.00 14.54 C ATOM 1717 C ILE A 112 1.471 1.766 -1.525 1.00 64.33 C ATOM 1718 O ILE A 112 0.671 2.142 -0.668 1.00 21.23 O ATOM 1719 CB ILE A 112 -0.065 1.123 -3.383 1.00 10.32 C ATOM 1720 CG1 ILE A 112 -0.569 -0.025 -4.263 1.00 45.24 C ATOM 1721 CG2 ILE A 112 0.384 2.299 -4.248 1.00 70.24 C ATOM 1722 CD1 ILE A 112 -1.744 0.353 -5.145 1.00 21.22 C ATOM 0 H ILE A 112 -0.181 -0.483 -1.276 1.00 74.41 H new ATOM 0 HA ILE A 112 1.931 0.381 -3.130 1.00 14.54 H new ATOM 0 HB ILE A 112 -0.885 1.452 -2.745 1.00 10.32 H new ATOM 0 HG12 ILE A 112 0.249 -0.374 -4.893 1.00 45.24 H new ATOM 0 HG13 ILE A 112 -0.859 -0.860 -3.625 1.00 45.24 H new ATOM 0 HG21 ILE A 112 -0.444 2.624 -4.879 1.00 70.24 H new ATOM 0 HG22 ILE A 112 0.697 3.123 -3.607 1.00 70.24 H new ATOM 0 HG23 ILE A 112 1.220 1.990 -4.876 1.00 70.24 H new ATOM 0 HD11 ILE A 112 -2.046 -0.510 -5.739 1.00 21.22 H new ATOM 0 HD12 ILE A 112 -2.579 0.674 -4.522 1.00 21.22 H new ATOM 0 HD13 ILE A 112 -1.453 1.167 -5.809 1.00 21.22 H new ATOM 1734 N ILE A 113 2.682 2.277 -1.644 1.00 35.23 N ATOM 1735 CA ILE A 113 3.140 3.329 -0.750 1.00 50.53 C ATOM 1736 C ILE A 113 3.268 4.654 -1.484 1.00 4.23 C ATOM 1737 O ILE A 113 3.978 4.752 -2.493 1.00 60.21 O ATOM 1738 CB ILE A 113 4.505 2.980 -0.113 1.00 14.31 C ATOM 1739 CG1 ILE A 113 4.476 1.575 0.489 1.00 53.34 C ATOM 1740 CG2 ILE A 113 4.865 4.007 0.957 1.00 41.31 C ATOM 1741 CD1 ILE A 113 5.809 1.129 1.048 1.00 71.12 C ATOM 0 H ILE A 113 3.363 1.985 -2.345 1.00 35.23 H new ATOM 0 HA ILE A 113 2.391 3.418 0.037 1.00 50.53 H new ATOM 0 HB ILE A 113 5.266 3.003 -0.893 1.00 14.31 H new ATOM 0 HG12 ILE A 113 3.730 1.544 1.283 1.00 53.34 H new ATOM 0 HG13 ILE A 113 4.157 0.867 -0.276 1.00 53.34 H new ATOM 0 HG21 ILE A 113 5.828 3.750 1.398 1.00 41.31 H new ATOM 0 HG22 ILE A 113 4.925 4.997 0.505 1.00 41.31 H new ATOM 0 HG23 ILE A 113 4.099 4.008 1.733 1.00 41.31 H new ATOM 0 HD11 ILE A 113 5.713 0.124 1.458 1.00 71.12 H new ATOM 0 HD12 ILE A 113 6.555 1.127 0.253 1.00 71.12 H new ATOM 0 HD13 ILE A 113 6.121 1.814 1.836 1.00 71.12 H new ATOM 1753 N LEU A 114 2.581 5.662 -0.980 1.00 35.41 N ATOM 1754 CA LEU A 114 2.630 6.994 -1.553 1.00 30.34 C ATOM 1755 C LEU A 114 3.042 8.004 -0.494 1.00 71.32 C ATOM 1756 O LEU A 114 2.476 8.028 0.606 1.00 50.24 O ATOM 1757 CB LEU A 114 1.263 7.381 -2.136 1.00 65.12 C ATOM 1758 CG LEU A 114 1.144 8.820 -2.665 1.00 62.13 C ATOM 1759 CD1 LEU A 114 2.031 9.030 -3.880 1.00 42.31 C ATOM 1760 CD2 LEU A 114 -0.299 9.153 -2.993 1.00 41.43 C ATOM 0 H LEU A 114 1.975 5.581 -0.164 1.00 35.41 H new ATOM 0 HA LEU A 114 3.367 6.996 -2.356 1.00 30.34 H new ATOM 0 HB2 LEU A 114 1.029 6.694 -2.949 1.00 65.12 H new ATOM 0 HB3 LEU A 114 0.506 7.233 -1.366 1.00 65.12 H new ATOM 0 HG LEU A 114 1.483 9.495 -1.879 1.00 62.13 H new ATOM 0 HD11 LEU A 114 1.927 10.056 -4.233 1.00 42.31 H new ATOM 0 HD12 LEU A 114 3.070 8.843 -3.609 1.00 42.31 H new ATOM 0 HD13 LEU A 114 1.733 8.342 -4.671 1.00 42.31 H new ATOM 0 HD21 LEU A 114 -0.361 10.175 -3.366 1.00 41.43 H new ATOM 0 HD22 LEU A 114 -0.667 8.466 -3.755 1.00 41.43 H new ATOM 0 HD23 LEU A 114 -0.908 9.057 -2.094 1.00 41.43 H new ATOM 1772 N ARG A 115 4.028 8.825 -0.813 1.00 13.12 N ATOM 1773 CA ARG A 115 4.470 9.854 0.104 1.00 34.54 C ATOM 1774 C ARG A 115 3.537 11.050 0.004 1.00 72.11 C ATOM 1775 O ARG A 115 3.557 11.787 -0.988 1.00 31.41 O ATOM 1776 CB ARG A 115 5.901 10.285 -0.215 1.00 3.43 C ATOM 1777 CG ARG A 115 6.473 11.292 0.773 1.00 41.34 C ATOM 1778 CD ARG A 115 6.910 10.625 2.064 1.00 4.13 C ATOM 1779 NE ARG A 115 7.218 11.604 3.104 1.00 23.50 N ATOM 1780 CZ ARG A 115 8.438 11.892 3.552 1.00 64.10 C ATOM 1781 NH1 ARG A 115 9.513 11.342 2.998 1.00 23.14 N ATOM 1782 NH2 ARG A 115 8.580 12.765 4.539 1.00 24.44 N ATOM 0 H ARG A 115 4.534 8.797 -1.698 1.00 13.12 H new ATOM 0 HA ARG A 115 4.451 9.454 1.118 1.00 34.54 H new ATOM 0 HB2 ARG A 115 6.541 9.403 -0.232 1.00 3.43 H new ATOM 0 HB3 ARG A 115 5.926 10.717 -1.216 1.00 3.43 H new ATOM 0 HG2 ARG A 115 7.323 11.803 0.321 1.00 41.34 H new ATOM 0 HG3 ARG A 115 5.724 12.053 0.992 1.00 41.34 H new ATOM 0 HD2 ARG A 115 6.121 9.959 2.414 1.00 4.13 H new ATOM 0 HD3 ARG A 115 7.788 10.007 1.875 1.00 4.13 H new ATOM 0 HE ARG A 115 6.435 12.108 3.520 1.00 23.50 H new ATOM 0 HH11 ARG A 115 9.409 10.691 2.220 1.00 23.14 H new ATOM 0 HH12 ARG A 115 10.442 11.571 3.351 1.00 23.14 H new ATOM 0 HH21 ARG A 115 7.759 13.210 4.949 1.00 24.44 H new ATOM 0 HH22 ARG A 115 9.511 12.992 4.889 1.00 24.44 H new ATOM 1796 N THR A 116 2.719 11.231 1.014 1.00 51.22 N ATOM 1797 CA THR A 116 1.758 12.308 1.031 1.00 65.13 C ATOM 1798 C THR A 116 2.357 13.586 1.609 1.00 23.43 C ATOM 1799 O THR A 116 1.909 14.691 1.299 1.00 25.23 O ATOM 1800 CB THR A 116 0.508 11.899 1.821 1.00 50.32 C ATOM 1801 OG1 THR A 116 0.902 11.173 3.000 1.00 20.44 O ATOM 1802 CG2 THR A 116 -0.394 11.027 0.962 1.00 71.14 C ATOM 0 H THR A 116 2.701 10.638 1.844 1.00 51.22 H new ATOM 0 HA THR A 116 1.473 12.512 -0.001 1.00 65.13 H new ATOM 0 HB THR A 116 -0.040 12.796 2.110 1.00 50.32 H new ATOM 0 HG1 THR A 116 0.104 10.913 3.506 1.00 20.44 H new ATOM 0 HG21 THR A 116 -1.278 10.743 1.534 1.00 71.14 H new ATOM 0 HG22 THR A 116 -0.699 11.582 0.075 1.00 71.14 H new ATOM 0 HG23 THR A 116 0.147 10.130 0.661 1.00 71.14 H new ATOM 1810 N GLU A 117 3.366 13.433 2.446 1.00 51.14 N ATOM 1811 CA GLU A 117 4.043 14.564 3.045 1.00 32.23 C ATOM 1812 C GLU A 117 5.473 14.169 3.355 1.00 43.22 C ATOM 1813 O GLU A 117 5.683 13.435 4.344 1.00 0.00 O ATOM 1814 CB GLU A 117 3.316 15.009 4.326 1.00 42.31 C ATOM 1815 CG GLU A 117 3.509 16.483 4.694 1.00 24.20 C ATOM 1816 CD GLU A 117 4.950 16.861 4.975 1.00 71.15 C ATOM 1817 OE1 GLU A 117 5.465 16.496 6.047 1.00 63.30 O ATOM 1818 OE2 GLU A 117 5.569 17.549 4.132 1.00 60.54 O ATOM 1819 OXT GLU A 117 6.379 14.559 2.595 1.00 0.00 O ATOM 0 H GLU A 117 3.737 12.525 2.728 1.00 51.14 H new ATOM 0 HA GLU A 117 4.039 15.403 2.350 1.00 32.23 H new ATOM 0 HB2 GLU A 117 2.250 14.815 4.208 1.00 42.31 H new ATOM 0 HB3 GLU A 117 3.662 14.393 5.156 1.00 42.31 H new ATOM 0 HG2 GLU A 117 3.133 17.103 3.880 1.00 24.20 H new ATOM 0 HG3 GLU A 117 2.906 16.710 5.573 1.00 24.20 H new TER 1826 GLU A 117