USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 906 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 137:sc= 0.0314 USER MOD Set 1.2: A 108 SER OG : rot 86:sc= 1.27 USER MOD Set 1.3: A 111 HIS : no HE2:sc= -1.58 K(o=-0.28,f=-7.6!) USER MOD Set 2.1: A 18 HIS : no HE2:sc= -0.175 K(o=3.5,f=-5!) USER MOD Set 2.2: A 20 GLN : amide:sc= 2.56 K(o=3.5,f=-8.9!) USER MOD Set 2.3: A 35 THR OG1 : rot 110:sc= 1.12 USER MOD Set 3.1: A 13 HIS : no HE2:sc= -1.79! C(o=-1!,f=-8.6!) USER MOD Set 3.2: A 67 CYS SG : rot 4:sc= -0.43 USER MOD Set 3.3: A 69 SER OG : rot -149:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.119 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -124:sc= -3.79! USER MOD Single : A 12 SER OG : rot -14:sc= 1.31 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 1.28 (180deg=0.931) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -106:sc= 1.27 USER MOD Single : A 25 SER OG : rot -79:sc= 1.22 USER MOD Single : A 26 SER OG : rot -130:sc= 0.254 USER MOD Single : A 29 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.163 (180deg=-0.612) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00625 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0594) USER MOD Single : A 44 ASN : amide:sc= -0.0876 K(o=-0.088,f=-1) USER MOD Single : A 46 TYR OH : rot -93:sc= 0.696 USER MOD Single : A 48 GLN : amide:sc= -0.155 K(o=-0.15,f=-0.72) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0.995 (180deg=0.419) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.16) USER MOD Single : A 52 SER OG : rot 103:sc= 1.28 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 62 SER OG : rot -55:sc= 1.87 USER MOD Single : A 63 GLN : amide:sc= -0.898 K(o=-0.9,f=-0.00019) USER MOD Single : A 65 SER OG : rot 23:sc= 2.15 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -1.52! USER MOD Single : A 83 GLN : amide:sc= 0.475 K(o=0.47,f=-3.8!) USER MOD Single : A 84 MET CE :methyl 164:sc= -0.343 (180deg=-0.868) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.16) USER MOD Single : A 92 SER OG : rot 82:sc= 0.897 USER MOD Single : A 97 THR OG1 : rot -72:sc= 1.24 USER MOD Single : A 100 MET CE :methyl 177:sc= -3.17 (180deg=-3.19) USER MOD Single : A 101 SER OG : rot 170:sc= -0.113 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0355 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.621 -30.861 3.286 1.00 72.40 N ATOM 2 CA GLY A 1 -11.567 -29.573 3.995 1.00 32.12 C ATOM 3 C GLY A 1 -12.384 -28.519 3.299 1.00 64.22 C ATOM 4 O GLY A 1 -12.795 -28.704 2.154 1.00 62.22 O ATOM 0 H1 GLY A 1 -12.126 -31.558 3.870 1.00 72.40 H new ATOM 0 H2 GLY A 1 -12.121 -30.739 2.382 1.00 72.40 H new ATOM 0 H3 GLY A 1 -10.654 -31.198 3.104 1.00 72.40 H new ATOM 0 HA2 GLY A 1 -11.933 -29.703 5.014 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -10.531 -29.241 4.068 1.00 32.12 H new ATOM 10 N SER A 2 -12.630 -27.423 3.983 1.00 5.42 N ATOM 11 CA SER A 2 -13.403 -26.333 3.434 1.00 44.45 C ATOM 12 C SER A 2 -12.764 -25.008 3.822 1.00 1.31 C ATOM 13 O SER A 2 -12.388 -24.809 4.983 1.00 11.34 O ATOM 14 CB SER A 2 -14.847 -26.401 3.947 1.00 41.14 C ATOM 15 OG SER A 2 -15.669 -25.427 3.325 1.00 33.44 O ATOM 0 H SER A 2 -12.300 -27.263 4.935 1.00 5.42 H new ATOM 0 HA SER A 2 -13.418 -26.414 2.347 1.00 44.45 H new ATOM 0 HB2 SER A 2 -15.254 -27.395 3.759 1.00 41.14 H new ATOM 0 HB3 SER A 2 -14.858 -26.251 5.027 1.00 41.14 H new ATOM 0 HG SER A 2 -16.582 -25.499 3.673 1.00 33.44 H new ATOM 21 N HIS A 3 -12.625 -24.117 2.856 1.00 0.53 N ATOM 22 CA HIS A 3 -12.022 -22.817 3.103 1.00 13.32 C ATOM 23 C HIS A 3 -13.058 -21.796 3.524 1.00 55.32 C ATOM 24 O HIS A 3 -13.900 -21.380 2.722 1.00 42.22 O ATOM 25 CB HIS A 3 -11.261 -22.308 1.874 1.00 54.42 C ATOM 26 CG HIS A 3 -9.887 -22.885 1.720 1.00 74.03 C ATOM 27 ND1 HIS A 3 -9.332 -23.197 0.497 1.00 50.05 N ATOM 28 CD2 HIS A 3 -8.938 -23.176 2.643 1.00 24.52 C ATOM 29 CE1 HIS A 3 -8.109 -23.655 0.675 1.00 42.31 C ATOM 30 NE2 HIS A 3 -7.846 -23.651 1.966 1.00 61.11 N ATOM 0 H HIS A 3 -12.922 -24.269 1.892 1.00 0.53 H new ATOM 0 HA HIS A 3 -11.313 -22.949 3.920 1.00 13.32 H new ATOM 0 HB2 HIS A 3 -11.841 -22.537 0.980 1.00 54.42 H new ATOM 0 HB3 HIS A 3 -11.182 -21.222 1.933 1.00 54.42 H new ATOM 0 HD2 HIS A 3 -9.026 -23.056 3.713 1.00 24.52 H new ATOM 0 HE1 HIS A 3 -7.436 -23.979 -0.105 1.00 42.31 H new ATOM 0 HE2 HIS A 3 -6.970 -23.953 2.393 1.00 61.11 H new ATOM 39 N MET A 4 -12.999 -21.403 4.776 1.00 51.14 N ATOM 40 CA MET A 4 -13.884 -20.388 5.310 1.00 60.12 C ATOM 41 C MET A 4 -13.092 -19.097 5.430 1.00 2.43 C ATOM 42 O MET A 4 -12.251 -18.962 6.325 1.00 33.11 O ATOM 43 CB MET A 4 -14.440 -20.828 6.677 1.00 33.24 C ATOM 44 CG MET A 4 -15.660 -20.041 7.161 1.00 11.22 C ATOM 45 SD MET A 4 -15.289 -18.330 7.600 1.00 5.11 S ATOM 46 CE MET A 4 -16.878 -17.785 8.219 1.00 0.42 C ATOM 0 H MET A 4 -12.336 -21.777 5.455 1.00 51.14 H new ATOM 0 HA MET A 4 -14.737 -20.237 4.648 1.00 60.12 H new ATOM 0 HB2 MET A 4 -14.706 -21.884 6.622 1.00 33.24 H new ATOM 0 HB3 MET A 4 -13.649 -20.737 7.421 1.00 33.24 H new ATOM 0 HG2 MET A 4 -16.421 -20.050 6.380 1.00 11.22 H new ATOM 0 HG3 MET A 4 -16.087 -20.545 8.028 1.00 11.22 H new ATOM 0 HE1 MET A 4 -16.809 -16.743 8.531 1.00 0.42 H new ATOM 0 HE2 MET A 4 -17.627 -17.880 7.433 1.00 0.42 H new ATOM 0 HE3 MET A 4 -17.167 -18.400 9.071 1.00 0.42 H new ATOM 56 N GLU A 5 -13.352 -18.168 4.503 1.00 2.35 N ATOM 57 CA GLU A 5 -12.606 -16.907 4.384 1.00 61.33 C ATOM 58 C GLU A 5 -11.210 -17.159 3.816 1.00 33.34 C ATOM 59 O GLU A 5 -10.626 -18.229 4.019 1.00 35.24 O ATOM 60 CB GLU A 5 -12.506 -16.140 5.713 1.00 22.12 C ATOM 61 CG GLU A 5 -13.802 -15.505 6.171 1.00 61.44 C ATOM 62 CD GLU A 5 -13.584 -14.539 7.311 1.00 43.52 C ATOM 63 OE1 GLU A 5 -13.341 -14.995 8.444 1.00 5.24 O ATOM 64 OE2 GLU A 5 -13.653 -13.309 7.076 1.00 34.45 O ATOM 0 H GLU A 5 -14.092 -18.270 3.808 1.00 2.35 H new ATOM 0 HA GLU A 5 -13.171 -16.278 3.696 1.00 61.33 H new ATOM 0 HB2 GLU A 5 -12.158 -16.824 6.487 1.00 22.12 H new ATOM 0 HB3 GLU A 5 -11.750 -15.361 5.612 1.00 22.12 H new ATOM 0 HG2 GLU A 5 -14.265 -14.981 5.335 1.00 61.44 H new ATOM 0 HG3 GLU A 5 -14.497 -16.284 6.483 1.00 61.44 H new ATOM 71 N PRO A 6 -10.665 -16.192 3.077 1.00 2.50 N ATOM 72 CA PRO A 6 -9.334 -16.316 2.497 1.00 74.41 C ATOM 73 C PRO A 6 -8.237 -16.296 3.564 1.00 54.42 C ATOM 74 O PRO A 6 -8.035 -15.292 4.246 1.00 24.24 O ATOM 75 CB PRO A 6 -9.224 -15.095 1.581 1.00 11.24 C ATOM 76 CG PRO A 6 -10.183 -14.106 2.147 1.00 23.31 C ATOM 77 CD PRO A 6 -11.306 -14.908 2.734 1.00 60.33 C ATOM 0 HA PRO A 6 -9.202 -17.262 1.972 1.00 74.41 H new ATOM 0 HB2 PRO A 6 -8.208 -14.699 1.570 1.00 11.24 H new ATOM 0 HB3 PRO A 6 -9.479 -15.348 0.552 1.00 11.24 H new ATOM 0 HG2 PRO A 6 -9.704 -13.490 2.908 1.00 23.31 H new ATOM 0 HG3 PRO A 6 -10.549 -13.430 1.374 1.00 23.31 H new ATOM 0 HD2 PRO A 6 -11.730 -14.423 3.613 1.00 60.33 H new ATOM 0 HD3 PRO A 6 -12.119 -15.043 2.021 1.00 60.33 H new ATOM 85 N ALA A 7 -7.551 -17.420 3.716 1.00 41.31 N ATOM 86 CA ALA A 7 -6.466 -17.530 4.679 1.00 25.01 C ATOM 87 C ALA A 7 -5.178 -16.992 4.077 1.00 20.45 C ATOM 88 O ALA A 7 -4.282 -16.542 4.788 1.00 45.22 O ATOM 89 CB ALA A 7 -6.290 -18.977 5.112 1.00 2.12 C ATOM 0 H ALA A 7 -7.728 -18.271 3.182 1.00 41.31 H new ATOM 0 HA ALA A 7 -6.713 -16.936 5.559 1.00 25.01 H new ATOM 0 HB1 ALA A 7 -5.475 -19.045 5.833 1.00 2.12 H new ATOM 0 HB2 ALA A 7 -7.212 -19.334 5.572 1.00 2.12 H new ATOM 0 HB3 ALA A 7 -6.057 -19.591 4.242 1.00 2.12 H new ATOM 95 N ARG A 8 -5.101 -17.054 2.759 1.00 73.44 N ATOM 96 CA ARG A 8 -3.967 -16.542 2.010 1.00 25.12 C ATOM 97 C ARG A 8 -4.467 -15.594 0.933 1.00 71.13 C ATOM 98 O ARG A 8 -5.293 -15.978 0.104 1.00 22.55 O ATOM 99 CB ARG A 8 -3.185 -17.690 1.359 1.00 12.04 C ATOM 100 CG ARG A 8 -2.537 -18.644 2.345 1.00 40.24 C ATOM 101 CD ARG A 8 -1.788 -19.756 1.629 1.00 62.44 C ATOM 102 NE ARG A 8 -1.030 -20.593 2.560 1.00 73.43 N ATOM 103 CZ ARG A 8 -0.326 -21.673 2.208 1.00 50.14 C ATOM 104 NH1 ARG A 8 -0.320 -22.086 0.947 1.00 53.11 N ATOM 105 NH2 ARG A 8 0.360 -22.346 3.124 1.00 23.13 N ATOM 0 H ARG A 8 -5.829 -17.464 2.174 1.00 73.44 H new ATOM 0 HA ARG A 8 -3.302 -16.014 2.694 1.00 25.12 H new ATOM 0 HB2 ARG A 8 -3.860 -18.255 0.716 1.00 12.04 H new ATOM 0 HB3 ARG A 8 -2.411 -17.269 0.717 1.00 12.04 H new ATOM 0 HG2 ARG A 8 -1.849 -18.094 2.987 1.00 40.24 H new ATOM 0 HG3 ARG A 8 -3.301 -19.075 2.992 1.00 40.24 H new ATOM 0 HD2 ARG A 8 -2.497 -20.375 1.079 1.00 62.44 H new ATOM 0 HD3 ARG A 8 -1.108 -19.322 0.896 1.00 62.44 H new ATOM 0 HE ARG A 8 -1.040 -20.334 3.546 1.00 73.43 H new ATOM 0 HH11 ARG A 8 -0.854 -21.579 0.242 1.00 53.11 H new ATOM 0 HH12 ARG A 8 0.219 -22.911 0.683 1.00 53.11 H new ATOM 0 HH21 ARG A 8 0.350 -22.039 4.097 1.00 23.13 H new ATOM 0 HH22 ARG A 8 0.897 -23.170 2.855 1.00 23.13 H new ATOM 119 N VAL A 9 -3.991 -14.366 0.947 1.00 61.14 N ATOM 120 CA VAL A 9 -4.418 -13.382 -0.043 1.00 23.11 C ATOM 121 C VAL A 9 -3.228 -12.711 -0.698 1.00 74.30 C ATOM 122 O VAL A 9 -2.159 -12.597 -0.092 1.00 61.14 O ATOM 123 CB VAL A 9 -5.327 -12.284 0.577 1.00 41.34 C ATOM 124 CG1 VAL A 9 -6.595 -12.887 1.146 1.00 72.12 C ATOM 125 CG2 VAL A 9 -4.583 -11.495 1.647 1.00 63.41 C ATOM 0 H VAL A 9 -3.312 -14.021 1.626 1.00 61.14 H new ATOM 0 HA VAL A 9 -4.990 -13.933 -0.790 1.00 23.11 H new ATOM 0 HB VAL A 9 -5.604 -11.595 -0.221 1.00 41.34 H new ATOM 0 HG11 VAL A 9 -7.213 -12.098 1.574 1.00 72.12 H new ATOM 0 HG12 VAL A 9 -7.147 -13.390 0.352 1.00 72.12 H new ATOM 0 HG13 VAL A 9 -6.339 -13.608 1.922 1.00 72.12 H new ATOM 0 HG21 VAL A 9 -5.243 -10.734 2.063 1.00 63.41 H new ATOM 0 HG22 VAL A 9 -4.262 -12.170 2.440 1.00 63.41 H new ATOM 0 HG23 VAL A 9 -3.710 -11.015 1.204 1.00 63.41 H new ATOM 135 N ARG A 10 -3.406 -12.290 -1.937 1.00 5.53 N ATOM 136 CA ARG A 10 -2.377 -11.557 -2.641 1.00 75.31 C ATOM 137 C ARG A 10 -2.729 -10.091 -2.635 1.00 2.12 C ATOM 138 O ARG A 10 -3.844 -9.710 -3.013 1.00 72.14 O ATOM 139 CB ARG A 10 -2.236 -12.043 -4.075 1.00 52.13 C ATOM 140 CG ARG A 10 -1.130 -11.339 -4.841 1.00 31.12 C ATOM 141 CD ARG A 10 -1.025 -11.850 -6.257 1.00 23.24 C ATOM 142 NE ARG A 10 0.076 -11.223 -6.983 1.00 75.13 N ATOM 143 CZ ARG A 10 0.416 -11.528 -8.233 1.00 33.43 C ATOM 144 NH1 ARG A 10 -0.260 -12.456 -8.901 1.00 74.25 N ATOM 145 NH2 ARG A 10 1.428 -10.899 -8.818 1.00 3.03 N ATOM 0 H ARG A 10 -4.258 -12.445 -2.476 1.00 5.53 H new ATOM 0 HA ARG A 10 -1.425 -11.720 -2.136 1.00 75.31 H new ATOM 0 HB2 ARG A 10 -2.040 -13.115 -4.070 1.00 52.13 H new ATOM 0 HB3 ARG A 10 -3.181 -11.894 -4.597 1.00 52.13 H new ATOM 0 HG2 ARG A 10 -1.321 -10.266 -4.854 1.00 31.12 H new ATOM 0 HG3 ARG A 10 -0.180 -11.487 -4.328 1.00 31.12 H new ATOM 0 HD2 ARG A 10 -0.882 -12.930 -6.243 1.00 23.24 H new ATOM 0 HD3 ARG A 10 -1.961 -11.659 -6.782 1.00 23.24 H new ATOM 0 HE ARG A 10 0.619 -10.506 -6.502 1.00 75.13 H new ATOM 0 HH11 ARG A 10 -1.042 -12.937 -8.456 1.00 74.25 H new ATOM 0 HH12 ARG A 10 0.003 -12.688 -9.859 1.00 74.25 H new ATOM 0 HH21 ARG A 10 1.945 -10.182 -8.309 1.00 3.03 H new ATOM 0 HH22 ARG A 10 1.688 -11.133 -9.776 1.00 3.03 H new ATOM 159 N CYS A 11 -1.808 -9.265 -2.203 1.00 50.24 N ATOM 160 CA CYS A 11 -2.075 -7.854 -2.121 1.00 1.22 C ATOM 161 C CYS A 11 -0.934 -7.020 -2.674 1.00 52.45 C ATOM 162 O CYS A 11 0.251 -7.288 -2.415 1.00 73.24 O ATOM 163 CB CYS A 11 -2.362 -7.453 -0.675 1.00 62.21 C ATOM 164 SG CYS A 11 -3.718 -8.373 0.083 1.00 52.20 S ATOM 0 H CYS A 11 -0.873 -9.545 -1.905 1.00 50.24 H new ATOM 0 HA CYS A 11 -2.953 -7.656 -2.736 1.00 1.22 H new ATOM 0 HB2 CYS A 11 -1.460 -7.600 -0.081 1.00 62.21 H new ATOM 0 HB3 CYS A 11 -2.595 -6.389 -0.643 1.00 62.21 H new ATOM 0 HG CYS A 11 -4.614 -7.541 0.524 1.00 52.20 H new ATOM 170 N SER A 12 -1.299 -6.023 -3.445 1.00 11.42 N ATOM 171 CA SER A 12 -0.366 -5.065 -3.949 1.00 72.53 C ATOM 172 C SER A 12 -0.355 -3.897 -2.978 1.00 34.31 C ATOM 173 O SER A 12 -1.357 -3.649 -2.299 1.00 11.03 O ATOM 174 CB SER A 12 -0.782 -4.608 -5.347 1.00 64.04 C ATOM 175 OG SER A 12 -0.967 -5.720 -6.213 1.00 41.42 O ATOM 0 H SER A 12 -2.262 -5.860 -3.738 1.00 11.42 H new ATOM 0 HA SER A 12 0.631 -5.497 -4.033 1.00 72.53 H new ATOM 0 HB2 SER A 12 -1.706 -4.033 -5.285 1.00 64.04 H new ATOM 0 HB3 SER A 12 -0.021 -3.945 -5.758 1.00 64.04 H new ATOM 0 HG SER A 12 -0.571 -6.520 -5.808 1.00 41.42 H new ATOM 181 N HIS A 13 0.745 -3.188 -2.890 1.00 41.42 N ATOM 182 CA HIS A 13 0.853 -2.138 -1.898 1.00 12.10 C ATOM 183 C HIS A 13 1.589 -0.918 -2.419 1.00 25.51 C ATOM 184 O HIS A 13 2.651 -1.027 -3.029 1.00 25.54 O ATOM 185 CB HIS A 13 1.541 -2.669 -0.631 1.00 2.45 C ATOM 186 CG HIS A 13 2.978 -3.058 -0.827 1.00 22.14 C ATOM 187 ND1 HIS A 13 4.003 -2.527 -0.088 1.00 13.10 N ATOM 188 CD2 HIS A 13 3.553 -3.927 -1.690 1.00 75.31 C ATOM 189 CE1 HIS A 13 5.142 -3.044 -0.484 1.00 41.04 C ATOM 190 NE2 HIS A 13 4.897 -3.896 -1.454 1.00 72.14 N ATOM 0 H HIS A 13 1.567 -3.313 -3.481 1.00 41.42 H new ATOM 0 HA HIS A 13 -0.162 -1.823 -1.657 1.00 12.10 H new ATOM 0 HB2 HIS A 13 1.486 -1.906 0.146 1.00 2.45 H new ATOM 0 HB3 HIS A 13 0.988 -3.535 -0.267 1.00 2.45 H new ATOM 0 HD1 HIS A 13 3.897 -1.836 0.655 1.00 13.10 H new ATOM 0 HD2 HIS A 13 3.044 -4.531 -2.427 1.00 75.31 H new ATOM 0 HE1 HIS A 13 6.116 -2.809 -0.081 1.00 41.04 H new ATOM 199 N LEU A 14 1.013 0.232 -2.170 1.00 40.52 N ATOM 200 CA LEU A 14 1.619 1.491 -2.529 1.00 52.51 C ATOM 201 C LEU A 14 1.964 2.223 -1.240 1.00 31.22 C ATOM 202 O LEU A 14 1.093 2.467 -0.407 1.00 55.04 O ATOM 203 CB LEU A 14 0.648 2.316 -3.399 1.00 71.24 C ATOM 204 CG LEU A 14 1.265 3.425 -4.271 1.00 72.44 C ATOM 205 CD1 LEU A 14 0.259 3.903 -5.304 1.00 62.04 C ATOM 206 CD2 LEU A 14 1.731 4.597 -3.422 1.00 31.50 C ATOM 0 H LEU A 14 0.107 0.322 -1.711 1.00 40.52 H new ATOM 0 HA LEU A 14 2.525 1.334 -3.115 1.00 52.51 H new ATOM 0 HB2 LEU A 14 0.111 1.629 -4.053 1.00 71.24 H new ATOM 0 HB3 LEU A 14 -0.092 2.773 -2.742 1.00 71.24 H new ATOM 0 HG LEU A 14 2.132 3.006 -4.781 1.00 72.44 H new ATOM 0 HD11 LEU A 14 0.708 4.687 -5.914 1.00 62.04 H new ATOM 0 HD12 LEU A 14 -0.032 3.069 -5.942 1.00 62.04 H new ATOM 0 HD13 LEU A 14 -0.623 4.297 -4.798 1.00 62.04 H new ATOM 0 HD21 LEU A 14 2.162 5.364 -4.066 1.00 31.50 H new ATOM 0 HD22 LEU A 14 0.882 5.013 -2.880 1.00 31.50 H new ATOM 0 HD23 LEU A 14 2.483 4.255 -2.711 1.00 31.50 H new ATOM 218 N LEU A 15 3.224 2.533 -1.061 1.00 13.11 N ATOM 219 CA LEU A 15 3.681 3.174 0.156 1.00 33.13 C ATOM 220 C LEU A 15 4.292 4.536 -0.120 1.00 62.55 C ATOM 221 O LEU A 15 5.268 4.653 -0.859 1.00 14.12 O ATOM 222 CB LEU A 15 4.697 2.274 0.880 1.00 14.40 C ATOM 223 CG LEU A 15 5.482 2.925 2.031 1.00 23.50 C ATOM 224 CD1 LEU A 15 4.544 3.470 3.092 1.00 42.44 C ATOM 225 CD2 LEU A 15 6.454 1.928 2.642 1.00 51.50 C ATOM 0 H LEU A 15 3.959 2.352 -1.745 1.00 13.11 H new ATOM 0 HA LEU A 15 2.812 3.325 0.796 1.00 33.13 H new ATOM 0 HB2 LEU A 15 4.167 1.407 1.274 1.00 14.40 H new ATOM 0 HB3 LEU A 15 5.411 1.903 0.145 1.00 14.40 H new ATOM 0 HG LEU A 15 6.050 3.760 1.622 1.00 23.50 H new ATOM 0 HD11 LEU A 15 5.126 3.925 3.894 1.00 42.44 H new ATOM 0 HD12 LEU A 15 3.890 4.220 2.648 1.00 42.44 H new ATOM 0 HD13 LEU A 15 3.941 2.657 3.497 1.00 42.44 H new ATOM 0 HD21 LEU A 15 7.001 2.405 3.455 1.00 51.50 H new ATOM 0 HD22 LEU A 15 5.902 1.072 3.030 1.00 51.50 H new ATOM 0 HD23 LEU A 15 7.157 1.591 1.880 1.00 51.50 H new ATOM 237 N VAL A 16 3.707 5.556 0.466 1.00 2.45 N ATOM 238 CA VAL A 16 4.237 6.897 0.368 1.00 73.11 C ATOM 239 C VAL A 16 4.672 7.363 1.746 1.00 71.03 C ATOM 240 O VAL A 16 3.838 7.660 2.612 1.00 61.10 O ATOM 241 CB VAL A 16 3.211 7.899 -0.226 1.00 54.43 C ATOM 242 CG1 VAL A 16 3.778 9.314 -0.238 1.00 24.04 C ATOM 243 CG2 VAL A 16 2.815 7.483 -1.634 1.00 11.45 C ATOM 0 H VAL A 16 2.855 5.480 1.021 1.00 2.45 H new ATOM 0 HA VAL A 16 5.088 6.869 -0.313 1.00 73.11 H new ATOM 0 HB VAL A 16 2.324 7.888 0.407 1.00 54.43 H new ATOM 0 HG11 VAL A 16 3.041 9.998 -0.659 1.00 24.04 H new ATOM 0 HG12 VAL A 16 4.016 9.619 0.781 1.00 24.04 H new ATOM 0 HG13 VAL A 16 4.683 9.338 -0.845 1.00 24.04 H new ATOM 0 HG21 VAL A 16 2.095 8.196 -2.035 1.00 11.45 H new ATOM 0 HG22 VAL A 16 3.700 7.464 -2.270 1.00 11.45 H new ATOM 0 HG23 VAL A 16 2.366 6.490 -1.607 1.00 11.45 H new ATOM 253 N LYS A 17 5.972 7.383 1.963 1.00 14.15 N ATOM 254 CA LYS A 17 6.520 7.805 3.236 1.00 40.14 C ATOM 255 C LYS A 17 6.530 9.323 3.325 1.00 14.42 C ATOM 256 O LYS A 17 6.204 10.014 2.357 1.00 0.11 O ATOM 257 CB LYS A 17 7.943 7.273 3.415 1.00 53.11 C ATOM 258 CG LYS A 17 8.087 5.774 3.225 1.00 41.45 C ATOM 259 CD LYS A 17 9.525 5.332 3.439 1.00 4.44 C ATOM 260 CE LYS A 17 9.699 3.856 3.141 1.00 70.12 C ATOM 261 NZ LYS A 17 11.093 3.405 3.361 1.00 55.20 N ATOM 0 H LYS A 17 6.671 7.111 1.271 1.00 14.15 H new ATOM 0 HA LYS A 17 5.890 7.400 4.028 1.00 40.14 H new ATOM 0 HB2 LYS A 17 8.598 7.780 2.707 1.00 53.11 H new ATOM 0 HB3 LYS A 17 8.291 7.534 4.414 1.00 53.11 H new ATOM 0 HG2 LYS A 17 7.435 5.251 3.924 1.00 41.45 H new ATOM 0 HG3 LYS A 17 7.764 5.499 2.221 1.00 41.45 H new ATOM 0 HD2 LYS A 17 10.186 5.915 2.797 1.00 4.44 H new ATOM 0 HD3 LYS A 17 9.820 5.534 4.469 1.00 4.44 H new ATOM 0 HE2 LYS A 17 9.027 3.277 3.774 1.00 70.12 H new ATOM 0 HE3 LYS A 17 9.413 3.659 2.108 1.00 70.12 H new ATOM 0 HZ1 LYS A 17 11.232 2.477 2.913 1.00 55.20 H new ATOM 0 HZ2 LYS A 17 11.751 4.093 2.942 1.00 55.20 H new ATOM 0 HZ3 LYS A 17 11.276 3.328 4.382 1.00 55.20 H new ATOM 275 N HIS A 18 6.905 9.835 4.477 1.00 12.25 N ATOM 276 CA HIS A 18 6.989 11.267 4.687 1.00 22.21 C ATOM 277 C HIS A 18 7.965 11.579 5.799 1.00 21.22 C ATOM 278 O HIS A 18 8.441 10.670 6.474 1.00 31.01 O ATOM 279 CB HIS A 18 5.600 11.901 4.952 1.00 74.13 C ATOM 280 CG HIS A 18 4.818 11.312 6.093 1.00 64.01 C ATOM 281 ND1 HIS A 18 4.560 11.995 7.262 1.00 62.15 N ATOM 282 CD2 HIS A 18 4.193 10.118 6.216 1.00 1.44 C ATOM 283 CE1 HIS A 18 3.811 11.245 8.048 1.00 45.14 C ATOM 284 NE2 HIS A 18 3.575 10.105 7.436 1.00 53.42 N ATOM 0 H HIS A 18 7.159 9.276 5.291 1.00 12.25 H new ATOM 0 HA HIS A 18 7.362 11.717 3.767 1.00 22.21 H new ATOM 0 HB2 HIS A 18 5.738 12.965 5.142 1.00 74.13 H new ATOM 0 HB3 HIS A 18 5.003 11.814 4.044 1.00 74.13 H new ATOM 0 HD1 HIS A 18 4.895 12.932 7.484 1.00 62.15 H new ATOM 0 HD2 HIS A 18 4.184 9.322 5.486 1.00 1.44 H new ATOM 0 HE1 HIS A 18 3.452 11.521 9.029 1.00 45.14 H new ATOM 293 N SER A 19 8.259 12.859 5.974 1.00 43.43 N ATOM 294 CA SER A 19 9.216 13.332 6.972 1.00 74.42 C ATOM 295 C SER A 19 8.941 12.722 8.354 1.00 53.33 C ATOM 296 O SER A 19 9.855 12.231 9.021 1.00 44.32 O ATOM 297 CB SER A 19 9.164 14.864 7.037 1.00 31.32 C ATOM 298 OG SER A 19 10.168 15.391 7.885 1.00 52.43 O ATOM 0 H SER A 19 7.838 13.608 5.424 1.00 43.43 H new ATOM 0 HA SER A 19 10.214 13.013 6.673 1.00 74.42 H new ATOM 0 HB2 SER A 19 9.284 15.274 6.034 1.00 31.32 H new ATOM 0 HB3 SER A 19 8.184 15.179 7.395 1.00 31.32 H new ATOM 0 HG SER A 19 10.104 16.369 7.899 1.00 52.43 H new ATOM 304 N GLN A 20 7.688 12.753 8.775 1.00 40.50 N ATOM 305 CA GLN A 20 7.304 12.189 10.057 1.00 52.00 C ATOM 306 C GLN A 20 7.146 10.675 9.954 1.00 60.51 C ATOM 307 O GLN A 20 6.056 10.171 9.682 1.00 41.44 O ATOM 308 CB GLN A 20 5.999 12.819 10.579 1.00 11.11 C ATOM 309 CG GLN A 20 6.009 14.341 10.632 1.00 55.34 C ATOM 310 CD GLN A 20 5.535 14.991 9.337 1.00 25.41 C ATOM 311 OE1 GLN A 20 5.657 14.417 8.243 1.00 2.14 O ATOM 312 NE2 GLN A 20 4.991 16.183 9.452 1.00 21.02 N ATOM 0 H GLN A 20 6.918 13.164 8.246 1.00 40.50 H new ATOM 0 HA GLN A 20 8.100 12.415 10.766 1.00 52.00 H new ATOM 0 HB2 GLN A 20 5.175 12.496 9.943 1.00 11.11 H new ATOM 0 HB3 GLN A 20 5.800 12.435 11.579 1.00 11.11 H new ATOM 0 HG2 GLN A 20 5.372 14.674 11.452 1.00 55.34 H new ATOM 0 HG3 GLN A 20 7.020 14.684 10.854 1.00 55.34 H new ATOM 0 HE21 GLN A 20 4.910 16.620 10.370 1.00 21.02 H new ATOM 0 HE22 GLN A 20 4.651 16.670 8.623 1.00 21.02 H new ATOM 321 N SER A 21 8.236 9.963 10.130 1.00 13.42 N ATOM 322 CA SER A 21 8.217 8.518 10.085 1.00 13.35 C ATOM 323 C SER A 21 9.449 7.957 10.773 1.00 25.02 C ATOM 324 O SER A 21 10.340 8.712 11.185 1.00 63.03 O ATOM 325 CB SER A 21 8.138 8.023 8.634 1.00 73.44 C ATOM 326 OG SER A 21 9.226 8.507 7.868 1.00 2.41 O ATOM 0 H SER A 21 9.156 10.366 10.307 1.00 13.42 H new ATOM 0 HA SER A 21 7.331 8.166 10.613 1.00 13.35 H new ATOM 0 HB2 SER A 21 8.135 6.933 8.618 1.00 73.44 H new ATOM 0 HB3 SER A 21 7.200 8.351 8.186 1.00 73.44 H new ATOM 0 HG SER A 21 8.913 9.212 7.264 1.00 2.41 H new ATOM 332 N ARG A 22 9.503 6.644 10.900 1.00 11.24 N ATOM 333 CA ARG A 22 10.634 5.991 11.535 1.00 15.42 C ATOM 334 C ARG A 22 11.762 5.739 10.534 1.00 53.33 C ATOM 335 O ARG A 22 12.853 5.311 10.911 1.00 23.43 O ATOM 336 CB ARG A 22 10.197 4.683 12.196 1.00 61.35 C ATOM 337 CG ARG A 22 9.584 3.673 11.242 1.00 33.15 C ATOM 338 CD ARG A 22 9.046 2.470 11.994 1.00 0.50 C ATOM 339 NE ARG A 22 8.408 1.501 11.102 1.00 34.32 N ATOM 340 CZ ARG A 22 7.509 0.598 11.497 1.00 64.25 C ATOM 341 NH1 ARG A 22 7.131 0.544 12.773 1.00 45.32 N ATOM 342 NH2 ARG A 22 6.989 -0.251 10.619 1.00 72.41 N ATOM 0 H ARG A 22 8.776 6.008 10.572 1.00 11.24 H new ATOM 0 HA ARG A 22 11.017 6.659 12.307 1.00 15.42 H new ATOM 0 HB2 ARG A 22 11.061 4.229 12.681 1.00 61.35 H new ATOM 0 HB3 ARG A 22 9.474 4.910 12.980 1.00 61.35 H new ATOM 0 HG2 ARG A 22 8.779 4.143 10.678 1.00 33.15 H new ATOM 0 HG3 ARG A 22 10.333 3.349 10.519 1.00 33.15 H new ATOM 0 HD2 ARG A 22 9.861 1.985 12.531 1.00 0.50 H new ATOM 0 HD3 ARG A 22 8.325 2.803 12.741 1.00 0.50 H new ATOM 0 HE ARG A 22 8.667 1.517 10.116 1.00 34.32 H new ATOM 0 HH11 ARG A 22 7.529 1.194 13.451 1.00 45.32 H new ATOM 0 HH12 ARG A 22 6.443 -0.147 13.072 1.00 45.32 H new ATOM 0 HH21 ARG A 22 7.277 -0.213 9.641 1.00 72.41 H new ATOM 0 HH22 ARG A 22 6.302 -0.941 10.922 1.00 72.41 H new ATOM 356 N ARG A 23 11.494 6.013 9.261 1.00 35.44 N ATOM 357 CA ARG A 23 12.485 5.824 8.210 1.00 62.54 C ATOM 358 C ARG A 23 12.050 6.541 6.927 1.00 73.50 C ATOM 359 O ARG A 23 11.519 5.921 6.002 1.00 23.44 O ATOM 360 CB ARG A 23 12.709 4.328 7.951 1.00 2.43 C ATOM 361 CG ARG A 23 13.913 4.011 7.076 1.00 12.41 C ATOM 362 CD ARG A 23 14.188 2.515 7.057 1.00 32.34 C ATOM 363 NE ARG A 23 14.403 1.986 8.409 1.00 1.31 N ATOM 364 CZ ARG A 23 14.112 0.737 8.790 1.00 54.25 C ATOM 365 NH1 ARG A 23 13.631 -0.141 7.911 1.00 42.21 N ATOM 366 NH2 ARG A 23 14.307 0.367 10.051 1.00 55.11 N ATOM 0 H ARG A 23 10.596 6.368 8.933 1.00 35.44 H new ATOM 0 HA ARG A 23 13.429 6.259 8.538 1.00 62.54 H new ATOM 0 HB2 ARG A 23 12.828 3.821 8.908 1.00 2.43 H new ATOM 0 HB3 ARG A 23 11.816 3.916 7.481 1.00 2.43 H new ATOM 0 HG2 ARG A 23 13.734 4.365 6.061 1.00 12.41 H new ATOM 0 HG3 ARG A 23 14.789 4.542 7.449 1.00 12.41 H new ATOM 0 HD2 ARG A 23 13.349 1.997 6.592 1.00 32.34 H new ATOM 0 HD3 ARG A 23 15.066 2.314 6.444 1.00 32.34 H new ATOM 0 HE ARG A 23 14.802 2.614 9.107 1.00 1.31 H new ATOM 0 HH11 ARG A 23 13.483 0.138 6.941 1.00 42.21 H new ATOM 0 HH12 ARG A 23 13.411 -1.092 8.208 1.00 42.21 H new ATOM 0 HH21 ARG A 23 14.678 1.035 10.727 1.00 55.11 H new ATOM 0 HH22 ARG A 23 14.086 -0.585 10.343 1.00 55.11 H new ATOM 380 N PRO A 24 12.259 7.868 6.868 1.00 43.43 N ATOM 381 CA PRO A 24 11.868 8.693 5.716 1.00 63.53 C ATOM 382 C PRO A 24 12.887 8.632 4.572 1.00 53.15 C ATOM 383 O PRO A 24 13.268 9.661 4.006 1.00 34.21 O ATOM 384 CB PRO A 24 11.827 10.099 6.315 1.00 32.24 C ATOM 385 CG PRO A 24 12.868 10.082 7.382 1.00 72.30 C ATOM 386 CD PRO A 24 12.889 8.678 7.934 1.00 73.14 C ATOM 0 HA PRO A 24 10.930 8.362 5.270 1.00 63.53 H new ATOM 0 HB2 PRO A 24 12.043 10.857 5.562 1.00 32.24 H new ATOM 0 HB3 PRO A 24 10.843 10.327 6.724 1.00 32.24 H new ATOM 0 HG2 PRO A 24 13.843 10.355 6.978 1.00 72.30 H new ATOM 0 HG3 PRO A 24 12.634 10.804 8.165 1.00 72.30 H new ATOM 0 HD2 PRO A 24 13.906 8.345 8.141 1.00 73.14 H new ATOM 0 HD3 PRO A 24 12.334 8.608 8.870 1.00 73.14 H new ATOM 394 N SER A 25 13.300 7.431 4.221 1.00 71.45 N ATOM 395 CA SER A 25 14.266 7.238 3.160 1.00 32.40 C ATOM 396 C SER A 25 13.862 6.062 2.277 1.00 40.42 C ATOM 397 O SER A 25 13.151 5.155 2.725 1.00 33.12 O ATOM 398 CB SER A 25 15.655 7.001 3.753 1.00 42.21 C ATOM 399 OG SER A 25 16.059 8.100 4.561 1.00 54.24 O ATOM 0 H SER A 25 12.978 6.568 4.659 1.00 71.45 H new ATOM 0 HA SER A 25 14.293 8.138 2.545 1.00 32.40 H new ATOM 0 HB2 SER A 25 15.649 6.089 4.350 1.00 42.21 H new ATOM 0 HB3 SER A 25 16.376 6.851 2.950 1.00 42.21 H new ATOM 0 HG SER A 25 16.375 8.829 3.987 1.00 54.24 H new ATOM 405 N SER A 26 14.291 6.095 1.026 1.00 71.21 N ATOM 406 CA SER A 26 14.006 5.029 0.086 1.00 64.43 C ATOM 407 C SER A 26 14.997 5.090 -1.075 1.00 60.34 C ATOM 408 O SER A 26 16.009 5.798 -0.999 1.00 44.10 O ATOM 409 CB SER A 26 12.564 5.143 -0.427 1.00 72.45 C ATOM 410 OG SER A 26 12.198 4.005 -1.208 1.00 51.13 O ATOM 0 H SER A 26 14.844 6.859 0.637 1.00 71.21 H new ATOM 0 HA SER A 26 14.113 4.068 0.590 1.00 64.43 H new ATOM 0 HB2 SER A 26 11.882 5.241 0.418 1.00 72.45 H new ATOM 0 HB3 SER A 26 12.460 6.047 -1.027 1.00 72.45 H new ATOM 0 HG SER A 26 11.806 4.302 -2.056 1.00 51.13 H new ATOM 415 N TRP A 27 14.716 4.354 -2.137 1.00 34.44 N ATOM 416 CA TRP A 27 15.584 4.336 -3.302 1.00 1.51 C ATOM 417 C TRP A 27 15.299 5.520 -4.214 1.00 54.15 C ATOM 418 O TRP A 27 16.128 5.887 -5.039 1.00 1.24 O ATOM 419 CB TRP A 27 15.456 3.012 -4.072 1.00 52.22 C ATOM 420 CG TRP A 27 14.059 2.679 -4.501 1.00 42.21 C ATOM 421 CD1 TRP A 27 13.118 2.020 -3.770 1.00 3.44 C ATOM 422 CD2 TRP A 27 13.448 2.977 -5.764 1.00 33.31 C ATOM 423 NE1 TRP A 27 11.962 1.895 -4.492 1.00 71.12 N ATOM 424 CE2 TRP A 27 12.136 2.473 -5.719 1.00 75.31 C ATOM 425 CE3 TRP A 27 13.882 3.623 -6.926 1.00 12.13 C ATOM 426 CZ2 TRP A 27 11.253 2.594 -6.788 1.00 44.30 C ATOM 427 CZ3 TRP A 27 13.004 3.742 -7.987 1.00 75.44 C ATOM 428 CH2 TRP A 27 11.703 3.229 -7.911 1.00 0.22 C ATOM 0 H TRP A 27 13.891 3.759 -2.216 1.00 34.44 H new ATOM 0 HA TRP A 27 16.612 4.420 -2.949 1.00 1.51 H new ATOM 0 HB2 TRP A 27 16.094 3.056 -4.955 1.00 52.22 H new ATOM 0 HB3 TRP A 27 15.834 2.203 -3.446 1.00 52.22 H new ATOM 0 HD1 TRP A 27 13.263 1.650 -2.766 1.00 3.44 H new ATOM 0 HE1 TRP A 27 11.107 1.443 -4.167 1.00 71.12 H new ATOM 0 HE3 TRP A 27 14.884 4.021 -6.993 1.00 12.13 H new ATOM 0 HZ2 TRP A 27 10.249 2.200 -6.732 1.00 44.30 H new ATOM 0 HZ3 TRP A 27 13.327 4.239 -8.890 1.00 75.44 H new ATOM 0 HH2 TRP A 27 11.042 3.338 -8.758 1.00 0.22 H new ATOM 439 N ARG A 28 14.126 6.117 -4.064 1.00 73.32 N ATOM 440 CA ARG A 28 13.774 7.279 -4.863 1.00 12.14 C ATOM 441 C ARG A 28 14.411 8.521 -4.269 1.00 64.44 C ATOM 442 O ARG A 28 15.191 9.215 -4.927 1.00 41.55 O ATOM 443 CB ARG A 28 12.259 7.464 -4.942 1.00 33.11 C ATOM 444 CG ARG A 28 11.499 6.243 -5.429 1.00 75.21 C ATOM 445 CD ARG A 28 10.069 6.600 -5.792 1.00 34.13 C ATOM 446 NE ARG A 28 9.405 7.360 -4.731 1.00 32.05 N ATOM 447 CZ ARG A 28 8.547 8.359 -4.945 1.00 22.40 C ATOM 448 NH1 ARG A 28 8.258 8.738 -6.186 1.00 32.54 N ATOM 449 NH2 ARG A 28 7.974 8.975 -3.917 1.00 1.34 N ATOM 0 H ARG A 28 13.409 5.819 -3.403 1.00 73.32 H new ATOM 0 HA ARG A 28 14.148 7.119 -5.874 1.00 12.14 H new ATOM 0 HB2 ARG A 28 11.887 7.737 -3.954 1.00 33.11 H new ATOM 0 HB3 ARG A 28 12.042 8.300 -5.607 1.00 33.11 H new ATOM 0 HG2 ARG A 28 12.003 5.819 -6.297 1.00 75.21 H new ATOM 0 HG3 ARG A 28 11.501 5.477 -4.654 1.00 75.21 H new ATOM 0 HD2 ARG A 28 10.064 7.183 -6.713 1.00 34.13 H new ATOM 0 HD3 ARG A 28 9.507 5.687 -5.990 1.00 34.13 H new ATOM 0 HE ARG A 28 9.612 7.109 -3.764 1.00 32.05 H new ATOM 0 HH11 ARG A 28 8.693 8.265 -6.978 1.00 32.54 H new ATOM 0 HH12 ARG A 28 7.602 9.502 -6.346 1.00 32.54 H new ATOM 0 HH21 ARG A 28 8.190 8.684 -2.963 1.00 1.34 H new ATOM 0 HH22 ARG A 28 7.318 9.739 -4.081 1.00 1.34 H new ATOM 463 N GLN A 29 14.078 8.796 -3.021 1.00 21.11 N ATOM 464 CA GLN A 29 14.632 9.930 -2.312 1.00 54.54 C ATOM 465 C GLN A 29 15.440 9.453 -1.122 1.00 32.35 C ATOM 466 O GLN A 29 15.007 8.558 -0.388 1.00 63.43 O ATOM 467 CB GLN A 29 13.521 10.873 -1.840 1.00 33.24 C ATOM 468 CG GLN A 29 12.707 11.489 -2.968 1.00 3.42 C ATOM 469 CD GLN A 29 11.663 12.477 -2.472 1.00 5.22 C ATOM 470 OE1 GLN A 29 10.600 12.630 -3.076 1.00 50.11 O ATOM 471 NE2 GLN A 29 11.958 13.161 -1.382 1.00 52.20 N ATOM 0 H GLN A 29 13.419 8.241 -2.475 1.00 21.11 H new ATOM 0 HA GLN A 29 15.283 10.476 -2.995 1.00 54.54 H new ATOM 0 HB2 GLN A 29 12.849 10.324 -1.180 1.00 33.24 H new ATOM 0 HB3 GLN A 29 13.966 11.673 -1.248 1.00 33.24 H new ATOM 0 HG2 GLN A 29 13.380 11.996 -3.660 1.00 3.42 H new ATOM 0 HG3 GLN A 29 12.212 10.695 -3.528 1.00 3.42 H new ATOM 0 HE21 GLN A 29 12.848 13.007 -0.909 1.00 52.20 H new ATOM 0 HE22 GLN A 29 11.296 13.843 -1.013 1.00 52.20 H new ATOM 480 N GLU A 30 16.611 10.035 -0.936 1.00 53.33 N ATOM 481 CA GLU A 30 17.462 9.680 0.186 1.00 44.15 C ATOM 482 C GLU A 30 16.887 10.251 1.477 1.00 51.42 C ATOM 483 O GLU A 30 17.020 9.662 2.547 1.00 61.42 O ATOM 484 CB GLU A 30 18.897 10.172 -0.045 1.00 25.13 C ATOM 485 CG GLU A 30 19.006 11.658 -0.336 1.00 21.41 C ATOM 486 CD GLU A 30 20.424 12.096 -0.596 1.00 71.32 C ATOM 487 OE1 GLU A 30 21.138 12.405 0.375 1.00 73.42 O ATOM 488 OE2 GLU A 30 20.832 12.130 -1.775 1.00 51.41 O ATOM 0 H GLU A 30 16.995 10.756 -1.547 1.00 53.33 H new ATOM 0 HA GLU A 30 17.494 8.594 0.274 1.00 44.15 H new ATOM 0 HB2 GLU A 30 19.495 9.941 0.837 1.00 25.13 H new ATOM 0 HB3 GLU A 30 19.330 9.617 -0.878 1.00 25.13 H new ATOM 0 HG2 GLU A 30 18.390 11.901 -1.202 1.00 21.41 H new ATOM 0 HG3 GLU A 30 18.605 12.220 0.508 1.00 21.41 H new ATOM 495 N LYS A 31 16.237 11.393 1.357 1.00 41.40 N ATOM 496 CA LYS A 31 15.585 12.029 2.478 1.00 22.32 C ATOM 497 C LYS A 31 14.256 12.628 2.034 1.00 12.12 C ATOM 498 O LYS A 31 14.208 13.550 1.219 1.00 12.12 O ATOM 499 CB LYS A 31 16.493 13.094 3.124 1.00 72.44 C ATOM 500 CG LYS A 31 17.032 14.140 2.156 1.00 11.31 C ATOM 501 CD LYS A 31 17.900 15.172 2.865 1.00 35.51 C ATOM 502 CE LYS A 31 19.133 14.540 3.504 1.00 40.11 C ATOM 503 NZ LYS A 31 20.013 13.886 2.502 1.00 21.22 N ATOM 0 H LYS A 31 16.148 11.903 0.478 1.00 41.40 H new ATOM 0 HA LYS A 31 15.387 11.274 3.239 1.00 22.32 H new ATOM 0 HB2 LYS A 31 15.934 13.600 3.911 1.00 72.44 H new ATOM 0 HB3 LYS A 31 17.335 12.593 3.603 1.00 72.44 H new ATOM 0 HG2 LYS A 31 17.615 13.648 1.377 1.00 11.31 H new ATOM 0 HG3 LYS A 31 16.200 14.642 1.663 1.00 11.31 H new ATOM 0 HD2 LYS A 31 18.212 15.935 2.152 1.00 35.51 H new ATOM 0 HD3 LYS A 31 17.312 15.675 3.632 1.00 35.51 H new ATOM 0 HE2 LYS A 31 19.698 15.306 4.035 1.00 40.11 H new ATOM 0 HE3 LYS A 31 18.819 13.804 4.244 1.00 40.11 H new ATOM 0 HZ1 LYS A 31 20.968 13.774 2.899 1.00 21.22 H new ATOM 0 HZ2 LYS A 31 19.627 12.951 2.259 1.00 21.22 H new ATOM 0 HZ3 LYS A 31 20.061 14.474 1.646 1.00 21.22 H new ATOM 517 N ILE A 32 13.182 12.073 2.541 1.00 32.35 N ATOM 518 CA ILE A 32 11.857 12.526 2.192 1.00 33.23 C ATOM 519 C ILE A 32 11.472 13.754 3.011 1.00 61.32 C ATOM 520 O ILE A 32 11.417 13.708 4.242 1.00 74.01 O ATOM 521 CB ILE A 32 10.827 11.400 2.379 1.00 73.10 C ATOM 522 CG1 ILE A 32 11.174 10.232 1.449 1.00 14.53 C ATOM 523 CG2 ILE A 32 9.424 11.908 2.102 1.00 65.41 C ATOM 524 CD1 ILE A 32 10.302 9.018 1.637 1.00 71.32 C ATOM 0 H ILE A 32 13.201 11.298 3.204 1.00 32.35 H new ATOM 0 HA ILE A 32 11.862 12.808 1.139 1.00 33.23 H new ATOM 0 HB ILE A 32 10.859 11.054 3.412 1.00 73.10 H new ATOM 0 HG12 ILE A 32 11.093 10.568 0.415 1.00 14.53 H new ATOM 0 HG13 ILE A 32 12.214 9.948 1.612 1.00 14.53 H new ATOM 0 HG21 ILE A 32 8.709 11.096 2.240 1.00 65.41 H new ATOM 0 HG22 ILE A 32 9.188 12.720 2.790 1.00 65.41 H new ATOM 0 HG23 ILE A 32 9.365 12.273 1.077 1.00 65.41 H new ATOM 0 HD11 ILE A 32 10.611 8.237 0.943 1.00 71.32 H new ATOM 0 HD12 ILE A 32 10.400 8.654 2.660 1.00 71.32 H new ATOM 0 HD13 ILE A 32 9.262 9.283 1.445 1.00 71.32 H new ATOM 536 N THR A 33 11.213 14.844 2.315 1.00 53.52 N ATOM 537 CA THR A 33 10.909 16.116 2.942 1.00 12.30 C ATOM 538 C THR A 33 9.403 16.382 3.039 1.00 2.31 C ATOM 539 O THR A 33 8.975 17.262 3.791 1.00 34.55 O ATOM 540 CB THR A 33 11.568 17.260 2.155 1.00 32.14 C ATOM 541 OG1 THR A 33 11.266 17.108 0.759 1.00 45.14 O ATOM 542 CG2 THR A 33 13.076 17.252 2.347 1.00 63.33 C ATOM 0 H THR A 33 11.207 14.873 1.295 1.00 53.52 H new ATOM 0 HA THR A 33 11.305 16.069 3.956 1.00 12.30 H new ATOM 0 HB THR A 33 11.177 18.208 2.525 1.00 32.14 H new ATOM 0 HG1 THR A 33 11.683 17.836 0.253 1.00 45.14 H new ATOM 0 HG21 THR A 33 13.519 18.071 1.780 1.00 63.33 H new ATOM 0 HG22 THR A 33 13.309 17.375 3.405 1.00 63.33 H new ATOM 0 HG23 THR A 33 13.483 16.304 1.994 1.00 63.33 H new ATOM 550 N ARG A 34 8.605 15.631 2.277 1.00 75.41 N ATOM 551 CA ARG A 34 7.154 15.830 2.269 1.00 51.41 C ATOM 552 C ARG A 34 6.570 15.605 3.665 1.00 1.13 C ATOM 553 O ARG A 34 6.986 14.690 4.388 1.00 11.43 O ATOM 554 CB ARG A 34 6.474 14.914 1.233 1.00 23.14 C ATOM 555 CG ARG A 34 6.351 13.464 1.657 1.00 21.12 C ATOM 556 CD ARG A 34 5.890 12.583 0.510 1.00 4.04 C ATOM 557 NE ARG A 34 6.912 12.466 -0.532 1.00 72.12 N ATOM 558 CZ ARG A 34 7.520 11.323 -0.867 1.00 34.22 C ATOM 559 NH1 ARG A 34 7.222 10.194 -0.239 1.00 42.44 N ATOM 560 NH2 ARG A 34 8.439 11.311 -1.822 1.00 11.32 N ATOM 0 H ARG A 34 8.935 14.886 1.663 1.00 75.41 H new ATOM 0 HA ARG A 34 6.957 16.862 1.980 1.00 51.41 H new ATOM 0 HB2 ARG A 34 5.478 15.303 1.022 1.00 23.14 H new ATOM 0 HB3 ARG A 34 7.038 14.960 0.301 1.00 23.14 H new ATOM 0 HG2 ARG A 34 7.314 13.109 2.025 1.00 21.12 H new ATOM 0 HG3 ARG A 34 5.645 13.385 2.484 1.00 21.12 H new ATOM 0 HD2 ARG A 34 5.643 11.592 0.890 1.00 4.04 H new ATOM 0 HD3 ARG A 34 4.978 12.995 0.079 1.00 4.04 H new ATOM 0 HE ARG A 34 7.178 13.312 -1.036 1.00 72.12 H new ATOM 0 HH11 ARG A 34 6.525 10.193 0.505 1.00 42.44 H new ATOM 0 HH12 ARG A 34 7.690 9.326 -0.500 1.00 42.44 H new ATOM 0 HH21 ARG A 34 8.685 12.176 -2.304 1.00 11.32 H new ATOM 0 HH22 ARG A 34 8.901 10.437 -2.075 1.00 11.32 H new ATOM 574 N THR A 35 5.625 16.439 4.043 1.00 44.14 N ATOM 575 CA THR A 35 5.034 16.357 5.361 1.00 53.33 C ATOM 576 C THR A 35 3.872 15.348 5.401 1.00 61.14 C ATOM 577 O THR A 35 3.535 14.719 4.389 1.00 22.35 O ATOM 578 CB THR A 35 4.559 17.753 5.860 1.00 14.12 C ATOM 579 OG1 THR A 35 4.196 17.687 7.247 1.00 70.43 O ATOM 580 CG2 THR A 35 3.368 18.253 5.054 1.00 30.34 C ATOM 0 H THR A 35 5.249 17.183 3.455 1.00 44.14 H new ATOM 0 HA THR A 35 5.813 16.001 6.036 1.00 53.33 H new ATOM 0 HB THR A 35 5.387 18.450 5.728 1.00 14.12 H new ATOM 0 HG1 THR A 35 4.856 18.176 7.782 1.00 70.43 H new ATOM 0 HG21 THR A 35 3.060 19.230 5.427 1.00 30.34 H new ATOM 0 HG22 THR A 35 3.649 18.338 4.004 1.00 30.34 H new ATOM 0 HG23 THR A 35 2.541 17.550 5.153 1.00 30.34 H new ATOM 588 N LYS A 36 3.279 15.207 6.577 1.00 10.51 N ATOM 589 CA LYS A 36 2.188 14.276 6.821 1.00 54.51 C ATOM 590 C LYS A 36 0.968 14.602 5.959 1.00 61.44 C ATOM 591 O LYS A 36 0.466 13.743 5.227 1.00 3.34 O ATOM 592 CB LYS A 36 1.825 14.308 8.311 1.00 14.34 C ATOM 593 CG LYS A 36 0.623 13.466 8.689 1.00 13.11 C ATOM 594 CD LYS A 36 0.373 13.511 10.186 1.00 10.14 C ATOM 595 CE LYS A 36 -0.945 12.850 10.555 1.00 54.24 C ATOM 596 NZ LYS A 36 -0.988 11.423 10.155 1.00 54.24 N ATOM 0 H LYS A 36 3.547 15.745 7.401 1.00 10.51 H new ATOM 0 HA LYS A 36 2.515 13.273 6.546 1.00 54.51 H new ATOM 0 HB2 LYS A 36 2.685 13.968 8.888 1.00 14.34 H new ATOM 0 HB3 LYS A 36 1.634 15.341 8.602 1.00 14.34 H new ATOM 0 HG2 LYS A 36 -0.259 13.827 8.159 1.00 13.11 H new ATOM 0 HG3 LYS A 36 0.784 12.435 8.375 1.00 13.11 H new ATOM 0 HD2 LYS A 36 1.190 13.011 10.707 1.00 10.14 H new ATOM 0 HD3 LYS A 36 0.367 14.548 10.523 1.00 10.14 H new ATOM 0 HE2 LYS A 36 -1.100 12.929 11.631 1.00 54.24 H new ATOM 0 HE3 LYS A 36 -1.765 13.385 10.075 1.00 54.24 H new ATOM 0 HZ1 LYS A 36 -1.853 10.983 10.530 1.00 54.24 H new ATOM 0 HZ2 LYS A 36 -0.986 11.353 9.117 1.00 54.24 H new ATOM 0 HZ3 LYS A 36 -0.156 10.930 10.537 1.00 54.24 H new ATOM 610 N GLU A 37 0.502 15.840 6.050 1.00 33.45 N ATOM 611 CA GLU A 37 -0.656 16.289 5.283 1.00 14.42 C ATOM 612 C GLU A 37 -0.416 16.143 3.782 1.00 60.43 C ATOM 613 O GLU A 37 -1.292 15.689 3.045 1.00 51.30 O ATOM 614 CB GLU A 37 -1.001 17.753 5.608 1.00 51.21 C ATOM 615 CG GLU A 37 -1.303 18.028 7.078 1.00 60.23 C ATOM 616 CD GLU A 37 -0.056 18.224 7.918 1.00 62.03 C ATOM 617 OE1 GLU A 37 0.478 17.231 8.448 1.00 4.13 O ATOM 618 OE2 GLU A 37 0.389 19.377 8.058 1.00 74.54 O ATOM 0 H GLU A 37 0.910 16.556 6.651 1.00 33.45 H new ATOM 0 HA GLU A 37 -1.496 15.655 5.568 1.00 14.42 H new ATOM 0 HB2 GLU A 37 -0.169 18.385 5.298 1.00 51.21 H new ATOM 0 HB3 GLU A 37 -1.865 18.049 5.013 1.00 51.21 H new ATOM 0 HG2 GLU A 37 -1.928 18.918 7.153 1.00 60.23 H new ATOM 0 HG3 GLU A 37 -1.881 17.198 7.485 1.00 60.23 H new ATOM 625 N GLU A 38 0.776 16.516 3.345 1.00 52.53 N ATOM 626 CA GLU A 38 1.138 16.464 1.934 1.00 40.23 C ATOM 627 C GLU A 38 1.095 15.037 1.393 1.00 31.14 C ATOM 628 O GLU A 38 0.510 14.785 0.343 1.00 51.55 O ATOM 629 CB GLU A 38 2.521 17.079 1.723 1.00 23.15 C ATOM 630 CG GLU A 38 3.029 16.986 0.298 1.00 41.20 C ATOM 631 CD GLU A 38 4.288 17.785 0.081 1.00 20.23 C ATOM 632 OE1 GLU A 38 5.142 17.817 0.987 1.00 62.13 O ATOM 633 OE2 GLU A 38 4.426 18.404 -0.993 1.00 71.31 O ATOM 0 H GLU A 38 1.518 16.862 3.953 1.00 52.53 H new ATOM 0 HA GLU A 38 0.403 17.045 1.378 1.00 40.23 H new ATOM 0 HB2 GLU A 38 2.489 18.128 2.018 1.00 23.15 H new ATOM 0 HB3 GLU A 38 3.232 16.583 2.384 1.00 23.15 H new ATOM 0 HG2 GLU A 38 3.218 15.941 0.051 1.00 41.20 H new ATOM 0 HG3 GLU A 38 2.256 17.340 -0.384 1.00 41.20 H new ATOM 640 N ALA A 39 1.697 14.105 2.124 1.00 40.00 N ATOM 641 CA ALA A 39 1.730 12.706 1.704 1.00 3.11 C ATOM 642 C ALA A 39 0.320 12.151 1.527 1.00 24.04 C ATOM 643 O ALA A 39 0.061 11.359 0.619 1.00 23.13 O ATOM 644 CB ALA A 39 2.506 11.871 2.708 1.00 34.10 C ATOM 0 H ALA A 39 2.168 14.291 3.009 1.00 40.00 H new ATOM 0 HA ALA A 39 2.235 12.655 0.739 1.00 3.11 H new ATOM 0 HB1 ALA A 39 2.522 10.831 2.381 1.00 34.10 H new ATOM 0 HB2 ALA A 39 3.528 12.244 2.780 1.00 34.10 H new ATOM 0 HB3 ALA A 39 2.026 11.937 3.684 1.00 34.10 H new ATOM 650 N LEU A 40 -0.589 12.592 2.384 1.00 11.42 N ATOM 651 CA LEU A 40 -1.972 12.142 2.341 1.00 24.53 C ATOM 652 C LEU A 40 -2.670 12.615 1.065 1.00 42.32 C ATOM 653 O LEU A 40 -3.494 11.895 0.496 1.00 33.54 O ATOM 654 CB LEU A 40 -2.723 12.629 3.583 1.00 3.52 C ATOM 655 CG LEU A 40 -4.187 12.197 3.701 1.00 53.22 C ATOM 656 CD1 LEU A 40 -4.314 10.681 3.642 1.00 22.04 C ATOM 657 CD2 LEU A 40 -4.783 12.728 4.990 1.00 30.01 C ATOM 0 H LEU A 40 -0.391 13.266 3.123 1.00 11.42 H new ATOM 0 HA LEU A 40 -1.976 11.052 2.333 1.00 24.53 H new ATOM 0 HB2 LEU A 40 -2.190 12.277 4.466 1.00 3.52 H new ATOM 0 HB3 LEU A 40 -2.685 13.718 3.601 1.00 3.52 H new ATOM 0 HG LEU A 40 -4.738 12.614 2.858 1.00 53.22 H new ATOM 0 HD11 LEU A 40 -5.364 10.400 3.728 1.00 22.04 H new ATOM 0 HD12 LEU A 40 -3.918 10.319 2.693 1.00 22.04 H new ATOM 0 HD13 LEU A 40 -3.751 10.237 4.463 1.00 22.04 H new ATOM 0 HD21 LEU A 40 -5.825 12.416 5.065 1.00 30.01 H new ATOM 0 HD22 LEU A 40 -4.224 12.334 5.839 1.00 30.01 H new ATOM 0 HD23 LEU A 40 -4.730 13.817 4.994 1.00 30.01 H new ATOM 669 N GLU A 41 -2.324 13.814 0.609 1.00 33.15 N ATOM 670 CA GLU A 41 -2.908 14.365 -0.612 1.00 22.55 C ATOM 671 C GLU A 41 -2.498 13.532 -1.814 1.00 10.45 C ATOM 672 O GLU A 41 -3.284 13.324 -2.745 1.00 70.14 O ATOM 673 CB GLU A 41 -2.482 15.816 -0.804 1.00 11.33 C ATOM 674 CG GLU A 41 -2.881 16.721 0.343 1.00 22.25 C ATOM 675 CD GLU A 41 -4.378 16.744 0.577 1.00 53.32 C ATOM 676 OE1 GLU A 41 -4.885 15.871 1.307 1.00 33.34 O ATOM 677 OE2 GLU A 41 -5.054 17.645 0.044 1.00 45.02 O ATOM 0 H GLU A 41 -1.644 14.423 1.064 1.00 33.15 H new ATOM 0 HA GLU A 41 -3.994 14.335 -0.518 1.00 22.55 H new ATOM 0 HB2 GLU A 41 -1.400 15.855 -0.927 1.00 11.33 H new ATOM 0 HB3 GLU A 41 -2.922 16.196 -1.726 1.00 11.33 H new ATOM 0 HG2 GLU A 41 -2.380 16.390 1.253 1.00 22.25 H new ATOM 0 HG3 GLU A 41 -2.534 17.734 0.139 1.00 22.25 H new ATOM 684 N LEU A 42 -1.261 13.058 -1.790 1.00 73.11 N ATOM 685 CA LEU A 42 -0.760 12.185 -2.837 1.00 30.14 C ATOM 686 C LEU A 42 -1.531 10.875 -2.818 1.00 32.23 C ATOM 687 O LEU A 42 -2.031 10.422 -3.846 1.00 54.15 O ATOM 688 CB LEU A 42 0.745 11.916 -2.656 1.00 34.22 C ATOM 689 CG LEU A 42 1.709 12.972 -3.230 1.00 72.33 C ATOM 690 CD1 LEU A 42 1.457 14.347 -2.631 1.00 53.41 C ATOM 691 CD2 LEU A 42 3.151 12.549 -2.998 1.00 24.20 C ATOM 0 H LEU A 42 -0.586 13.265 -1.054 1.00 73.11 H new ATOM 0 HA LEU A 42 -0.902 12.677 -3.799 1.00 30.14 H new ATOM 0 HB2 LEU A 42 0.947 11.814 -1.590 1.00 34.22 H new ATOM 0 HB3 LEU A 42 0.977 10.956 -3.117 1.00 34.22 H new ATOM 0 HG LEU A 42 1.526 13.041 -4.302 1.00 72.33 H new ATOM 0 HD11 LEU A 42 2.156 15.065 -3.060 1.00 53.41 H new ATOM 0 HD12 LEU A 42 0.436 14.658 -2.852 1.00 53.41 H new ATOM 0 HD13 LEU A 42 1.598 14.305 -1.551 1.00 53.41 H new ATOM 0 HD21 LEU A 42 3.822 13.304 -3.408 1.00 24.20 H new ATOM 0 HD22 LEU A 42 3.332 12.445 -1.928 1.00 24.20 H new ATOM 0 HD23 LEU A 42 3.334 11.594 -3.491 1.00 24.20 H new ATOM 703 N ILE A 43 -1.643 10.293 -1.627 1.00 35.53 N ATOM 704 CA ILE A 43 -2.364 9.038 -1.429 1.00 21.31 C ATOM 705 C ILE A 43 -3.796 9.136 -1.950 1.00 72.42 C ATOM 706 O ILE A 43 -4.203 8.356 -2.812 1.00 1.23 O ATOM 707 CB ILE A 43 -2.386 8.643 0.071 1.00 61.22 C ATOM 708 CG1 ILE A 43 -0.973 8.311 0.559 1.00 62.53 C ATOM 709 CG2 ILE A 43 -3.330 7.472 0.322 1.00 52.03 C ATOM 710 CD1 ILE A 43 -0.370 7.081 -0.091 1.00 14.22 C ATOM 0 H ILE A 43 -1.238 10.677 -0.773 1.00 35.53 H new ATOM 0 HA ILE A 43 -1.837 8.269 -1.993 1.00 21.31 H new ATOM 0 HB ILE A 43 -2.758 9.497 0.637 1.00 61.22 H new ATOM 0 HG12 ILE A 43 -0.324 9.165 0.369 1.00 62.53 H new ATOM 0 HG13 ILE A 43 -0.998 8.164 1.639 1.00 62.53 H new ATOM 0 HG21 ILE A 43 -3.323 7.220 1.382 1.00 52.03 H new ATOM 0 HG22 ILE A 43 -4.341 7.749 0.022 1.00 52.03 H new ATOM 0 HG23 ILE A 43 -3.002 6.610 -0.258 1.00 52.03 H new ATOM 0 HD11 ILE A 43 0.631 6.913 0.307 1.00 14.22 H new ATOM 0 HD12 ILE A 43 -0.996 6.214 0.121 1.00 14.22 H new ATOM 0 HD13 ILE A 43 -0.311 7.231 -1.169 1.00 14.22 H new ATOM 722 N ASN A 44 -4.543 10.110 -1.438 1.00 44.31 N ATOM 723 CA ASN A 44 -5.938 10.309 -1.840 1.00 4.01 C ATOM 724 C ASN A 44 -6.054 10.518 -3.341 1.00 14.34 C ATOM 725 O ASN A 44 -6.939 9.954 -3.991 1.00 44.43 O ATOM 726 CB ASN A 44 -6.558 11.498 -1.095 1.00 11.43 C ATOM 727 CG ASN A 44 -6.830 11.201 0.369 1.00 74.21 C ATOM 728 OD1 ASN A 44 -7.118 10.061 0.746 1.00 73.44 O ATOM 729 ND2 ASN A 44 -6.743 12.218 1.202 1.00 52.44 N ATOM 0 H ASN A 44 -4.208 10.777 -0.742 1.00 44.31 H new ATOM 0 HA ASN A 44 -6.487 9.405 -1.575 1.00 4.01 H new ATOM 0 HB2 ASN A 44 -5.889 12.355 -1.168 1.00 11.43 H new ATOM 0 HB3 ASN A 44 -7.491 11.779 -1.583 1.00 11.43 H new ATOM 0 HD21 ASN A 44 -6.916 12.078 2.197 1.00 52.44 H new ATOM 0 HD22 ASN A 44 -6.502 13.145 0.852 1.00 52.44 H new ATOM 736 N GLY A 45 -5.145 11.315 -3.890 1.00 35.35 N ATOM 737 CA GLY A 45 -5.154 11.585 -5.310 1.00 64.25 C ATOM 738 C GLY A 45 -5.000 10.328 -6.136 1.00 72.24 C ATOM 739 O GLY A 45 -5.783 10.082 -7.058 1.00 63.53 O ATOM 0 H GLY A 45 -4.400 11.780 -3.372 1.00 35.35 H new ATOM 0 HA2 GLY A 45 -6.088 12.080 -5.577 1.00 64.25 H new ATOM 0 HA3 GLY A 45 -4.346 12.276 -5.551 1.00 64.25 H new ATOM 743 N TYR A 46 -4.004 9.520 -5.797 1.00 43.01 N ATOM 744 CA TYR A 46 -3.752 8.286 -6.521 1.00 55.11 C ATOM 745 C TYR A 46 -4.894 7.296 -6.337 1.00 64.14 C ATOM 746 O TYR A 46 -5.350 6.692 -7.304 1.00 71.11 O ATOM 747 CB TYR A 46 -2.415 7.661 -6.105 1.00 3.23 C ATOM 748 CG TYR A 46 -1.209 8.492 -6.500 1.00 73.10 C ATOM 749 CD1 TYR A 46 -1.071 8.975 -7.798 1.00 52.13 C ATOM 750 CD2 TYR A 46 -0.212 8.793 -5.582 1.00 43.25 C ATOM 751 CE1 TYR A 46 0.022 9.734 -8.165 1.00 23.11 C ATOM 752 CE2 TYR A 46 0.885 9.552 -5.942 1.00 11.35 C ATOM 753 CZ TYR A 46 0.995 10.020 -7.235 1.00 71.34 C ATOM 754 OH TYR A 46 2.085 10.781 -7.598 1.00 43.04 O ATOM 0 H TYR A 46 -3.360 9.698 -5.026 1.00 43.01 H new ATOM 0 HA TYR A 46 -3.691 8.534 -7.581 1.00 55.11 H new ATOM 0 HB2 TYR A 46 -2.410 7.519 -5.024 1.00 3.23 H new ATOM 0 HB3 TYR A 46 -2.329 6.673 -6.557 1.00 3.23 H new ATOM 0 HD1 TYR A 46 -1.832 8.752 -8.531 1.00 52.13 H new ATOM 0 HD2 TYR A 46 -0.295 8.428 -4.569 1.00 43.25 H new ATOM 0 HE1 TYR A 46 0.113 10.101 -9.177 1.00 23.11 H new ATOM 0 HE2 TYR A 46 1.652 9.777 -5.216 1.00 11.35 H new ATOM 0 HH TYR A 46 2.814 10.192 -7.886 1.00 43.04 H new ATOM 764 N ILE A 47 -5.372 7.157 -5.097 1.00 60.12 N ATOM 765 CA ILE A 47 -6.483 6.249 -4.785 1.00 32.51 C ATOM 766 C ILE A 47 -7.681 6.512 -5.695 1.00 72.35 C ATOM 767 O ILE A 47 -8.260 5.581 -6.272 1.00 52.23 O ATOM 768 CB ILE A 47 -6.928 6.379 -3.296 1.00 23.41 C ATOM 769 CG1 ILE A 47 -5.898 5.726 -2.369 1.00 31.12 C ATOM 770 CG2 ILE A 47 -8.317 5.778 -3.072 1.00 53.03 C ATOM 771 CD1 ILE A 47 -6.267 5.789 -0.900 1.00 52.32 C ATOM 0 H ILE A 47 -5.007 7.663 -4.290 1.00 60.12 H new ATOM 0 HA ILE A 47 -6.120 5.235 -4.955 1.00 32.51 H new ATOM 0 HB ILE A 47 -6.987 7.441 -3.057 1.00 23.41 H new ATOM 0 HG12 ILE A 47 -5.774 4.682 -2.658 1.00 31.12 H new ATOM 0 HG13 ILE A 47 -4.934 6.214 -2.513 1.00 31.12 H new ATOM 0 HG21 ILE A 47 -8.595 5.886 -2.024 1.00 53.03 H new ATOM 0 HG22 ILE A 47 -9.044 6.299 -3.696 1.00 53.03 H new ATOM 0 HG23 ILE A 47 -8.303 4.721 -3.337 1.00 53.03 H new ATOM 0 HD11 ILE A 47 -5.489 5.306 -0.308 1.00 52.32 H new ATOM 0 HD12 ILE A 47 -6.362 6.831 -0.593 1.00 52.32 H new ATOM 0 HD13 ILE A 47 -7.215 5.276 -0.741 1.00 52.32 H new ATOM 783 N GLN A 48 -8.025 7.777 -5.841 1.00 72.43 N ATOM 784 CA GLN A 48 -9.161 8.169 -6.652 1.00 51.31 C ATOM 785 C GLN A 48 -8.946 7.842 -8.131 1.00 45.10 C ATOM 786 O GLN A 48 -9.888 7.477 -8.833 1.00 71.23 O ATOM 787 CB GLN A 48 -9.461 9.656 -6.469 1.00 31.10 C ATOM 788 CG GLN A 48 -9.870 10.026 -5.049 1.00 71.35 C ATOM 789 CD GLN A 48 -11.095 9.265 -4.573 1.00 61.32 C ATOM 790 OE1 GLN A 48 -11.965 8.900 -5.368 1.00 54.53 O ATOM 791 NE2 GLN A 48 -11.171 9.017 -3.280 1.00 13.42 N ATOM 0 H GLN A 48 -7.530 8.555 -5.405 1.00 72.43 H new ATOM 0 HA GLN A 48 -10.021 7.591 -6.312 1.00 51.31 H new ATOM 0 HB2 GLN A 48 -8.578 10.233 -6.746 1.00 31.10 H new ATOM 0 HB3 GLN A 48 -10.258 9.944 -7.154 1.00 31.10 H new ATOM 0 HG2 GLN A 48 -9.039 9.827 -4.373 1.00 71.35 H new ATOM 0 HG3 GLN A 48 -10.071 11.096 -5.001 1.00 71.35 H new ATOM 0 HE21 GLN A 48 -10.431 9.336 -2.655 1.00 13.42 H new ATOM 0 HE22 GLN A 48 -11.970 8.506 -2.905 1.00 13.42 H new ATOM 800 N LYS A 49 -7.708 7.941 -8.596 1.00 12.40 N ATOM 801 CA LYS A 49 -7.410 7.675 -9.998 1.00 74.43 C ATOM 802 C LYS A 49 -7.345 6.176 -10.282 1.00 75.51 C ATOM 803 O LYS A 49 -7.716 5.725 -11.370 1.00 71.41 O ATOM 804 CB LYS A 49 -6.111 8.364 -10.424 1.00 12.33 C ATOM 805 CG LYS A 49 -6.119 9.866 -10.181 1.00 35.42 C ATOM 806 CD LYS A 49 -4.983 10.571 -10.904 1.00 22.33 C ATOM 807 CE LYS A 49 -5.210 10.605 -12.412 1.00 22.54 C ATOM 808 NZ LYS A 49 -6.516 11.227 -12.770 1.00 74.23 N ATOM 0 H LYS A 49 -6.900 8.201 -8.030 1.00 12.40 H new ATOM 0 HA LYS A 49 -8.226 8.090 -10.589 1.00 74.43 H new ATOM 0 HB2 LYS A 49 -5.277 7.919 -9.881 1.00 12.33 H new ATOM 0 HB3 LYS A 49 -5.938 8.175 -11.484 1.00 12.33 H new ATOM 0 HG2 LYS A 49 -7.071 10.281 -10.512 1.00 35.42 H new ATOM 0 HG3 LYS A 49 -6.042 10.060 -9.111 1.00 35.42 H new ATOM 0 HD2 LYS A 49 -4.888 11.589 -10.527 1.00 22.33 H new ATOM 0 HD3 LYS A 49 -4.043 10.062 -10.689 1.00 22.33 H new ATOM 0 HE2 LYS A 49 -4.402 11.161 -12.887 1.00 22.54 H new ATOM 0 HE3 LYS A 49 -5.173 9.590 -12.806 1.00 22.54 H new ATOM 0 HZ1 LYS A 49 -6.542 11.415 -13.793 1.00 74.23 H new ATOM 0 HZ2 LYS A 49 -7.290 10.580 -12.517 1.00 74.23 H new ATOM 0 HZ3 LYS A 49 -6.629 12.121 -12.251 1.00 74.23 H new ATOM 822 N ILE A 50 -6.884 5.406 -9.306 1.00 71.41 N ATOM 823 CA ILE A 50 -6.797 3.956 -9.458 1.00 45.25 C ATOM 824 C ILE A 50 -8.193 3.339 -9.526 1.00 12.43 C ATOM 825 O ILE A 50 -8.493 2.557 -10.429 1.00 42.32 O ATOM 826 CB ILE A 50 -6.002 3.298 -8.300 1.00 62.12 C ATOM 827 CG1 ILE A 50 -4.591 3.884 -8.221 1.00 43.10 C ATOM 828 CG2 ILE A 50 -5.937 1.785 -8.490 1.00 65.44 C ATOM 829 CD1 ILE A 50 -3.789 3.395 -7.031 1.00 14.50 C ATOM 0 H ILE A 50 -6.565 5.757 -8.403 1.00 71.41 H new ATOM 0 HA ILE A 50 -6.264 3.766 -10.390 1.00 45.25 H new ATOM 0 HB ILE A 50 -6.519 3.508 -7.364 1.00 62.12 H new ATOM 0 HG12 ILE A 50 -4.053 3.636 -9.136 1.00 43.10 H new ATOM 0 HG13 ILE A 50 -4.661 4.971 -8.178 1.00 43.10 H new ATOM 0 HG21 ILE A 50 -5.376 1.339 -7.669 1.00 65.44 H new ATOM 0 HG22 ILE A 50 -6.947 1.376 -8.503 1.00 65.44 H new ATOM 0 HG23 ILE A 50 -5.441 1.558 -9.434 1.00 65.44 H new ATOM 0 HD11 ILE A 50 -2.801 3.855 -7.045 1.00 14.50 H new ATOM 0 HD12 ILE A 50 -4.303 3.667 -6.109 1.00 14.50 H new ATOM 0 HD13 ILE A 50 -3.686 2.311 -7.083 1.00 14.50 H new ATOM 841 N LYS A 51 -9.052 3.722 -8.579 1.00 44.13 N ATOM 842 CA LYS A 51 -10.427 3.207 -8.516 1.00 25.20 C ATOM 843 C LYS A 51 -11.224 3.569 -9.769 1.00 51.20 C ATOM 844 O LYS A 51 -12.105 2.820 -10.194 1.00 14.21 O ATOM 845 CB LYS A 51 -11.148 3.743 -7.273 1.00 61.22 C ATOM 846 CG LYS A 51 -10.645 3.166 -5.953 1.00 42.34 C ATOM 847 CD LYS A 51 -10.986 1.682 -5.809 1.00 71.25 C ATOM 848 CE LYS A 51 -12.491 1.459 -5.732 1.00 31.31 C ATOM 849 NZ LYS A 51 -12.841 0.021 -5.617 1.00 64.31 N ATOM 0 H LYS A 51 -8.822 4.389 -7.842 1.00 44.13 H new ATOM 0 HA LYS A 51 -10.362 2.121 -8.455 1.00 25.20 H new ATOM 0 HB2 LYS A 51 -11.041 4.827 -7.245 1.00 61.22 H new ATOM 0 HB3 LYS A 51 -12.213 3.530 -7.366 1.00 61.22 H new ATOM 0 HG2 LYS A 51 -9.565 3.298 -5.888 1.00 42.34 H new ATOM 0 HG3 LYS A 51 -11.084 3.721 -5.124 1.00 42.34 H new ATOM 0 HD2 LYS A 51 -10.578 1.130 -6.656 1.00 71.25 H new ATOM 0 HD3 LYS A 51 -10.512 1.284 -4.912 1.00 71.25 H new ATOM 0 HE2 LYS A 51 -12.893 1.998 -4.874 1.00 31.31 H new ATOM 0 HE3 LYS A 51 -12.964 1.876 -6.621 1.00 31.31 H new ATOM 0 HZ1 LYS A 51 -13.789 -0.138 -6.014 1.00 64.31 H new ATOM 0 HZ2 LYS A 51 -12.146 -0.548 -6.141 1.00 64.31 H new ATOM 0 HZ3 LYS A 51 -12.833 -0.259 -4.615 1.00 64.31 H new ATOM 863 N SER A 52 -10.908 4.711 -10.358 1.00 74.21 N ATOM 864 CA SER A 52 -11.609 5.173 -11.549 1.00 25.33 C ATOM 865 C SER A 52 -11.143 4.420 -12.804 1.00 0.53 C ATOM 866 O SER A 52 -11.737 4.554 -13.873 1.00 72.54 O ATOM 867 CB SER A 52 -11.419 6.681 -11.723 1.00 21.31 C ATOM 868 OG SER A 52 -11.871 7.385 -10.571 1.00 3.10 O ATOM 0 H SER A 52 -10.171 5.336 -10.032 1.00 74.21 H new ATOM 0 HA SER A 52 -12.671 4.965 -11.416 1.00 25.33 H new ATOM 0 HB2 SER A 52 -10.366 6.901 -11.899 1.00 21.31 H new ATOM 0 HB3 SER A 52 -11.967 7.022 -12.601 1.00 21.31 H new ATOM 0 HG SER A 52 -11.100 7.667 -10.036 1.00 3.10 H new ATOM 874 N GLY A 53 -10.085 3.625 -12.663 1.00 64.40 N ATOM 875 CA GLY A 53 -9.577 2.857 -13.788 1.00 62.00 C ATOM 876 C GLY A 53 -8.658 3.666 -14.677 1.00 31.22 C ATOM 877 O GLY A 53 -8.434 3.316 -15.842 1.00 14.03 O ATOM 0 H GLY A 53 -9.571 3.499 -11.791 1.00 64.40 H new ATOM 0 HA2 GLY A 53 -9.040 1.985 -13.415 1.00 62.00 H new ATOM 0 HA3 GLY A 53 -10.415 2.487 -14.379 1.00 62.00 H new ATOM 881 N GLU A 54 -8.119 4.741 -14.133 1.00 52.22 N ATOM 882 CA GLU A 54 -7.238 5.612 -14.887 1.00 33.32 C ATOM 883 C GLU A 54 -5.807 5.123 -14.802 1.00 23.24 C ATOM 884 O GLU A 54 -5.233 4.655 -15.786 1.00 40.33 O ATOM 885 CB GLU A 54 -7.310 7.036 -14.348 1.00 23.11 C ATOM 886 CG GLU A 54 -8.707 7.600 -14.260 1.00 55.34 C ATOM 887 CD GLU A 54 -8.704 9.041 -13.822 1.00 41.30 C ATOM 888 OE1 GLU A 54 -8.453 9.309 -12.632 1.00 53.12 O ATOM 889 OE2 GLU A 54 -8.924 9.918 -14.675 1.00 11.21 O ATOM 0 H GLU A 54 -8.277 5.032 -13.168 1.00 52.22 H new ATOM 0 HA GLU A 54 -7.563 5.600 -15.927 1.00 33.32 H new ATOM 0 HB2 GLU A 54 -6.859 7.059 -13.356 1.00 23.11 H new ATOM 0 HB3 GLU A 54 -6.709 7.684 -14.986 1.00 23.11 H new ATOM 0 HG2 GLU A 54 -9.194 7.517 -15.232 1.00 55.34 H new ATOM 0 HG3 GLU A 54 -9.294 7.008 -13.558 1.00 55.34 H new ATOM 896 N GLU A 55 -5.248 5.219 -13.617 1.00 13.45 N ATOM 897 CA GLU A 55 -3.873 4.845 -13.386 1.00 13.41 C ATOM 898 C GLU A 55 -3.806 3.461 -12.775 1.00 14.12 C ATOM 899 O GLU A 55 -4.575 3.142 -11.864 1.00 73.04 O ATOM 900 CB GLU A 55 -3.216 5.852 -12.445 1.00 24.52 C ATOM 901 CG GLU A 55 -3.346 7.301 -12.891 1.00 63.13 C ATOM 902 CD GLU A 55 -2.613 7.587 -14.179 1.00 71.22 C ATOM 903 OE1 GLU A 55 -3.217 7.449 -15.259 1.00 23.24 O ATOM 904 OE2 GLU A 55 -1.428 7.963 -14.119 1.00 4.32 O ATOM 0 H GLU A 55 -5.734 5.558 -12.787 1.00 13.45 H new ATOM 0 HA GLU A 55 -3.343 4.840 -14.339 1.00 13.41 H new ATOM 0 HB2 GLU A 55 -3.658 5.748 -11.454 1.00 24.52 H new ATOM 0 HB3 GLU A 55 -2.158 5.607 -12.350 1.00 24.52 H new ATOM 0 HG2 GLU A 55 -4.401 7.544 -13.018 1.00 63.13 H new ATOM 0 HG3 GLU A 55 -2.961 7.953 -12.107 1.00 63.13 H new ATOM 911 N ASP A 56 -2.905 2.637 -13.275 1.00 0.00 N ATOM 912 CA ASP A 56 -2.731 1.300 -12.738 1.00 23.21 C ATOM 913 C ASP A 56 -1.955 1.356 -11.451 1.00 10.03 C ATOM 914 O ASP A 56 -1.053 2.188 -11.292 1.00 52.03 O ATOM 915 CB ASP A 56 -2.026 0.373 -13.732 1.00 55.43 C ATOM 916 CG ASP A 56 -2.923 -0.053 -14.868 1.00 23.24 C ATOM 917 OD1 ASP A 56 -3.853 -0.851 -14.632 1.00 43.14 O ATOM 918 OD2 ASP A 56 -2.702 0.404 -16.008 1.00 55.31 O ATOM 0 H ASP A 56 -2.284 2.868 -14.050 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.723 0.891 -12.549 1.00 23.21 H new ATOM 0 HB2 ASP A 56 -1.150 0.880 -14.137 1.00 55.43 H new ATOM 0 HB3 ASP A 56 -1.668 -0.512 -13.206 1.00 55.43 H new ATOM 923 N PHE A 57 -2.299 0.474 -10.537 1.00 43.34 N ATOM 924 CA PHE A 57 -1.660 0.420 -9.239 1.00 52.03 C ATOM 925 C PHE A 57 -0.157 0.203 -9.396 1.00 60.12 C ATOM 926 O PHE A 57 0.646 0.921 -8.805 1.00 2.35 O ATOM 927 CB PHE A 57 -2.276 -0.705 -8.410 1.00 12.21 C ATOM 928 CG PHE A 57 -1.985 -0.614 -6.943 1.00 12.05 C ATOM 929 CD1 PHE A 57 -0.798 -1.096 -6.425 1.00 53.23 C ATOM 930 CD2 PHE A 57 -2.907 -0.049 -6.081 1.00 33.32 C ATOM 931 CE1 PHE A 57 -0.538 -1.013 -5.077 1.00 13.10 C ATOM 932 CE2 PHE A 57 -2.652 0.037 -4.732 1.00 51.20 C ATOM 933 CZ PHE A 57 -1.467 -0.446 -4.228 1.00 21.40 C ATOM 0 H PHE A 57 -3.029 -0.225 -10.672 1.00 43.34 H new ATOM 0 HA PHE A 57 -1.817 1.368 -8.725 1.00 52.03 H new ATOM 0 HB2 PHE A 57 -3.356 -0.700 -8.556 1.00 12.21 H new ATOM 0 HB3 PHE A 57 -1.908 -1.661 -8.784 1.00 12.21 H new ATOM 0 HD1 PHE A 57 -0.068 -1.542 -7.084 1.00 53.23 H new ATOM 0 HD2 PHE A 57 -3.840 0.330 -6.472 1.00 33.32 H new ATOM 0 HE1 PHE A 57 0.393 -1.392 -4.683 1.00 13.10 H new ATOM 0 HE2 PHE A 57 -3.380 0.483 -4.071 1.00 51.20 H new ATOM 0 HZ PHE A 57 -1.264 -0.382 -3.169 1.00 21.40 H new ATOM 943 N GLU A 58 0.206 -0.780 -10.213 1.00 25.22 N ATOM 944 CA GLU A 58 1.607 -1.107 -10.473 1.00 65.44 C ATOM 945 C GLU A 58 2.372 0.104 -10.998 1.00 41.23 C ATOM 946 O GLU A 58 3.486 0.389 -10.549 1.00 1.44 O ATOM 947 CB GLU A 58 1.726 -2.253 -11.486 1.00 64.24 C ATOM 948 CG GLU A 58 0.949 -3.510 -11.123 1.00 24.32 C ATOM 949 CD GLU A 58 -0.517 -3.416 -11.479 1.00 2.04 C ATOM 950 OE1 GLU A 58 -0.865 -3.699 -12.638 1.00 0.24 O ATOM 951 OE2 GLU A 58 -1.324 -3.056 -10.602 1.00 53.34 O ATOM 0 H GLU A 58 -0.458 -1.371 -10.713 1.00 25.22 H new ATOM 0 HA GLU A 58 2.043 -1.418 -9.523 1.00 65.44 H new ATOM 0 HB2 GLU A 58 1.381 -1.898 -12.457 1.00 64.24 H new ATOM 0 HB3 GLU A 58 2.779 -2.513 -11.597 1.00 64.24 H new ATOM 0 HG2 GLU A 58 1.389 -4.365 -11.637 1.00 24.32 H new ATOM 0 HG3 GLU A 58 1.047 -3.696 -10.054 1.00 24.32 H new ATOM 958 N SER A 59 1.766 0.814 -11.944 1.00 73.33 N ATOM 959 CA SER A 59 2.392 1.978 -12.552 1.00 52.13 C ATOM 960 C SER A 59 2.688 3.059 -11.514 1.00 22.14 C ATOM 961 O SER A 59 3.739 3.696 -11.548 1.00 23.33 O ATOM 962 CB SER A 59 1.501 2.536 -13.663 1.00 33.41 C ATOM 963 OG SER A 59 1.229 1.543 -14.647 1.00 30.12 O ATOM 0 H SER A 59 0.837 0.600 -12.306 1.00 73.33 H new ATOM 0 HA SER A 59 3.342 1.662 -12.982 1.00 52.13 H new ATOM 0 HB2 SER A 59 0.565 2.896 -13.237 1.00 33.41 H new ATOM 0 HB3 SER A 59 1.989 3.392 -14.130 1.00 33.41 H new ATOM 0 HG SER A 59 0.656 1.923 -15.346 1.00 30.12 H new ATOM 969 N LEU A 60 1.772 3.254 -10.586 1.00 62.15 N ATOM 970 CA LEU A 60 1.955 4.260 -9.560 1.00 4.43 C ATOM 971 C LEU A 60 2.896 3.767 -8.468 1.00 11.13 C ATOM 972 O LEU A 60 3.672 4.541 -7.918 1.00 60.40 O ATOM 973 CB LEU A 60 0.613 4.675 -8.962 1.00 4.22 C ATOM 974 CG LEU A 60 -0.378 5.315 -9.939 1.00 0.32 C ATOM 975 CD1 LEU A 60 -1.658 5.687 -9.223 1.00 31.42 C ATOM 976 CD2 LEU A 60 0.235 6.539 -10.606 1.00 31.24 C ATOM 0 H LEU A 60 0.898 2.732 -10.522 1.00 62.15 H new ATOM 0 HA LEU A 60 2.409 5.133 -10.028 1.00 4.43 H new ATOM 0 HB2 LEU A 60 0.144 3.795 -8.522 1.00 4.22 H new ATOM 0 HB3 LEU A 60 0.799 5.377 -8.149 1.00 4.22 H new ATOM 0 HG LEU A 60 -0.613 4.586 -10.715 1.00 0.32 H new ATOM 0 HD11 LEU A 60 -2.352 6.141 -9.931 1.00 31.42 H new ATOM 0 HD12 LEU A 60 -2.109 4.792 -8.795 1.00 31.42 H new ATOM 0 HD13 LEU A 60 -1.436 6.397 -8.426 1.00 31.42 H new ATOM 0 HD21 LEU A 60 -0.486 6.977 -11.296 1.00 31.24 H new ATOM 0 HD22 LEU A 60 0.502 7.273 -9.845 1.00 31.24 H new ATOM 0 HD23 LEU A 60 1.129 6.244 -11.155 1.00 31.24 H new ATOM 988 N ALA A 61 2.839 2.479 -8.178 1.00 25.40 N ATOM 989 CA ALA A 61 3.678 1.889 -7.143 1.00 62.32 C ATOM 990 C ALA A 61 5.154 1.919 -7.530 1.00 44.04 C ATOM 991 O ALA A 61 5.990 2.402 -6.781 1.00 44.51 O ATOM 992 CB ALA A 61 3.234 0.463 -6.846 1.00 2.43 C ATOM 0 H ALA A 61 2.219 1.817 -8.645 1.00 25.40 H new ATOM 0 HA ALA A 61 3.561 2.490 -6.241 1.00 62.32 H new ATOM 0 HB1 ALA A 61 3.871 0.037 -6.071 1.00 2.43 H new ATOM 0 HB2 ALA A 61 2.199 0.468 -6.503 1.00 2.43 H new ATOM 0 HB3 ALA A 61 3.313 -0.139 -7.751 1.00 2.43 H new ATOM 998 N SER A 62 5.464 1.432 -8.710 1.00 64.44 N ATOM 999 CA SER A 62 6.847 1.365 -9.160 1.00 74.32 C ATOM 1000 C SER A 62 7.433 2.750 -9.482 1.00 40.04 C ATOM 1001 O SER A 62 8.633 2.877 -9.717 1.00 62.52 O ATOM 1002 CB SER A 62 6.953 0.451 -10.375 1.00 40.00 C ATOM 1003 OG SER A 62 6.551 -0.875 -10.048 1.00 71.04 O ATOM 0 H SER A 62 4.782 1.075 -9.379 1.00 64.44 H new ATOM 0 HA SER A 62 7.435 0.956 -8.338 1.00 74.32 H new ATOM 0 HB2 SER A 62 6.329 0.837 -11.181 1.00 40.00 H new ATOM 0 HB3 SER A 62 7.979 0.444 -10.742 1.00 40.00 H new ATOM 0 HG SER A 62 7.071 -1.195 -9.282 1.00 71.04 H new ATOM 1009 N GLN A 63 6.597 3.777 -9.486 1.00 23.23 N ATOM 1010 CA GLN A 63 7.064 5.116 -9.824 1.00 10.33 C ATOM 1011 C GLN A 63 6.983 6.098 -8.649 1.00 31.04 C ATOM 1012 O GLN A 63 7.936 6.832 -8.381 1.00 40.12 O ATOM 1013 CB GLN A 63 6.287 5.667 -11.020 1.00 73.35 C ATOM 1014 CG GLN A 63 6.620 4.989 -12.343 1.00 54.02 C ATOM 1015 CD GLN A 63 5.818 5.548 -13.507 1.00 4.33 C ATOM 1016 OE1 GLN A 63 6.295 5.590 -14.642 1.00 3.13 O ATOM 1017 NE2 GLN A 63 4.590 5.954 -13.243 1.00 75.21 N ATOM 0 H GLN A 63 5.604 3.713 -9.262 1.00 23.23 H new ATOM 0 HA GLN A 63 8.118 5.018 -10.082 1.00 10.33 H new ATOM 0 HB2 GLN A 63 5.220 5.559 -10.827 1.00 73.35 H new ATOM 0 HB3 GLN A 63 6.488 6.734 -11.110 1.00 73.35 H new ATOM 0 HG2 GLN A 63 7.684 5.108 -12.550 1.00 54.02 H new ATOM 0 HG3 GLN A 63 6.430 3.919 -12.256 1.00 54.02 H new ATOM 0 HE21 GLN A 63 4.230 5.904 -12.290 1.00 75.21 H new ATOM 0 HE22 GLN A 63 4.001 6.318 -13.992 1.00 75.21 H new ATOM 1026 N PHE A 64 5.860 6.106 -7.945 1.00 73.23 N ATOM 1027 CA PHE A 64 5.634 7.098 -6.896 1.00 53.30 C ATOM 1028 C PHE A 64 5.565 6.488 -5.497 1.00 35.43 C ATOM 1029 O PHE A 64 5.088 7.131 -4.562 1.00 62.33 O ATOM 1030 CB PHE A 64 4.351 7.881 -7.185 1.00 64.20 C ATOM 1031 CG PHE A 64 4.336 8.533 -8.538 1.00 34.04 C ATOM 1032 CD1 PHE A 64 5.108 9.655 -8.790 1.00 52.34 C ATOM 1033 CD2 PHE A 64 3.550 8.022 -9.558 1.00 41.43 C ATOM 1034 CE1 PHE A 64 5.096 10.255 -10.033 1.00 12.13 C ATOM 1035 CE2 PHE A 64 3.534 8.618 -10.803 1.00 72.34 C ATOM 1036 CZ PHE A 64 4.308 9.736 -11.041 1.00 51.22 C ATOM 0 H PHE A 64 5.095 5.444 -8.077 1.00 73.23 H new ATOM 0 HA PHE A 64 6.495 7.767 -6.907 1.00 53.30 H new ATOM 0 HB2 PHE A 64 3.498 7.207 -7.107 1.00 64.20 H new ATOM 0 HB3 PHE A 64 4.223 8.647 -6.420 1.00 64.20 H new ATOM 0 HD1 PHE A 64 5.726 10.065 -8.005 1.00 52.34 H new ATOM 0 HD2 PHE A 64 2.943 7.147 -9.377 1.00 41.43 H new ATOM 0 HE1 PHE A 64 5.702 11.130 -10.217 1.00 12.13 H new ATOM 0 HE2 PHE A 64 2.917 8.210 -11.590 1.00 72.34 H new ATOM 0 HZ PHE A 64 4.297 10.204 -12.014 1.00 51.22 H new ATOM 1046 N SER A 65 6.044 5.274 -5.342 1.00 3.43 N ATOM 1047 CA SER A 65 6.034 4.646 -4.038 1.00 24.22 C ATOM 1048 C SER A 65 7.446 4.505 -3.496 1.00 44.43 C ATOM 1049 O SER A 65 8.340 3.986 -4.171 1.00 13.53 O ATOM 1050 CB SER A 65 5.340 3.281 -4.085 1.00 50.03 C ATOM 1051 OG SER A 65 5.298 2.675 -2.802 1.00 55.21 O ATOM 0 H SER A 65 6.441 4.707 -6.091 1.00 3.43 H new ATOM 0 HA SER A 65 5.468 5.290 -3.365 1.00 24.22 H new ATOM 0 HB2 SER A 65 4.326 3.400 -4.466 1.00 50.03 H new ATOM 0 HB3 SER A 65 5.867 2.627 -4.780 1.00 50.03 H new ATOM 0 HG SER A 65 5.370 3.366 -2.111 1.00 55.21 H new ATOM 1057 N ASP A 66 7.644 4.976 -2.281 1.00 71.31 N ATOM 1058 CA ASP A 66 8.928 4.872 -1.626 1.00 73.13 C ATOM 1059 C ASP A 66 8.998 3.575 -0.853 1.00 64.23 C ATOM 1060 O ASP A 66 8.650 3.519 0.324 1.00 21.42 O ATOM 1061 CB ASP A 66 9.179 6.065 -0.696 1.00 52.14 C ATOM 1062 CG ASP A 66 9.373 7.359 -1.450 1.00 15.02 C ATOM 1063 OD1 ASP A 66 10.421 7.524 -2.099 1.00 30.33 O ATOM 1064 OD2 ASP A 66 8.469 8.221 -1.401 1.00 73.05 O ATOM 0 H ASP A 66 6.924 5.438 -1.725 1.00 71.31 H new ATOM 0 HA ASP A 66 9.707 4.881 -2.389 1.00 73.13 H new ATOM 0 HB2 ASP A 66 8.337 6.170 -0.011 1.00 52.14 H new ATOM 0 HB3 ASP A 66 10.062 5.867 -0.088 1.00 52.14 H new ATOM 1069 N CYS A 67 9.401 2.528 -1.540 1.00 1.42 N ATOM 1070 CA CYS A 67 9.506 1.209 -0.955 1.00 70.34 C ATOM 1071 C CYS A 67 10.342 0.318 -1.857 1.00 15.25 C ATOM 1072 O CYS A 67 10.217 0.382 -3.079 1.00 61.44 O ATOM 1073 CB CYS A 67 8.108 0.602 -0.772 1.00 42.04 C ATOM 1074 SG CYS A 67 8.093 -1.048 -0.030 1.00 22.24 S ATOM 0 H CYS A 67 9.666 2.568 -2.524 1.00 1.42 H new ATOM 0 HA CYS A 67 9.986 1.287 0.020 1.00 70.34 H new ATOM 0 HB2 CYS A 67 7.515 1.271 -0.149 1.00 42.04 H new ATOM 0 HB3 CYS A 67 7.618 0.553 -1.744 1.00 42.04 H new ATOM 0 HG CYS A 67 9.305 -1.389 0.294 1.00 22.24 H new ATOM 1080 N SER A 68 11.193 -0.506 -1.267 1.00 11.23 N ATOM 1081 CA SER A 68 12.033 -1.411 -2.041 1.00 62.12 C ATOM 1082 C SER A 68 11.172 -2.414 -2.823 1.00 5.52 C ATOM 1083 O SER A 68 11.519 -2.818 -3.933 1.00 44.41 O ATOM 1084 CB SER A 68 12.999 -2.150 -1.116 1.00 14.44 C ATOM 1085 OG SER A 68 13.747 -1.233 -0.324 1.00 21.03 O ATOM 0 H SER A 68 11.322 -0.568 -0.257 1.00 11.23 H new ATOM 0 HA SER A 68 12.608 -0.823 -2.756 1.00 62.12 H new ATOM 0 HB2 SER A 68 12.442 -2.826 -0.468 1.00 14.44 H new ATOM 0 HB3 SER A 68 13.678 -2.763 -1.708 1.00 14.44 H new ATOM 0 HG SER A 68 14.357 -1.728 0.261 1.00 21.03 H new ATOM 1091 N SER A 69 10.028 -2.770 -2.250 1.00 23.21 N ATOM 1092 CA SER A 69 9.113 -3.723 -2.863 1.00 4.32 C ATOM 1093 C SER A 69 8.443 -3.137 -4.120 1.00 65.30 C ATOM 1094 O SER A 69 7.806 -3.861 -4.891 1.00 70.35 O ATOM 1095 CB SER A 69 8.060 -4.157 -1.837 1.00 3.00 C ATOM 1096 OG SER A 69 7.159 -5.117 -2.371 1.00 60.15 O ATOM 0 H SER A 69 9.710 -2.407 -1.351 1.00 23.21 H new ATOM 0 HA SER A 69 9.685 -4.594 -3.181 1.00 4.32 H new ATOM 0 HB2 SER A 69 8.558 -4.575 -0.962 1.00 3.00 H new ATOM 0 HB3 SER A 69 7.501 -3.284 -1.500 1.00 3.00 H new ATOM 0 HG SER A 69 6.282 -5.015 -1.945 1.00 60.15 H new ATOM 1102 N ALA A 70 8.602 -1.829 -4.332 1.00 11.22 N ATOM 1103 CA ALA A 70 8.033 -1.172 -5.506 1.00 53.20 C ATOM 1104 C ALA A 70 8.692 -1.689 -6.780 1.00 22.33 C ATOM 1105 O ALA A 70 8.095 -1.665 -7.860 1.00 72.31 O ATOM 1106 CB ALA A 70 8.184 0.338 -5.402 1.00 65.11 C ATOM 0 H ALA A 70 9.118 -1.208 -3.708 1.00 11.22 H new ATOM 0 HA ALA A 70 6.970 -1.407 -5.548 1.00 53.20 H new ATOM 0 HB1 ALA A 70 7.754 0.808 -6.286 1.00 65.11 H new ATOM 0 HB2 ALA A 70 7.665 0.695 -4.512 1.00 65.11 H new ATOM 0 HB3 ALA A 70 9.241 0.594 -5.333 1.00 65.11 H new ATOM 1112 N LYS A 71 9.925 -2.173 -6.638 1.00 13.31 N ATOM 1113 CA LYS A 71 10.668 -2.734 -7.758 1.00 30.22 C ATOM 1114 C LYS A 71 10.073 -4.079 -8.155 1.00 44.34 C ATOM 1115 O LYS A 71 10.172 -4.506 -9.301 1.00 2.35 O ATOM 1116 CB LYS A 71 12.143 -2.898 -7.388 1.00 13.41 C ATOM 1117 CG LYS A 71 12.818 -1.603 -6.966 1.00 54.34 C ATOM 1118 CD LYS A 71 14.278 -1.830 -6.622 1.00 53.13 C ATOM 1119 CE LYS A 71 14.956 -0.538 -6.205 1.00 40.30 C ATOM 1120 NZ LYS A 71 16.391 -0.742 -5.899 1.00 25.04 N ATOM 0 H LYS A 71 10.430 -2.186 -5.752 1.00 13.31 H new ATOM 0 HA LYS A 71 10.596 -2.051 -8.605 1.00 30.22 H new ATOM 0 HB2 LYS A 71 12.226 -3.621 -6.577 1.00 13.41 H new ATOM 0 HB3 LYS A 71 12.678 -3.314 -8.242 1.00 13.41 H new ATOM 0 HG2 LYS A 71 12.741 -0.871 -7.770 1.00 54.34 H new ATOM 0 HG3 LYS A 71 12.300 -1.184 -6.103 1.00 54.34 H new ATOM 0 HD2 LYS A 71 14.354 -2.559 -5.816 1.00 53.13 H new ATOM 0 HD3 LYS A 71 14.795 -2.252 -7.484 1.00 53.13 H new ATOM 0 HE2 LYS A 71 14.856 0.198 -7.002 1.00 40.30 H new ATOM 0 HE3 LYS A 71 14.452 -0.130 -5.329 1.00 40.30 H new ATOM 0 HZ1 LYS A 71 16.818 0.164 -5.618 1.00 25.04 H new ATOM 0 HZ2 LYS A 71 16.486 -1.426 -5.121 1.00 25.04 H new ATOM 0 HZ3 LYS A 71 16.877 -1.107 -6.743 1.00 25.04 H new ATOM 1134 N ALA A 72 9.424 -4.726 -7.196 1.00 21.11 N ATOM 1135 CA ALA A 72 8.773 -6.010 -7.420 1.00 61.04 C ATOM 1136 C ALA A 72 7.351 -5.790 -7.917 1.00 74.24 C ATOM 1137 O ALA A 72 6.445 -6.574 -7.624 1.00 51.52 O ATOM 1138 CB ALA A 72 8.762 -6.813 -6.132 1.00 2.43 C ATOM 0 H ALA A 72 9.334 -4.376 -6.242 1.00 21.11 H new ATOM 0 HA ALA A 72 9.327 -6.566 -8.177 1.00 61.04 H new ATOM 0 HB1 ALA A 72 8.274 -7.772 -6.305 1.00 2.43 H new ATOM 0 HB2 ALA A 72 9.786 -6.982 -5.800 1.00 2.43 H new ATOM 0 HB3 ALA A 72 8.218 -6.262 -5.365 1.00 2.43 H new ATOM 1144 N ARG A 73 7.174 -4.698 -8.663 1.00 1.54 N ATOM 1145 CA ARG A 73 5.886 -4.298 -9.234 1.00 45.24 C ATOM 1146 C ARG A 73 4.941 -3.775 -8.150 1.00 31.22 C ATOM 1147 O ARG A 73 3.793 -3.434 -8.421 1.00 44.30 O ATOM 1148 CB ARG A 73 5.236 -5.454 -10.021 1.00 2.31 C ATOM 1149 CG ARG A 73 4.199 -5.006 -11.047 1.00 61.14 C ATOM 1150 CD ARG A 73 4.851 -4.439 -12.309 1.00 53.31 C ATOM 1151 NE ARG A 73 5.777 -3.338 -12.025 1.00 2.11 N ATOM 1152 CZ ARG A 73 7.064 -3.318 -12.402 1.00 22.20 C ATOM 1153 NH1 ARG A 73 7.582 -4.333 -13.090 1.00 52.14 N ATOM 1154 NH2 ARG A 73 7.826 -2.287 -12.081 1.00 2.23 N ATOM 0 H ARG A 73 7.933 -4.056 -8.891 1.00 1.54 H new ATOM 0 HA ARG A 73 6.076 -3.486 -9.935 1.00 45.24 H new ATOM 0 HB2 ARG A 73 6.018 -6.015 -10.532 1.00 2.31 H new ATOM 0 HB3 ARG A 73 4.762 -6.137 -9.316 1.00 2.31 H new ATOM 0 HG2 ARG A 73 3.565 -5.851 -11.315 1.00 61.14 H new ATOM 0 HG3 ARG A 73 3.552 -4.250 -10.602 1.00 61.14 H new ATOM 0 HD2 ARG A 73 5.388 -5.235 -12.824 1.00 53.31 H new ATOM 0 HD3 ARG A 73 4.074 -4.088 -12.988 1.00 53.31 H new ATOM 0 HE ARG A 73 5.419 -2.535 -11.507 1.00 2.11 H new ATOM 0 HH11 ARG A 73 6.999 -5.134 -13.334 1.00 52.14 H new ATOM 0 HH12 ARG A 73 8.562 -4.310 -13.373 1.00 52.14 H new ATOM 0 HH21 ARG A 73 7.435 -1.510 -11.548 1.00 2.23 H new ATOM 0 HH22 ARG A 73 8.805 -2.268 -12.366 1.00 2.23 H new ATOM 1168 N GLY A 74 5.446 -3.697 -6.924 1.00 43.14 N ATOM 1169 CA GLY A 74 4.648 -3.209 -5.821 1.00 51.23 C ATOM 1170 C GLY A 74 3.684 -4.253 -5.300 1.00 74.01 C ATOM 1171 O GLY A 74 2.677 -3.921 -4.675 1.00 75.33 O ATOM 0 H GLY A 74 6.398 -3.965 -6.676 1.00 43.14 H new ATOM 0 HA2 GLY A 74 5.306 -2.891 -5.013 1.00 51.23 H new ATOM 0 HA3 GLY A 74 4.089 -2.330 -6.142 1.00 51.23 H new ATOM 1175 N ASP A 75 3.991 -5.516 -5.539 1.00 3.05 N ATOM 1176 CA ASP A 75 3.124 -6.600 -5.100 1.00 3.34 C ATOM 1177 C ASP A 75 3.860 -7.528 -4.141 1.00 32.11 C ATOM 1178 O ASP A 75 5.008 -7.907 -4.385 1.00 71.53 O ATOM 1179 CB ASP A 75 2.597 -7.379 -6.299 1.00 32.41 C ATOM 1180 CG ASP A 75 1.534 -8.384 -5.918 1.00 74.24 C ATOM 1181 OD1 ASP A 75 0.358 -7.994 -5.816 1.00 25.32 O ATOM 1182 OD2 ASP A 75 1.867 -9.569 -5.737 1.00 54.12 O ATOM 0 H ASP A 75 4.831 -5.818 -6.033 1.00 3.05 H new ATOM 0 HA ASP A 75 2.277 -6.166 -4.569 1.00 3.34 H new ATOM 0 HB2 ASP A 75 2.187 -6.681 -7.029 1.00 32.41 H new ATOM 0 HB3 ASP A 75 3.425 -7.897 -6.783 1.00 32.41 H new ATOM 1187 N LEU A 76 3.196 -7.892 -3.053 1.00 21.41 N ATOM 1188 CA LEU A 76 3.806 -8.739 -2.028 1.00 11.40 C ATOM 1189 C LEU A 76 3.532 -10.215 -2.275 1.00 72.53 C ATOM 1190 O LEU A 76 4.165 -11.083 -1.662 1.00 61.23 O ATOM 1191 CB LEU A 76 3.293 -8.347 -0.638 1.00 35.15 C ATOM 1192 CG LEU A 76 3.718 -6.968 -0.134 1.00 35.15 C ATOM 1193 CD1 LEU A 76 3.021 -6.641 1.176 1.00 1.24 C ATOM 1194 CD2 LEU A 76 5.229 -6.906 0.042 1.00 10.54 C ATOM 0 H LEU A 76 2.234 -7.616 -2.854 1.00 21.41 H new ATOM 0 HA LEU A 76 4.883 -8.582 -2.079 1.00 11.40 H new ATOM 0 HB2 LEU A 76 2.204 -8.389 -0.649 1.00 35.15 H new ATOM 0 HB3 LEU A 76 3.634 -9.095 0.078 1.00 35.15 H new ATOM 0 HG LEU A 76 3.425 -6.227 -0.877 1.00 35.15 H new ATOM 0 HD11 LEU A 76 3.336 -5.656 1.520 1.00 1.24 H new ATOM 0 HD12 LEU A 76 1.942 -6.645 1.025 1.00 1.24 H new ATOM 0 HD13 LEU A 76 3.285 -7.388 1.925 1.00 1.24 H new ATOM 0 HD21 LEU A 76 5.513 -5.917 0.401 1.00 10.54 H new ATOM 0 HD22 LEU A 76 5.542 -7.659 0.765 1.00 10.54 H new ATOM 0 HD23 LEU A 76 5.715 -7.098 -0.915 1.00 10.54 H new ATOM 1206 N GLY A 77 2.612 -10.503 -3.173 1.00 51.33 N ATOM 1207 CA GLY A 77 2.249 -11.874 -3.429 1.00 4.20 C ATOM 1208 C GLY A 77 1.244 -12.369 -2.416 1.00 72.24 C ATOM 1209 O GLY A 77 0.654 -11.570 -1.684 1.00 40.31 O ATOM 0 H GLY A 77 2.109 -9.812 -3.730 1.00 51.33 H new ATOM 0 HA2 GLY A 77 1.832 -11.962 -4.432 1.00 4.20 H new ATOM 0 HA3 GLY A 77 3.140 -12.501 -3.398 1.00 4.20 H new ATOM 1213 N ALA A 78 1.037 -13.669 -2.370 1.00 41.52 N ATOM 1214 CA ALA A 78 0.101 -14.249 -1.424 1.00 13.54 C ATOM 1215 C ALA A 78 0.761 -14.474 -0.067 1.00 73.34 C ATOM 1216 O ALA A 78 1.877 -15.006 0.014 1.00 1.15 O ATOM 1217 CB ALA A 78 -0.466 -15.553 -1.967 1.00 10.42 C ATOM 0 H ALA A 78 1.503 -14.345 -2.975 1.00 41.52 H new ATOM 0 HA ALA A 78 -0.720 -13.545 -1.286 1.00 13.54 H new ATOM 0 HB1 ALA A 78 -1.166 -15.974 -1.245 1.00 10.42 H new ATOM 0 HB2 ALA A 78 -0.985 -15.361 -2.906 1.00 10.42 H new ATOM 0 HB3 ALA A 78 0.346 -16.259 -2.139 1.00 10.42 H new ATOM 1223 N PHE A 79 0.080 -14.055 0.987 1.00 51.41 N ATOM 1224 CA PHE A 79 0.569 -14.232 2.348 1.00 61.43 C ATOM 1225 C PHE A 79 -0.580 -14.608 3.281 1.00 51.43 C ATOM 1226 O PHE A 79 -1.753 -14.506 2.902 1.00 34.45 O ATOM 1227 CB PHE A 79 1.289 -12.964 2.851 1.00 75.21 C ATOM 1228 CG PHE A 79 0.458 -11.704 2.798 1.00 74.03 C ATOM 1229 CD1 PHE A 79 0.422 -10.929 1.649 1.00 11.14 C ATOM 1230 CD2 PHE A 79 -0.276 -11.291 3.901 1.00 54.13 C ATOM 1231 CE1 PHE A 79 -0.329 -9.773 1.598 1.00 65.45 C ATOM 1232 CE2 PHE A 79 -1.031 -10.134 3.855 1.00 50.55 C ATOM 1233 CZ PHE A 79 -1.057 -9.374 2.702 1.00 33.20 C ATOM 0 H PHE A 79 -0.823 -13.585 0.926 1.00 51.41 H new ATOM 0 HA PHE A 79 1.294 -15.046 2.345 1.00 61.43 H new ATOM 0 HB2 PHE A 79 1.610 -13.129 3.880 1.00 75.21 H new ATOM 0 HB3 PHE A 79 2.190 -12.814 2.256 1.00 75.21 H new ATOM 0 HD1 PHE A 79 0.989 -11.234 0.782 1.00 11.14 H new ATOM 0 HD2 PHE A 79 -0.257 -11.880 4.806 1.00 54.13 H new ATOM 0 HE1 PHE A 79 -0.348 -9.180 0.695 1.00 65.45 H new ATOM 0 HE2 PHE A 79 -1.600 -9.825 4.719 1.00 50.55 H new ATOM 0 HZ PHE A 79 -1.646 -8.469 2.664 1.00 33.20 H new ATOM 1243 N SER A 80 -0.246 -15.046 4.486 1.00 33.13 N ATOM 1244 CA SER A 80 -1.247 -15.456 5.456 1.00 31.53 C ATOM 1245 C SER A 80 -1.284 -14.504 6.650 1.00 33.04 C ATOM 1246 O SER A 80 -0.431 -13.621 6.787 1.00 51.14 O ATOM 1247 CB SER A 80 -0.955 -16.875 5.939 1.00 33.32 C ATOM 1248 OG SER A 80 -0.833 -17.767 4.848 1.00 32.23 O ATOM 0 H SER A 80 0.716 -15.126 4.815 1.00 33.13 H new ATOM 0 HA SER A 80 -2.221 -15.429 4.967 1.00 31.53 H new ATOM 0 HB2 SER A 80 -0.035 -16.882 6.524 1.00 33.32 H new ATOM 0 HB3 SER A 80 -1.755 -17.210 6.599 1.00 33.32 H new ATOM 0 HG SER A 80 -0.644 -18.669 5.182 1.00 32.23 H new ATOM 1254 N ARG A 81 -2.276 -14.697 7.506 1.00 3.15 N ATOM 1255 CA ARG A 81 -2.440 -13.896 8.705 1.00 54.23 C ATOM 1256 C ARG A 81 -1.419 -14.307 9.753 1.00 20.54 C ATOM 1257 O ARG A 81 -1.297 -15.488 10.087 1.00 52.53 O ATOM 1258 CB ARG A 81 -3.855 -14.067 9.257 1.00 73.42 C ATOM 1259 CG ARG A 81 -4.941 -13.585 8.310 1.00 34.41 C ATOM 1260 CD ARG A 81 -6.323 -14.024 8.764 1.00 50.10 C ATOM 1261 NE ARG A 81 -6.436 -15.484 8.825 1.00 43.43 N ATOM 1262 CZ ARG A 81 -7.449 -16.191 8.323 1.00 62.25 C ATOM 1263 NH1 ARG A 81 -8.465 -15.580 7.721 1.00 74.01 N ATOM 1264 NH2 ARG A 81 -7.448 -17.513 8.426 1.00 40.12 N ATOM 0 H ARG A 81 -2.990 -15.415 7.387 1.00 3.15 H new ATOM 0 HA ARG A 81 -2.282 -12.847 8.453 1.00 54.23 H new ATOM 0 HB2 ARG A 81 -4.023 -15.120 9.483 1.00 73.42 H new ATOM 0 HB3 ARG A 81 -3.937 -13.522 10.198 1.00 73.42 H new ATOM 0 HG2 ARG A 81 -4.909 -12.497 8.244 1.00 34.41 H new ATOM 0 HG3 ARG A 81 -4.748 -13.971 7.309 1.00 34.41 H new ATOM 0 HD2 ARG A 81 -6.534 -13.601 9.746 1.00 50.10 H new ATOM 0 HD3 ARG A 81 -7.073 -13.629 8.079 1.00 50.10 H new ATOM 0 HE ARG A 81 -5.684 -15.997 9.285 1.00 43.43 H new ATOM 0 HH11 ARG A 81 -8.473 -14.563 7.641 1.00 74.01 H new ATOM 0 HH12 ARG A 81 -9.236 -16.128 7.340 1.00 74.01 H new ATOM 0 HH21 ARG A 81 -6.673 -17.988 8.889 1.00 40.12 H new ATOM 0 HH22 ARG A 81 -8.222 -18.055 8.042 1.00 40.12 H new ATOM 1278 N GLY A 82 -0.685 -13.344 10.254 1.00 42.42 N ATOM 1279 CA GLY A 82 0.331 -13.618 11.237 1.00 12.42 C ATOM 1280 C GLY A 82 1.712 -13.464 10.654 1.00 74.13 C ATOM 1281 O GLY A 82 2.689 -13.995 11.189 1.00 13.42 O ATOM 0 H GLY A 82 -0.774 -12.361 9.996 1.00 42.42 H new ATOM 0 HA2 GLY A 82 0.213 -12.941 12.083 1.00 12.42 H new ATOM 0 HA3 GLY A 82 0.206 -14.631 11.620 1.00 12.42 H new ATOM 1285 N GLN A 83 1.797 -12.744 9.543 1.00 55.43 N ATOM 1286 CA GLN A 83 3.069 -12.537 8.863 1.00 10.12 C ATOM 1287 C GLN A 83 3.277 -11.067 8.503 1.00 34.21 C ATOM 1288 O GLN A 83 4.413 -10.620 8.306 1.00 55.14 O ATOM 1289 CB GLN A 83 3.147 -13.393 7.590 1.00 24.23 C ATOM 1290 CG GLN A 83 2.995 -14.888 7.832 1.00 23.21 C ATOM 1291 CD GLN A 83 3.155 -15.703 6.565 1.00 55.40 C ATOM 1292 OE1 GLN A 83 2.190 -15.960 5.850 1.00 32.02 O ATOM 1293 NE2 GLN A 83 4.372 -16.120 6.282 1.00 33.44 N ATOM 0 H GLN A 83 1.000 -12.293 9.093 1.00 55.43 H new ATOM 0 HA GLN A 83 3.859 -12.840 9.551 1.00 10.12 H new ATOM 0 HB2 GLN A 83 2.370 -13.068 6.899 1.00 24.23 H new ATOM 0 HB3 GLN A 83 4.104 -13.211 7.102 1.00 24.23 H new ATOM 0 HG2 GLN A 83 3.736 -15.211 8.563 1.00 23.21 H new ATOM 0 HG3 GLN A 83 2.014 -15.084 8.264 1.00 23.21 H new ATOM 0 HE21 GLN A 83 5.148 -15.886 6.901 1.00 33.44 H new ATOM 0 HE22 GLN A 83 4.538 -16.677 5.444 1.00 33.44 H new ATOM 1302 N MET A 84 2.194 -10.316 8.430 1.00 23.11 N ATOM 1303 CA MET A 84 2.272 -8.921 8.039 1.00 62.05 C ATOM 1304 C MET A 84 1.893 -8.020 9.217 1.00 62.23 C ATOM 1305 O MET A 84 1.370 -8.498 10.220 1.00 14.35 O ATOM 1306 CB MET A 84 1.345 -8.674 6.842 1.00 52.11 C ATOM 1307 CG MET A 84 1.649 -7.405 6.066 1.00 55.33 C ATOM 1308 SD MET A 84 3.303 -7.410 5.341 1.00 33.15 S ATOM 1309 CE MET A 84 3.193 -8.837 4.255 1.00 4.31 C ATOM 0 H MET A 84 1.252 -10.648 8.636 1.00 23.11 H new ATOM 0 HA MET A 84 3.295 -8.682 7.747 1.00 62.05 H new ATOM 0 HB2 MET A 84 1.412 -9.525 6.164 1.00 52.11 H new ATOM 0 HB3 MET A 84 0.316 -8.630 7.198 1.00 52.11 H new ATOM 0 HG2 MET A 84 0.910 -7.283 5.274 1.00 55.33 H new ATOM 0 HG3 MET A 84 1.550 -6.546 6.730 1.00 55.33 H new ATOM 0 HE1 MET A 84 4.012 -8.811 3.536 1.00 4.31 H new ATOM 0 HE2 MET A 84 3.258 -9.750 4.847 1.00 4.31 H new ATOM 0 HE3 MET A 84 2.242 -8.817 3.722 1.00 4.31 H new ATOM 1319 N GLN A 85 2.170 -6.724 9.102 1.00 23.22 N ATOM 1320 CA GLN A 85 1.836 -5.784 10.164 1.00 21.25 C ATOM 1321 C GLN A 85 0.328 -5.684 10.286 1.00 3.15 C ATOM 1322 O GLN A 85 -0.351 -5.513 9.290 1.00 31.24 O ATOM 1323 CB GLN A 85 2.454 -4.412 9.883 1.00 41.02 C ATOM 1324 CG GLN A 85 3.972 -4.445 9.769 1.00 73.53 C ATOM 1325 CD GLN A 85 4.582 -3.077 9.537 1.00 31.30 C ATOM 1326 OE1 GLN A 85 4.055 -2.058 9.990 1.00 1.43 O ATOM 1327 NE2 GLN A 85 5.696 -3.044 8.835 1.00 73.44 N ATOM 0 H GLN A 85 2.622 -6.304 8.289 1.00 23.22 H new ATOM 0 HA GLN A 85 2.246 -6.144 11.108 1.00 21.25 H new ATOM 0 HB2 GLN A 85 2.036 -4.016 8.957 1.00 41.02 H new ATOM 0 HB3 GLN A 85 2.172 -3.724 10.680 1.00 41.02 H new ATOM 0 HG2 GLN A 85 4.389 -4.872 10.681 1.00 73.53 H new ATOM 0 HG3 GLN A 85 4.254 -5.106 8.949 1.00 73.53 H new ATOM 0 HE21 GLN A 85 6.100 -3.910 8.478 1.00 73.44 H new ATOM 0 HE22 GLN A 85 6.155 -2.152 8.648 1.00 73.44 H new ATOM 1336 N LYS A 86 -0.179 -5.783 11.510 1.00 21.45 N ATOM 1337 CA LYS A 86 -1.631 -5.825 11.773 1.00 74.34 C ATOM 1338 C LYS A 86 -2.440 -4.750 11.013 1.00 40.01 C ATOM 1339 O LYS A 86 -3.410 -5.096 10.334 1.00 21.01 O ATOM 1340 CB LYS A 86 -1.928 -5.770 13.277 1.00 40.34 C ATOM 1341 CG LYS A 86 -1.245 -6.870 14.087 1.00 74.01 C ATOM 1342 CD LYS A 86 -1.517 -8.263 13.518 1.00 22.20 C ATOM 1343 CE LYS A 86 -3.001 -8.601 13.507 1.00 5.43 C ATOM 1344 NZ LYS A 86 -3.247 -9.976 13.005 1.00 51.13 N ATOM 0 H LYS A 86 0.394 -5.837 12.352 1.00 21.45 H new ATOM 0 HA LYS A 86 -1.967 -6.785 11.381 1.00 74.34 H new ATOM 0 HB2 LYS A 86 -1.614 -4.800 13.663 1.00 40.34 H new ATOM 0 HB3 LYS A 86 -3.005 -5.839 13.427 1.00 40.34 H new ATOM 0 HG2 LYS A 86 -0.170 -6.691 14.105 1.00 74.01 H new ATOM 0 HG3 LYS A 86 -1.593 -6.827 15.119 1.00 74.01 H new ATOM 0 HD2 LYS A 86 -1.126 -8.321 12.502 1.00 22.20 H new ATOM 0 HD3 LYS A 86 -0.981 -9.006 14.109 1.00 22.20 H new ATOM 0 HE2 LYS A 86 -3.404 -8.504 14.515 1.00 5.43 H new ATOM 0 HE3 LYS A 86 -3.533 -7.884 12.881 1.00 5.43 H new ATOM 0 HZ1 LYS A 86 -4.220 -10.045 12.645 1.00 51.13 H new ATOM 0 HZ2 LYS A 86 -2.578 -10.191 12.238 1.00 51.13 H new ATOM 0 HZ3 LYS A 86 -3.116 -10.657 13.780 1.00 51.13 H new ATOM 1358 N PRO A 87 -2.063 -3.438 11.103 1.00 53.03 N ATOM 1359 CA PRO A 87 -2.780 -2.360 10.395 1.00 33.05 C ATOM 1360 C PRO A 87 -2.904 -2.633 8.892 1.00 75.03 C ATOM 1361 O PRO A 87 -3.899 -2.274 8.260 1.00 71.31 O ATOM 1362 CB PRO A 87 -1.906 -1.111 10.640 1.00 72.35 C ATOM 1363 CG PRO A 87 -0.613 -1.633 11.178 1.00 33.35 C ATOM 1364 CD PRO A 87 -0.949 -2.899 11.900 1.00 42.22 C ATOM 0 HA PRO A 87 -3.803 -2.255 10.756 1.00 33.05 H new ATOM 0 HB2 PRO A 87 -1.751 -0.552 9.717 1.00 72.35 H new ATOM 0 HB3 PRO A 87 -2.381 -0.432 11.348 1.00 72.35 H new ATOM 0 HG2 PRO A 87 0.098 -1.820 10.373 1.00 33.35 H new ATOM 0 HG3 PRO A 87 -0.150 -0.911 11.851 1.00 33.35 H new ATOM 0 HD2 PRO A 87 -0.103 -3.585 11.930 1.00 42.22 H new ATOM 0 HD3 PRO A 87 -1.243 -2.711 12.933 1.00 42.22 H new ATOM 1372 N PHE A 88 -1.897 -3.283 8.339 1.00 75.23 N ATOM 1373 CA PHE A 88 -1.872 -3.612 6.926 1.00 32.31 C ATOM 1374 C PHE A 88 -2.574 -4.951 6.688 1.00 3.25 C ATOM 1375 O PHE A 88 -3.469 -5.061 5.851 1.00 2.03 O ATOM 1376 CB PHE A 88 -0.412 -3.682 6.441 1.00 63.42 C ATOM 1377 CG PHE A 88 -0.251 -3.903 4.958 1.00 71.33 C ATOM 1378 CD1 PHE A 88 -0.354 -5.174 4.415 1.00 41.43 C ATOM 1379 CD2 PHE A 88 0.010 -2.840 4.111 1.00 73.12 C ATOM 1380 CE1 PHE A 88 -0.204 -5.381 3.061 1.00 32.13 C ATOM 1381 CE2 PHE A 88 0.164 -3.042 2.753 1.00 13.31 C ATOM 1382 CZ PHE A 88 0.056 -4.316 2.229 1.00 73.51 C ATOM 0 H PHE A 88 -1.075 -3.597 8.855 1.00 75.23 H new ATOM 0 HA PHE A 88 -2.398 -2.839 6.365 1.00 32.31 H new ATOM 0 HB2 PHE A 88 0.092 -2.755 6.713 1.00 63.42 H new ATOM 0 HB3 PHE A 88 0.095 -4.488 6.972 1.00 63.42 H new ATOM 0 HD1 PHE A 88 -0.555 -6.015 5.063 1.00 41.43 H new ATOM 0 HD2 PHE A 88 0.094 -1.842 4.516 1.00 73.12 H new ATOM 0 HE1 PHE A 88 -0.290 -6.377 2.653 1.00 32.13 H new ATOM 0 HE2 PHE A 88 0.369 -2.205 2.102 1.00 13.31 H new ATOM 0 HZ PHE A 88 0.176 -4.476 1.168 1.00 73.51 H new ATOM 1392 N GLU A 89 -2.166 -5.943 7.458 1.00 35.40 N ATOM 1393 CA GLU A 89 -2.657 -7.311 7.352 1.00 71.43 C ATOM 1394 C GLU A 89 -4.181 -7.382 7.421 1.00 11.44 C ATOM 1395 O GLU A 89 -4.823 -7.945 6.531 1.00 1.42 O ATOM 1396 CB GLU A 89 -2.045 -8.148 8.473 1.00 23.52 C ATOM 1397 CG GLU A 89 -2.302 -9.634 8.362 1.00 74.40 C ATOM 1398 CD GLU A 89 -1.626 -10.405 9.465 1.00 45.41 C ATOM 1399 OE1 GLU A 89 -2.216 -10.524 10.563 1.00 53.01 O ATOM 1400 OE2 GLU A 89 -0.496 -10.899 9.249 1.00 64.33 O ATOM 0 H GLU A 89 -1.468 -5.821 8.192 1.00 35.40 H new ATOM 0 HA GLU A 89 -2.360 -7.704 6.380 1.00 71.43 H new ATOM 0 HB2 GLU A 89 -0.968 -7.979 8.488 1.00 23.52 H new ATOM 0 HB3 GLU A 89 -2.437 -7.795 9.427 1.00 23.52 H new ATOM 0 HG2 GLU A 89 -3.376 -9.820 8.394 1.00 74.40 H new ATOM 0 HG3 GLU A 89 -1.945 -9.993 7.397 1.00 74.40 H new ATOM 1407 N ASP A 90 -4.755 -6.797 8.464 1.00 31.22 N ATOM 1408 CA ASP A 90 -6.202 -6.842 8.660 1.00 30.34 C ATOM 1409 C ASP A 90 -6.937 -6.201 7.500 1.00 63.35 C ATOM 1410 O ASP A 90 -7.925 -6.747 7.002 1.00 61.52 O ATOM 1411 CB ASP A 90 -6.604 -6.166 9.968 1.00 50.10 C ATOM 1412 CG ASP A 90 -8.106 -6.161 10.163 1.00 44.34 C ATOM 1413 OD1 ASP A 90 -8.664 -7.215 10.554 1.00 61.35 O ATOM 1414 OD2 ASP A 90 -8.740 -5.113 9.913 1.00 75.31 O ATOM 0 H ASP A 90 -4.245 -6.287 9.186 1.00 31.22 H new ATOM 0 HA ASP A 90 -6.486 -7.893 8.710 1.00 30.34 H new ATOM 0 HB2 ASP A 90 -6.131 -6.682 10.804 1.00 50.10 H new ATOM 0 HB3 ASP A 90 -6.234 -5.141 9.976 1.00 50.10 H new ATOM 1419 N ALA A 91 -6.441 -5.058 7.060 1.00 32.23 N ATOM 1420 CA ALA A 91 -7.046 -4.332 5.959 1.00 3.41 C ATOM 1421 C ALA A 91 -6.965 -5.136 4.666 1.00 22.32 C ATOM 1422 O ALA A 91 -7.858 -5.063 3.825 1.00 53.25 O ATOM 1423 CB ALA A 91 -6.374 -2.980 5.790 1.00 21.04 C ATOM 0 H ALA A 91 -5.613 -4.610 7.453 1.00 32.23 H new ATOM 0 HA ALA A 91 -8.099 -4.173 6.190 1.00 3.41 H new ATOM 0 HB1 ALA A 91 -6.837 -2.445 4.961 1.00 21.04 H new ATOM 0 HB2 ALA A 91 -6.489 -2.400 6.706 1.00 21.04 H new ATOM 0 HB3 ALA A 91 -5.314 -3.124 5.582 1.00 21.04 H new ATOM 1429 N SER A 92 -5.901 -5.917 4.530 1.00 41.31 N ATOM 1430 CA SER A 92 -5.694 -6.741 3.349 1.00 25.13 C ATOM 1431 C SER A 92 -6.742 -7.852 3.267 1.00 25.51 C ATOM 1432 O SER A 92 -7.401 -8.024 2.242 1.00 41.40 O ATOM 1433 CB SER A 92 -4.290 -7.347 3.371 1.00 44.10 C ATOM 1434 OG SER A 92 -3.302 -6.340 3.497 1.00 30.31 O ATOM 0 H SER A 92 -5.163 -5.996 5.230 1.00 41.31 H new ATOM 0 HA SER A 92 -5.797 -6.107 2.468 1.00 25.13 H new ATOM 0 HB2 SER A 92 -4.206 -8.049 4.201 1.00 44.10 H new ATOM 0 HB3 SER A 92 -4.121 -7.914 2.456 1.00 44.10 H new ATOM 0 HG SER A 92 -3.213 -6.085 4.439 1.00 30.31 H new ATOM 1440 N PHE A 93 -6.911 -8.583 4.362 1.00 61.11 N ATOM 1441 CA PHE A 93 -7.863 -9.691 4.406 1.00 20.13 C ATOM 1442 C PHE A 93 -9.306 -9.198 4.463 1.00 64.34 C ATOM 1443 O PHE A 93 -10.246 -9.972 4.256 1.00 45.14 O ATOM 1444 CB PHE A 93 -7.555 -10.623 5.581 1.00 13.45 C ATOM 1445 CG PHE A 93 -6.291 -11.414 5.390 1.00 42.00 C ATOM 1446 CD1 PHE A 93 -5.061 -10.881 5.735 1.00 53.20 C ATOM 1447 CD2 PHE A 93 -6.334 -12.689 4.854 1.00 61.24 C ATOM 1448 CE1 PHE A 93 -3.899 -11.603 5.550 1.00 33.33 C ATOM 1449 CE2 PHE A 93 -5.176 -13.416 4.665 1.00 13.05 C ATOM 1450 CZ PHE A 93 -3.957 -12.872 5.014 1.00 31.53 C ATOM 0 H PHE A 93 -6.402 -8.430 5.233 1.00 61.11 H new ATOM 0 HA PHE A 93 -7.752 -10.256 3.480 1.00 20.13 H new ATOM 0 HB2 PHE A 93 -7.473 -10.033 6.494 1.00 13.45 H new ATOM 0 HB3 PHE A 93 -8.389 -11.310 5.720 1.00 13.45 H new ATOM 0 HD1 PHE A 93 -5.010 -9.887 6.154 1.00 53.20 H new ATOM 0 HD2 PHE A 93 -7.285 -13.121 4.580 1.00 61.24 H new ATOM 0 HE1 PHE A 93 -2.946 -11.175 5.825 1.00 33.33 H new ATOM 0 HE2 PHE A 93 -5.224 -14.410 4.244 1.00 13.05 H new ATOM 0 HZ PHE A 93 -3.050 -13.439 4.868 1.00 31.53 H new ATOM 1460 N ALA A 94 -9.477 -7.914 4.734 1.00 51.11 N ATOM 1461 CA ALA A 94 -10.801 -7.315 4.764 1.00 73.41 C ATOM 1462 C ALA A 94 -11.259 -6.971 3.351 1.00 31.23 C ATOM 1463 O ALA A 94 -12.443 -6.750 3.103 1.00 13.00 O ATOM 1464 CB ALA A 94 -10.805 -6.072 5.642 1.00 62.43 C ATOM 0 H ALA A 94 -8.715 -7.267 4.936 1.00 51.11 H new ATOM 0 HA ALA A 94 -11.498 -8.038 5.189 1.00 73.41 H new ATOM 0 HB1 ALA A 94 -11.804 -5.637 5.652 1.00 62.43 H new ATOM 0 HB2 ALA A 94 -10.517 -6.343 6.658 1.00 62.43 H new ATOM 0 HB3 ALA A 94 -10.097 -5.344 5.246 1.00 62.43 H new ATOM 1470 N LEU A 95 -10.307 -6.928 2.426 1.00 34.31 N ATOM 1471 CA LEU A 95 -10.599 -6.624 1.032 1.00 3.40 C ATOM 1472 C LEU A 95 -10.958 -7.891 0.275 1.00 22.01 C ATOM 1473 O LEU A 95 -10.914 -8.992 0.828 1.00 42.20 O ATOM 1474 CB LEU A 95 -9.389 -5.974 0.358 1.00 5.52 C ATOM 1475 CG LEU A 95 -8.919 -4.649 0.940 1.00 3.24 C ATOM 1476 CD1 LEU A 95 -7.658 -4.190 0.232 1.00 53.34 C ATOM 1477 CD2 LEU A 95 -10.009 -3.597 0.822 1.00 35.04 C ATOM 0 H LEU A 95 -9.321 -7.101 2.619 1.00 34.31 H new ATOM 0 HA LEU A 95 -11.442 -5.934 1.012 1.00 3.40 H new ATOM 0 HB2 LEU A 95 -8.558 -6.678 0.397 1.00 5.52 H new ATOM 0 HB3 LEU A 95 -9.627 -5.819 -0.694 1.00 5.52 H new ATOM 0 HG LEU A 95 -8.696 -4.791 1.998 1.00 3.24 H new ATOM 0 HD11 LEU A 95 -7.328 -3.241 0.655 1.00 53.34 H new ATOM 0 HD12 LEU A 95 -6.875 -4.937 0.363 1.00 53.34 H new ATOM 0 HD13 LEU A 95 -7.864 -4.062 -0.831 1.00 53.34 H new ATOM 0 HD21 LEU A 95 -9.654 -2.657 1.244 1.00 35.04 H new ATOM 0 HD22 LEU A 95 -10.262 -3.451 -0.228 1.00 35.04 H new ATOM 0 HD23 LEU A 95 -10.894 -3.927 1.366 1.00 35.04 H new ATOM 1489 N ARG A 96 -11.299 -7.733 -0.988 1.00 53.45 N ATOM 1490 CA ARG A 96 -11.619 -8.855 -1.852 1.00 10.22 C ATOM 1491 C ARG A 96 -10.918 -8.692 -3.187 1.00 60.34 C ATOM 1492 O ARG A 96 -10.349 -7.632 -3.462 1.00 32.35 O ATOM 1493 CB ARG A 96 -13.129 -8.972 -2.059 1.00 21.30 C ATOM 1494 CG ARG A 96 -13.889 -9.408 -0.819 1.00 43.23 C ATOM 1495 CD ARG A 96 -15.368 -9.581 -1.107 1.00 70.11 C ATOM 1496 NE ARG A 96 -15.613 -10.553 -2.177 1.00 14.54 N ATOM 1497 CZ ARG A 96 -16.628 -11.421 -2.190 1.00 4.45 C ATOM 1498 NH1 ARG A 96 -17.474 -11.480 -1.164 1.00 24.43 N ATOM 1499 NH2 ARG A 96 -16.789 -12.234 -3.227 1.00 65.53 N ATOM 0 H ARG A 96 -11.363 -6.824 -1.446 1.00 53.45 H new ATOM 0 HA ARG A 96 -11.271 -9.770 -1.373 1.00 10.22 H new ATOM 0 HB2 ARG A 96 -13.516 -8.008 -2.390 1.00 21.30 H new ATOM 0 HB3 ARG A 96 -13.322 -9.685 -2.861 1.00 21.30 H new ATOM 0 HG2 ARG A 96 -13.477 -10.347 -0.449 1.00 43.23 H new ATOM 0 HG3 ARG A 96 -13.755 -8.668 -0.030 1.00 43.23 H new ATOM 0 HD2 ARG A 96 -15.878 -9.905 -0.200 1.00 70.11 H new ATOM 0 HD3 ARG A 96 -15.797 -8.619 -1.387 1.00 70.11 H new ATOM 0 HE ARG A 96 -14.965 -10.567 -2.964 1.00 14.54 H new ATOM 0 HH11 ARG A 96 -17.349 -10.861 -0.363 1.00 24.43 H new ATOM 0 HH12 ARG A 96 -18.248 -12.145 -1.179 1.00 24.43 H new ATOM 0 HH21 ARG A 96 -16.138 -12.195 -4.012 1.00 65.53 H new ATOM 0 HH22 ARG A 96 -17.563 -12.898 -3.239 1.00 65.53 H new ATOM 1513 N THR A 97 -10.947 -9.736 -4.003 1.00 53.31 N ATOM 1514 CA THR A 97 -10.317 -9.712 -5.314 1.00 71.35 C ATOM 1515 C THR A 97 -10.886 -8.575 -6.174 1.00 53.41 C ATOM 1516 O THR A 97 -12.051 -8.612 -6.580 1.00 22.15 O ATOM 1517 CB THR A 97 -10.522 -11.056 -6.049 1.00 11.33 C ATOM 1518 OG1 THR A 97 -10.079 -12.149 -5.219 1.00 22.23 O ATOM 1519 CG2 THR A 97 -9.756 -11.078 -7.364 1.00 4.21 C ATOM 0 H THR A 97 -11.405 -10.619 -3.776 1.00 53.31 H new ATOM 0 HA THR A 97 -9.251 -9.546 -5.161 1.00 71.35 H new ATOM 0 HB THR A 97 -11.586 -11.166 -6.260 1.00 11.33 H new ATOM 0 HG1 THR A 97 -9.100 -12.148 -5.172 1.00 22.23 H new ATOM 0 HG21 THR A 97 -9.916 -12.034 -7.862 1.00 4.21 H new ATOM 0 HG22 THR A 97 -10.110 -10.271 -8.005 1.00 4.21 H new ATOM 0 HG23 THR A 97 -8.692 -10.945 -7.168 1.00 4.21 H new ATOM 1527 N GLY A 98 -10.065 -7.568 -6.429 1.00 71.45 N ATOM 1528 CA GLY A 98 -10.494 -6.446 -7.231 1.00 42.33 C ATOM 1529 C GLY A 98 -10.918 -5.256 -6.392 1.00 15.34 C ATOM 1530 O GLY A 98 -11.618 -4.366 -6.878 1.00 32.32 O ATOM 0 H GLY A 98 -9.104 -7.510 -6.092 1.00 71.45 H new ATOM 0 HA2 GLY A 98 -9.682 -6.147 -7.894 1.00 42.33 H new ATOM 0 HA3 GLY A 98 -11.326 -6.754 -7.864 1.00 42.33 H new ATOM 1534 N GLU A 99 -10.511 -5.234 -5.134 1.00 44.55 N ATOM 1535 CA GLU A 99 -10.851 -4.131 -4.251 1.00 2.44 C ATOM 1536 C GLU A 99 -9.596 -3.528 -3.623 1.00 54.02 C ATOM 1537 O GLU A 99 -8.601 -4.229 -3.388 1.00 51.44 O ATOM 1538 CB GLU A 99 -11.834 -4.585 -3.164 1.00 62.43 C ATOM 1539 CG GLU A 99 -12.274 -3.469 -2.222 1.00 34.32 C ATOM 1540 CD GLU A 99 -12.968 -2.328 -2.938 1.00 62.35 C ATOM 1541 OE1 GLU A 99 -12.270 -1.434 -3.470 1.00 32.32 O ATOM 1542 OE2 GLU A 99 -14.214 -2.311 -2.963 1.00 42.44 O ATOM 0 H GLU A 99 -9.946 -5.965 -4.702 1.00 44.55 H new ATOM 0 HA GLU A 99 -11.336 -3.360 -4.849 1.00 2.44 H new ATOM 0 HB2 GLU A 99 -12.716 -5.013 -3.641 1.00 62.43 H new ATOM 0 HB3 GLU A 99 -11.371 -5.380 -2.579 1.00 62.43 H new ATOM 0 HG2 GLU A 99 -12.946 -3.881 -1.469 1.00 34.32 H new ATOM 0 HG3 GLU A 99 -11.402 -3.082 -1.694 1.00 34.32 H new ATOM 1549 N MET A 100 -9.655 -2.235 -3.354 1.00 61.21 N ATOM 1550 CA MET A 100 -8.545 -1.505 -2.780 1.00 30.13 C ATOM 1551 C MET A 100 -8.996 -0.805 -1.502 1.00 41.24 C ATOM 1552 O MET A 100 -10.134 -0.342 -1.413 1.00 21.11 O ATOM 1553 CB MET A 100 -8.025 -0.480 -3.792 1.00 62.30 C ATOM 1554 CG MET A 100 -6.700 0.159 -3.415 1.00 33.43 C ATOM 1555 SD MET A 100 -6.092 1.288 -4.681 1.00 53.23 S ATOM 1556 CE MET A 100 -7.322 2.577 -4.591 1.00 55.43 C ATOM 0 H MET A 100 -10.480 -1.662 -3.530 1.00 61.21 H new ATOM 0 HA MET A 100 -7.741 -2.199 -2.536 1.00 30.13 H new ATOM 0 HB2 MET A 100 -7.917 -0.967 -4.761 1.00 62.30 H new ATOM 0 HB3 MET A 100 -8.772 0.305 -3.912 1.00 62.30 H new ATOM 0 HG2 MET A 100 -6.816 0.700 -2.476 1.00 33.43 H new ATOM 0 HG3 MET A 100 -5.959 -0.622 -3.244 1.00 33.43 H new ATOM 0 HE1 MET A 100 -7.058 3.380 -5.279 1.00 55.43 H new ATOM 0 HE2 MET A 100 -8.296 2.170 -4.864 1.00 55.43 H new ATOM 0 HE3 MET A 100 -7.365 2.969 -3.575 1.00 55.43 H new ATOM 1566 N SER A 101 -8.116 -0.742 -0.522 1.00 55.14 N ATOM 1567 CA SER A 101 -8.431 -0.119 0.752 1.00 53.13 C ATOM 1568 C SER A 101 -8.197 1.383 0.695 1.00 2.44 C ATOM 1569 O SER A 101 -7.873 1.940 -0.364 1.00 62.22 O ATOM 1570 CB SER A 101 -7.568 -0.731 1.860 1.00 54.21 C ATOM 1571 OG SER A 101 -6.184 -0.514 1.607 1.00 14.33 O ATOM 0 H SER A 101 -7.170 -1.117 -0.583 1.00 55.14 H new ATOM 0 HA SER A 101 -9.484 -0.298 0.968 1.00 53.13 H new ATOM 0 HB2 SER A 101 -7.839 -0.293 2.821 1.00 54.21 H new ATOM 0 HB3 SER A 101 -7.765 -1.801 1.931 1.00 54.21 H new ATOM 0 HG SER A 101 -5.663 -0.767 2.398 1.00 14.33 H new ATOM 1577 N GLY A 102 -8.367 2.034 1.829 1.00 1.01 N ATOM 1578 CA GLY A 102 -8.108 3.440 1.917 1.00 51.50 C ATOM 1579 C GLY A 102 -6.709 3.699 2.429 1.00 43.31 C ATOM 1580 O GLY A 102 -5.849 2.812 2.357 1.00 73.34 O ATOM 0 H GLY A 102 -8.684 1.603 2.697 1.00 1.01 H new ATOM 0 HA2 GLY A 102 -8.231 3.899 0.936 1.00 51.50 H new ATOM 0 HA3 GLY A 102 -8.835 3.907 2.581 1.00 51.50 H new ATOM 1584 N PRO A 103 -6.444 4.895 2.953 1.00 13.04 N ATOM 1585 CA PRO A 103 -5.132 5.247 3.480 1.00 71.11 C ATOM 1586 C PRO A 103 -4.826 4.528 4.795 1.00 53.51 C ATOM 1587 O PRO A 103 -5.382 4.862 5.844 1.00 71.43 O ATOM 1588 CB PRO A 103 -5.224 6.770 3.716 1.00 4.14 C ATOM 1589 CG PRO A 103 -6.492 7.200 3.052 1.00 24.42 C ATOM 1590 CD PRO A 103 -7.391 6.004 3.067 1.00 71.31 C ATOM 0 HA PRO A 103 -4.334 4.958 2.796 1.00 71.11 H new ATOM 0 HB2 PRO A 103 -5.240 7.002 4.781 1.00 4.14 H new ATOM 0 HB3 PRO A 103 -4.363 7.286 3.290 1.00 4.14 H new ATOM 0 HG2 PRO A 103 -6.946 8.036 3.583 1.00 24.42 H new ATOM 0 HG3 PRO A 103 -6.304 7.534 2.032 1.00 24.42 H new ATOM 0 HD2 PRO A 103 -7.975 5.946 3.986 1.00 71.31 H new ATOM 0 HD3 PRO A 103 -8.100 6.019 2.239 1.00 71.31 H new ATOM 1598 N VAL A 104 -3.964 3.531 4.729 1.00 70.44 N ATOM 1599 CA VAL A 104 -3.551 2.804 5.915 1.00 53.12 C ATOM 1600 C VAL A 104 -2.334 3.482 6.526 1.00 3.22 C ATOM 1601 O VAL A 104 -1.224 3.396 5.992 1.00 31.44 O ATOM 1602 CB VAL A 104 -3.217 1.326 5.594 1.00 33.11 C ATOM 1603 CG1 VAL A 104 -2.758 0.590 6.846 1.00 3.03 C ATOM 1604 CG2 VAL A 104 -4.421 0.630 4.974 1.00 71.14 C ATOM 0 H VAL A 104 -3.535 3.205 3.863 1.00 70.44 H new ATOM 0 HA VAL A 104 -4.381 2.813 6.622 1.00 53.12 H new ATOM 0 HB VAL A 104 -2.400 1.310 4.873 1.00 33.11 H new ATOM 0 HG11 VAL A 104 -2.529 -0.446 6.596 1.00 3.03 H new ATOM 0 HG12 VAL A 104 -1.866 1.072 7.245 1.00 3.03 H new ATOM 0 HG13 VAL A 104 -3.550 0.616 7.594 1.00 3.03 H new ATOM 0 HG21 VAL A 104 -4.169 -0.407 4.755 1.00 71.14 H new ATOM 0 HG22 VAL A 104 -5.258 0.660 5.672 1.00 71.14 H new ATOM 0 HG23 VAL A 104 -4.700 1.138 4.051 1.00 71.14 H new ATOM 1614 N PHE A 105 -2.550 4.169 7.626 1.00 32.22 N ATOM 1615 CA PHE A 105 -1.492 4.910 8.283 1.00 53.14 C ATOM 1616 C PHE A 105 -0.654 4.005 9.174 1.00 2.35 C ATOM 1617 O PHE A 105 -1.184 3.156 9.888 1.00 24.01 O ATOM 1618 CB PHE A 105 -2.081 6.051 9.107 1.00 2.03 C ATOM 1619 CG PHE A 105 -2.921 7.007 8.310 1.00 41.52 C ATOM 1620 CD1 PHE A 105 -2.331 7.986 7.534 1.00 52.41 C ATOM 1621 CD2 PHE A 105 -4.301 6.926 8.340 1.00 71.31 C ATOM 1622 CE1 PHE A 105 -3.102 8.867 6.802 1.00 30.22 C ATOM 1623 CE2 PHE A 105 -5.078 7.803 7.611 1.00 55.12 C ATOM 1624 CZ PHE A 105 -4.477 8.775 6.841 1.00 42.40 C ATOM 0 H PHE A 105 -3.457 4.231 8.089 1.00 32.22 H new ATOM 0 HA PHE A 105 -0.842 5.322 7.511 1.00 53.14 H new ATOM 0 HB2 PHE A 105 -2.688 5.631 9.909 1.00 2.03 H new ATOM 0 HB3 PHE A 105 -1.268 6.603 9.578 1.00 2.03 H new ATOM 0 HD1 PHE A 105 -1.254 8.063 7.500 1.00 52.41 H new ATOM 0 HD2 PHE A 105 -4.777 6.166 8.942 1.00 71.31 H new ATOM 0 HE1 PHE A 105 -2.628 9.628 6.199 1.00 30.22 H new ATOM 0 HE2 PHE A 105 -6.155 7.728 7.644 1.00 55.12 H new ATOM 0 HZ PHE A 105 -5.082 9.463 6.269 1.00 42.40 H new ATOM 1634 N THR A 106 0.654 4.189 9.116 1.00 1.12 N ATOM 1635 CA THR A 106 1.593 3.424 9.925 1.00 61.33 C ATOM 1636 C THR A 106 2.754 4.322 10.338 1.00 14.44 C ATOM 1637 O THR A 106 2.690 5.539 10.164 1.00 4.03 O ATOM 1638 CB THR A 106 2.162 2.221 9.141 1.00 42.45 C ATOM 1639 OG1 THR A 106 2.719 2.680 7.910 1.00 65.34 O ATOM 1640 CG2 THR A 106 1.091 1.172 8.861 1.00 72.41 C ATOM 0 H THR A 106 1.098 4.875 8.505 1.00 1.12 H new ATOM 0 HA THR A 106 1.058 3.054 10.799 1.00 61.33 H new ATOM 0 HB THR A 106 2.934 1.753 9.752 1.00 42.45 H new ATOM 0 HG1 THR A 106 3.578 2.236 7.754 1.00 65.34 H new ATOM 0 HG21 THR A 106 1.531 0.342 8.308 1.00 72.41 H new ATOM 0 HG22 THR A 106 0.685 0.805 9.804 1.00 72.41 H new ATOM 0 HG23 THR A 106 0.291 1.618 8.271 1.00 72.41 H new ATOM 1648 N ASP A 107 3.813 3.726 10.870 1.00 73.12 N ATOM 1649 CA ASP A 107 5.001 4.487 11.259 1.00 3.34 C ATOM 1650 C ASP A 107 5.964 4.625 10.091 1.00 5.10 C ATOM 1651 O ASP A 107 7.007 5.273 10.202 1.00 54.34 O ATOM 1652 CB ASP A 107 5.713 3.830 12.443 1.00 24.40 C ATOM 1653 CG ASP A 107 4.983 4.033 13.745 1.00 60.14 C ATOM 1654 OD1 ASP A 107 5.232 5.058 14.414 1.00 43.43 O ATOM 1655 OD2 ASP A 107 4.150 3.175 14.108 1.00 65.54 O ATOM 0 H ASP A 107 3.877 2.723 11.043 1.00 73.12 H new ATOM 0 HA ASP A 107 4.669 5.480 11.560 1.00 3.34 H new ATOM 0 HB2 ASP A 107 5.817 2.762 12.252 1.00 24.40 H new ATOM 0 HB3 ASP A 107 6.720 4.238 12.528 1.00 24.40 H new ATOM 1660 N SER A 108 5.618 4.010 8.978 1.00 3.31 N ATOM 1661 CA SER A 108 6.441 4.070 7.788 1.00 10.22 C ATOM 1662 C SER A 108 5.753 4.879 6.698 1.00 41.02 C ATOM 1663 O SER A 108 6.160 4.856 5.542 1.00 60.14 O ATOM 1664 CB SER A 108 6.745 2.657 7.294 1.00 23.43 C ATOM 1665 OG SER A 108 5.564 1.862 7.262 1.00 43.04 O ATOM 0 H SER A 108 4.766 3.459 8.873 1.00 3.31 H new ATOM 0 HA SER A 108 7.379 4.567 8.037 1.00 10.22 H new ATOM 0 HB2 SER A 108 7.184 2.703 6.297 1.00 23.43 H new ATOM 0 HB3 SER A 108 7.484 2.191 7.946 1.00 23.43 H new ATOM 0 HG SER A 108 5.100 2.000 6.410 1.00 43.04 H new ATOM 1671 N GLY A 109 4.718 5.603 7.077 1.00 3.02 N ATOM 1672 CA GLY A 109 3.987 6.388 6.121 1.00 63.31 C ATOM 1673 C GLY A 109 2.607 5.836 5.871 1.00 24.15 C ATOM 1674 O GLY A 109 2.045 5.134 6.724 1.00 61.03 O ATOM 0 H GLY A 109 4.372 5.659 8.035 1.00 3.02 H new ATOM 0 HA2 GLY A 109 3.907 7.414 6.480 1.00 63.31 H new ATOM 0 HA3 GLY A 109 4.539 6.421 5.182 1.00 63.31 H new ATOM 1678 N ILE A 110 2.065 6.130 4.709 1.00 1.22 N ATOM 1679 CA ILE A 110 0.731 5.688 4.357 1.00 53.43 C ATOM 1680 C ILE A 110 0.802 4.555 3.341 1.00 51.43 C ATOM 1681 O ILE A 110 1.562 4.625 2.372 1.00 3.51 O ATOM 1682 CB ILE A 110 -0.100 6.848 3.775 1.00 2.33 C ATOM 1683 CG1 ILE A 110 0.020 8.085 4.674 1.00 55.31 C ATOM 1684 CG2 ILE A 110 -1.559 6.431 3.635 1.00 13.01 C ATOM 1685 CD1 ILE A 110 -0.652 9.318 4.115 1.00 44.34 C ATOM 0 H ILE A 110 2.531 6.678 3.986 1.00 1.22 H new ATOM 0 HA ILE A 110 0.246 5.332 5.266 1.00 53.43 H new ATOM 0 HB ILE A 110 0.285 7.097 2.786 1.00 2.33 H new ATOM 0 HG12 ILE A 110 -0.413 7.857 5.648 1.00 55.31 H new ATOM 0 HG13 ILE A 110 1.076 8.302 4.838 1.00 55.31 H new ATOM 0 HG21 ILE A 110 -2.136 7.259 3.223 1.00 13.01 H new ATOM 0 HG22 ILE A 110 -1.629 5.572 2.968 1.00 13.01 H new ATOM 0 HG23 ILE A 110 -1.957 6.164 4.614 1.00 13.01 H new ATOM 0 HD11 ILE A 110 -0.523 10.149 4.809 1.00 44.34 H new ATOM 0 HD12 ILE A 110 -0.203 9.573 3.155 1.00 44.34 H new ATOM 0 HD13 ILE A 110 -1.715 9.122 3.978 1.00 44.34 H new ATOM 1697 N HIS A 111 0.023 3.511 3.573 1.00 4.12 N ATOM 1698 CA HIS A 111 0.018 2.346 2.700 1.00 50.55 C ATOM 1699 C HIS A 111 -1.335 2.178 2.024 1.00 51.12 C ATOM 1700 O HIS A 111 -2.377 2.360 2.650 1.00 62.10 O ATOM 1701 CB HIS A 111 0.338 1.064 3.493 1.00 24.05 C ATOM 1702 CG HIS A 111 1.677 1.054 4.172 1.00 4.25 C ATOM 1703 ND1 HIS A 111 2.667 0.144 3.875 1.00 24.03 N ATOM 1704 CD2 HIS A 111 2.172 1.825 5.162 1.00 64.42 C ATOM 1705 CE1 HIS A 111 3.710 0.358 4.654 1.00 22.12 C ATOM 1706 NE2 HIS A 111 3.436 1.371 5.441 1.00 54.41 N ATOM 0 H HIS A 111 -0.618 3.446 4.364 1.00 4.12 H new ATOM 0 HA HIS A 111 0.785 2.507 1.942 1.00 50.55 H new ATOM 0 HB2 HIS A 111 -0.436 0.919 4.247 1.00 24.05 H new ATOM 0 HB3 HIS A 111 0.285 0.213 2.814 1.00 24.05 H new ATOM 0 HD1 HIS A 111 2.604 -0.583 3.163 1.00 24.03 H new ATOM 0 HD2 HIS A 111 1.667 2.648 5.646 1.00 64.42 H new ATOM 0 HE1 HIS A 111 4.632 -0.205 4.645 1.00 22.12 H new ATOM 1715 N ILE A 112 -1.306 1.856 0.750 1.00 63.34 N ATOM 1716 CA ILE A 112 -2.512 1.551 -0.001 1.00 25.10 C ATOM 1717 C ILE A 112 -2.491 0.066 -0.347 1.00 10.43 C ATOM 1718 O ILE A 112 -1.469 -0.442 -0.818 1.00 45.31 O ATOM 1719 CB ILE A 112 -2.596 2.374 -1.309 1.00 55.44 C ATOM 1720 CG1 ILE A 112 -2.360 3.862 -1.027 1.00 23.35 C ATOM 1721 CG2 ILE A 112 -3.953 2.171 -1.971 1.00 62.13 C ATOM 1722 CD1 ILE A 112 -2.330 4.724 -2.274 1.00 34.22 C ATOM 0 H ILE A 112 -0.448 1.797 0.202 1.00 63.34 H new ATOM 0 HA ILE A 112 -3.379 1.806 0.609 1.00 25.10 H new ATOM 0 HB ILE A 112 -1.817 2.025 -1.987 1.00 55.44 H new ATOM 0 HG12 ILE A 112 -3.145 4.226 -0.364 1.00 23.35 H new ATOM 0 HG13 ILE A 112 -1.416 3.976 -0.495 1.00 23.35 H new ATOM 0 HG21 ILE A 112 -4.000 2.755 -2.890 1.00 62.13 H new ATOM 0 HG22 ILE A 112 -4.090 1.115 -2.204 1.00 62.13 H new ATOM 0 HG23 ILE A 112 -4.741 2.498 -1.293 1.00 62.13 H new ATOM 0 HD11 ILE A 112 -2.159 5.763 -1.994 1.00 34.22 H new ATOM 0 HD12 ILE A 112 -1.527 4.388 -2.929 1.00 34.22 H new ATOM 0 HD13 ILE A 112 -3.283 4.641 -2.796 1.00 34.22 H new ATOM 1734 N ILE A 113 -3.589 -0.628 -0.104 1.00 3.33 N ATOM 1735 CA ILE A 113 -3.638 -2.068 -0.330 1.00 51.23 C ATOM 1736 C ILE A 113 -4.645 -2.426 -1.416 1.00 62.20 C ATOM 1737 O ILE A 113 -5.778 -1.958 -1.396 1.00 64.14 O ATOM 1738 CB ILE A 113 -4.023 -2.814 0.965 1.00 34.31 C ATOM 1739 CG1 ILE A 113 -3.178 -2.312 2.136 1.00 72.21 C ATOM 1740 CG2 ILE A 113 -3.845 -4.317 0.785 1.00 41.21 C ATOM 1741 CD1 ILE A 113 -3.613 -2.856 3.474 1.00 3.53 C ATOM 0 H ILE A 113 -4.457 -0.223 0.248 1.00 3.33 H new ATOM 0 HA ILE A 113 -2.642 -2.374 -0.650 1.00 51.23 H new ATOM 0 HB ILE A 113 -5.072 -2.615 1.183 1.00 34.31 H new ATOM 0 HG12 ILE A 113 -2.137 -2.584 1.964 1.00 72.21 H new ATOM 0 HG13 ILE A 113 -3.222 -1.223 2.164 1.00 72.21 H new ATOM 0 HG21 ILE A 113 -4.121 -4.829 1.707 1.00 41.21 H new ATOM 0 HG22 ILE A 113 -4.483 -4.664 -0.028 1.00 41.21 H new ATOM 0 HG23 ILE A 113 -2.804 -4.534 0.547 1.00 41.21 H new ATOM 0 HD11 ILE A 113 -2.968 -2.456 4.256 1.00 3.53 H new ATOM 0 HD12 ILE A 113 -4.644 -2.562 3.669 1.00 3.53 H new ATOM 0 HD13 ILE A 113 -3.542 -3.944 3.465 1.00 3.53 H new ATOM 1753 N LEU A 114 -4.225 -3.254 -2.353 1.00 22.33 N ATOM 1754 CA LEU A 114 -5.094 -3.713 -3.429 1.00 52.50 C ATOM 1755 C LEU A 114 -5.032 -5.227 -3.548 1.00 73.14 C ATOM 1756 O LEU A 114 -3.967 -5.788 -3.793 1.00 53.10 O ATOM 1757 CB LEU A 114 -4.683 -3.077 -4.765 1.00 21.42 C ATOM 1758 CG LEU A 114 -5.390 -3.627 -6.016 1.00 10.43 C ATOM 1759 CD1 LEU A 114 -6.862 -3.259 -6.020 1.00 33.15 C ATOM 1760 CD2 LEU A 114 -4.712 -3.128 -7.279 1.00 11.44 C ATOM 0 H LEU A 114 -3.277 -3.628 -2.394 1.00 22.33 H new ATOM 0 HA LEU A 114 -6.114 -3.412 -3.192 1.00 52.50 H new ATOM 0 HB2 LEU A 114 -4.870 -2.005 -4.708 1.00 21.42 H new ATOM 0 HB3 LEU A 114 -3.608 -3.207 -4.892 1.00 21.42 H new ATOM 0 HG LEU A 114 -5.315 -4.714 -5.991 1.00 10.43 H new ATOM 0 HD11 LEU A 114 -7.335 -3.661 -6.916 1.00 33.15 H new ATOM 0 HD12 LEU A 114 -7.344 -3.677 -5.136 1.00 33.15 H new ATOM 0 HD13 LEU A 114 -6.966 -2.174 -6.011 1.00 33.15 H new ATOM 0 HD21 LEU A 114 -5.228 -3.529 -8.152 1.00 11.44 H new ATOM 0 HD22 LEU A 114 -4.748 -2.039 -7.305 1.00 11.44 H new ATOM 0 HD23 LEU A 114 -3.673 -3.457 -7.289 1.00 11.44 H new ATOM 1772 N ARG A 115 -6.160 -5.890 -3.367 1.00 22.14 N ATOM 1773 CA ARG A 115 -6.203 -7.336 -3.516 1.00 22.45 C ATOM 1774 C ARG A 115 -6.406 -7.717 -4.964 1.00 75.50 C ATOM 1775 O ARG A 115 -7.509 -7.594 -5.497 1.00 23.11 O ATOM 1776 CB ARG A 115 -7.305 -7.974 -2.667 1.00 71.13 C ATOM 1777 CG ARG A 115 -6.873 -8.371 -1.270 1.00 21.20 C ATOM 1778 CD ARG A 115 -7.890 -9.307 -0.628 1.00 5.32 C ATOM 1779 NE ARG A 115 -8.075 -10.541 -1.410 1.00 4.35 N ATOM 1780 CZ ARG A 115 -8.989 -11.487 -1.148 1.00 71.23 C ATOM 1781 NH1 ARG A 115 -9.848 -11.341 -0.143 1.00 44.43 N ATOM 1782 NH2 ARG A 115 -9.051 -12.564 -1.911 1.00 20.13 N ATOM 0 H ARG A 115 -7.050 -5.458 -3.119 1.00 22.14 H new ATOM 0 HA ARG A 115 -5.243 -7.715 -3.165 1.00 22.45 H new ATOM 0 HB2 ARG A 115 -8.138 -7.275 -2.591 1.00 71.13 H new ATOM 0 HB3 ARG A 115 -7.677 -8.859 -3.183 1.00 71.13 H new ATOM 0 HG2 ARG A 115 -5.900 -8.860 -1.312 1.00 21.20 H new ATOM 0 HG3 ARG A 115 -6.756 -7.479 -0.655 1.00 21.20 H new ATOM 0 HD2 ARG A 115 -7.562 -9.562 0.380 1.00 5.32 H new ATOM 0 HD3 ARG A 115 -8.846 -8.792 -0.531 1.00 5.32 H new ATOM 0 HE ARG A 115 -7.462 -10.687 -2.212 1.00 4.35 H new ATOM 0 HH11 ARG A 115 -9.816 -10.503 0.438 1.00 44.43 H new ATOM 0 HH12 ARG A 115 -10.539 -12.067 0.047 1.00 44.43 H new ATOM 0 HH21 ARG A 115 -8.406 -12.672 -2.694 1.00 20.13 H new ATOM 0 HH22 ARG A 115 -9.744 -13.287 -1.717 1.00 20.13 H new ATOM 1796 N THR A 116 -5.347 -8.156 -5.602 1.00 61.22 N ATOM 1797 CA THR A 116 -5.425 -8.599 -6.972 1.00 20.41 C ATOM 1798 C THR A 116 -5.960 -10.023 -7.024 1.00 62.55 C ATOM 1799 O THR A 116 -6.675 -10.404 -7.954 1.00 11.41 O ATOM 1800 CB THR A 116 -4.054 -8.517 -7.651 1.00 74.34 C ATOM 1801 OG1 THR A 116 -3.048 -9.038 -6.767 1.00 3.11 O ATOM 1802 CG2 THR A 116 -3.724 -7.074 -8.006 1.00 2.01 C ATOM 0 H THR A 116 -4.416 -8.216 -5.190 1.00 61.22 H new ATOM 0 HA THR A 116 -6.107 -7.942 -7.512 1.00 20.41 H new ATOM 0 HB THR A 116 -4.078 -9.107 -8.567 1.00 74.34 H new ATOM 0 HG1 THR A 116 -2.172 -8.987 -7.203 1.00 3.11 H new ATOM 0 HG21 THR A 116 -2.747 -7.032 -8.488 1.00 2.01 H new ATOM 0 HG22 THR A 116 -4.481 -6.684 -8.687 1.00 2.01 H new ATOM 0 HG23 THR A 116 -3.707 -6.471 -7.098 1.00 2.01 H new ATOM 1810 N GLU A 117 -5.617 -10.796 -6.005 1.00 74.33 N ATOM 1811 CA GLU A 117 -6.101 -12.151 -5.857 1.00 13.14 C ATOM 1812 C GLU A 117 -6.540 -12.372 -4.420 1.00 62.54 C ATOM 1813 O GLU A 117 -5.695 -12.761 -3.586 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.032 -13.179 -6.245 1.00 24.30 C ATOM 1815 CG GLU A 117 -4.631 -13.145 -7.708 1.00 72.11 C ATOM 1816 CD GLU A 117 -3.628 -14.218 -8.051 1.00 41.54 C ATOM 1817 OE1 GLU A 117 -4.008 -15.408 -8.064 1.00 41.43 O ATOM 1818 OE2 GLU A 117 -2.452 -13.880 -8.305 1.00 63.13 O ATOM 1819 OXT GLU A 117 -7.721 -12.127 -4.124 1.00 0.00 O ATOM 0 H GLU A 117 -4.992 -10.496 -5.257 1.00 74.33 H new ATOM 0 HA GLU A 117 -6.947 -12.288 -6.530 1.00 13.14 H new ATOM 0 HB2 GLU A 117 -4.145 -13.011 -5.634 1.00 24.30 H new ATOM 0 HB3 GLU A 117 -5.400 -14.176 -6.005 1.00 24.30 H new ATOM 0 HG2 GLU A 117 -5.518 -13.268 -8.329 1.00 72.11 H new ATOM 0 HG3 GLU A 117 -4.210 -12.168 -7.945 1.00 72.11 H new TER 1826 GLU A 117