USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=37 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 -139:sc= 0.687 USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -3.49! C(o=-3.8!,f=-2.8!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ 167:sc= 0.809 (180deg=-0.0419) USER MOD Set 2.2: A 26 SER OG : rot 50:sc= 0.633 USER MOD Set 3.1: A 13 HIS : no HE2:sc= -1.13 K(o=-0.76,f=-7.8!) USER MOD Set 3.2: A 67 CYS SG : rot 170:sc= -0.872 USER MOD Set 3.3: A 69 SER OG : rot -154:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0811 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00126 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -135:sc= -3.65! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.3) USER MOD Single : A 19 SER OG : rot 62:sc= 1.13 USER MOD Single : A 20 GLN : amide:sc= -0.0582 K(o=-0.058,f=-0.78) USER MOD Single : A 21 SER OG : rot 180:sc= -0.454 USER MOD Single : A 25 SER OG : rot 84:sc= 1.23 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-2,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0525 (180deg=-0.35) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0996 K(o=-0.1,f=-0.7) USER MOD Single : A 46 TYR OH : rot -37:sc= 0.152 USER MOD Single : A 48 GLN : amide:sc= -0.0754 K(o=-0.075,f=-0.8) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= 1.14 (180deg=1.01) USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= -0.987 (180deg=-2.51!) USER MOD Single : A 52 SER OG : rot 92:sc= 1.27 USER MOD Single : A 59 SER OG : rot 180:sc= -0.145 USER MOD Single : A 62 SER OG : rot 42:sc= 1.16 USER MOD Single : A 63 GLN :FLIP amide:sc=-0.00984 F(o=-1.1,f=-0.0098) USER MOD Single : A 65 SER OG : rot 141:sc= -1.82! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.0222 (180deg=-0.176) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 83 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.33) USER MOD Single : A 84 MET CE :methyl 161:sc= -0.156 (180deg=-0.677) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 74:sc= 1.1 USER MOD Single : A 97 THR OG1 : rot -97:sc= 1.24 USER MOD Single : A 100 MET CE :methyl 167:sc= -0.308 (180deg=-0.845) USER MOD Single : A 101 SER OG : rot 180:sc= 0.714 USER MOD Single : A 108 SER OG : rot -2:sc= 0.158 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.066 -16.128 2.518 1.00 70.40 N ATOM 2 CA GLY A 1 -21.935 -16.611 3.328 1.00 44.01 C ATOM 3 C GLY A 1 -20.615 -16.268 2.697 1.00 34.10 C ATOM 4 O GLY A 1 -20.542 -15.393 1.831 1.00 71.34 O ATOM 0 H1 GLY A 1 -23.767 -15.674 3.137 1.00 70.40 H new ATOM 0 H2 GLY A 1 -22.723 -15.439 1.819 1.00 70.40 H new ATOM 0 H3 GLY A 1 -23.508 -16.930 2.025 1.00 70.40 H new ATOM 0 HA2 GLY A 1 -21.987 -16.172 4.325 1.00 44.01 H new ATOM 0 HA3 GLY A 1 -22.010 -17.691 3.451 1.00 44.01 H new ATOM 10 N SER A 2 -19.572 -16.944 3.120 1.00 45.23 N ATOM 11 CA SER A 2 -18.256 -16.717 2.582 1.00 55.25 C ATOM 12 C SER A 2 -17.546 -18.046 2.384 1.00 42.13 C ATOM 13 O SER A 2 -17.960 -19.064 2.946 1.00 23.21 O ATOM 14 CB SER A 2 -17.447 -15.808 3.520 1.00 40.35 C ATOM 15 OG SER A 2 -16.190 -15.470 2.955 1.00 41.14 O ATOM 0 H SER A 2 -19.614 -17.662 3.843 1.00 45.23 H new ATOM 0 HA SER A 2 -18.346 -16.219 1.617 1.00 55.25 H new ATOM 0 HB2 SER A 2 -18.012 -14.899 3.725 1.00 40.35 H new ATOM 0 HB3 SER A 2 -17.295 -16.311 4.475 1.00 40.35 H new ATOM 0 HG SER A 2 -15.699 -14.890 3.573 1.00 41.14 H new ATOM 21 N HIS A 3 -16.504 -18.044 1.568 1.00 32.34 N ATOM 22 CA HIS A 3 -15.719 -19.247 1.332 1.00 73.11 C ATOM 23 C HIS A 3 -14.773 -19.478 2.492 1.00 51.40 C ATOM 24 O HIS A 3 -14.696 -18.655 3.410 1.00 53.35 O ATOM 25 CB HIS A 3 -14.910 -19.141 0.029 1.00 63.11 C ATOM 26 CG HIS A 3 -15.730 -19.145 -1.221 1.00 74.01 C ATOM 27 ND1 HIS A 3 -16.391 -20.258 -1.686 1.00 43.43 N ATOM 28 CD2 HIS A 3 -15.985 -18.163 -2.114 1.00 71.30 C ATOM 29 CE1 HIS A 3 -17.014 -19.961 -2.807 1.00 12.14 C ATOM 30 NE2 HIS A 3 -16.784 -18.697 -3.087 1.00 13.54 N ATOM 0 H HIS A 3 -16.181 -17.222 1.057 1.00 32.34 H new ATOM 0 HA HIS A 3 -16.409 -20.086 1.241 1.00 73.11 H new ATOM 0 HB2 HIS A 3 -14.321 -18.224 0.057 1.00 63.11 H new ATOM 0 HB3 HIS A 3 -14.205 -19.971 -0.013 1.00 63.11 H new ATOM 0 HD2 HIS A 3 -15.625 -17.146 -2.068 1.00 71.30 H new ATOM 0 HE1 HIS A 3 -17.612 -20.640 -3.396 1.00 12.14 H new ATOM 0 HE2 HIS A 3 -17.144 -18.196 -3.899 1.00 13.54 H new ATOM 39 N MET A 4 -14.056 -20.588 2.454 1.00 62.53 N ATOM 40 CA MET A 4 -13.086 -20.898 3.487 1.00 0.42 C ATOM 41 C MET A 4 -12.025 -19.809 3.548 1.00 20.53 C ATOM 42 O MET A 4 -11.495 -19.397 2.511 1.00 64.23 O ATOM 43 CB MET A 4 -12.424 -22.251 3.215 1.00 24.40 C ATOM 44 CG MET A 4 -11.333 -22.608 4.212 1.00 60.25 C ATOM 45 SD MET A 4 -10.498 -24.152 3.812 1.00 61.21 S ATOM 46 CE MET A 4 -9.236 -24.180 5.087 1.00 10.33 C ATOM 0 H MET A 4 -14.128 -21.290 1.717 1.00 62.53 H new ATOM 0 HA MET A 4 -13.605 -20.949 4.444 1.00 0.42 H new ATOM 0 HB2 MET A 4 -13.187 -23.029 3.231 1.00 24.40 H new ATOM 0 HB3 MET A 4 -11.998 -22.242 2.212 1.00 24.40 H new ATOM 0 HG2 MET A 4 -10.600 -21.802 4.245 1.00 60.25 H new ATOM 0 HG3 MET A 4 -11.769 -22.684 5.208 1.00 60.25 H new ATOM 0 HE1 MET A 4 -8.629 -25.079 4.978 1.00 10.33 H new ATOM 0 HE2 MET A 4 -8.601 -23.299 4.990 1.00 10.33 H new ATOM 0 HE3 MET A 4 -9.710 -24.179 6.068 1.00 10.33 H new ATOM 56 N GLU A 5 -11.741 -19.328 4.747 1.00 31.54 N ATOM 57 CA GLU A 5 -10.738 -18.292 4.936 1.00 75.51 C ATOM 58 C GLU A 5 -9.357 -18.829 4.550 1.00 34.04 C ATOM 59 O GLU A 5 -8.838 -19.741 5.199 1.00 45.12 O ATOM 60 CB GLU A 5 -10.721 -17.829 6.393 1.00 33.15 C ATOM 61 CG GLU A 5 -9.880 -16.587 6.633 1.00 35.01 C ATOM 62 CD GLU A 5 -10.566 -15.322 6.169 1.00 22.11 C ATOM 63 OE1 GLU A 5 -10.662 -15.096 4.945 1.00 14.24 O ATOM 64 OE2 GLU A 5 -11.024 -14.547 7.035 1.00 23.11 O ATOM 0 H GLU A 5 -12.192 -19.639 5.607 1.00 31.54 H new ATOM 0 HA GLU A 5 -10.987 -17.444 4.299 1.00 75.51 H new ATOM 0 HB2 GLU A 5 -11.744 -17.631 6.713 1.00 33.15 H new ATOM 0 HB3 GLU A 5 -10.343 -18.639 7.017 1.00 33.15 H new ATOM 0 HG2 GLU A 5 -9.655 -16.505 7.696 1.00 35.01 H new ATOM 0 HG3 GLU A 5 -8.928 -16.691 6.113 1.00 35.01 H new ATOM 71 N PRO A 6 -8.748 -18.278 3.490 1.00 42.13 N ATOM 72 CA PRO A 6 -7.447 -18.729 3.012 1.00 42.54 C ATOM 73 C PRO A 6 -6.328 -18.353 3.968 1.00 52.21 C ATOM 74 O PRO A 6 -6.396 -17.326 4.654 1.00 21.01 O ATOM 75 CB PRO A 6 -7.264 -17.991 1.674 1.00 4.12 C ATOM 76 CG PRO A 6 -8.590 -17.380 1.369 1.00 22.12 C ATOM 77 CD PRO A 6 -9.264 -17.171 2.685 1.00 23.51 C ATOM 0 HA PRO A 6 -7.408 -19.814 2.920 1.00 42.54 H new ATOM 0 HB2 PRO A 6 -6.489 -17.228 1.750 1.00 4.12 H new ATOM 0 HB3 PRO A 6 -6.958 -18.679 0.885 1.00 4.12 H new ATOM 0 HG2 PRO A 6 -8.471 -16.435 0.838 1.00 22.12 H new ATOM 0 HG3 PRO A 6 -9.182 -18.033 0.728 1.00 22.12 H new ATOM 0 HD2 PRO A 6 -9.013 -16.203 3.119 1.00 23.51 H new ATOM 0 HD3 PRO A 6 -10.350 -17.208 2.594 1.00 23.51 H new ATOM 85 N ALA A 7 -5.309 -19.188 4.026 1.00 21.40 N ATOM 86 CA ALA A 7 -4.157 -18.924 4.862 1.00 62.10 C ATOM 87 C ALA A 7 -3.180 -18.035 4.119 1.00 0.31 C ATOM 88 O ALA A 7 -2.358 -17.349 4.725 1.00 41.23 O ATOM 89 CB ALA A 7 -3.491 -20.224 5.272 1.00 53.03 C ATOM 0 H ALA A 7 -5.257 -20.060 3.500 1.00 21.40 H new ATOM 0 HA ALA A 7 -4.483 -18.411 5.766 1.00 62.10 H new ATOM 0 HB1 ALA A 7 -2.627 -20.008 5.900 1.00 53.03 H new ATOM 0 HB2 ALA A 7 -4.200 -20.836 5.829 1.00 53.03 H new ATOM 0 HB3 ALA A 7 -3.167 -20.763 4.382 1.00 53.03 H new ATOM 95 N ARG A 8 -3.283 -18.060 2.798 1.00 41.42 N ATOM 96 CA ARG A 8 -2.451 -17.247 1.930 1.00 63.05 C ATOM 97 C ARG A 8 -3.310 -16.533 0.900 1.00 72.13 C ATOM 98 O ARG A 8 -4.022 -17.176 0.126 1.00 12.32 O ATOM 99 CB ARG A 8 -1.400 -18.104 1.209 1.00 62.12 C ATOM 100 CG ARG A 8 -0.322 -18.672 2.113 1.00 21.45 C ATOM 101 CD ARG A 8 0.743 -19.401 1.308 1.00 13.20 C ATOM 102 NE ARG A 8 1.863 -19.830 2.147 1.00 31.32 N ATOM 103 CZ ARG A 8 3.128 -19.929 1.726 1.00 64.22 C ATOM 104 NH1 ARG A 8 3.436 -19.664 0.460 1.00 54.43 N ATOM 105 NH2 ARG A 8 4.081 -20.298 2.574 1.00 42.34 N ATOM 0 H ARG A 8 -3.950 -18.648 2.298 1.00 41.42 H new ATOM 0 HA ARG A 8 -1.937 -16.514 2.551 1.00 63.05 H new ATOM 0 HB2 ARG A 8 -1.905 -18.928 0.705 1.00 62.12 H new ATOM 0 HB3 ARG A 8 -0.926 -17.500 0.435 1.00 62.12 H new ATOM 0 HG2 ARG A 8 0.139 -17.866 2.685 1.00 21.45 H new ATOM 0 HG3 ARG A 8 -0.771 -19.357 2.832 1.00 21.45 H new ATOM 0 HD2 ARG A 8 0.299 -20.270 0.822 1.00 13.20 H new ATOM 0 HD3 ARG A 8 1.111 -18.747 0.517 1.00 13.20 H new ATOM 0 HE ARG A 8 1.665 -20.070 3.118 1.00 31.32 H new ATOM 0 HH11 ARG A 8 2.706 -19.384 -0.195 1.00 54.43 H new ATOM 0 HH12 ARG A 8 4.403 -19.741 0.143 1.00 54.43 H new ATOM 0 HH21 ARG A 8 3.847 -20.505 3.545 1.00 42.34 H new ATOM 0 HH22 ARG A 8 5.047 -20.374 2.254 1.00 42.34 H new ATOM 119 N VAL A 9 -3.256 -15.216 0.899 1.00 13.52 N ATOM 120 CA VAL A 9 -4.003 -14.416 -0.066 1.00 32.05 C ATOM 121 C VAL A 9 -3.063 -13.479 -0.798 1.00 31.10 C ATOM 122 O VAL A 9 -1.955 -13.218 -0.328 1.00 5.40 O ATOM 123 CB VAL A 9 -5.128 -13.578 0.601 1.00 73.15 C ATOM 124 CG1 VAL A 9 -6.172 -14.478 1.238 1.00 15.42 C ATOM 125 CG2 VAL A 9 -4.552 -12.611 1.627 1.00 11.02 C ATOM 0 H VAL A 9 -2.701 -14.670 1.557 1.00 13.52 H new ATOM 0 HA VAL A 9 -4.470 -15.113 -0.762 1.00 32.05 H new ATOM 0 HB VAL A 9 -5.616 -12.994 -0.179 1.00 73.15 H new ATOM 0 HG11 VAL A 9 -6.948 -13.866 1.698 1.00 15.42 H new ATOM 0 HG12 VAL A 9 -6.617 -15.116 0.474 1.00 15.42 H new ATOM 0 HG13 VAL A 9 -5.701 -15.099 2.000 1.00 15.42 H new ATOM 0 HG21 VAL A 9 -5.360 -12.036 2.079 1.00 11.02 H new ATOM 0 HG22 VAL A 9 -4.028 -13.171 2.401 1.00 11.02 H new ATOM 0 HG23 VAL A 9 -3.855 -11.932 1.136 1.00 11.02 H new ATOM 135 N ARG A 10 -3.488 -12.985 -1.945 1.00 5.42 N ATOM 136 CA ARG A 10 -2.676 -12.060 -2.697 1.00 40.11 C ATOM 137 C ARG A 10 -3.234 -10.661 -2.601 1.00 65.21 C ATOM 138 O ARG A 10 -4.383 -10.410 -2.973 1.00 12.21 O ATOM 139 CB ARG A 10 -2.552 -12.462 -4.167 1.00 74.25 C ATOM 140 CG ARG A 10 -1.734 -11.460 -4.963 1.00 12.05 C ATOM 141 CD ARG A 10 -1.644 -11.800 -6.433 1.00 5.31 C ATOM 142 NE ARG A 10 -0.926 -10.755 -7.159 1.00 73.23 N ATOM 143 CZ ARG A 10 -1.104 -10.457 -8.448 1.00 11.54 C ATOM 144 NH1 ARG A 10 -1.951 -11.153 -9.193 1.00 52.03 N ATOM 145 NH2 ARG A 10 -0.426 -9.458 -8.991 1.00 55.34 N ATOM 0 H ARG A 10 -4.387 -13.210 -2.371 1.00 5.42 H new ATOM 0 HA ARG A 10 -1.679 -12.087 -2.256 1.00 40.11 H new ATOM 0 HB2 ARG A 10 -2.088 -13.446 -4.236 1.00 74.25 H new ATOM 0 HB3 ARG A 10 -3.547 -12.548 -4.605 1.00 74.25 H new ATOM 0 HG2 ARG A 10 -2.176 -10.470 -4.852 1.00 12.05 H new ATOM 0 HG3 ARG A 10 -0.728 -11.409 -4.546 1.00 12.05 H new ATOM 0 HD2 ARG A 10 -1.134 -12.755 -6.560 1.00 5.31 H new ATOM 0 HD3 ARG A 10 -2.646 -11.916 -6.847 1.00 5.31 H new ATOM 0 HE ARG A 10 -0.236 -10.211 -6.641 1.00 73.23 H new ATOM 0 HH11 ARG A 10 -2.475 -11.926 -8.782 1.00 52.03 H new ATOM 0 HH12 ARG A 10 -2.079 -10.916 -10.177 1.00 52.03 H new ATOM 0 HH21 ARG A 10 0.229 -8.919 -8.425 1.00 55.34 H new ATOM 0 HH22 ARG A 10 -0.559 -9.227 -9.976 1.00 55.34 H new ATOM 159 N CYS A 11 -2.425 -9.754 -2.108 1.00 12.42 N ATOM 160 CA CYS A 11 -2.830 -8.381 -1.973 1.00 12.03 C ATOM 161 C CYS A 11 -1.714 -7.453 -2.434 1.00 10.01 C ATOM 162 O CYS A 11 -0.536 -7.677 -2.126 1.00 54.20 O ATOM 163 CB CYS A 11 -3.188 -8.071 -0.514 1.00 34.33 C ATOM 164 SG CYS A 11 -4.379 -9.216 0.230 1.00 62.44 S ATOM 0 H CYS A 11 -1.475 -9.948 -1.792 1.00 12.42 H new ATOM 0 HA CYS A 11 -3.709 -8.220 -2.597 1.00 12.03 H new ATOM 0 HB2 CYS A 11 -2.274 -8.081 0.080 1.00 34.33 H new ATOM 0 HB3 CYS A 11 -3.593 -7.060 -0.460 1.00 34.33 H new ATOM 0 HG CYS A 11 -5.277 -8.543 0.886 1.00 62.44 H new ATOM 170 N SER A 12 -2.078 -6.435 -3.180 1.00 24.45 N ATOM 171 CA SER A 12 -1.134 -5.436 -3.615 1.00 24.30 C ATOM 172 C SER A 12 -1.157 -4.293 -2.612 1.00 31.34 C ATOM 173 O SER A 12 -2.205 -3.998 -2.030 1.00 44.34 O ATOM 174 CB SER A 12 -1.499 -4.936 -5.015 1.00 13.14 C ATOM 175 OG SER A 12 -1.584 -6.015 -5.935 1.00 2.32 O ATOM 0 H SER A 12 -3.034 -6.278 -3.500 1.00 24.45 H new ATOM 0 HA SER A 12 -0.132 -5.861 -3.666 1.00 24.30 H new ATOM 0 HB2 SER A 12 -2.452 -4.408 -4.979 1.00 13.14 H new ATOM 0 HB3 SER A 12 -0.751 -4.221 -5.356 1.00 13.14 H new ATOM 0 HG SER A 12 -1.820 -5.671 -6.822 1.00 2.32 H new ATOM 181 N HIS A 13 -0.023 -3.657 -2.398 1.00 1.32 N ATOM 182 CA HIS A 13 0.064 -2.624 -1.385 1.00 61.34 C ATOM 183 C HIS A 13 0.910 -1.436 -1.836 1.00 71.43 C ATOM 184 O HIS A 13 2.025 -1.598 -2.331 1.00 73.43 O ATOM 185 CB HIS A 13 0.613 -3.205 -0.058 1.00 40.20 C ATOM 186 CG HIS A 13 2.044 -3.689 -0.121 1.00 22.33 C ATOM 187 ND1 HIS A 13 2.960 -3.468 0.886 1.00 62.35 N ATOM 188 CD2 HIS A 13 2.709 -4.382 -1.076 1.00 15.33 C ATOM 189 CE1 HIS A 13 4.120 -3.996 0.548 1.00 4.52 C ATOM 190 NE2 HIS A 13 3.991 -4.557 -0.637 1.00 11.51 N ATOM 0 H HIS A 13 0.843 -3.834 -2.906 1.00 1.32 H new ATOM 0 HA HIS A 13 -0.948 -2.255 -1.221 1.00 61.34 H new ATOM 0 HB2 HIS A 13 0.536 -2.441 0.716 1.00 40.20 H new ATOM 0 HB3 HIS A 13 -0.023 -4.035 0.249 1.00 40.20 H new ATOM 0 HD1 HIS A 13 2.770 -2.973 1.757 1.00 62.35 H new ATOM 0 HD2 HIS A 13 2.301 -4.732 -2.013 1.00 15.33 H new ATOM 0 HE1 HIS A 13 5.022 -3.973 1.141 1.00 4.52 H new ATOM 199 N LEU A 14 0.368 -0.255 -1.651 1.00 50.13 N ATOM 200 CA LEU A 14 1.074 0.977 -1.950 1.00 74.04 C ATOM 201 C LEU A 14 1.557 1.568 -0.632 1.00 25.11 C ATOM 202 O LEU A 14 0.947 1.318 0.416 1.00 0.24 O ATOM 203 CB LEU A 14 0.128 1.950 -2.692 1.00 21.25 C ATOM 204 CG LEU A 14 0.752 3.227 -3.284 1.00 64.02 C ATOM 205 CD1 LEU A 14 -0.041 3.685 -4.498 1.00 44.33 C ATOM 206 CD2 LEU A 14 0.788 4.340 -2.249 1.00 44.05 C ATOM 0 H LEU A 14 -0.575 -0.117 -1.289 1.00 50.13 H new ATOM 0 HA LEU A 14 1.930 0.793 -2.599 1.00 74.04 H new ATOM 0 HB2 LEU A 14 -0.352 1.402 -3.503 1.00 21.25 H new ATOM 0 HB3 LEU A 14 -0.659 2.249 -2.000 1.00 21.25 H new ATOM 0 HG LEU A 14 1.774 2.996 -3.586 1.00 64.02 H new ATOM 0 HD11 LEU A 14 0.410 4.589 -4.908 1.00 44.33 H new ATOM 0 HD12 LEU A 14 -0.033 2.901 -5.255 1.00 44.33 H new ATOM 0 HD13 LEU A 14 -1.069 3.894 -4.203 1.00 44.33 H new ATOM 0 HD21 LEU A 14 1.233 5.232 -2.690 1.00 44.05 H new ATOM 0 HD22 LEU A 14 -0.227 4.565 -1.921 1.00 44.05 H new ATOM 0 HD23 LEU A 14 1.384 4.022 -1.393 1.00 44.05 H new ATOM 218 N LEU A 15 2.654 2.302 -0.658 1.00 24.14 N ATOM 219 CA LEU A 15 3.198 2.875 0.564 1.00 52.34 C ATOM 220 C LEU A 15 3.759 4.261 0.352 1.00 21.44 C ATOM 221 O LEU A 15 4.713 4.449 -0.402 1.00 62.53 O ATOM 222 CB LEU A 15 4.287 1.975 1.154 1.00 35.01 C ATOM 223 CG LEU A 15 5.104 2.580 2.318 1.00 63.23 C ATOM 224 CD1 LEU A 15 4.203 2.975 3.481 1.00 71.21 C ATOM 225 CD2 LEU A 15 6.176 1.608 2.783 1.00 14.03 C ATOM 0 H LEU A 15 3.184 2.516 -1.503 1.00 24.14 H new ATOM 0 HA LEU A 15 2.365 2.950 1.263 1.00 52.34 H new ATOM 0 HB2 LEU A 15 3.820 1.054 1.503 1.00 35.01 H new ATOM 0 HB3 LEU A 15 4.977 1.700 0.356 1.00 35.01 H new ATOM 0 HG LEU A 15 5.589 3.483 1.948 1.00 63.23 H new ATOM 0 HD11 LEU A 15 4.808 3.397 4.283 1.00 71.21 H new ATOM 0 HD12 LEU A 15 3.479 3.717 3.144 1.00 71.21 H new ATOM 0 HD13 LEU A 15 3.676 2.094 3.849 1.00 71.21 H new ATOM 0 HD21 LEU A 15 6.740 2.053 3.603 1.00 14.03 H new ATOM 0 HD22 LEU A 15 5.707 0.685 3.124 1.00 14.03 H new ATOM 0 HD23 LEU A 15 6.851 1.388 1.956 1.00 14.03 H new ATOM 237 N VAL A 16 3.163 5.215 1.019 1.00 50.31 N ATOM 238 CA VAL A 16 3.661 6.563 1.029 1.00 3.32 C ATOM 239 C VAL A 16 4.206 6.858 2.419 1.00 2.24 C ATOM 240 O VAL A 16 3.443 6.983 3.389 1.00 2.45 O ATOM 241 CB VAL A 16 2.562 7.588 0.653 1.00 0.11 C ATOM 242 CG1 VAL A 16 3.086 9.006 0.763 1.00 25.41 C ATOM 243 CG2 VAL A 16 2.059 7.330 -0.755 1.00 11.34 C ATOM 0 H VAL A 16 2.317 5.077 1.571 1.00 50.31 H new ATOM 0 HA VAL A 16 4.448 6.656 0.281 1.00 3.32 H new ATOM 0 HB VAL A 16 1.735 7.469 1.353 1.00 0.11 H new ATOM 0 HG11 VAL A 16 2.296 9.708 0.494 1.00 25.41 H new ATOM 0 HG12 VAL A 16 3.408 9.197 1.787 1.00 25.41 H new ATOM 0 HG13 VAL A 16 3.931 9.135 0.087 1.00 25.41 H new ATOM 0 HG21 VAL A 16 1.287 8.058 -1.005 1.00 11.34 H new ATOM 0 HG22 VAL A 16 2.886 7.422 -1.459 1.00 11.34 H new ATOM 0 HG23 VAL A 16 1.642 6.325 -0.814 1.00 11.34 H new ATOM 253 N LYS A 17 5.522 6.913 2.524 1.00 24.31 N ATOM 254 CA LYS A 17 6.183 7.139 3.800 1.00 44.41 C ATOM 255 C LYS A 17 6.006 8.576 4.268 1.00 75.23 C ATOM 256 O LYS A 17 5.588 9.450 3.500 1.00 51.14 O ATOM 257 CB LYS A 17 7.672 6.781 3.707 1.00 3.25 C ATOM 258 CG LYS A 17 7.928 5.300 3.460 1.00 42.41 C ATOM 259 CD LYS A 17 9.406 5.008 3.239 1.00 0.23 C ATOM 260 CE LYS A 17 9.630 3.535 2.924 1.00 61.13 C ATOM 261 NZ LYS A 17 11.023 3.252 2.492 1.00 72.21 N ATOM 0 H LYS A 17 6.159 6.803 1.735 1.00 24.31 H new ATOM 0 HA LYS A 17 5.715 6.488 4.538 1.00 44.41 H new ATOM 0 HB2 LYS A 17 8.127 7.359 2.902 1.00 3.25 H new ATOM 0 HB3 LYS A 17 8.167 7.078 4.632 1.00 3.25 H new ATOM 0 HG2 LYS A 17 7.567 4.722 4.311 1.00 42.41 H new ATOM 0 HG3 LYS A 17 7.359 4.974 2.589 1.00 42.41 H new ATOM 0 HD2 LYS A 17 9.783 5.620 2.420 1.00 0.23 H new ATOM 0 HD3 LYS A 17 9.972 5.283 4.129 1.00 0.23 H new ATOM 0 HE2 LYS A 17 9.398 2.939 3.806 1.00 61.13 H new ATOM 0 HE3 LYS A 17 8.940 3.225 2.140 1.00 61.13 H new ATOM 0 HZ1 LYS A 17 11.188 2.225 2.502 1.00 72.21 H new ATOM 0 HZ2 LYS A 17 11.169 3.617 1.529 1.00 72.21 H new ATOM 0 HZ3 LYS A 17 11.689 3.716 3.142 1.00 72.21 H new ATOM 275 N HIS A 18 6.325 8.817 5.522 1.00 74.01 N ATOM 276 CA HIS A 18 6.178 10.135 6.100 1.00 53.31 C ATOM 277 C HIS A 18 7.468 10.584 6.774 1.00 42.41 C ATOM 278 O HIS A 18 8.206 9.763 7.321 1.00 3.34 O ATOM 279 CB HIS A 18 4.985 10.190 7.075 1.00 71.41 C ATOM 280 CG HIS A 18 4.923 9.066 8.083 1.00 31.21 C ATOM 281 ND1 HIS A 18 5.995 8.668 8.852 1.00 73.24 N ATOM 282 CD2 HIS A 18 3.898 8.253 8.431 1.00 25.01 C ATOM 283 CE1 HIS A 18 5.631 7.659 9.624 1.00 11.02 C ATOM 284 NE2 HIS A 18 4.365 7.389 9.390 1.00 0.23 N ATOM 0 H HIS A 18 6.690 8.113 6.163 1.00 74.01 H new ATOM 0 HA HIS A 18 5.968 10.832 5.289 1.00 53.31 H new ATOM 0 HB2 HIS A 18 5.020 11.137 7.613 1.00 71.41 H new ATOM 0 HB3 HIS A 18 4.062 10.187 6.495 1.00 71.41 H new ATOM 0 HD1 HIS A 18 6.925 9.087 8.829 1.00 73.24 H new ATOM 0 HD2 HIS A 18 2.896 8.279 8.028 1.00 25.01 H new ATOM 0 HE1 HIS A 18 6.266 7.143 10.329 1.00 11.02 H new ATOM 293 N SER A 19 7.714 11.888 6.728 1.00 54.40 N ATOM 294 CA SER A 19 8.934 12.505 7.249 1.00 2.33 C ATOM 295 C SER A 19 9.224 12.099 8.695 1.00 42.21 C ATOM 296 O SER A 19 10.380 11.854 9.054 1.00 4.33 O ATOM 297 CB SER A 19 8.836 14.029 7.136 1.00 3.13 C ATOM 298 OG SER A 19 10.103 14.640 7.311 1.00 64.43 O ATOM 0 H SER A 19 7.063 12.560 6.322 1.00 54.40 H new ATOM 0 HA SER A 19 9.765 12.143 6.644 1.00 2.33 H new ATOM 0 HB2 SER A 19 8.431 14.298 6.160 1.00 3.13 H new ATOM 0 HB3 SER A 19 8.141 14.408 7.885 1.00 3.13 H new ATOM 0 HG SER A 19 10.711 14.342 6.602 1.00 64.43 H new ATOM 304 N GLN A 20 8.192 12.037 9.527 1.00 51.41 N ATOM 305 CA GLN A 20 8.382 11.634 10.909 1.00 12.13 C ATOM 306 C GLN A 20 8.512 10.120 10.992 1.00 33.21 C ATOM 307 O GLN A 20 7.543 9.418 11.262 1.00 4.14 O ATOM 308 CB GLN A 20 7.226 12.118 11.798 1.00 41.05 C ATOM 309 CG GLN A 20 6.977 13.623 11.745 1.00 10.13 C ATOM 310 CD GLN A 20 8.190 14.438 12.141 1.00 54.02 C ATOM 311 OE1 GLN A 20 9.020 13.995 12.935 1.00 14.10 O ATOM 312 NE2 GLN A 20 8.296 15.635 11.604 1.00 61.31 N ATOM 0 H GLN A 20 7.229 12.258 9.272 1.00 51.41 H new ATOM 0 HA GLN A 20 9.299 12.096 11.275 1.00 12.13 H new ATOM 0 HB2 GLN A 20 6.314 11.600 11.501 1.00 41.05 H new ATOM 0 HB3 GLN A 20 7.433 11.832 12.829 1.00 41.05 H new ATOM 0 HG2 GLN A 20 6.674 13.900 10.735 1.00 10.13 H new ATOM 0 HG3 GLN A 20 6.147 13.872 12.407 1.00 10.13 H new ATOM 0 HE21 GLN A 20 7.586 15.965 10.950 1.00 61.31 H new ATOM 0 HE22 GLN A 20 9.088 16.232 11.842 1.00 61.31 H new ATOM 321 N SER A 21 9.698 9.623 10.708 1.00 52.21 N ATOM 322 CA SER A 21 9.963 8.200 10.739 1.00 43.25 C ATOM 323 C SER A 21 11.416 7.955 11.124 1.00 54.31 C ATOM 324 O SER A 21 12.221 8.887 11.143 1.00 12.54 O ATOM 325 CB SER A 21 9.663 7.579 9.364 1.00 64.41 C ATOM 326 OG SER A 21 9.784 6.166 9.393 1.00 13.50 O ATOM 0 H SER A 21 10.504 10.193 10.450 1.00 52.21 H new ATOM 0 HA SER A 21 9.317 7.731 11.482 1.00 43.25 H new ATOM 0 HB2 SER A 21 8.655 7.852 9.053 1.00 64.41 H new ATOM 0 HB3 SER A 21 10.348 7.989 8.622 1.00 64.41 H new ATOM 0 HG SER A 21 9.585 5.802 8.505 1.00 13.50 H new ATOM 332 N ARG A 22 11.748 6.705 11.428 1.00 32.01 N ATOM 333 CA ARG A 22 13.116 6.342 11.809 1.00 51.22 C ATOM 334 C ARG A 22 14.079 6.473 10.628 1.00 44.13 C ATOM 335 O ARG A 22 15.297 6.523 10.811 1.00 23.21 O ATOM 336 CB ARG A 22 13.187 4.914 12.393 1.00 74.33 C ATOM 337 CG ARG A 22 12.920 3.781 11.394 1.00 43.31 C ATOM 338 CD ARG A 22 11.451 3.684 11.022 1.00 3.32 C ATOM 339 NE ARG A 22 11.176 2.556 10.135 1.00 62.15 N ATOM 340 CZ ARG A 22 10.095 1.782 10.229 1.00 72.12 C ATOM 341 NH1 ARG A 22 9.200 2.007 11.183 1.00 74.31 N ATOM 342 NH2 ARG A 22 9.912 0.784 9.375 1.00 65.04 N ATOM 0 H ARG A 22 11.092 5.924 11.419 1.00 32.01 H new ATOM 0 HA ARG A 22 13.422 7.044 12.585 1.00 51.22 H new ATOM 0 HB2 ARG A 22 14.175 4.766 12.828 1.00 74.33 H new ATOM 0 HB3 ARG A 22 12.466 4.836 13.206 1.00 74.33 H new ATOM 0 HG2 ARG A 22 13.512 3.945 10.493 1.00 43.31 H new ATOM 0 HG3 ARG A 22 13.248 2.834 11.823 1.00 43.31 H new ATOM 0 HD2 ARG A 22 10.855 3.584 11.929 1.00 3.32 H new ATOM 0 HD3 ARG A 22 11.140 4.609 10.537 1.00 3.32 H new ATOM 0 HE ARG A 22 11.852 2.348 9.400 1.00 62.15 H new ATOM 0 HH11 ARG A 22 9.340 2.772 11.843 1.00 74.31 H new ATOM 0 HH12 ARG A 22 8.372 1.415 11.256 1.00 74.31 H new ATOM 0 HH21 ARG A 22 10.600 0.607 8.643 1.00 65.04 H new ATOM 0 HH22 ARG A 22 9.083 0.194 9.450 1.00 65.04 H new ATOM 356 N ARG A 23 13.534 6.524 9.424 1.00 20.22 N ATOM 357 CA ARG A 23 14.346 6.657 8.232 1.00 44.31 C ATOM 358 C ARG A 23 13.663 7.578 7.222 1.00 74.04 C ATOM 359 O ARG A 23 12.880 7.127 6.387 1.00 34.21 O ATOM 360 CB ARG A 23 14.608 5.283 7.605 1.00 50.05 C ATOM 361 CG ARG A 23 15.652 5.280 6.488 1.00 54.42 C ATOM 362 CD ARG A 23 17.073 5.454 7.028 1.00 62.25 C ATOM 363 NE ARG A 23 17.350 6.820 7.490 1.00 2.11 N ATOM 364 CZ ARG A 23 18.125 7.118 8.540 1.00 74.42 C ATOM 365 NH1 ARG A 23 18.661 6.147 9.277 1.00 24.40 N ATOM 366 NH2 ARG A 23 18.361 8.385 8.853 1.00 14.21 N ATOM 0 H ARG A 23 12.530 6.475 9.249 1.00 20.22 H new ATOM 0 HA ARG A 23 15.302 7.098 8.514 1.00 44.31 H new ATOM 0 HB2 ARG A 23 14.931 4.597 8.388 1.00 50.05 H new ATOM 0 HB3 ARG A 23 13.670 4.895 7.208 1.00 50.05 H new ATOM 0 HG2 ARG A 23 15.587 4.343 5.934 1.00 54.42 H new ATOM 0 HG3 ARG A 23 15.431 6.082 5.784 1.00 54.42 H new ATOM 0 HD2 ARG A 23 17.229 4.759 7.853 1.00 62.25 H new ATOM 0 HD3 ARG A 23 17.787 5.189 6.248 1.00 62.25 H new ATOM 0 HE ARG A 23 16.924 7.592 6.977 1.00 2.11 H new ATOM 0 HH11 ARG A 23 18.482 5.171 9.042 1.00 24.40 H new ATOM 0 HH12 ARG A 23 19.251 6.380 10.076 1.00 24.40 H new ATOM 0 HH21 ARG A 23 17.952 9.133 8.293 1.00 14.21 H new ATOM 0 HH22 ARG A 23 18.952 8.611 9.653 1.00 14.21 H new ATOM 380 N PRO A 24 13.932 8.888 7.305 1.00 4.43 N ATOM 381 CA PRO A 24 13.354 9.877 6.390 1.00 72.10 C ATOM 382 C PRO A 24 14.077 9.910 5.033 1.00 35.14 C ATOM 383 O PRO A 24 14.422 10.982 4.519 1.00 21.35 O ATOM 384 CB PRO A 24 13.552 11.194 7.140 1.00 52.34 C ATOM 385 CG PRO A 24 14.774 10.981 7.964 1.00 74.33 C ATOM 386 CD PRO A 24 14.806 9.516 8.317 1.00 33.52 C ATOM 0 HA PRO A 24 12.314 9.659 6.147 1.00 72.10 H new ATOM 0 HB2 PRO A 24 13.681 12.027 6.449 1.00 52.34 H new ATOM 0 HB3 PRO A 24 12.689 11.428 7.764 1.00 52.34 H new ATOM 0 HG2 PRO A 24 15.669 11.266 7.411 1.00 74.33 H new ATOM 0 HG3 PRO A 24 14.747 11.596 8.864 1.00 74.33 H new ATOM 0 HD2 PRO A 24 15.819 9.116 8.273 1.00 33.52 H new ATOM 0 HD3 PRO A 24 14.437 9.340 9.328 1.00 33.52 H new ATOM 394 N SER A 25 14.283 8.739 4.458 1.00 14.05 N ATOM 395 CA SER A 25 14.940 8.607 3.173 1.00 4.45 C ATOM 396 C SER A 25 14.559 7.275 2.541 1.00 54.41 C ATOM 397 O SER A 25 14.191 6.331 3.247 1.00 35.42 O ATOM 398 CB SER A 25 16.464 8.702 3.336 1.00 35.21 C ATOM 399 OG SER A 25 17.122 8.677 2.079 1.00 34.43 O ATOM 0 H SER A 25 13.998 7.851 4.871 1.00 14.05 H new ATOM 0 HA SER A 25 14.615 9.419 2.523 1.00 4.45 H new ATOM 0 HB2 SER A 25 16.718 9.621 3.863 1.00 35.21 H new ATOM 0 HB3 SER A 25 16.818 7.874 3.950 1.00 35.21 H new ATOM 0 HG SER A 25 17.131 9.579 1.696 1.00 34.43 H new ATOM 405 N SER A 26 14.629 7.206 1.224 1.00 31.22 N ATOM 406 CA SER A 26 14.305 5.996 0.499 1.00 2.33 C ATOM 407 C SER A 26 14.763 6.138 -0.953 1.00 13.22 C ATOM 408 O SER A 26 15.491 7.074 -1.283 1.00 10.41 O ATOM 409 CB SER A 26 12.797 5.726 0.571 1.00 53.13 C ATOM 410 OG SER A 26 12.511 4.364 0.290 1.00 30.43 O ATOM 0 H SER A 26 14.911 7.986 0.630 1.00 31.22 H new ATOM 0 HA SER A 26 14.822 5.149 0.951 1.00 2.33 H new ATOM 0 HB2 SER A 26 12.425 5.983 1.563 1.00 53.13 H new ATOM 0 HB3 SER A 26 12.275 6.365 -0.141 1.00 53.13 H new ATOM 0 HG SER A 26 13.086 3.789 0.837 1.00 30.43 H new ATOM 415 N TRP A 27 14.346 5.223 -1.819 1.00 4.44 N ATOM 416 CA TRP A 27 14.751 5.285 -3.221 1.00 23.31 C ATOM 417 C TRP A 27 13.967 6.364 -3.968 1.00 12.34 C ATOM 418 O TRP A 27 14.458 6.947 -4.935 1.00 52.03 O ATOM 419 CB TRP A 27 14.608 3.914 -3.915 1.00 45.22 C ATOM 420 CG TRP A 27 13.196 3.415 -4.055 1.00 62.44 C ATOM 421 CD1 TRP A 27 12.488 2.679 -3.149 1.00 71.41 C ATOM 422 CD2 TRP A 27 12.330 3.600 -5.185 1.00 14.23 C ATOM 423 NE1 TRP A 27 11.238 2.400 -3.644 1.00 54.54 N ATOM 424 CE2 TRP A 27 11.116 2.956 -4.890 1.00 12.23 C ATOM 425 CE3 TRP A 27 12.464 4.252 -6.415 1.00 11.21 C ATOM 426 CZ2 TRP A 27 10.045 2.943 -5.779 1.00 70.14 C ATOM 427 CZ3 TRP A 27 11.399 4.238 -7.295 1.00 50.10 C ATOM 428 CH2 TRP A 27 10.204 3.588 -6.972 1.00 15.03 C ATOM 0 H TRP A 27 13.737 4.440 -1.583 1.00 4.44 H new ATOM 0 HA TRP A 27 15.807 5.554 -3.247 1.00 23.31 H new ATOM 0 HB2 TRP A 27 15.055 3.978 -4.907 1.00 45.22 H new ATOM 0 HB3 TRP A 27 15.183 3.178 -3.353 1.00 45.22 H new ATOM 0 HD1 TRP A 27 12.857 2.363 -2.185 1.00 71.41 H new ATOM 0 HE1 TRP A 27 10.516 1.865 -3.161 1.00 54.54 H new ATOM 0 HE3 TRP A 27 13.383 4.757 -6.672 1.00 11.21 H new ATOM 0 HZ2 TRP A 27 9.121 2.441 -5.534 1.00 70.14 H new ATOM 0 HZ3 TRP A 27 11.491 4.737 -8.248 1.00 50.10 H new ATOM 0 HH2 TRP A 27 9.389 3.596 -7.681 1.00 15.03 H new ATOM 439 N ARG A 28 12.757 6.632 -3.500 1.00 33.23 N ATOM 440 CA ARG A 28 11.902 7.648 -4.102 1.00 42.42 C ATOM 441 C ARG A 28 12.440 9.046 -3.847 1.00 53.35 C ATOM 442 O ARG A 28 12.431 9.895 -4.736 1.00 34.44 O ATOM 443 CB ARG A 28 10.481 7.530 -3.560 1.00 23.53 C ATOM 444 CG ARG A 28 9.680 6.403 -4.178 1.00 43.45 C ATOM 445 CD ARG A 28 9.071 6.825 -5.501 1.00 73.50 C ATOM 446 NE ARG A 28 7.955 7.758 -5.307 1.00 32.30 N ATOM 447 CZ ARG A 28 7.566 8.677 -6.198 1.00 32.31 C ATOM 448 NH1 ARG A 28 8.207 8.801 -7.357 1.00 64.25 N ATOM 449 NH2 ARG A 28 6.521 9.459 -5.930 1.00 54.10 N ATOM 0 H ARG A 28 12.341 6.157 -2.699 1.00 33.23 H new ATOM 0 HA ARG A 28 11.892 7.480 -5.179 1.00 42.42 H new ATOM 0 HB2 ARG A 28 10.525 7.382 -2.481 1.00 23.53 H new ATOM 0 HB3 ARG A 28 9.958 8.471 -3.731 1.00 23.53 H new ATOM 0 HG2 ARG A 28 10.324 5.537 -4.331 1.00 43.45 H new ATOM 0 HG3 ARG A 28 8.890 6.096 -3.492 1.00 43.45 H new ATOM 0 HD2 ARG A 28 9.835 7.294 -6.121 1.00 73.50 H new ATOM 0 HD3 ARG A 28 8.721 5.944 -6.039 1.00 73.50 H new ATOM 0 HE ARG A 28 7.438 7.702 -4.429 1.00 32.30 H new ATOM 0 HH11 ARG A 28 8.999 8.194 -7.569 1.00 64.25 H new ATOM 0 HH12 ARG A 28 7.907 9.503 -8.033 1.00 64.25 H new ATOM 0 HH21 ARG A 28 6.020 9.356 -5.047 1.00 54.10 H new ATOM 0 HH22 ARG A 28 6.222 10.161 -6.607 1.00 54.10 H new ATOM 463 N GLN A 29 12.905 9.284 -2.634 1.00 53.22 N ATOM 464 CA GLN A 29 13.422 10.589 -2.258 1.00 42.31 C ATOM 465 C GLN A 29 14.636 10.443 -1.361 1.00 63.20 C ATOM 466 O GLN A 29 14.633 9.635 -0.427 1.00 52.04 O ATOM 467 CB GLN A 29 12.344 11.412 -1.541 1.00 50.22 C ATOM 468 CG GLN A 29 11.105 11.684 -2.384 1.00 64.34 C ATOM 469 CD GLN A 29 10.077 12.535 -1.670 1.00 5.33 C ATOM 470 OE1 GLN A 29 10.013 12.419 -0.360 1.00 3.01 O flip ATOM 471 NE2 GLN A 29 9.337 13.285 -2.300 1.00 0.43 N flip ATOM 0 H GLN A 29 12.936 8.588 -1.889 1.00 53.22 H new ATOM 0 HA GLN A 29 13.716 11.110 -3.169 1.00 42.31 H new ATOM 0 HB2 GLN A 29 12.045 10.887 -0.634 1.00 50.22 H new ATOM 0 HB3 GLN A 29 12.775 12.364 -1.231 1.00 50.22 H new ATOM 0 HG2 GLN A 29 11.403 12.182 -3.307 1.00 64.34 H new ATOM 0 HG3 GLN A 29 10.649 10.735 -2.667 1.00 64.34 H new ATOM 0 HE21 GLN A 29 9.418 13.347 -3.315 1.00 0.43 H new ATOM 0 HE22 GLN A 29 8.641 13.846 -1.809 1.00 0.43 H new ATOM 480 N GLU A 30 15.664 11.227 -1.642 1.00 1.23 N ATOM 481 CA GLU A 30 16.889 11.210 -0.856 1.00 60.41 C ATOM 482 C GLU A 30 16.620 11.768 0.534 1.00 33.44 C ATOM 483 O GLU A 30 17.232 11.349 1.517 1.00 73.24 O ATOM 484 CB GLU A 30 17.975 12.022 -1.559 1.00 25.14 C ATOM 485 CG GLU A 30 18.266 11.541 -2.969 1.00 1.04 C ATOM 486 CD GLU A 30 19.270 12.404 -3.691 1.00 12.31 C ATOM 487 OE1 GLU A 30 18.869 13.433 -4.265 1.00 43.34 O ATOM 488 OE2 GLU A 30 20.467 12.052 -3.702 1.00 24.53 O ATOM 0 H GLU A 30 15.674 11.890 -2.417 1.00 1.23 H new ATOM 0 HA GLU A 30 17.236 10.182 -0.758 1.00 60.41 H new ATOM 0 HB2 GLU A 30 17.671 13.068 -1.595 1.00 25.14 H new ATOM 0 HB3 GLU A 30 18.891 11.976 -0.971 1.00 25.14 H new ATOM 0 HG2 GLU A 30 18.638 10.517 -2.928 1.00 1.04 H new ATOM 0 HG3 GLU A 30 17.337 11.520 -3.539 1.00 1.04 H new ATOM 495 N LYS A 31 15.695 12.705 0.602 1.00 74.11 N ATOM 496 CA LYS A 31 15.281 13.292 1.858 1.00 12.44 C ATOM 497 C LYS A 31 13.762 13.424 1.889 1.00 50.14 C ATOM 498 O LYS A 31 13.174 14.175 1.110 1.00 11.12 O ATOM 499 CB LYS A 31 15.961 14.654 2.079 1.00 33.11 C ATOM 500 CG LYS A 31 15.783 15.637 0.932 1.00 35.24 C ATOM 501 CD LYS A 31 16.494 16.947 1.206 1.00 41.33 C ATOM 502 CE LYS A 31 16.231 17.960 0.105 1.00 32.21 C ATOM 503 NZ LYS A 31 14.791 18.318 0.008 1.00 4.14 N ATOM 0 H LYS A 31 15.210 13.080 -0.213 1.00 74.11 H new ATOM 0 HA LYS A 31 15.591 12.637 2.672 1.00 12.44 H new ATOM 0 HB2 LYS A 31 15.564 15.101 2.990 1.00 33.11 H new ATOM 0 HB3 LYS A 31 17.027 14.493 2.241 1.00 33.11 H new ATOM 0 HG2 LYS A 31 16.169 15.198 0.012 1.00 35.24 H new ATOM 0 HG3 LYS A 31 14.721 15.825 0.774 1.00 35.24 H new ATOM 0 HD2 LYS A 31 16.160 17.351 2.162 1.00 41.33 H new ATOM 0 HD3 LYS A 31 17.566 16.770 1.292 1.00 41.33 H new ATOM 0 HE2 LYS A 31 16.816 18.860 0.294 1.00 32.21 H new ATOM 0 HE3 LYS A 31 16.569 17.554 -0.849 1.00 32.21 H new ATOM 0 HZ1 LYS A 31 14.685 19.180 -0.565 1.00 4.14 H new ATOM 0 HZ2 LYS A 31 14.269 17.538 -0.440 1.00 4.14 H new ATOM 0 HZ3 LYS A 31 14.410 18.487 0.961 1.00 4.14 H new ATOM 517 N ILE A 32 13.128 12.673 2.764 1.00 61.25 N ATOM 518 CA ILE A 32 11.685 12.696 2.866 1.00 62.04 C ATOM 519 C ILE A 32 11.223 13.772 3.838 1.00 40.53 C ATOM 520 O ILE A 32 11.296 13.605 5.058 1.00 2.21 O ATOM 521 CB ILE A 32 11.109 11.319 3.293 1.00 51.52 C ATOM 522 CG1 ILE A 32 11.521 10.235 2.287 1.00 63.24 C ATOM 523 CG2 ILE A 32 9.585 11.387 3.408 1.00 0.34 C ATOM 524 CD1 ILE A 32 11.034 8.845 2.646 1.00 41.21 C ATOM 0 H ILE A 32 13.590 12.038 3.415 1.00 61.25 H new ATOM 0 HA ILE A 32 11.304 12.927 1.871 1.00 62.04 H new ATOM 0 HB ILE A 32 11.517 11.061 4.270 1.00 51.52 H new ATOM 0 HG12 ILE A 32 11.135 10.501 1.303 1.00 63.24 H new ATOM 0 HG13 ILE A 32 12.608 10.219 2.210 1.00 63.24 H new ATOM 0 HG21 ILE A 32 9.199 10.413 3.708 1.00 0.34 H new ATOM 0 HG22 ILE A 32 9.309 12.132 4.154 1.00 0.34 H new ATOM 0 HG23 ILE A 32 9.159 11.664 2.444 1.00 0.34 H new ATOM 0 HD11 ILE A 32 11.365 8.136 1.887 1.00 41.21 H new ATOM 0 HD12 ILE A 32 11.441 8.556 3.615 1.00 41.21 H new ATOM 0 HD13 ILE A 32 9.945 8.842 2.694 1.00 41.21 H new ATOM 536 N THR A 33 10.772 14.880 3.290 1.00 62.33 N ATOM 537 CA THR A 33 10.250 15.974 4.080 1.00 41.45 C ATOM 538 C THR A 33 8.719 15.914 4.057 1.00 71.14 C ATOM 539 O THR A 33 8.029 16.689 4.720 1.00 1.45 O ATOM 540 CB THR A 33 10.733 17.325 3.513 1.00 73.42 C ATOM 541 OG1 THR A 33 12.106 17.199 3.095 1.00 41.42 O ATOM 542 CG2 THR A 33 10.634 18.421 4.565 1.00 2.31 C ATOM 0 H THR A 33 10.757 15.048 2.284 1.00 62.33 H new ATOM 0 HA THR A 33 10.609 15.885 5.105 1.00 41.45 H new ATOM 0 HB THR A 33 10.100 17.593 2.667 1.00 73.42 H new ATOM 0 HG1 THR A 33 12.417 18.054 2.732 1.00 41.42 H new ATOM 0 HG21 THR A 33 10.980 19.364 4.142 1.00 2.31 H new ATOM 0 HG22 THR A 33 9.597 18.526 4.885 1.00 2.31 H new ATOM 0 HG23 THR A 33 11.254 18.159 5.423 1.00 2.31 H new ATOM 550 N ARG A 34 8.216 14.966 3.279 1.00 54.13 N ATOM 551 CA ARG A 34 6.791 14.724 3.116 1.00 43.50 C ATOM 552 C ARG A 34 6.143 14.359 4.452 1.00 14.51 C ATOM 553 O ARG A 34 6.309 13.246 4.939 1.00 33.33 O ATOM 554 CB ARG A 34 6.595 13.570 2.130 1.00 33.41 C ATOM 555 CG ARG A 34 5.156 13.314 1.732 1.00 63.34 C ATOM 556 CD ARG A 34 4.985 11.903 1.192 1.00 71.42 C ATOM 557 NE ARG A 34 5.900 11.600 0.082 1.00 33.01 N ATOM 558 CZ ARG A 34 6.508 10.414 -0.091 1.00 54.51 C ATOM 559 NH1 ARG A 34 6.361 9.456 0.804 1.00 30.24 N ATOM 560 NH2 ARG A 34 7.273 10.198 -1.153 1.00 74.55 N ATOM 0 H ARG A 34 8.799 14.332 2.733 1.00 54.13 H new ATOM 0 HA ARG A 34 6.321 15.633 2.740 1.00 43.50 H new ATOM 0 HB2 ARG A 34 7.175 13.776 1.231 1.00 33.41 H new ATOM 0 HB3 ARG A 34 7.003 12.660 2.571 1.00 33.41 H new ATOM 0 HG2 ARG A 34 4.505 13.459 2.594 1.00 63.34 H new ATOM 0 HG3 ARG A 34 4.850 14.037 0.976 1.00 63.34 H new ATOM 0 HD2 ARG A 34 5.151 11.188 1.998 1.00 71.42 H new ATOM 0 HD3 ARG A 34 3.957 11.771 0.855 1.00 71.42 H new ATOM 0 HE ARG A 34 6.085 12.336 -0.600 1.00 33.01 H new ATOM 0 HH11 ARG A 34 5.784 9.614 1.630 1.00 30.24 H new ATOM 0 HH12 ARG A 34 6.824 8.557 0.670 1.00 30.24 H new ATOM 0 HH21 ARG A 34 7.403 10.935 -1.846 1.00 74.55 H new ATOM 0 HH22 ARG A 34 7.731 9.295 -1.277 1.00 74.55 H new ATOM 574 N THR A 35 5.426 15.295 5.047 1.00 21.52 N ATOM 575 CA THR A 35 4.744 15.034 6.307 1.00 54.14 C ATOM 576 C THR A 35 3.524 14.125 6.075 1.00 72.22 C ATOM 577 O THR A 35 3.131 13.887 4.927 1.00 30.55 O ATOM 578 CB THR A 35 4.306 16.353 7.001 1.00 1.23 C ATOM 579 OG1 THR A 35 3.746 16.070 8.285 1.00 20.43 O ATOM 580 CG2 THR A 35 3.285 17.099 6.159 1.00 71.42 C ATOM 0 H THR A 35 5.300 16.239 4.682 1.00 21.52 H new ATOM 0 HA THR A 35 5.447 14.526 6.967 1.00 54.14 H new ATOM 0 HB THR A 35 5.189 16.981 7.117 1.00 1.23 H new ATOM 0 HG1 THR A 35 3.475 16.908 8.715 1.00 20.43 H new ATOM 0 HG21 THR A 35 2.996 18.018 6.668 1.00 71.42 H new ATOM 0 HG22 THR A 35 3.721 17.342 5.190 1.00 71.42 H new ATOM 0 HG23 THR A 35 2.405 16.472 6.014 1.00 71.42 H new ATOM 588 N LYS A 36 2.930 13.628 7.159 1.00 14.21 N ATOM 589 CA LYS A 36 1.783 12.725 7.067 1.00 44.34 C ATOM 590 C LYS A 36 0.611 13.389 6.350 1.00 72.25 C ATOM 591 O LYS A 36 -0.069 12.755 5.543 1.00 44.10 O ATOM 592 CB LYS A 36 1.348 12.256 8.456 1.00 12.23 C ATOM 593 CG LYS A 36 0.194 11.259 8.436 1.00 50.52 C ATOM 594 CD LYS A 36 -0.220 10.847 9.839 1.00 52.12 C ATOM 595 CE LYS A 36 -0.774 12.023 10.632 1.00 22.04 C ATOM 596 NZ LYS A 36 -1.138 11.631 12.011 1.00 5.24 N ATOM 0 H LYS A 36 3.225 13.836 8.113 1.00 14.21 H new ATOM 0 HA LYS A 36 2.095 11.858 6.484 1.00 44.34 H new ATOM 0 HB2 LYS A 36 2.201 11.800 8.959 1.00 12.23 H new ATOM 0 HB3 LYS A 36 1.056 13.124 9.047 1.00 12.23 H new ATOM 0 HG2 LYS A 36 -0.659 11.700 7.920 1.00 50.52 H new ATOM 0 HG3 LYS A 36 0.487 10.375 7.869 1.00 50.52 H new ATOM 0 HD2 LYS A 36 -0.973 10.061 9.780 1.00 52.12 H new ATOM 0 HD3 LYS A 36 0.639 10.427 10.363 1.00 52.12 H new ATOM 0 HE2 LYS A 36 -0.033 12.821 10.664 1.00 22.04 H new ATOM 0 HE3 LYS A 36 -1.651 12.423 10.124 1.00 22.04 H new ATOM 0 HZ1 LYS A 36 -1.511 12.458 12.520 1.00 5.24 H new ATOM 0 HZ2 LYS A 36 -1.864 10.887 11.980 1.00 5.24 H new ATOM 0 HZ3 LYS A 36 -0.295 11.273 12.504 1.00 5.24 H new ATOM 610 N GLU A 37 0.392 14.670 6.635 1.00 54.40 N ATOM 611 CA GLU A 37 -0.694 15.418 6.005 1.00 64.13 C ATOM 612 C GLU A 37 -0.536 15.417 4.490 1.00 15.41 C ATOM 613 O GLU A 37 -1.502 15.223 3.756 1.00 11.44 O ATOM 614 CB GLU A 37 -0.740 16.853 6.531 1.00 3.40 C ATOM 615 CG GLU A 37 -0.973 16.951 8.028 1.00 14.35 C ATOM 616 CD GLU A 37 -1.031 18.381 8.514 1.00 32.32 C ATOM 617 OE1 GLU A 37 0.031 19.028 8.593 1.00 40.21 O ATOM 618 OE2 GLU A 37 -2.137 18.865 8.821 1.00 43.42 O ATOM 0 H GLU A 37 0.950 15.211 7.296 1.00 54.40 H new ATOM 0 HA GLU A 37 -1.634 14.928 6.258 1.00 64.13 H new ATOM 0 HB2 GLU A 37 0.199 17.350 6.286 1.00 3.40 H new ATOM 0 HB3 GLU A 37 -1.532 17.394 6.013 1.00 3.40 H new ATOM 0 HG2 GLU A 37 -1.906 16.447 8.281 1.00 14.35 H new ATOM 0 HG3 GLU A 37 -0.175 16.425 8.552 1.00 14.35 H new ATOM 625 N GLU A 38 0.696 15.612 4.033 1.00 13.24 N ATOM 626 CA GLU A 38 0.995 15.611 2.610 1.00 54.52 C ATOM 627 C GLU A 38 0.896 14.202 2.053 1.00 2.44 C ATOM 628 O GLU A 38 0.405 13.995 0.950 1.00 22.41 O ATOM 629 CB GLU A 38 2.392 16.176 2.354 1.00 23.44 C ATOM 630 CG GLU A 38 2.543 17.635 2.741 1.00 21.45 C ATOM 631 CD GLU A 38 1.631 18.538 1.950 1.00 65.15 C ATOM 632 OE1 GLU A 38 1.983 18.883 0.807 1.00 72.04 O ATOM 633 OE2 GLU A 38 0.560 18.907 2.465 1.00 70.13 O ATOM 0 H GLU A 38 1.505 15.773 4.632 1.00 13.24 H new ATOM 0 HA GLU A 38 0.265 16.244 2.106 1.00 54.52 H new ATOM 0 HB2 GLU A 38 3.120 15.585 2.910 1.00 23.44 H new ATOM 0 HB3 GLU A 38 2.631 16.064 1.296 1.00 23.44 H new ATOM 0 HG2 GLU A 38 2.330 17.750 3.804 1.00 21.45 H new ATOM 0 HG3 GLU A 38 3.577 17.943 2.588 1.00 21.45 H new ATOM 640 N ALA A 39 1.360 13.235 2.835 1.00 31.23 N ATOM 641 CA ALA A 39 1.314 11.834 2.445 1.00 73.11 C ATOM 642 C ALA A 39 -0.118 11.402 2.171 1.00 34.31 C ATOM 643 O ALA A 39 -0.388 10.688 1.205 1.00 35.04 O ATOM 644 CB ALA A 39 1.935 10.964 3.530 1.00 0.34 C ATOM 0 H ALA A 39 1.776 13.400 3.752 1.00 31.23 H new ATOM 0 HA ALA A 39 1.890 11.711 1.528 1.00 73.11 H new ATOM 0 HB1 ALA A 39 1.894 9.918 3.226 1.00 0.34 H new ATOM 0 HB2 ALA A 39 2.974 11.257 3.682 1.00 0.34 H new ATOM 0 HB3 ALA A 39 1.382 11.093 4.461 1.00 0.34 H new ATOM 650 N LEU A 40 -1.032 11.859 3.018 1.00 3.32 N ATOM 651 CA LEU A 40 -2.445 11.553 2.872 1.00 50.23 C ATOM 652 C LEU A 40 -2.983 12.111 1.556 1.00 72.52 C ATOM 653 O LEU A 40 -3.808 11.480 0.893 1.00 73.41 O ATOM 654 CB LEU A 40 -3.234 12.119 4.058 1.00 14.41 C ATOM 655 CG LEU A 40 -4.744 11.860 4.049 1.00 31.33 C ATOM 656 CD1 LEU A 40 -5.037 10.368 3.997 1.00 51.50 C ATOM 657 CD2 LEU A 40 -5.396 12.490 5.270 1.00 20.30 C ATOM 0 H LEU A 40 -0.814 12.449 3.821 1.00 3.32 H new ATOM 0 HA LEU A 40 -2.566 10.470 2.858 1.00 50.23 H new ATOM 0 HB2 LEU A 40 -2.820 11.702 4.976 1.00 14.41 H new ATOM 0 HB3 LEU A 40 -3.071 13.196 4.096 1.00 14.41 H new ATOM 0 HG LEU A 40 -5.165 12.319 3.154 1.00 31.33 H new ATOM 0 HD11 LEU A 40 -6.115 10.209 3.992 1.00 51.50 H new ATOM 0 HD12 LEU A 40 -4.603 9.943 3.092 1.00 51.50 H new ATOM 0 HD13 LEU A 40 -4.603 9.881 4.870 1.00 51.50 H new ATOM 0 HD21 LEU A 40 -6.469 12.298 5.250 1.00 20.30 H new ATOM 0 HD22 LEU A 40 -4.967 12.059 6.175 1.00 20.30 H new ATOM 0 HD23 LEU A 40 -5.220 13.566 5.262 1.00 20.30 H new ATOM 669 N GLU A 41 -2.493 13.287 1.175 1.00 24.14 N ATOM 670 CA GLU A 41 -2.904 13.921 -0.070 1.00 50.53 C ATOM 671 C GLU A 41 -2.503 13.061 -1.254 1.00 43.42 C ATOM 672 O GLU A 41 -3.286 12.871 -2.189 1.00 54.32 O ATOM 673 CB GLU A 41 -2.293 15.315 -0.200 1.00 34.21 C ATOM 674 CG GLU A 41 -2.619 16.237 0.960 1.00 62.12 C ATOM 675 CD GLU A 41 -4.105 16.434 1.154 1.00 33.14 C ATOM 676 OE1 GLU A 41 -4.759 15.555 1.757 1.00 73.43 O ATOM 677 OE2 GLU A 41 -4.631 17.470 0.717 1.00 72.44 O ATOM 0 H GLU A 41 -1.810 13.820 1.713 1.00 24.14 H new ATOM 0 HA GLU A 41 -3.989 14.024 -0.058 1.00 50.53 H new ATOM 0 HB2 GLU A 41 -1.210 15.221 -0.284 1.00 34.21 H new ATOM 0 HB3 GLU A 41 -2.646 15.771 -1.125 1.00 34.21 H new ATOM 0 HG2 GLU A 41 -2.189 15.828 1.874 1.00 62.12 H new ATOM 0 HG3 GLU A 41 -2.148 17.205 0.792 1.00 62.12 H new ATOM 684 N LEU A 42 -1.283 12.535 -1.207 1.00 63.55 N ATOM 685 CA LEU A 42 -0.796 11.644 -2.249 1.00 3.31 C ATOM 686 C LEU A 42 -1.643 10.384 -2.292 1.00 62.34 C ATOM 687 O LEU A 42 -2.096 9.970 -3.358 1.00 1.11 O ATOM 688 CB LEU A 42 0.683 11.278 -2.027 1.00 31.34 C ATOM 689 CG LEU A 42 1.725 12.277 -2.559 1.00 54.32 C ATOM 690 CD1 LEU A 42 1.624 13.617 -1.853 1.00 13.42 C ATOM 691 CD2 LEU A 42 3.126 11.704 -2.416 1.00 74.04 C ATOM 0 H LEU A 42 -0.615 12.712 -0.457 1.00 63.55 H new ATOM 0 HA LEU A 42 -0.874 12.166 -3.203 1.00 3.31 H new ATOM 0 HB2 LEU A 42 0.846 11.152 -0.957 1.00 31.34 H new ATOM 0 HB3 LEU A 42 0.869 10.311 -2.494 1.00 31.34 H new ATOM 0 HG LEU A 42 1.518 12.445 -3.616 1.00 54.32 H new ATOM 0 HD11 LEU A 42 2.375 14.297 -2.255 1.00 13.42 H new ATOM 0 HD12 LEU A 42 0.631 14.038 -2.012 1.00 13.42 H new ATOM 0 HD13 LEU A 42 1.793 13.479 -0.785 1.00 13.42 H new ATOM 0 HD21 LEU A 42 3.853 12.421 -2.796 1.00 74.04 H new ATOM 0 HD22 LEU A 42 3.331 11.502 -1.365 1.00 74.04 H new ATOM 0 HD23 LEU A 42 3.200 10.777 -2.984 1.00 74.04 H new ATOM 703 N ILE A 43 -1.866 9.794 -1.116 1.00 32.53 N ATOM 704 CA ILE A 43 -2.680 8.584 -0.980 1.00 10.44 C ATOM 705 C ILE A 43 -4.044 8.768 -1.636 1.00 12.41 C ATOM 706 O ILE A 43 -4.424 7.998 -2.522 1.00 30.54 O ATOM 707 CB ILE A 43 -2.871 8.206 0.516 1.00 22.42 C ATOM 708 CG1 ILE A 43 -1.546 7.739 1.126 1.00 52.32 C ATOM 709 CG2 ILE A 43 -3.948 7.136 0.689 1.00 51.43 C ATOM 710 CD1 ILE A 43 -1.027 6.435 0.550 1.00 52.13 C ATOM 0 H ILE A 43 -1.489 10.140 -0.234 1.00 32.53 H new ATOM 0 HA ILE A 43 -2.150 7.776 -1.484 1.00 10.44 H new ATOM 0 HB ILE A 43 -3.203 9.100 1.045 1.00 22.42 H new ATOM 0 HG12 ILE A 43 -0.795 8.515 0.976 1.00 52.32 H new ATOM 0 HG13 ILE A 43 -1.674 7.623 2.202 1.00 52.32 H new ATOM 0 HG21 ILE A 43 -4.055 6.896 1.747 1.00 51.43 H new ATOM 0 HG22 ILE A 43 -4.897 7.509 0.303 1.00 51.43 H new ATOM 0 HG23 ILE A 43 -3.661 6.239 0.140 1.00 51.43 H new ATOM 0 HD11 ILE A 43 -0.086 6.173 1.034 1.00 52.13 H new ATOM 0 HD12 ILE A 43 -1.757 5.644 0.724 1.00 52.13 H new ATOM 0 HD13 ILE A 43 -0.865 6.550 -0.522 1.00 52.13 H new ATOM 722 N ASN A 44 -4.760 9.802 -1.214 1.00 43.44 N ATOM 723 CA ASN A 44 -6.083 10.095 -1.757 1.00 3.02 C ATOM 724 C ASN A 44 -6.007 10.321 -3.253 1.00 23.15 C ATOM 725 O ASN A 44 -6.857 9.843 -4.007 1.00 43.22 O ATOM 726 CB ASN A 44 -6.688 11.322 -1.078 1.00 40.31 C ATOM 727 CG ASN A 44 -6.996 11.092 0.386 1.00 21.31 C ATOM 728 OD1 ASN A 44 -7.339 9.981 0.799 1.00 54.43 O ATOM 729 ND2 ASN A 44 -6.869 12.133 1.180 1.00 3.35 N ATOM 0 H ASN A 44 -4.447 10.454 -0.495 1.00 43.44 H new ATOM 0 HA ASN A 44 -6.724 9.235 -1.561 1.00 3.02 H new ATOM 0 HB2 ASN A 44 -5.998 12.160 -1.172 1.00 40.31 H new ATOM 0 HB3 ASN A 44 -7.604 11.604 -1.597 1.00 40.31 H new ATOM 0 HD21 ASN A 44 -7.057 12.039 2.178 1.00 3.35 H new ATOM 0 HD22 ASN A 44 -6.583 13.034 0.798 1.00 3.35 H new ATOM 736 N GLY A 45 -4.969 11.037 -3.680 1.00 10.30 N ATOM 737 CA GLY A 45 -4.773 11.311 -5.086 1.00 72.14 C ATOM 738 C GLY A 45 -4.668 10.044 -5.904 1.00 64.15 C ATOM 739 O GLY A 45 -5.297 9.926 -6.960 1.00 1.22 O ATOM 0 H GLY A 45 -4.257 11.434 -3.067 1.00 10.30 H new ATOM 0 HA2 GLY A 45 -5.603 11.913 -5.456 1.00 72.14 H new ATOM 0 HA3 GLY A 45 -3.867 11.902 -5.217 1.00 72.14 H new ATOM 743 N TYR A 46 -3.888 9.084 -5.412 1.00 43.43 N ATOM 744 CA TYR A 46 -3.721 7.811 -6.101 1.00 12.50 C ATOM 745 C TYR A 46 -5.039 7.058 -6.139 1.00 41.41 C ATOM 746 O TYR A 46 -5.427 6.524 -7.176 1.00 23.22 O ATOM 747 CB TYR A 46 -2.644 6.949 -5.429 1.00 0.42 C ATOM 748 CG TYR A 46 -1.292 7.620 -5.317 1.00 53.30 C ATOM 749 CD1 TYR A 46 -0.786 8.400 -6.351 1.00 23.54 C ATOM 750 CD2 TYR A 46 -0.520 7.471 -4.173 1.00 2.11 C ATOM 751 CE1 TYR A 46 0.446 9.012 -6.244 1.00 25.02 C ATOM 752 CE2 TYR A 46 0.713 8.079 -4.060 1.00 34.34 C ATOM 753 CZ TYR A 46 1.191 8.849 -5.096 1.00 33.23 C ATOM 754 OH TYR A 46 2.420 9.457 -4.984 1.00 72.12 O ATOM 0 H TYR A 46 -3.364 9.165 -4.541 1.00 43.43 H new ATOM 0 HA TYR A 46 -3.398 8.023 -7.120 1.00 12.50 H new ATOM 0 HB2 TYR A 46 -2.985 6.675 -4.431 1.00 0.42 H new ATOM 0 HB3 TYR A 46 -2.532 6.023 -5.993 1.00 0.42 H new ATOM 0 HD1 TYR A 46 -1.367 8.529 -7.252 1.00 23.54 H new ATOM 0 HD2 TYR A 46 -0.891 6.869 -3.357 1.00 2.11 H new ATOM 0 HE1 TYR A 46 0.825 9.616 -7.056 1.00 25.02 H new ATOM 0 HE2 TYR A 46 1.301 7.951 -3.163 1.00 34.34 H new ATOM 0 HH TYR A 46 2.874 9.440 -5.853 1.00 72.12 H new ATOM 764 N ILE A 47 -5.736 7.040 -5.004 1.00 45.31 N ATOM 765 CA ILE A 47 -7.028 6.369 -4.897 1.00 15.33 C ATOM 766 C ILE A 47 -8.015 6.931 -5.921 1.00 53.30 C ATOM 767 O ILE A 47 -8.743 6.180 -6.572 1.00 55.24 O ATOM 768 CB ILE A 47 -7.622 6.499 -3.468 1.00 31.21 C ATOM 769 CG1 ILE A 47 -6.701 5.820 -2.448 1.00 12.10 C ATOM 770 CG2 ILE A 47 -9.023 5.897 -3.407 1.00 12.44 C ATOM 771 CD1 ILE A 47 -7.174 5.941 -1.013 1.00 61.42 C ATOM 0 H ILE A 47 -5.424 7.486 -4.141 1.00 45.31 H new ATOM 0 HA ILE A 47 -6.862 5.312 -5.103 1.00 15.33 H new ATOM 0 HB ILE A 47 -7.697 7.558 -3.221 1.00 31.21 H new ATOM 0 HG12 ILE A 47 -6.611 4.764 -2.702 1.00 12.10 H new ATOM 0 HG13 ILE A 47 -5.704 6.254 -2.529 1.00 12.10 H new ATOM 0 HG21 ILE A 47 -9.419 5.999 -2.397 1.00 12.44 H new ATOM 0 HG22 ILE A 47 -9.675 6.420 -4.107 1.00 12.44 H new ATOM 0 HG23 ILE A 47 -8.977 4.841 -3.674 1.00 12.44 H new ATOM 0 HD11 ILE A 47 -6.469 5.435 -0.354 1.00 61.42 H new ATOM 0 HD12 ILE A 47 -7.237 6.994 -0.738 1.00 61.42 H new ATOM 0 HD13 ILE A 47 -8.157 5.481 -0.914 1.00 61.42 H new ATOM 783 N GLN A 48 -8.014 8.252 -6.076 1.00 43.14 N ATOM 784 CA GLN A 48 -8.893 8.917 -7.041 1.00 33.23 C ATOM 785 C GLN A 48 -8.639 8.400 -8.456 1.00 50.11 C ATOM 786 O GLN A 48 -9.574 8.184 -9.225 1.00 45.04 O ATOM 787 CB GLN A 48 -8.697 10.439 -7.002 1.00 64.50 C ATOM 788 CG GLN A 48 -9.073 11.086 -5.678 1.00 45.23 C ATOM 789 CD GLN A 48 -10.518 10.846 -5.294 1.00 34.41 C ATOM 790 OE1 GLN A 48 -11.384 10.693 -6.155 1.00 5.22 O ATOM 791 NE2 GLN A 48 -10.789 10.812 -4.002 1.00 52.44 N ATOM 0 H GLN A 48 -7.415 8.886 -5.547 1.00 43.14 H new ATOM 0 HA GLN A 48 -9.922 8.688 -6.762 1.00 33.23 H new ATOM 0 HB2 GLN A 48 -7.653 10.665 -7.219 1.00 64.50 H new ATOM 0 HB3 GLN A 48 -9.293 10.890 -7.795 1.00 64.50 H new ATOM 0 HG2 GLN A 48 -8.424 10.698 -4.893 1.00 45.23 H new ATOM 0 HG3 GLN A 48 -8.892 12.159 -5.739 1.00 45.23 H new ATOM 0 HE21 GLN A 48 -10.042 10.943 -3.320 1.00 52.44 H new ATOM 0 HE22 GLN A 48 -11.746 10.654 -3.686 1.00 52.44 H new ATOM 800 N LYS A 49 -7.371 8.177 -8.779 1.00 1.23 N ATOM 801 CA LYS A 49 -6.978 7.689 -10.100 1.00 35.43 C ATOM 802 C LYS A 49 -7.487 6.265 -10.320 1.00 31.35 C ATOM 803 O LYS A 49 -7.890 5.894 -11.429 1.00 22.25 O ATOM 804 CB LYS A 49 -5.452 7.717 -10.231 1.00 3.54 C ATOM 805 CG LYS A 49 -4.834 9.086 -9.977 1.00 42.33 C ATOM 806 CD LYS A 49 -3.313 9.012 -9.886 1.00 53.22 C ATOM 807 CE LYS A 49 -2.691 8.521 -11.181 1.00 11.34 C ATOM 808 NZ LYS A 49 -2.903 9.469 -12.297 1.00 4.05 N ATOM 0 H LYS A 49 -6.590 8.327 -8.140 1.00 1.23 H new ATOM 0 HA LYS A 49 -7.420 8.339 -10.855 1.00 35.43 H new ATOM 0 HB2 LYS A 49 -5.024 7.001 -9.530 1.00 3.54 H new ATOM 0 HB3 LYS A 49 -5.177 7.386 -11.232 1.00 3.54 H new ATOM 0 HG2 LYS A 49 -5.118 9.767 -10.779 1.00 42.33 H new ATOM 0 HG3 LYS A 49 -5.234 9.499 -9.051 1.00 42.33 H new ATOM 0 HD2 LYS A 49 -2.916 9.998 -9.643 1.00 53.22 H new ATOM 0 HD3 LYS A 49 -3.030 8.345 -9.072 1.00 53.22 H new ATOM 0 HE2 LYS A 49 -1.622 8.369 -11.034 1.00 11.34 H new ATOM 0 HE3 LYS A 49 -3.118 7.553 -11.443 1.00 11.34 H new ATOM 0 HZ1 LYS A 49 -2.350 9.162 -13.123 1.00 4.05 H new ATOM 0 HZ2 LYS A 49 -3.913 9.492 -12.546 1.00 4.05 H new ATOM 0 HZ3 LYS A 49 -2.596 10.420 -12.008 1.00 4.05 H new ATOM 822 N ILE A 50 -7.473 5.482 -9.256 1.00 51.11 N ATOM 823 CA ILE A 50 -7.912 4.095 -9.304 1.00 74.45 C ATOM 824 C ILE A 50 -9.433 4.012 -9.405 1.00 54.34 C ATOM 825 O ILE A 50 -9.968 3.256 -10.213 1.00 44.31 O ATOM 826 CB ILE A 50 -7.448 3.330 -8.048 1.00 61.43 C ATOM 827 CG1 ILE A 50 -5.950 3.540 -7.834 1.00 70.04 C ATOM 828 CG2 ILE A 50 -7.765 1.842 -8.180 1.00 4.11 C ATOM 829 CD1 ILE A 50 -5.462 3.099 -6.478 1.00 40.42 C ATOM 0 H ILE A 50 -7.158 5.787 -8.335 1.00 51.11 H new ATOM 0 HA ILE A 50 -7.466 3.640 -10.188 1.00 74.45 H new ATOM 0 HB ILE A 50 -7.985 3.718 -7.182 1.00 61.43 H new ATOM 0 HG12 ILE A 50 -5.403 2.994 -8.602 1.00 70.04 H new ATOM 0 HG13 ILE A 50 -5.718 4.597 -7.967 1.00 70.04 H new ATOM 0 HG21 ILE A 50 -7.431 1.318 -7.285 1.00 4.11 H new ATOM 0 HG22 ILE A 50 -8.840 1.708 -8.298 1.00 4.11 H new ATOM 0 HG23 ILE A 50 -7.251 1.436 -9.051 1.00 4.11 H new ATOM 0 HD11 ILE A 50 -4.390 3.279 -6.401 1.00 40.42 H new ATOM 0 HD12 ILE A 50 -5.982 3.663 -5.703 1.00 40.42 H new ATOM 0 HD13 ILE A 50 -5.661 2.035 -6.348 1.00 40.42 H new ATOM 841 N LYS A 51 -10.121 4.808 -8.591 1.00 22.00 N ATOM 842 CA LYS A 51 -11.586 4.819 -8.579 1.00 61.22 C ATOM 843 C LYS A 51 -12.144 5.308 -9.909 1.00 62.20 C ATOM 844 O LYS A 51 -13.204 4.873 -10.343 1.00 54.03 O ATOM 845 CB LYS A 51 -12.116 5.690 -7.433 1.00 4.31 C ATOM 846 CG LYS A 51 -11.696 5.222 -6.043 1.00 51.11 C ATOM 847 CD LYS A 51 -12.257 3.841 -5.691 1.00 72.35 C ATOM 848 CE LYS A 51 -13.699 3.904 -5.174 1.00 4.34 C ATOM 849 NZ LYS A 51 -14.677 4.313 -6.217 1.00 62.31 N ATOM 0 H LYS A 51 -9.690 5.455 -7.930 1.00 22.00 H new ATOM 0 HA LYS A 51 -11.921 3.794 -8.423 1.00 61.22 H new ATOM 0 HB2 LYS A 51 -11.769 6.713 -7.579 1.00 4.31 H new ATOM 0 HB3 LYS A 51 -13.205 5.712 -7.483 1.00 4.31 H new ATOM 0 HG2 LYS A 51 -10.608 5.193 -5.987 1.00 51.11 H new ATOM 0 HG3 LYS A 51 -12.034 5.947 -5.302 1.00 51.11 H new ATOM 0 HD2 LYS A 51 -12.219 3.202 -6.573 1.00 72.35 H new ATOM 0 HD3 LYS A 51 -11.624 3.378 -4.934 1.00 72.35 H new ATOM 0 HE2 LYS A 51 -13.981 2.926 -4.784 1.00 4.34 H new ATOM 0 HE3 LYS A 51 -13.750 4.606 -4.342 1.00 4.34 H new ATOM 0 HZ1 LYS A 51 -15.591 3.850 -6.037 1.00 62.31 H new ATOM 0 HZ2 LYS A 51 -14.801 5.345 -6.191 1.00 62.31 H new ATOM 0 HZ3 LYS A 51 -14.324 4.030 -7.154 1.00 62.31 H new ATOM 863 N SER A 52 -11.422 6.210 -10.553 1.00 11.14 N ATOM 864 CA SER A 52 -11.838 6.732 -11.844 1.00 52.22 C ATOM 865 C SER A 52 -11.531 5.722 -12.952 1.00 30.43 C ATOM 866 O SER A 52 -12.051 5.824 -14.066 1.00 32.54 O ATOM 867 CB SER A 52 -11.132 8.059 -12.127 1.00 12.24 C ATOM 868 OG SER A 52 -11.334 8.977 -11.062 1.00 1.41 O ATOM 0 H SER A 52 -10.545 6.596 -10.203 1.00 11.14 H new ATOM 0 HA SER A 52 -12.914 6.904 -11.820 1.00 52.22 H new ATOM 0 HB2 SER A 52 -10.065 7.886 -12.266 1.00 12.24 H new ATOM 0 HB3 SER A 52 -11.509 8.485 -13.057 1.00 12.24 H new ATOM 0 HG SER A 52 -10.606 8.890 -10.412 1.00 1.41 H new ATOM 874 N GLY A 53 -10.695 4.737 -12.628 1.00 34.43 N ATOM 875 CA GLY A 53 -10.317 3.729 -13.592 1.00 41.13 C ATOM 876 C GLY A 53 -9.405 4.283 -14.658 1.00 70.42 C ATOM 877 O GLY A 53 -9.516 3.921 -15.829 1.00 41.25 O ATOM 0 H GLY A 53 -10.273 4.623 -11.706 1.00 34.43 H new ATOM 0 HA2 GLY A 53 -9.819 2.906 -13.080 1.00 41.13 H new ATOM 0 HA3 GLY A 53 -11.213 3.319 -14.058 1.00 41.13 H new ATOM 881 N GLU A 54 -8.505 5.164 -14.259 1.00 35.24 N ATOM 882 CA GLU A 54 -7.591 5.789 -15.198 1.00 61.32 C ATOM 883 C GLU A 54 -6.328 4.959 -15.387 1.00 65.24 C ATOM 884 O GLU A 54 -5.959 4.629 -16.515 1.00 43.11 O ATOM 885 CB GLU A 54 -7.231 7.199 -14.738 1.00 55.34 C ATOM 886 CG GLU A 54 -8.415 8.152 -14.695 1.00 14.10 C ATOM 887 CD GLU A 54 -9.087 8.304 -16.042 1.00 22.32 C ATOM 888 OE1 GLU A 54 -8.408 8.706 -17.009 1.00 20.00 O ATOM 889 OE2 GLU A 54 -10.296 8.035 -16.140 1.00 21.43 O ATOM 0 H GLU A 54 -8.388 5.463 -13.291 1.00 35.24 H new ATOM 0 HA GLU A 54 -8.100 5.849 -16.160 1.00 61.32 H new ATOM 0 HB2 GLU A 54 -6.785 7.144 -13.745 1.00 55.34 H new ATOM 0 HB3 GLU A 54 -6.473 7.607 -15.406 1.00 55.34 H new ATOM 0 HG2 GLU A 54 -9.143 7.790 -13.969 1.00 14.10 H new ATOM 0 HG3 GLU A 54 -8.078 9.129 -14.348 1.00 14.10 H new ATOM 896 N GLU A 55 -5.673 4.617 -14.288 1.00 65.11 N ATOM 897 CA GLU A 55 -4.435 3.849 -14.350 1.00 31.22 C ATOM 898 C GLU A 55 -4.457 2.685 -13.366 1.00 30.13 C ATOM 899 O GLU A 55 -5.285 2.648 -12.447 1.00 22.13 O ATOM 900 CB GLU A 55 -3.225 4.754 -14.089 1.00 35.13 C ATOM 901 CG GLU A 55 -3.000 5.794 -15.178 1.00 34.43 C ATOM 902 CD GLU A 55 -1.871 6.747 -14.861 1.00 41.33 C ATOM 903 OE1 GLU A 55 -2.132 7.794 -14.244 1.00 1.24 O ATOM 904 OE2 GLU A 55 -0.722 6.468 -15.245 1.00 62.54 O ATOM 0 H GLU A 55 -5.976 4.857 -13.344 1.00 65.11 H new ATOM 0 HA GLU A 55 -4.348 3.435 -15.355 1.00 31.22 H new ATOM 0 HB2 GLU A 55 -3.360 5.262 -13.134 1.00 35.13 H new ATOM 0 HB3 GLU A 55 -2.332 4.136 -13.997 1.00 35.13 H new ATOM 0 HG2 GLU A 55 -2.786 5.286 -16.119 1.00 34.43 H new ATOM 0 HG3 GLU A 55 -3.918 6.363 -15.324 1.00 34.43 H new ATOM 911 N ASP A 56 -3.550 1.735 -13.569 1.00 74.12 N ATOM 912 CA ASP A 56 -3.459 0.546 -12.721 1.00 24.13 C ATOM 913 C ASP A 56 -2.811 0.861 -11.390 1.00 62.32 C ATOM 914 O ASP A 56 -1.821 1.594 -11.326 1.00 1.13 O ATOM 915 CB ASP A 56 -2.665 -0.571 -13.412 1.00 54.11 C ATOM 916 CG ASP A 56 -3.406 -1.204 -14.565 1.00 33.33 C ATOM 917 OD1 ASP A 56 -4.254 -2.088 -14.321 1.00 31.24 O ATOM 918 OD2 ASP A 56 -3.141 -0.827 -15.725 1.00 0.31 O ATOM 0 H ASP A 56 -2.860 1.764 -14.320 1.00 74.12 H new ATOM 0 HA ASP A 56 -4.480 0.207 -12.547 1.00 24.13 H new ATOM 0 HB2 ASP A 56 -1.721 -0.165 -13.775 1.00 54.11 H new ATOM 0 HB3 ASP A 56 -2.421 -1.340 -12.680 1.00 54.11 H new ATOM 923 N PHE A 57 -3.362 0.288 -10.333 1.00 31.14 N ATOM 924 CA PHE A 57 -2.838 0.472 -8.987 1.00 14.45 C ATOM 925 C PHE A 57 -1.426 -0.085 -8.886 1.00 33.04 C ATOM 926 O PHE A 57 -0.541 0.539 -8.306 1.00 54.55 O ATOM 927 CB PHE A 57 -3.752 -0.219 -7.969 1.00 12.11 C ATOM 928 CG PHE A 57 -3.184 -0.289 -6.576 1.00 10.34 C ATOM 929 CD1 PHE A 57 -3.079 0.847 -5.800 1.00 1.34 C ATOM 930 CD2 PHE A 57 -2.758 -1.496 -6.047 1.00 10.10 C ATOM 931 CE1 PHE A 57 -2.562 0.787 -4.526 1.00 44.31 C ATOM 932 CE2 PHE A 57 -2.239 -1.561 -4.770 1.00 10.11 C ATOM 933 CZ PHE A 57 -2.142 -0.419 -4.010 1.00 4.34 C ATOM 0 H PHE A 57 -4.182 -0.316 -10.382 1.00 31.14 H new ATOM 0 HA PHE A 57 -2.806 1.539 -8.768 1.00 14.45 H new ATOM 0 HB2 PHE A 57 -4.704 0.310 -7.935 1.00 12.11 H new ATOM 0 HB3 PHE A 57 -3.962 -1.231 -8.315 1.00 12.11 H new ATOM 0 HD1 PHE A 57 -3.407 1.796 -6.198 1.00 1.34 H new ATOM 0 HD2 PHE A 57 -2.833 -2.396 -6.640 1.00 10.10 H new ATOM 0 HE1 PHE A 57 -2.486 1.685 -3.931 1.00 44.31 H new ATOM 0 HE2 PHE A 57 -1.909 -2.508 -4.368 1.00 10.11 H new ATOM 0 HZ PHE A 57 -1.737 -0.468 -3.010 1.00 4.34 H new ATOM 943 N GLU A 58 -1.227 -1.253 -9.471 1.00 44.14 N ATOM 944 CA GLU A 58 0.068 -1.918 -9.460 1.00 21.21 C ATOM 945 C GLU A 58 1.125 -1.079 -10.180 1.00 23.03 C ATOM 946 O GLU A 58 2.291 -1.064 -9.791 1.00 14.14 O ATOM 947 CB GLU A 58 -0.058 -3.299 -10.095 1.00 62.10 C ATOM 948 CG GLU A 58 -0.953 -4.241 -9.305 1.00 2.42 C ATOM 949 CD GLU A 58 -1.371 -5.450 -10.102 1.00 61.40 C ATOM 950 OE1 GLU A 58 -2.318 -5.332 -10.902 1.00 71.51 O ATOM 951 OE2 GLU A 58 -0.759 -6.526 -9.928 1.00 41.34 O ATOM 0 H GLU A 58 -1.955 -1.768 -9.966 1.00 44.14 H new ATOM 0 HA GLU A 58 0.393 -2.033 -8.426 1.00 21.21 H new ATOM 0 HB2 GLU A 58 -0.454 -3.193 -11.105 1.00 62.10 H new ATOM 0 HB3 GLU A 58 0.934 -3.742 -10.187 1.00 62.10 H new ATOM 0 HG2 GLU A 58 -0.428 -4.567 -8.407 1.00 2.42 H new ATOM 0 HG3 GLU A 58 -1.842 -3.702 -8.977 1.00 2.42 H new ATOM 958 N SER A 59 0.711 -0.372 -11.218 1.00 33.24 N ATOM 959 CA SER A 59 1.617 0.493 -11.949 1.00 72.01 C ATOM 960 C SER A 59 1.951 1.731 -11.118 1.00 11.41 C ATOM 961 O SER A 59 3.104 2.166 -11.062 1.00 4.43 O ATOM 962 CB SER A 59 0.999 0.898 -13.286 1.00 55.24 C ATOM 963 OG SER A 59 0.705 -0.245 -14.074 1.00 51.01 O ATOM 0 H SER A 59 -0.246 -0.381 -11.572 1.00 33.24 H new ATOM 0 HA SER A 59 2.540 -0.052 -12.146 1.00 72.01 H new ATOM 0 HB2 SER A 59 0.087 1.469 -13.112 1.00 55.24 H new ATOM 0 HB3 SER A 59 1.685 1.550 -13.826 1.00 55.24 H new ATOM 0 HG SER A 59 0.309 0.037 -14.925 1.00 51.01 H new ATOM 969 N LEU A 60 0.937 2.282 -10.458 1.00 11.43 N ATOM 970 CA LEU A 60 1.118 3.454 -9.615 1.00 63.25 C ATOM 971 C LEU A 60 2.000 3.122 -8.417 1.00 3.21 C ATOM 972 O LEU A 60 2.975 3.817 -8.139 1.00 20.14 O ATOM 973 CB LEU A 60 -0.239 3.988 -9.133 1.00 22.01 C ATOM 974 CG LEU A 60 -1.226 4.405 -10.229 1.00 15.01 C ATOM 975 CD1 LEU A 60 -2.536 4.874 -9.617 1.00 32.43 C ATOM 976 CD2 LEU A 60 -0.627 5.492 -11.108 1.00 74.11 C ATOM 0 H LEU A 60 -0.021 1.933 -10.492 1.00 11.43 H new ATOM 0 HA LEU A 60 1.608 4.225 -10.209 1.00 63.25 H new ATOM 0 HB2 LEU A 60 -0.711 3.221 -8.519 1.00 22.01 H new ATOM 0 HB3 LEU A 60 -0.060 4.848 -8.487 1.00 22.01 H new ATOM 0 HG LEU A 60 -1.430 3.535 -10.854 1.00 15.01 H new ATOM 0 HD11 LEU A 60 -3.224 5.166 -10.410 1.00 32.43 H new ATOM 0 HD12 LEU A 60 -2.976 4.064 -9.035 1.00 32.43 H new ATOM 0 HD13 LEU A 60 -2.348 5.728 -8.967 1.00 32.43 H new ATOM 0 HD21 LEU A 60 -1.344 5.773 -11.879 1.00 74.11 H new ATOM 0 HD22 LEU A 60 -0.390 6.364 -10.498 1.00 74.11 H new ATOM 0 HD23 LEU A 60 0.283 5.120 -11.578 1.00 74.11 H new ATOM 988 N ALA A 61 1.668 2.039 -7.730 1.00 52.40 N ATOM 989 CA ALA A 61 2.407 1.609 -6.549 1.00 13.33 C ATOM 990 C ALA A 61 3.864 1.307 -6.880 1.00 44.43 C ATOM 991 O ALA A 61 4.743 1.471 -6.042 1.00 0.54 O ATOM 992 CB ALA A 61 1.744 0.388 -5.927 1.00 24.54 C ATOM 0 H ALA A 61 0.883 1.435 -7.973 1.00 52.40 H new ATOM 0 HA ALA A 61 2.391 2.428 -5.830 1.00 13.33 H new ATOM 0 HB1 ALA A 61 2.306 0.078 -5.046 1.00 24.54 H new ATOM 0 HB2 ALA A 61 0.723 0.637 -5.637 1.00 24.54 H new ATOM 0 HB3 ALA A 61 1.727 -0.426 -6.652 1.00 24.54 H new ATOM 998 N SER A 62 4.108 0.889 -8.105 1.00 62.25 N ATOM 999 CA SER A 62 5.442 0.537 -8.548 1.00 14.32 C ATOM 1000 C SER A 62 6.333 1.778 -8.696 1.00 32.41 C ATOM 1001 O SER A 62 7.560 1.696 -8.561 1.00 2.13 O ATOM 1002 CB SER A 62 5.355 -0.196 -9.889 1.00 44.12 C ATOM 1003 OG SER A 62 6.578 -0.836 -10.212 1.00 72.22 O ATOM 0 H SER A 62 3.389 0.784 -8.821 1.00 62.25 H new ATOM 0 HA SER A 62 5.891 -0.110 -7.794 1.00 14.32 H new ATOM 0 HB2 SER A 62 4.556 -0.936 -9.849 1.00 44.12 H new ATOM 0 HB3 SER A 62 5.095 0.512 -10.676 1.00 44.12 H new ATOM 0 HG SER A 62 6.948 -1.258 -9.409 1.00 72.22 H new ATOM 1009 N GLN A 63 5.720 2.921 -8.961 1.00 10.31 N ATOM 1010 CA GLN A 63 6.478 4.135 -9.223 1.00 12.10 C ATOM 1011 C GLN A 63 6.350 5.174 -8.114 1.00 12.20 C ATOM 1012 O GLN A 63 7.253 5.972 -7.913 1.00 65.43 O ATOM 1013 CB GLN A 63 6.035 4.750 -10.549 1.00 2.24 C ATOM 1014 CG GLN A 63 6.238 3.841 -11.750 1.00 42.32 C ATOM 1015 CD GLN A 63 5.769 4.469 -13.048 1.00 35.53 C ATOM 1016 OE1 GLN A 63 4.758 5.315 -12.970 1.00 3.15 O flip ATOM 1017 NE2 GLN A 63 6.311 4.189 -14.117 1.00 34.31 N flip ATOM 0 H GLN A 63 4.707 3.034 -9.000 1.00 10.31 H new ATOM 0 HA GLN A 63 7.527 3.842 -9.269 1.00 12.10 H new ATOM 0 HB2 GLN A 63 4.980 5.014 -10.481 1.00 2.24 H new ATOM 0 HB3 GLN A 63 6.586 5.677 -10.710 1.00 2.24 H new ATOM 0 HG2 GLN A 63 7.295 3.589 -11.835 1.00 42.32 H new ATOM 0 HG3 GLN A 63 5.700 2.907 -11.588 1.00 42.32 H new ATOM 0 HE21 GLN A 63 7.090 3.531 -14.137 1.00 34.31 H new ATOM 0 HE22 GLN A 63 5.981 4.615 -14.983 1.00 34.31 H new ATOM 1026 N PHE A 64 5.239 5.164 -7.400 1.00 13.13 N ATOM 1027 CA PHE A 64 4.984 6.196 -6.399 1.00 24.21 C ATOM 1028 C PHE A 64 5.296 5.760 -4.964 1.00 51.04 C ATOM 1029 O PHE A 64 5.562 6.605 -4.109 1.00 52.50 O ATOM 1030 CB PHE A 64 3.546 6.694 -6.506 1.00 61.02 C ATOM 1031 CG PHE A 64 3.255 7.406 -7.800 1.00 32.32 C ATOM 1032 CD1 PHE A 64 3.684 8.707 -7.998 1.00 23.13 C ATOM 1033 CD2 PHE A 64 2.559 6.775 -8.817 1.00 21.41 C ATOM 1034 CE1 PHE A 64 3.423 9.364 -9.183 1.00 44.32 C ATOM 1035 CE2 PHE A 64 2.295 7.427 -10.005 1.00 61.34 C ATOM 1036 CZ PHE A 64 2.728 8.723 -10.188 1.00 74.20 C ATOM 0 H PHE A 64 4.503 4.463 -7.489 1.00 13.13 H new ATOM 0 HA PHE A 64 5.675 7.010 -6.621 1.00 24.21 H new ATOM 0 HB2 PHE A 64 2.867 5.847 -6.405 1.00 61.02 H new ATOM 0 HB3 PHE A 64 3.340 7.368 -5.675 1.00 61.02 H new ATOM 0 HD1 PHE A 64 4.229 9.214 -7.216 1.00 23.13 H new ATOM 0 HD2 PHE A 64 2.218 5.760 -8.679 1.00 21.41 H new ATOM 0 HE1 PHE A 64 3.763 10.380 -9.324 1.00 44.32 H new ATOM 0 HE2 PHE A 64 1.750 6.923 -10.789 1.00 61.34 H new ATOM 0 HZ PHE A 64 2.524 9.236 -11.116 1.00 74.20 H new ATOM 1046 N SER A 65 5.273 4.465 -4.695 1.00 71.11 N ATOM 1047 CA SER A 65 5.541 3.985 -3.341 1.00 42.54 C ATOM 1048 C SER A 65 7.017 4.085 -3.004 1.00 31.30 C ATOM 1049 O SER A 65 7.869 3.827 -3.846 1.00 52.02 O ATOM 1050 CB SER A 65 5.097 2.536 -3.174 1.00 34.35 C ATOM 1051 OG SER A 65 3.732 2.374 -3.473 1.00 24.43 O ATOM 0 H SER A 65 5.076 3.735 -5.380 1.00 71.11 H new ATOM 0 HA SER A 65 4.972 4.620 -2.662 1.00 42.54 H new ATOM 0 HB2 SER A 65 5.691 1.896 -3.826 1.00 34.35 H new ATOM 0 HB3 SER A 65 5.287 2.213 -2.150 1.00 34.35 H new ATOM 0 HG SER A 65 3.600 1.531 -3.955 1.00 24.43 H new ATOM 1057 N ASP A 66 7.314 4.448 -1.763 1.00 30.04 N ATOM 1058 CA ASP A 66 8.698 4.501 -1.295 1.00 22.22 C ATOM 1059 C ASP A 66 9.108 3.113 -0.811 1.00 42.32 C ATOM 1060 O ASP A 66 10.169 2.929 -0.226 1.00 65.01 O ATOM 1061 CB ASP A 66 8.863 5.496 -0.129 1.00 61.34 C ATOM 1062 CG ASP A 66 8.152 6.822 -0.323 1.00 63.23 C ATOM 1063 OD1 ASP A 66 8.694 7.713 -1.012 1.00 43.21 O ATOM 1064 OD2 ASP A 66 7.057 6.988 0.247 1.00 75.42 O ATOM 0 H ASP A 66 6.620 4.710 -1.063 1.00 30.04 H new ATOM 0 HA ASP A 66 9.325 4.831 -2.123 1.00 22.22 H new ATOM 0 HB2 ASP A 66 8.492 5.030 0.784 1.00 61.34 H new ATOM 0 HB3 ASP A 66 9.926 5.687 0.020 1.00 61.34 H new ATOM 1069 N CYS A 67 8.249 2.144 -1.061 1.00 11.14 N ATOM 1070 CA CYS A 67 8.463 0.782 -0.613 1.00 23.02 C ATOM 1071 C CYS A 67 9.401 0.034 -1.557 1.00 22.23 C ATOM 1072 O CYS A 67 9.432 0.304 -2.758 1.00 73.22 O ATOM 1073 CB CYS A 67 7.115 0.061 -0.523 1.00 70.45 C ATOM 1074 SG CYS A 67 7.184 -1.610 0.148 1.00 2.24 S ATOM 0 H CYS A 67 7.382 2.279 -1.581 1.00 11.14 H new ATOM 0 HA CYS A 67 8.931 0.806 0.371 1.00 23.02 H new ATOM 0 HB2 CYS A 67 6.443 0.656 0.095 1.00 70.45 H new ATOM 0 HB3 CYS A 67 6.677 0.017 -1.520 1.00 70.45 H new ATOM 0 HG CYS A 67 5.977 -2.037 0.375 1.00 2.24 H new ATOM 1080 N SER A 68 10.159 -0.905 -1.011 1.00 24.53 N ATOM 1081 CA SER A 68 11.069 -1.712 -1.806 1.00 44.41 C ATOM 1082 C SER A 68 10.279 -2.772 -2.580 1.00 34.20 C ATOM 1083 O SER A 68 10.743 -3.310 -3.587 1.00 71.20 O ATOM 1084 CB SER A 68 12.100 -2.380 -0.897 1.00 1.35 C ATOM 1085 OG SER A 68 12.673 -1.436 0.003 1.00 2.55 O ATOM 0 H SER A 68 10.161 -1.127 -0.015 1.00 24.53 H new ATOM 0 HA SER A 68 11.591 -1.071 -2.517 1.00 44.41 H new ATOM 0 HB2 SER A 68 11.627 -3.184 -0.334 1.00 1.35 H new ATOM 0 HB3 SER A 68 12.885 -2.834 -1.503 1.00 1.35 H new ATOM 0 HG SER A 68 13.328 -1.886 0.576 1.00 2.55 H new ATOM 1091 N SER A 69 9.072 -3.048 -2.103 1.00 74.42 N ATOM 1092 CA SER A 69 8.183 -4.020 -2.724 1.00 24.03 C ATOM 1093 C SER A 69 7.630 -3.476 -4.052 1.00 4.33 C ATOM 1094 O SER A 69 7.030 -4.212 -4.841 1.00 54.51 O ATOM 1095 CB SER A 69 7.041 -4.362 -1.753 1.00 5.03 C ATOM 1096 OG SER A 69 6.134 -5.313 -2.294 1.00 43.20 O ATOM 0 H SER A 69 8.682 -2.603 -1.273 1.00 74.42 H new ATOM 0 HA SER A 69 8.743 -4.929 -2.945 1.00 24.03 H new ATOM 0 HB2 SER A 69 7.461 -4.752 -0.826 1.00 5.03 H new ATOM 0 HB3 SER A 69 6.499 -3.451 -1.499 1.00 5.03 H new ATOM 0 HG SER A 69 5.255 -5.201 -1.876 1.00 43.20 H new ATOM 1102 N ALA A 70 7.862 -2.185 -4.299 1.00 14.44 N ATOM 1103 CA ALA A 70 7.399 -1.530 -5.518 1.00 33.22 C ATOM 1104 C ALA A 70 8.043 -2.148 -6.761 1.00 75.11 C ATOM 1105 O ALA A 70 7.534 -1.999 -7.875 1.00 31.31 O ATOM 1106 CB ALA A 70 7.685 -0.039 -5.452 1.00 31.24 C ATOM 0 H ALA A 70 8.372 -1.571 -3.664 1.00 14.44 H new ATOM 0 HA ALA A 70 6.322 -1.679 -5.595 1.00 33.22 H new ATOM 0 HB1 ALA A 70 7.335 0.439 -6.367 1.00 31.24 H new ATOM 0 HB2 ALA A 70 7.167 0.393 -4.596 1.00 31.24 H new ATOM 0 HB3 ALA A 70 8.758 0.121 -5.346 1.00 31.24 H new ATOM 1112 N LYS A 71 9.161 -2.852 -6.561 1.00 51.23 N ATOM 1113 CA LYS A 71 9.859 -3.521 -7.658 1.00 52.14 C ATOM 1114 C LYS A 71 8.986 -4.615 -8.263 1.00 32.11 C ATOM 1115 O LYS A 71 9.076 -4.912 -9.452 1.00 5.30 O ATOM 1116 CB LYS A 71 11.182 -4.119 -7.175 1.00 53.12 C ATOM 1117 CG LYS A 71 12.159 -3.096 -6.625 1.00 5.44 C ATOM 1118 CD LYS A 71 13.479 -3.743 -6.244 1.00 30.44 C ATOM 1119 CE LYS A 71 14.443 -2.733 -5.636 1.00 44.43 C ATOM 1120 NZ LYS A 71 14.755 -1.619 -6.568 1.00 75.22 N ATOM 0 H LYS A 71 9.601 -2.972 -5.649 1.00 51.23 H new ATOM 0 HA LYS A 71 10.071 -2.776 -8.424 1.00 52.14 H new ATOM 0 HB2 LYS A 71 10.974 -4.859 -6.402 1.00 53.12 H new ATOM 0 HB3 LYS A 71 11.654 -4.648 -8.003 1.00 53.12 H new ATOM 0 HG2 LYS A 71 12.334 -2.320 -7.370 1.00 5.44 H new ATOM 0 HG3 LYS A 71 11.725 -2.608 -5.752 1.00 5.44 H new ATOM 0 HD2 LYS A 71 13.298 -4.548 -5.532 1.00 30.44 H new ATOM 0 HD3 LYS A 71 13.932 -4.194 -7.127 1.00 30.44 H new ATOM 0 HE2 LYS A 71 14.012 -2.328 -4.721 1.00 44.43 H new ATOM 0 HE3 LYS A 71 15.367 -3.239 -5.356 1.00 44.43 H new ATOM 0 HZ1 LYS A 71 15.548 -1.062 -6.190 1.00 75.22 H new ATOM 0 HZ2 LYS A 71 15.015 -2.006 -7.497 1.00 75.22 H new ATOM 0 HZ3 LYS A 71 13.920 -1.007 -6.670 1.00 75.22 H new ATOM 1134 N ALA A 72 8.132 -5.201 -7.437 1.00 2.31 N ATOM 1135 CA ALA A 72 7.217 -6.240 -7.883 1.00 55.25 C ATOM 1136 C ALA A 72 5.846 -5.636 -8.153 1.00 61.03 C ATOM 1137 O ALA A 72 4.819 -6.301 -8.015 1.00 1.35 O ATOM 1138 CB ALA A 72 7.120 -7.334 -6.832 1.00 45.32 C ATOM 0 H ALA A 72 8.054 -4.972 -6.446 1.00 2.31 H new ATOM 0 HA ALA A 72 7.594 -6.680 -8.806 1.00 55.25 H new ATOM 0 HB1 ALA A 72 6.433 -8.108 -7.174 1.00 45.32 H new ATOM 0 HB2 ALA A 72 8.105 -7.770 -6.669 1.00 45.32 H new ATOM 0 HB3 ALA A 72 6.752 -6.910 -5.898 1.00 45.32 H new ATOM 1144 N ARG A 73 5.851 -4.355 -8.539 1.00 24.33 N ATOM 1145 CA ARG A 73 4.630 -3.598 -8.827 1.00 43.12 C ATOM 1146 C ARG A 73 3.800 -3.386 -7.566 1.00 13.13 C ATOM 1147 O ARG A 73 2.601 -3.136 -7.633 1.00 11.14 O ATOM 1148 CB ARG A 73 3.788 -4.276 -9.921 1.00 53.53 C ATOM 1149 CG ARG A 73 4.439 -4.285 -11.296 1.00 51.13 C ATOM 1150 CD ARG A 73 3.539 -4.953 -12.327 1.00 32.41 C ATOM 1151 NE ARG A 73 4.137 -4.952 -13.665 1.00 72.55 N ATOM 1152 CZ ARG A 73 3.627 -5.592 -14.726 1.00 31.11 C ATOM 1153 NH1 ARG A 73 2.507 -6.295 -14.613 1.00 61.02 N ATOM 1154 NH2 ARG A 73 4.239 -5.522 -15.899 1.00 72.53 N ATOM 0 H ARG A 73 6.706 -3.813 -8.661 1.00 24.33 H new ATOM 0 HA ARG A 73 4.939 -2.621 -9.200 1.00 43.12 H new ATOM 0 HB2 ARG A 73 3.584 -5.304 -9.622 1.00 53.53 H new ATOM 0 HB3 ARG A 73 2.826 -3.768 -9.990 1.00 53.53 H new ATOM 0 HG2 ARG A 73 4.655 -3.262 -11.606 1.00 51.13 H new ATOM 0 HG3 ARG A 73 5.392 -4.811 -11.246 1.00 51.13 H new ATOM 0 HD2 ARG A 73 3.338 -5.980 -12.021 1.00 32.41 H new ATOM 0 HD3 ARG A 73 2.580 -4.436 -12.359 1.00 32.41 H new ATOM 0 HE ARG A 73 5.002 -4.428 -13.798 1.00 72.55 H new ATOM 0 HH11 ARG A 73 2.028 -6.351 -13.714 1.00 61.02 H new ATOM 0 HH12 ARG A 73 2.125 -6.779 -15.425 1.00 61.02 H new ATOM 0 HH21 ARG A 73 5.098 -4.981 -15.994 1.00 72.53 H new ATOM 0 HH22 ARG A 73 3.851 -6.009 -16.707 1.00 72.53 H new ATOM 1168 N GLY A 74 4.453 -3.475 -6.416 1.00 33.41 N ATOM 1169 CA GLY A 74 3.764 -3.285 -5.160 1.00 2.44 C ATOM 1170 C GLY A 74 2.925 -4.485 -4.786 1.00 44.13 C ATOM 1171 O GLY A 74 2.015 -4.386 -3.972 1.00 43.44 O ATOM 0 H GLY A 74 5.450 -3.676 -6.332 1.00 33.41 H new ATOM 0 HA2 GLY A 74 4.493 -3.093 -4.372 1.00 2.44 H new ATOM 0 HA3 GLY A 74 3.126 -2.404 -5.226 1.00 2.44 H new ATOM 1175 N ASP A 75 3.231 -5.616 -5.381 1.00 24.52 N ATOM 1176 CA ASP A 75 2.506 -6.843 -5.111 1.00 32.21 C ATOM 1177 C ASP A 75 3.331 -7.772 -4.238 1.00 3.51 C ATOM 1178 O ASP A 75 4.551 -7.856 -4.387 1.00 72.52 O ATOM 1179 CB ASP A 75 2.126 -7.534 -6.420 1.00 5.31 C ATOM 1180 CG ASP A 75 1.603 -8.940 -6.218 1.00 74.02 C ATOM 1181 OD1 ASP A 75 0.547 -9.106 -5.586 1.00 12.23 O ATOM 1182 OD2 ASP A 75 2.243 -9.889 -6.712 1.00 35.42 O ATOM 0 H ASP A 75 3.984 -5.714 -6.062 1.00 24.52 H new ATOM 0 HA ASP A 75 1.592 -6.592 -4.573 1.00 32.21 H new ATOM 0 HB2 ASP A 75 1.368 -6.940 -6.931 1.00 5.31 H new ATOM 0 HB3 ASP A 75 2.998 -7.567 -7.073 1.00 5.31 H new ATOM 1187 N LEU A 76 2.668 -8.449 -3.318 1.00 74.12 N ATOM 1188 CA LEU A 76 3.338 -9.376 -2.418 1.00 13.22 C ATOM 1189 C LEU A 76 3.043 -10.812 -2.802 1.00 23.44 C ATOM 1190 O LEU A 76 3.646 -11.744 -2.264 1.00 23.15 O ATOM 1191 CB LEU A 76 2.892 -9.139 -0.972 1.00 50.22 C ATOM 1192 CG LEU A 76 3.301 -7.808 -0.348 1.00 44.54 C ATOM 1193 CD1 LEU A 76 2.691 -7.664 1.036 1.00 52.33 C ATOM 1194 CD2 LEU A 76 4.816 -7.701 -0.273 1.00 41.45 C ATOM 0 H LEU A 76 1.661 -8.375 -3.173 1.00 74.12 H new ATOM 0 HA LEU A 76 4.410 -9.199 -2.500 1.00 13.22 H new ATOM 0 HB2 LEU A 76 1.805 -9.216 -0.932 1.00 50.22 H new ATOM 0 HB3 LEU A 76 3.291 -9.943 -0.355 1.00 50.22 H new ATOM 0 HG LEU A 76 2.928 -7.000 -0.978 1.00 44.54 H new ATOM 0 HD11 LEU A 76 2.992 -6.710 1.469 1.00 52.33 H new ATOM 0 HD12 LEU A 76 1.604 -7.702 0.960 1.00 52.33 H new ATOM 0 HD13 LEU A 76 3.039 -8.477 1.673 1.00 52.33 H new ATOM 0 HD21 LEU A 76 5.092 -6.746 0.174 1.00 41.45 H new ATOM 0 HD22 LEU A 76 5.208 -8.514 0.337 1.00 41.45 H new ATOM 0 HD23 LEU A 76 5.235 -7.766 -1.277 1.00 41.45 H new ATOM 1206 N GLY A 77 2.124 -10.992 -3.736 1.00 4.33 N ATOM 1207 CA GLY A 77 1.722 -12.323 -4.111 1.00 60.51 C ATOM 1208 C GLY A 77 0.898 -12.955 -3.017 1.00 63.33 C ATOM 1209 O GLY A 77 0.314 -12.245 -2.194 1.00 50.53 O ATOM 0 H GLY A 77 1.652 -10.240 -4.238 1.00 4.33 H new ATOM 0 HA2 GLY A 77 1.145 -12.288 -5.035 1.00 60.51 H new ATOM 0 HA3 GLY A 77 2.603 -12.933 -4.309 1.00 60.51 H new ATOM 1213 N ALA A 78 0.841 -14.265 -2.993 1.00 21.45 N ATOM 1214 CA ALA A 78 0.103 -14.958 -1.961 1.00 64.54 C ATOM 1215 C ALA A 78 0.958 -15.089 -0.712 1.00 65.03 C ATOM 1216 O ALA A 78 1.943 -15.828 -0.696 1.00 62.34 O ATOM 1217 CB ALA A 78 -0.346 -16.325 -2.453 1.00 61.31 C ATOM 0 H ALA A 78 1.295 -14.873 -3.674 1.00 21.45 H new ATOM 0 HA ALA A 78 -0.787 -14.379 -1.715 1.00 64.54 H new ATOM 0 HB1 ALA A 78 -0.900 -16.832 -1.663 1.00 61.31 H new ATOM 0 HB2 ALA A 78 -0.987 -16.205 -3.326 1.00 61.31 H new ATOM 0 HB3 ALA A 78 0.527 -16.919 -2.723 1.00 61.31 H new ATOM 1223 N PHE A 79 0.588 -14.366 0.323 1.00 2.14 N ATOM 1224 CA PHE A 79 1.332 -14.384 1.567 1.00 73.34 C ATOM 1225 C PHE A 79 0.504 -14.988 2.687 1.00 64.04 C ATOM 1226 O PHE A 79 -0.727 -14.923 2.667 1.00 71.23 O ATOM 1227 CB PHE A 79 1.815 -12.969 1.943 1.00 1.42 C ATOM 1228 CG PHE A 79 0.724 -11.930 2.004 1.00 44.44 C ATOM 1229 CD1 PHE A 79 0.006 -11.719 3.171 1.00 22.31 C ATOM 1230 CD2 PHE A 79 0.424 -11.161 0.893 1.00 11.34 C ATOM 1231 CE1 PHE A 79 -0.990 -10.764 3.225 1.00 65.11 C ATOM 1232 CE2 PHE A 79 -0.569 -10.205 0.942 1.00 33.11 C ATOM 1233 CZ PHE A 79 -1.277 -10.007 2.109 1.00 53.24 C ATOM 0 H PHE A 79 -0.228 -13.754 0.328 1.00 2.14 H new ATOM 0 HA PHE A 79 2.211 -15.012 1.421 1.00 73.34 H new ATOM 0 HB2 PHE A 79 2.311 -13.014 2.913 1.00 1.42 H new ATOM 0 HB3 PHE A 79 2.563 -12.650 1.217 1.00 1.42 H new ATOM 0 HD1 PHE A 79 0.228 -12.308 4.048 1.00 22.31 H new ATOM 0 HD2 PHE A 79 0.974 -11.311 -0.024 1.00 11.34 H new ATOM 0 HE1 PHE A 79 -1.543 -10.610 4.140 1.00 65.11 H new ATOM 0 HE2 PHE A 79 -0.792 -9.612 0.067 1.00 33.11 H new ATOM 0 HZ PHE A 79 -2.056 -9.260 2.149 1.00 53.24 H new ATOM 1243 N SER A 80 1.183 -15.581 3.650 1.00 61.31 N ATOM 1244 CA SER A 80 0.526 -16.219 4.774 1.00 62.24 C ATOM 1245 C SER A 80 0.077 -15.193 5.807 1.00 54.45 C ATOM 1246 O SER A 80 0.574 -14.065 5.840 1.00 4.00 O ATOM 1247 CB SER A 80 1.469 -17.233 5.428 1.00 24.01 C ATOM 1248 OG SER A 80 1.904 -18.205 4.493 1.00 71.33 O ATOM 0 H SER A 80 2.201 -15.634 3.675 1.00 61.31 H new ATOM 0 HA SER A 80 -0.358 -16.734 4.398 1.00 62.24 H new ATOM 0 HB2 SER A 80 2.332 -16.714 5.846 1.00 24.01 H new ATOM 0 HB3 SER A 80 0.960 -17.724 6.257 1.00 24.01 H new ATOM 0 HG SER A 80 2.506 -18.839 4.936 1.00 71.33 H new ATOM 1254 N ARG A 81 -0.876 -15.589 6.631 1.00 13.20 N ATOM 1255 CA ARG A 81 -1.360 -14.746 7.708 1.00 72.51 C ATOM 1256 C ARG A 81 -0.260 -14.541 8.757 1.00 75.43 C ATOM 1257 O ARG A 81 0.036 -15.433 9.560 1.00 12.11 O ATOM 1258 CB ARG A 81 -2.631 -15.351 8.332 1.00 40.42 C ATOM 1259 CG ARG A 81 -2.504 -16.820 8.720 1.00 31.31 C ATOM 1260 CD ARG A 81 -3.819 -17.379 9.244 1.00 31.23 C ATOM 1261 NE ARG A 81 -4.863 -17.417 8.210 1.00 11.32 N ATOM 1262 CZ ARG A 81 -5.876 -18.291 8.200 1.00 71.32 C ATOM 1263 NH1 ARG A 81 -5.985 -19.194 9.165 1.00 63.20 N ATOM 1264 NH2 ARG A 81 -6.776 -18.262 7.222 1.00 55.33 N ATOM 0 H ARG A 81 -1.334 -16.499 6.573 1.00 13.20 H new ATOM 0 HA ARG A 81 -1.622 -13.768 7.304 1.00 72.51 H new ATOM 0 HB2 ARG A 81 -2.895 -14.775 9.219 1.00 40.42 H new ATOM 0 HB3 ARG A 81 -3.454 -15.244 7.626 1.00 40.42 H new ATOM 0 HG2 ARG A 81 -2.182 -17.399 7.854 1.00 31.31 H new ATOM 0 HG3 ARG A 81 -1.732 -16.930 9.482 1.00 31.31 H new ATOM 0 HD2 ARG A 81 -3.655 -18.386 9.628 1.00 31.23 H new ATOM 0 HD3 ARG A 81 -4.162 -16.770 10.081 1.00 31.23 H new ATOM 0 HE ARG A 81 -4.812 -16.735 7.453 1.00 11.32 H new ATOM 0 HH11 ARG A 81 -5.296 -19.223 9.916 1.00 63.20 H new ATOM 0 HH12 ARG A 81 -6.758 -19.860 9.156 1.00 63.20 H new ATOM 0 HH21 ARG A 81 -6.696 -17.572 6.475 1.00 55.33 H new ATOM 0 HH22 ARG A 81 -7.547 -18.930 7.218 1.00 55.33 H new ATOM 1278 N GLY A 82 0.355 -13.378 8.719 1.00 44.25 N ATOM 1279 CA GLY A 82 1.450 -13.077 9.612 1.00 31.42 C ATOM 1280 C GLY A 82 2.749 -12.970 8.851 1.00 34.12 C ATOM 1281 O GLY A 82 3.659 -13.778 9.038 1.00 0.21 O ATOM 0 H GLY A 82 0.113 -12.624 8.076 1.00 44.25 H new ATOM 0 HA2 GLY A 82 1.252 -12.142 10.135 1.00 31.42 H new ATOM 0 HA3 GLY A 82 1.531 -13.855 10.371 1.00 31.42 H new ATOM 1285 N GLN A 83 2.839 -11.972 7.992 1.00 2.34 N ATOM 1286 CA GLN A 83 4.006 -11.803 7.139 1.00 42.22 C ATOM 1287 C GLN A 83 4.551 -10.384 7.181 1.00 31.20 C ATOM 1288 O GLN A 83 5.749 -10.178 7.393 1.00 44.53 O ATOM 1289 CB GLN A 83 3.675 -12.198 5.693 1.00 15.53 C ATOM 1290 CG GLN A 83 3.697 -13.697 5.442 1.00 3.52 C ATOM 1291 CD GLN A 83 5.099 -14.269 5.487 1.00 45.52 C ATOM 1292 OE1 GLN A 83 5.595 -14.645 6.545 1.00 21.11 O ATOM 1293 NE2 GLN A 83 5.745 -14.344 4.340 1.00 55.22 N ATOM 0 H GLN A 83 2.117 -11.263 7.864 1.00 2.34 H new ATOM 0 HA GLN A 83 4.783 -12.463 7.526 1.00 42.22 H new ATOM 0 HB2 GLN A 83 2.688 -11.812 5.438 1.00 15.53 H new ATOM 0 HB3 GLN A 83 4.388 -11.717 5.023 1.00 15.53 H new ATOM 0 HG2 GLN A 83 3.079 -14.197 6.188 1.00 3.52 H new ATOM 0 HG3 GLN A 83 3.253 -13.906 4.469 1.00 3.52 H new ATOM 0 HE21 GLN A 83 5.299 -14.021 3.481 1.00 55.22 H new ATOM 0 HE22 GLN A 83 6.691 -14.725 4.311 1.00 55.22 H new ATOM 1302 N MET A 84 3.688 -9.407 6.983 1.00 31.21 N ATOM 1303 CA MET A 84 4.127 -8.026 6.946 1.00 13.52 C ATOM 1304 C MET A 84 3.881 -7.342 8.281 1.00 12.32 C ATOM 1305 O MET A 84 4.822 -7.055 9.023 1.00 22.23 O ATOM 1306 CB MET A 84 3.422 -7.272 5.816 1.00 64.13 C ATOM 1307 CG MET A 84 3.963 -5.873 5.573 1.00 25.32 C ATOM 1308 SD MET A 84 5.708 -5.867 5.107 1.00 22.22 S ATOM 1309 CE MET A 84 5.678 -6.878 3.625 1.00 5.14 C ATOM 0 H MET A 84 2.686 -9.542 6.846 1.00 31.21 H new ATOM 0 HA MET A 84 5.200 -8.014 6.754 1.00 13.52 H new ATOM 0 HB2 MET A 84 3.512 -7.850 4.896 1.00 64.13 H new ATOM 0 HB3 MET A 84 2.359 -7.204 6.047 1.00 64.13 H new ATOM 0 HG2 MET A 84 3.380 -5.395 4.786 1.00 25.32 H new ATOM 0 HG3 MET A 84 3.831 -5.276 6.475 1.00 25.32 H new ATOM 0 HE1 MET A 84 6.582 -6.697 3.043 1.00 5.14 H new ATOM 0 HE2 MET A 84 5.630 -7.931 3.904 1.00 5.14 H new ATOM 0 HE3 MET A 84 4.804 -6.621 3.027 1.00 5.14 H new ATOM 1319 N GLN A 85 2.618 -7.104 8.594 1.00 32.42 N ATOM 1320 CA GLN A 85 2.232 -6.442 9.833 1.00 52.45 C ATOM 1321 C GLN A 85 0.864 -6.909 10.274 1.00 62.43 C ATOM 1322 O GLN A 85 0.009 -7.215 9.447 1.00 45.14 O ATOM 1323 CB GLN A 85 2.231 -4.913 9.683 1.00 54.32 C ATOM 1324 CG GLN A 85 3.614 -4.288 9.658 1.00 3.15 C ATOM 1325 CD GLN A 85 3.577 -2.777 9.720 1.00 44.45 C ATOM 1326 OE1 GLN A 85 2.638 -2.142 9.237 1.00 14.30 O ATOM 1327 NE2 GLN A 85 4.594 -2.190 10.319 1.00 3.34 N ATOM 0 H GLN A 85 1.831 -7.363 7.999 1.00 32.42 H new ATOM 0 HA GLN A 85 2.970 -6.709 10.589 1.00 52.45 H new ATOM 0 HB2 GLN A 85 1.709 -4.650 8.763 1.00 54.32 H new ATOM 0 HB3 GLN A 85 1.664 -4.479 10.506 1.00 54.32 H new ATOM 0 HG2 GLN A 85 4.194 -4.667 10.499 1.00 3.15 H new ATOM 0 HG3 GLN A 85 4.131 -4.597 8.749 1.00 3.15 H new ATOM 0 HE21 GLN A 85 5.352 -2.753 10.706 1.00 3.34 H new ATOM 0 HE22 GLN A 85 4.623 -1.173 10.396 1.00 3.34 H new ATOM 1336 N LYS A 86 0.654 -6.943 11.574 1.00 73.41 N ATOM 1337 CA LYS A 86 -0.614 -7.387 12.139 1.00 22.11 C ATOM 1338 C LYS A 86 -1.803 -6.577 11.576 1.00 1.12 C ATOM 1339 O LYS A 86 -2.771 -7.166 11.095 1.00 24.30 O ATOM 1340 CB LYS A 86 -0.577 -7.324 13.671 1.00 45.14 C ATOM 1341 CG LYS A 86 0.626 -8.027 14.284 1.00 34.32 C ATOM 1342 CD LYS A 86 0.662 -9.506 13.929 1.00 42.42 C ATOM 1343 CE LYS A 86 1.926 -10.168 14.458 1.00 33.22 C ATOM 1344 NZ LYS A 86 1.970 -11.618 14.146 1.00 4.55 N ATOM 0 H LYS A 86 1.348 -6.667 12.268 1.00 73.41 H new ATOM 0 HA LYS A 86 -0.763 -8.426 11.844 1.00 22.11 H new ATOM 0 HB2 LYS A 86 -0.574 -6.280 13.983 1.00 45.14 H new ATOM 0 HB3 LYS A 86 -1.489 -7.772 14.066 1.00 45.14 H new ATOM 0 HG2 LYS A 86 1.542 -7.548 13.937 1.00 34.32 H new ATOM 0 HG3 LYS A 86 0.599 -7.915 15.368 1.00 34.32 H new ATOM 0 HD2 LYS A 86 -0.214 -10.004 14.345 1.00 42.42 H new ATOM 0 HD3 LYS A 86 0.612 -9.624 12.847 1.00 42.42 H new ATOM 0 HE2 LYS A 86 2.799 -9.678 14.026 1.00 33.22 H new ATOM 0 HE3 LYS A 86 1.983 -10.028 15.537 1.00 33.22 H new ATOM 0 HZ1 LYS A 86 2.847 -12.028 14.525 1.00 4.55 H new ATOM 0 HZ2 LYS A 86 1.151 -12.091 14.579 1.00 4.55 H new ATOM 0 HZ3 LYS A 86 1.942 -11.752 13.115 1.00 4.55 H new ATOM 1358 N PRO A 87 -1.754 -5.210 11.618 1.00 14.04 N ATOM 1359 CA PRO A 87 -2.821 -4.372 11.053 1.00 51.43 C ATOM 1360 C PRO A 87 -2.952 -4.545 9.536 1.00 65.33 C ATOM 1361 O PRO A 87 -4.004 -4.259 8.957 1.00 12.42 O ATOM 1362 CB PRO A 87 -2.371 -2.938 11.380 1.00 15.14 C ATOM 1363 CG PRO A 87 -0.907 -3.043 11.618 1.00 21.31 C ATOM 1364 CD PRO A 87 -0.696 -4.385 12.240 1.00 33.31 C ATOM 0 HA PRO A 87 -3.796 -4.633 11.464 1.00 51.43 H new ATOM 0 HB2 PRO A 87 -2.590 -2.258 10.557 1.00 15.14 H new ATOM 0 HB3 PRO A 87 -2.888 -2.552 12.259 1.00 15.14 H new ATOM 0 HG2 PRO A 87 -0.351 -2.952 10.685 1.00 21.31 H new ATOM 0 HG3 PRO A 87 -0.559 -2.247 12.276 1.00 21.31 H new ATOM 0 HD2 PRO A 87 0.299 -4.777 12.027 1.00 33.31 H new ATOM 0 HD3 PRO A 87 -0.798 -4.348 13.325 1.00 33.31 H new ATOM 1372 N PHE A 88 -1.886 -5.024 8.904 1.00 22.02 N ATOM 1373 CA PHE A 88 -1.873 -5.207 7.464 1.00 2.25 C ATOM 1374 C PHE A 88 -2.642 -6.459 7.063 1.00 42.43 C ATOM 1375 O PHE A 88 -3.644 -6.370 6.354 1.00 55.24 O ATOM 1376 CB PHE A 88 -0.435 -5.263 6.929 1.00 12.23 C ATOM 1377 CG PHE A 88 -0.351 -5.440 5.434 1.00 32.12 C ATOM 1378 CD1 PHE A 88 -0.580 -4.372 4.583 1.00 41.31 C ATOM 1379 CD2 PHE A 88 -0.049 -6.675 4.883 1.00 41.12 C ATOM 1380 CE1 PHE A 88 -0.508 -4.532 3.213 1.00 61.51 C ATOM 1381 CE2 PHE A 88 0.023 -6.841 3.515 1.00 54.32 C ATOM 1382 CZ PHE A 88 -0.206 -5.768 2.679 1.00 3.33 C ATOM 0 H PHE A 88 -1.020 -5.292 9.371 1.00 22.02 H new ATOM 0 HA PHE A 88 -2.370 -4.346 7.017 1.00 2.25 H new ATOM 0 HB2 PHE A 88 0.083 -4.345 7.207 1.00 12.23 H new ATOM 0 HB3 PHE A 88 0.092 -6.085 7.413 1.00 12.23 H new ATOM 0 HD1 PHE A 88 -0.818 -3.403 4.995 1.00 41.31 H new ATOM 0 HD2 PHE A 88 0.132 -7.519 5.533 1.00 41.12 H new ATOM 0 HE1 PHE A 88 -0.688 -3.691 2.560 1.00 61.51 H new ATOM 0 HE2 PHE A 88 0.258 -7.810 3.099 1.00 54.32 H new ATOM 0 HZ PHE A 88 -0.149 -5.895 1.608 1.00 3.33 H new ATOM 1392 N GLU A 89 -2.184 -7.625 7.524 1.00 62.43 N ATOM 1393 CA GLU A 89 -2.842 -8.886 7.178 1.00 31.21 C ATOM 1394 C GLU A 89 -4.292 -8.904 7.635 1.00 23.44 C ATOM 1395 O GLU A 89 -5.162 -9.417 6.930 1.00 41.42 O ATOM 1396 CB GLU A 89 -2.100 -10.098 7.751 1.00 33.51 C ATOM 1397 CG GLU A 89 -0.777 -10.408 7.068 1.00 42.42 C ATOM 1398 CD GLU A 89 0.391 -9.685 7.686 1.00 71.04 C ATOM 1399 OE1 GLU A 89 0.847 -10.111 8.762 1.00 62.22 O ATOM 1400 OE2 GLU A 89 0.869 -8.705 7.099 1.00 51.01 O ATOM 0 H GLU A 89 -1.370 -7.722 8.131 1.00 62.43 H new ATOM 0 HA GLU A 89 -2.818 -8.956 6.091 1.00 31.21 H new ATOM 0 HB2 GLU A 89 -1.916 -9.927 8.812 1.00 33.51 H new ATOM 0 HB3 GLU A 89 -2.747 -10.972 7.677 1.00 33.51 H new ATOM 0 HG2 GLU A 89 -0.596 -11.482 7.111 1.00 42.42 H new ATOM 0 HG3 GLU A 89 -0.847 -10.138 6.014 1.00 42.42 H new ATOM 1407 N ASP A 90 -4.553 -8.326 8.803 1.00 54.45 N ATOM 1408 CA ASP A 90 -5.910 -8.280 9.355 1.00 62.32 C ATOM 1409 C ASP A 90 -6.871 -7.610 8.374 1.00 12.12 C ATOM 1410 O ASP A 90 -8.024 -8.021 8.234 1.00 63.42 O ATOM 1411 CB ASP A 90 -5.922 -7.535 10.692 1.00 42.31 C ATOM 1412 CG ASP A 90 -7.263 -7.611 11.396 1.00 23.25 C ATOM 1413 OD1 ASP A 90 -7.515 -8.611 12.091 1.00 60.33 O ATOM 1414 OD2 ASP A 90 -8.072 -6.665 11.264 1.00 43.55 O ATOM 0 H ASP A 90 -3.846 -7.882 9.388 1.00 54.45 H new ATOM 0 HA ASP A 90 -6.241 -9.305 9.521 1.00 62.32 H new ATOM 0 HB2 ASP A 90 -5.152 -7.951 11.341 1.00 42.31 H new ATOM 0 HB3 ASP A 90 -5.665 -6.489 10.522 1.00 42.31 H new ATOM 1419 N ALA A 91 -6.384 -6.588 7.687 1.00 65.24 N ATOM 1420 CA ALA A 91 -7.187 -5.873 6.709 1.00 53.04 C ATOM 1421 C ALA A 91 -7.118 -6.554 5.345 1.00 52.03 C ATOM 1422 O ALA A 91 -8.118 -6.661 4.645 1.00 21.40 O ATOM 1423 CB ALA A 91 -6.731 -4.425 6.606 1.00 44.34 C ATOM 0 H ALA A 91 -5.433 -6.235 7.790 1.00 65.24 H new ATOM 0 HA ALA A 91 -8.225 -5.889 7.043 1.00 53.04 H new ATOM 0 HB1 ALA A 91 -7.342 -3.903 5.870 1.00 44.34 H new ATOM 0 HB2 ALA A 91 -6.838 -3.940 7.576 1.00 44.34 H new ATOM 0 HB3 ALA A 91 -5.686 -4.394 6.298 1.00 44.34 H new ATOM 1429 N SER A 92 -5.934 -7.036 4.992 1.00 45.32 N ATOM 1430 CA SER A 92 -5.708 -7.685 3.703 1.00 42.35 C ATOM 1431 C SER A 92 -6.592 -8.922 3.523 1.00 54.04 C ATOM 1432 O SER A 92 -7.182 -9.120 2.461 1.00 21.22 O ATOM 1433 CB SER A 92 -4.236 -8.062 3.556 1.00 60.44 C ATOM 1434 OG SER A 92 -3.406 -6.922 3.702 1.00 61.32 O ATOM 0 H SER A 92 -5.106 -6.990 5.586 1.00 45.32 H new ATOM 0 HA SER A 92 -5.979 -6.973 2.923 1.00 42.35 H new ATOM 0 HB2 SER A 92 -3.971 -8.808 4.305 1.00 60.44 H new ATOM 0 HB3 SER A 92 -4.068 -8.517 2.580 1.00 60.44 H new ATOM 0 HG SER A 92 -3.378 -6.656 4.645 1.00 61.32 H new ATOM 1440 N PHE A 93 -6.691 -9.742 4.566 1.00 55.12 N ATOM 1441 CA PHE A 93 -7.506 -10.954 4.508 1.00 52.02 C ATOM 1442 C PHE A 93 -8.994 -10.626 4.598 1.00 22.20 C ATOM 1443 O PHE A 93 -9.841 -11.445 4.244 1.00 74.01 O ATOM 1444 CB PHE A 93 -7.110 -11.935 5.620 1.00 20.01 C ATOM 1445 CG PHE A 93 -5.821 -12.672 5.359 1.00 74.13 C ATOM 1446 CD1 PHE A 93 -4.596 -12.051 5.539 1.00 50.41 C ATOM 1447 CD2 PHE A 93 -5.840 -13.991 4.937 1.00 73.34 C ATOM 1448 CE1 PHE A 93 -3.417 -12.729 5.302 1.00 0.23 C ATOM 1449 CE2 PHE A 93 -4.662 -14.673 4.698 1.00 3.21 C ATOM 1450 CZ PHE A 93 -3.451 -14.042 4.881 1.00 31.25 C ATOM 0 H PHE A 93 -6.220 -9.591 5.458 1.00 55.12 H new ATOM 0 HA PHE A 93 -7.320 -11.428 3.544 1.00 52.02 H new ATOM 0 HB2 PHE A 93 -7.020 -11.387 6.558 1.00 20.01 H new ATOM 0 HB3 PHE A 93 -7.912 -12.662 5.751 1.00 20.01 H new ATOM 0 HD1 PHE A 93 -4.563 -11.023 5.869 1.00 50.41 H new ATOM 0 HD2 PHE A 93 -6.786 -14.492 4.793 1.00 73.34 H new ATOM 0 HE1 PHE A 93 -2.469 -12.232 5.446 1.00 0.23 H new ATOM 0 HE2 PHE A 93 -4.691 -15.701 4.368 1.00 3.21 H new ATOM 0 HZ PHE A 93 -2.530 -14.575 4.695 1.00 31.25 H new ATOM 1460 N ALA A 94 -9.305 -9.425 5.062 1.00 1.34 N ATOM 1461 CA ALA A 94 -10.688 -8.991 5.194 1.00 24.31 C ATOM 1462 C ALA A 94 -11.219 -8.471 3.865 1.00 51.32 C ATOM 1463 O ALA A 94 -12.421 -8.534 3.597 1.00 15.34 O ATOM 1464 CB ALA A 94 -10.810 -7.922 6.271 1.00 52.40 C ATOM 0 H ALA A 94 -8.616 -8.732 5.354 1.00 1.34 H new ATOM 0 HA ALA A 94 -11.289 -9.851 5.489 1.00 24.31 H new ATOM 0 HB1 ALA A 94 -11.851 -7.609 6.357 1.00 52.40 H new ATOM 0 HB2 ALA A 94 -10.473 -8.327 7.225 1.00 52.40 H new ATOM 0 HB3 ALA A 94 -10.194 -7.064 6.003 1.00 52.40 H new ATOM 1470 N LEU A 95 -10.317 -7.961 3.035 1.00 45.24 N ATOM 1471 CA LEU A 95 -10.687 -7.439 1.728 1.00 2.14 C ATOM 1472 C LEU A 95 -11.035 -8.573 0.780 1.00 73.14 C ATOM 1473 O LEU A 95 -10.569 -9.701 0.949 1.00 40.13 O ATOM 1474 CB LEU A 95 -9.550 -6.607 1.137 1.00 65.10 C ATOM 1475 CG LEU A 95 -9.131 -5.379 1.940 1.00 43.21 C ATOM 1476 CD1 LEU A 95 -7.951 -4.700 1.279 1.00 63.32 C ATOM 1477 CD2 LEU A 95 -10.293 -4.405 2.084 1.00 3.53 C ATOM 0 H LEU A 95 -9.321 -7.898 3.246 1.00 45.24 H new ATOM 0 HA LEU A 95 -11.562 -6.801 1.856 1.00 2.14 H new ATOM 0 HB2 LEU A 95 -8.679 -7.252 1.016 1.00 65.10 H new ATOM 0 HB3 LEU A 95 -9.846 -6.281 0.140 1.00 65.10 H new ATOM 0 HG LEU A 95 -8.835 -5.704 2.937 1.00 43.21 H new ATOM 0 HD11 LEU A 95 -7.661 -3.825 1.861 1.00 63.32 H new ATOM 0 HD12 LEU A 95 -7.113 -5.395 1.228 1.00 63.32 H new ATOM 0 HD13 LEU A 95 -8.227 -4.390 0.271 1.00 63.32 H new ATOM 0 HD21 LEU A 95 -9.971 -3.537 2.660 1.00 3.53 H new ATOM 0 HD22 LEU A 95 -10.622 -4.083 1.096 1.00 3.53 H new ATOM 0 HD23 LEU A 95 -11.118 -4.897 2.599 1.00 3.53 H new ATOM 1489 N ARG A 96 -11.844 -8.269 -0.210 1.00 54.14 N ATOM 1490 CA ARG A 96 -12.266 -9.259 -1.185 1.00 21.43 C ATOM 1491 C ARG A 96 -11.654 -8.979 -2.555 1.00 43.44 C ATOM 1492 O ARG A 96 -11.014 -7.943 -2.762 1.00 52.41 O ATOM 1493 CB ARG A 96 -13.788 -9.271 -1.292 1.00 55.03 C ATOM 1494 CG ARG A 96 -14.500 -9.737 -0.032 1.00 64.21 C ATOM 1495 CD ARG A 96 -14.214 -11.203 0.263 1.00 75.22 C ATOM 1496 NE ARG A 96 -14.621 -12.075 -0.844 1.00 31.23 N ATOM 1497 CZ ARG A 96 -15.110 -13.304 -0.699 1.00 2.51 C ATOM 1498 NH1 ARG A 96 -15.238 -13.836 0.514 1.00 11.44 N ATOM 1499 NH2 ARG A 96 -15.456 -14.007 -1.771 1.00 32.31 N ATOM 0 H ARG A 96 -12.228 -7.337 -0.365 1.00 54.14 H new ATOM 0 HA ARG A 96 -11.918 -10.235 -0.848 1.00 21.43 H new ATOM 0 HB2 ARG A 96 -14.131 -8.266 -1.539 1.00 55.03 H new ATOM 0 HB3 ARG A 96 -14.077 -9.919 -2.119 1.00 55.03 H new ATOM 0 HG2 ARG A 96 -14.182 -9.126 0.813 1.00 64.21 H new ATOM 0 HG3 ARG A 96 -15.574 -9.591 -0.145 1.00 64.21 H new ATOM 0 HD2 ARG A 96 -13.149 -11.333 0.455 1.00 75.22 H new ATOM 0 HD3 ARG A 96 -14.740 -11.500 1.171 1.00 75.22 H new ATOM 0 HE ARG A 96 -14.522 -11.713 -1.793 1.00 31.23 H new ATOM 0 HH11 ARG A 96 -14.961 -13.301 1.337 1.00 11.44 H new ATOM 0 HH12 ARG A 96 -15.613 -14.778 0.621 1.00 11.44 H new ATOM 0 HH21 ARG A 96 -15.347 -13.605 -2.702 1.00 32.31 H new ATOM 0 HH22 ARG A 96 -15.831 -14.949 -1.664 1.00 32.31 H new ATOM 1513 N THR A 97 -11.847 -9.910 -3.479 1.00 4.11 N ATOM 1514 CA THR A 97 -11.355 -9.772 -4.840 1.00 54.50 C ATOM 1515 C THR A 97 -11.973 -8.543 -5.525 1.00 30.15 C ATOM 1516 O THR A 97 -13.196 -8.443 -5.656 1.00 23.51 O ATOM 1517 CB THR A 97 -11.695 -11.030 -5.664 1.00 43.13 C ATOM 1518 OG1 THR A 97 -11.244 -12.206 -4.971 1.00 40.45 O ATOM 1519 CG2 THR A 97 -11.051 -10.970 -7.041 1.00 74.52 C ATOM 0 H THR A 97 -12.349 -10.781 -3.305 1.00 4.11 H new ATOM 0 HA THR A 97 -10.273 -9.647 -4.790 1.00 54.50 H new ATOM 0 HB THR A 97 -12.777 -11.072 -5.790 1.00 43.13 H new ATOM 0 HG1 THR A 97 -10.371 -12.478 -5.322 1.00 40.45 H new ATOM 0 HG21 THR A 97 -11.307 -11.869 -7.602 1.00 74.52 H new ATOM 0 HG22 THR A 97 -11.416 -10.093 -7.576 1.00 74.52 H new ATOM 0 HG23 THR A 97 -9.968 -10.905 -6.934 1.00 74.52 H new ATOM 1527 N GLY A 98 -11.125 -7.613 -5.944 1.00 44.54 N ATOM 1528 CA GLY A 98 -11.599 -6.420 -6.616 1.00 34.24 C ATOM 1529 C GLY A 98 -11.913 -5.297 -5.648 1.00 54.42 C ATOM 1530 O GLY A 98 -12.378 -4.229 -6.051 1.00 61.43 O ATOM 0 H GLY A 98 -10.113 -7.665 -5.830 1.00 44.54 H new ATOM 0 HA2 GLY A 98 -10.845 -6.083 -7.327 1.00 34.24 H new ATOM 0 HA3 GLY A 98 -12.493 -6.661 -7.191 1.00 34.24 H new ATOM 1534 N GLU A 99 -11.657 -5.532 -4.374 1.00 2.44 N ATOM 1535 CA GLU A 99 -11.931 -4.544 -3.350 1.00 44.12 C ATOM 1536 C GLU A 99 -10.639 -3.901 -2.859 1.00 24.44 C ATOM 1537 O GLU A 99 -9.623 -4.582 -2.669 1.00 52.42 O ATOM 1538 CB GLU A 99 -12.704 -5.186 -2.194 1.00 5.25 C ATOM 1539 CG GLU A 99 -13.129 -4.215 -1.109 1.00 40.43 C ATOM 1540 CD GLU A 99 -14.152 -4.813 -0.173 1.00 54.33 C ATOM 1541 OE1 GLU A 99 -13.759 -5.448 0.823 1.00 1.52 O ATOM 1542 OE2 GLU A 99 -15.360 -4.647 -0.433 1.00 32.21 O ATOM 0 H GLU A 99 -11.258 -6.403 -4.024 1.00 2.44 H new ATOM 0 HA GLU A 99 -12.549 -3.755 -3.780 1.00 44.12 H new ATOM 0 HB2 GLU A 99 -13.592 -5.676 -2.594 1.00 5.25 H new ATOM 0 HB3 GLU A 99 -12.085 -5.964 -1.747 1.00 5.25 H new ATOM 0 HG2 GLU A 99 -12.254 -3.906 -0.538 1.00 40.43 H new ATOM 0 HG3 GLU A 99 -13.542 -3.317 -1.569 1.00 40.43 H new ATOM 1549 N MET A 100 -10.678 -2.591 -2.678 1.00 53.43 N ATOM 1550 CA MET A 100 -9.521 -1.839 -2.229 1.00 44.24 C ATOM 1551 C MET A 100 -9.822 -1.133 -0.913 1.00 53.40 C ATOM 1552 O MET A 100 -10.945 -0.668 -0.688 1.00 14.24 O ATOM 1553 CB MET A 100 -9.117 -0.816 -3.297 1.00 43.51 C ATOM 1554 CG MET A 100 -7.854 -0.035 -2.973 1.00 42.43 C ATOM 1555 SD MET A 100 -7.367 1.082 -4.303 1.00 22.34 S ATOM 1556 CE MET A 100 -8.790 2.166 -4.378 1.00 13.14 C ATOM 0 H MET A 100 -11.510 -2.022 -2.838 1.00 53.43 H new ATOM 0 HA MET A 100 -8.694 -2.531 -2.068 1.00 44.24 H new ATOM 0 HB2 MET A 100 -8.975 -1.335 -4.245 1.00 43.51 H new ATOM 0 HB3 MET A 100 -9.938 -0.113 -3.438 1.00 43.51 H new ATOM 0 HG2 MET A 100 -8.011 0.540 -2.060 1.00 42.43 H new ATOM 0 HG3 MET A 100 -7.041 -0.733 -2.774 1.00 42.43 H new ATOM 0 HE1 MET A 100 -8.550 3.040 -4.983 1.00 13.14 H new ATOM 0 HE2 MET A 100 -9.629 1.634 -4.826 1.00 13.14 H new ATOM 0 HE3 MET A 100 -9.058 2.484 -3.371 1.00 13.14 H new ATOM 1566 N SER A 101 -8.828 -1.060 -0.048 1.00 14.13 N ATOM 1567 CA SER A 101 -8.978 -0.407 1.234 1.00 33.44 C ATOM 1568 C SER A 101 -8.777 1.097 1.092 1.00 2.15 C ATOM 1569 O SER A 101 -8.521 1.604 -0.007 1.00 14.44 O ATOM 1570 CB SER A 101 -7.960 -0.969 2.229 1.00 63.44 C ATOM 1571 OG SER A 101 -6.631 -0.708 1.800 1.00 12.25 O ATOM 0 H SER A 101 -7.900 -1.450 -0.215 1.00 14.13 H new ATOM 0 HA SER A 101 -9.986 -0.595 1.603 1.00 33.44 H new ATOM 0 HB2 SER A 101 -8.123 -0.525 3.211 1.00 63.44 H new ATOM 0 HB3 SER A 101 -8.107 -2.044 2.337 1.00 63.44 H new ATOM 0 HG SER A 101 -5.999 -1.075 2.452 1.00 12.25 H new ATOM 1577 N GLY A 102 -8.897 1.803 2.196 1.00 70.43 N ATOM 1578 CA GLY A 102 -8.660 3.219 2.193 1.00 41.11 C ATOM 1579 C GLY A 102 -7.273 3.530 2.701 1.00 33.10 C ATOM 1580 O GLY A 102 -6.380 2.682 2.611 1.00 24.04 O ATOM 0 H GLY A 102 -9.157 1.415 3.103 1.00 70.43 H new ATOM 0 HA2 GLY A 102 -8.779 3.610 1.183 1.00 41.11 H new ATOM 0 HA3 GLY A 102 -9.401 3.718 2.817 1.00 41.11 H new ATOM 1584 N PRO A 103 -7.056 4.730 3.246 1.00 11.22 N ATOM 1585 CA PRO A 103 -5.762 5.121 3.787 1.00 23.42 C ATOM 1586 C PRO A 103 -5.461 4.399 5.097 1.00 12.33 C ATOM 1587 O PRO A 103 -6.013 4.736 6.146 1.00 62.10 O ATOM 1588 CB PRO A 103 -5.903 6.638 4.036 1.00 65.12 C ATOM 1589 CG PRO A 103 -7.190 7.031 3.384 1.00 62.23 C ATOM 1590 CD PRO A 103 -8.044 5.800 3.375 1.00 21.14 C ATOM 0 HA PRO A 103 -4.945 4.870 3.110 1.00 23.42 H new ATOM 0 HB2 PRO A 103 -5.919 6.861 5.103 1.00 65.12 H new ATOM 0 HB3 PRO A 103 -5.063 7.186 3.609 1.00 65.12 H new ATOM 0 HG2 PRO A 103 -7.675 7.838 3.934 1.00 62.23 H new ATOM 0 HG3 PRO A 103 -7.019 7.394 2.371 1.00 62.23 H new ATOM 0 HD2 PRO A 103 -8.628 5.705 4.290 1.00 21.14 H new ATOM 0 HD3 PRO A 103 -8.750 5.802 2.545 1.00 21.14 H new ATOM 1598 N VAL A 104 -4.617 3.388 5.027 1.00 12.15 N ATOM 1599 CA VAL A 104 -4.236 2.638 6.209 1.00 53.31 C ATOM 1600 C VAL A 104 -2.981 3.245 6.826 1.00 3.31 C ATOM 1601 O VAL A 104 -1.885 3.115 6.280 1.00 53.12 O ATOM 1602 CB VAL A 104 -3.984 1.144 5.883 1.00 13.13 C ATOM 1603 CG1 VAL A 104 -3.710 0.354 7.155 1.00 35.10 C ATOM 1604 CG2 VAL A 104 -5.166 0.550 5.128 1.00 42.34 C ATOM 0 H VAL A 104 -4.181 3.066 4.163 1.00 12.15 H new ATOM 0 HA VAL A 104 -5.062 2.694 6.918 1.00 53.31 H new ATOM 0 HB VAL A 104 -3.103 1.080 5.244 1.00 13.13 H new ATOM 0 HG11 VAL A 104 -3.536 -0.692 6.903 1.00 35.10 H new ATOM 0 HG12 VAL A 104 -2.829 0.759 7.652 1.00 35.10 H new ATOM 0 HG13 VAL A 104 -4.569 0.429 7.822 1.00 35.10 H new ATOM 0 HG21 VAL A 104 -4.968 -0.499 4.909 1.00 42.34 H new ATOM 0 HG22 VAL A 104 -6.065 0.630 5.739 1.00 42.34 H new ATOM 0 HG23 VAL A 104 -5.312 1.094 4.195 1.00 42.34 H new ATOM 1614 N PHE A 105 -3.152 3.920 7.948 1.00 32.43 N ATOM 1615 CA PHE A 105 -2.045 4.579 8.630 1.00 22.04 C ATOM 1616 C PHE A 105 -1.290 3.595 9.514 1.00 52.31 C ATOM 1617 O PHE A 105 -1.765 3.226 10.591 1.00 70.45 O ATOM 1618 CB PHE A 105 -2.558 5.743 9.493 1.00 43.42 C ATOM 1619 CG PHE A 105 -3.253 6.838 8.729 1.00 24.04 C ATOM 1620 CD1 PHE A 105 -4.584 6.712 8.363 1.00 13.55 C ATOM 1621 CD2 PHE A 105 -2.579 7.999 8.392 1.00 0.33 C ATOM 1622 CE1 PHE A 105 -5.228 7.721 7.677 1.00 72.35 C ATOM 1623 CE2 PHE A 105 -3.217 9.012 7.703 1.00 52.34 C ATOM 1624 CZ PHE A 105 -4.543 8.872 7.345 1.00 55.04 C ATOM 0 H PHE A 105 -4.054 4.029 8.412 1.00 32.43 H new ATOM 0 HA PHE A 105 -1.369 4.965 7.867 1.00 22.04 H new ATOM 0 HB2 PHE A 105 -3.246 5.347 10.240 1.00 43.42 H new ATOM 0 HB3 PHE A 105 -1.716 6.175 10.033 1.00 43.42 H new ATOM 0 HD1 PHE A 105 -5.124 5.812 8.618 1.00 13.55 H new ATOM 0 HD2 PHE A 105 -1.542 8.114 8.671 1.00 0.33 H new ATOM 0 HE1 PHE A 105 -6.266 7.610 7.400 1.00 72.35 H new ATOM 0 HE2 PHE A 105 -2.679 9.912 7.445 1.00 52.34 H new ATOM 0 HZ PHE A 105 -5.044 9.662 6.806 1.00 55.04 H new ATOM 1634 N THR A 106 -0.128 3.164 9.061 1.00 42.04 N ATOM 1635 CA THR A 106 0.688 2.252 9.830 1.00 50.24 C ATOM 1636 C THR A 106 1.957 2.947 10.312 1.00 72.44 C ATOM 1637 O THR A 106 2.156 4.142 10.071 1.00 34.35 O ATOM 1638 CB THR A 106 1.066 0.991 9.015 1.00 45.30 C ATOM 1639 OG1 THR A 106 1.736 1.365 7.806 1.00 74.32 O ATOM 1640 CG2 THR A 106 -0.170 0.171 8.678 1.00 21.33 C ATOM 0 H THR A 106 0.270 3.433 8.161 1.00 42.04 H new ATOM 0 HA THR A 106 0.096 1.937 10.689 1.00 50.24 H new ATOM 0 HB THR A 106 1.733 0.383 9.626 1.00 45.30 H new ATOM 0 HG1 THR A 106 1.415 0.807 7.068 1.00 74.32 H new ATOM 0 HG21 THR A 106 0.122 -0.709 8.105 1.00 21.33 H new ATOM 0 HG22 THR A 106 -0.661 -0.142 9.599 1.00 21.33 H new ATOM 0 HG23 THR A 106 -0.858 0.776 8.087 1.00 21.33 H new ATOM 1648 N ASP A 107 2.809 2.197 10.984 1.00 31.42 N ATOM 1649 CA ASP A 107 4.063 2.718 11.528 1.00 32.22 C ATOM 1650 C ASP A 107 5.017 3.235 10.441 1.00 42.44 C ATOM 1651 O ASP A 107 5.683 4.255 10.622 1.00 4.31 O ATOM 1652 CB ASP A 107 4.751 1.633 12.367 1.00 53.55 C ATOM 1653 CG ASP A 107 6.258 1.687 12.290 1.00 4.04 C ATOM 1654 OD1 ASP A 107 6.865 2.516 12.989 1.00 53.24 O ATOM 1655 OD2 ASP A 107 6.842 0.885 11.521 1.00 71.43 O ATOM 0 H ASP A 107 2.657 1.206 11.172 1.00 31.42 H new ATOM 0 HA ASP A 107 3.813 3.574 12.155 1.00 32.22 H new ATOM 0 HB2 ASP A 107 4.443 1.738 13.407 1.00 53.55 H new ATOM 0 HB3 ASP A 107 4.411 0.653 12.031 1.00 53.55 H new ATOM 1660 N SER A 108 5.069 2.549 9.318 1.00 33.23 N ATOM 1661 CA SER A 108 6.008 2.908 8.267 1.00 34.03 C ATOM 1662 C SER A 108 5.409 3.895 7.252 1.00 11.24 C ATOM 1663 O SER A 108 6.075 4.287 6.294 1.00 74.54 O ATOM 1664 CB SER A 108 6.501 1.646 7.570 1.00 40.02 C ATOM 1665 OG SER A 108 6.985 0.703 8.523 1.00 12.11 O ATOM 0 H SER A 108 4.478 1.745 9.107 1.00 33.23 H new ATOM 0 HA SER A 108 6.849 3.420 8.734 1.00 34.03 H new ATOM 0 HB2 SER A 108 5.690 1.203 6.992 1.00 40.02 H new ATOM 0 HB3 SER A 108 7.294 1.899 6.866 1.00 40.02 H new ATOM 0 HG SER A 108 6.932 1.090 9.422 1.00 12.11 H new ATOM 1671 N GLY A 109 4.168 4.300 7.466 1.00 11.31 N ATOM 1672 CA GLY A 109 3.541 5.238 6.556 1.00 22.23 C ATOM 1673 C GLY A 109 2.102 4.889 6.279 1.00 2.12 C ATOM 1674 O GLY A 109 1.476 4.179 7.055 1.00 62.32 O ATOM 0 H GLY A 109 3.585 4.000 8.248 1.00 11.31 H new ATOM 0 HA2 GLY A 109 3.595 6.242 6.978 1.00 22.23 H new ATOM 0 HA3 GLY A 109 4.095 5.257 5.618 1.00 22.23 H new ATOM 1678 N ILE A 110 1.576 5.384 5.180 1.00 23.20 N ATOM 1679 CA ILE A 110 0.202 5.108 4.815 1.00 1.52 C ATOM 1680 C ILE A 110 0.162 4.078 3.691 1.00 72.42 C ATOM 1681 O ILE A 110 0.929 4.168 2.725 1.00 21.54 O ATOM 1682 CB ILE A 110 -0.541 6.390 4.376 1.00 45.52 C ATOM 1683 CG1 ILE A 110 -0.294 7.518 5.384 1.00 55.23 C ATOM 1684 CG2 ILE A 110 -2.038 6.112 4.251 1.00 54.11 C ATOM 1685 CD1 ILE A 110 -0.898 8.845 4.978 1.00 22.45 C ATOM 0 H ILE A 110 2.079 5.980 4.523 1.00 23.20 H new ATOM 0 HA ILE A 110 -0.304 4.713 5.696 1.00 1.52 H new ATOM 0 HB ILE A 110 -0.159 6.702 3.404 1.00 45.52 H new ATOM 0 HG12 ILE A 110 -0.703 7.224 6.351 1.00 55.23 H new ATOM 0 HG13 ILE A 110 0.780 7.644 5.517 1.00 55.23 H new ATOM 0 HG21 ILE A 110 -2.552 7.022 3.941 1.00 54.11 H new ATOM 0 HG22 ILE A 110 -2.202 5.331 3.508 1.00 54.11 H new ATOM 0 HG23 ILE A 110 -2.429 5.784 5.214 1.00 54.11 H new ATOM 0 HD11 ILE A 110 -0.681 9.592 5.741 1.00 22.45 H new ATOM 0 HD12 ILE A 110 -0.471 9.163 4.027 1.00 22.45 H new ATOM 0 HD13 ILE A 110 -1.978 8.737 4.873 1.00 22.45 H new ATOM 1697 N HIS A 111 -0.711 3.097 3.826 1.00 53.31 N ATOM 1698 CA HIS A 111 -0.816 2.029 2.849 1.00 31.25 C ATOM 1699 C HIS A 111 -2.165 2.000 2.162 1.00 23.14 C ATOM 1700 O HIS A 111 -3.169 2.461 2.704 1.00 70.02 O ATOM 1701 CB HIS A 111 -0.577 0.666 3.500 1.00 45.00 C ATOM 1702 CG HIS A 111 0.844 0.377 3.840 1.00 22.42 C ATOM 1703 ND1 HIS A 111 1.466 0.280 5.032 1.00 60.43 N flip ATOM 1704 CD2 HIS A 111 1.798 0.104 2.891 1.00 3.25 C flip ATOM 1705 CE1 HIS A 111 2.771 -0.054 4.785 1.00 63.14 C flip ATOM 1706 NE2 HIS A 111 2.944 -0.156 3.487 1.00 40.41 N flip ATOM 0 H HIS A 111 -1.361 3.018 4.608 1.00 53.31 H new ATOM 0 HA HIS A 111 -0.049 2.231 2.102 1.00 31.25 H new ATOM 0 HB2 HIS A 111 -1.174 0.604 4.410 1.00 45.00 H new ATOM 0 HB3 HIS A 111 -0.940 -0.111 2.827 1.00 45.00 H new ATOM 0 HD2 HIS A 111 1.635 0.103 1.823 1.00 3.25 H new ATOM 0 HE1 HIS A 111 3.533 -0.208 5.535 1.00 63.14 H new ATOM 0 HE2 HIS A 111 3.818 -0.396 3.019 1.00 40.41 H new ATOM 1715 N ILE A 112 -2.161 1.455 0.961 1.00 32.01 N ATOM 1716 CA ILE A 112 -3.365 1.202 0.193 1.00 51.24 C ATOM 1717 C ILE A 112 -3.325 -0.258 -0.231 1.00 52.15 C ATOM 1718 O ILE A 112 -2.332 -0.699 -0.817 1.00 42.53 O ATOM 1719 CB ILE A 112 -3.446 2.086 -1.078 1.00 43.34 C ATOM 1720 CG1 ILE A 112 -3.254 3.565 -0.731 1.00 74.12 C ATOM 1721 CG2 ILE A 112 -4.784 1.876 -1.782 1.00 73.32 C ATOM 1722 CD1 ILE A 112 -3.215 4.473 -1.945 1.00 25.51 C ATOM 0 H ILE A 112 -1.306 1.171 0.483 1.00 32.01 H new ATOM 0 HA ILE A 112 -4.234 1.435 0.808 1.00 51.24 H new ATOM 0 HB ILE A 112 -2.642 1.789 -1.751 1.00 43.34 H new ATOM 0 HG12 ILE A 112 -4.064 3.884 -0.075 1.00 74.12 H new ATOM 0 HG13 ILE A 112 -2.326 3.681 -0.171 1.00 74.12 H new ATOM 0 HG21 ILE A 112 -4.829 2.502 -2.673 1.00 73.32 H new ATOM 0 HG22 ILE A 112 -4.884 0.829 -2.069 1.00 73.32 H new ATOM 0 HG23 ILE A 112 -5.596 2.146 -1.107 1.00 73.32 H new ATOM 0 HD11 ILE A 112 -3.077 5.505 -1.623 1.00 25.51 H new ATOM 0 HD12 ILE A 112 -2.388 4.181 -2.592 1.00 25.51 H new ATOM 0 HD13 ILE A 112 -4.153 4.387 -2.494 1.00 25.51 H new ATOM 1734 N ILE A 113 -4.358 -1.013 0.084 1.00 1.45 N ATOM 1735 CA ILE A 113 -4.368 -2.434 -0.223 1.00 33.44 C ATOM 1736 C ILE A 113 -5.442 -2.765 -1.254 1.00 21.33 C ATOM 1737 O ILE A 113 -6.601 -2.386 -1.097 1.00 34.43 O ATOM 1738 CB ILE A 113 -4.614 -3.281 1.049 1.00 62.15 C ATOM 1739 CG1 ILE A 113 -3.711 -2.808 2.194 1.00 14.34 C ATOM 1740 CG2 ILE A 113 -4.369 -4.760 0.758 1.00 12.41 C ATOM 1741 CD1 ILE A 113 -4.013 -3.469 3.525 1.00 15.10 C ATOM 0 H ILE A 113 -5.199 -0.671 0.550 1.00 1.45 H new ATOM 0 HA ILE A 113 -3.387 -2.678 -0.632 1.00 33.44 H new ATOM 0 HB ILE A 113 -5.653 -3.152 1.353 1.00 62.15 H new ATOM 0 HG12 ILE A 113 -2.672 -3.004 1.929 1.00 14.34 H new ATOM 0 HG13 ILE A 113 -3.814 -1.728 2.303 1.00 14.34 H new ATOM 0 HG21 ILE A 113 -4.546 -5.343 1.662 1.00 12.41 H new ATOM 0 HG22 ILE A 113 -5.047 -5.094 -0.027 1.00 12.41 H new ATOM 0 HG23 ILE A 113 -3.339 -4.901 0.431 1.00 12.41 H new ATOM 0 HD11 ILE A 113 -3.334 -3.083 4.285 1.00 15.10 H new ATOM 0 HD12 ILE A 113 -5.041 -3.252 3.814 1.00 15.10 H new ATOM 0 HD13 ILE A 113 -3.881 -4.547 3.434 1.00 15.10 H new ATOM 1753 N LEU A 114 -5.048 -3.467 -2.300 1.00 55.53 N ATOM 1754 CA LEU A 114 -5.972 -3.890 -3.342 1.00 62.32 C ATOM 1755 C LEU A 114 -5.773 -5.362 -3.655 1.00 41.10 C ATOM 1756 O LEU A 114 -4.649 -5.811 -3.875 1.00 60.04 O ATOM 1757 CB LEU A 114 -5.777 -3.060 -4.621 1.00 72.03 C ATOM 1758 CG LEU A 114 -6.529 -3.565 -5.870 1.00 74.03 C ATOM 1759 CD1 LEU A 114 -8.035 -3.466 -5.684 1.00 22.43 C ATOM 1760 CD2 LEU A 114 -6.095 -2.798 -7.106 1.00 34.13 C ATOM 0 H LEU A 114 -4.083 -3.760 -2.453 1.00 55.53 H new ATOM 0 HA LEU A 114 -6.986 -3.732 -2.976 1.00 62.32 H new ATOM 0 HB2 LEU A 114 -6.093 -2.036 -4.419 1.00 72.03 H new ATOM 0 HB3 LEU A 114 -4.712 -3.026 -4.850 1.00 72.03 H new ATOM 0 HG LEU A 114 -6.275 -4.616 -6.008 1.00 74.03 H new ATOM 0 HD11 LEU A 114 -8.537 -3.829 -6.581 1.00 22.43 H new ATOM 0 HD12 LEU A 114 -8.337 -4.071 -4.829 1.00 22.43 H new ATOM 0 HD13 LEU A 114 -8.312 -2.427 -5.509 1.00 22.43 H new ATOM 0 HD21 LEU A 114 -6.638 -3.171 -7.975 1.00 34.13 H new ATOM 0 HD22 LEU A 114 -6.310 -1.738 -6.971 1.00 34.13 H new ATOM 0 HD23 LEU A 114 -5.025 -2.934 -7.261 1.00 34.13 H new ATOM 1772 N ARG A 115 -6.854 -6.111 -3.660 1.00 12.01 N ATOM 1773 CA ARG A 115 -6.790 -7.519 -3.999 1.00 42.43 C ATOM 1774 C ARG A 115 -7.239 -7.741 -5.422 1.00 44.22 C ATOM 1775 O ARG A 115 -8.389 -7.467 -5.765 1.00 1.43 O ATOM 1776 CB ARG A 115 -7.655 -8.352 -3.066 1.00 73.01 C ATOM 1777 CG ARG A 115 -7.080 -8.538 -1.683 1.00 62.45 C ATOM 1778 CD ARG A 115 -7.853 -9.592 -0.920 1.00 11.15 C ATOM 1779 NE ARG A 115 -7.948 -10.844 -1.679 1.00 52.12 N ATOM 1780 CZ ARG A 115 -8.659 -11.900 -1.302 1.00 72.45 C ATOM 1781 NH1 ARG A 115 -9.329 -11.884 -0.155 1.00 5.44 N ATOM 1782 NH2 ARG A 115 -8.711 -12.966 -2.083 1.00 65.52 N ATOM 0 H ARG A 115 -7.788 -5.770 -3.433 1.00 12.01 H new ATOM 0 HA ARG A 115 -5.752 -7.834 -3.890 1.00 42.43 H new ATOM 0 HB2 ARG A 115 -8.633 -7.880 -2.979 1.00 73.01 H new ATOM 0 HB3 ARG A 115 -7.813 -9.332 -3.515 1.00 73.01 H new ATOM 0 HG2 ARG A 115 -6.032 -8.830 -1.755 1.00 62.45 H new ATOM 0 HG3 ARG A 115 -7.111 -7.593 -1.141 1.00 62.45 H new ATOM 0 HD2 ARG A 115 -7.365 -9.781 0.036 1.00 11.15 H new ATOM 0 HD3 ARG A 115 -8.854 -9.222 -0.700 1.00 11.15 H new ATOM 0 HE ARG A 115 -7.432 -10.908 -2.557 1.00 52.12 H new ATOM 0 HH11 ARG A 115 -9.299 -11.057 0.442 1.00 5.44 H new ATOM 0 HH12 ARG A 115 -9.873 -12.698 0.129 1.00 5.44 H new ATOM 0 HH21 ARG A 115 -8.207 -12.974 -2.969 1.00 65.52 H new ATOM 0 HH22 ARG A 115 -9.256 -13.780 -1.799 1.00 65.52 H new ATOM 1796 N THR A 116 -6.344 -8.230 -6.252 1.00 33.22 N ATOM 1797 CA THR A 116 -6.684 -8.509 -7.630 1.00 14.23 C ATOM 1798 C THR A 116 -7.309 -9.896 -7.744 1.00 31.52 C ATOM 1799 O THR A 116 -8.001 -10.205 -8.712 1.00 30.22 O ATOM 1800 CB THR A 116 -5.449 -8.415 -8.547 1.00 33.14 C ATOM 1801 OG1 THR A 116 -4.407 -9.266 -8.048 1.00 63.44 O ATOM 1802 CG2 THR A 116 -4.941 -6.981 -8.624 1.00 75.21 C ATOM 0 H THR A 116 -5.379 -8.442 -5.998 1.00 33.22 H new ATOM 0 HA THR A 116 -7.403 -7.757 -7.955 1.00 14.23 H new ATOM 0 HB THR A 116 -5.739 -8.737 -9.547 1.00 33.14 H new ATOM 0 HG1 THR A 116 -3.625 -9.204 -8.635 1.00 63.44 H new ATOM 0 HG21 THR A 116 -4.069 -6.938 -9.277 1.00 75.21 H new ATOM 0 HG22 THR A 116 -5.725 -6.338 -9.024 1.00 75.21 H new ATOM 0 HG23 THR A 116 -4.665 -6.639 -7.627 1.00 75.21 H new ATOM 1810 N GLU A 117 -7.075 -10.716 -6.733 1.00 40.45 N ATOM 1811 CA GLU A 117 -7.595 -12.061 -6.697 1.00 64.35 C ATOM 1812 C GLU A 117 -7.853 -12.476 -5.262 1.00 4.45 C ATOM 1813 O GLU A 117 -7.097 -12.037 -4.372 1.00 0.00 O ATOM 1814 CB GLU A 117 -6.629 -13.029 -7.385 1.00 72.23 C ATOM 1815 CG GLU A 117 -5.224 -13.018 -6.816 1.00 3.11 C ATOM 1816 CD GLU A 117 -4.247 -13.760 -7.692 1.00 32.21 C ATOM 1817 OE1 GLU A 117 -4.108 -14.985 -7.535 1.00 23.50 O ATOM 1818 OE2 GLU A 117 -3.613 -13.120 -8.548 1.00 65.34 O ATOM 1819 OXT GLU A 117 -8.806 -13.233 -5.021 1.00 0.00 O ATOM 0 H GLU A 117 -6.518 -10.462 -5.917 1.00 40.45 H new ATOM 0 HA GLU A 117 -8.540 -12.091 -7.240 1.00 64.35 H new ATOM 0 HB2 GLU A 117 -7.031 -14.039 -7.310 1.00 72.23 H new ATOM 0 HB3 GLU A 117 -6.581 -12.783 -8.446 1.00 72.23 H new ATOM 0 HG2 GLU A 117 -4.891 -11.987 -6.696 1.00 3.11 H new ATOM 0 HG3 GLU A 117 -5.233 -13.468 -5.823 1.00 3.11 H new TER 1826 GLU A 117