USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=32 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 -16:sc= 0.327 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -2.67! X(o=-2.3!,f=-2) USER MOD Set 2.1: A 65 SER OG : rot -103:sc= 1.42 USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0.854 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Set 4.1: A 17 LYS NZ :NH3+ 180:sc= 1.32 (180deg=0) USER MOD Set 4.2: A 26 SER OG : rot 65:sc= 0.72 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0974 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.843 K(o=0.84,f=-2.7!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.269 K(o=-0.27,f=-1.1) USER MOD Single : A 18 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.016) USER MOD Single : A 19 SER OG : rot 180:sc= 0.517 USER MOD Single : A 20 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.34) USER MOD Single : A 21 SER OG : rot 78:sc= 1.15 USER MOD Single : A 25 SER OG : rot -63:sc= 0.711 USER MOD Single : A 29 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0618 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.663 K(o=0.66,f=0) USER MOD Single : A 46 TYR OH : rot -116:sc= -0.889! USER MOD Single : A 48 GLN : amide:sc= -0.31 K(o=-0.31,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 2.29 (180deg=2.06) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -107:sc= 1.22 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.0438 (180deg=-0.328) USER MOD Single : A 80 SER OG : rot 94:sc= 1.1 USER MOD Single : A 83 GLN : amide:sc=-0.00207 K(o=-0.0021,f=-0.51) USER MOD Single : A 84 MET CE :methyl 143:sc= -0.268 (180deg=-0.896) USER MOD Single : A 85 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.61) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= -0.0157 (180deg=-0.164) USER MOD Single : A 92 SER OG : rot 173:sc= -0.0268 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 173:sc= -1.48 (180deg=-1.78) USER MOD Single : A 101 SER OG : rot -160:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.914 22.784 -11.565 1.00 55.13 N ATOM 2 CA GLY A 1 5.441 23.973 -10.833 1.00 60.01 C ATOM 3 C GLY A 1 6.523 24.564 -9.965 1.00 30.44 C ATOM 4 O GLY A 1 7.669 24.108 -10.001 1.00 34.01 O ATOM 0 H1 GLY A 1 5.783 22.930 -12.586 1.00 55.13 H new ATOM 0 H2 GLY A 1 6.923 22.631 -11.364 1.00 55.13 H new ATOM 0 H3 GLY A 1 5.370 21.951 -11.262 1.00 55.13 H new ATOM 0 HA2 GLY A 1 5.095 24.723 -11.544 1.00 60.01 H new ATOM 0 HA3 GLY A 1 4.586 23.702 -10.214 1.00 60.01 H new ATOM 10 N SER A 2 6.167 25.573 -9.177 1.00 40.31 N ATOM 11 CA SER A 2 7.113 26.237 -8.291 1.00 22.55 C ATOM 12 C SER A 2 7.577 25.286 -7.189 1.00 21.25 C ATOM 13 O SER A 2 8.721 25.346 -6.739 1.00 41.25 O ATOM 14 CB SER A 2 6.466 27.477 -7.681 1.00 2.31 C ATOM 15 OG SER A 2 5.901 28.300 -8.694 1.00 5.23 O ATOM 0 H SER A 2 5.220 25.951 -9.135 1.00 40.31 H new ATOM 0 HA SER A 2 7.985 26.538 -8.872 1.00 22.55 H new ATOM 0 HB2 SER A 2 5.692 27.179 -6.974 1.00 2.31 H new ATOM 0 HB3 SER A 2 7.210 28.042 -7.119 1.00 2.31 H new ATOM 0 HG SER A 2 5.490 29.089 -8.283 1.00 5.23 H new ATOM 21 N HIS A 3 6.688 24.409 -6.774 1.00 13.44 N ATOM 22 CA HIS A 3 6.992 23.437 -5.747 1.00 15.10 C ATOM 23 C HIS A 3 7.382 22.118 -6.390 1.00 30.35 C ATOM 24 O HIS A 3 6.690 21.631 -7.287 1.00 51.12 O ATOM 25 CB HIS A 3 5.770 23.237 -4.832 1.00 12.42 C ATOM 26 CG HIS A 3 6.000 22.287 -3.688 1.00 21.44 C ATOM 27 ND1 HIS A 3 5.594 20.969 -3.704 1.00 62.33 N ATOM 28 CD2 HIS A 3 6.590 22.478 -2.488 1.00 72.12 C ATOM 29 CE1 HIS A 3 5.925 20.395 -2.562 1.00 64.12 C ATOM 30 NE2 HIS A 3 6.532 21.288 -1.807 1.00 41.33 N ATOM 0 H HIS A 3 5.737 24.350 -7.138 1.00 13.44 H new ATOM 0 HA HIS A 3 7.825 23.801 -5.146 1.00 15.10 H new ATOM 0 HB2 HIS A 3 5.470 24.205 -4.430 1.00 12.42 H new ATOM 0 HB3 HIS A 3 4.938 22.869 -5.432 1.00 12.42 H new ATOM 0 HD1 HIS A 3 5.113 20.509 -4.477 1.00 62.33 H new ATOM 0 HD2 HIS A 3 7.027 23.398 -2.130 1.00 72.12 H new ATOM 0 HE1 HIS A 3 5.731 19.367 -2.292 1.00 64.12 H new ATOM 39 N MET A 4 8.491 21.553 -5.954 1.00 73.21 N ATOM 40 CA MET A 4 8.923 20.269 -6.462 1.00 42.03 C ATOM 41 C MET A 4 8.073 19.176 -5.859 1.00 12.04 C ATOM 42 O MET A 4 7.905 19.118 -4.635 1.00 62.31 O ATOM 43 CB MET A 4 10.404 20.014 -6.168 1.00 3.22 C ATOM 44 CG MET A 4 11.350 20.876 -6.985 1.00 50.10 C ATOM 45 SD MET A 4 13.083 20.456 -6.717 1.00 22.44 S ATOM 46 CE MET A 4 13.879 21.597 -7.847 1.00 50.45 C ATOM 0 H MET A 4 9.107 21.963 -5.251 1.00 73.21 H new ATOM 0 HA MET A 4 8.801 20.272 -7.545 1.00 42.03 H new ATOM 0 HB2 MET A 4 10.590 20.191 -5.109 1.00 3.22 H new ATOM 0 HB3 MET A 4 10.627 18.964 -6.360 1.00 3.22 H new ATOM 0 HG2 MET A 4 11.113 20.765 -8.043 1.00 50.10 H new ATOM 0 HG3 MET A 4 11.191 21.924 -6.731 1.00 50.10 H new ATOM 0 HE1 MET A 4 14.960 21.462 -7.799 1.00 50.45 H new ATOM 0 HE2 MET A 4 13.534 21.404 -8.863 1.00 50.45 H new ATOM 0 HE3 MET A 4 13.628 22.620 -7.567 1.00 50.45 H new ATOM 56 N GLU A 5 7.530 18.327 -6.725 1.00 44.22 N ATOM 57 CA GLU A 5 6.643 17.226 -6.335 1.00 44.32 C ATOM 58 C GLU A 5 5.270 17.774 -5.922 1.00 5.42 C ATOM 59 O GLU A 5 5.153 18.935 -5.509 1.00 5.23 O ATOM 60 CB GLU A 5 7.247 16.373 -5.196 1.00 3.54 C ATOM 61 CG GLU A 5 8.705 15.976 -5.406 1.00 33.43 C ATOM 62 CD GLU A 5 8.943 15.235 -6.699 1.00 11.44 C ATOM 63 OE1 GLU A 5 9.111 15.898 -7.748 1.00 50.41 O ATOM 64 OE2 GLU A 5 8.988 13.988 -6.676 1.00 34.10 O ATOM 0 H GLU A 5 7.693 18.381 -7.731 1.00 44.22 H new ATOM 0 HA GLU A 5 6.525 16.575 -7.201 1.00 44.32 H new ATOM 0 HB2 GLU A 5 7.166 16.928 -4.262 1.00 3.54 H new ATOM 0 HB3 GLU A 5 6.650 15.468 -5.082 1.00 3.54 H new ATOM 0 HG2 GLU A 5 9.324 16.873 -5.390 1.00 33.43 H new ATOM 0 HG3 GLU A 5 9.028 15.351 -4.573 1.00 33.43 H new ATOM 71 N PRO A 6 4.213 16.967 -6.060 1.00 1.11 N ATOM 72 CA PRO A 6 2.865 17.370 -5.658 1.00 60.01 C ATOM 73 C PRO A 6 2.814 17.748 -4.179 1.00 33.04 C ATOM 74 O PRO A 6 3.293 17.001 -3.324 1.00 25.23 O ATOM 75 CB PRO A 6 2.025 16.113 -5.913 1.00 73.51 C ATOM 76 CG PRO A 6 2.797 15.336 -6.919 1.00 50.03 C ATOM 77 CD PRO A 6 4.237 15.609 -6.629 1.00 75.53 C ATOM 0 HA PRO A 6 2.514 18.246 -6.203 1.00 60.01 H new ATOM 0 HB2 PRO A 6 1.882 15.541 -4.996 1.00 73.51 H new ATOM 0 HB3 PRO A 6 1.034 16.369 -6.287 1.00 73.51 H new ATOM 0 HG2 PRO A 6 2.578 14.271 -6.842 1.00 50.03 H new ATOM 0 HG3 PRO A 6 2.538 15.642 -7.932 1.00 50.03 H new ATOM 0 HD2 PRO A 6 4.651 14.885 -5.927 1.00 75.53 H new ATOM 0 HD3 PRO A 6 4.846 15.561 -7.532 1.00 75.53 H new ATOM 85 N ALA A 7 2.256 18.917 -3.885 1.00 23.31 N ATOM 86 CA ALA A 7 2.148 19.380 -2.512 1.00 62.11 C ATOM 87 C ALA A 7 1.172 18.512 -1.733 1.00 3.33 C ATOM 88 O ALA A 7 1.528 17.925 -0.718 1.00 23.31 O ATOM 89 CB ALA A 7 1.725 20.840 -2.468 1.00 71.55 C ATOM 0 H ALA A 7 1.873 19.558 -4.580 1.00 23.31 H new ATOM 0 HA ALA A 7 3.129 19.298 -2.044 1.00 62.11 H new ATOM 0 HB1 ALA A 7 1.650 21.166 -1.431 1.00 71.55 H new ATOM 0 HB2 ALA A 7 2.465 21.449 -2.987 1.00 71.55 H new ATOM 0 HB3 ALA A 7 0.756 20.953 -2.954 1.00 71.55 H new ATOM 95 N ARG A 8 -0.052 18.439 -2.212 1.00 64.43 N ATOM 96 CA ARG A 8 -1.066 17.603 -1.593 1.00 0.11 C ATOM 97 C ARG A 8 -1.322 16.395 -2.455 1.00 4.14 C ATOM 98 O ARG A 8 -1.313 16.497 -3.686 1.00 52.12 O ATOM 99 CB ARG A 8 -2.370 18.368 -1.409 1.00 44.15 C ATOM 100 CG ARG A 8 -2.308 19.486 -0.395 1.00 4.24 C ATOM 101 CD ARG A 8 -3.673 20.115 -0.219 1.00 64.30 C ATOM 102 NE ARG A 8 -3.688 21.117 0.838 1.00 11.30 N ATOM 103 CZ ARG A 8 -4.777 21.458 1.523 1.00 61.41 C ATOM 104 NH1 ARG A 8 -5.944 20.887 1.241 1.00 73.11 N ATOM 105 NH2 ARG A 8 -4.701 22.374 2.481 1.00 50.31 N ATOM 0 H ARG A 8 -0.373 18.951 -3.034 1.00 64.43 H new ATOM 0 HA ARG A 8 -0.700 17.295 -0.614 1.00 0.11 H new ATOM 0 HB2 ARG A 8 -2.670 18.784 -2.371 1.00 44.15 H new ATOM 0 HB3 ARG A 8 -3.148 17.666 -1.109 1.00 44.15 H new ATOM 0 HG2 ARG A 8 -1.953 19.100 0.560 1.00 4.24 H new ATOM 0 HG3 ARG A 8 -1.592 20.241 -0.720 1.00 4.24 H new ATOM 0 HD2 ARG A 8 -3.982 20.575 -1.157 1.00 64.30 H new ATOM 0 HD3 ARG A 8 -4.402 19.338 0.010 1.00 64.30 H new ATOM 0 HE ARG A 8 -2.811 21.585 1.067 1.00 11.30 H new ATOM 0 HH11 ARG A 8 -6.004 20.188 0.500 1.00 73.11 H new ATOM 0 HH12 ARG A 8 -6.779 21.148 1.765 1.00 73.11 H new ATOM 0 HH21 ARG A 8 -3.807 22.817 2.693 1.00 50.31 H new ATOM 0 HH22 ARG A 8 -5.536 22.634 3.005 1.00 50.31 H new ATOM 119 N VAL A 9 -1.540 15.257 -1.831 1.00 71.24 N ATOM 120 CA VAL A 9 -1.817 14.042 -2.570 1.00 52.24 C ATOM 121 C VAL A 9 -2.910 13.222 -1.900 1.00 71.10 C ATOM 122 O VAL A 9 -2.874 12.988 -0.687 1.00 32.41 O ATOM 123 CB VAL A 9 -0.548 13.147 -2.734 1.00 71.44 C ATOM 124 CG1 VAL A 9 0.491 13.823 -3.611 1.00 53.15 C ATOM 125 CG2 VAL A 9 0.058 12.798 -1.381 1.00 61.21 C ATOM 0 H VAL A 9 -1.531 15.147 -0.817 1.00 71.24 H new ATOM 0 HA VAL A 9 -2.151 14.361 -3.557 1.00 52.24 H new ATOM 0 HB VAL A 9 -0.863 12.224 -3.220 1.00 71.44 H new ATOM 0 HG11 VAL A 9 1.363 13.176 -3.707 1.00 53.15 H new ATOM 0 HG12 VAL A 9 0.068 14.010 -4.598 1.00 53.15 H new ATOM 0 HG13 VAL A 9 0.789 14.769 -3.159 1.00 53.15 H new ATOM 0 HG21 VAL A 9 0.940 12.174 -1.527 1.00 61.21 H new ATOM 0 HG22 VAL A 9 0.343 13.714 -0.863 1.00 61.21 H new ATOM 0 HG23 VAL A 9 -0.675 12.256 -0.783 1.00 61.21 H new ATOM 135 N ARG A 10 -3.902 12.832 -2.674 1.00 1.22 N ATOM 136 CA ARG A 10 -4.902 11.910 -2.193 1.00 34.43 C ATOM 137 C ARG A 10 -4.558 10.541 -2.720 1.00 74.11 C ATOM 138 O ARG A 10 -4.708 10.262 -3.920 1.00 75.04 O ATOM 139 CB ARG A 10 -6.326 12.332 -2.617 1.00 22.42 C ATOM 140 CG ARG A 10 -7.435 11.387 -2.135 1.00 22.42 C ATOM 141 CD ARG A 10 -7.731 10.282 -3.146 1.00 43.15 C ATOM 142 NE ARG A 10 -8.492 9.175 -2.554 1.00 63.41 N ATOM 143 CZ ARG A 10 -9.505 8.532 -3.151 1.00 3.00 C ATOM 144 NH1 ARG A 10 -9.977 8.951 -4.320 1.00 12.23 N ATOM 145 NH2 ARG A 10 -10.052 7.479 -2.555 1.00 72.11 N ATOM 0 H ARG A 10 -4.035 13.140 -3.637 1.00 1.22 H new ATOM 0 HA ARG A 10 -4.901 11.906 -1.103 1.00 34.43 H new ATOM 0 HB2 ARG A 10 -6.525 13.333 -2.233 1.00 22.42 H new ATOM 0 HB3 ARG A 10 -6.365 12.394 -3.705 1.00 22.42 H new ATOM 0 HG2 ARG A 10 -7.141 10.939 -1.186 1.00 22.42 H new ATOM 0 HG3 ARG A 10 -8.343 11.960 -1.950 1.00 22.42 H new ATOM 0 HD2 ARG A 10 -8.291 10.699 -3.983 1.00 43.15 H new ATOM 0 HD3 ARG A 10 -6.793 9.901 -3.549 1.00 43.15 H new ATOM 0 HE ARG A 10 -8.230 8.872 -1.616 1.00 63.41 H new ATOM 0 HH11 ARG A 10 -9.568 9.769 -4.771 1.00 12.23 H new ATOM 0 HH12 ARG A 10 -10.748 8.455 -4.766 1.00 12.23 H new ATOM 0 HH21 ARG A 10 -9.701 7.166 -1.650 1.00 72.11 H new ATOM 0 HH22 ARG A 10 -10.823 6.984 -3.002 1.00 72.11 H new ATOM 159 N CYS A 11 -4.088 9.693 -1.840 1.00 74.51 N ATOM 160 CA CYS A 11 -3.650 8.383 -2.235 1.00 44.11 C ATOM 161 C CYS A 11 -4.201 7.315 -1.312 1.00 40.12 C ATOM 162 O CYS A 11 -4.369 7.535 -0.105 1.00 41.31 O ATOM 163 CB CYS A 11 -2.116 8.323 -2.245 1.00 73.53 C ATOM 164 SG CYS A 11 -1.320 9.560 -3.306 1.00 41.12 S ATOM 0 H CYS A 11 -4.000 9.890 -0.843 1.00 74.51 H new ATOM 0 HA CYS A 11 -4.028 8.191 -3.239 1.00 44.11 H new ATOM 0 HB2 CYS A 11 -1.754 8.451 -1.225 1.00 73.53 H new ATOM 0 HB3 CYS A 11 -1.806 7.330 -2.571 1.00 73.53 H new ATOM 0 HG CYS A 11 -0.029 9.423 -3.239 1.00 41.12 H new ATOM 170 N SER A 12 -4.502 6.176 -1.887 1.00 45.44 N ATOM 171 CA SER A 12 -4.951 5.034 -1.136 1.00 62.31 C ATOM 172 C SER A 12 -3.792 4.041 -1.021 1.00 52.35 C ATOM 173 O SER A 12 -2.875 4.059 -1.850 1.00 62.41 O ATOM 174 CB SER A 12 -6.163 4.404 -1.823 1.00 21.31 C ATOM 175 OG SER A 12 -7.200 5.364 -1.983 1.00 73.15 O ATOM 0 H SER A 12 -4.441 6.017 -2.893 1.00 45.44 H new ATOM 0 HA SER A 12 -5.260 5.332 -0.134 1.00 62.31 H new ATOM 0 HB2 SER A 12 -5.872 4.009 -2.796 1.00 21.31 H new ATOM 0 HB3 SER A 12 -6.526 3.563 -1.233 1.00 21.31 H new ATOM 0 HG SER A 12 -7.968 4.946 -2.425 1.00 73.15 H new ATOM 181 N HIS A 13 -3.815 3.197 -0.006 1.00 55.33 N ATOM 182 CA HIS A 13 -2.707 2.284 0.234 1.00 2.52 C ATOM 183 C HIS A 13 -3.168 0.878 0.612 1.00 74.21 C ATOM 184 O HIS A 13 -4.134 0.700 1.349 1.00 21.00 O ATOM 185 CB HIS A 13 -1.782 2.838 1.334 1.00 34.22 C ATOM 186 CG HIS A 13 -2.485 3.142 2.630 1.00 73.11 C ATOM 187 ND1 HIS A 13 -2.897 2.171 3.515 1.00 50.52 N ATOM 188 CD2 HIS A 13 -2.867 4.319 3.174 1.00 43.12 C ATOM 189 CE1 HIS A 13 -3.500 2.734 4.537 1.00 44.02 C ATOM 190 NE2 HIS A 13 -3.497 4.036 4.359 1.00 4.40 N ATOM 0 H HIS A 13 -4.582 3.123 0.663 1.00 55.33 H new ATOM 0 HA HIS A 13 -2.161 2.206 -0.706 1.00 2.52 H new ATOM 0 HB2 HIS A 13 -0.988 2.116 1.524 1.00 34.22 H new ATOM 0 HB3 HIS A 13 -1.305 3.748 0.969 1.00 34.22 H new ATOM 0 HD1 HIS A 13 -2.756 1.168 3.395 1.00 50.52 H new ATOM 0 HD2 HIS A 13 -2.706 5.301 2.753 1.00 43.12 H new ATOM 0 HE1 HIS A 13 -3.927 2.214 5.382 1.00 44.02 H new ATOM 199 N LEU A 14 -2.449 -0.102 0.104 1.00 74.24 N ATOM 200 CA LEU A 14 -2.693 -1.502 0.417 1.00 1.24 C ATOM 201 C LEU A 14 -1.468 -2.035 1.160 1.00 41.20 C ATOM 202 O LEU A 14 -0.343 -1.629 0.859 1.00 62.31 O ATOM 203 CB LEU A 14 -2.941 -2.293 -0.892 1.00 42.10 C ATOM 204 CG LEU A 14 -3.519 -3.716 -0.760 1.00 21.41 C ATOM 205 CD1 LEU A 14 -4.162 -4.141 -2.070 1.00 13.23 C ATOM 206 CD2 LEU A 14 -2.438 -4.715 -0.379 1.00 41.55 C ATOM 0 H LEU A 14 -1.674 0.048 -0.542 1.00 74.24 H new ATOM 0 HA LEU A 14 -3.577 -1.614 1.044 1.00 1.24 H new ATOM 0 HB2 LEU A 14 -3.619 -1.710 -1.515 1.00 42.10 H new ATOM 0 HB3 LEU A 14 -1.995 -2.362 -1.429 1.00 42.10 H new ATOM 0 HG LEU A 14 -4.270 -3.701 0.030 1.00 21.41 H new ATOM 0 HD11 LEU A 14 -4.567 -5.148 -1.967 1.00 13.23 H new ATOM 0 HD12 LEU A 14 -4.966 -3.450 -2.321 1.00 13.23 H new ATOM 0 HD13 LEU A 14 -3.414 -4.131 -2.863 1.00 13.23 H new ATOM 0 HD21 LEU A 14 -2.876 -5.710 -0.293 1.00 41.55 H new ATOM 0 HD22 LEU A 14 -1.664 -4.724 -1.147 1.00 41.55 H new ATOM 0 HD23 LEU A 14 -1.998 -4.429 0.576 1.00 41.55 H new ATOM 218 N LEU A 15 -1.676 -2.905 2.134 1.00 74.25 N ATOM 219 CA LEU A 15 -0.565 -3.437 2.911 1.00 23.44 C ATOM 220 C LEU A 15 -0.565 -4.953 2.933 1.00 32.40 C ATOM 221 O LEU A 15 -1.558 -5.584 3.311 1.00 55.31 O ATOM 222 CB LEU A 15 -0.595 -2.895 4.348 1.00 52.11 C ATOM 223 CG LEU A 15 0.389 -3.553 5.340 1.00 42.14 C ATOM 224 CD1 LEU A 15 1.830 -3.381 4.884 1.00 40.01 C ATOM 225 CD2 LEU A 15 0.202 -2.983 6.738 1.00 50.43 C ATOM 0 H LEU A 15 -2.594 -3.256 2.405 1.00 74.25 H new ATOM 0 HA LEU A 15 0.352 -3.107 2.423 1.00 23.44 H new ATOM 0 HB2 LEU A 15 -0.387 -1.825 4.316 1.00 52.11 H new ATOM 0 HB3 LEU A 15 -1.606 -3.012 4.738 1.00 52.11 H new ATOM 0 HG LEU A 15 0.170 -4.620 5.367 1.00 42.14 H new ATOM 0 HD11 LEU A 15 2.498 -3.855 5.603 1.00 40.01 H new ATOM 0 HD12 LEU A 15 1.960 -3.846 3.907 1.00 40.01 H new ATOM 0 HD13 LEU A 15 2.066 -2.319 4.815 1.00 40.01 H new ATOM 0 HD21 LEU A 15 0.904 -3.459 7.422 1.00 50.43 H new ATOM 0 HD22 LEU A 15 0.385 -1.909 6.720 1.00 50.43 H new ATOM 0 HD23 LEU A 15 -0.817 -3.172 7.075 1.00 50.43 H new ATOM 237 N VAL A 16 0.550 -5.526 2.521 1.00 74.34 N ATOM 238 CA VAL A 16 0.745 -6.955 2.576 1.00 43.35 C ATOM 239 C VAL A 16 1.830 -7.269 3.593 1.00 22.44 C ATOM 240 O VAL A 16 2.979 -6.821 3.459 1.00 43.21 O ATOM 241 CB VAL A 16 1.132 -7.546 1.200 1.00 54.20 C ATOM 242 CG1 VAL A 16 1.451 -9.029 1.319 1.00 25.30 C ATOM 243 CG2 VAL A 16 0.010 -7.334 0.199 1.00 32.04 C ATOM 0 H VAL A 16 1.343 -5.011 2.140 1.00 74.34 H new ATOM 0 HA VAL A 16 -0.200 -7.412 2.871 1.00 43.35 H new ATOM 0 HB VAL A 16 2.024 -7.028 0.847 1.00 54.20 H new ATOM 0 HG11 VAL A 16 1.720 -9.423 0.339 1.00 25.30 H new ATOM 0 HG12 VAL A 16 2.284 -9.168 2.008 1.00 25.30 H new ATOM 0 HG13 VAL A 16 0.577 -9.560 1.696 1.00 25.30 H new ATOM 0 HG21 VAL A 16 0.297 -7.755 -0.764 1.00 32.04 H new ATOM 0 HG22 VAL A 16 -0.894 -7.828 0.556 1.00 32.04 H new ATOM 0 HG23 VAL A 16 -0.180 -6.267 0.086 1.00 32.04 H new ATOM 253 N LYS A 17 1.464 -8.004 4.615 1.00 53.31 N ATOM 254 CA LYS A 17 2.390 -8.354 5.670 1.00 12.34 C ATOM 255 C LYS A 17 3.173 -9.613 5.323 1.00 41.54 C ATOM 256 O LYS A 17 3.078 -10.146 4.215 1.00 21.44 O ATOM 257 CB LYS A 17 1.647 -8.563 6.988 1.00 54.25 C ATOM 258 CG LYS A 17 0.940 -7.328 7.511 1.00 31.33 C ATOM 259 CD LYS A 17 0.167 -7.647 8.777 1.00 5.44 C ATOM 260 CE LYS A 17 -0.633 -6.454 9.262 1.00 15.21 C ATOM 261 NZ LYS A 17 -1.469 -6.802 10.436 1.00 74.42 N ATOM 0 H LYS A 17 0.522 -8.375 4.741 1.00 53.31 H new ATOM 0 HA LYS A 17 3.092 -7.527 5.778 1.00 12.34 H new ATOM 0 HB2 LYS A 17 0.913 -9.358 6.855 1.00 54.25 H new ATOM 0 HB3 LYS A 17 2.357 -8.907 7.741 1.00 54.25 H new ATOM 0 HG2 LYS A 17 1.669 -6.544 7.713 1.00 31.33 H new ATOM 0 HG3 LYS A 17 0.260 -6.943 6.751 1.00 31.33 H new ATOM 0 HD2 LYS A 17 -0.505 -8.485 8.591 1.00 5.44 H new ATOM 0 HD3 LYS A 17 0.860 -7.962 9.557 1.00 5.44 H new ATOM 0 HE2 LYS A 17 0.045 -5.642 9.525 1.00 15.21 H new ATOM 0 HE3 LYS A 17 -1.270 -6.089 8.456 1.00 15.21 H new ATOM 0 HZ1 LYS A 17 -2.003 -5.964 10.742 1.00 74.42 H new ATOM 0 HZ2 LYS A 17 -2.132 -7.560 10.177 1.00 74.42 H new ATOM 0 HZ3 LYS A 17 -0.859 -7.127 11.213 1.00 74.42 H new ATOM 275 N HIS A 18 3.949 -10.070 6.284 1.00 32.53 N ATOM 276 CA HIS A 18 4.755 -11.264 6.159 1.00 34.14 C ATOM 277 C HIS A 18 5.120 -11.746 7.550 1.00 53.31 C ATOM 278 O HIS A 18 4.830 -11.054 8.526 1.00 24.12 O ATOM 279 CB HIS A 18 6.013 -11.018 5.288 1.00 52.43 C ATOM 280 CG HIS A 18 6.907 -9.903 5.756 1.00 21.01 C ATOM 281 ND1 HIS A 18 8.232 -10.087 6.073 1.00 72.33 N ATOM 282 CD2 HIS A 18 6.667 -8.581 5.924 1.00 62.34 C ATOM 283 CE1 HIS A 18 8.764 -8.932 6.417 1.00 31.44 C ATOM 284 NE2 HIS A 18 7.837 -8.006 6.333 1.00 41.55 N ATOM 0 H HIS A 18 4.038 -9.612 7.191 1.00 32.53 H new ATOM 0 HA HIS A 18 4.181 -12.037 5.647 1.00 34.14 H new ATOM 0 HB2 HIS A 18 6.596 -11.938 5.251 1.00 52.43 H new ATOM 0 HB3 HIS A 18 5.693 -10.802 4.269 1.00 52.43 H new ATOM 0 HD2 HIS A 18 5.726 -8.075 5.764 1.00 62.34 H new ATOM 0 HE1 HIS A 18 9.789 -8.774 6.717 1.00 31.44 H new ATOM 0 HE2 HIS A 18 7.969 -7.016 6.540 1.00 41.55 H new ATOM 293 N SER A 19 5.739 -12.912 7.647 1.00 50.23 N ATOM 294 CA SER A 19 6.081 -13.498 8.942 1.00 32.35 C ATOM 295 C SER A 19 6.896 -12.529 9.813 1.00 15.30 C ATOM 296 O SER A 19 6.639 -12.389 11.010 1.00 64.20 O ATOM 297 CB SER A 19 6.842 -14.805 8.737 1.00 4.24 C ATOM 298 OG SER A 19 6.117 -15.678 7.883 1.00 34.14 O ATOM 0 H SER A 19 6.017 -13.476 6.844 1.00 50.23 H new ATOM 0 HA SER A 19 5.151 -13.703 9.472 1.00 32.35 H new ATOM 0 HB2 SER A 19 7.822 -14.598 8.307 1.00 4.24 H new ATOM 0 HB3 SER A 19 7.012 -15.288 9.699 1.00 4.24 H new ATOM 0 HG SER A 19 6.621 -16.510 7.762 1.00 34.14 H new ATOM 304 N GLN A 20 7.853 -11.849 9.203 1.00 32.24 N ATOM 305 CA GLN A 20 8.696 -10.894 9.917 1.00 25.23 C ATOM 306 C GLN A 20 8.075 -9.493 9.930 1.00 30.33 C ATOM 307 O GLN A 20 8.698 -8.519 9.505 1.00 14.42 O ATOM 308 CB GLN A 20 10.093 -10.850 9.291 1.00 41.54 C ATOM 309 CG GLN A 20 10.872 -12.145 9.436 1.00 35.12 C ATOM 310 CD GLN A 20 11.111 -12.514 10.884 1.00 75.21 C ATOM 311 OE1 GLN A 20 10.302 -13.210 11.501 1.00 24.04 O ATOM 312 NE2 GLN A 20 12.213 -12.051 11.436 1.00 25.35 N ATOM 0 H GLN A 20 8.069 -11.939 8.210 1.00 32.24 H new ATOM 0 HA GLN A 20 8.778 -11.230 10.951 1.00 25.23 H new ATOM 0 HB2 GLN A 20 9.999 -10.611 8.232 1.00 41.54 H new ATOM 0 HB3 GLN A 20 10.662 -10.042 9.751 1.00 41.54 H new ATOM 0 HG2 GLN A 20 10.328 -12.951 8.943 1.00 35.12 H new ATOM 0 HG3 GLN A 20 11.830 -12.049 8.925 1.00 35.12 H new ATOM 0 HE21 GLN A 20 12.856 -11.478 10.889 1.00 25.35 H new ATOM 0 HE22 GLN A 20 12.424 -12.265 12.411 1.00 25.35 H new ATOM 321 N SER A 21 6.850 -9.398 10.404 1.00 41.42 N ATOM 322 CA SER A 21 6.173 -8.119 10.492 1.00 43.35 C ATOM 323 C SER A 21 6.074 -7.685 11.952 1.00 51.41 C ATOM 324 O SER A 21 6.370 -8.467 12.860 1.00 3.01 O ATOM 325 CB SER A 21 4.775 -8.210 9.862 1.00 73.31 C ATOM 326 OG SER A 21 4.167 -6.929 9.762 1.00 31.12 O ATOM 0 H SER A 21 6.301 -10.192 10.735 1.00 41.42 H new ATOM 0 HA SER A 21 6.748 -7.375 9.942 1.00 43.35 H new ATOM 0 HB2 SER A 21 4.849 -8.658 8.871 1.00 73.31 H new ATOM 0 HB3 SER A 21 4.146 -8.867 10.462 1.00 73.31 H new ATOM 0 HG SER A 21 4.550 -6.444 9.001 1.00 31.12 H new ATOM 332 N ARG A 22 5.662 -6.443 12.170 1.00 52.12 N ATOM 333 CA ARG A 22 5.515 -5.907 13.516 1.00 1.23 C ATOM 334 C ARG A 22 4.289 -6.512 14.184 1.00 13.32 C ATOM 335 O ARG A 22 4.238 -6.673 15.401 1.00 55.43 O ATOM 336 CB ARG A 22 5.381 -4.383 13.470 1.00 71.11 C ATOM 337 CG ARG A 22 5.454 -3.702 14.836 1.00 64.13 C ATOM 338 CD ARG A 22 6.888 -3.621 15.355 1.00 33.42 C ATOM 339 NE ARG A 22 7.490 -4.941 15.566 1.00 53.13 N ATOM 340 CZ ARG A 22 8.701 -5.293 15.127 1.00 42.44 C ATOM 341 NH1 ARG A 22 9.456 -4.418 14.473 1.00 24.33 N ATOM 342 NH2 ARG A 22 9.157 -6.515 15.353 1.00 14.23 N ATOM 0 H ARG A 22 5.423 -5.785 11.428 1.00 52.12 H new ATOM 0 HA ARG A 22 6.403 -6.165 14.093 1.00 1.23 H new ATOM 0 HB2 ARG A 22 6.169 -3.980 12.834 1.00 71.11 H new ATOM 0 HB3 ARG A 22 4.431 -4.128 13.001 1.00 71.11 H new ATOM 0 HG2 ARG A 22 5.037 -2.698 14.764 1.00 64.13 H new ATOM 0 HG3 ARG A 22 4.840 -4.252 15.549 1.00 64.13 H new ATOM 0 HD2 ARG A 22 7.495 -3.059 14.646 1.00 33.42 H new ATOM 0 HD3 ARG A 22 6.899 -3.067 16.294 1.00 33.42 H new ATOM 0 HE ARG A 22 6.949 -5.635 16.081 1.00 53.13 H new ATOM 0 HH11 ARG A 22 9.112 -3.473 14.304 1.00 24.33 H new ATOM 0 HH12 ARG A 22 10.380 -4.691 14.139 1.00 24.33 H new ATOM 0 HH21 ARG A 22 8.583 -7.187 15.862 1.00 14.23 H new ATOM 0 HH22 ARG A 22 10.082 -6.784 15.018 1.00 14.23 H new ATOM 356 N ARG A 23 3.304 -6.841 13.373 1.00 22.14 N ATOM 357 CA ARG A 23 2.083 -7.450 13.851 1.00 53.32 C ATOM 358 C ARG A 23 1.710 -8.619 12.945 1.00 23.12 C ATOM 359 O ARG A 23 1.074 -8.433 11.907 1.00 62.42 O ATOM 360 CB ARG A 23 0.947 -6.414 13.899 1.00 75.11 C ATOM 361 CG ARG A 23 -0.400 -6.963 14.369 1.00 62.21 C ATOM 362 CD ARG A 23 -0.347 -7.458 15.808 1.00 61.03 C ATOM 363 NE ARG A 23 -0.024 -6.386 16.753 1.00 73.31 N ATOM 364 CZ ARG A 23 -0.188 -6.473 18.077 1.00 54.30 C ATOM 365 NH1 ARG A 23 -0.731 -7.557 18.610 1.00 24.23 N ATOM 366 NH2 ARG A 23 0.168 -5.463 18.861 1.00 44.22 N ATOM 0 H ARG A 23 3.329 -6.693 12.364 1.00 22.14 H new ATOM 0 HA ARG A 23 2.240 -7.822 14.863 1.00 53.32 H new ATOM 0 HB2 ARG A 23 1.243 -5.601 14.561 1.00 75.11 H new ATOM 0 HB3 ARG A 23 0.822 -5.986 12.904 1.00 75.11 H new ATOM 0 HG2 ARG A 23 -1.158 -6.185 14.282 1.00 62.21 H new ATOM 0 HG3 ARG A 23 -0.705 -7.781 13.716 1.00 62.21 H new ATOM 0 HD2 ARG A 23 -1.308 -7.897 16.075 1.00 61.03 H new ATOM 0 HD3 ARG A 23 0.398 -8.249 15.891 1.00 61.03 H new ATOM 0 HE ARG A 23 0.351 -5.516 16.376 1.00 73.31 H new ATOM 0 HH11 ARG A 23 -1.025 -8.328 18.010 1.00 24.23 H new ATOM 0 HH12 ARG A 23 -0.855 -7.621 19.620 1.00 24.23 H new ATOM 0 HH21 ARG A 23 0.568 -4.618 18.454 1.00 44.22 H new ATOM 0 HH22 ARG A 23 0.042 -5.532 19.871 1.00 44.22 H new ATOM 380 N PRO A 24 2.115 -9.844 13.324 1.00 62.11 N ATOM 381 CA PRO A 24 1.852 -11.055 12.536 1.00 11.43 C ATOM 382 C PRO A 24 0.433 -11.582 12.741 1.00 44.13 C ATOM 383 O PRO A 24 0.188 -12.785 12.701 1.00 13.22 O ATOM 384 CB PRO A 24 2.871 -12.046 13.094 1.00 74.43 C ATOM 385 CG PRO A 24 3.028 -11.648 14.520 1.00 21.22 C ATOM 386 CD PRO A 24 2.873 -10.148 14.558 1.00 51.35 C ATOM 0 HA PRO A 24 1.937 -10.880 11.464 1.00 11.43 H new ATOM 0 HB2 PRO A 24 2.517 -13.073 13.004 1.00 74.43 H new ATOM 0 HB3 PRO A 24 3.818 -11.987 12.558 1.00 74.43 H new ATOM 0 HG2 PRO A 24 2.277 -12.133 15.144 1.00 21.22 H new ATOM 0 HG3 PRO A 24 4.003 -11.948 14.903 1.00 21.22 H new ATOM 0 HD2 PRO A 24 2.335 -9.823 15.449 1.00 51.35 H new ATOM 0 HD3 PRO A 24 3.840 -9.645 14.568 1.00 51.35 H new ATOM 394 N SER A 25 -0.492 -10.675 12.943 1.00 15.45 N ATOM 395 CA SER A 25 -1.876 -11.015 13.154 1.00 22.00 C ATOM 396 C SER A 25 -2.764 -9.976 12.499 1.00 14.21 C ATOM 397 O SER A 25 -2.613 -8.772 12.744 1.00 34.01 O ATOM 398 CB SER A 25 -2.171 -11.108 14.652 1.00 1.31 C ATOM 399 OG SER A 25 -1.356 -12.102 15.261 1.00 52.21 O ATOM 0 H SER A 25 -0.303 -9.673 12.966 1.00 15.45 H new ATOM 0 HA SER A 25 -2.081 -11.986 12.702 1.00 22.00 H new ATOM 0 HB2 SER A 25 -1.991 -10.142 15.124 1.00 1.31 H new ATOM 0 HB3 SER A 25 -3.223 -11.347 14.807 1.00 1.31 H new ATOM 0 HG SER A 25 -1.576 -12.980 14.886 1.00 52.21 H new ATOM 405 N SER A 26 -3.673 -10.427 11.664 1.00 2.02 N ATOM 406 CA SER A 26 -4.560 -9.533 10.957 1.00 4.13 C ATOM 407 C SER A 26 -5.987 -10.058 10.989 1.00 20.14 C ATOM 408 O SER A 26 -6.245 -11.154 11.486 1.00 71.25 O ATOM 409 CB SER A 26 -4.089 -9.371 9.511 1.00 42.35 C ATOM 410 OG SER A 26 -2.746 -8.914 9.466 1.00 72.02 O ATOM 0 H SER A 26 -3.817 -11.415 11.457 1.00 2.02 H new ATOM 0 HA SER A 26 -4.542 -8.561 11.450 1.00 4.13 H new ATOM 0 HB2 SER A 26 -4.171 -10.324 8.988 1.00 42.35 H new ATOM 0 HB3 SER A 26 -4.736 -8.665 8.990 1.00 42.35 H new ATOM 0 HG SER A 26 -2.155 -9.597 9.846 1.00 72.02 H new ATOM 415 N TRP A 27 -6.909 -9.277 10.449 1.00 71.54 N ATOM 416 CA TRP A 27 -8.313 -9.663 10.416 1.00 52.01 C ATOM 417 C TRP A 27 -8.559 -10.765 9.387 1.00 70.05 C ATOM 418 O TRP A 27 -9.609 -11.406 9.389 1.00 2.14 O ATOM 419 CB TRP A 27 -9.200 -8.442 10.121 1.00 75.14 C ATOM 420 CG TRP A 27 -8.914 -7.770 8.805 1.00 0.21 C ATOM 421 CD1 TRP A 27 -7.932 -6.856 8.545 1.00 5.11 C ATOM 422 CD2 TRP A 27 -9.630 -7.951 7.577 1.00 45.04 C ATOM 423 NE1 TRP A 27 -7.991 -6.465 7.232 1.00 2.41 N ATOM 424 CE2 TRP A 27 -9.023 -7.121 6.616 1.00 13.41 C ATOM 425 CE3 TRP A 27 -10.722 -8.736 7.197 1.00 21.42 C ATOM 426 CZ2 TRP A 27 -9.473 -7.057 5.299 1.00 75.32 C ATOM 427 CZ3 TRP A 27 -11.166 -8.670 5.892 1.00 2.55 C ATOM 428 CH2 TRP A 27 -10.543 -7.836 4.957 1.00 25.13 C ATOM 0 H TRP A 27 -6.711 -8.370 10.026 1.00 71.54 H new ATOM 0 HA TRP A 27 -8.576 -10.056 11.398 1.00 52.01 H new ATOM 0 HB2 TRP A 27 -10.244 -8.754 10.136 1.00 75.14 H new ATOM 0 HB3 TRP A 27 -9.073 -7.714 10.922 1.00 75.14 H new ATOM 0 HD1 TRP A 27 -7.215 -6.495 9.267 1.00 5.11 H new ATOM 0 HE1 TRP A 27 -7.366 -5.793 6.786 1.00 2.41 H new ATOM 0 HE3 TRP A 27 -11.210 -9.383 7.912 1.00 21.42 H new ATOM 0 HZ2 TRP A 27 -8.994 -6.415 4.575 1.00 75.32 H new ATOM 0 HZ3 TRP A 27 -12.009 -9.272 5.587 1.00 2.55 H new ATOM 0 HH2 TRP A 27 -10.915 -7.807 3.944 1.00 25.13 H new ATOM 439 N ARG A 28 -7.581 -10.983 8.517 1.00 35.24 N ATOM 440 CA ARG A 28 -7.696 -12.000 7.486 1.00 63.10 C ATOM 441 C ARG A 28 -7.140 -13.328 7.981 1.00 23.54 C ATOM 442 O ARG A 28 -7.747 -14.380 7.783 1.00 33.05 O ATOM 443 CB ARG A 28 -6.945 -11.578 6.222 1.00 71.02 C ATOM 444 CG ARG A 28 -7.205 -10.146 5.790 1.00 15.41 C ATOM 445 CD ARG A 28 -6.792 -9.930 4.349 1.00 61.12 C ATOM 446 NE ARG A 28 -7.688 -10.633 3.434 1.00 31.11 N ATOM 447 CZ ARG A 28 -7.302 -11.353 2.387 1.00 61.52 C ATOM 448 NH1 ARG A 28 -6.014 -11.459 2.073 1.00 32.12 N ATOM 449 NH2 ARG A 28 -8.214 -11.956 1.640 1.00 22.33 N ATOM 0 H ARG A 28 -6.701 -10.468 8.507 1.00 35.24 H new ATOM 0 HA ARG A 28 -8.754 -12.117 7.250 1.00 63.10 H new ATOM 0 HB2 ARG A 28 -5.876 -11.706 6.389 1.00 71.02 H new ATOM 0 HB3 ARG A 28 -7.223 -12.247 5.408 1.00 71.02 H new ATOM 0 HG2 ARG A 28 -8.263 -9.914 5.907 1.00 15.41 H new ATOM 0 HG3 ARG A 28 -6.655 -9.462 6.436 1.00 15.41 H new ATOM 0 HD2 ARG A 28 -6.798 -8.864 4.122 1.00 61.12 H new ATOM 0 HD3 ARG A 28 -5.770 -10.281 4.204 1.00 61.12 H new ATOM 0 HE ARG A 28 -8.690 -10.565 3.614 1.00 31.11 H new ATOM 0 HH11 ARG A 28 -5.310 -10.984 2.639 1.00 32.12 H new ATOM 0 HH12 ARG A 28 -5.730 -12.015 1.266 1.00 32.12 H new ATOM 0 HH21 ARG A 28 -9.203 -11.865 1.871 1.00 22.33 H new ATOM 0 HH22 ARG A 28 -7.927 -12.511 0.834 1.00 22.33 H new ATOM 463 N GLN A 29 -5.988 -13.267 8.632 1.00 65.21 N ATOM 464 CA GLN A 29 -5.322 -14.455 9.132 1.00 32.12 C ATOM 465 C GLN A 29 -4.803 -14.212 10.548 1.00 35.31 C ATOM 466 O GLN A 29 -4.211 -13.164 10.826 1.00 44.11 O ATOM 467 CB GLN A 29 -4.166 -14.835 8.193 1.00 22.33 C ATOM 468 CG GLN A 29 -3.424 -16.110 8.578 1.00 54.35 C ATOM 469 CD GLN A 29 -4.279 -17.362 8.461 1.00 13.03 C ATOM 470 OE1 GLN A 29 -5.494 -17.324 8.636 1.00 31.44 O ATOM 471 NE2 GLN A 29 -3.646 -18.476 8.169 1.00 41.42 N ATOM 0 H GLN A 29 -5.493 -12.397 8.827 1.00 65.21 H new ATOM 0 HA GLN A 29 -6.035 -15.279 9.164 1.00 32.12 H new ATOM 0 HB2 GLN A 29 -4.560 -14.951 7.183 1.00 22.33 H new ATOM 0 HB3 GLN A 29 -3.453 -14.011 8.165 1.00 22.33 H new ATOM 0 HG2 GLN A 29 -2.546 -16.217 7.941 1.00 54.35 H new ATOM 0 HG3 GLN A 29 -3.065 -16.018 9.603 1.00 54.35 H new ATOM 0 HE21 GLN A 29 -2.635 -18.467 8.031 1.00 41.42 H new ATOM 0 HE22 GLN A 29 -4.165 -19.349 8.080 1.00 41.42 H new ATOM 480 N GLU A 30 -5.040 -15.182 11.435 1.00 12.35 N ATOM 481 CA GLU A 30 -4.621 -15.087 12.832 1.00 72.11 C ATOM 482 C GLU A 30 -3.106 -14.921 12.941 1.00 44.41 C ATOM 483 O GLU A 30 -2.619 -14.060 13.667 1.00 74.12 O ATOM 484 CB GLU A 30 -5.084 -16.324 13.613 1.00 30.11 C ATOM 485 CG GLU A 30 -4.816 -16.249 15.110 1.00 72.53 C ATOM 486 CD GLU A 30 -5.376 -17.435 15.863 1.00 71.32 C ATOM 487 OE1 GLU A 30 -6.584 -17.431 16.173 1.00 23.44 O ATOM 488 OE2 GLU A 30 -4.610 -18.374 16.152 1.00 35.43 O ATOM 0 H GLU A 30 -5.525 -16.049 11.205 1.00 12.35 H new ATOM 0 HA GLU A 30 -5.088 -14.203 13.267 1.00 72.11 H new ATOM 0 HB2 GLU A 30 -6.153 -16.463 13.452 1.00 30.11 H new ATOM 0 HB3 GLU A 30 -4.584 -17.204 13.209 1.00 30.11 H new ATOM 0 HG2 GLU A 30 -3.741 -16.190 15.280 1.00 72.53 H new ATOM 0 HG3 GLU A 30 -5.252 -15.333 15.508 1.00 72.53 H new ATOM 495 N LYS A 31 -2.370 -15.749 12.224 1.00 52.23 N ATOM 496 CA LYS A 31 -0.926 -15.639 12.208 1.00 51.32 C ATOM 497 C LYS A 31 -0.416 -15.546 10.781 1.00 13.24 C ATOM 498 O LYS A 31 -0.542 -16.491 9.997 1.00 52.24 O ATOM 499 CB LYS A 31 -0.255 -16.799 12.961 1.00 70.40 C ATOM 500 CG LYS A 31 -0.599 -18.189 12.448 1.00 14.11 C ATOM 501 CD LYS A 31 0.217 -19.247 13.169 1.00 21.13 C ATOM 502 CE LYS A 31 -0.119 -20.645 12.686 1.00 15.25 C ATOM 503 NZ LYS A 31 0.744 -21.669 13.326 1.00 11.50 N ATOM 0 H LYS A 31 -2.747 -16.501 11.648 1.00 52.23 H new ATOM 0 HA LYS A 31 -0.658 -14.721 12.732 1.00 51.32 H new ATOM 0 HB2 LYS A 31 0.826 -16.667 12.910 1.00 70.40 H new ATOM 0 HB3 LYS A 31 -0.534 -16.738 14.013 1.00 70.40 H new ATOM 0 HG2 LYS A 31 -1.662 -18.382 12.592 1.00 14.11 H new ATOM 0 HG3 LYS A 31 -0.408 -18.244 11.376 1.00 14.11 H new ATOM 0 HD2 LYS A 31 1.279 -19.055 13.015 1.00 21.13 H new ATOM 0 HD3 LYS A 31 0.033 -19.179 14.241 1.00 21.13 H new ATOM 0 HE2 LYS A 31 -1.165 -20.863 12.903 1.00 15.25 H new ATOM 0 HE3 LYS A 31 -0.001 -20.694 11.604 1.00 15.25 H new ATOM 0 HZ1 LYS A 31 0.485 -22.612 12.971 1.00 11.50 H new ATOM 0 HZ2 LYS A 31 1.740 -21.475 13.099 1.00 11.50 H new ATOM 0 HZ3 LYS A 31 0.612 -21.639 14.357 1.00 11.50 H new ATOM 517 N ILE A 32 0.136 -14.400 10.446 1.00 61.35 N ATOM 518 CA ILE A 32 0.655 -14.163 9.115 1.00 41.33 C ATOM 519 C ILE A 32 1.873 -15.040 8.862 1.00 54.32 C ATOM 520 O ILE A 32 2.957 -14.786 9.391 1.00 12.32 O ATOM 521 CB ILE A 32 1.038 -12.676 8.905 1.00 62.32 C ATOM 522 CG1 ILE A 32 -0.159 -11.758 9.197 1.00 74.21 C ATOM 523 CG2 ILE A 32 1.552 -12.449 7.490 1.00 70.15 C ATOM 524 CD1 ILE A 32 -1.367 -12.016 8.317 1.00 4.00 C ATOM 0 H ILE A 32 0.238 -13.610 11.084 1.00 61.35 H new ATOM 0 HA ILE A 32 -0.135 -14.415 8.407 1.00 41.33 H new ATOM 0 HB ILE A 32 1.836 -12.429 9.605 1.00 62.32 H new ATOM 0 HG12 ILE A 32 -0.450 -11.880 10.240 1.00 74.21 H new ATOM 0 HG13 ILE A 32 0.153 -10.721 9.072 1.00 74.21 H new ATOM 0 HG21 ILE A 32 1.816 -11.399 7.363 1.00 70.15 H new ATOM 0 HG22 ILE A 32 2.433 -13.068 7.319 1.00 70.15 H new ATOM 0 HG23 ILE A 32 0.776 -12.718 6.773 1.00 70.15 H new ATOM 0 HD11 ILE A 32 -2.167 -11.327 8.587 1.00 4.00 H new ATOM 0 HD12 ILE A 32 -1.095 -11.865 7.272 1.00 4.00 H new ATOM 0 HD13 ILE A 32 -1.708 -13.042 8.459 1.00 4.00 H new ATOM 536 N THR A 33 1.680 -16.086 8.089 1.00 23.42 N ATOM 537 CA THR A 33 2.753 -16.992 7.769 1.00 43.34 C ATOM 538 C THR A 33 3.065 -16.933 6.281 1.00 73.21 C ATOM 539 O THR A 33 2.394 -17.575 5.461 1.00 51.35 O ATOM 540 CB THR A 33 2.398 -18.435 8.167 1.00 62.53 C ATOM 541 OG1 THR A 33 1.907 -18.450 9.520 1.00 20.31 O ATOM 542 CG2 THR A 33 3.621 -19.338 8.062 1.00 45.42 C ATOM 0 H THR A 33 0.782 -16.328 7.670 1.00 23.42 H new ATOM 0 HA THR A 33 3.632 -16.684 8.336 1.00 43.34 H new ATOM 0 HB THR A 33 1.630 -18.806 7.488 1.00 62.53 H new ATOM 0 HG1 THR A 33 1.679 -19.368 9.775 1.00 20.31 H new ATOM 0 HG21 THR A 33 3.349 -20.354 8.348 1.00 45.42 H new ATOM 0 HG22 THR A 33 3.988 -19.336 7.036 1.00 45.42 H new ATOM 0 HG23 THR A 33 4.402 -18.971 8.727 1.00 45.42 H new ATOM 550 N ARG A 34 4.063 -16.143 5.934 1.00 24.01 N ATOM 551 CA ARG A 34 4.471 -15.986 4.555 1.00 24.44 C ATOM 552 C ARG A 34 5.818 -15.274 4.485 1.00 25.53 C ATOM 553 O ARG A 34 6.045 -14.282 5.188 1.00 34.33 O ATOM 554 CB ARG A 34 3.400 -15.216 3.748 1.00 65.40 C ATOM 555 CG ARG A 34 3.289 -13.744 4.097 1.00 11.02 C ATOM 556 CD ARG A 34 2.178 -13.059 3.318 1.00 0.42 C ATOM 557 NE ARG A 34 0.857 -13.272 3.923 1.00 44.14 N ATOM 558 CZ ARG A 34 -0.001 -12.281 4.206 1.00 11.43 C ATOM 559 NH1 ARG A 34 0.327 -11.023 3.949 1.00 12.53 N ATOM 560 NH2 ARG A 34 -1.179 -12.551 4.758 1.00 34.43 N ATOM 0 H ARG A 34 4.610 -15.595 6.598 1.00 24.01 H new ATOM 0 HA ARG A 34 4.577 -16.975 4.110 1.00 24.44 H new ATOM 0 HB2 ARG A 34 3.627 -15.309 2.686 1.00 65.40 H new ATOM 0 HB3 ARG A 34 2.431 -15.689 3.910 1.00 65.40 H new ATOM 0 HG2 ARG A 34 3.102 -13.637 5.166 1.00 11.02 H new ATOM 0 HG3 ARG A 34 4.237 -13.249 3.888 1.00 11.02 H new ATOM 0 HD2 ARG A 34 2.382 -11.990 3.264 1.00 0.42 H new ATOM 0 HD3 ARG A 34 2.171 -13.434 2.295 1.00 0.42 H new ATOM 0 HE ARG A 34 0.576 -14.228 4.140 1.00 44.14 H new ATOM 0 HH11 ARG A 34 1.234 -10.807 3.535 1.00 12.53 H new ATOM 0 HH12 ARG A 34 -0.327 -10.271 4.165 1.00 12.53 H new ATOM 0 HH21 ARG A 34 -1.434 -13.516 4.969 1.00 34.43 H new ATOM 0 HH22 ARG A 34 -1.828 -11.793 4.971 1.00 34.43 H new ATOM 574 N THR A 35 6.708 -15.793 3.667 1.00 73.33 N ATOM 575 CA THR A 35 8.028 -15.217 3.508 1.00 22.10 C ATOM 576 C THR A 35 7.963 -13.929 2.667 1.00 34.45 C ATOM 577 O THR A 35 6.895 -13.569 2.145 1.00 64.34 O ATOM 578 CB THR A 35 9.006 -16.244 2.859 1.00 24.41 C ATOM 579 OG1 THR A 35 10.343 -15.725 2.821 1.00 4.40 O ATOM 580 CG2 THR A 35 8.562 -16.605 1.449 1.00 25.32 C ATOM 0 H THR A 35 6.540 -16.621 3.096 1.00 73.33 H new ATOM 0 HA THR A 35 8.407 -14.962 4.498 1.00 22.10 H new ATOM 0 HB THR A 35 8.991 -17.143 3.475 1.00 24.41 H new ATOM 0 HG1 THR A 35 10.939 -16.386 2.412 1.00 4.40 H new ATOM 0 HG21 THR A 35 9.261 -17.322 1.020 1.00 25.32 H new ATOM 0 HG22 THR A 35 7.565 -17.045 1.483 1.00 25.32 H new ATOM 0 HG23 THR A 35 8.541 -15.706 0.833 1.00 25.32 H new ATOM 588 N LYS A 36 9.098 -13.244 2.539 1.00 1.34 N ATOM 589 CA LYS A 36 9.175 -11.997 1.781 1.00 11.12 C ATOM 590 C LYS A 36 8.732 -12.218 0.340 1.00 42.45 C ATOM 591 O LYS A 36 8.057 -11.375 -0.248 1.00 54.14 O ATOM 592 CB LYS A 36 10.604 -11.441 1.812 1.00 43.21 C ATOM 593 CG LYS A 36 10.750 -10.062 1.176 1.00 44.44 C ATOM 594 CD LYS A 36 12.196 -9.575 1.210 1.00 24.51 C ATOM 595 CE LYS A 36 12.730 -9.503 2.634 1.00 74.54 C ATOM 596 NZ LYS A 36 14.113 -8.968 2.688 1.00 5.34 N ATOM 0 H LYS A 36 9.983 -13.535 2.954 1.00 1.34 H new ATOM 0 HA LYS A 36 8.505 -11.273 2.244 1.00 11.12 H new ATOM 0 HB2 LYS A 36 10.940 -11.389 2.848 1.00 43.21 H new ATOM 0 HB3 LYS A 36 11.265 -12.138 1.297 1.00 43.21 H new ATOM 0 HG2 LYS A 36 10.403 -10.099 0.144 1.00 44.44 H new ATOM 0 HG3 LYS A 36 10.114 -9.350 1.701 1.00 44.44 H new ATOM 0 HD2 LYS A 36 12.820 -10.246 0.620 1.00 24.51 H new ATOM 0 HD3 LYS A 36 12.260 -8.590 0.747 1.00 24.51 H new ATOM 0 HE2 LYS A 36 12.075 -8.872 3.234 1.00 74.54 H new ATOM 0 HE3 LYS A 36 12.710 -10.498 3.079 1.00 74.54 H new ATOM 0 HZ1 LYS A 36 14.435 -8.937 3.676 1.00 5.34 H new ATOM 0 HZ2 LYS A 36 14.745 -9.583 2.137 1.00 5.34 H new ATOM 0 HZ3 LYS A 36 14.130 -8.008 2.288 1.00 5.34 H new ATOM 610 N GLU A 37 9.105 -13.368 -0.209 1.00 23.42 N ATOM 611 CA GLU A 37 8.742 -13.731 -1.574 1.00 62.50 C ATOM 612 C GLU A 37 7.228 -13.734 -1.748 1.00 31.43 C ATOM 613 O GLU A 37 6.709 -13.175 -2.705 1.00 65.10 O ATOM 614 CB GLU A 37 9.305 -15.105 -1.920 1.00 2.05 C ATOM 615 CG GLU A 37 10.818 -15.184 -1.841 1.00 55.52 C ATOM 616 CD GLU A 37 11.334 -16.575 -2.102 1.00 74.11 C ATOM 617 OE1 GLU A 37 11.266 -17.033 -3.259 1.00 42.04 O ATOM 618 OE2 GLU A 37 11.818 -17.222 -1.152 1.00 21.14 O ATOM 0 H GLU A 37 9.664 -14.071 0.275 1.00 23.42 H new ATOM 0 HA GLU A 37 9.168 -12.989 -2.249 1.00 62.50 H new ATOM 0 HB2 GLU A 37 8.876 -15.844 -1.243 1.00 2.05 H new ATOM 0 HB3 GLU A 37 8.989 -15.374 -2.928 1.00 2.05 H new ATOM 0 HG2 GLU A 37 11.254 -14.496 -2.565 1.00 55.52 H new ATOM 0 HG3 GLU A 37 11.145 -14.857 -0.854 1.00 55.52 H new ATOM 625 N GLU A 38 6.530 -14.350 -0.798 1.00 15.01 N ATOM 626 CA GLU A 38 5.073 -14.425 -0.834 1.00 22.11 C ATOM 627 C GLU A 38 4.454 -13.039 -0.826 1.00 52.04 C ATOM 628 O GLU A 38 3.516 -12.762 -1.574 1.00 74.14 O ATOM 629 CB GLU A 38 4.550 -15.229 0.351 1.00 73.12 C ATOM 630 CG GLU A 38 4.840 -16.712 0.264 1.00 33.22 C ATOM 631 CD GLU A 38 4.245 -17.341 -0.973 1.00 11.02 C ATOM 632 OE1 GLU A 38 3.024 -17.190 -1.191 1.00 34.32 O ATOM 633 OE2 GLU A 38 4.995 -17.975 -1.740 1.00 55.32 O ATOM 0 H GLU A 38 6.953 -14.807 0.010 1.00 15.01 H new ATOM 0 HA GLU A 38 4.789 -14.926 -1.759 1.00 22.11 H new ATOM 0 HB2 GLU A 38 4.991 -14.836 1.267 1.00 73.12 H new ATOM 0 HB3 GLU A 38 3.473 -15.084 0.428 1.00 73.12 H new ATOM 0 HG2 GLU A 38 5.919 -16.870 0.266 1.00 33.22 H new ATOM 0 HG3 GLU A 38 4.443 -17.210 1.149 1.00 33.22 H new ATOM 640 N ALA A 39 4.986 -12.170 0.020 1.00 5.12 N ATOM 641 CA ALA A 39 4.501 -10.805 0.108 1.00 74.32 C ATOM 642 C ALA A 39 4.752 -10.071 -1.202 1.00 63.11 C ATOM 643 O ALA A 39 3.886 -9.350 -1.700 1.00 14.20 O ATOM 644 CB ALA A 39 5.169 -10.079 1.266 1.00 23.25 C ATOM 0 H ALA A 39 5.754 -12.388 0.655 1.00 5.12 H new ATOM 0 HA ALA A 39 3.427 -10.827 0.291 1.00 74.32 H new ATOM 0 HB1 ALA A 39 4.795 -9.057 1.319 1.00 23.25 H new ATOM 0 HB2 ALA A 39 4.944 -10.597 2.198 1.00 23.25 H new ATOM 0 HB3 ALA A 39 6.248 -10.063 1.112 1.00 23.25 H new ATOM 650 N LEU A 40 5.933 -10.288 -1.765 1.00 12.30 N ATOM 651 CA LEU A 40 6.325 -9.662 -3.018 1.00 35.11 C ATOM 652 C LEU A 40 5.419 -10.126 -4.160 1.00 22.14 C ATOM 653 O LEU A 40 4.978 -9.317 -4.987 1.00 63.14 O ATOM 654 CB LEU A 40 7.784 -9.997 -3.336 1.00 35.31 C ATOM 655 CG LEU A 40 8.412 -9.217 -4.486 1.00 24.50 C ATOM 656 CD1 LEU A 40 8.546 -7.744 -4.122 1.00 51.21 C ATOM 657 CD2 LEU A 40 9.762 -9.805 -4.849 1.00 42.43 C ATOM 0 H LEU A 40 6.644 -10.901 -1.366 1.00 12.30 H new ATOM 0 HA LEU A 40 6.221 -8.582 -2.913 1.00 35.11 H new ATOM 0 HB2 LEU A 40 8.379 -9.826 -2.439 1.00 35.31 H new ATOM 0 HB3 LEU A 40 7.851 -11.061 -3.565 1.00 35.31 H new ATOM 0 HG LEU A 40 7.759 -9.295 -5.355 1.00 24.50 H new ATOM 0 HD11 LEU A 40 8.996 -7.203 -4.954 1.00 51.21 H new ATOM 0 HD12 LEU A 40 7.560 -7.330 -3.911 1.00 51.21 H new ATOM 0 HD13 LEU A 40 9.178 -7.643 -3.240 1.00 51.21 H new ATOM 0 HD21 LEU A 40 10.197 -9.237 -5.671 1.00 42.43 H new ATOM 0 HD22 LEU A 40 10.424 -9.757 -3.985 1.00 42.43 H new ATOM 0 HD23 LEU A 40 9.636 -10.844 -5.152 1.00 42.43 H new ATOM 669 N GLU A 41 5.145 -11.431 -4.198 1.00 73.11 N ATOM 670 CA GLU A 41 4.270 -12.016 -5.212 1.00 2.52 C ATOM 671 C GLU A 41 2.879 -11.405 -5.141 1.00 33.24 C ATOM 672 O GLU A 41 2.273 -11.090 -6.171 1.00 42.41 O ATOM 673 CB GLU A 41 4.174 -13.535 -5.035 1.00 14.51 C ATOM 674 CG GLU A 41 5.470 -14.283 -5.299 1.00 34.45 C ATOM 675 CD GLU A 41 5.975 -14.086 -6.706 1.00 30.14 C ATOM 676 OE1 GLU A 41 5.284 -14.517 -7.657 1.00 0.42 O ATOM 677 OE2 GLU A 41 7.069 -13.506 -6.876 1.00 73.52 O ATOM 0 H GLU A 41 5.520 -12.106 -3.532 1.00 73.11 H new ATOM 0 HA GLU A 41 4.702 -11.800 -6.189 1.00 2.52 H new ATOM 0 HB2 GLU A 41 3.846 -13.750 -4.018 1.00 14.51 H new ATOM 0 HB3 GLU A 41 3.405 -13.918 -5.705 1.00 14.51 H new ATOM 0 HG2 GLU A 41 6.230 -13.947 -4.593 1.00 34.45 H new ATOM 0 HG3 GLU A 41 5.315 -15.347 -5.118 1.00 34.45 H new ATOM 684 N LEU A 42 2.370 -11.239 -3.926 1.00 75.04 N ATOM 685 CA LEU A 42 1.056 -10.647 -3.728 1.00 4.21 C ATOM 686 C LEU A 42 1.039 -9.205 -4.210 1.00 31.51 C ATOM 687 O LEU A 42 0.148 -8.808 -4.966 1.00 5.03 O ATOM 688 CB LEU A 42 0.633 -10.723 -2.257 1.00 70.41 C ATOM 689 CG LEU A 42 0.441 -12.135 -1.688 1.00 74.52 C ATOM 690 CD1 LEU A 42 0.006 -12.070 -0.234 1.00 14.23 C ATOM 691 CD2 LEU A 42 -0.573 -12.917 -2.514 1.00 31.13 C ATOM 0 H LEU A 42 2.848 -11.506 -3.065 1.00 75.04 H new ATOM 0 HA LEU A 42 0.339 -11.219 -4.317 1.00 4.21 H new ATOM 0 HB2 LEU A 42 1.383 -10.209 -1.656 1.00 70.41 H new ATOM 0 HB3 LEU A 42 -0.301 -10.174 -2.139 1.00 70.41 H new ATOM 0 HG LEU A 42 1.397 -12.655 -1.739 1.00 74.52 H new ATOM 0 HD11 LEU A 42 -0.125 -13.081 0.152 1.00 14.23 H new ATOM 0 HD12 LEU A 42 0.767 -11.554 0.351 1.00 14.23 H new ATOM 0 HD13 LEU A 42 -0.937 -11.528 -0.160 1.00 14.23 H new ATOM 0 HD21 LEU A 42 -0.693 -13.915 -2.093 1.00 31.13 H new ATOM 0 HD22 LEU A 42 -1.532 -12.399 -2.499 1.00 31.13 H new ATOM 0 HD23 LEU A 42 -0.220 -12.997 -3.542 1.00 31.13 H new ATOM 703 N ILE A 43 2.042 -8.432 -3.785 1.00 50.01 N ATOM 704 CA ILE A 43 2.169 -7.028 -4.174 1.00 34.43 C ATOM 705 C ILE A 43 2.182 -6.879 -5.692 1.00 63.03 C ATOM 706 O ILE A 43 1.339 -6.182 -6.261 1.00 35.41 O ATOM 707 CB ILE A 43 3.457 -6.391 -3.583 1.00 42.32 C ATOM 708 CG1 ILE A 43 3.370 -6.317 -2.053 1.00 52.30 C ATOM 709 CG2 ILE A 43 3.708 -5.006 -4.173 1.00 45.43 C ATOM 710 CD1 ILE A 43 2.305 -5.368 -1.541 1.00 10.03 C ATOM 0 H ILE A 43 2.783 -8.760 -3.166 1.00 50.01 H new ATOM 0 HA ILE A 43 1.302 -6.505 -3.771 1.00 34.43 H new ATOM 0 HB ILE A 43 4.299 -7.028 -3.852 1.00 42.32 H new ATOM 0 HG12 ILE A 43 3.171 -7.315 -1.662 1.00 52.30 H new ATOM 0 HG13 ILE A 43 4.338 -6.007 -1.659 1.00 52.30 H new ATOM 0 HG21 ILE A 43 4.616 -4.585 -3.741 1.00 45.43 H new ATOM 0 HG22 ILE A 43 3.824 -5.087 -5.254 1.00 45.43 H new ATOM 0 HG23 ILE A 43 2.863 -4.356 -3.947 1.00 45.43 H new ATOM 0 HD11 ILE A 43 2.307 -5.373 -0.451 1.00 10.03 H new ATOM 0 HD12 ILE A 43 2.513 -4.360 -1.900 1.00 10.03 H new ATOM 0 HD13 ILE A 43 1.328 -5.688 -1.903 1.00 10.03 H new ATOM 722 N ASN A 44 3.125 -7.556 -6.342 1.00 11.43 N ATOM 723 CA ASN A 44 3.243 -7.497 -7.798 1.00 44.35 C ATOM 724 C ASN A 44 1.977 -7.995 -8.463 1.00 63.33 C ATOM 725 O ASN A 44 1.559 -7.470 -9.498 1.00 31.13 O ATOM 726 CB ASN A 44 4.451 -8.297 -8.294 1.00 13.04 C ATOM 727 CG ASN A 44 5.764 -7.569 -8.085 1.00 12.15 C ATOM 728 OD1 ASN A 44 6.193 -6.789 -8.937 1.00 71.24 O ATOM 729 ND2 ASN A 44 6.415 -7.822 -6.966 1.00 30.11 N ATOM 0 H ASN A 44 3.817 -8.150 -5.886 1.00 11.43 H new ATOM 0 HA ASN A 44 3.393 -6.452 -8.071 1.00 44.35 H new ATOM 0 HB2 ASN A 44 4.485 -9.254 -7.774 1.00 13.04 H new ATOM 0 HB3 ASN A 44 4.326 -8.514 -9.355 1.00 13.04 H new ATOM 0 HD21 ASN A 44 7.308 -7.365 -6.781 1.00 30.11 H new ATOM 0 HD22 ASN A 44 6.025 -8.475 -6.286 1.00 30.11 H new ATOM 736 N GLY A 45 1.361 -9.001 -7.852 1.00 24.42 N ATOM 737 CA GLY A 45 0.127 -9.542 -8.367 1.00 12.24 C ATOM 738 C GLY A 45 -0.956 -8.490 -8.463 1.00 22.11 C ATOM 739 O GLY A 45 -1.590 -8.346 -9.511 1.00 13.23 O ATOM 0 H GLY A 45 1.702 -9.451 -7.003 1.00 24.42 H new ATOM 0 HA2 GLY A 45 0.303 -9.972 -9.353 1.00 12.24 H new ATOM 0 HA3 GLY A 45 -0.211 -10.353 -7.721 1.00 12.24 H new ATOM 743 N TYR A 46 -1.157 -7.740 -7.374 1.00 4.42 N ATOM 744 CA TYR A 46 -2.158 -6.677 -7.354 1.00 64.15 C ATOM 745 C TYR A 46 -1.823 -5.630 -8.399 1.00 14.24 C ATOM 746 O TYR A 46 -2.684 -5.219 -9.173 1.00 73.11 O ATOM 747 CB TYR A 46 -2.241 -6.005 -5.978 1.00 31.33 C ATOM 748 CG TYR A 46 -2.597 -6.930 -4.836 1.00 71.31 C ATOM 749 CD1 TYR A 46 -3.671 -7.807 -4.926 1.00 41.02 C ATOM 750 CD2 TYR A 46 -1.855 -6.924 -3.664 1.00 74.32 C ATOM 751 CE1 TYR A 46 -3.992 -8.649 -3.878 1.00 71.54 C ATOM 752 CE2 TYR A 46 -2.170 -7.761 -2.616 1.00 45.41 C ATOM 753 CZ TYR A 46 -3.235 -8.619 -2.726 1.00 71.31 C ATOM 754 OH TYR A 46 -3.547 -9.455 -1.679 1.00 24.42 O ATOM 0 H TYR A 46 -0.641 -7.851 -6.501 1.00 4.42 H new ATOM 0 HA TYR A 46 -3.124 -7.131 -7.575 1.00 64.15 H new ATOM 0 HB2 TYR A 46 -1.281 -5.536 -5.761 1.00 31.33 H new ATOM 0 HB3 TYR A 46 -2.982 -5.207 -6.024 1.00 31.33 H new ATOM 0 HD1 TYR A 46 -4.264 -7.831 -5.828 1.00 41.02 H new ATOM 0 HD2 TYR A 46 -1.015 -6.251 -3.571 1.00 74.32 H new ATOM 0 HE1 TYR A 46 -4.830 -9.326 -3.961 1.00 71.54 H new ATOM 0 HE2 TYR A 46 -1.581 -7.742 -1.711 1.00 45.41 H new ATOM 0 HH TYR A 46 -3.821 -8.921 -0.904 1.00 24.42 H new ATOM 764 N ILE A 47 -0.554 -5.219 -8.421 1.00 23.23 N ATOM 765 CA ILE A 47 -0.069 -4.216 -9.366 1.00 22.20 C ATOM 766 C ILE A 47 -0.457 -4.573 -10.797 1.00 63.32 C ATOM 767 O ILE A 47 -1.048 -3.760 -11.508 1.00 10.11 O ATOM 768 CB ILE A 47 1.475 -4.055 -9.276 1.00 4.40 C ATOM 769 CG1 ILE A 47 1.877 -3.525 -7.895 1.00 12.20 C ATOM 770 CG2 ILE A 47 1.994 -3.133 -10.381 1.00 33.21 C ATOM 771 CD1 ILE A 47 3.374 -3.418 -7.694 1.00 51.13 C ATOM 0 H ILE A 47 0.163 -5.571 -7.786 1.00 23.23 H new ATOM 0 HA ILE A 47 -0.539 -3.271 -9.096 1.00 22.20 H new ATOM 0 HB ILE A 47 1.929 -5.036 -9.416 1.00 4.40 H new ATOM 0 HG12 ILE A 47 1.429 -2.542 -7.749 1.00 12.20 H new ATOM 0 HG13 ILE A 47 1.463 -4.181 -7.130 1.00 12.20 H new ATOM 0 HG21 ILE A 47 3.076 -3.037 -10.296 1.00 33.21 H new ATOM 0 HG22 ILE A 47 1.742 -3.554 -11.354 1.00 33.21 H new ATOM 0 HG23 ILE A 47 1.533 -2.150 -10.281 1.00 33.21 H new ATOM 0 HD11 ILE A 47 3.580 -3.036 -6.694 1.00 51.13 H new ATOM 0 HD12 ILE A 47 3.828 -4.403 -7.807 1.00 51.13 H new ATOM 0 HD13 ILE A 47 3.793 -2.738 -8.436 1.00 51.13 H new ATOM 783 N GLN A 48 -0.151 -5.798 -11.205 1.00 73.33 N ATOM 784 CA GLN A 48 -0.447 -6.240 -12.564 1.00 20.34 C ATOM 785 C GLN A 48 -1.951 -6.243 -12.827 1.00 53.25 C ATOM 786 O GLN A 48 -2.399 -5.836 -13.898 1.00 61.24 O ATOM 787 CB GLN A 48 0.148 -7.627 -12.838 1.00 33.53 C ATOM 788 CG GLN A 48 1.654 -7.710 -12.604 1.00 61.43 C ATOM 789 CD GLN A 48 2.430 -6.622 -13.325 1.00 1.35 C ATOM 790 OE1 GLN A 48 2.029 -6.150 -14.388 1.00 12.31 O ATOM 791 NE2 GLN A 48 3.546 -6.219 -12.750 1.00 60.03 N ATOM 0 H GLN A 48 0.300 -6.501 -10.619 1.00 73.33 H new ATOM 0 HA GLN A 48 0.017 -5.529 -13.248 1.00 20.34 H new ATOM 0 HB2 GLN A 48 -0.350 -8.358 -12.201 1.00 33.53 H new ATOM 0 HB3 GLN A 48 -0.066 -7.906 -13.870 1.00 33.53 H new ATOM 0 HG2 GLN A 48 1.854 -7.642 -11.535 1.00 61.43 H new ATOM 0 HG3 GLN A 48 2.014 -8.684 -12.935 1.00 61.43 H new ATOM 0 HE21 GLN A 48 3.845 -6.636 -11.868 1.00 60.03 H new ATOM 0 HE22 GLN A 48 4.111 -5.491 -13.187 1.00 60.03 H new ATOM 800 N LYS A 49 -2.729 -6.675 -11.836 1.00 21.13 N ATOM 801 CA LYS A 49 -4.185 -6.717 -11.963 1.00 63.43 C ATOM 802 C LYS A 49 -4.755 -5.318 -12.169 1.00 62.23 C ATOM 803 O LYS A 49 -5.572 -5.093 -13.060 1.00 34.22 O ATOM 804 CB LYS A 49 -4.815 -7.352 -10.716 1.00 3.34 C ATOM 805 CG LYS A 49 -4.469 -8.823 -10.529 1.00 41.31 C ATOM 806 CD LYS A 49 -4.962 -9.357 -9.186 1.00 12.14 C ATOM 807 CE LYS A 49 -6.479 -9.303 -9.068 1.00 63.42 C ATOM 808 NZ LYS A 49 -7.152 -10.189 -10.049 1.00 15.23 N ATOM 0 H LYS A 49 -2.376 -7.001 -10.936 1.00 21.13 H new ATOM 0 HA LYS A 49 -4.426 -7.325 -12.835 1.00 63.43 H new ATOM 0 HB2 LYS A 49 -4.490 -6.798 -9.835 1.00 3.34 H new ATOM 0 HB3 LYS A 49 -5.898 -7.249 -10.776 1.00 3.34 H new ATOM 0 HG2 LYS A 49 -4.912 -9.406 -11.336 1.00 41.31 H new ATOM 0 HG3 LYS A 49 -3.389 -8.954 -10.597 1.00 41.31 H new ATOM 0 HD2 LYS A 49 -4.626 -10.386 -9.061 1.00 12.14 H new ATOM 0 HD3 LYS A 49 -4.516 -8.775 -8.380 1.00 12.14 H new ATOM 0 HE2 LYS A 49 -6.773 -9.592 -8.059 1.00 63.42 H new ATOM 0 HE3 LYS A 49 -6.816 -8.277 -9.217 1.00 63.42 H new ATOM 0 HZ1 LYS A 49 -8.159 -10.277 -9.803 1.00 15.23 H new ATOM 0 HZ2 LYS A 49 -7.063 -9.783 -11.002 1.00 15.23 H new ATOM 0 HZ3 LYS A 49 -6.707 -11.129 -10.030 1.00 15.23 H new ATOM 822 N ILE A 50 -4.304 -4.387 -11.354 1.00 2.30 N ATOM 823 CA ILE A 50 -4.780 -3.012 -11.412 1.00 75.12 C ATOM 824 C ILE A 50 -4.338 -2.324 -12.702 1.00 73.42 C ATOM 825 O ILE A 50 -5.138 -1.672 -13.373 1.00 34.05 O ATOM 826 CB ILE A 50 -4.274 -2.208 -10.198 1.00 61.41 C ATOM 827 CG1 ILE A 50 -4.705 -2.900 -8.908 1.00 61.14 C ATOM 828 CG2 ILE A 50 -4.804 -0.776 -10.240 1.00 23.05 C ATOM 829 CD1 ILE A 50 -3.970 -2.416 -7.686 1.00 32.40 C ATOM 0 H ILE A 50 -3.601 -4.556 -10.635 1.00 2.30 H new ATOM 0 HA ILE A 50 -5.869 -3.044 -11.392 1.00 75.12 H new ATOM 0 HB ILE A 50 -3.185 -2.165 -10.232 1.00 61.41 H new ATOM 0 HG12 ILE A 50 -5.774 -2.745 -8.763 1.00 61.14 H new ATOM 0 HG13 ILE A 50 -4.550 -3.974 -9.013 1.00 61.14 H new ATOM 0 HG21 ILE A 50 -4.435 -0.226 -9.374 1.00 23.05 H new ATOM 0 HG22 ILE A 50 -4.462 -0.288 -11.153 1.00 23.05 H new ATOM 0 HG23 ILE A 50 -5.894 -0.791 -10.223 1.00 23.05 H new ATOM 0 HD11 ILE A 50 -4.330 -2.953 -6.808 1.00 32.40 H new ATOM 0 HD12 ILE A 50 -2.902 -2.596 -7.809 1.00 32.40 H new ATOM 0 HD13 ILE A 50 -4.145 -1.348 -7.555 1.00 32.40 H new ATOM 841 N LYS A 51 -3.069 -2.485 -13.052 1.00 43.12 N ATOM 842 CA LYS A 51 -2.523 -1.867 -14.257 1.00 45.21 C ATOM 843 C LYS A 51 -3.179 -2.422 -15.517 1.00 34.33 C ATOM 844 O LYS A 51 -3.448 -1.679 -16.461 1.00 44.14 O ATOM 845 CB LYS A 51 -1.007 -2.052 -14.323 1.00 12.24 C ATOM 846 CG LYS A 51 -0.237 -1.283 -13.253 1.00 51.21 C ATOM 847 CD LYS A 51 -0.357 0.225 -13.439 1.00 12.44 C ATOM 848 CE LYS A 51 0.300 0.688 -14.730 1.00 1.32 C ATOM 849 NZ LYS A 51 0.193 2.155 -14.916 1.00 42.14 N ATOM 0 H LYS A 51 -2.397 -3.038 -12.520 1.00 43.12 H new ATOM 0 HA LYS A 51 -2.743 -0.801 -14.205 1.00 45.21 H new ATOM 0 HB2 LYS A 51 -0.777 -3.113 -14.228 1.00 12.24 H new ATOM 0 HB3 LYS A 51 -0.656 -1.736 -15.305 1.00 12.24 H new ATOM 0 HG2 LYS A 51 -0.613 -1.558 -12.267 1.00 51.21 H new ATOM 0 HG3 LYS A 51 0.814 -1.570 -13.285 1.00 51.21 H new ATOM 0 HD2 LYS A 51 -1.410 0.508 -13.445 1.00 12.44 H new ATOM 0 HD3 LYS A 51 0.105 0.734 -12.593 1.00 12.44 H new ATOM 0 HE2 LYS A 51 1.351 0.400 -14.725 1.00 1.32 H new ATOM 0 HE3 LYS A 51 -0.166 0.181 -15.575 1.00 1.32 H new ATOM 0 HZ1 LYS A 51 0.654 2.426 -15.808 1.00 42.14 H new ATOM 0 HZ2 LYS A 51 -0.810 2.429 -14.947 1.00 42.14 H new ATOM 0 HZ3 LYS A 51 0.660 2.640 -14.123 1.00 42.14 H new ATOM 863 N SER A 52 -3.448 -3.721 -15.523 1.00 22.41 N ATOM 864 CA SER A 52 -4.077 -4.369 -16.667 1.00 52.04 C ATOM 865 C SER A 52 -5.544 -3.945 -16.795 1.00 23.15 C ATOM 866 O SER A 52 -6.143 -4.052 -17.868 1.00 64.31 O ATOM 867 CB SER A 52 -3.967 -5.894 -16.540 1.00 22.14 C ATOM 868 OG SER A 52 -4.454 -6.553 -17.701 1.00 21.20 O ATOM 0 H SER A 52 -3.240 -4.348 -14.746 1.00 22.41 H new ATOM 0 HA SER A 52 -3.554 -4.055 -17.570 1.00 52.04 H new ATOM 0 HB2 SER A 52 -2.926 -6.171 -16.373 1.00 22.14 H new ATOM 0 HB3 SER A 52 -4.530 -6.228 -15.668 1.00 22.14 H new ATOM 0 HG SER A 52 -4.368 -7.523 -17.587 1.00 21.20 H new ATOM 874 N GLY A 53 -6.113 -3.461 -15.699 1.00 13.21 N ATOM 875 CA GLY A 53 -7.490 -3.019 -15.716 1.00 52.34 C ATOM 876 C GLY A 53 -8.449 -4.100 -15.271 1.00 24.24 C ATOM 877 O GLY A 53 -9.649 -4.017 -15.538 1.00 63.32 O ATOM 0 H GLY A 53 -5.643 -3.367 -14.798 1.00 13.21 H new ATOM 0 HA2 GLY A 53 -7.598 -2.151 -15.065 1.00 52.34 H new ATOM 0 HA3 GLY A 53 -7.753 -2.697 -16.724 1.00 52.34 H new ATOM 881 N GLU A 54 -7.919 -5.113 -14.589 1.00 61.21 N ATOM 882 CA GLU A 54 -8.732 -6.220 -14.096 1.00 71.13 C ATOM 883 C GLU A 54 -9.735 -5.742 -13.065 1.00 4.20 C ATOM 884 O GLU A 54 -10.944 -5.769 -13.292 1.00 62.04 O ATOM 885 CB GLU A 54 -7.860 -7.300 -13.447 1.00 10.21 C ATOM 886 CG GLU A 54 -7.070 -8.169 -14.404 1.00 65.52 C ATOM 887 CD GLU A 54 -6.351 -9.288 -13.673 1.00 3.21 C ATOM 888 OE1 GLU A 54 -6.927 -9.834 -12.702 1.00 54.11 O ATOM 889 OE2 GLU A 54 -5.207 -9.617 -14.043 1.00 50.12 O ATOM 0 H GLU A 54 -6.927 -5.189 -14.365 1.00 61.21 H new ATOM 0 HA GLU A 54 -9.255 -6.635 -14.958 1.00 71.13 H new ATOM 0 HB2 GLU A 54 -7.162 -6.816 -12.764 1.00 10.21 H new ATOM 0 HB3 GLU A 54 -8.500 -7.944 -12.844 1.00 10.21 H new ATOM 0 HG2 GLU A 54 -7.741 -8.593 -15.151 1.00 65.52 H new ATOM 0 HG3 GLU A 54 -6.344 -7.557 -14.939 1.00 65.52 H new ATOM 896 N GLU A 55 -9.220 -5.300 -11.933 1.00 61.43 N ATOM 897 CA GLU A 55 -10.048 -4.896 -10.818 1.00 22.04 C ATOM 898 C GLU A 55 -9.517 -3.611 -10.190 1.00 14.53 C ATOM 899 O GLU A 55 -8.358 -3.234 -10.405 1.00 3.05 O ATOM 900 CB GLU A 55 -10.101 -6.031 -9.789 1.00 21.41 C ATOM 901 CG GLU A 55 -10.785 -7.290 -10.322 1.00 73.44 C ATOM 902 CD GLU A 55 -10.493 -8.521 -9.501 1.00 55.51 C ATOM 903 OE1 GLU A 55 -11.069 -8.663 -8.408 1.00 1.41 O ATOM 904 OE2 GLU A 55 -9.680 -9.363 -9.953 1.00 60.14 O ATOM 0 H GLU A 55 -8.218 -5.212 -11.763 1.00 61.43 H new ATOM 0 HA GLU A 55 -11.058 -4.694 -11.174 1.00 22.04 H new ATOM 0 HB2 GLU A 55 -9.086 -6.280 -9.478 1.00 21.41 H new ATOM 0 HB3 GLU A 55 -10.631 -5.685 -8.901 1.00 21.41 H new ATOM 0 HG2 GLU A 55 -11.862 -7.126 -10.348 1.00 73.44 H new ATOM 0 HG3 GLU A 55 -10.464 -7.462 -11.349 1.00 73.44 H new ATOM 911 N ASP A 56 -10.364 -2.946 -9.426 1.00 10.14 N ATOM 912 CA ASP A 56 -10.015 -1.673 -8.798 1.00 64.32 C ATOM 913 C ASP A 56 -9.161 -1.863 -7.562 1.00 31.23 C ATOM 914 O ASP A 56 -9.348 -2.815 -6.802 1.00 71.45 O ATOM 915 CB ASP A 56 -11.277 -0.891 -8.421 1.00 32.54 C ATOM 916 CG ASP A 56 -11.990 -0.311 -9.616 1.00 55.22 C ATOM 917 OD1 ASP A 56 -12.811 -1.025 -10.229 1.00 60.53 O ATOM 918 OD2 ASP A 56 -11.743 0.867 -9.945 1.00 15.51 O ATOM 0 H ASP A 56 -11.310 -3.266 -9.220 1.00 10.14 H new ATOM 0 HA ASP A 56 -9.437 -1.110 -9.531 1.00 64.32 H new ATOM 0 HB2 ASP A 56 -11.959 -1.550 -7.883 1.00 32.54 H new ATOM 0 HB3 ASP A 56 -11.008 -0.085 -7.739 1.00 32.54 H new ATOM 923 N PHE A 57 -8.243 -0.933 -7.351 1.00 74.52 N ATOM 924 CA PHE A 57 -7.367 -0.959 -6.193 1.00 61.32 C ATOM 925 C PHE A 57 -8.177 -0.777 -4.924 1.00 51.13 C ATOM 926 O PHE A 57 -7.950 -1.455 -3.931 1.00 2.25 O ATOM 927 CB PHE A 57 -6.312 0.144 -6.305 1.00 2.33 C ATOM 928 CG PHE A 57 -5.432 0.287 -5.091 1.00 31.14 C ATOM 929 CD1 PHE A 57 -4.361 -0.564 -4.890 1.00 61.32 C ATOM 930 CD2 PHE A 57 -5.674 1.279 -4.157 1.00 43.24 C ATOM 931 CE1 PHE A 57 -3.553 -0.431 -3.786 1.00 2.24 C ATOM 932 CE2 PHE A 57 -4.867 1.414 -3.049 1.00 32.41 C ATOM 933 CZ PHE A 57 -3.806 0.559 -2.864 1.00 14.31 C ATOM 0 H PHE A 57 -8.085 -0.142 -7.976 1.00 74.52 H new ATOM 0 HA PHE A 57 -6.863 -1.925 -6.155 1.00 61.32 H new ATOM 0 HB2 PHE A 57 -5.684 -0.057 -7.173 1.00 2.33 H new ATOM 0 HB3 PHE A 57 -6.814 1.094 -6.489 1.00 2.33 H new ATOM 0 HD1 PHE A 57 -4.157 -1.343 -5.610 1.00 61.32 H new ATOM 0 HD2 PHE A 57 -6.505 1.955 -4.298 1.00 43.24 H new ATOM 0 HE1 PHE A 57 -2.720 -1.103 -3.642 1.00 2.24 H new ATOM 0 HE2 PHE A 57 -5.067 2.191 -2.326 1.00 32.41 H new ATOM 0 HZ PHE A 57 -3.172 0.664 -1.996 1.00 14.31 H new ATOM 943 N GLU A 58 -9.137 0.135 -4.978 1.00 54.34 N ATOM 944 CA GLU A 58 -10.010 0.420 -3.843 1.00 75.42 C ATOM 945 C GLU A 58 -10.785 -0.831 -3.428 1.00 13.02 C ATOM 946 O GLU A 58 -11.060 -1.045 -2.245 1.00 73.20 O ATOM 947 CB GLU A 58 -10.976 1.544 -4.207 1.00 63.20 C ATOM 948 CG GLU A 58 -10.286 2.856 -4.551 1.00 42.42 C ATOM 949 CD GLU A 58 -11.192 3.809 -5.296 1.00 63.21 C ATOM 950 OE1 GLU A 58 -11.252 3.721 -6.544 1.00 75.13 O ATOM 951 OE2 GLU A 58 -11.861 4.642 -4.643 1.00 23.03 O ATOM 0 H GLU A 58 -9.334 0.698 -5.806 1.00 54.34 H new ATOM 0 HA GLU A 58 -9.396 0.734 -2.999 1.00 75.42 H new ATOM 0 HB2 GLU A 58 -11.583 1.229 -5.056 1.00 63.20 H new ATOM 0 HB3 GLU A 58 -11.657 1.710 -3.373 1.00 63.20 H new ATOM 0 HG2 GLU A 58 -9.939 3.332 -3.634 1.00 42.42 H new ATOM 0 HG3 GLU A 58 -9.403 2.651 -5.157 1.00 42.42 H new ATOM 958 N SER A 59 -11.115 -1.661 -4.407 1.00 53.01 N ATOM 959 CA SER A 59 -11.840 -2.893 -4.158 1.00 0.24 C ATOM 960 C SER A 59 -10.900 -3.970 -3.603 1.00 52.40 C ATOM 961 O SER A 59 -11.295 -4.785 -2.770 1.00 72.21 O ATOM 962 CB SER A 59 -12.512 -3.377 -5.451 1.00 41.10 C ATOM 963 OG SER A 59 -13.250 -4.568 -5.238 1.00 5.34 O ATOM 0 H SER A 59 -10.889 -1.499 -5.388 1.00 53.01 H new ATOM 0 HA SER A 59 -12.612 -2.700 -3.413 1.00 0.24 H new ATOM 0 HB2 SER A 59 -13.175 -2.600 -5.831 1.00 41.10 H new ATOM 0 HB3 SER A 59 -11.753 -3.549 -6.214 1.00 41.10 H new ATOM 0 HG SER A 59 -13.667 -4.849 -6.079 1.00 5.34 H new ATOM 969 N LEU A 60 -9.657 -3.962 -4.061 1.00 72.15 N ATOM 970 CA LEU A 60 -8.675 -4.936 -3.606 1.00 5.02 C ATOM 971 C LEU A 60 -8.156 -4.586 -2.213 1.00 64.05 C ATOM 972 O LEU A 60 -8.003 -5.458 -1.363 1.00 25.23 O ATOM 973 CB LEU A 60 -7.504 -5.031 -4.594 1.00 1.44 C ATOM 974 CG LEU A 60 -7.855 -5.510 -6.009 1.00 75.44 C ATOM 975 CD1 LEU A 60 -6.622 -5.502 -6.895 1.00 43.13 C ATOM 976 CD2 LEU A 60 -8.471 -6.901 -5.969 1.00 42.11 C ATOM 0 H LEU A 60 -9.305 -3.293 -4.746 1.00 72.15 H new ATOM 0 HA LEU A 60 -9.171 -5.905 -3.555 1.00 5.02 H new ATOM 0 HB2 LEU A 60 -7.038 -4.049 -4.670 1.00 1.44 H new ATOM 0 HB3 LEU A 60 -6.757 -5.707 -4.178 1.00 1.44 H new ATOM 0 HG LEU A 60 -8.588 -4.822 -6.430 1.00 75.44 H new ATOM 0 HD11 LEU A 60 -6.890 -5.845 -7.894 1.00 43.13 H new ATOM 0 HD12 LEU A 60 -6.222 -4.490 -6.953 1.00 43.13 H new ATOM 0 HD13 LEU A 60 -5.867 -6.166 -6.474 1.00 43.13 H new ATOM 0 HD21 LEU A 60 -8.712 -7.221 -6.983 1.00 42.11 H new ATOM 0 HD22 LEU A 60 -7.762 -7.600 -5.527 1.00 42.11 H new ATOM 0 HD23 LEU A 60 -9.381 -6.879 -5.369 1.00 42.11 H new ATOM 988 N ALA A 61 -7.920 -3.298 -1.981 1.00 24.25 N ATOM 989 CA ALA A 61 -7.378 -2.814 -0.709 1.00 2.35 C ATOM 990 C ALA A 61 -8.371 -2.967 0.437 1.00 41.51 C ATOM 991 O ALA A 61 -7.995 -2.895 1.603 1.00 75.34 O ATOM 992 CB ALA A 61 -6.940 -1.362 -0.838 1.00 33.14 C ATOM 0 H ALA A 61 -8.097 -2.561 -2.664 1.00 24.25 H new ATOM 0 HA ALA A 61 -6.512 -3.432 -0.472 1.00 2.35 H new ATOM 0 HB1 ALA A 61 -6.540 -1.017 0.115 1.00 33.14 H new ATOM 0 HB2 ALA A 61 -6.170 -1.281 -1.606 1.00 33.14 H new ATOM 0 HB3 ALA A 61 -7.796 -0.747 -1.116 1.00 33.14 H new ATOM 998 N SER A 62 -9.629 -3.172 0.109 1.00 14.13 N ATOM 999 CA SER A 62 -10.649 -3.337 1.124 1.00 53.44 C ATOM 1000 C SER A 62 -10.902 -4.813 1.427 1.00 52.40 C ATOM 1001 O SER A 62 -11.661 -5.148 2.339 1.00 65.13 O ATOM 1002 CB SER A 62 -11.942 -2.644 0.690 1.00 55.54 C ATOM 1003 OG SER A 62 -12.229 -2.903 -0.675 1.00 50.20 O ATOM 0 H SER A 62 -9.970 -3.228 -0.851 1.00 14.13 H new ATOM 0 HA SER A 62 -10.291 -2.871 2.042 1.00 53.44 H new ATOM 0 HB2 SER A 62 -12.769 -2.990 1.310 1.00 55.54 H new ATOM 0 HB3 SER A 62 -11.853 -1.569 0.848 1.00 55.54 H new ATOM 0 HG SER A 62 -12.059 -2.096 -1.204 1.00 50.20 H new ATOM 1009 N GLN A 63 -10.249 -5.693 0.677 1.00 3.13 N ATOM 1010 CA GLN A 63 -10.449 -7.125 0.851 1.00 70.34 C ATOM 1011 C GLN A 63 -9.134 -7.859 1.078 1.00 23.41 C ATOM 1012 O GLN A 63 -8.940 -8.493 2.101 1.00 3.21 O ATOM 1013 CB GLN A 63 -11.151 -7.721 -0.370 1.00 1.13 C ATOM 1014 CG GLN A 63 -12.519 -7.130 -0.655 1.00 32.23 C ATOM 1015 CD GLN A 63 -13.145 -7.718 -1.900 1.00 23.03 C ATOM 1016 OE1 GLN A 63 -13.864 -8.714 -1.839 1.00 13.12 O ATOM 1017 NE2 GLN A 63 -12.873 -7.109 -3.038 1.00 20.32 N ATOM 0 H GLN A 63 -9.581 -5.442 -0.052 1.00 3.13 H new ATOM 0 HA GLN A 63 -11.072 -7.253 1.736 1.00 70.34 H new ATOM 0 HB2 GLN A 63 -10.517 -7.578 -1.245 1.00 1.13 H new ATOM 0 HB3 GLN A 63 -11.256 -8.796 -0.225 1.00 1.13 H new ATOM 0 HG2 GLN A 63 -13.174 -7.307 0.198 1.00 32.23 H new ATOM 0 HG3 GLN A 63 -12.430 -6.050 -0.770 1.00 32.23 H new ATOM 0 HE21 GLN A 63 -12.272 -6.285 -3.045 1.00 20.32 H new ATOM 0 HE22 GLN A 63 -13.264 -7.462 -3.911 1.00 20.32 H new ATOM 1026 N PHE A 64 -8.226 -7.742 0.123 1.00 12.23 N ATOM 1027 CA PHE A 64 -6.968 -8.487 0.150 1.00 31.14 C ATOM 1028 C PHE A 64 -5.839 -7.682 0.786 1.00 25.25 C ATOM 1029 O PHE A 64 -4.685 -7.754 0.351 1.00 70.10 O ATOM 1030 CB PHE A 64 -6.587 -8.893 -1.271 1.00 3.12 C ATOM 1031 CG PHE A 64 -7.626 -9.729 -1.955 1.00 71.31 C ATOM 1032 CD1 PHE A 64 -7.742 -11.079 -1.673 1.00 34.21 C ATOM 1033 CD2 PHE A 64 -8.492 -9.164 -2.875 1.00 55.10 C ATOM 1034 CE1 PHE A 64 -8.699 -11.851 -2.297 1.00 53.04 C ATOM 1035 CE2 PHE A 64 -9.451 -9.930 -3.503 1.00 61.44 C ATOM 1036 CZ PHE A 64 -9.556 -11.276 -3.213 1.00 53.20 C ATOM 0 H PHE A 64 -8.334 -7.134 -0.689 1.00 12.23 H new ATOM 0 HA PHE A 64 -7.117 -9.375 0.764 1.00 31.14 H new ATOM 0 HB2 PHE A 64 -6.409 -7.994 -1.861 1.00 3.12 H new ATOM 0 HB3 PHE A 64 -5.648 -9.446 -1.243 1.00 3.12 H new ATOM 0 HD1 PHE A 64 -7.075 -11.533 -0.955 1.00 34.21 H new ATOM 0 HD2 PHE A 64 -8.416 -8.111 -3.104 1.00 55.10 H new ATOM 0 HE1 PHE A 64 -8.778 -12.904 -2.069 1.00 53.04 H new ATOM 0 HE2 PHE A 64 -10.119 -9.478 -4.221 1.00 61.44 H new ATOM 0 HZ PHE A 64 -10.308 -11.878 -3.702 1.00 53.20 H new ATOM 1046 N SER A 65 -6.167 -6.945 1.820 1.00 30.51 N ATOM 1047 CA SER A 65 -5.188 -6.149 2.524 1.00 32.14 C ATOM 1048 C SER A 65 -5.154 -6.575 3.987 1.00 51.31 C ATOM 1049 O SER A 65 -6.196 -6.648 4.641 1.00 25.00 O ATOM 1050 CB SER A 65 -5.540 -4.660 2.401 1.00 61.11 C ATOM 1051 OG SER A 65 -4.481 -3.828 2.851 1.00 65.34 O ATOM 0 H SER A 65 -7.113 -6.879 2.196 1.00 30.51 H new ATOM 0 HA SER A 65 -4.202 -6.305 2.086 1.00 32.14 H new ATOM 0 HB2 SER A 65 -5.770 -4.426 1.362 1.00 61.11 H new ATOM 0 HB3 SER A 65 -6.439 -4.450 2.981 1.00 61.11 H new ATOM 0 HG SER A 65 -4.692 -3.484 3.744 1.00 65.34 H new ATOM 1057 N ASP A 66 -3.961 -6.866 4.498 1.00 52.14 N ATOM 1058 CA ASP A 66 -3.815 -7.320 5.884 1.00 24.41 C ATOM 1059 C ASP A 66 -4.120 -6.192 6.855 1.00 30.02 C ATOM 1060 O ASP A 66 -4.566 -6.424 7.980 1.00 74.23 O ATOM 1061 CB ASP A 66 -2.401 -7.852 6.154 1.00 14.30 C ATOM 1062 CG ASP A 66 -2.019 -9.039 5.291 1.00 0.43 C ATOM 1063 OD1 ASP A 66 -2.624 -10.124 5.439 1.00 62.12 O ATOM 1064 OD2 ASP A 66 -1.109 -8.893 4.453 1.00 74.25 O ATOM 0 H ASP A 66 -3.085 -6.797 3.980 1.00 52.14 H new ATOM 0 HA ASP A 66 -4.528 -8.130 6.034 1.00 24.41 H new ATOM 0 HB2 ASP A 66 -1.683 -7.049 5.989 1.00 14.30 H new ATOM 0 HB3 ASP A 66 -2.324 -8.138 7.203 1.00 14.30 H new ATOM 1069 N SER A 67 -3.875 -4.966 6.412 1.00 21.31 N ATOM 1070 CA SER A 67 -4.115 -3.791 7.232 1.00 51.13 C ATOM 1071 C SER A 67 -5.592 -3.663 7.599 1.00 21.42 C ATOM 1072 O SER A 67 -6.475 -3.979 6.793 1.00 25.04 O ATOM 1073 CB SER A 67 -3.645 -2.533 6.502 1.00 41.33 C ATOM 1074 OG SER A 67 -4.214 -2.458 5.207 1.00 34.00 O ATOM 0 H SER A 67 -3.508 -4.761 5.483 1.00 21.31 H new ATOM 0 HA SER A 67 -3.546 -3.904 8.155 1.00 51.13 H new ATOM 0 HB2 SER A 67 -3.922 -1.649 7.077 1.00 41.33 H new ATOM 0 HB3 SER A 67 -2.558 -2.536 6.426 1.00 41.33 H new ATOM 0 HG SER A 67 -3.901 -1.645 4.759 1.00 34.00 H new ATOM 1080 N SER A 68 -5.854 -3.191 8.807 1.00 5.00 N ATOM 1081 CA SER A 68 -7.214 -3.002 9.278 1.00 34.04 C ATOM 1082 C SER A 68 -7.849 -1.777 8.621 1.00 1.14 C ATOM 1083 O SER A 68 -9.053 -1.538 8.744 1.00 73.42 O ATOM 1084 CB SER A 68 -7.219 -2.862 10.793 1.00 34.41 C ATOM 1085 OG SER A 68 -6.679 -4.028 11.404 1.00 73.32 O ATOM 0 H SER A 68 -5.136 -2.930 9.483 1.00 5.00 H new ATOM 0 HA SER A 68 -7.806 -3.875 9.002 1.00 34.04 H new ATOM 0 HB2 SER A 68 -6.636 -1.988 11.085 1.00 34.41 H new ATOM 0 HB3 SER A 68 -8.237 -2.698 11.145 1.00 34.41 H new ATOM 0 HG SER A 68 -6.688 -3.921 12.378 1.00 73.32 H new ATOM 1091 N SER A 69 -7.025 -1.022 7.904 1.00 10.54 N ATOM 1092 CA SER A 69 -7.459 0.167 7.190 1.00 33.23 C ATOM 1093 C SER A 69 -8.332 -0.202 5.985 1.00 24.34 C ATOM 1094 O SER A 69 -8.849 0.674 5.291 1.00 21.45 O ATOM 1095 CB SER A 69 -6.243 0.968 6.737 1.00 24.33 C ATOM 1096 OG SER A 69 -5.373 1.230 7.829 1.00 54.32 O ATOM 0 H SER A 69 -6.030 -1.221 7.803 1.00 10.54 H new ATOM 0 HA SER A 69 -8.060 0.776 7.865 1.00 33.23 H new ATOM 0 HB2 SER A 69 -5.707 0.417 5.964 1.00 24.33 H new ATOM 0 HB3 SER A 69 -6.567 1.908 6.292 1.00 24.33 H new ATOM 0 HG SER A 69 -4.599 1.743 7.515 1.00 54.32 H new ATOM 1102 N ALA A 70 -8.469 -1.510 5.738 1.00 72.41 N ATOM 1103 CA ALA A 70 -9.271 -2.031 4.630 1.00 41.21 C ATOM 1104 C ALA A 70 -10.700 -1.477 4.649 1.00 51.53 C ATOM 1105 O ALA A 70 -11.308 -1.271 3.602 1.00 34.33 O ATOM 1106 CB ALA A 70 -9.294 -3.551 4.678 1.00 32.43 C ATOM 0 H ALA A 70 -8.026 -2.235 6.302 1.00 72.41 H new ATOM 0 HA ALA A 70 -8.807 -1.703 3.700 1.00 41.21 H new ATOM 0 HB1 ALA A 70 -9.893 -3.932 3.851 1.00 32.43 H new ATOM 0 HB2 ALA A 70 -8.276 -3.933 4.596 1.00 32.43 H new ATOM 0 HB3 ALA A 70 -9.729 -3.879 5.622 1.00 32.43 H new ATOM 1112 N LYS A 71 -11.223 -1.224 5.845 1.00 21.34 N ATOM 1113 CA LYS A 71 -12.571 -0.675 5.989 1.00 22.22 C ATOM 1114 C LYS A 71 -12.640 0.742 5.428 1.00 51.05 C ATOM 1115 O LYS A 71 -13.655 1.154 4.878 1.00 65.32 O ATOM 1116 CB LYS A 71 -13.008 -0.694 7.451 1.00 2.00 C ATOM 1117 CG LYS A 71 -13.214 -2.093 8.009 1.00 72.53 C ATOM 1118 CD LYS A 71 -14.363 -2.807 7.314 1.00 15.33 C ATOM 1119 CE LYS A 71 -14.508 -4.234 7.807 1.00 14.10 C ATOM 1120 NZ LYS A 71 -13.298 -5.045 7.515 1.00 41.03 N ATOM 0 H LYS A 71 -10.737 -1.389 6.727 1.00 21.34 H new ATOM 0 HA LYS A 71 -13.256 -1.303 5.418 1.00 22.22 H new ATOM 0 HB2 LYS A 71 -12.258 -0.180 8.052 1.00 2.00 H new ATOM 0 HB3 LYS A 71 -13.937 -0.132 7.551 1.00 2.00 H new ATOM 0 HG2 LYS A 71 -12.298 -2.672 7.889 1.00 72.53 H new ATOM 0 HG3 LYS A 71 -13.415 -2.033 9.079 1.00 72.53 H new ATOM 0 HD2 LYS A 71 -15.291 -2.263 7.491 1.00 15.33 H new ATOM 0 HD3 LYS A 71 -14.194 -2.808 6.237 1.00 15.33 H new ATOM 0 HE2 LYS A 71 -14.692 -4.230 8.881 1.00 14.10 H new ATOM 0 HE3 LYS A 71 -15.376 -4.695 7.336 1.00 14.10 H new ATOM 0 HZ1 LYS A 71 -13.525 -6.055 7.613 1.00 41.03 H new ATOM 0 HZ2 LYS A 71 -12.978 -4.854 6.544 1.00 41.03 H new ATOM 0 HZ3 LYS A 71 -12.542 -4.794 8.184 1.00 41.03 H new ATOM 1134 N ALA A 72 -11.550 1.470 5.555 1.00 44.12 N ATOM 1135 CA ALA A 72 -11.466 2.812 5.010 1.00 11.31 C ATOM 1136 C ALA A 72 -10.945 2.752 3.578 1.00 61.43 C ATOM 1137 O ALA A 72 -10.659 3.783 2.960 1.00 31.44 O ATOM 1138 CB ALA A 72 -10.559 3.678 5.875 1.00 45.23 C ATOM 0 H ALA A 72 -10.706 1.155 6.033 1.00 44.12 H new ATOM 0 HA ALA A 72 -12.460 3.260 5.005 1.00 11.31 H new ATOM 0 HB1 ALA A 72 -10.505 4.682 5.454 1.00 45.23 H new ATOM 0 HB2 ALA A 72 -10.962 3.730 6.887 1.00 45.23 H new ATOM 0 HB3 ALA A 72 -9.560 3.243 5.904 1.00 45.23 H new ATOM 1144 N ARG A 73 -10.824 1.517 3.061 1.00 51.33 N ATOM 1145 CA ARG A 73 -10.324 1.253 1.705 1.00 52.22 C ATOM 1146 C ARG A 73 -8.870 1.673 1.573 1.00 1.35 C ATOM 1147 O ARG A 73 -8.354 1.833 0.470 1.00 3.20 O ATOM 1148 CB ARG A 73 -11.196 1.941 0.636 1.00 1.45 C ATOM 1149 CG ARG A 73 -12.449 1.160 0.244 1.00 43.34 C ATOM 1150 CD ARG A 73 -13.392 0.942 1.423 1.00 42.43 C ATOM 1151 NE ARG A 73 -14.476 0.021 1.085 1.00 41.14 N ATOM 1152 CZ ARG A 73 -15.388 -0.440 1.950 1.00 35.40 C ATOM 1153 NH1 ARG A 73 -15.397 -0.019 3.206 1.00 74.40 N ATOM 1154 NH2 ARG A 73 -16.297 -1.317 1.546 1.00 73.02 N ATOM 0 H ARG A 73 -11.072 0.672 3.576 1.00 51.33 H new ATOM 0 HA ARG A 73 -10.385 0.178 1.535 1.00 52.22 H new ATOM 0 HB2 ARG A 73 -11.495 2.922 1.005 1.00 1.45 H new ATOM 0 HB3 ARG A 73 -10.592 2.107 -0.256 1.00 1.45 H new ATOM 0 HG2 ARG A 73 -12.976 1.697 -0.545 1.00 43.34 H new ATOM 0 HG3 ARG A 73 -12.157 0.194 -0.168 1.00 43.34 H new ATOM 0 HD2 ARG A 73 -12.831 0.548 2.270 1.00 42.43 H new ATOM 0 HD3 ARG A 73 -13.811 1.898 1.736 1.00 42.43 H new ATOM 0 HE ARG A 73 -14.542 -0.294 0.117 1.00 41.14 H new ATOM 0 HH11 ARG A 73 -14.706 0.662 3.521 1.00 74.40 H new ATOM 0 HH12 ARG A 73 -16.095 -0.375 3.858 1.00 74.40 H new ATOM 0 HH21 ARG A 73 -16.300 -1.639 0.578 1.00 73.02 H new ATOM 0 HH22 ARG A 73 -16.993 -1.670 2.203 1.00 73.02 H new ATOM 1168 N GLY A 74 -8.208 1.826 2.715 1.00 34.24 N ATOM 1169 CA GLY A 74 -6.824 2.234 2.729 1.00 44.32 C ATOM 1170 C GLY A 74 -6.633 3.658 2.252 1.00 1.11 C ATOM 1171 O GLY A 74 -5.538 4.040 1.863 1.00 50.32 O ATOM 0 H GLY A 74 -8.615 1.672 3.638 1.00 34.24 H new ATOM 0 HA2 GLY A 74 -6.431 2.138 3.741 1.00 44.32 H new ATOM 0 HA3 GLY A 74 -6.244 1.562 2.096 1.00 44.32 H new ATOM 1175 N ASP A 75 -7.690 4.443 2.283 1.00 23.11 N ATOM 1176 CA ASP A 75 -7.620 5.825 1.833 1.00 14.34 C ATOM 1177 C ASP A 75 -7.293 6.759 2.983 1.00 3.50 C ATOM 1178 O ASP A 75 -7.793 6.586 4.093 1.00 14.20 O ATOM 1179 CB ASP A 75 -8.931 6.244 1.172 1.00 43.21 C ATOM 1180 CG ASP A 75 -8.930 7.700 0.760 1.00 0.55 C ATOM 1181 OD1 ASP A 75 -8.189 8.056 -0.172 1.00 63.22 O ATOM 1182 OD2 ASP A 75 -9.669 8.497 1.371 1.00 43.23 O ATOM 0 H ASP A 75 -8.609 4.151 2.614 1.00 23.11 H new ATOM 0 HA ASP A 75 -6.819 5.894 1.097 1.00 14.34 H new ATOM 0 HB2 ASP A 75 -9.108 5.621 0.295 1.00 43.21 H new ATOM 0 HB3 ASP A 75 -9.756 6.065 1.862 1.00 43.21 H new ATOM 1187 N LEU A 76 -6.436 7.732 2.719 1.00 73.24 N ATOM 1188 CA LEU A 76 -6.050 8.716 3.725 1.00 12.12 C ATOM 1189 C LEU A 76 -6.517 10.104 3.327 1.00 31.34 C ATOM 1190 O LEU A 76 -6.254 11.083 4.030 1.00 50.34 O ATOM 1191 CB LEU A 76 -4.531 8.728 3.912 1.00 61.13 C ATOM 1192 CG LEU A 76 -3.919 7.491 4.563 1.00 31.32 C ATOM 1193 CD1 LEU A 76 -2.403 7.586 4.549 1.00 31.10 C ATOM 1194 CD2 LEU A 76 -4.425 7.337 5.988 1.00 23.14 C ATOM 0 H LEU A 76 -5.990 7.864 1.811 1.00 73.24 H new ATOM 0 HA LEU A 76 -6.526 8.435 4.664 1.00 12.12 H new ATOM 0 HB2 LEU A 76 -4.067 8.865 2.935 1.00 61.13 H new ATOM 0 HB3 LEU A 76 -4.268 9.597 4.515 1.00 61.13 H new ATOM 0 HG LEU A 76 -4.220 6.612 3.992 1.00 31.32 H new ATOM 0 HD11 LEU A 76 -1.978 6.697 5.016 1.00 31.10 H new ATOM 0 HD12 LEU A 76 -2.052 7.657 3.519 1.00 31.10 H new ATOM 0 HD13 LEU A 76 -2.089 8.472 5.101 1.00 31.10 H new ATOM 0 HD21 LEU A 76 -3.979 6.450 6.439 1.00 23.14 H new ATOM 0 HD22 LEU A 76 -4.149 8.217 6.569 1.00 23.14 H new ATOM 0 HD23 LEU A 76 -5.510 7.233 5.980 1.00 23.14 H new ATOM 1206 N GLY A 77 -7.213 10.189 2.206 1.00 72.33 N ATOM 1207 CA GLY A 77 -7.655 11.472 1.718 1.00 13.14 C ATOM 1208 C GLY A 77 -6.496 12.279 1.188 1.00 20.11 C ATOM 1209 O GLY A 77 -5.478 11.713 0.787 1.00 53.42 O ATOM 0 H GLY A 77 -7.479 9.392 1.627 1.00 72.33 H new ATOM 0 HA2 GLY A 77 -8.394 11.330 0.930 1.00 13.14 H new ATOM 0 HA3 GLY A 77 -8.147 12.020 2.521 1.00 13.14 H new ATOM 1213 N ALA A 78 -6.633 13.585 1.189 1.00 55.14 N ATOM 1214 CA ALA A 78 -5.577 14.450 0.713 1.00 11.35 C ATOM 1215 C ALA A 78 -4.672 14.859 1.863 1.00 33.23 C ATOM 1216 O ALA A 78 -5.066 15.640 2.730 1.00 70.23 O ATOM 1217 CB ALA A 78 -6.159 15.677 0.024 1.00 70.15 C ATOM 0 H ALA A 78 -7.467 14.073 1.515 1.00 55.14 H new ATOM 0 HA ALA A 78 -4.982 13.901 -0.017 1.00 11.35 H new ATOM 0 HB1 ALA A 78 -5.349 16.316 -0.327 1.00 70.15 H new ATOM 0 HB2 ALA A 78 -6.768 15.364 -0.824 1.00 70.15 H new ATOM 0 HB3 ALA A 78 -6.778 16.231 0.730 1.00 70.15 H new ATOM 1223 N PHE A 79 -3.472 14.321 1.876 1.00 53.24 N ATOM 1224 CA PHE A 79 -2.510 14.625 2.923 1.00 63.23 C ATOM 1225 C PHE A 79 -1.289 15.326 2.344 1.00 12.33 C ATOM 1226 O PHE A 79 -1.153 15.435 1.117 1.00 43.33 O ATOM 1227 CB PHE A 79 -2.112 13.351 3.690 1.00 2.33 C ATOM 1228 CG PHE A 79 -1.676 12.206 2.812 1.00 14.12 C ATOM 1229 CD1 PHE A 79 -2.609 11.329 2.280 1.00 34.42 C ATOM 1230 CD2 PHE A 79 -0.340 12.006 2.526 1.00 43.41 C ATOM 1231 CE1 PHE A 79 -2.214 10.275 1.481 1.00 33.21 C ATOM 1232 CE2 PHE A 79 0.060 10.956 1.728 1.00 44.32 C ATOM 1233 CZ PHE A 79 -0.878 10.089 1.204 1.00 51.43 C ATOM 0 H PHE A 79 -3.134 13.666 1.171 1.00 53.24 H new ATOM 0 HA PHE A 79 -2.981 15.305 3.633 1.00 63.23 H new ATOM 0 HB2 PHE A 79 -1.302 13.594 4.378 1.00 2.33 H new ATOM 0 HB3 PHE A 79 -2.958 13.027 4.295 1.00 2.33 H new ATOM 0 HD1 PHE A 79 -3.658 11.472 2.493 1.00 34.42 H new ATOM 0 HD2 PHE A 79 0.400 12.680 2.932 1.00 43.41 H new ATOM 0 HE1 PHE A 79 -2.951 9.598 1.074 1.00 33.21 H new ATOM 0 HE2 PHE A 79 1.108 10.811 1.512 1.00 44.32 H new ATOM 0 HZ PHE A 79 -0.565 9.267 0.578 1.00 51.43 H new ATOM 1243 N SER A 80 -0.410 15.806 3.214 1.00 71.45 N ATOM 1244 CA SER A 80 0.760 16.541 2.778 1.00 53.23 C ATOM 1245 C SER A 80 1.838 16.576 3.868 1.00 2.24 C ATOM 1246 O SER A 80 1.599 16.165 5.008 1.00 2.11 O ATOM 1247 CB SER A 80 0.350 17.968 2.400 1.00 51.31 C ATOM 1248 OG SER A 80 1.423 18.677 1.812 1.00 35.21 O ATOM 0 H SER A 80 -0.489 15.697 4.225 1.00 71.45 H new ATOM 0 HA SER A 80 1.182 16.034 1.910 1.00 53.23 H new ATOM 0 HB2 SER A 80 -0.489 17.935 1.705 1.00 51.31 H new ATOM 0 HB3 SER A 80 0.007 18.497 3.289 1.00 51.31 H new ATOM 0 HG SER A 80 1.376 18.592 0.837 1.00 35.21 H new ATOM 1254 N ARG A 81 3.021 17.084 3.489 1.00 0.04 N ATOM 1255 CA ARG A 81 4.180 17.235 4.378 1.00 22.13 C ATOM 1256 C ARG A 81 4.725 15.900 4.875 1.00 41.04 C ATOM 1257 O ARG A 81 5.687 15.372 4.316 1.00 32.44 O ATOM 1258 CB ARG A 81 3.875 18.170 5.554 1.00 33.22 C ATOM 1259 CG ARG A 81 3.585 19.603 5.143 1.00 13.32 C ATOM 1260 CD ARG A 81 3.426 20.505 6.356 1.00 12.53 C ATOM 1261 NE ARG A 81 4.653 20.570 7.155 1.00 30.34 N ATOM 1262 CZ ARG A 81 4.726 21.065 8.394 1.00 53.34 C ATOM 1263 NH1 ARG A 81 3.632 21.527 8.998 1.00 73.34 N ATOM 1264 NH2 ARG A 81 5.892 21.092 9.028 1.00 50.32 N ATOM 0 H ARG A 81 3.201 17.407 2.538 1.00 0.04 H new ATOM 0 HA ARG A 81 4.963 17.692 3.773 1.00 22.13 H new ATOM 0 HB2 ARG A 81 3.018 17.780 6.103 1.00 33.22 H new ATOM 0 HB3 ARG A 81 4.722 18.164 6.240 1.00 33.22 H new ATOM 0 HG2 ARG A 81 4.395 19.974 4.515 1.00 13.32 H new ATOM 0 HG3 ARG A 81 2.676 19.634 4.542 1.00 13.32 H new ATOM 0 HD2 ARG A 81 3.153 21.508 6.029 1.00 12.53 H new ATOM 0 HD3 ARG A 81 2.608 20.138 6.976 1.00 12.53 H new ATOM 0 HE ARG A 81 5.511 20.212 6.736 1.00 30.34 H new ATOM 0 HH11 ARG A 81 2.734 21.504 8.515 1.00 73.34 H new ATOM 0 HH12 ARG A 81 3.692 21.904 9.944 1.00 73.34 H new ATOM 0 HH21 ARG A 81 6.730 20.735 8.569 1.00 50.32 H new ATOM 0 HH22 ARG A 81 5.950 21.470 9.974 1.00 50.32 H new ATOM 1278 N GLY A 82 4.112 15.360 5.908 1.00 3.25 N ATOM 1279 CA GLY A 82 4.586 14.124 6.478 1.00 12.33 C ATOM 1280 C GLY A 82 3.675 13.612 7.555 1.00 2.44 C ATOM 1281 O GLY A 82 3.876 13.894 8.743 1.00 21.35 O ATOM 0 H GLY A 82 3.291 15.757 6.365 1.00 3.25 H new ATOM 0 HA2 GLY A 82 4.675 13.374 5.692 1.00 12.33 H new ATOM 0 HA3 GLY A 82 5.584 14.274 6.889 1.00 12.33 H new ATOM 1285 N GLN A 83 2.675 12.865 7.153 1.00 21.02 N ATOM 1286 CA GLN A 83 1.715 12.311 8.077 1.00 54.03 C ATOM 1287 C GLN A 83 2.030 10.843 8.316 1.00 2.00 C ATOM 1288 O GLN A 83 1.665 10.271 9.347 1.00 3.53 O ATOM 1289 CB GLN A 83 0.295 12.466 7.524 1.00 31.35 C ATOM 1290 CG GLN A 83 -0.062 13.897 7.125 1.00 32.44 C ATOM 1291 CD GLN A 83 0.047 14.878 8.277 1.00 54.40 C ATOM 1292 OE1 GLN A 83 1.102 15.475 8.510 1.00 23.11 O ATOM 1293 NE2 GLN A 83 -1.035 15.060 8.999 1.00 34.12 N ATOM 0 H GLN A 83 2.504 12.624 6.177 1.00 21.02 H new ATOM 0 HA GLN A 83 1.776 12.849 9.023 1.00 54.03 H new ATOM 0 HB2 GLN A 83 0.182 11.818 6.655 1.00 31.35 H new ATOM 0 HB3 GLN A 83 -0.416 12.120 8.274 1.00 31.35 H new ATOM 0 HG2 GLN A 83 0.596 14.218 6.318 1.00 32.44 H new ATOM 0 HG3 GLN A 83 -1.079 13.916 6.734 1.00 32.44 H new ATOM 0 HE21 GLN A 83 -1.889 14.548 8.776 1.00 34.12 H new ATOM 0 HE22 GLN A 83 -1.021 15.713 9.783 1.00 34.12 H new ATOM 1302 N MET A 84 2.707 10.243 7.356 1.00 25.12 N ATOM 1303 CA MET A 84 3.106 8.854 7.440 1.00 71.25 C ATOM 1304 C MET A 84 4.635 8.764 7.519 1.00 33.42 C ATOM 1305 O MET A 84 5.320 9.780 7.387 1.00 64.31 O ATOM 1306 CB MET A 84 2.583 8.097 6.211 1.00 4.12 C ATOM 1307 CG MET A 84 2.584 6.582 6.350 1.00 13.12 C ATOM 1308 SD MET A 84 1.580 6.002 7.732 1.00 23.22 S ATOM 1309 CE MET A 84 -0.016 6.710 7.315 1.00 24.21 C ATOM 0 H MET A 84 2.996 10.707 6.495 1.00 25.12 H new ATOM 0 HA MET A 84 2.683 8.401 8.337 1.00 71.25 H new ATOM 0 HB2 MET A 84 1.566 8.429 6.003 1.00 4.12 H new ATOM 0 HB3 MET A 84 3.190 8.370 5.348 1.00 4.12 H new ATOM 0 HG2 MET A 84 2.213 6.137 5.426 1.00 13.12 H new ATOM 0 HG3 MET A 84 3.609 6.235 6.482 1.00 13.12 H new ATOM 0 HE1 MET A 84 -0.807 6.012 7.589 1.00 24.21 H new ATOM 0 HE2 MET A 84 -0.153 7.645 7.859 1.00 24.21 H new ATOM 0 HE3 MET A 84 -0.059 6.904 6.243 1.00 24.21 H new ATOM 1319 N GLN A 85 5.163 7.562 7.764 1.00 44.01 N ATOM 1320 CA GLN A 85 6.615 7.350 7.824 1.00 2.40 C ATOM 1321 C GLN A 85 7.296 7.835 6.551 1.00 15.24 C ATOM 1322 O GLN A 85 6.773 7.648 5.455 1.00 20.15 O ATOM 1323 CB GLN A 85 6.932 5.874 8.062 1.00 35.14 C ATOM 1324 CG GLN A 85 6.698 5.424 9.487 1.00 30.12 C ATOM 1325 CD GLN A 85 7.624 6.118 10.464 1.00 50.35 C ATOM 1326 OE1 GLN A 85 7.301 7.174 11.000 1.00 72.25 O ATOM 1327 NE2 GLN A 85 8.784 5.535 10.690 1.00 63.01 N ATOM 0 H GLN A 85 4.609 6.721 7.924 1.00 44.01 H new ATOM 0 HA GLN A 85 7.002 7.933 8.660 1.00 2.40 H new ATOM 0 HB2 GLN A 85 6.320 5.268 7.394 1.00 35.14 H new ATOM 0 HB3 GLN A 85 7.973 5.688 7.798 1.00 35.14 H new ATOM 0 HG2 GLN A 85 5.663 5.624 9.764 1.00 30.12 H new ATOM 0 HG3 GLN A 85 6.843 4.346 9.554 1.00 30.12 H new ATOM 0 HE21 GLN A 85 9.013 4.657 10.224 1.00 63.01 H new ATOM 0 HE22 GLN A 85 9.453 5.961 11.331 1.00 63.01 H new ATOM 1336 N LYS A 86 8.476 8.435 6.709 1.00 52.52 N ATOM 1337 CA LYS A 86 9.218 9.023 5.588 1.00 42.13 C ATOM 1338 C LYS A 86 9.380 8.067 4.381 1.00 41.40 C ATOM 1339 O LYS A 86 9.087 8.464 3.263 1.00 12.10 O ATOM 1340 CB LYS A 86 10.582 9.568 6.041 1.00 50.22 C ATOM 1341 CG LYS A 86 11.317 10.353 4.962 1.00 25.35 C ATOM 1342 CD LYS A 86 10.516 11.576 4.530 1.00 64.35 C ATOM 1343 CE LYS A 86 11.205 12.332 3.407 1.00 12.04 C ATOM 1344 NZ LYS A 86 12.550 12.815 3.803 1.00 64.53 N ATOM 0 H LYS A 86 8.944 8.528 7.611 1.00 52.52 H new ATOM 0 HA LYS A 86 8.608 9.856 5.238 1.00 42.13 H new ATOM 0 HB2 LYS A 86 10.436 10.210 6.910 1.00 50.22 H new ATOM 0 HB3 LYS A 86 11.208 8.735 6.362 1.00 50.22 H new ATOM 0 HG2 LYS A 86 12.291 10.667 5.336 1.00 25.35 H new ATOM 0 HG3 LYS A 86 11.498 9.710 4.100 1.00 25.35 H new ATOM 0 HD2 LYS A 86 9.524 11.264 4.203 1.00 64.35 H new ATOM 0 HD3 LYS A 86 10.377 12.240 5.383 1.00 64.35 H new ATOM 0 HE2 LYS A 86 11.295 11.683 2.536 1.00 12.04 H new ATOM 0 HE3 LYS A 86 10.588 13.180 3.110 1.00 12.04 H new ATOM 0 HZ1 LYS A 86 12.906 13.478 3.085 1.00 64.53 H new ATOM 0 HZ2 LYS A 86 12.488 13.300 4.721 1.00 64.53 H new ATOM 0 HZ3 LYS A 86 13.200 12.007 3.881 1.00 64.53 H new ATOM 1358 N PRO A 87 9.854 6.795 4.575 1.00 71.32 N ATOM 1359 CA PRO A 87 10.008 5.836 3.457 1.00 4.24 C ATOM 1360 C PRO A 87 8.722 5.689 2.637 1.00 21.00 C ATOM 1361 O PRO A 87 8.763 5.536 1.414 1.00 2.21 O ATOM 1362 CB PRO A 87 10.339 4.518 4.164 1.00 52.21 C ATOM 1363 CG PRO A 87 10.979 4.930 5.442 1.00 14.35 C ATOM 1364 CD PRO A 87 10.296 6.202 5.859 1.00 25.43 C ATOM 0 HA PRO A 87 10.768 6.159 2.745 1.00 4.24 H new ATOM 0 HB2 PRO A 87 9.441 3.927 4.343 1.00 52.21 H new ATOM 0 HB3 PRO A 87 11.010 3.904 3.564 1.00 52.21 H new ATOM 0 HG2 PRO A 87 10.863 4.158 6.203 1.00 14.35 H new ATOM 0 HG3 PRO A 87 12.049 5.088 5.309 1.00 14.35 H new ATOM 0 HD2 PRO A 87 9.453 6.006 6.522 1.00 25.43 H new ATOM 0 HD3 PRO A 87 10.975 6.865 6.395 1.00 25.43 H new ATOM 1372 N PHE A 88 7.590 5.763 3.323 1.00 5.34 N ATOM 1373 CA PHE A 88 6.287 5.640 2.690 1.00 54.13 C ATOM 1374 C PHE A 88 5.867 6.973 2.080 1.00 60.40 C ATOM 1375 O PHE A 88 5.501 7.040 0.908 1.00 73.01 O ATOM 1376 CB PHE A 88 5.249 5.182 3.731 1.00 43.35 C ATOM 1377 CG PHE A 88 3.845 5.011 3.202 1.00 31.15 C ATOM 1378 CD1 PHE A 88 2.997 6.103 3.069 1.00 11.25 C ATOM 1379 CD2 PHE A 88 3.371 3.760 2.855 1.00 61.24 C ATOM 1380 CE1 PHE A 88 1.708 5.948 2.602 1.00 24.30 C ATOM 1381 CE2 PHE A 88 2.082 3.600 2.384 1.00 62.54 C ATOM 1382 CZ PHE A 88 1.252 4.695 2.258 1.00 45.35 C ATOM 0 H PHE A 88 7.550 5.910 4.332 1.00 5.34 H new ATOM 0 HA PHE A 88 6.347 4.899 1.893 1.00 54.13 H new ATOM 0 HB2 PHE A 88 5.578 4.234 4.157 1.00 43.35 H new ATOM 0 HB3 PHE A 88 5.229 5.907 4.544 1.00 43.35 H new ATOM 0 HD1 PHE A 88 3.352 7.088 3.335 1.00 11.25 H new ATOM 0 HD2 PHE A 88 4.015 2.898 2.953 1.00 61.24 H new ATOM 0 HE1 PHE A 88 1.059 6.806 2.507 1.00 24.30 H new ATOM 0 HE2 PHE A 88 1.724 2.617 2.114 1.00 62.54 H new ATOM 0 HZ PHE A 88 0.245 4.569 1.890 1.00 45.35 H new ATOM 1392 N GLU A 89 5.956 8.030 2.880 1.00 60.55 N ATOM 1393 CA GLU A 89 5.538 9.368 2.468 1.00 64.12 C ATOM 1394 C GLU A 89 6.352 9.852 1.271 1.00 64.05 C ATOM 1395 O GLU A 89 5.870 10.631 0.440 1.00 11.42 O ATOM 1396 CB GLU A 89 5.696 10.342 3.628 1.00 65.22 C ATOM 1397 CG GLU A 89 4.742 11.511 3.563 1.00 51.13 C ATOM 1398 CD GLU A 89 3.316 11.096 3.847 1.00 63.40 C ATOM 1399 OE1 GLU A 89 2.736 10.365 3.023 1.00 11.45 O ATOM 1400 OE2 GLU A 89 2.780 11.496 4.905 1.00 71.10 O ATOM 0 H GLU A 89 6.319 7.985 3.832 1.00 60.55 H new ATOM 0 HA GLU A 89 4.490 9.322 2.173 1.00 64.12 H new ATOM 0 HB2 GLU A 89 5.541 9.808 4.565 1.00 65.22 H new ATOM 0 HB3 GLU A 89 6.719 10.718 3.641 1.00 65.22 H new ATOM 0 HG2 GLU A 89 5.049 12.270 4.283 1.00 51.13 H new ATOM 0 HG3 GLU A 89 4.796 11.969 2.575 1.00 51.13 H new ATOM 1407 N ASP A 90 7.584 9.389 1.191 1.00 21.10 N ATOM 1408 CA ASP A 90 8.468 9.724 0.088 1.00 2.34 C ATOM 1409 C ASP A 90 7.883 9.227 -1.232 1.00 73.02 C ATOM 1410 O ASP A 90 8.091 9.831 -2.290 1.00 22.20 O ATOM 1411 CB ASP A 90 9.853 9.113 0.331 1.00 32.14 C ATOM 1412 CG ASP A 90 10.822 9.363 -0.798 1.00 75.15 C ATOM 1413 OD1 ASP A 90 11.285 10.513 -0.947 1.00 24.22 O ATOM 1414 OD2 ASP A 90 11.146 8.404 -1.527 1.00 15.02 O ATOM 0 H ASP A 90 8.001 8.771 1.887 1.00 21.10 H new ATOM 0 HA ASP A 90 8.568 10.808 0.027 1.00 2.34 H new ATOM 0 HB2 ASP A 90 10.266 9.522 1.253 1.00 32.14 H new ATOM 0 HB3 ASP A 90 9.747 8.038 0.479 1.00 32.14 H new ATOM 1419 N ALA A 91 7.123 8.144 -1.154 1.00 61.34 N ATOM 1420 CA ALA A 91 6.490 7.562 -2.321 1.00 25.25 C ATOM 1421 C ALA A 91 5.109 8.171 -2.553 1.00 32.40 C ATOM 1422 O ALA A 91 4.610 8.176 -3.672 1.00 3.23 O ATOM 1423 CB ALA A 91 6.383 6.054 -2.167 1.00 35.42 C ATOM 0 H ALA A 91 6.931 7.649 -0.283 1.00 61.34 H new ATOM 0 HA ALA A 91 7.110 7.783 -3.190 1.00 25.25 H new ATOM 0 HB1 ALA A 91 5.906 5.631 -3.051 1.00 35.42 H new ATOM 0 HB2 ALA A 91 7.380 5.628 -2.054 1.00 35.42 H new ATOM 0 HB3 ALA A 91 5.786 5.820 -1.285 1.00 35.42 H new ATOM 1429 N SER A 92 4.502 8.689 -1.490 1.00 53.24 N ATOM 1430 CA SER A 92 3.182 9.309 -1.576 1.00 64.44 C ATOM 1431 C SER A 92 3.187 10.479 -2.561 1.00 13.34 C ATOM 1432 O SER A 92 2.254 10.649 -3.350 1.00 31.13 O ATOM 1433 CB SER A 92 2.737 9.800 -0.201 1.00 34.14 C ATOM 1434 OG SER A 92 2.823 8.773 0.767 1.00 0.24 O ATOM 0 H SER A 92 4.905 8.692 -0.553 1.00 53.24 H new ATOM 0 HA SER A 92 2.482 8.555 -1.935 1.00 64.44 H new ATOM 0 HB2 SER A 92 3.357 10.643 0.104 1.00 34.14 H new ATOM 0 HB3 SER A 92 1.711 10.164 -0.257 1.00 34.14 H new ATOM 0 HG SER A 92 2.647 9.146 1.656 1.00 0.24 H new ATOM 1440 N PHE A 93 4.252 11.272 -2.520 1.00 32.11 N ATOM 1441 CA PHE A 93 4.375 12.437 -3.390 1.00 0.14 C ATOM 1442 C PHE A 93 5.085 12.080 -4.692 1.00 11.41 C ATOM 1443 O PHE A 93 5.485 12.957 -5.451 1.00 43.24 O ATOM 1444 CB PHE A 93 5.137 13.561 -2.680 1.00 31.13 C ATOM 1445 CG PHE A 93 4.552 13.956 -1.353 1.00 32.22 C ATOM 1446 CD1 PHE A 93 3.306 14.556 -1.279 1.00 65.02 C ATOM 1447 CD2 PHE A 93 5.250 13.732 -0.180 1.00 64.41 C ATOM 1448 CE1 PHE A 93 2.770 14.921 -0.061 1.00 23.41 C ATOM 1449 CE2 PHE A 93 4.720 14.094 1.040 1.00 51.11 C ATOM 1450 CZ PHE A 93 3.478 14.689 1.100 1.00 4.31 C ATOM 0 H PHE A 93 5.044 11.129 -1.893 1.00 32.11 H new ATOM 0 HA PHE A 93 3.368 12.780 -3.626 1.00 0.14 H new ATOM 0 HB2 PHE A 93 6.170 13.247 -2.531 1.00 31.13 H new ATOM 0 HB3 PHE A 93 5.161 14.436 -3.329 1.00 31.13 H new ATOM 0 HD1 PHE A 93 2.748 14.740 -2.185 1.00 65.02 H new ATOM 0 HD2 PHE A 93 6.224 13.267 -0.221 1.00 64.41 H new ATOM 0 HE1 PHE A 93 1.797 15.388 -0.017 1.00 23.41 H new ATOM 0 HE2 PHE A 93 5.277 13.912 1.947 1.00 51.11 H new ATOM 0 HZ PHE A 93 3.060 14.973 2.054 1.00 4.31 H new ATOM 1460 N ALA A 94 5.233 10.791 -4.952 1.00 21.41 N ATOM 1461 CA ALA A 94 5.906 10.342 -6.159 1.00 43.32 C ATOM 1462 C ALA A 94 4.944 10.275 -7.334 1.00 64.11 C ATOM 1463 O ALA A 94 5.350 10.413 -8.488 1.00 0.22 O ATOM 1464 CB ALA A 94 6.566 8.988 -5.938 1.00 72.23 C ATOM 0 H ALA A 94 4.898 10.041 -4.347 1.00 21.41 H new ATOM 0 HA ALA A 94 6.680 11.072 -6.396 1.00 43.32 H new ATOM 0 HB1 ALA A 94 7.064 8.672 -6.855 1.00 72.23 H new ATOM 0 HB2 ALA A 94 7.300 9.067 -5.136 1.00 72.23 H new ATOM 0 HB3 ALA A 94 5.808 8.254 -5.665 1.00 72.23 H new ATOM 1470 N LEU A 95 3.671 10.080 -7.037 1.00 22.33 N ATOM 1471 CA LEU A 95 2.656 9.966 -8.074 1.00 62.54 C ATOM 1472 C LEU A 95 2.267 11.345 -8.594 1.00 44.45 C ATOM 1473 O LEU A 95 1.928 12.237 -7.815 1.00 51.21 O ATOM 1474 CB LEU A 95 1.402 9.237 -7.552 1.00 41.02 C ATOM 1475 CG LEU A 95 1.604 7.827 -6.959 1.00 71.42 C ATOM 1476 CD1 LEU A 95 2.605 7.022 -7.768 1.00 64.00 C ATOM 1477 CD2 LEU A 95 2.010 7.894 -5.495 1.00 75.15 C ATOM 0 H LEU A 95 3.314 9.997 -6.085 1.00 22.33 H new ATOM 0 HA LEU A 95 3.082 9.381 -8.889 1.00 62.54 H new ATOM 0 HB2 LEU A 95 0.941 9.862 -6.788 1.00 41.02 H new ATOM 0 HB3 LEU A 95 0.689 9.160 -8.373 1.00 41.02 H new ATOM 0 HG LEU A 95 0.645 7.312 -7.014 1.00 71.42 H new ATOM 0 HD11 LEU A 95 2.723 6.034 -7.322 1.00 64.00 H new ATOM 0 HD12 LEU A 95 2.245 6.917 -8.792 1.00 64.00 H new ATOM 0 HD13 LEU A 95 3.566 7.535 -7.772 1.00 64.00 H new ATOM 0 HD21 LEU A 95 2.144 6.884 -5.108 1.00 75.15 H new ATOM 0 HD22 LEU A 95 2.946 8.446 -5.402 1.00 75.15 H new ATOM 0 HD23 LEU A 95 1.232 8.401 -4.924 1.00 75.15 H new ATOM 1489 N ARG A 96 2.318 11.512 -9.905 1.00 43.51 N ATOM 1490 CA ARG A 96 1.988 12.784 -10.529 1.00 0.11 C ATOM 1491 C ARG A 96 0.488 12.901 -10.780 1.00 23.00 C ATOM 1492 O ARG A 96 -0.185 13.718 -10.160 1.00 22.12 O ATOM 1493 CB ARG A 96 2.752 12.951 -11.847 1.00 51.14 C ATOM 1494 CG ARG A 96 4.261 12.817 -11.713 1.00 50.22 C ATOM 1495 CD ARG A 96 4.852 13.916 -10.848 1.00 32.32 C ATOM 1496 NE ARG A 96 6.285 13.719 -10.634 1.00 31.34 N ATOM 1497 CZ ARG A 96 7.069 14.534 -9.931 1.00 20.31 C ATOM 1498 NH1 ARG A 96 6.581 15.656 -9.417 1.00 52.03 N ATOM 1499 NH2 ARG A 96 8.349 14.235 -9.754 1.00 75.44 N ATOM 0 H ARG A 96 2.586 10.779 -10.561 1.00 43.51 H new ATOM 0 HA ARG A 96 2.285 13.577 -9.843 1.00 0.11 H new ATOM 0 HB2 ARG A 96 2.394 12.207 -12.559 1.00 51.14 H new ATOM 0 HB3 ARG A 96 2.521 13.930 -12.267 1.00 51.14 H new ATOM 0 HG2 ARG A 96 4.502 11.846 -11.281 1.00 50.22 H new ATOM 0 HG3 ARG A 96 4.718 12.848 -12.702 1.00 50.22 H new ATOM 0 HD2 ARG A 96 4.684 14.883 -11.322 1.00 32.32 H new ATOM 0 HD3 ARG A 96 4.339 13.939 -9.886 1.00 32.32 H new ATOM 0 HE ARG A 96 6.716 12.896 -11.055 1.00 31.34 H new ATOM 0 HH11 ARG A 96 5.600 15.898 -9.560 1.00 52.03 H new ATOM 0 HH12 ARG A 96 7.186 16.276 -8.879 1.00 52.03 H new ATOM 0 HH21 ARG A 96 8.733 13.380 -10.157 1.00 75.44 H new ATOM 0 HH22 ARG A 96 8.949 14.860 -9.215 1.00 75.44 H new ATOM 1513 N THR A 97 -0.029 12.079 -11.683 1.00 3.33 N ATOM 1514 CA THR A 97 -1.443 12.124 -12.035 1.00 2.25 C ATOM 1515 C THR A 97 -2.021 10.723 -12.188 1.00 73.12 C ATOM 1516 O THR A 97 -1.722 10.023 -13.160 1.00 4.31 O ATOM 1517 CB THR A 97 -1.657 12.905 -13.348 1.00 53.31 C ATOM 1518 OG1 THR A 97 -1.107 14.221 -13.220 1.00 2.40 O ATOM 1519 CG2 THR A 97 -3.137 13.004 -13.696 1.00 70.24 C ATOM 0 H THR A 97 0.509 11.373 -12.185 1.00 3.33 H new ATOM 0 HA THR A 97 -1.960 12.633 -11.222 1.00 2.25 H new ATOM 0 HB THR A 97 -1.152 12.367 -14.150 1.00 53.31 H new ATOM 0 HG1 THR A 97 -1.243 14.715 -14.056 1.00 2.40 H new ATOM 0 HG21 THR A 97 -3.256 13.560 -14.626 1.00 70.24 H new ATOM 0 HG22 THR A 97 -3.550 12.003 -13.816 1.00 70.24 H new ATOM 0 HG23 THR A 97 -3.665 13.521 -12.895 1.00 70.24 H new ATOM 1527 N GLY A 98 -2.849 10.326 -11.223 1.00 13.01 N ATOM 1528 CA GLY A 98 -3.479 9.011 -11.245 1.00 72.55 C ATOM 1529 C GLY A 98 -2.490 7.879 -11.446 1.00 31.14 C ATOM 1530 O GLY A 98 -2.732 6.966 -12.235 1.00 4.54 O ATOM 0 H GLY A 98 -3.098 10.898 -10.416 1.00 13.01 H new ATOM 0 HA2 GLY A 98 -4.014 8.856 -10.308 1.00 72.55 H new ATOM 0 HA3 GLY A 98 -4.220 8.984 -12.044 1.00 72.55 H new ATOM 1534 N GLU A 99 -1.378 7.934 -10.740 1.00 40.10 N ATOM 1535 CA GLU A 99 -0.348 6.921 -10.880 1.00 34.03 C ATOM 1536 C GLU A 99 -0.326 6.007 -9.671 1.00 12.03 C ATOM 1537 O GLU A 99 -0.853 6.354 -8.607 1.00 10.54 O ATOM 1538 CB GLU A 99 1.021 7.568 -11.058 1.00 54.20 C ATOM 1539 CG GLU A 99 1.071 8.610 -12.155 1.00 24.12 C ATOM 1540 CD GLU A 99 2.478 9.029 -12.481 1.00 20.15 C ATOM 1541 OE1 GLU A 99 3.128 9.649 -11.624 1.00 61.22 O ATOM 1542 OE2 GLU A 99 2.933 8.746 -13.604 1.00 70.11 O ATOM 0 H GLU A 99 -1.164 8.668 -10.064 1.00 40.10 H new ATOM 0 HA GLU A 99 -0.579 6.329 -11.766 1.00 34.03 H new ATOM 0 HB2 GLU A 99 1.318 8.031 -10.117 1.00 54.20 H new ATOM 0 HB3 GLU A 99 1.753 6.791 -11.276 1.00 54.20 H new ATOM 0 HG2 GLU A 99 0.596 8.213 -13.052 1.00 24.12 H new ATOM 0 HG3 GLU A 99 0.496 9.484 -11.849 1.00 24.12 H new ATOM 1549 N MET A 100 0.280 4.848 -9.829 1.00 34.22 N ATOM 1550 CA MET A 100 0.388 3.894 -8.744 1.00 54.50 C ATOM 1551 C MET A 100 1.842 3.525 -8.512 1.00 1.43 C ATOM 1552 O MET A 100 2.593 3.294 -9.462 1.00 20.14 O ATOM 1553 CB MET A 100 -0.433 2.639 -9.049 1.00 4.21 C ATOM 1554 CG MET A 100 -0.488 1.642 -7.899 1.00 54.04 C ATOM 1555 SD MET A 100 -1.549 0.226 -8.252 1.00 40.00 S ATOM 1556 CE MET A 100 -0.690 -0.500 -9.642 1.00 3.14 C ATOM 0 H MET A 100 0.707 4.543 -10.703 1.00 34.22 H new ATOM 0 HA MET A 100 -0.007 4.355 -7.839 1.00 54.50 H new ATOM 0 HB2 MET A 100 -1.449 2.936 -9.308 1.00 4.21 H new ATOM 0 HB3 MET A 100 -0.012 2.145 -9.925 1.00 4.21 H new ATOM 0 HG2 MET A 100 0.520 1.290 -7.681 1.00 54.04 H new ATOM 0 HG3 MET A 100 -0.850 2.147 -7.003 1.00 54.04 H new ATOM 0 HE1 MET A 100 -1.152 -1.454 -9.898 1.00 3.14 H new ATOM 0 HE2 MET A 100 -0.749 0.173 -10.498 1.00 3.14 H new ATOM 0 HE3 MET A 100 0.355 -0.662 -9.379 1.00 3.14 H new ATOM 1566 N SER A 101 2.238 3.489 -7.261 1.00 1.33 N ATOM 1567 CA SER A 101 3.589 3.137 -6.896 1.00 74.33 C ATOM 1568 C SER A 101 3.687 1.634 -6.691 1.00 52.21 C ATOM 1569 O SER A 101 2.701 0.984 -6.326 1.00 54.24 O ATOM 1570 CB SER A 101 4.007 3.882 -5.618 1.00 70.20 C ATOM 1571 OG SER A 101 5.383 3.676 -5.322 1.00 51.43 O ATOM 0 H SER A 101 1.633 3.703 -6.469 1.00 1.33 H new ATOM 0 HA SER A 101 4.265 3.430 -7.700 1.00 74.33 H new ATOM 0 HB2 SER A 101 3.815 4.948 -5.738 1.00 70.20 H new ATOM 0 HB3 SER A 101 3.398 3.541 -4.781 1.00 70.20 H new ATOM 0 HG SER A 101 5.548 3.878 -4.377 1.00 51.43 H new ATOM 1577 N GLY A 102 4.864 1.090 -6.931 1.00 34.43 N ATOM 1578 CA GLY A 102 5.070 -0.328 -6.784 1.00 3.11 C ATOM 1579 C GLY A 102 5.315 -0.740 -5.342 1.00 25.53 C ATOM 1580 O GLY A 102 4.745 -0.151 -4.419 1.00 1.25 O ATOM 0 H GLY A 102 5.688 1.612 -7.228 1.00 34.43 H new ATOM 0 HA2 GLY A 102 4.198 -0.859 -7.166 1.00 3.11 H new ATOM 0 HA3 GLY A 102 5.921 -0.632 -7.394 1.00 3.11 H new ATOM 1584 N PRO A 103 6.170 -1.746 -5.120 1.00 71.52 N ATOM 1585 CA PRO A 103 6.451 -2.261 -3.783 1.00 12.11 C ATOM 1586 C PRO A 103 7.226 -1.274 -2.908 1.00 34.42 C ATOM 1587 O PRO A 103 8.433 -1.083 -3.079 1.00 13.35 O ATOM 1588 CB PRO A 103 7.291 -3.519 -4.050 1.00 41.11 C ATOM 1589 CG PRO A 103 7.918 -3.282 -5.378 1.00 54.44 C ATOM 1590 CD PRO A 103 6.937 -2.457 -6.163 1.00 73.30 C ATOM 0 HA PRO A 103 5.531 -2.452 -3.230 1.00 12.11 H new ATOM 0 HB2 PRO A 103 8.045 -3.663 -3.276 1.00 41.11 H new ATOM 0 HB3 PRO A 103 6.670 -4.415 -4.060 1.00 41.11 H new ATOM 0 HG2 PRO A 103 8.869 -2.760 -5.272 1.00 54.44 H new ATOM 0 HG3 PRO A 103 8.127 -4.225 -5.884 1.00 54.44 H new ATOM 0 HD2 PRO A 103 7.443 -1.762 -6.833 1.00 73.30 H new ATOM 0 HD3 PRO A 103 6.291 -3.081 -6.780 1.00 73.30 H new ATOM 1598 N VAL A 104 6.521 -0.635 -1.988 1.00 21.55 N ATOM 1599 CA VAL A 104 7.143 0.283 -1.047 1.00 62.50 C ATOM 1600 C VAL A 104 7.512 -0.465 0.234 1.00 70.20 C ATOM 1601 O VAL A 104 6.632 -0.873 1.003 1.00 71.25 O ATOM 1602 CB VAL A 104 6.205 1.465 -0.701 1.00 71.45 C ATOM 1603 CG1 VAL A 104 6.895 2.450 0.236 1.00 61.05 C ATOM 1604 CG2 VAL A 104 5.740 2.170 -1.970 1.00 11.32 C ATOM 0 H VAL A 104 5.513 -0.736 -1.873 1.00 21.55 H new ATOM 0 HA VAL A 104 8.040 0.687 -1.516 1.00 62.50 H new ATOM 0 HB VAL A 104 5.330 1.064 -0.189 1.00 71.45 H new ATOM 0 HG11 VAL A 104 6.216 3.271 0.464 1.00 61.05 H new ATOM 0 HG12 VAL A 104 7.172 1.941 1.159 1.00 61.05 H new ATOM 0 HG13 VAL A 104 7.791 2.843 -0.245 1.00 61.05 H new ATOM 0 HG21 VAL A 104 5.082 2.998 -1.706 1.00 11.32 H new ATOM 0 HG22 VAL A 104 6.605 2.553 -2.511 1.00 11.32 H new ATOM 0 HG23 VAL A 104 5.200 1.464 -2.601 1.00 11.32 H new ATOM 1614 N PHE A 105 8.805 -0.656 0.450 1.00 74.14 N ATOM 1615 CA PHE A 105 9.294 -1.386 1.616 1.00 22.41 C ATOM 1616 C PHE A 105 9.357 -0.491 2.848 1.00 60.12 C ATOM 1617 O PHE A 105 9.946 0.592 2.815 1.00 55.03 O ATOM 1618 CB PHE A 105 10.669 -2.001 1.333 1.00 34.44 C ATOM 1619 CG PHE A 105 10.643 -3.109 0.313 1.00 11.41 C ATOM 1620 CD1 PHE A 105 10.692 -2.828 -1.044 1.00 72.35 C ATOM 1621 CD2 PHE A 105 10.572 -4.433 0.716 1.00 75.23 C ATOM 1622 CE1 PHE A 105 10.670 -3.844 -1.978 1.00 23.02 C ATOM 1623 CE2 PHE A 105 10.550 -5.455 -0.215 1.00 31.13 C ATOM 1624 CZ PHE A 105 10.598 -5.160 -1.563 1.00 24.15 C ATOM 0 H PHE A 105 9.540 -0.314 -0.169 1.00 74.14 H new ATOM 0 HA PHE A 105 8.587 -2.190 1.821 1.00 22.41 H new ATOM 0 HB2 PHE A 105 11.343 -1.217 0.987 1.00 34.44 H new ATOM 0 HB3 PHE A 105 11.082 -2.388 2.265 1.00 34.44 H new ATOM 0 HD1 PHE A 105 10.748 -1.801 -1.374 1.00 72.35 H new ATOM 0 HD2 PHE A 105 10.533 -4.669 1.769 1.00 75.23 H new ATOM 0 HE1 PHE A 105 10.709 -3.611 -3.032 1.00 23.02 H new ATOM 0 HE2 PHE A 105 10.495 -6.483 0.112 1.00 31.13 H new ATOM 0 HZ PHE A 105 10.579 -5.957 -2.292 1.00 24.15 H new ATOM 1634 N THR A 106 8.750 -0.955 3.929 1.00 61.54 N ATOM 1635 CA THR A 106 8.707 -0.217 5.185 1.00 33.34 C ATOM 1636 C THR A 106 8.945 -1.164 6.361 1.00 53.52 C ATOM 1637 O THR A 106 9.367 -2.305 6.167 1.00 52.02 O ATOM 1638 CB THR A 106 7.336 0.456 5.372 1.00 34.12 C ATOM 1639 OG1 THR A 106 6.310 -0.529 5.228 1.00 42.41 O ATOM 1640 CG2 THR A 106 7.122 1.573 4.358 1.00 33.04 C ATOM 0 H THR A 106 8.272 -1.855 3.962 1.00 61.54 H new ATOM 0 HA THR A 106 9.487 0.544 5.153 1.00 33.34 H new ATOM 0 HB THR A 106 7.299 0.897 6.368 1.00 34.12 H new ATOM 0 HG1 THR A 106 6.682 -1.329 4.803 1.00 42.41 H new ATOM 0 HG21 THR A 106 6.144 2.027 4.518 1.00 33.04 H new ATOM 0 HG22 THR A 106 7.898 2.329 4.480 1.00 33.04 H new ATOM 0 HG23 THR A 106 7.171 1.163 3.349 1.00 33.04 H new ATOM 1648 N ASP A 107 8.656 -0.696 7.571 1.00 53.25 N ATOM 1649 CA ASP A 107 8.835 -1.507 8.779 1.00 33.02 C ATOM 1650 C ASP A 107 7.811 -2.631 8.848 1.00 72.10 C ATOM 1651 O ASP A 107 8.156 -3.782 9.113 1.00 13.22 O ATOM 1652 CB ASP A 107 8.717 -0.648 10.041 1.00 13.43 C ATOM 1653 CG ASP A 107 9.822 0.367 10.176 1.00 51.43 C ATOM 1654 OD1 ASP A 107 10.980 -0.036 10.403 1.00 34.10 O ATOM 1655 OD2 ASP A 107 9.537 1.583 10.065 1.00 30.20 O ATOM 0 H ASP A 107 8.296 0.242 7.745 1.00 53.25 H new ATOM 0 HA ASP A 107 9.835 -1.938 8.727 1.00 33.02 H new ATOM 0 HB2 ASP A 107 7.757 -0.131 10.032 1.00 13.43 H new ATOM 0 HB3 ASP A 107 8.721 -1.298 10.916 1.00 13.43 H new ATOM 1660 N SER A 108 6.556 -2.293 8.610 1.00 22.51 N ATOM 1661 CA SER A 108 5.469 -3.260 8.690 1.00 15.11 C ATOM 1662 C SER A 108 5.546 -4.281 7.553 1.00 15.43 C ATOM 1663 O SER A 108 5.269 -5.471 7.747 1.00 31.33 O ATOM 1664 CB SER A 108 4.132 -2.528 8.639 1.00 5.32 C ATOM 1665 OG SER A 108 4.165 -1.368 9.456 1.00 13.34 O ATOM 0 H SER A 108 6.260 -1.350 8.358 1.00 22.51 H new ATOM 0 HA SER A 108 5.560 -3.800 9.632 1.00 15.11 H new ATOM 0 HB2 SER A 108 3.904 -2.248 7.611 1.00 5.32 H new ATOM 0 HB3 SER A 108 3.335 -3.192 8.973 1.00 5.32 H new ATOM 0 HG SER A 108 3.300 -0.910 9.410 1.00 13.34 H new ATOM 1671 N GLY A 109 5.931 -3.817 6.379 1.00 70.04 N ATOM 1672 CA GLY A 109 6.012 -4.687 5.233 1.00 0.14 C ATOM 1673 C GLY A 109 6.038 -3.910 3.946 1.00 24.34 C ATOM 1674 O GLY A 109 6.685 -2.862 3.861 1.00 35.23 O ATOM 0 H GLY A 109 6.190 -2.847 6.200 1.00 70.04 H new ATOM 0 HA2 GLY A 109 6.909 -5.302 5.305 1.00 0.14 H new ATOM 0 HA3 GLY A 109 5.160 -5.366 5.231 1.00 0.14 H new ATOM 1678 N ILE A 110 5.323 -4.395 2.952 1.00 71.34 N ATOM 1679 CA ILE A 110 5.289 -3.745 1.656 1.00 24.22 C ATOM 1680 C ILE A 110 3.931 -3.084 1.436 1.00 10.31 C ATOM 1681 O ILE A 110 2.889 -3.670 1.742 1.00 44.54 O ATOM 1682 CB ILE A 110 5.561 -4.752 0.516 1.00 14.23 C ATOM 1683 CG1 ILE A 110 6.793 -5.608 0.837 1.00 4.23 C ATOM 1684 CG2 ILE A 110 5.766 -4.008 -0.797 1.00 64.53 C ATOM 1685 CD1 ILE A 110 7.057 -6.706 -0.177 1.00 70.21 C ATOM 0 H ILE A 110 4.755 -5.240 3.016 1.00 71.34 H new ATOM 0 HA ILE A 110 6.073 -2.988 1.643 1.00 24.22 H new ATOM 0 HB ILE A 110 4.698 -5.411 0.420 1.00 14.23 H new ATOM 0 HG12 ILE A 110 7.668 -4.961 0.894 1.00 4.23 H new ATOM 0 HG13 ILE A 110 6.664 -6.058 1.821 1.00 4.23 H new ATOM 0 HG21 ILE A 110 5.957 -4.725 -1.595 1.00 64.53 H new ATOM 0 HG22 ILE A 110 4.871 -3.433 -1.033 1.00 64.53 H new ATOM 0 HG23 ILE A 110 6.617 -3.333 -0.704 1.00 64.53 H new ATOM 0 HD11 ILE A 110 7.943 -7.268 0.118 1.00 70.21 H new ATOM 0 HD12 ILE A 110 6.199 -7.377 -0.218 1.00 70.21 H new ATOM 0 HD13 ILE A 110 7.219 -6.263 -1.160 1.00 70.21 H new ATOM 1697 N HIS A 111 3.943 -1.861 0.927 1.00 42.01 N ATOM 1698 CA HIS A 111 2.705 -1.130 0.679 1.00 45.25 C ATOM 1699 C HIS A 111 2.576 -0.773 -0.788 1.00 74.23 C ATOM 1700 O HIS A 111 3.576 -0.629 -1.490 1.00 13.24 O ATOM 1701 CB HIS A 111 2.647 0.174 1.490 1.00 30.20 C ATOM 1702 CG HIS A 111 2.778 0.023 2.972 1.00 32.24 C ATOM 1703 ND1 HIS A 111 1.727 0.180 3.846 1.00 72.01 N ATOM 1704 CD2 HIS A 111 3.857 -0.217 3.734 1.00 31.34 C ATOM 1705 CE1 HIS A 111 2.162 0.049 5.085 1.00 65.12 C ATOM 1706 NE2 HIS A 111 3.452 -0.194 5.043 1.00 60.23 N ATOM 0 H HIS A 111 4.792 -1.354 0.678 1.00 42.01 H new ATOM 0 HA HIS A 111 1.889 -1.786 0.983 1.00 45.25 H new ATOM 0 HB2 HIS A 111 3.440 0.834 1.139 1.00 30.20 H new ATOM 0 HB3 HIS A 111 1.701 0.671 1.276 1.00 30.20 H new ATOM 0 HD2 HIS A 111 4.861 -0.396 3.380 1.00 31.34 H new ATOM 0 HE1 HIS A 111 1.561 0.128 5.979 1.00 65.12 H new ATOM 0 HE2 HIS A 111 4.054 -0.342 5.853 1.00 60.23 H new ATOM 1715 N ILE A 112 1.344 -0.640 -1.236 1.00 11.11 N ATOM 1716 CA ILE A 112 1.050 -0.176 -2.582 1.00 52.11 C ATOM 1717 C ILE A 112 0.323 1.155 -2.472 1.00 63.23 C ATOM 1718 O ILE A 112 -0.655 1.265 -1.729 1.00 2.11 O ATOM 1719 CB ILE A 112 0.164 -1.177 -3.362 1.00 72.01 C ATOM 1720 CG1 ILE A 112 0.821 -2.556 -3.405 1.00 11.31 C ATOM 1721 CG2 ILE A 112 -0.096 -0.667 -4.777 1.00 24.31 C ATOM 1722 CD1 ILE A 112 -0.016 -3.610 -4.098 1.00 32.24 C ATOM 0 H ILE A 112 0.516 -0.850 -0.679 1.00 11.11 H new ATOM 0 HA ILE A 112 1.988 -0.076 -3.128 1.00 52.11 H new ATOM 0 HB ILE A 112 -0.791 -1.267 -2.844 1.00 72.01 H new ATOM 0 HG12 ILE A 112 1.781 -2.475 -3.914 1.00 11.31 H new ATOM 0 HG13 ILE A 112 1.028 -2.882 -2.386 1.00 11.31 H new ATOM 0 HG21 ILE A 112 -0.720 -1.382 -5.313 1.00 24.31 H new ATOM 0 HG22 ILE A 112 -0.606 0.295 -4.729 1.00 24.31 H new ATOM 0 HG23 ILE A 112 0.852 -0.549 -5.301 1.00 24.31 H new ATOM 0 HD11 ILE A 112 0.516 -4.561 -4.089 1.00 32.24 H new ATOM 0 HD12 ILE A 112 -0.967 -3.721 -3.576 1.00 32.24 H new ATOM 0 HD13 ILE A 112 -0.201 -3.308 -5.129 1.00 32.24 H new ATOM 1734 N ILE A 113 0.802 2.161 -3.178 1.00 43.22 N ATOM 1735 CA ILE A 113 0.215 3.493 -3.096 1.00 60.13 C ATOM 1736 C ILE A 113 -0.378 3.914 -4.433 1.00 34.03 C ATOM 1737 O ILE A 113 0.318 3.939 -5.444 1.00 65.21 O ATOM 1738 CB ILE A 113 1.268 4.543 -2.662 1.00 14.43 C ATOM 1739 CG1 ILE A 113 1.958 4.108 -1.366 1.00 51.33 C ATOM 1740 CG2 ILE A 113 0.617 5.911 -2.486 1.00 72.01 C ATOM 1741 CD1 ILE A 113 3.075 5.032 -0.930 1.00 63.45 C ATOM 0 H ILE A 113 1.595 2.086 -3.815 1.00 43.22 H new ATOM 0 HA ILE A 113 -0.577 3.446 -2.348 1.00 60.13 H new ATOM 0 HB ILE A 113 2.022 4.618 -3.445 1.00 14.43 H new ATOM 0 HG12 ILE A 113 1.215 4.051 -0.571 1.00 51.33 H new ATOM 0 HG13 ILE A 113 2.360 3.104 -1.499 1.00 51.33 H new ATOM 0 HG21 ILE A 113 1.371 6.636 -2.181 1.00 72.01 H new ATOM 0 HG22 ILE A 113 0.171 6.226 -3.430 1.00 72.01 H new ATOM 0 HG23 ILE A 113 -0.157 5.850 -1.721 1.00 72.01 H new ATOM 0 HD11 ILE A 113 3.516 4.659 -0.005 1.00 63.45 H new ATOM 0 HD12 ILE A 113 3.839 5.071 -1.706 1.00 63.45 H new ATOM 0 HD13 ILE A 113 2.676 6.033 -0.764 1.00 63.45 H new ATOM 1753 N LEU A 114 -1.655 4.241 -4.436 1.00 61.41 N ATOM 1754 CA LEU A 114 -2.324 4.680 -5.648 1.00 2.40 C ATOM 1755 C LEU A 114 -2.892 6.076 -5.482 1.00 22.20 C ATOM 1756 O LEU A 114 -3.712 6.318 -4.594 1.00 3.13 O ATOM 1757 CB LEU A 114 -3.459 3.721 -6.033 1.00 32.34 C ATOM 1758 CG LEU A 114 -4.362 4.201 -7.186 1.00 31.43 C ATOM 1759 CD1 LEU A 114 -3.615 4.190 -8.507 1.00 21.31 C ATOM 1760 CD2 LEU A 114 -5.620 3.362 -7.276 1.00 61.41 C ATOM 0 H LEU A 114 -2.253 4.211 -3.610 1.00 61.41 H new ATOM 0 HA LEU A 114 -1.576 4.687 -6.441 1.00 2.40 H new ATOM 0 HB2 LEU A 114 -3.023 2.761 -6.310 1.00 32.34 H new ATOM 0 HB3 LEU A 114 -4.080 3.548 -5.154 1.00 32.34 H new ATOM 0 HG LEU A 114 -4.654 5.229 -6.972 1.00 31.43 H new ATOM 0 HD11 LEU A 114 -4.277 4.533 -9.302 1.00 21.31 H new ATOM 0 HD12 LEU A 114 -2.752 4.852 -8.442 1.00 21.31 H new ATOM 0 HD13 LEU A 114 -3.279 3.177 -8.727 1.00 21.31 H new ATOM 0 HD21 LEU A 114 -6.239 3.722 -8.098 1.00 61.41 H new ATOM 0 HD22 LEU A 114 -5.351 2.321 -7.453 1.00 61.41 H new ATOM 0 HD23 LEU A 114 -6.176 3.439 -6.342 1.00 61.41 H new ATOM 1772 N ARG A 115 -2.453 6.990 -6.325 1.00 50.21 N ATOM 1773 CA ARG A 115 -3.001 8.327 -6.330 1.00 4.34 C ATOM 1774 C ARG A 115 -4.185 8.359 -7.271 1.00 12.34 C ATOM 1775 O ARG A 115 -4.045 8.079 -8.458 1.00 62.25 O ATOM 1776 CB ARG A 115 -1.959 9.361 -6.768 1.00 70.14 C ATOM 1777 CG ARG A 115 -2.540 10.754 -6.954 1.00 70.21 C ATOM 1778 CD ARG A 115 -1.494 11.763 -7.395 1.00 71.53 C ATOM 1779 NE ARG A 115 -2.119 13.014 -7.826 1.00 13.32 N ATOM 1780 CZ ARG A 115 -1.780 14.230 -7.390 1.00 14.21 C ATOM 1781 NH1 ARG A 115 -0.769 14.384 -6.554 1.00 65.34 N ATOM 1782 NH2 ARG A 115 -2.445 15.296 -7.811 1.00 71.03 N ATOM 0 H ARG A 115 -1.719 6.829 -7.014 1.00 50.21 H new ATOM 0 HA ARG A 115 -3.311 8.584 -5.317 1.00 4.34 H new ATOM 0 HB2 ARG A 115 -1.163 9.403 -6.025 1.00 70.14 H new ATOM 0 HB3 ARG A 115 -1.505 9.036 -7.704 1.00 70.14 H new ATOM 0 HG2 ARG A 115 -3.339 10.716 -7.695 1.00 70.21 H new ATOM 0 HG3 ARG A 115 -2.989 11.086 -6.018 1.00 70.21 H new ATOM 0 HD2 ARG A 115 -0.806 11.961 -6.573 1.00 71.53 H new ATOM 0 HD3 ARG A 115 -0.904 11.347 -8.212 1.00 71.53 H new ATOM 0 HE ARG A 115 -2.871 12.953 -8.512 1.00 13.32 H new ATOM 0 HH11 ARG A 115 -0.241 13.571 -6.237 1.00 65.34 H new ATOM 0 HH12 ARG A 115 -0.516 15.316 -6.226 1.00 65.34 H new ATOM 0 HH21 ARG A 115 -3.217 15.189 -8.469 1.00 71.03 H new ATOM 0 HH22 ARG A 115 -2.185 16.224 -7.477 1.00 71.03 H new ATOM 1796 N THR A 116 -5.341 8.676 -6.749 1.00 75.31 N ATOM 1797 CA THR A 116 -6.544 8.695 -7.551 1.00 31.44 C ATOM 1798 C THR A 116 -6.721 10.046 -8.262 1.00 70.32 C ATOM 1799 O THR A 116 -7.543 10.179 -9.172 1.00 24.33 O ATOM 1800 CB THR A 116 -7.774 8.400 -6.679 1.00 44.43 C ATOM 1801 OG1 THR A 116 -7.413 7.458 -5.655 1.00 54.30 O ATOM 1802 CG2 THR A 116 -8.904 7.813 -7.517 1.00 20.11 C ATOM 0 H THR A 116 -5.479 8.926 -5.770 1.00 75.31 H new ATOM 0 HA THR A 116 -6.448 7.919 -8.310 1.00 31.44 H new ATOM 0 HB THR A 116 -8.116 9.334 -6.233 1.00 44.43 H new ATOM 0 HG1 THR A 116 -8.222 7.147 -5.197 1.00 54.30 H new ATOM 0 HG21 THR A 116 -9.764 7.612 -6.878 1.00 20.11 H new ATOM 0 HG22 THR A 116 -9.187 8.523 -8.294 1.00 20.11 H new ATOM 0 HG23 THR A 116 -8.570 6.884 -7.978 1.00 20.11 H new ATOM 1810 N GLU A 117 -5.942 11.037 -7.845 1.00 21.10 N ATOM 1811 CA GLU A 117 -6.016 12.369 -8.434 1.00 2.43 C ATOM 1812 C GLU A 117 -5.212 12.436 -9.727 1.00 74.24 C ATOM 1813 O GLU A 117 -5.825 12.540 -10.804 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.509 13.426 -7.455 1.00 64.33 C ATOM 1815 CG GLU A 117 -6.215 13.416 -6.117 1.00 2.35 C ATOM 1816 CD GLU A 117 -5.794 14.570 -5.234 1.00 11.04 C ATOM 1817 OE1 GLU A 117 -4.671 14.538 -4.698 1.00 21.33 O ATOM 1818 OE2 GLU A 117 -6.590 15.519 -5.076 1.00 42.34 O ATOM 1819 OXT GLU A 117 -3.965 12.377 -9.655 1.00 0.00 O ATOM 0 H GLU A 117 -5.251 10.943 -7.101 1.00 21.10 H new ATOM 0 HA GLU A 117 -7.063 12.573 -8.660 1.00 2.43 H new ATOM 0 HB2 GLU A 117 -4.442 13.273 -7.292 1.00 64.33 H new ATOM 0 HB3 GLU A 117 -5.625 14.411 -7.908 1.00 64.33 H new ATOM 0 HG2 GLU A 117 -7.292 13.459 -6.277 1.00 2.35 H new ATOM 0 HG3 GLU A 117 -6.006 12.476 -5.606 1.00 2.35 H new TER 1826 GLU A 117