USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 905 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 12 SER OG : rot 70:sc= 0.563 USER MOD Set 1.2: A 116 THR OG1 : rot 151:sc= 0.548 USER MOD Set 2.1: A 106 THR OG1 : rot 152:sc= 0.243 USER MOD Set 2.2: A 111 HIS :FLIP no HD1:sc= -3.15! C(o=-3.4!,f=-2.9!) USER MOD Set 3.1: A 83 GLN : amide:sc= -0.522 K(o=-0.52,f=-1.2!) USER MOD Set 3.2: A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 20 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 13 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= 2.24 (180deg=0.999) USER MOD Single : A 18 HIS : +bothHN:sc= -1.2 K(o=-1.2,f=-7.4!) USER MOD Single : A 21 SER OG : rot -114:sc= 1.79 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.859 USER MOD Single : A 29 GLN : amide:sc= -0.0957 K(o=-0.096,f=-0.64) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0538 K(o=-0.054,f=-2.2!) USER MOD Single : A 46 TYR OH : rot -61:sc= 0.654 USER MOD Single : A 48 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 1.15 (180deg=0.156) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 73:sc= 1.2 USER MOD Single : A 59 SER OG : rot -151:sc= 1.06 USER MOD Single : A 62 SER OG : rot 24:sc= 1.12 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0263 F(o=-1.4!,f=-0.026) USER MOD Single : A 65 SER OG : rot 141:sc= -3.56! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -30:sc= 0.174 USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= -0.575 (180deg=-2.46!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0702 USER MOD Single : A 85 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.49) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.12) USER MOD Single : A 92 SER OG : rot 76:sc= 1.1 USER MOD Single : A 97 THR OG1 : rot 2:sc= 0.408 USER MOD Single : A 100 MET CE :methyl 171:sc= -0.886 (180deg=-1.59) USER MOD Single : A 101 SER OG : rot 77:sc= -0.548 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.685 -22.753 7.680 1.00 53.40 N ATOM 2 CA GLY A 1 7.594 -22.448 8.803 1.00 5.54 C ATOM 3 C GLY A 1 6.992 -21.449 9.764 1.00 75.23 C ATOM 4 O GLY A 1 6.725 -20.302 9.392 1.00 73.12 O ATOM 0 H1 GLY A 1 7.137 -23.442 7.045 1.00 53.40 H new ATOM 0 H2 GLY A 1 5.798 -23.152 8.049 1.00 53.40 H new ATOM 0 H3 GLY A 1 6.479 -21.880 7.153 1.00 53.40 H new ATOM 0 HA2 GLY A 1 7.831 -23.368 9.338 1.00 5.54 H new ATOM 0 HA3 GLY A 1 8.533 -22.055 8.413 1.00 5.54 H new ATOM 10 N SER A 2 6.775 -21.877 10.995 1.00 24.53 N ATOM 11 CA SER A 2 6.187 -21.027 12.011 1.00 24.11 C ATOM 12 C SER A 2 7.197 -20.005 12.516 1.00 5.10 C ATOM 13 O SER A 2 8.297 -20.368 12.933 1.00 30.23 O ATOM 14 CB SER A 2 5.672 -21.879 13.166 1.00 33.32 C ATOM 15 OG SER A 2 4.713 -22.822 12.712 1.00 11.13 O ATOM 0 H SER A 2 7.001 -22.819 11.316 1.00 24.53 H new ATOM 0 HA SER A 2 5.352 -20.485 11.568 1.00 24.11 H new ATOM 0 HB2 SER A 2 6.505 -22.400 13.638 1.00 33.32 H new ATOM 0 HB3 SER A 2 5.226 -21.237 13.926 1.00 33.32 H new ATOM 0 HG SER A 2 4.398 -23.358 13.469 1.00 11.13 H new ATOM 21 N HIS A 3 6.820 -18.721 12.455 1.00 23.54 N ATOM 22 CA HIS A 3 7.683 -17.611 12.904 1.00 55.40 C ATOM 23 C HIS A 3 8.954 -17.517 12.062 1.00 14.21 C ATOM 24 O HIS A 3 9.919 -16.871 12.459 1.00 64.44 O ATOM 25 CB HIS A 3 8.061 -17.759 14.392 1.00 52.14 C ATOM 26 CG HIS A 3 6.929 -17.541 15.350 1.00 63.12 C ATOM 27 ND1 HIS A 3 6.835 -16.436 16.161 1.00 62.30 N ATOM 28 CD2 HIS A 3 5.853 -18.308 15.643 1.00 31.34 C ATOM 29 CE1 HIS A 3 5.756 -16.531 16.910 1.00 53.53 C ATOM 30 NE2 HIS A 3 5.140 -17.657 16.616 1.00 1.14 N ATOM 0 H HIS A 3 5.914 -18.419 12.096 1.00 23.54 H new ATOM 0 HA HIS A 3 7.109 -16.694 12.776 1.00 55.40 H new ATOM 0 HB2 HIS A 3 8.467 -18.758 14.552 1.00 52.14 H new ATOM 0 HB3 HIS A 3 8.856 -17.050 14.623 1.00 52.14 H new ATOM 0 HD2 HIS A 3 5.602 -19.257 15.193 1.00 31.34 H new ATOM 0 HE1 HIS A 3 5.431 -15.807 17.642 1.00 53.53 H new ATOM 0 HE2 HIS A 3 4.275 -17.990 17.042 1.00 1.14 H new ATOM 39 N MET A 4 8.943 -18.146 10.900 1.00 43.13 N ATOM 40 CA MET A 4 10.112 -18.159 10.036 1.00 60.43 C ATOM 41 C MET A 4 9.832 -17.435 8.731 1.00 64.13 C ATOM 42 O MET A 4 8.670 -17.184 8.382 1.00 64.41 O ATOM 43 CB MET A 4 10.554 -19.595 9.754 1.00 21.21 C ATOM 44 CG MET A 4 10.995 -20.368 10.989 1.00 23.21 C ATOM 45 SD MET A 4 12.435 -19.638 11.795 1.00 61.33 S ATOM 46 CE MET A 4 12.726 -20.830 13.100 1.00 2.40 C ATOM 0 H MET A 4 8.139 -18.654 10.532 1.00 43.13 H new ATOM 0 HA MET A 4 10.917 -17.637 10.553 1.00 60.43 H new ATOM 0 HB2 MET A 4 9.731 -20.130 9.280 1.00 21.21 H new ATOM 0 HB3 MET A 4 11.376 -19.576 9.039 1.00 21.21 H new ATOM 0 HG2 MET A 4 10.169 -20.410 11.699 1.00 23.21 H new ATOM 0 HG3 MET A 4 11.225 -21.395 10.706 1.00 23.21 H new ATOM 0 HE1 MET A 4 13.588 -20.520 13.691 1.00 2.40 H new ATOM 0 HE2 MET A 4 11.848 -20.888 13.743 1.00 2.40 H new ATOM 0 HE3 MET A 4 12.920 -21.809 12.662 1.00 2.40 H new ATOM 56 N GLU A 5 10.893 -17.104 8.012 1.00 62.45 N ATOM 57 CA GLU A 5 10.783 -16.401 6.744 1.00 33.24 C ATOM 58 C GLU A 5 10.311 -17.346 5.636 1.00 32.41 C ATOM 59 O GLU A 5 10.883 -18.422 5.446 1.00 54.15 O ATOM 60 CB GLU A 5 12.135 -15.795 6.358 1.00 30.12 C ATOM 61 CG GLU A 5 12.115 -15.035 5.040 1.00 74.52 C ATOM 62 CD GLU A 5 13.488 -14.586 4.607 1.00 73.51 C ATOM 63 OE1 GLU A 5 14.001 -13.599 5.170 1.00 14.50 O ATOM 64 OE2 GLU A 5 14.068 -15.226 3.696 1.00 55.12 O ATOM 0 H GLU A 5 11.852 -17.314 8.290 1.00 62.45 H new ATOM 0 HA GLU A 5 10.048 -15.604 6.861 1.00 33.24 H new ATOM 0 HB2 GLU A 5 12.460 -15.121 7.150 1.00 30.12 H new ATOM 0 HB3 GLU A 5 12.875 -16.593 6.295 1.00 30.12 H new ATOM 0 HG2 GLU A 5 11.684 -15.670 4.266 1.00 74.52 H new ATOM 0 HG3 GLU A 5 11.466 -14.165 5.137 1.00 74.52 H new ATOM 71 N PRO A 6 9.255 -16.968 4.900 1.00 31.43 N ATOM 72 CA PRO A 6 8.752 -17.759 3.794 1.00 11.41 C ATOM 73 C PRO A 6 9.503 -17.445 2.499 1.00 72.15 C ATOM 74 O PRO A 6 10.199 -16.430 2.407 1.00 21.15 O ATOM 75 CB PRO A 6 7.281 -17.320 3.672 1.00 15.23 C ATOM 76 CG PRO A 6 7.109 -16.147 4.598 1.00 22.44 C ATOM 77 CD PRO A 6 8.473 -15.750 5.084 1.00 41.00 C ATOM 0 HA PRO A 6 8.873 -18.829 3.962 1.00 11.41 H new ATOM 0 HB2 PRO A 6 7.043 -17.042 2.645 1.00 15.23 H new ATOM 0 HB3 PRO A 6 6.609 -18.133 3.947 1.00 15.23 H new ATOM 0 HG2 PRO A 6 6.630 -15.316 4.079 1.00 22.44 H new ATOM 0 HG3 PRO A 6 6.466 -16.412 5.437 1.00 22.44 H new ATOM 0 HD2 PRO A 6 8.880 -14.918 4.509 1.00 41.00 H new ATOM 0 HD3 PRO A 6 8.454 -15.437 6.128 1.00 41.00 H new ATOM 85 N ALA A 7 9.373 -18.317 1.511 1.00 13.34 N ATOM 86 CA ALA A 7 10.014 -18.106 0.222 1.00 32.34 C ATOM 87 C ALA A 7 9.379 -16.922 -0.487 1.00 52.32 C ATOM 88 O ALA A 7 10.065 -16.095 -1.095 1.00 34.24 O ATOM 89 CB ALA A 7 9.906 -19.359 -0.637 1.00 13.33 C ATOM 0 H ALA A 7 8.829 -19.178 1.577 1.00 13.34 H new ATOM 0 HA ALA A 7 11.070 -17.892 0.387 1.00 32.34 H new ATOM 0 HB1 ALA A 7 10.390 -19.184 -1.598 1.00 13.33 H new ATOM 0 HB2 ALA A 7 10.395 -20.191 -0.130 1.00 13.33 H new ATOM 0 HB3 ALA A 7 8.855 -19.600 -0.799 1.00 13.33 H new ATOM 95 N ARG A 8 8.062 -16.847 -0.397 1.00 30.41 N ATOM 96 CA ARG A 8 7.302 -15.764 -0.989 1.00 11.14 C ATOM 97 C ARG A 8 6.220 -15.317 -0.026 1.00 65.00 C ATOM 98 O ARG A 8 5.785 -16.089 0.834 1.00 33.33 O ATOM 99 CB ARG A 8 6.658 -16.205 -2.303 1.00 75.41 C ATOM 100 CG ARG A 8 7.641 -16.636 -3.375 1.00 4.52 C ATOM 101 CD ARG A 8 6.911 -17.124 -4.610 1.00 73.45 C ATOM 102 NE ARG A 8 6.020 -18.246 -4.307 1.00 62.31 N ATOM 103 CZ ARG A 8 4.945 -18.568 -5.024 1.00 20.21 C ATOM 104 NH1 ARG A 8 4.588 -17.822 -6.064 1.00 62.11 N ATOM 105 NH2 ARG A 8 4.218 -19.626 -4.688 1.00 72.35 N ATOM 0 H ARG A 8 7.490 -17.537 0.090 1.00 30.41 H new ATOM 0 HA ARG A 8 7.983 -14.938 -1.194 1.00 11.14 H new ATOM 0 HB2 ARG A 8 5.977 -17.032 -2.099 1.00 75.41 H new ATOM 0 HB3 ARG A 8 6.055 -15.384 -2.690 1.00 75.41 H new ATOM 0 HG2 ARG A 8 8.290 -15.800 -3.637 1.00 4.52 H new ATOM 0 HG3 ARG A 8 8.282 -17.428 -2.989 1.00 4.52 H new ATOM 0 HD2 ARG A 8 6.332 -16.305 -5.037 1.00 73.45 H new ATOM 0 HD3 ARG A 8 7.636 -17.429 -5.364 1.00 73.45 H new ATOM 0 HE ARG A 8 6.237 -18.819 -3.492 1.00 62.31 H new ATOM 0 HH11 ARG A 8 5.138 -17.000 -6.315 1.00 62.11 H new ATOM 0 HH12 ARG A 8 3.764 -18.071 -6.611 1.00 62.11 H new ATOM 0 HH21 ARG A 8 4.483 -20.191 -3.881 1.00 72.35 H new ATOM 0 HH22 ARG A 8 3.394 -19.874 -5.236 1.00 72.35 H new ATOM 119 N VAL A 9 5.789 -14.087 -0.162 1.00 11.15 N ATOM 120 CA VAL A 9 4.753 -13.549 0.691 1.00 4.52 C ATOM 121 C VAL A 9 3.599 -13.017 -0.141 1.00 71.24 C ATOM 122 O VAL A 9 3.809 -12.344 -1.149 1.00 71.34 O ATOM 123 CB VAL A 9 5.294 -12.423 1.616 1.00 43.45 C ATOM 124 CG1 VAL A 9 6.318 -12.977 2.587 1.00 33.14 C ATOM 125 CG2 VAL A 9 5.899 -11.284 0.804 1.00 45.53 C ATOM 0 H VAL A 9 6.142 -13.433 -0.861 1.00 11.15 H new ATOM 0 HA VAL A 9 4.399 -14.365 1.321 1.00 4.52 H new ATOM 0 HB VAL A 9 4.452 -12.025 2.182 1.00 43.45 H new ATOM 0 HG11 VAL A 9 6.685 -12.174 3.226 1.00 33.14 H new ATOM 0 HG12 VAL A 9 5.855 -13.748 3.203 1.00 33.14 H new ATOM 0 HG13 VAL A 9 7.151 -13.408 2.031 1.00 33.14 H new ATOM 0 HG21 VAL A 9 6.268 -10.512 1.479 1.00 45.53 H new ATOM 0 HG22 VAL A 9 6.724 -11.665 0.202 1.00 45.53 H new ATOM 0 HG23 VAL A 9 5.138 -10.859 0.149 1.00 45.53 H new ATOM 135 N ARG A 10 2.387 -13.351 0.249 1.00 73.51 N ATOM 136 CA ARG A 10 1.225 -12.845 -0.432 1.00 21.42 C ATOM 137 C ARG A 10 0.608 -11.734 0.381 1.00 34.22 C ATOM 138 O ARG A 10 0.123 -11.959 1.495 1.00 11.20 O ATOM 139 CB ARG A 10 0.196 -13.942 -0.673 1.00 14.43 C ATOM 140 CG ARG A 10 -1.031 -13.437 -1.397 1.00 62.34 C ATOM 141 CD ARG A 10 -2.077 -14.512 -1.583 1.00 44.32 C ATOM 142 NE ARG A 10 -3.239 -13.989 -2.294 1.00 15.44 N ATOM 143 CZ ARG A 10 -4.385 -14.642 -2.465 1.00 52.12 C ATOM 144 NH1 ARG A 10 -4.536 -15.875 -1.990 1.00 21.25 N ATOM 145 NH2 ARG A 10 -5.380 -14.057 -3.113 1.00 30.35 N ATOM 0 H ARG A 10 2.186 -13.971 1.034 1.00 73.51 H new ATOM 0 HA ARG A 10 1.540 -12.464 -1.403 1.00 21.42 H new ATOM 0 HB2 ARG A 10 0.653 -14.743 -1.255 1.00 14.43 H new ATOM 0 HB3 ARG A 10 -0.102 -14.372 0.283 1.00 14.43 H new ATOM 0 HG2 ARG A 10 -1.463 -12.607 -0.838 1.00 62.34 H new ATOM 0 HG3 ARG A 10 -0.739 -13.047 -2.372 1.00 62.34 H new ATOM 0 HD2 ARG A 10 -1.651 -15.347 -2.139 1.00 44.32 H new ATOM 0 HD3 ARG A 10 -2.384 -14.899 -0.611 1.00 44.32 H new ATOM 0 HE ARG A 10 -3.167 -13.052 -2.690 1.00 15.44 H new ATOM 0 HH11 ARG A 10 -3.770 -16.326 -1.490 1.00 21.25 H new ATOM 0 HH12 ARG A 10 -5.418 -16.369 -2.125 1.00 21.25 H new ATOM 0 HH21 ARG A 10 -5.265 -13.111 -3.478 1.00 30.35 H new ATOM 0 HH22 ARG A 10 -6.262 -14.552 -3.248 1.00 30.35 H new ATOM 159 N CYS A 11 0.638 -10.544 -0.153 1.00 41.22 N ATOM 160 CA CYS A 11 0.101 -9.400 0.536 1.00 14.12 C ATOM 161 C CYS A 11 -0.655 -8.503 -0.426 1.00 54.13 C ATOM 162 O CYS A 11 -0.316 -8.421 -1.602 1.00 5.44 O ATOM 163 CB CYS A 11 1.229 -8.620 1.214 1.00 22.42 C ATOM 164 SG CYS A 11 2.185 -9.592 2.404 1.00 0.33 S ATOM 0 H CYS A 11 1.032 -10.339 -1.071 1.00 41.22 H new ATOM 0 HA CYS A 11 -0.596 -9.749 1.298 1.00 14.12 H new ATOM 0 HB2 CYS A 11 1.903 -8.237 0.448 1.00 22.42 H new ATOM 0 HB3 CYS A 11 0.803 -7.756 1.725 1.00 22.42 H new ATOM 0 HG CYS A 11 3.116 -8.848 2.923 1.00 0.33 H new ATOM 170 N SER A 12 -1.681 -7.852 0.072 1.00 51.43 N ATOM 171 CA SER A 12 -2.455 -6.929 -0.728 1.00 72.03 C ATOM 172 C SER A 12 -1.914 -5.518 -0.499 1.00 3.02 C ATOM 173 O SER A 12 -1.305 -5.254 0.544 1.00 14.11 O ATOM 174 CB SER A 12 -3.928 -7.017 -0.337 1.00 41.21 C ATOM 175 OG SER A 12 -4.382 -8.360 -0.389 1.00 11.04 O ATOM 0 H SER A 12 -2.001 -7.946 1.036 1.00 51.43 H new ATOM 0 HA SER A 12 -2.372 -7.180 -1.786 1.00 72.03 H new ATOM 0 HB2 SER A 12 -4.067 -6.620 0.669 1.00 41.21 H new ATOM 0 HB3 SER A 12 -4.525 -6.400 -1.009 1.00 41.21 H new ATOM 0 HG SER A 12 -3.967 -8.874 0.335 1.00 11.04 H new ATOM 181 N HIS A 13 -2.125 -4.607 -1.444 1.00 45.44 N ATOM 182 CA HIS A 13 -1.530 -3.281 -1.312 1.00 1.41 C ATOM 183 C HIS A 13 -2.442 -2.133 -1.747 1.00 74.45 C ATOM 184 O HIS A 13 -3.190 -2.237 -2.716 1.00 13.40 O ATOM 185 CB HIS A 13 -0.174 -3.206 -2.060 1.00 40.32 C ATOM 186 CG HIS A 13 -0.229 -3.402 -3.570 1.00 52.12 C ATOM 187 ND1 HIS A 13 0.880 -3.265 -4.376 1.00 75.34 N ATOM 188 CD2 HIS A 13 -1.253 -3.719 -4.411 1.00 53.31 C ATOM 189 CE1 HIS A 13 0.547 -3.482 -5.632 1.00 34.41 C ATOM 190 NE2 HIS A 13 -0.737 -3.759 -5.686 1.00 34.51 N ATOM 0 H HIS A 13 -2.685 -4.754 -2.284 1.00 45.44 H new ATOM 0 HA HIS A 13 -1.369 -3.144 -0.243 1.00 1.41 H new ATOM 0 HB2 HIS A 13 0.277 -2.235 -1.856 1.00 40.32 H new ATOM 0 HB3 HIS A 13 0.491 -3.960 -1.640 1.00 40.32 H new ATOM 0 HD2 HIS A 13 -2.279 -3.904 -4.129 1.00 53.31 H new ATOM 0 HE1 HIS A 13 1.218 -3.439 -6.477 1.00 34.41 H new ATOM 0 HE2 HIS A 13 -1.264 -3.969 -6.534 1.00 34.51 H new ATOM 199 N LEU A 14 -2.357 -1.042 -1.002 1.00 2.11 N ATOM 200 CA LEU A 14 -3.047 0.199 -1.324 1.00 22.51 C ATOM 201 C LEU A 14 -2.021 1.171 -1.908 1.00 20.21 C ATOM 202 O LEU A 14 -0.821 1.030 -1.642 1.00 55.22 O ATOM 203 CB LEU A 14 -3.677 0.800 -0.050 1.00 34.55 C ATOM 204 CG LEU A 14 -4.387 2.157 -0.210 1.00 12.32 C ATOM 205 CD1 LEU A 14 -5.667 2.016 -1.006 1.00 34.21 C ATOM 206 CD2 LEU A 14 -4.673 2.776 1.145 1.00 21.41 C ATOM 0 H LEU A 14 -1.802 -0.992 -0.148 1.00 2.11 H new ATOM 0 HA LEU A 14 -3.844 0.012 -2.044 1.00 22.51 H new ATOM 0 HB2 LEU A 14 -4.396 0.083 0.346 1.00 34.55 H new ATOM 0 HB3 LEU A 14 -2.893 0.911 0.699 1.00 34.55 H new ATOM 0 HG LEU A 14 -3.718 2.818 -0.760 1.00 12.32 H new ATOM 0 HD11 LEU A 14 -6.145 2.991 -1.102 1.00 34.21 H new ATOM 0 HD12 LEU A 14 -5.438 1.625 -1.997 1.00 34.21 H new ATOM 0 HD13 LEU A 14 -6.341 1.330 -0.493 1.00 34.21 H new ATOM 0 HD21 LEU A 14 -5.175 3.734 1.009 1.00 21.41 H new ATOM 0 HD22 LEU A 14 -5.314 2.109 1.722 1.00 21.41 H new ATOM 0 HD23 LEU A 14 -3.736 2.930 1.680 1.00 21.41 H new ATOM 218 N LEU A 15 -2.465 2.126 -2.708 1.00 1.24 N ATOM 219 CA LEU A 15 -1.548 3.096 -3.300 1.00 44.24 C ATOM 220 C LEU A 15 -2.151 4.490 -3.359 1.00 52.15 C ATOM 221 O LEU A 15 -3.021 4.768 -4.186 1.00 34.53 O ATOM 222 CB LEU A 15 -1.105 2.652 -4.704 1.00 15.11 C ATOM 223 CG LEU A 15 -0.332 3.701 -5.530 1.00 1.05 C ATOM 224 CD1 LEU A 15 0.909 4.184 -4.792 1.00 62.13 C ATOM 225 CD2 LEU A 15 0.046 3.135 -6.885 1.00 32.53 C ATOM 0 H LEU A 15 -3.444 2.253 -2.963 1.00 1.24 H new ATOM 0 HA LEU A 15 -0.673 3.139 -2.651 1.00 44.24 H new ATOM 0 HB2 LEU A 15 -0.480 1.765 -4.603 1.00 15.11 H new ATOM 0 HB3 LEU A 15 -1.990 2.356 -5.266 1.00 15.11 H new ATOM 0 HG LEU A 15 -0.988 4.559 -5.677 1.00 1.05 H new ATOM 0 HD11 LEU A 15 1.431 4.922 -5.401 1.00 62.13 H new ATOM 0 HD12 LEU A 15 0.616 4.637 -3.845 1.00 62.13 H new ATOM 0 HD13 LEU A 15 1.570 3.339 -4.600 1.00 62.13 H new ATOM 0 HD21 LEU A 15 0.591 3.888 -7.455 1.00 32.53 H new ATOM 0 HD22 LEU A 15 0.677 2.256 -6.749 1.00 32.53 H new ATOM 0 HD23 LEU A 15 -0.857 2.853 -7.426 1.00 32.53 H new ATOM 237 N VAL A 16 -1.681 5.358 -2.479 1.00 50.11 N ATOM 238 CA VAL A 16 -2.108 6.745 -2.460 1.00 13.24 C ATOM 239 C VAL A 16 -0.920 7.650 -2.781 1.00 50.32 C ATOM 240 O VAL A 16 -0.027 7.852 -1.948 1.00 22.21 O ATOM 241 CB VAL A 16 -2.718 7.145 -1.093 1.00 20.21 C ATOM 242 CG1 VAL A 16 -3.161 8.604 -1.102 1.00 31.23 C ATOM 243 CG2 VAL A 16 -3.890 6.236 -0.744 1.00 13.25 C ATOM 0 H VAL A 16 -0.996 5.122 -1.761 1.00 50.11 H new ATOM 0 HA VAL A 16 -2.885 6.865 -3.215 1.00 13.24 H new ATOM 0 HB VAL A 16 -1.948 7.027 -0.331 1.00 20.21 H new ATOM 0 HG11 VAL A 16 -3.586 8.861 -0.132 1.00 31.23 H new ATOM 0 HG12 VAL A 16 -2.302 9.244 -1.303 1.00 31.23 H new ATOM 0 HG13 VAL A 16 -3.913 8.751 -1.878 1.00 31.23 H new ATOM 0 HG21 VAL A 16 -4.306 6.532 0.219 1.00 13.25 H new ATOM 0 HG22 VAL A 16 -4.658 6.322 -1.512 1.00 13.25 H new ATOM 0 HG23 VAL A 16 -3.546 5.203 -0.689 1.00 13.25 H new ATOM 253 N LYS A 17 -0.896 8.160 -3.999 1.00 15.33 N ATOM 254 CA LYS A 17 0.190 9.016 -4.458 1.00 11.25 C ATOM 255 C LYS A 17 0.124 10.406 -3.840 1.00 20.42 C ATOM 256 O LYS A 17 -0.911 10.824 -3.305 1.00 74.42 O ATOM 257 CB LYS A 17 0.184 9.121 -5.980 1.00 61.14 C ATOM 258 CG LYS A 17 0.716 7.889 -6.688 1.00 25.32 C ATOM 259 CD LYS A 17 0.513 7.990 -8.188 1.00 71.40 C ATOM 260 CE LYS A 17 1.279 6.907 -8.924 1.00 13.33 C ATOM 261 NZ LYS A 17 0.895 6.835 -10.351 1.00 70.34 N ATOM 0 H LYS A 17 -1.622 7.996 -4.696 1.00 15.33 H new ATOM 0 HA LYS A 17 1.122 8.553 -4.133 1.00 11.25 H new ATOM 0 HB2 LYS A 17 -0.836 9.308 -6.317 1.00 61.14 H new ATOM 0 HB3 LYS A 17 0.781 9.983 -6.276 1.00 61.14 H new ATOM 0 HG2 LYS A 17 1.777 7.770 -6.469 1.00 25.32 H new ATOM 0 HG3 LYS A 17 0.210 7.001 -6.309 1.00 25.32 H new ATOM 0 HD2 LYS A 17 -0.549 7.908 -8.419 1.00 71.40 H new ATOM 0 HD3 LYS A 17 0.840 8.970 -8.536 1.00 71.40 H new ATOM 0 HE2 LYS A 17 2.349 7.101 -8.845 1.00 13.33 H new ATOM 0 HE3 LYS A 17 1.094 5.944 -8.449 1.00 13.33 H new ATOM 0 HZ1 LYS A 17 1.750 6.756 -10.937 1.00 70.34 H new ATOM 0 HZ2 LYS A 17 0.291 6.003 -10.506 1.00 70.34 H new ATOM 0 HZ3 LYS A 17 0.373 7.695 -10.614 1.00 70.34 H new ATOM 275 N HIS A 18 1.235 11.117 -3.928 1.00 74.24 N ATOM 276 CA HIS A 18 1.342 12.460 -3.396 1.00 74.43 C ATOM 277 C HIS A 18 1.969 13.387 -4.426 1.00 2.55 C ATOM 278 O HIS A 18 2.736 12.939 -5.273 1.00 4.11 O ATOM 279 CB HIS A 18 2.132 12.482 -2.061 1.00 44.02 C ATOM 280 CG HIS A 18 3.361 11.600 -2.018 1.00 53.13 C ATOM 281 ND1 HIS A 18 4.638 12.054 -2.276 1.00 21.02 N ATOM 282 CD2 HIS A 18 3.495 10.284 -1.707 1.00 13.42 C ATOM 283 CE1 HIS A 18 5.496 11.060 -2.128 1.00 31.42 C ATOM 284 NE2 HIS A 18 4.831 9.979 -1.782 1.00 5.42 N ATOM 0 H HIS A 18 2.088 10.777 -4.371 1.00 74.24 H new ATOM 0 HA HIS A 18 0.337 12.820 -3.178 1.00 74.43 H new ATOM 0 HB2 HIS A 18 2.435 13.509 -1.855 1.00 44.02 H new ATOM 0 HB3 HIS A 18 1.461 12.180 -1.257 1.00 44.02 H new ATOM 0 HD1 HIS A 18 4.882 13.009 -2.540 1.00 21.02 H new ATOM 0 HD2 HIS A 18 2.697 9.604 -1.448 1.00 13.42 H new ATOM 0 HE1 HIS A 18 6.565 11.124 -2.268 1.00 31.42 H new ATOM 0 HE2 HIS A 18 5.241 9.063 -1.599 1.00 5.42 H new ATOM 293 N SER A 19 1.623 14.672 -4.346 1.00 50.00 N ATOM 294 CA SER A 19 2.092 15.689 -5.286 1.00 32.15 C ATOM 295 C SER A 19 3.604 15.651 -5.435 1.00 64.13 C ATOM 296 O SER A 19 4.123 15.245 -6.475 1.00 41.41 O ATOM 297 CB SER A 19 1.639 17.083 -4.832 1.00 63.24 C ATOM 298 OG SER A 19 1.891 18.057 -5.831 1.00 62.02 O ATOM 0 H SER A 19 1.005 15.038 -3.622 1.00 50.00 H new ATOM 0 HA SER A 19 1.653 15.471 -6.260 1.00 32.15 H new ATOM 0 HB2 SER A 19 0.574 17.064 -4.600 1.00 63.24 H new ATOM 0 HB3 SER A 19 2.160 17.356 -3.915 1.00 63.24 H new ATOM 0 HG SER A 19 1.591 18.935 -5.515 1.00 62.02 H new ATOM 304 N GLN A 20 4.307 16.068 -4.396 1.00 4.41 N ATOM 305 CA GLN A 20 5.751 16.048 -4.412 1.00 2.32 C ATOM 306 C GLN A 20 6.234 14.618 -4.285 1.00 43.04 C ATOM 307 O GLN A 20 6.243 14.053 -3.191 1.00 14.10 O ATOM 308 CB GLN A 20 6.314 16.906 -3.275 1.00 51.21 C ATOM 309 CG GLN A 20 5.874 18.364 -3.323 1.00 22.21 C ATOM 310 CD GLN A 20 6.234 19.040 -4.632 1.00 3.01 C ATOM 311 OE1 GLN A 20 5.450 19.044 -5.583 1.00 52.03 O ATOM 312 NE2 GLN A 20 7.417 19.613 -4.693 1.00 23.40 N ATOM 0 H GLN A 20 3.897 16.424 -3.533 1.00 4.41 H new ATOM 0 HA GLN A 20 6.104 16.465 -5.355 1.00 2.32 H new ATOM 0 HB2 GLN A 20 6.006 16.475 -2.322 1.00 51.21 H new ATOM 0 HB3 GLN A 20 7.403 16.864 -3.307 1.00 51.21 H new ATOM 0 HG2 GLN A 20 4.796 18.419 -3.175 1.00 22.21 H new ATOM 0 HG3 GLN A 20 6.337 18.907 -2.499 1.00 22.21 H new ATOM 0 HE21 GLN A 20 8.038 19.588 -3.884 1.00 23.40 H new ATOM 0 HE22 GLN A 20 7.713 20.082 -5.549 1.00 23.40 H new ATOM 321 N SER A 21 6.576 14.018 -5.408 1.00 35.14 N ATOM 322 CA SER A 21 7.028 12.643 -5.429 1.00 65.34 C ATOM 323 C SER A 21 7.936 12.378 -6.626 1.00 74.31 C ATOM 324 O SER A 21 9.165 12.357 -6.505 1.00 25.55 O ATOM 325 CB SER A 21 5.814 11.701 -5.472 1.00 63.41 C ATOM 326 OG SER A 21 4.935 12.038 -6.546 1.00 55.23 O ATOM 0 H SER A 21 6.549 14.466 -6.324 1.00 35.14 H new ATOM 0 HA SER A 21 7.604 12.457 -4.522 1.00 65.34 H new ATOM 0 HB2 SER A 21 6.153 10.671 -5.586 1.00 63.41 H new ATOM 0 HB3 SER A 21 5.274 11.756 -4.526 1.00 63.41 H new ATOM 0 HG SER A 21 4.080 12.351 -6.183 1.00 55.23 H new ATOM 332 N ARG A 22 7.313 12.210 -7.772 1.00 24.11 N ATOM 333 CA ARG A 22 7.987 11.890 -9.017 1.00 72.23 C ATOM 334 C ARG A 22 7.005 12.037 -10.164 1.00 50.33 C ATOM 335 O ARG A 22 7.365 12.452 -11.263 1.00 1.13 O ATOM 336 CB ARG A 22 8.538 10.454 -8.968 1.00 40.33 C ATOM 337 CG ARG A 22 7.512 9.420 -8.521 1.00 44.11 C ATOM 338 CD ARG A 22 8.132 8.049 -8.350 1.00 54.11 C ATOM 339 NE ARG A 22 8.480 7.427 -9.623 1.00 23.44 N ATOM 340 CZ ARG A 22 9.197 6.309 -9.734 1.00 65.25 C ATOM 341 NH1 ARG A 22 9.718 5.736 -8.651 1.00 53.34 N ATOM 342 NH2 ARG A 22 9.405 5.771 -10.927 1.00 73.10 N ATOM 0 H ARG A 22 6.301 12.293 -7.869 1.00 24.11 H new ATOM 0 HA ARG A 22 8.823 12.573 -9.165 1.00 72.23 H new ATOM 0 HB2 ARG A 22 8.908 10.182 -9.957 1.00 40.33 H new ATOM 0 HB3 ARG A 22 9.390 10.424 -8.289 1.00 40.33 H new ATOM 0 HG2 ARG A 22 7.064 9.736 -7.579 1.00 44.11 H new ATOM 0 HG3 ARG A 22 6.707 9.366 -9.254 1.00 44.11 H new ATOM 0 HD2 ARG A 22 9.028 8.134 -7.735 1.00 54.11 H new ATOM 0 HD3 ARG A 22 7.436 7.404 -7.813 1.00 54.11 H new ATOM 0 HE ARG A 22 8.155 7.875 -10.480 1.00 23.44 H new ATOM 0 HH11 ARG A 22 9.569 6.153 -7.732 1.00 53.34 H new ATOM 0 HH12 ARG A 22 10.266 4.880 -8.740 1.00 53.34 H new ATOM 0 HH21 ARG A 22 9.016 6.213 -11.760 1.00 73.10 H new ATOM 0 HH22 ARG A 22 9.954 4.915 -11.012 1.00 73.10 H new ATOM 356 N ARG A 23 5.753 11.702 -9.886 1.00 30.45 N ATOM 357 CA ARG A 23 4.686 11.810 -10.853 1.00 62.44 C ATOM 358 C ARG A 23 3.338 11.847 -10.135 1.00 61.23 C ATOM 359 O ARG A 23 2.812 10.811 -9.724 1.00 34.11 O ATOM 360 CB ARG A 23 4.740 10.647 -11.849 1.00 71.50 C ATOM 361 CG ARG A 23 3.665 10.702 -12.919 1.00 33.32 C ATOM 362 CD ARG A 23 3.957 9.733 -14.049 1.00 71.43 C ATOM 363 NE ARG A 23 5.198 10.072 -14.746 1.00 34.14 N ATOM 364 CZ ARG A 23 5.349 10.053 -16.071 1.00 70.12 C ATOM 365 NH1 ARG A 23 4.340 9.693 -16.854 1.00 43.30 N ATOM 366 NH2 ARG A 23 6.512 10.393 -16.611 1.00 23.03 N ATOM 0 H ARG A 23 5.454 11.347 -8.978 1.00 30.45 H new ATOM 0 HA ARG A 23 4.810 12.737 -11.413 1.00 62.44 H new ATOM 0 HB2 ARG A 23 5.718 10.639 -12.331 1.00 71.50 H new ATOM 0 HB3 ARG A 23 4.647 9.709 -11.302 1.00 71.50 H new ATOM 0 HG2 ARG A 23 2.697 10.466 -12.477 1.00 33.32 H new ATOM 0 HG3 ARG A 23 3.596 11.715 -13.315 1.00 33.32 H new ATOM 0 HD2 ARG A 23 4.028 8.721 -13.651 1.00 71.43 H new ATOM 0 HD3 ARG A 23 3.128 9.740 -14.757 1.00 71.43 H new ATOM 0 HE ARG A 23 6.003 10.341 -14.180 1.00 34.14 H new ATOM 0 HH11 ARG A 23 3.444 9.429 -16.443 1.00 43.30 H new ATOM 0 HH12 ARG A 23 4.460 9.680 -17.867 1.00 43.30 H new ATOM 0 HH21 ARG A 23 7.291 10.669 -16.013 1.00 23.03 H new ATOM 0 HH22 ARG A 23 6.627 10.378 -17.624 1.00 23.03 H new ATOM 380 N PRO A 24 2.775 13.050 -9.964 1.00 74.13 N ATOM 381 CA PRO A 24 1.498 13.249 -9.264 1.00 53.43 C ATOM 382 C PRO A 24 0.294 12.971 -10.165 1.00 45.21 C ATOM 383 O PRO A 24 -0.714 13.685 -10.120 1.00 40.41 O ATOM 384 CB PRO A 24 1.557 14.726 -8.898 1.00 25.01 C ATOM 385 CG PRO A 24 2.320 15.350 -10.011 1.00 63.22 C ATOM 386 CD PRO A 24 3.340 14.330 -10.443 1.00 33.13 C ATOM 0 HA PRO A 24 1.374 12.577 -8.415 1.00 53.43 H new ATOM 0 HB2 PRO A 24 0.559 15.154 -8.811 1.00 25.01 H new ATOM 0 HB3 PRO A 24 2.054 14.879 -7.940 1.00 25.01 H new ATOM 0 HG2 PRO A 24 1.659 15.614 -10.837 1.00 63.22 H new ATOM 0 HG3 PRO A 24 2.804 16.270 -9.684 1.00 63.22 H new ATOM 0 HD2 PRO A 24 3.474 14.330 -11.525 1.00 33.13 H new ATOM 0 HD3 PRO A 24 4.317 14.528 -10.001 1.00 33.13 H new ATOM 394 N SER A 25 0.397 11.924 -10.953 1.00 13.32 N ATOM 395 CA SER A 25 -0.648 11.550 -11.874 1.00 44.42 C ATOM 396 C SER A 25 -1.156 10.147 -11.563 1.00 45.15 C ATOM 397 O SER A 25 -0.363 9.228 -11.308 1.00 30.40 O ATOM 398 CB SER A 25 -0.114 11.609 -13.302 1.00 51.15 C ATOM 399 OG SER A 25 0.461 12.878 -13.571 1.00 3.41 O ATOM 0 H SER A 25 1.210 11.308 -10.972 1.00 13.32 H new ATOM 0 HA SER A 25 -1.479 12.248 -11.769 1.00 44.42 H new ATOM 0 HB2 SER A 25 0.632 10.828 -13.449 1.00 51.15 H new ATOM 0 HB3 SER A 25 -0.923 11.414 -14.006 1.00 51.15 H new ATOM 0 HG SER A 25 0.799 12.896 -14.491 1.00 3.41 H new ATOM 405 N SER A 26 -2.465 9.987 -11.567 1.00 43.01 N ATOM 406 CA SER A 26 -3.072 8.705 -11.313 1.00 34.14 C ATOM 407 C SER A 26 -4.226 8.478 -12.279 1.00 52.15 C ATOM 408 O SER A 26 -4.587 9.374 -13.052 1.00 74.42 O ATOM 409 CB SER A 26 -3.571 8.628 -9.858 1.00 23.53 C ATOM 410 OG SER A 26 -4.614 9.571 -9.605 1.00 33.13 O ATOM 0 H SER A 26 -3.130 10.740 -11.746 1.00 43.01 H new ATOM 0 HA SER A 26 -2.326 7.925 -11.464 1.00 34.14 H new ATOM 0 HB2 SER A 26 -3.933 7.621 -9.651 1.00 23.53 H new ATOM 0 HB3 SER A 26 -2.740 8.814 -9.178 1.00 23.53 H new ATOM 0 HG SER A 26 -4.907 9.493 -8.673 1.00 33.13 H new ATOM 415 N TRP A 27 -4.800 7.285 -12.252 1.00 73.52 N ATOM 416 CA TRP A 27 -5.957 6.996 -13.084 1.00 75.10 C ATOM 417 C TRP A 27 -7.207 7.526 -12.395 1.00 41.34 C ATOM 418 O TRP A 27 -8.310 7.480 -12.940 1.00 65.30 O ATOM 419 CB TRP A 27 -6.091 5.480 -13.354 1.00 34.41 C ATOM 420 CG TRP A 27 -6.580 4.674 -12.177 1.00 34.44 C ATOM 421 CD1 TRP A 27 -5.843 4.226 -11.126 1.00 40.21 C ATOM 422 CD2 TRP A 27 -7.922 4.212 -11.948 1.00 30.11 C ATOM 423 NE1 TRP A 27 -6.640 3.523 -10.253 1.00 63.42 N ATOM 424 CE2 TRP A 27 -7.918 3.501 -10.735 1.00 51.43 C ATOM 425 CE3 TRP A 27 -9.124 4.337 -12.650 1.00 1.34 C ATOM 426 CZ2 TRP A 27 -9.066 2.917 -10.208 1.00 33.32 C ATOM 427 CZ3 TRP A 27 -10.262 3.756 -12.126 1.00 31.12 C ATOM 428 CH2 TRP A 27 -10.226 3.055 -10.916 1.00 52.31 C ATOM 0 H TRP A 27 -4.487 6.509 -11.669 1.00 73.52 H new ATOM 0 HA TRP A 27 -5.830 7.488 -14.048 1.00 75.10 H new ATOM 0 HB2 TRP A 27 -6.776 5.332 -14.189 1.00 34.41 H new ATOM 0 HB3 TRP A 27 -5.121 5.092 -13.665 1.00 34.41 H new ATOM 0 HD1 TRP A 27 -4.785 4.397 -10.996 1.00 40.21 H new ATOM 0 HE1 TRP A 27 -6.327 3.088 -9.385 1.00 63.42 H new ATOM 0 HE3 TRP A 27 -9.162 4.878 -13.584 1.00 1.34 H new ATOM 0 HZ2 TRP A 27 -9.041 2.375 -9.274 1.00 33.32 H new ATOM 0 HZ3 TRP A 27 -11.197 3.844 -12.660 1.00 31.12 H new ATOM 0 HH2 TRP A 27 -11.134 2.614 -10.534 1.00 52.31 H new ATOM 439 N ARG A 28 -7.013 8.042 -11.194 1.00 72.22 N ATOM 440 CA ARG A 28 -8.095 8.559 -10.392 1.00 35.34 C ATOM 441 C ARG A 28 -8.203 10.071 -10.541 1.00 33.43 C ATOM 442 O ARG A 28 -9.290 10.607 -10.748 1.00 73.01 O ATOM 443 CB ARG A 28 -7.879 8.194 -8.925 1.00 65.21 C ATOM 444 CG ARG A 28 -7.738 6.700 -8.675 1.00 4.25 C ATOM 445 CD ARG A 28 -7.594 6.406 -7.195 1.00 60.12 C ATOM 446 NE ARG A 28 -8.752 6.882 -6.440 1.00 53.43 N ATOM 447 CZ ARG A 28 -8.692 7.453 -5.241 1.00 65.34 C ATOM 448 NH1 ARG A 28 -7.526 7.573 -4.613 1.00 64.43 N ATOM 449 NH2 ARG A 28 -9.804 7.892 -4.663 1.00 42.32 N ATOM 0 H ARG A 28 -6.097 8.112 -10.751 1.00 72.22 H new ATOM 0 HA ARG A 28 -9.026 8.111 -10.740 1.00 35.34 H new ATOM 0 HB2 ARG A 28 -6.983 8.699 -8.563 1.00 65.21 H new ATOM 0 HB3 ARG A 28 -8.717 8.573 -8.340 1.00 65.21 H new ATOM 0 HG2 ARG A 28 -8.610 6.178 -9.070 1.00 4.25 H new ATOM 0 HG3 ARG A 28 -6.869 6.319 -9.211 1.00 4.25 H new ATOM 0 HD2 ARG A 28 -7.477 5.333 -7.046 1.00 60.12 H new ATOM 0 HD3 ARG A 28 -6.690 6.881 -6.815 1.00 60.12 H new ATOM 0 HE ARG A 28 -9.673 6.768 -6.864 1.00 53.43 H new ATOM 0 HH11 ARG A 28 -6.673 7.226 -5.051 1.00 64.43 H new ATOM 0 HH12 ARG A 28 -7.485 8.012 -3.693 1.00 64.43 H new ATOM 0 HH21 ARG A 28 -10.700 7.791 -5.139 1.00 42.32 H new ATOM 0 HH22 ARG A 28 -9.762 8.331 -3.743 1.00 42.32 H new ATOM 463 N GLN A 29 -7.073 10.758 -10.438 1.00 12.32 N ATOM 464 CA GLN A 29 -7.054 12.207 -10.550 1.00 35.33 C ATOM 465 C GLN A 29 -6.021 12.670 -11.560 1.00 12.41 C ATOM 466 O GLN A 29 -4.980 12.031 -11.749 1.00 31.21 O ATOM 467 CB GLN A 29 -6.776 12.855 -9.190 1.00 54.01 C ATOM 468 CG GLN A 29 -7.905 12.700 -8.184 1.00 44.02 C ATOM 469 CD GLN A 29 -9.181 13.404 -8.612 1.00 4.32 C ATOM 470 OE1 GLN A 29 -9.147 14.421 -9.307 1.00 14.33 O ATOM 471 NE2 GLN A 29 -10.311 12.871 -8.202 1.00 20.12 N ATOM 0 H GLN A 29 -6.159 10.334 -10.277 1.00 12.32 H new ATOM 0 HA GLN A 29 -8.039 12.519 -10.897 1.00 35.33 H new ATOM 0 HB2 GLN A 29 -5.869 12.420 -8.771 1.00 54.01 H new ATOM 0 HB3 GLN A 29 -6.580 13.917 -9.339 1.00 54.01 H new ATOM 0 HG2 GLN A 29 -8.112 11.640 -8.039 1.00 44.02 H new ATOM 0 HG3 GLN A 29 -7.583 13.096 -7.221 1.00 44.02 H new ATOM 0 HE21 GLN A 29 -10.299 12.028 -7.628 1.00 20.12 H new ATOM 0 HE22 GLN A 29 -11.200 13.300 -8.458 1.00 20.12 H new ATOM 480 N GLU A 30 -6.317 13.776 -12.210 1.00 43.04 N ATOM 481 CA GLU A 30 -5.412 14.364 -13.166 1.00 40.40 C ATOM 482 C GLU A 30 -4.246 14.998 -12.433 1.00 73.12 C ATOM 483 O GLU A 30 -3.085 14.734 -12.745 1.00 34.15 O ATOM 484 CB GLU A 30 -6.158 15.399 -14.029 1.00 2.52 C ATOM 485 CG GLU A 30 -5.303 16.111 -15.075 1.00 54.11 C ATOM 486 CD GLU A 30 -4.642 17.372 -14.551 1.00 13.34 C ATOM 487 OE1 GLU A 30 -5.361 18.351 -14.279 1.00 22.42 O ATOM 488 OE2 GLU A 30 -3.397 17.399 -14.437 1.00 63.22 O ATOM 0 H GLU A 30 -7.190 14.289 -12.089 1.00 43.04 H new ATOM 0 HA GLU A 30 -5.024 13.592 -13.830 1.00 40.40 H new ATOM 0 HB2 GLU A 30 -6.983 14.898 -14.537 1.00 2.52 H new ATOM 0 HB3 GLU A 30 -6.597 16.149 -13.371 1.00 2.52 H new ATOM 0 HG2 GLU A 30 -4.533 15.427 -15.432 1.00 54.11 H new ATOM 0 HG3 GLU A 30 -5.926 16.365 -15.932 1.00 54.11 H new ATOM 495 N LYS A 31 -4.558 15.807 -11.440 1.00 45.42 N ATOM 496 CA LYS A 31 -3.540 16.478 -10.674 1.00 24.44 C ATOM 497 C LYS A 31 -3.679 16.190 -9.184 1.00 74.51 C ATOM 498 O LYS A 31 -4.653 16.587 -8.542 1.00 35.11 O ATOM 499 CB LYS A 31 -3.564 17.993 -10.936 1.00 51.21 C ATOM 500 CG LYS A 31 -4.898 18.668 -10.632 1.00 62.50 C ATOM 501 CD LYS A 31 -4.807 20.177 -10.789 1.00 22.23 C ATOM 502 CE LYS A 31 -4.563 20.578 -12.231 1.00 22.40 C ATOM 503 NZ LYS A 31 -4.374 22.038 -12.373 1.00 41.54 N ATOM 0 H LYS A 31 -5.513 16.013 -11.148 1.00 45.42 H new ATOM 0 HA LYS A 31 -2.576 16.087 -11.000 1.00 24.44 H new ATOM 0 HB2 LYS A 31 -2.787 18.465 -10.334 1.00 51.21 H new ATOM 0 HB3 LYS A 31 -3.311 18.172 -11.981 1.00 51.21 H new ATOM 0 HG2 LYS A 31 -5.665 18.277 -11.300 1.00 62.50 H new ATOM 0 HG3 LYS A 31 -5.207 18.425 -9.615 1.00 62.50 H new ATOM 0 HD2 LYS A 31 -5.730 20.636 -10.435 1.00 22.23 H new ATOM 0 HD3 LYS A 31 -4.001 20.560 -10.164 1.00 22.23 H new ATOM 0 HE2 LYS A 31 -3.681 20.059 -12.608 1.00 22.40 H new ATOM 0 HE3 LYS A 31 -5.406 20.260 -12.844 1.00 22.40 H new ATOM 0 HZ1 LYS A 31 -4.210 22.271 -13.373 1.00 41.54 H new ATOM 0 HZ2 LYS A 31 -5.225 22.533 -12.037 1.00 41.54 H new ATOM 0 HZ3 LYS A 31 -3.554 22.338 -11.809 1.00 41.54 H new ATOM 517 N ILE A 32 -2.720 15.475 -8.649 1.00 75.11 N ATOM 518 CA ILE A 32 -2.687 15.202 -7.234 1.00 13.20 C ATOM 519 C ILE A 32 -1.898 16.305 -6.549 1.00 54.12 C ATOM 520 O ILE A 32 -0.678 16.367 -6.672 1.00 44.51 O ATOM 521 CB ILE A 32 -2.039 13.827 -6.943 1.00 13.30 C ATOM 522 CG1 ILE A 32 -2.826 12.716 -7.650 1.00 13.32 C ATOM 523 CG2 ILE A 32 -1.977 13.568 -5.443 1.00 71.11 C ATOM 524 CD1 ILE A 32 -2.226 11.338 -7.484 1.00 50.32 C ATOM 0 H ILE A 32 -1.947 15.069 -9.177 1.00 75.11 H new ATOM 0 HA ILE A 32 -3.707 15.172 -6.852 1.00 13.20 H new ATOM 0 HB ILE A 32 -1.019 13.834 -7.327 1.00 13.30 H new ATOM 0 HG12 ILE A 32 -3.846 12.706 -7.266 1.00 13.32 H new ATOM 0 HG13 ILE A 32 -2.888 12.949 -8.713 1.00 13.32 H new ATOM 0 HG21 ILE A 32 -1.518 12.596 -5.260 1.00 71.11 H new ATOM 0 HG22 ILE A 32 -1.383 14.346 -4.964 1.00 71.11 H new ATOM 0 HG23 ILE A 32 -2.986 13.576 -5.030 1.00 71.11 H new ATOM 0 HD11 ILE A 32 -2.839 10.608 -8.012 1.00 50.32 H new ATOM 0 HD12 ILE A 32 -1.216 11.329 -7.895 1.00 50.32 H new ATOM 0 HD13 ILE A 32 -2.189 11.082 -6.425 1.00 50.32 H new ATOM 536 N THR A 33 -2.594 17.193 -5.864 1.00 52.41 N ATOM 537 CA THR A 33 -1.958 18.336 -5.234 1.00 14.31 C ATOM 538 C THR A 33 -1.600 18.072 -3.775 1.00 34.22 C ATOM 539 O THR A 33 -0.816 18.812 -3.181 1.00 34.41 O ATOM 540 CB THR A 33 -2.846 19.589 -5.338 1.00 13.12 C ATOM 541 OG1 THR A 33 -4.205 19.253 -5.008 1.00 53.21 O ATOM 542 CG2 THR A 33 -2.791 20.172 -6.743 1.00 45.24 C ATOM 0 H THR A 33 -3.604 17.145 -5.729 1.00 52.41 H new ATOM 0 HA THR A 33 -1.029 18.510 -5.776 1.00 14.31 H new ATOM 0 HB THR A 33 -2.474 20.335 -4.636 1.00 13.12 H new ATOM 0 HG1 THR A 33 -4.765 20.054 -5.074 1.00 53.21 H new ATOM 0 HG21 THR A 33 -3.426 21.057 -6.795 1.00 45.24 H new ATOM 0 HG22 THR A 33 -1.764 20.447 -6.983 1.00 45.24 H new ATOM 0 HG23 THR A 33 -3.144 19.430 -7.459 1.00 45.24 H new ATOM 550 N ARG A 34 -2.173 17.024 -3.201 1.00 12.43 N ATOM 551 CA ARG A 34 -1.882 16.660 -1.817 1.00 62.23 C ATOM 552 C ARG A 34 -0.447 16.149 -1.695 1.00 4.24 C ATOM 553 O ARG A 34 -0.053 15.217 -2.392 1.00 54.02 O ATOM 554 CB ARG A 34 -2.866 15.590 -1.322 1.00 52.42 C ATOM 555 CG ARG A 34 -2.859 14.323 -2.158 1.00 74.34 C ATOM 556 CD ARG A 34 -3.799 13.276 -1.610 1.00 11.01 C ATOM 557 NE ARG A 34 -3.903 12.127 -2.509 1.00 23.21 N ATOM 558 CZ ARG A 34 -5.060 11.596 -2.908 1.00 51.31 C ATOM 559 NH1 ARG A 34 -6.208 12.072 -2.440 1.00 73.34 N ATOM 560 NH2 ARG A 34 -5.069 10.586 -3.772 1.00 55.12 N ATOM 0 H ARG A 34 -2.841 16.411 -3.668 1.00 12.43 H new ATOM 0 HA ARG A 34 -1.995 17.549 -1.197 1.00 62.23 H new ATOM 0 HB2 ARG A 34 -2.624 15.336 -0.290 1.00 52.42 H new ATOM 0 HB3 ARG A 34 -3.873 16.008 -1.319 1.00 52.42 H new ATOM 0 HG2 ARG A 34 -3.143 14.564 -3.183 1.00 74.34 H new ATOM 0 HG3 ARG A 34 -1.848 13.918 -2.194 1.00 74.34 H new ATOM 0 HD2 ARG A 34 -3.447 12.945 -0.633 1.00 11.01 H new ATOM 0 HD3 ARG A 34 -4.786 13.714 -1.461 1.00 11.01 H new ATOM 0 HE ARG A 34 -3.039 11.706 -2.851 1.00 23.21 H new ATOM 0 HH11 ARG A 34 -6.206 12.845 -1.774 1.00 73.34 H new ATOM 0 HH12 ARG A 34 -7.092 11.665 -2.746 1.00 73.34 H new ATOM 0 HH21 ARG A 34 -4.190 10.215 -4.132 1.00 55.12 H new ATOM 0 HH22 ARG A 34 -5.955 10.182 -4.075 1.00 55.12 H new ATOM 574 N THR A 35 0.334 16.763 -0.834 1.00 13.34 N ATOM 575 CA THR A 35 1.708 16.345 -0.653 1.00 75.15 C ATOM 576 C THR A 35 1.798 15.112 0.268 1.00 71.34 C ATOM 577 O THR A 35 0.780 14.520 0.632 1.00 51.51 O ATOM 578 CB THR A 35 2.602 17.499 -0.116 1.00 20.31 C ATOM 579 OG1 THR A 35 3.982 17.105 -0.135 1.00 31.23 O ATOM 580 CG2 THR A 35 2.205 17.894 1.300 1.00 43.03 C ATOM 0 H THR A 35 0.045 17.549 -0.251 1.00 13.34 H new ATOM 0 HA THR A 35 2.088 16.067 -1.636 1.00 75.15 H new ATOM 0 HB THR A 35 2.458 18.361 -0.767 1.00 20.31 H new ATOM 0 HG1 THR A 35 4.536 17.839 0.203 1.00 31.23 H new ATOM 0 HG21 THR A 35 2.849 18.703 1.646 1.00 43.03 H new ATOM 0 HG22 THR A 35 1.167 18.228 1.307 1.00 43.03 H new ATOM 0 HG23 THR A 35 2.314 17.035 1.962 1.00 43.03 H new ATOM 588 N LYS A 36 3.021 14.744 0.627 1.00 42.51 N ATOM 589 CA LYS A 36 3.305 13.566 1.445 1.00 14.32 C ATOM 590 C LYS A 36 2.467 13.545 2.730 1.00 32.34 C ATOM 591 O LYS A 36 1.759 12.575 2.998 1.00 13.34 O ATOM 592 CB LYS A 36 4.801 13.534 1.774 1.00 32.54 C ATOM 593 CG LYS A 36 5.272 12.288 2.504 1.00 1.13 C ATOM 594 CD LYS A 36 6.785 12.299 2.651 1.00 61.21 C ATOM 595 CE LYS A 36 7.297 11.060 3.362 1.00 21.24 C ATOM 596 NZ LYS A 36 8.779 11.036 3.416 1.00 42.40 N ATOM 0 H LYS A 36 3.857 15.261 0.356 1.00 42.51 H new ATOM 0 HA LYS A 36 3.033 12.677 0.877 1.00 14.32 H new ATOM 0 HB2 LYS A 36 5.364 13.627 0.845 1.00 32.54 H new ATOM 0 HB3 LYS A 36 5.043 14.406 2.382 1.00 32.54 H new ATOM 0 HG2 LYS A 36 4.805 12.237 3.488 1.00 1.13 H new ATOM 0 HG3 LYS A 36 4.960 11.399 1.957 1.00 1.13 H new ATOM 0 HD2 LYS A 36 7.244 12.367 1.665 1.00 61.21 H new ATOM 0 HD3 LYS A 36 7.089 13.187 3.206 1.00 61.21 H new ATOM 0 HE2 LYS A 36 6.895 11.028 4.375 1.00 21.24 H new ATOM 0 HE3 LYS A 36 6.936 10.169 2.848 1.00 21.24 H new ATOM 0 HZ1 LYS A 36 9.095 10.176 3.908 1.00 42.40 H new ATOM 0 HZ2 LYS A 36 9.162 11.041 2.449 1.00 42.40 H new ATOM 0 HZ3 LYS A 36 9.121 11.874 3.929 1.00 42.40 H new ATOM 610 N GLU A 37 2.533 14.628 3.495 1.00 70.35 N ATOM 611 CA GLU A 37 1.802 14.727 4.762 1.00 41.14 C ATOM 612 C GLU A 37 0.291 14.684 4.548 1.00 21.31 C ATOM 613 O GLU A 37 -0.440 14.054 5.320 1.00 41.13 O ATOM 614 CB GLU A 37 2.176 16.012 5.489 1.00 1.00 C ATOM 615 CG GLU A 37 3.641 16.110 5.862 1.00 44.22 C ATOM 616 CD GLU A 37 3.956 17.393 6.583 1.00 24.04 C ATOM 617 OE1 GLU A 37 3.678 17.481 7.793 1.00 21.44 O ATOM 618 OE2 GLU A 37 4.468 18.332 5.940 1.00 72.21 O ATOM 0 H GLU A 37 3.085 15.454 3.263 1.00 70.35 H new ATOM 0 HA GLU A 37 2.085 13.866 5.368 1.00 41.14 H new ATOM 0 HB2 GLU A 37 1.915 16.862 4.858 1.00 1.00 H new ATOM 0 HB3 GLU A 37 1.576 16.092 6.395 1.00 1.00 H new ATOM 0 HG2 GLU A 37 3.911 15.264 6.494 1.00 44.22 H new ATOM 0 HG3 GLU A 37 4.250 16.042 4.960 1.00 44.22 H new ATOM 625 N GLU A 38 -0.168 15.338 3.491 1.00 62.34 N ATOM 626 CA GLU A 38 -1.594 15.419 3.193 1.00 71.22 C ATOM 627 C GLU A 38 -2.146 14.063 2.766 1.00 63.00 C ATOM 628 O GLU A 38 -3.349 13.815 2.847 1.00 30.34 O ATOM 629 CB GLU A 38 -1.854 16.464 2.113 1.00 54.23 C ATOM 630 CG GLU A 38 -1.299 17.839 2.443 1.00 23.33 C ATOM 631 CD GLU A 38 -1.781 18.369 3.774 1.00 33.54 C ATOM 632 OE1 GLU A 38 -2.870 18.975 3.820 1.00 4.01 O ATOM 633 OE2 GLU A 38 -1.069 18.194 4.777 1.00 61.41 O ATOM 0 H GLU A 38 0.429 15.823 2.821 1.00 62.34 H new ATOM 0 HA GLU A 38 -2.111 15.721 4.104 1.00 71.22 H new ATOM 0 HB2 GLU A 38 -1.416 16.121 1.176 1.00 54.23 H new ATOM 0 HB3 GLU A 38 -2.929 16.546 1.951 1.00 54.23 H new ATOM 0 HG2 GLU A 38 -0.210 17.793 2.450 1.00 23.33 H new ATOM 0 HG3 GLU A 38 -1.583 18.538 1.656 1.00 23.33 H new ATOM 640 N ALA A 39 -1.269 13.196 2.304 1.00 34.13 N ATOM 641 CA ALA A 39 -1.662 11.858 1.922 1.00 23.33 C ATOM 642 C ALA A 39 -1.598 10.938 3.130 1.00 30.42 C ATOM 643 O ALA A 39 -2.412 10.028 3.279 1.00 24.22 O ATOM 644 CB ALA A 39 -0.768 11.338 0.804 1.00 62.44 C ATOM 0 H ALA A 39 -0.276 13.396 2.184 1.00 34.13 H new ATOM 0 HA ALA A 39 -2.687 11.882 1.552 1.00 23.33 H new ATOM 0 HB1 ALA A 39 -1.078 10.330 0.529 1.00 62.44 H new ATOM 0 HB2 ALA A 39 -0.852 11.993 -0.063 1.00 62.44 H new ATOM 0 HB3 ALA A 39 0.267 11.319 1.145 1.00 62.44 H new ATOM 650 N LEU A 40 -0.635 11.208 4.005 1.00 45.12 N ATOM 651 CA LEU A 40 -0.426 10.421 5.214 1.00 71.21 C ATOM 652 C LEU A 40 -1.658 10.467 6.124 1.00 5.32 C ATOM 653 O LEU A 40 -2.079 9.438 6.661 1.00 60.31 O ATOM 654 CB LEU A 40 0.844 10.921 5.948 1.00 44.20 C ATOM 655 CG LEU A 40 1.288 10.151 7.213 1.00 35.11 C ATOM 656 CD1 LEU A 40 0.502 10.599 8.433 1.00 4.04 C ATOM 657 CD2 LEU A 40 1.154 8.645 7.010 1.00 72.13 C ATOM 0 H LEU A 40 0.023 11.980 3.895 1.00 45.12 H new ATOM 0 HA LEU A 40 -0.277 9.378 4.936 1.00 71.21 H new ATOM 0 HB2 LEU A 40 1.671 10.906 5.238 1.00 44.20 H new ATOM 0 HB3 LEU A 40 0.683 11.962 6.227 1.00 44.20 H new ATOM 0 HG LEU A 40 2.339 10.380 7.387 1.00 35.11 H new ATOM 0 HD11 LEU A 40 0.836 10.040 9.307 1.00 4.04 H new ATOM 0 HD12 LEU A 40 0.664 11.664 8.600 1.00 4.04 H new ATOM 0 HD13 LEU A 40 -0.560 10.415 8.269 1.00 4.04 H new ATOM 0 HD21 LEU A 40 1.473 8.126 7.914 1.00 72.13 H new ATOM 0 HD22 LEU A 40 0.114 8.398 6.797 1.00 72.13 H new ATOM 0 HD23 LEU A 40 1.780 8.334 6.173 1.00 72.13 H new ATOM 669 N GLU A 41 -2.239 11.651 6.283 1.00 73.01 N ATOM 670 CA GLU A 41 -3.425 11.805 7.124 1.00 15.23 C ATOM 671 C GLU A 41 -4.593 10.970 6.587 1.00 23.31 C ATOM 672 O GLU A 41 -5.413 10.460 7.356 1.00 32.30 O ATOM 673 CB GLU A 41 -3.815 13.282 7.263 1.00 11.53 C ATOM 674 CG GLU A 41 -3.964 14.018 5.944 1.00 71.20 C ATOM 675 CD GLU A 41 -4.300 15.479 6.135 1.00 74.04 C ATOM 676 OE1 GLU A 41 -3.474 16.212 6.716 1.00 21.41 O ATOM 677 OE2 GLU A 41 -5.390 15.907 5.700 1.00 5.33 O ATOM 0 H GLU A 41 -1.913 12.513 5.846 1.00 73.01 H new ATOM 0 HA GLU A 41 -3.181 11.432 8.119 1.00 15.23 H new ATOM 0 HB2 GLU A 41 -4.756 13.347 7.810 1.00 11.53 H new ATOM 0 HB3 GLU A 41 -3.061 13.789 7.865 1.00 11.53 H new ATOM 0 HG2 GLU A 41 -3.037 13.932 5.376 1.00 71.20 H new ATOM 0 HG3 GLU A 41 -4.746 13.542 5.352 1.00 71.20 H new ATOM 684 N LEU A 42 -4.647 10.814 5.270 1.00 11.03 N ATOM 685 CA LEU A 42 -5.668 9.991 4.642 1.00 74.35 C ATOM 686 C LEU A 42 -5.366 8.524 4.898 1.00 53.50 C ATOM 687 O LEU A 42 -6.265 7.732 5.181 1.00 31.14 O ATOM 688 CB LEU A 42 -5.730 10.257 3.136 1.00 0.40 C ATOM 689 CG LEU A 42 -6.086 11.686 2.721 1.00 5.34 C ATOM 690 CD1 LEU A 42 -6.044 11.822 1.210 1.00 14.44 C ATOM 691 CD2 LEU A 42 -7.460 12.074 3.253 1.00 52.43 C ATOM 0 H LEU A 42 -3.994 11.248 4.617 1.00 11.03 H new ATOM 0 HA LEU A 42 -6.636 10.245 5.074 1.00 74.35 H new ATOM 0 HB2 LEU A 42 -4.762 10.004 2.702 1.00 0.40 H new ATOM 0 HB3 LEU A 42 -6.462 9.579 2.697 1.00 0.40 H new ATOM 0 HG LEU A 42 -5.349 12.364 3.152 1.00 5.34 H new ATOM 0 HD11 LEU A 42 -6.299 12.844 0.929 1.00 14.44 H new ATOM 0 HD12 LEU A 42 -5.042 11.587 0.851 1.00 14.44 H new ATOM 0 HD13 LEU A 42 -6.760 11.133 0.763 1.00 14.44 H new ATOM 0 HD21 LEU A 42 -7.694 13.094 2.947 1.00 52.43 H new ATOM 0 HD22 LEU A 42 -8.211 11.393 2.852 1.00 52.43 H new ATOM 0 HD23 LEU A 42 -7.459 12.013 4.341 1.00 52.43 H new ATOM 703 N ILE A 43 -4.082 8.179 4.807 1.00 53.03 N ATOM 704 CA ILE A 43 -3.608 6.821 5.056 1.00 1.25 C ATOM 705 C ILE A 43 -4.018 6.356 6.446 1.00 55.11 C ATOM 706 O ILE A 43 -4.606 5.282 6.602 1.00 41.22 O ATOM 707 CB ILE A 43 -2.066 6.733 4.905 1.00 50.10 C ATOM 708 CG1 ILE A 43 -1.659 6.965 3.446 1.00 34.10 C ATOM 709 CG2 ILE A 43 -1.532 5.397 5.406 1.00 13.43 C ATOM 710 CD1 ILE A 43 -2.191 5.920 2.484 1.00 5.32 C ATOM 0 H ILE A 43 -3.342 8.835 4.558 1.00 53.03 H new ATOM 0 HA ILE A 43 -4.067 6.168 4.314 1.00 1.25 H new ATOM 0 HB ILE A 43 -1.624 7.516 5.521 1.00 50.10 H new ATOM 0 HG12 ILE A 43 -2.013 7.947 3.132 1.00 34.10 H new ATOM 0 HG13 ILE A 43 -0.571 6.983 3.381 1.00 34.10 H new ATOM 0 HG21 ILE A 43 -0.449 5.370 5.285 1.00 13.43 H new ATOM 0 HG22 ILE A 43 -1.783 5.277 6.460 1.00 13.43 H new ATOM 0 HG23 ILE A 43 -1.982 4.587 4.832 1.00 13.43 H new ATOM 0 HD11 ILE A 43 -1.860 6.154 1.472 1.00 5.32 H new ATOM 0 HD12 ILE A 43 -1.816 4.937 2.770 1.00 5.32 H new ATOM 0 HD13 ILE A 43 -3.280 5.916 2.517 1.00 5.32 H new ATOM 722 N ASN A 44 -3.723 7.176 7.453 1.00 15.00 N ATOM 723 CA ASN A 44 -4.100 6.858 8.829 1.00 51.22 C ATOM 724 C ASN A 44 -5.599 6.692 8.940 1.00 53.15 C ATOM 725 O ASN A 44 -6.085 5.824 9.667 1.00 41.11 O ATOM 726 CB ASN A 44 -3.621 7.933 9.806 1.00 2.33 C ATOM 727 CG ASN A 44 -2.131 7.871 10.060 1.00 71.30 C ATOM 728 OD1 ASN A 44 -1.513 6.809 9.965 1.00 62.33 O ATOM 729 ND2 ASN A 44 -1.548 8.999 10.397 1.00 54.42 N ATOM 0 H ASN A 44 -3.227 8.061 7.343 1.00 15.00 H new ATOM 0 HA ASN A 44 -3.613 5.919 9.094 1.00 51.22 H new ATOM 0 HB2 ASN A 44 -3.877 8.916 9.412 1.00 2.33 H new ATOM 0 HB3 ASN A 44 -4.151 7.821 10.752 1.00 2.33 H new ATOM 0 HD21 ASN A 44 -0.547 9.017 10.591 1.00 54.42 H new ATOM 0 HD22 ASN A 44 -2.096 9.856 10.464 1.00 54.42 H new ATOM 736 N GLY A 45 -6.330 7.518 8.197 1.00 24.43 N ATOM 737 CA GLY A 45 -7.772 7.437 8.189 1.00 64.42 C ATOM 738 C GLY A 45 -8.255 6.077 7.746 1.00 71.21 C ATOM 739 O GLY A 45 -9.101 5.468 8.401 1.00 3.25 O ATOM 0 H GLY A 45 -5.941 8.246 7.597 1.00 24.43 H new ATOM 0 HA2 GLY A 45 -8.154 7.651 9.187 1.00 64.42 H new ATOM 0 HA3 GLY A 45 -8.175 8.200 7.524 1.00 64.42 H new ATOM 743 N TYR A 46 -7.697 5.587 6.642 1.00 31.12 N ATOM 744 CA TYR A 46 -8.047 4.272 6.122 1.00 53.23 C ATOM 745 C TYR A 46 -7.738 3.197 7.151 1.00 64.35 C ATOM 746 O TYR A 46 -8.548 2.303 7.388 1.00 42.32 O ATOM 747 CB TYR A 46 -7.301 3.987 4.813 1.00 51.15 C ATOM 748 CG TYR A 46 -7.655 4.940 3.695 1.00 34.11 C ATOM 749 CD1 TYR A 46 -8.981 5.187 3.362 1.00 32.32 C ATOM 750 CD2 TYR A 46 -6.667 5.603 2.980 1.00 33.42 C ATOM 751 CE1 TYR A 46 -9.310 6.064 2.351 1.00 71.31 C ATOM 752 CE2 TYR A 46 -6.989 6.485 1.969 1.00 0.44 C ATOM 753 CZ TYR A 46 -8.312 6.712 1.659 1.00 72.25 C ATOM 754 OH TYR A 46 -8.639 7.592 0.655 1.00 50.01 O ATOM 0 H TYR A 46 -6.998 6.084 6.090 1.00 31.12 H new ATOM 0 HA TYR A 46 -9.117 4.261 5.915 1.00 53.23 H new ATOM 0 HB2 TYR A 46 -6.228 4.039 4.997 1.00 51.15 H new ATOM 0 HB3 TYR A 46 -7.521 2.968 4.494 1.00 51.15 H new ATOM 0 HD1 TYR A 46 -9.767 4.683 3.905 1.00 32.32 H new ATOM 0 HD2 TYR A 46 -5.629 5.425 3.219 1.00 33.42 H new ATOM 0 HE1 TYR A 46 -10.346 6.242 2.103 1.00 71.31 H new ATOM 0 HE2 TYR A 46 -6.208 6.995 1.424 1.00 0.44 H new ATOM 0 HH TYR A 46 -9.137 7.120 -0.045 1.00 50.01 H new ATOM 764 N ILE A 47 -6.569 3.312 7.778 1.00 61.32 N ATOM 765 CA ILE A 47 -6.149 2.378 8.817 1.00 43.32 C ATOM 766 C ILE A 47 -7.182 2.335 9.943 1.00 64.44 C ATOM 767 O ILE A 47 -7.537 1.262 10.438 1.00 61.15 O ATOM 768 CB ILE A 47 -4.770 2.776 9.403 1.00 3.34 C ATOM 769 CG1 ILE A 47 -3.702 2.761 8.307 1.00 30.41 C ATOM 770 CG2 ILE A 47 -4.377 1.847 10.547 1.00 42.45 C ATOM 771 CD1 ILE A 47 -2.345 3.242 8.771 1.00 21.32 C ATOM 0 H ILE A 47 -5.892 4.049 7.581 1.00 61.32 H new ATOM 0 HA ILE A 47 -6.065 1.392 8.360 1.00 43.32 H new ATOM 0 HB ILE A 47 -4.846 3.788 9.801 1.00 3.34 H new ATOM 0 HG12 ILE A 47 -3.605 1.746 7.921 1.00 30.41 H new ATOM 0 HG13 ILE A 47 -4.035 3.387 7.479 1.00 30.41 H new ATOM 0 HG21 ILE A 47 -3.406 2.146 10.942 1.00 42.45 H new ATOM 0 HG22 ILE A 47 -5.125 1.907 11.338 1.00 42.45 H new ATOM 0 HG23 ILE A 47 -4.319 0.822 10.180 1.00 42.45 H new ATOM 0 HD11 ILE A 47 -1.641 3.203 7.940 1.00 21.32 H new ATOM 0 HD12 ILE A 47 -2.426 4.268 9.130 1.00 21.32 H new ATOM 0 HD13 ILE A 47 -1.989 2.602 9.578 1.00 21.32 H new ATOM 783 N GLN A 48 -7.670 3.508 10.331 1.00 61.45 N ATOM 784 CA GLN A 48 -8.671 3.604 11.382 1.00 2.44 C ATOM 785 C GLN A 48 -9.967 2.931 10.940 1.00 44.25 C ATOM 786 O GLN A 48 -10.511 2.086 11.649 1.00 23.01 O ATOM 787 CB GLN A 48 -8.960 5.073 11.750 1.00 60.41 C ATOM 788 CG GLN A 48 -7.742 5.888 12.179 1.00 63.45 C ATOM 789 CD GLN A 48 -6.909 5.211 13.249 1.00 3.32 C ATOM 790 OE1 GLN A 48 -7.177 5.347 14.443 1.00 30.23 O ATOM 791 NE2 GLN A 48 -5.868 4.510 12.831 1.00 14.31 N ATOM 0 H GLN A 48 -7.388 4.404 9.933 1.00 61.45 H new ATOM 0 HA GLN A 48 -8.274 3.097 12.262 1.00 2.44 H new ATOM 0 HB2 GLN A 48 -9.420 5.562 10.891 1.00 60.41 H new ATOM 0 HB3 GLN A 48 -9.692 5.091 12.557 1.00 60.41 H new ATOM 0 HG2 GLN A 48 -7.116 6.077 11.307 1.00 63.45 H new ATOM 0 HG3 GLN A 48 -8.075 6.858 12.548 1.00 63.45 H new ATOM 0 HE21 GLN A 48 -5.681 4.422 11.832 1.00 14.31 H new ATOM 0 HE22 GLN A 48 -5.253 4.058 13.507 1.00 14.31 H new ATOM 800 N LYS A 49 -10.430 3.290 9.741 1.00 62.13 N ATOM 801 CA LYS A 49 -11.693 2.787 9.191 1.00 21.44 C ATOM 802 C LYS A 49 -11.752 1.264 9.142 1.00 60.52 C ATOM 803 O LYS A 49 -12.795 0.671 9.449 1.00 25.22 O ATOM 804 CB LYS A 49 -11.933 3.364 7.797 1.00 62.25 C ATOM 805 CG LYS A 49 -12.134 4.864 7.792 1.00 54.41 C ATOM 806 CD LYS A 49 -12.495 5.377 6.413 1.00 51.45 C ATOM 807 CE LYS A 49 -12.758 6.874 6.438 1.00 72.02 C ATOM 808 NZ LYS A 49 -13.819 7.235 7.412 1.00 23.43 N ATOM 0 H LYS A 49 -9.941 3.938 9.123 1.00 62.13 H new ATOM 0 HA LYS A 49 -12.482 3.117 9.867 1.00 21.44 H new ATOM 0 HB2 LYS A 49 -11.085 3.117 7.159 1.00 62.25 H new ATOM 0 HB3 LYS A 49 -12.810 2.886 7.360 1.00 62.25 H new ATOM 0 HG2 LYS A 49 -12.923 5.128 8.496 1.00 54.41 H new ATOM 0 HG3 LYS A 49 -11.223 5.354 8.136 1.00 54.41 H new ATOM 0 HD2 LYS A 49 -11.685 5.158 5.717 1.00 51.45 H new ATOM 0 HD3 LYS A 49 -13.379 4.855 6.047 1.00 51.45 H new ATOM 0 HE2 LYS A 49 -11.838 7.400 6.693 1.00 72.02 H new ATOM 0 HE3 LYS A 49 -13.051 7.208 5.442 1.00 72.02 H new ATOM 0 HZ1 LYS A 49 -14.229 8.155 7.153 1.00 23.43 H new ATOM 0 HZ2 LYS A 49 -14.563 6.509 7.400 1.00 23.43 H new ATOM 0 HZ3 LYS A 49 -13.409 7.295 8.366 1.00 23.43 H new ATOM 822 N ILE A 50 -10.644 0.640 8.763 1.00 65.02 N ATOM 823 CA ILE A 50 -10.578 -0.817 8.655 1.00 42.55 C ATOM 824 C ILE A 50 -10.904 -1.494 9.987 1.00 51.24 C ATOM 825 O ILE A 50 -11.691 -2.440 10.037 1.00 32.11 O ATOM 826 CB ILE A 50 -9.182 -1.289 8.167 1.00 50.53 C ATOM 827 CG1 ILE A 50 -8.887 -0.720 6.777 1.00 2.30 C ATOM 828 CG2 ILE A 50 -9.103 -2.816 8.146 1.00 32.53 C ATOM 829 CD1 ILE A 50 -7.495 -1.028 6.269 1.00 14.40 C ATOM 0 H ILE A 50 -9.776 1.119 8.524 1.00 65.02 H new ATOM 0 HA ILE A 50 -11.327 -1.108 7.919 1.00 42.55 H new ATOM 0 HB ILE A 50 -8.430 -0.919 8.864 1.00 50.53 H new ATOM 0 HG12 ILE A 50 -9.616 -1.117 6.071 1.00 2.30 H new ATOM 0 HG13 ILE A 50 -9.023 0.361 6.802 1.00 2.30 H new ATOM 0 HG21 ILE A 50 -8.116 -3.125 7.801 1.00 32.53 H new ATOM 0 HG22 ILE A 50 -9.274 -3.203 9.151 1.00 32.53 H new ATOM 0 HG23 ILE A 50 -9.863 -3.210 7.471 1.00 32.53 H new ATOM 0 HD11 ILE A 50 -7.364 -0.591 5.279 1.00 14.40 H new ATOM 0 HD12 ILE A 50 -6.757 -0.607 6.952 1.00 14.40 H new ATOM 0 HD13 ILE A 50 -7.360 -2.108 6.210 1.00 14.40 H new ATOM 841 N LYS A 51 -10.325 -0.992 11.066 1.00 53.44 N ATOM 842 CA LYS A 51 -10.530 -1.599 12.374 1.00 43.04 C ATOM 843 C LYS A 51 -11.768 -1.040 13.077 1.00 54.13 C ATOM 844 O LYS A 51 -12.293 -1.654 14.005 1.00 13.12 O ATOM 845 CB LYS A 51 -9.287 -1.437 13.250 1.00 72.30 C ATOM 846 CG LYS A 51 -8.015 -1.983 12.609 1.00 32.30 C ATOM 847 CD LYS A 51 -6.908 -2.192 13.634 1.00 34.42 C ATOM 848 CE LYS A 51 -6.570 -0.914 14.381 1.00 3.01 C ATOM 849 NZ LYS A 51 -5.515 -1.137 15.399 1.00 33.41 N ATOM 0 H LYS A 51 -9.715 -0.174 11.065 1.00 53.44 H new ATOM 0 HA LYS A 51 -10.703 -2.663 12.213 1.00 43.04 H new ATOM 0 HB2 LYS A 51 -9.146 -0.380 13.475 1.00 72.30 H new ATOM 0 HB3 LYS A 51 -9.453 -1.946 14.200 1.00 72.30 H new ATOM 0 HG2 LYS A 51 -8.235 -2.929 12.114 1.00 32.30 H new ATOM 0 HG3 LYS A 51 -7.671 -1.293 11.839 1.00 32.30 H new ATOM 0 HD2 LYS A 51 -7.215 -2.957 14.347 1.00 34.42 H new ATOM 0 HD3 LYS A 51 -6.015 -2.564 13.131 1.00 34.42 H new ATOM 0 HE2 LYS A 51 -6.238 -0.155 13.672 1.00 3.01 H new ATOM 0 HE3 LYS A 51 -7.467 -0.527 14.865 1.00 3.01 H new ATOM 0 HZ1 LYS A 51 -5.311 -0.243 15.889 1.00 33.41 H new ATOM 0 HZ2 LYS A 51 -5.842 -1.843 16.089 1.00 33.41 H new ATOM 0 HZ3 LYS A 51 -4.651 -1.482 14.934 1.00 33.41 H new ATOM 863 N SER A 52 -12.235 0.120 12.634 1.00 33.10 N ATOM 864 CA SER A 52 -13.428 0.722 13.214 1.00 62.20 C ATOM 865 C SER A 52 -14.681 -0.008 12.743 1.00 24.33 C ATOM 866 O SER A 52 -15.678 -0.084 13.464 1.00 74.14 O ATOM 867 CB SER A 52 -13.512 2.207 12.861 1.00 62.31 C ATOM 868 OG SER A 52 -12.378 2.906 13.345 1.00 21.21 O ATOM 0 H SER A 52 -11.809 0.660 11.880 1.00 33.10 H new ATOM 0 HA SER A 52 -13.361 0.630 14.298 1.00 62.20 H new ATOM 0 HB2 SER A 52 -13.583 2.325 11.780 1.00 62.31 H new ATOM 0 HB3 SER A 52 -14.418 2.636 13.288 1.00 62.31 H new ATOM 0 HG SER A 52 -11.595 2.673 12.804 1.00 21.21 H new ATOM 874 N GLY A 53 -14.619 -0.557 11.540 1.00 33.24 N ATOM 875 CA GLY A 53 -15.747 -1.287 11.005 1.00 21.12 C ATOM 876 C GLY A 53 -16.453 -0.536 9.900 1.00 10.11 C ATOM 877 O GLY A 53 -17.634 -0.765 9.637 1.00 21.11 O ATOM 0 H GLY A 53 -13.807 -0.510 10.925 1.00 33.24 H new ATOM 0 HA2 GLY A 53 -15.405 -2.249 10.624 1.00 21.12 H new ATOM 0 HA3 GLY A 53 -16.454 -1.495 11.808 1.00 21.12 H new ATOM 881 N GLU A 54 -15.739 0.365 9.253 1.00 51.33 N ATOM 882 CA GLU A 54 -16.311 1.130 8.164 1.00 32.51 C ATOM 883 C GLU A 54 -16.131 0.393 6.845 1.00 4.35 C ATOM 884 O GLU A 54 -17.075 -0.194 6.316 1.00 43.50 O ATOM 885 CB GLU A 54 -15.686 2.523 8.085 1.00 12.35 C ATOM 886 CG GLU A 54 -16.017 3.420 9.265 1.00 23.31 C ATOM 887 CD GLU A 54 -15.458 4.816 9.101 1.00 42.34 C ATOM 888 OE1 GLU A 54 -15.806 5.487 8.103 1.00 44.34 O ATOM 889 OE2 GLU A 54 -14.680 5.257 9.965 1.00 21.10 O ATOM 0 H GLU A 54 -14.765 0.584 9.462 1.00 51.33 H new ATOM 0 HA GLU A 54 -17.377 1.247 8.357 1.00 32.51 H new ATOM 0 HB2 GLU A 54 -14.603 2.420 8.013 1.00 12.35 H new ATOM 0 HB3 GLU A 54 -16.021 3.008 7.168 1.00 12.35 H new ATOM 0 HG2 GLU A 54 -17.099 3.476 9.383 1.00 23.31 H new ATOM 0 HG3 GLU A 54 -15.619 2.977 10.178 1.00 23.31 H new ATOM 896 N GLU A 55 -14.913 0.401 6.339 1.00 20.20 N ATOM 897 CA GLU A 55 -14.597 -0.254 5.084 1.00 24.15 C ATOM 898 C GLU A 55 -13.456 -1.236 5.279 1.00 12.12 C ATOM 899 O GLU A 55 -12.581 -1.020 6.120 1.00 15.04 O ATOM 900 CB GLU A 55 -14.207 0.781 4.026 1.00 52.22 C ATOM 901 CG GLU A 55 -15.342 1.694 3.587 1.00 62.13 C ATOM 902 CD GLU A 55 -16.427 0.952 2.840 1.00 12.51 C ATOM 903 OE1 GLU A 55 -16.185 0.550 1.674 1.00 24.24 O ATOM 904 OE2 GLU A 55 -17.529 0.765 3.406 1.00 40.22 O ATOM 0 H GLU A 55 -14.118 0.859 6.784 1.00 20.20 H new ATOM 0 HA GLU A 55 -15.481 -0.793 4.745 1.00 24.15 H new ATOM 0 HB2 GLU A 55 -13.395 1.394 4.418 1.00 52.22 H new ATOM 0 HB3 GLU A 55 -13.819 0.259 3.151 1.00 52.22 H new ATOM 0 HG2 GLU A 55 -15.774 2.178 4.463 1.00 62.13 H new ATOM 0 HG3 GLU A 55 -14.943 2.484 2.951 1.00 62.13 H new ATOM 911 N ASP A 56 -13.470 -2.308 4.514 1.00 1.21 N ATOM 912 CA ASP A 56 -12.415 -3.306 4.579 1.00 5.04 C ATOM 913 C ASP A 56 -11.264 -2.886 3.680 1.00 31.31 C ATOM 914 O ASP A 56 -11.445 -2.054 2.779 1.00 32.21 O ATOM 915 CB ASP A 56 -12.949 -4.683 4.144 1.00 61.35 C ATOM 916 CG ASP A 56 -11.929 -5.801 4.311 1.00 12.45 C ATOM 917 OD1 ASP A 56 -11.089 -5.989 3.411 1.00 33.32 O ATOM 918 OD2 ASP A 56 -11.968 -6.497 5.348 1.00 73.32 O ATOM 0 H ASP A 56 -14.203 -2.514 3.836 1.00 1.21 H new ATOM 0 HA ASP A 56 -12.062 -3.383 5.607 1.00 5.04 H new ATOM 0 HB2 ASP A 56 -13.839 -4.921 4.727 1.00 61.35 H new ATOM 0 HB3 ASP A 56 -13.256 -4.633 3.099 1.00 61.35 H new ATOM 923 N PHE A 57 -10.091 -3.451 3.917 1.00 34.31 N ATOM 924 CA PHE A 57 -8.917 -3.143 3.124 1.00 22.12 C ATOM 925 C PHE A 57 -9.176 -3.425 1.645 1.00 4.24 C ATOM 926 O PHE A 57 -8.777 -2.644 0.781 1.00 14.03 O ATOM 927 CB PHE A 57 -7.712 -3.952 3.610 1.00 72.44 C ATOM 928 CG PHE A 57 -6.444 -3.633 2.872 1.00 54.54 C ATOM 929 CD1 PHE A 57 -5.660 -2.562 3.256 1.00 40.21 C ATOM 930 CD2 PHE A 57 -6.041 -4.398 1.790 1.00 42.11 C ATOM 931 CE1 PHE A 57 -4.501 -2.260 2.577 1.00 13.13 C ATOM 932 CE2 PHE A 57 -4.882 -4.098 1.110 1.00 10.14 C ATOM 933 CZ PHE A 57 -4.112 -3.029 1.503 1.00 21.10 C ATOM 0 H PHE A 57 -9.929 -4.131 4.660 1.00 34.31 H new ATOM 0 HA PHE A 57 -8.697 -2.082 3.243 1.00 22.12 H new ATOM 0 HB2 PHE A 57 -7.562 -3.764 4.673 1.00 72.44 H new ATOM 0 HB3 PHE A 57 -7.929 -5.015 3.502 1.00 72.44 H new ATOM 0 HD1 PHE A 57 -5.960 -1.955 4.098 1.00 40.21 H new ATOM 0 HD2 PHE A 57 -6.642 -5.239 1.476 1.00 42.11 H new ATOM 0 HE1 PHE A 57 -3.897 -1.420 2.887 1.00 13.13 H new ATOM 0 HE2 PHE A 57 -4.578 -4.702 0.268 1.00 10.14 H new ATOM 0 HZ PHE A 57 -3.203 -2.793 0.970 1.00 21.10 H new ATOM 943 N GLU A 58 -9.864 -4.536 1.366 1.00 11.43 N ATOM 944 CA GLU A 58 -10.185 -4.921 -0.008 1.00 12.55 C ATOM 945 C GLU A 58 -10.967 -3.818 -0.721 1.00 4.44 C ATOM 946 O GLU A 58 -10.671 -3.477 -1.861 1.00 25.53 O ATOM 947 CB GLU A 58 -10.980 -6.237 -0.036 1.00 73.21 C ATOM 948 CG GLU A 58 -10.159 -7.464 0.338 1.00 52.23 C ATOM 949 CD GLU A 58 -10.983 -8.742 0.369 1.00 72.42 C ATOM 950 OE1 GLU A 58 -11.212 -9.340 -0.707 1.00 31.35 O ATOM 951 OE2 GLU A 58 -11.399 -9.162 1.470 1.00 40.13 O ATOM 0 H GLU A 58 -10.209 -5.184 2.075 1.00 11.43 H new ATOM 0 HA GLU A 58 -9.244 -5.071 -0.537 1.00 12.55 H new ATOM 0 HB2 GLU A 58 -11.824 -6.154 0.649 1.00 73.21 H new ATOM 0 HB3 GLU A 58 -11.393 -6.379 -1.035 1.00 73.21 H new ATOM 0 HG2 GLU A 58 -9.344 -7.581 -0.376 1.00 52.23 H new ATOM 0 HG3 GLU A 58 -9.705 -7.307 1.317 1.00 52.23 H new ATOM 958 N SER A 59 -11.950 -3.254 -0.035 1.00 1.13 N ATOM 959 CA SER A 59 -12.772 -2.196 -0.606 1.00 2.12 C ATOM 960 C SER A 59 -11.947 -0.925 -0.825 1.00 15.00 C ATOM 961 O SER A 59 -12.021 -0.291 -1.886 1.00 75.13 O ATOM 962 CB SER A 59 -13.968 -1.902 0.309 1.00 75.02 C ATOM 963 OG SER A 59 -14.855 -0.962 -0.280 1.00 22.20 O ATOM 0 H SER A 59 -12.199 -3.512 0.920 1.00 1.13 H new ATOM 0 HA SER A 59 -13.143 -2.534 -1.574 1.00 2.12 H new ATOM 0 HB2 SER A 59 -14.504 -2.828 0.518 1.00 75.02 H new ATOM 0 HB3 SER A 59 -13.611 -1.518 1.264 1.00 75.02 H new ATOM 0 HG SER A 59 -15.305 -0.451 0.425 1.00 22.20 H new ATOM 969 N LEU A 60 -11.148 -0.572 0.169 1.00 51.33 N ATOM 970 CA LEU A 60 -10.330 0.628 0.106 1.00 4.34 C ATOM 971 C LEU A 60 -9.292 0.538 -1.010 1.00 63.25 C ATOM 972 O LEU A 60 -9.172 1.447 -1.834 1.00 11.43 O ATOM 973 CB LEU A 60 -9.645 0.878 1.451 1.00 40.10 C ATOM 974 CG LEU A 60 -10.585 1.122 2.636 1.00 43.44 C ATOM 975 CD1 LEU A 60 -9.797 1.263 3.922 1.00 62.31 C ATOM 976 CD2 LEU A 60 -11.435 2.360 2.398 1.00 41.42 C ATOM 0 H LEU A 60 -11.048 -1.103 1.034 1.00 51.33 H new ATOM 0 HA LEU A 60 -10.988 1.468 -0.117 1.00 4.34 H new ATOM 0 HB2 LEU A 60 -9.013 0.020 1.682 1.00 40.10 H new ATOM 0 HB3 LEU A 60 -8.987 1.741 1.349 1.00 40.10 H new ATOM 0 HG LEU A 60 -11.247 0.261 2.729 1.00 43.44 H new ATOM 0 HD11 LEU A 60 -10.482 1.436 4.752 1.00 62.31 H new ATOM 0 HD12 LEU A 60 -9.230 0.350 4.104 1.00 62.31 H new ATOM 0 HD13 LEU A 60 -9.110 2.105 3.837 1.00 62.31 H new ATOM 0 HD21 LEU A 60 -12.096 2.517 3.250 1.00 41.42 H new ATOM 0 HD22 LEU A 60 -10.787 3.228 2.277 1.00 41.42 H new ATOM 0 HD23 LEU A 60 -12.032 2.224 1.496 1.00 41.42 H new ATOM 988 N ALA A 61 -8.572 -0.571 -1.056 1.00 75.33 N ATOM 989 CA ALA A 61 -7.522 -0.768 -2.052 1.00 44.30 C ATOM 990 C ALA A 61 -8.096 -0.996 -3.448 1.00 51.31 C ATOM 991 O ALA A 61 -7.364 -1.001 -4.434 1.00 61.43 O ATOM 992 CB ALA A 61 -6.623 -1.927 -1.650 1.00 62.21 C ATOM 0 H ALA A 61 -8.694 -1.354 -0.414 1.00 75.33 H new ATOM 0 HA ALA A 61 -6.929 0.146 -2.089 1.00 44.30 H new ATOM 0 HB1 ALA A 61 -5.845 -2.062 -2.402 1.00 62.21 H new ATOM 0 HB2 ALA A 61 -6.162 -1.713 -0.686 1.00 62.21 H new ATOM 0 HB3 ALA A 61 -7.216 -2.838 -1.574 1.00 62.21 H new ATOM 998 N SER A 62 -9.398 -1.180 -3.528 1.00 52.43 N ATOM 999 CA SER A 62 -10.048 -1.413 -4.799 1.00 32.50 C ATOM 1000 C SER A 62 -10.490 -0.102 -5.441 1.00 33.11 C ATOM 1001 O SER A 62 -10.637 -0.014 -6.661 1.00 23.40 O ATOM 1002 CB SER A 62 -11.262 -2.319 -4.609 1.00 15.04 C ATOM 1003 OG SER A 62 -11.669 -2.896 -5.839 1.00 31.12 O ATOM 0 H SER A 62 -10.027 -1.172 -2.725 1.00 52.43 H new ATOM 0 HA SER A 62 -9.328 -1.897 -5.459 1.00 32.50 H new ATOM 0 HB2 SER A 62 -11.022 -3.108 -3.896 1.00 15.04 H new ATOM 0 HB3 SER A 62 -12.085 -1.744 -4.184 1.00 15.04 H new ATOM 0 HG SER A 62 -10.910 -2.915 -6.458 1.00 31.12 H new ATOM 1009 N GLN A 63 -10.701 0.911 -4.620 1.00 42.34 N ATOM 1010 CA GLN A 63 -11.220 2.177 -5.109 1.00 51.33 C ATOM 1011 C GLN A 63 -10.223 3.320 -4.959 1.00 43.24 C ATOM 1012 O GLN A 63 -10.214 4.245 -5.767 1.00 21.12 O ATOM 1013 CB GLN A 63 -12.514 2.520 -4.374 1.00 10.25 C ATOM 1014 CG GLN A 63 -13.647 1.534 -4.631 1.00 21.33 C ATOM 1015 CD GLN A 63 -14.837 1.748 -3.712 1.00 42.32 C ATOM 1016 OE1 GLN A 63 -14.575 2.169 -2.490 1.00 1.55 O flip ATOM 1017 NE2 GLN A 63 -15.985 1.513 -4.098 1.00 24.43 N flip ATOM 0 H GLN A 63 -10.522 0.883 -3.616 1.00 42.34 H new ATOM 0 HA GLN A 63 -11.411 2.057 -6.175 1.00 51.33 H new ATOM 0 HB2 GLN A 63 -12.314 2.558 -3.303 1.00 10.25 H new ATOM 0 HB3 GLN A 63 -12.838 3.517 -4.673 1.00 10.25 H new ATOM 0 HG2 GLN A 63 -13.973 1.625 -5.667 1.00 21.33 H new ATOM 0 HG3 GLN A 63 -13.274 0.518 -4.503 1.00 21.33 H new ATOM 0 HE21 GLN A 63 -16.146 1.189 -5.052 1.00 24.43 H new ATOM 0 HE22 GLN A 63 -16.773 1.643 -3.464 1.00 24.43 H new ATOM 1026 N PHE A 64 -9.383 3.260 -3.938 1.00 23.10 N ATOM 1027 CA PHE A 64 -8.468 4.361 -3.658 1.00 54.12 C ATOM 1028 C PHE A 64 -7.050 4.100 -4.159 1.00 63.23 C ATOM 1029 O PHE A 64 -6.174 4.950 -4.008 1.00 73.11 O ATOM 1030 CB PHE A 64 -8.456 4.681 -2.162 1.00 23.54 C ATOM 1031 CG PHE A 64 -9.807 5.066 -1.624 1.00 21.12 C ATOM 1032 CD1 PHE A 64 -10.333 6.320 -1.874 1.00 2.45 C ATOM 1033 CD2 PHE A 64 -10.552 4.171 -0.879 1.00 11.33 C ATOM 1034 CE1 PHE A 64 -11.575 6.675 -1.388 1.00 72.45 C ATOM 1035 CE2 PHE A 64 -11.795 4.519 -0.391 1.00 11.53 C ATOM 1036 CZ PHE A 64 -12.307 5.772 -0.646 1.00 52.33 C ATOM 0 H PHE A 64 -9.314 2.472 -3.295 1.00 23.10 H new ATOM 0 HA PHE A 64 -8.841 5.224 -4.209 1.00 54.12 H new ATOM 0 HB2 PHE A 64 -8.089 3.813 -1.615 1.00 23.54 H new ATOM 0 HB3 PHE A 64 -7.754 5.494 -1.977 1.00 23.54 H new ATOM 0 HD1 PHE A 64 -9.765 7.030 -2.457 1.00 2.45 H new ATOM 0 HD2 PHE A 64 -10.156 3.187 -0.676 1.00 11.33 H new ATOM 0 HE1 PHE A 64 -11.973 7.659 -1.589 1.00 72.45 H new ATOM 0 HE2 PHE A 64 -12.366 3.810 0.190 1.00 11.53 H new ATOM 0 HZ PHE A 64 -13.280 6.047 -0.266 1.00 52.33 H new ATOM 1046 N SER A 65 -6.824 2.949 -4.757 1.00 63.35 N ATOM 1047 CA SER A 65 -5.503 2.625 -5.267 1.00 72.51 C ATOM 1048 C SER A 65 -5.349 3.017 -6.719 1.00 21.43 C ATOM 1049 O SER A 65 -6.248 2.812 -7.536 1.00 12.13 O ATOM 1050 CB SER A 65 -5.201 1.140 -5.115 1.00 10.31 C ATOM 1051 OG SER A 65 -5.034 0.787 -3.766 1.00 72.42 O ATOM 0 H SER A 65 -7.529 2.226 -4.902 1.00 63.35 H new ATOM 0 HA SER A 65 -4.792 3.200 -4.673 1.00 72.51 H new ATOM 0 HB2 SER A 65 -6.013 0.556 -5.548 1.00 10.31 H new ATOM 0 HB3 SER A 65 -4.298 0.892 -5.672 1.00 10.31 H new ATOM 0 HG SER A 65 -5.446 -0.087 -3.603 1.00 72.42 H new ATOM 1057 N ASP A 66 -4.211 3.594 -7.032 1.00 44.02 N ATOM 1058 CA ASP A 66 -3.879 3.927 -8.402 1.00 34.34 C ATOM 1059 C ASP A 66 -3.256 2.715 -9.084 1.00 60.32 C ATOM 1060 O ASP A 66 -3.153 2.646 -10.310 1.00 53.11 O ATOM 1061 CB ASP A 66 -2.915 5.117 -8.446 1.00 1.31 C ATOM 1062 CG ASP A 66 -2.381 5.384 -9.839 1.00 65.02 C ATOM 1063 OD1 ASP A 66 -3.175 5.736 -10.727 1.00 54.42 O ATOM 1064 OD2 ASP A 66 -1.163 5.247 -10.043 1.00 44.24 O ATOM 0 H ASP A 66 -3.494 3.845 -6.352 1.00 44.02 H new ATOM 0 HA ASP A 66 -4.790 4.207 -8.931 1.00 34.34 H new ATOM 0 HB2 ASP A 66 -3.426 6.007 -8.080 1.00 1.31 H new ATOM 0 HB3 ASP A 66 -2.080 4.929 -7.771 1.00 1.31 H new ATOM 1069 N ASP A 67 -2.876 1.741 -8.272 1.00 14.30 N ATOM 1070 CA ASP A 67 -2.227 0.538 -8.766 1.00 64.33 C ATOM 1071 C ASP A 67 -3.191 -0.306 -9.595 1.00 42.15 C ATOM 1072 O ASP A 67 -4.390 -0.334 -9.329 1.00 71.31 O ATOM 1073 CB ASP A 67 -1.669 -0.279 -7.604 1.00 13.41 C ATOM 1074 CG ASP A 67 -0.937 -1.514 -8.071 1.00 33.32 C ATOM 1075 OD1 ASP A 67 0.220 -1.391 -8.518 1.00 71.55 O ATOM 1076 OD2 ASP A 67 -1.511 -2.607 -7.986 1.00 1.21 O ATOM 0 H ASP A 67 -3.007 1.762 -7.261 1.00 14.30 H new ATOM 0 HA ASP A 67 -1.402 0.840 -9.412 1.00 64.33 H new ATOM 0 HB2 ASP A 67 -0.992 0.342 -7.018 1.00 13.41 H new ATOM 0 HB3 ASP A 67 -2.485 -0.571 -6.943 1.00 13.41 H new ATOM 1081 N SER A 68 -2.651 -0.999 -10.588 1.00 45.15 N ATOM 1082 CA SER A 68 -3.441 -1.826 -11.496 1.00 43.31 C ATOM 1083 C SER A 68 -4.226 -2.921 -10.751 1.00 24.00 C ATOM 1084 O SER A 68 -5.285 -3.352 -11.205 1.00 61.44 O ATOM 1085 CB SER A 68 -2.517 -2.455 -12.530 1.00 53.24 C ATOM 1086 OG SER A 68 -1.682 -1.467 -13.122 1.00 52.31 O ATOM 0 H SER A 68 -1.651 -1.005 -10.789 1.00 45.15 H new ATOM 0 HA SER A 68 -4.174 -1.185 -11.986 1.00 43.31 H new ATOM 0 HB2 SER A 68 -1.903 -3.222 -12.058 1.00 53.24 H new ATOM 0 HB3 SER A 68 -3.108 -2.949 -13.301 1.00 53.24 H new ATOM 0 HG SER A 68 -1.094 -1.889 -13.783 1.00 52.31 H new ATOM 1092 N SER A 69 -3.713 -3.342 -9.602 1.00 44.41 N ATOM 1093 CA SER A 69 -4.345 -4.386 -8.812 1.00 14.51 C ATOM 1094 C SER A 69 -5.651 -3.896 -8.161 1.00 32.11 C ATOM 1095 O SER A 69 -6.417 -4.695 -7.631 1.00 44.31 O ATOM 1096 CB SER A 69 -3.369 -4.916 -7.754 1.00 55.22 C ATOM 1097 OG SER A 69 -3.919 -5.998 -7.031 1.00 72.32 O ATOM 0 H SER A 69 -2.854 -2.972 -9.196 1.00 44.41 H new ATOM 0 HA SER A 69 -4.608 -5.202 -9.485 1.00 14.51 H new ATOM 0 HB2 SER A 69 -2.445 -5.234 -8.238 1.00 55.22 H new ATOM 0 HB3 SER A 69 -3.108 -4.113 -7.065 1.00 55.22 H new ATOM 0 HG SER A 69 -4.893 -5.901 -6.987 1.00 72.32 H new ATOM 1103 N ALA A 70 -5.898 -2.580 -8.209 1.00 45.42 N ATOM 1104 CA ALA A 70 -7.112 -1.988 -7.619 1.00 61.20 C ATOM 1105 C ALA A 70 -8.381 -2.678 -8.126 1.00 3.41 C ATOM 1106 O ALA A 70 -9.357 -2.833 -7.388 1.00 42.41 O ATOM 1107 CB ALA A 70 -7.176 -0.498 -7.915 1.00 71.35 C ATOM 0 H ALA A 70 -5.275 -1.903 -8.650 1.00 45.42 H new ATOM 0 HA ALA A 70 -7.057 -2.137 -6.541 1.00 61.20 H new ATOM 0 HB1 ALA A 70 -8.079 -0.077 -7.472 1.00 71.35 H new ATOM 0 HB2 ALA A 70 -6.301 -0.005 -7.492 1.00 71.35 H new ATOM 0 HB3 ALA A 70 -7.195 -0.342 -8.994 1.00 71.35 H new ATOM 1113 N LYS A 71 -8.353 -3.111 -9.380 1.00 75.22 N ATOM 1114 CA LYS A 71 -9.494 -3.794 -9.986 1.00 32.53 C ATOM 1115 C LYS A 71 -9.722 -5.161 -9.338 1.00 43.32 C ATOM 1116 O LYS A 71 -10.798 -5.736 -9.442 1.00 15.14 O ATOM 1117 CB LYS A 71 -9.283 -3.955 -11.494 1.00 43.24 C ATOM 1118 CG LYS A 71 -8.091 -4.823 -11.868 1.00 1.02 C ATOM 1119 CD LYS A 71 -7.779 -4.776 -13.368 1.00 42.43 C ATOM 1120 CE LYS A 71 -8.915 -5.338 -14.229 1.00 64.00 C ATOM 1121 NZ LYS A 71 -10.009 -4.354 -14.450 1.00 63.33 N ATOM 0 H LYS A 71 -7.551 -3.002 -10.001 1.00 75.22 H new ATOM 0 HA LYS A 71 -10.380 -3.182 -9.817 1.00 32.53 H new ATOM 0 HB2 LYS A 71 -10.183 -4.386 -11.931 1.00 43.24 H new ATOM 0 HB3 LYS A 71 -9.153 -2.968 -11.939 1.00 43.24 H new ATOM 0 HG2 LYS A 71 -7.216 -4.494 -11.308 1.00 1.02 H new ATOM 0 HG3 LYS A 71 -8.289 -5.854 -11.573 1.00 1.02 H new ATOM 0 HD2 LYS A 71 -7.583 -3.745 -13.661 1.00 42.43 H new ATOM 0 HD3 LYS A 71 -6.868 -5.342 -13.563 1.00 42.43 H new ATOM 0 HE2 LYS A 71 -8.514 -5.652 -15.193 1.00 64.00 H new ATOM 0 HE3 LYS A 71 -9.323 -6.227 -13.749 1.00 64.00 H new ATOM 0 HZ1 LYS A 71 -10.845 -4.635 -13.899 1.00 63.33 H new ATOM 0 HZ2 LYS A 71 -9.694 -3.411 -14.145 1.00 63.33 H new ATOM 0 HZ3 LYS A 71 -10.253 -4.328 -15.461 1.00 63.33 H new ATOM 1135 N ALA A 72 -8.699 -5.661 -8.670 1.00 22.01 N ATOM 1136 CA ALA A 72 -8.759 -6.941 -7.992 1.00 71.55 C ATOM 1137 C ALA A 72 -8.712 -6.733 -6.483 1.00 43.52 C ATOM 1138 O ALA A 72 -8.324 -7.630 -5.734 1.00 1.20 O ATOM 1139 CB ALA A 72 -7.607 -7.825 -8.446 1.00 41.32 C ATOM 0 H ALA A 72 -7.800 -5.188 -8.583 1.00 22.01 H new ATOM 0 HA ALA A 72 -9.696 -7.436 -8.245 1.00 71.55 H new ATOM 0 HB1 ALA A 72 -7.660 -8.784 -7.932 1.00 41.32 H new ATOM 0 HB2 ALA A 72 -7.674 -7.986 -9.522 1.00 41.32 H new ATOM 0 HB3 ALA A 72 -6.660 -7.339 -8.210 1.00 41.32 H new ATOM 1145 N ARG A 73 -9.110 -5.529 -6.054 1.00 12.30 N ATOM 1146 CA ARG A 73 -9.152 -5.151 -4.630 1.00 34.23 C ATOM 1147 C ARG A 73 -7.754 -4.987 -4.034 1.00 12.32 C ATOM 1148 O ARG A 73 -7.588 -4.961 -2.818 1.00 23.23 O ATOM 1149 CB ARG A 73 -9.991 -6.145 -3.794 1.00 40.03 C ATOM 1150 CG ARG A 73 -11.508 -5.929 -3.875 1.00 54.40 C ATOM 1151 CD ARG A 73 -12.055 -6.176 -5.274 1.00 3.04 C ATOM 1152 NE ARG A 73 -11.893 -7.570 -5.687 1.00 5.02 N ATOM 1153 CZ ARG A 73 -12.269 -8.054 -6.870 1.00 42.22 C ATOM 1154 NH1 ARG A 73 -12.819 -7.257 -7.775 1.00 22.41 N ATOM 1155 NH2 ARG A 73 -12.092 -9.337 -7.144 1.00 62.44 N ATOM 0 H ARG A 73 -9.413 -4.786 -6.683 1.00 12.30 H new ATOM 0 HA ARG A 73 -9.643 -4.179 -4.586 1.00 34.23 H new ATOM 0 HB2 ARG A 73 -9.764 -7.159 -4.124 1.00 40.03 H new ATOM 0 HB3 ARG A 73 -9.682 -6.073 -2.751 1.00 40.03 H new ATOM 0 HG2 ARG A 73 -12.005 -6.596 -3.170 1.00 54.40 H new ATOM 0 HG3 ARG A 73 -11.744 -4.909 -3.570 1.00 54.40 H new ATOM 0 HD2 ARG A 73 -13.112 -5.910 -5.302 1.00 3.04 H new ATOM 0 HD3 ARG A 73 -11.543 -5.526 -5.984 1.00 3.04 H new ATOM 0 HE ARG A 73 -11.463 -8.215 -5.024 1.00 5.02 H new ATOM 0 HH11 ARG A 73 -12.956 -6.268 -7.567 1.00 22.41 H new ATOM 0 HH12 ARG A 73 -13.105 -7.633 -8.679 1.00 22.41 H new ATOM 0 HH21 ARG A 73 -11.668 -9.953 -6.450 1.00 62.44 H new ATOM 0 HH22 ARG A 73 -12.379 -9.710 -8.049 1.00 62.44 H new ATOM 1169 N GLY A 74 -6.759 -4.857 -4.898 1.00 64.23 N ATOM 1170 CA GLY A 74 -5.395 -4.671 -4.441 1.00 62.12 C ATOM 1171 C GLY A 74 -4.746 -5.968 -4.012 1.00 2.02 C ATOM 1172 O GLY A 74 -3.656 -5.961 -3.426 1.00 4.21 O ATOM 0 H GLY A 74 -6.871 -4.877 -5.912 1.00 64.23 H new ATOM 0 HA2 GLY A 74 -4.806 -4.220 -5.240 1.00 62.12 H new ATOM 0 HA3 GLY A 74 -5.387 -3.971 -3.606 1.00 62.12 H new ATOM 1176 N ASP A 75 -5.404 -7.078 -4.314 1.00 4.51 N ATOM 1177 CA ASP A 75 -4.911 -8.395 -3.937 1.00 13.33 C ATOM 1178 C ASP A 75 -3.785 -8.840 -4.844 1.00 73.25 C ATOM 1179 O ASP A 75 -3.891 -8.771 -6.073 1.00 54.25 O ATOM 1180 CB ASP A 75 -6.036 -9.433 -3.979 1.00 31.32 C ATOM 1181 CG ASP A 75 -5.574 -10.820 -3.550 1.00 55.34 C ATOM 1182 OD1 ASP A 75 -5.654 -11.128 -2.344 1.00 63.31 O ATOM 1183 OD2 ASP A 75 -5.146 -11.618 -4.420 1.00 63.33 O ATOM 0 H ASP A 75 -6.288 -7.092 -4.823 1.00 4.51 H new ATOM 0 HA ASP A 75 -4.533 -8.317 -2.918 1.00 13.33 H new ATOM 0 HB2 ASP A 75 -6.849 -9.108 -3.329 1.00 31.32 H new ATOM 0 HB3 ASP A 75 -6.438 -9.486 -4.991 1.00 31.32 H new ATOM 1188 N LEU A 76 -2.714 -9.290 -4.241 1.00 64.42 N ATOM 1189 CA LEU A 76 -1.584 -9.802 -4.972 1.00 71.30 C ATOM 1190 C LEU A 76 -1.370 -11.254 -4.613 1.00 31.14 C ATOM 1191 O LEU A 76 -2.022 -11.781 -3.708 1.00 60.34 O ATOM 1192 CB LEU A 76 -0.314 -9.005 -4.659 1.00 22.25 C ATOM 1193 CG LEU A 76 -0.327 -7.527 -5.045 1.00 24.13 C ATOM 1194 CD1 LEU A 76 0.978 -6.868 -4.632 1.00 44.41 C ATOM 1195 CD2 LEU A 76 -0.556 -7.363 -6.542 1.00 21.55 C ATOM 0 H LEU A 76 -2.601 -9.312 -3.227 1.00 64.42 H new ATOM 0 HA LEU A 76 -1.793 -9.707 -6.038 1.00 71.30 H new ATOM 0 HB2 LEU A 76 -0.121 -9.077 -3.589 1.00 22.25 H new ATOM 0 HB3 LEU A 76 0.523 -9.483 -5.167 1.00 22.25 H new ATOM 0 HG LEU A 76 -1.148 -7.039 -4.520 1.00 24.13 H new ATOM 0 HD11 LEU A 76 0.958 -5.815 -4.912 1.00 44.41 H new ATOM 0 HD12 LEU A 76 1.104 -6.954 -3.553 1.00 44.41 H new ATOM 0 HD13 LEU A 76 1.810 -7.361 -5.135 1.00 44.41 H new ATOM 0 HD21 LEU A 76 -0.562 -6.303 -6.795 1.00 21.55 H new ATOM 0 HD22 LEU A 76 0.243 -7.863 -7.089 1.00 21.55 H new ATOM 0 HD23 LEU A 76 -1.514 -7.806 -6.814 1.00 21.55 H new ATOM 1207 N GLY A 77 -0.480 -11.895 -5.324 1.00 45.31 N ATOM 1208 CA GLY A 77 -0.158 -13.272 -5.043 1.00 2.41 C ATOM 1209 C GLY A 77 1.095 -13.370 -4.214 1.00 51.11 C ATOM 1210 O GLY A 77 1.570 -12.363 -3.689 1.00 64.04 O ATOM 0 H GLY A 77 0.036 -11.486 -6.103 1.00 45.31 H new ATOM 0 HA2 GLY A 77 -0.987 -13.743 -4.515 1.00 2.41 H new ATOM 0 HA3 GLY A 77 -0.025 -13.817 -5.978 1.00 2.41 H new ATOM 1214 N ALA A 78 1.631 -14.564 -4.079 1.00 63.42 N ATOM 1215 CA ALA A 78 2.853 -14.752 -3.324 1.00 32.32 C ATOM 1216 C ALA A 78 4.043 -14.256 -4.129 1.00 45.24 C ATOM 1217 O ALA A 78 4.412 -14.852 -5.145 1.00 32.31 O ATOM 1218 CB ALA A 78 3.026 -16.214 -2.944 1.00 5.54 C ATOM 0 H ALA A 78 1.242 -15.417 -4.480 1.00 63.42 H new ATOM 0 HA ALA A 78 2.792 -14.171 -2.404 1.00 32.32 H new ATOM 0 HB1 ALA A 78 3.949 -16.336 -2.377 1.00 5.54 H new ATOM 0 HB2 ALA A 78 2.181 -16.534 -2.334 1.00 5.54 H new ATOM 0 HB3 ALA A 78 3.072 -16.822 -3.848 1.00 5.54 H new ATOM 1224 N PHE A 79 4.633 -13.165 -3.685 1.00 43.30 N ATOM 1225 CA PHE A 79 5.755 -12.568 -4.384 1.00 2.33 C ATOM 1226 C PHE A 79 7.019 -12.611 -3.540 1.00 24.23 C ATOM 1227 O PHE A 79 6.962 -12.804 -2.323 1.00 64.53 O ATOM 1228 CB PHE A 79 5.430 -11.119 -4.800 1.00 72.10 C ATOM 1229 CG PHE A 79 5.022 -10.211 -3.662 1.00 1.30 C ATOM 1230 CD1 PHE A 79 5.978 -9.559 -2.896 1.00 4.13 C ATOM 1231 CD2 PHE A 79 3.683 -10.006 -3.367 1.00 63.51 C ATOM 1232 CE1 PHE A 79 5.605 -8.724 -1.859 1.00 24.04 C ATOM 1233 CE2 PHE A 79 3.305 -9.173 -2.330 1.00 74.05 C ATOM 1234 CZ PHE A 79 4.267 -8.532 -1.576 1.00 1.04 C ATOM 0 H PHE A 79 4.353 -12.670 -2.838 1.00 43.30 H new ATOM 0 HA PHE A 79 5.935 -13.155 -5.285 1.00 2.33 H new ATOM 0 HB2 PHE A 79 6.304 -10.692 -5.292 1.00 72.10 H new ATOM 0 HB3 PHE A 79 4.627 -11.138 -5.537 1.00 72.10 H new ATOM 0 HD1 PHE A 79 7.026 -9.706 -3.112 1.00 4.13 H new ATOM 0 HD2 PHE A 79 2.925 -10.503 -3.955 1.00 63.51 H new ATOM 0 HE1 PHE A 79 6.359 -8.222 -1.271 1.00 24.04 H new ATOM 0 HE2 PHE A 79 2.258 -9.024 -2.110 1.00 74.05 H new ATOM 0 HZ PHE A 79 3.974 -7.881 -0.766 1.00 1.04 H new ATOM 1244 N SER A 80 8.148 -12.450 -4.191 1.00 2.32 N ATOM 1245 CA SER A 80 9.424 -12.439 -3.519 1.00 61.24 C ATOM 1246 C SER A 80 9.830 -11.000 -3.211 1.00 12.52 C ATOM 1247 O SER A 80 9.232 -10.056 -3.730 1.00 42.43 O ATOM 1248 CB SER A 80 10.482 -13.130 -4.392 1.00 12.41 C ATOM 1249 OG SER A 80 11.740 -13.203 -3.735 1.00 12.32 O ATOM 0 H SER A 80 8.206 -12.323 -5.201 1.00 2.32 H new ATOM 0 HA SER A 80 9.345 -12.986 -2.580 1.00 61.24 H new ATOM 0 HB2 SER A 80 10.145 -14.135 -4.645 1.00 12.41 H new ATOM 0 HB3 SER A 80 10.592 -12.585 -5.330 1.00 12.41 H new ATOM 0 HG SER A 80 12.388 -13.650 -4.318 1.00 12.32 H new ATOM 1255 N ARG A 81 10.849 -10.842 -2.377 1.00 42.51 N ATOM 1256 CA ARG A 81 11.320 -9.521 -1.965 1.00 32.34 C ATOM 1257 C ARG A 81 11.855 -8.703 -3.146 1.00 53.44 C ATOM 1258 O ARG A 81 11.777 -7.474 -3.147 1.00 73.52 O ATOM 1259 CB ARG A 81 12.401 -9.651 -0.883 1.00 62.30 C ATOM 1260 CG ARG A 81 13.619 -10.451 -1.303 1.00 54.14 C ATOM 1261 CD ARG A 81 14.718 -10.371 -0.257 1.00 5.42 C ATOM 1262 NE ARG A 81 15.884 -11.170 -0.629 1.00 54.50 N ATOM 1263 CZ ARG A 81 17.135 -10.909 -0.242 1.00 74.31 C ATOM 1264 NH1 ARG A 81 17.395 -9.850 0.516 1.00 52.05 N ATOM 1265 NH2 ARG A 81 18.125 -11.705 -0.621 1.00 74.54 N ATOM 0 H ARG A 81 11.371 -11.617 -1.968 1.00 42.51 H new ATOM 0 HA ARG A 81 10.462 -8.987 -1.557 1.00 32.34 H new ATOM 0 HB2 ARG A 81 12.722 -8.652 -0.587 1.00 62.30 H new ATOM 0 HB3 ARG A 81 11.961 -10.119 -0.002 1.00 62.30 H new ATOM 0 HG2 ARG A 81 13.337 -11.492 -1.459 1.00 54.14 H new ATOM 0 HG3 ARG A 81 13.993 -10.076 -2.256 1.00 54.14 H new ATOM 0 HD2 ARG A 81 15.018 -9.331 -0.124 1.00 5.42 H new ATOM 0 HD3 ARG A 81 14.332 -10.717 0.702 1.00 5.42 H new ATOM 0 HE ARG A 81 15.732 -11.983 -1.225 1.00 54.50 H new ATOM 0 HH11 ARG A 81 16.637 -9.232 0.805 1.00 52.05 H new ATOM 0 HH12 ARG A 81 18.352 -9.655 0.809 1.00 52.05 H new ATOM 0 HH21 ARG A 81 17.931 -12.516 -1.208 1.00 74.54 H new ATOM 0 HH22 ARG A 81 19.081 -11.506 -0.326 1.00 74.54 H new ATOM 1279 N GLY A 82 12.377 -9.389 -4.151 1.00 2.13 N ATOM 1280 CA GLY A 82 12.955 -8.711 -5.293 1.00 1.04 C ATOM 1281 C GLY A 82 11.925 -8.237 -6.297 1.00 22.24 C ATOM 1282 O GLY A 82 11.924 -8.683 -7.443 1.00 21.41 O ATOM 0 H GLY A 82 12.411 -10.407 -4.196 1.00 2.13 H new ATOM 0 HA2 GLY A 82 13.532 -7.855 -4.944 1.00 1.04 H new ATOM 0 HA3 GLY A 82 13.653 -9.384 -5.790 1.00 1.04 H new ATOM 1286 N GLN A 83 11.049 -7.340 -5.873 1.00 72.23 N ATOM 1287 CA GLN A 83 10.040 -6.765 -6.760 1.00 1.11 C ATOM 1288 C GLN A 83 9.794 -5.294 -6.439 1.00 15.12 C ATOM 1289 O GLN A 83 10.133 -4.410 -7.232 1.00 75.02 O ATOM 1290 CB GLN A 83 8.714 -7.537 -6.698 1.00 63.41 C ATOM 1291 CG GLN A 83 8.726 -8.872 -7.425 1.00 5.31 C ATOM 1292 CD GLN A 83 7.337 -9.467 -7.566 1.00 44.24 C ATOM 1293 OE1 GLN A 83 6.339 -8.744 -7.642 1.00 53.54 O ATOM 1294 NE2 GLN A 83 7.260 -10.782 -7.609 1.00 0.42 N ATOM 0 H GLN A 83 11.013 -6.990 -4.915 1.00 72.23 H new ATOM 0 HA GLN A 83 10.435 -6.845 -7.773 1.00 1.11 H new ATOM 0 HB2 GLN A 83 8.457 -7.709 -5.653 1.00 63.41 H new ATOM 0 HB3 GLN A 83 7.926 -6.914 -7.121 1.00 63.41 H new ATOM 0 HG2 GLN A 83 9.164 -8.740 -8.414 1.00 5.31 H new ATOM 0 HG3 GLN A 83 9.365 -9.571 -6.885 1.00 5.31 H new ATOM 0 HE21 GLN A 83 8.108 -11.345 -7.543 1.00 0.42 H new ATOM 0 HE22 GLN A 83 6.352 -11.237 -7.708 1.00 0.42 H new ATOM 1303 N MET A 84 9.216 -5.033 -5.275 1.00 44.41 N ATOM 1304 CA MET A 84 8.880 -3.671 -4.876 1.00 70.53 C ATOM 1305 C MET A 84 10.038 -3.006 -4.144 1.00 44.22 C ATOM 1306 O MET A 84 11.138 -3.554 -4.067 1.00 10.43 O ATOM 1307 CB MET A 84 7.631 -3.649 -3.981 1.00 65.23 C ATOM 1308 CG MET A 84 6.403 -4.323 -4.577 1.00 40.13 C ATOM 1309 SD MET A 84 6.487 -6.121 -4.499 1.00 1.03 S ATOM 1310 CE MET A 84 4.897 -6.564 -5.189 1.00 34.11 C ATOM 0 H MET A 84 8.969 -5.746 -4.589 1.00 44.41 H new ATOM 0 HA MET A 84 8.674 -3.113 -5.789 1.00 70.53 H new ATOM 0 HB2 MET A 84 7.871 -4.135 -3.035 1.00 65.23 H new ATOM 0 HB3 MET A 84 7.384 -2.612 -3.753 1.00 65.23 H new ATOM 0 HG2 MET A 84 5.514 -3.982 -4.047 1.00 40.13 H new ATOM 0 HG3 MET A 84 6.293 -4.014 -5.616 1.00 40.13 H new ATOM 0 HE1 MET A 84 4.798 -7.649 -5.208 1.00 34.11 H new ATOM 0 HE2 MET A 84 4.103 -6.138 -4.576 1.00 34.11 H new ATOM 0 HE3 MET A 84 4.820 -6.175 -6.204 1.00 34.11 H new ATOM 1320 N GLN A 85 9.775 -1.821 -3.606 1.00 21.11 N ATOM 1321 CA GLN A 85 10.771 -1.059 -2.867 1.00 74.11 C ATOM 1322 C GLN A 85 11.060 -1.693 -1.513 1.00 11.41 C ATOM 1323 O GLN A 85 10.264 -2.485 -1.008 1.00 42.31 O ATOM 1324 CB GLN A 85 10.303 0.381 -2.685 1.00 32.23 C ATOM 1325 CG GLN A 85 10.281 1.178 -3.972 1.00 22.34 C ATOM 1326 CD GLN A 85 11.661 1.316 -4.574 1.00 61.41 C ATOM 1327 OE1 GLN A 85 12.088 0.495 -5.385 1.00 70.15 O ATOM 1328 NE2 GLN A 85 12.373 2.341 -4.168 1.00 20.13 N ATOM 0 H GLN A 85 8.866 -1.363 -3.670 1.00 21.11 H new ATOM 0 HA GLN A 85 11.695 -1.064 -3.445 1.00 74.11 H new ATOM 0 HB2 GLN A 85 9.302 0.377 -2.253 1.00 32.23 H new ATOM 0 HB3 GLN A 85 10.957 0.879 -1.970 1.00 32.23 H new ATOM 0 HG2 GLN A 85 9.619 0.692 -4.689 1.00 22.34 H new ATOM 0 HG3 GLN A 85 9.869 2.168 -3.779 1.00 22.34 H new ATOM 0 HE21 GLN A 85 11.982 2.999 -3.494 1.00 20.13 H new ATOM 0 HE22 GLN A 85 13.318 2.480 -4.526 1.00 20.13 H new ATOM 1337 N LYS A 86 12.187 -1.317 -0.924 1.00 34.30 N ATOM 1338 CA LYS A 86 12.629 -1.876 0.355 1.00 20.22 C ATOM 1339 C LYS A 86 11.619 -1.687 1.502 1.00 31.51 C ATOM 1340 O LYS A 86 11.343 -2.649 2.222 1.00 3.42 O ATOM 1341 CB LYS A 86 14.019 -1.356 0.738 1.00 50.20 C ATOM 1342 CG LYS A 86 15.127 -1.899 -0.147 1.00 13.04 C ATOM 1343 CD LYS A 86 15.233 -3.408 -0.017 1.00 70.31 C ATOM 1344 CE LYS A 86 16.174 -3.995 -1.041 1.00 25.21 C ATOM 1345 NZ LYS A 86 16.226 -5.472 -0.941 1.00 23.11 N ATOM 0 H LYS A 86 12.821 -0.619 -1.314 1.00 34.30 H new ATOM 0 HA LYS A 86 12.694 -2.953 0.200 1.00 20.22 H new ATOM 0 HB2 LYS A 86 14.020 -0.267 0.683 1.00 50.20 H new ATOM 0 HB3 LYS A 86 14.227 -1.623 1.774 1.00 50.20 H new ATOM 0 HG2 LYS A 86 14.932 -1.632 -1.186 1.00 13.04 H new ATOM 0 HG3 LYS A 86 16.076 -1.439 0.128 1.00 13.04 H new ATOM 0 HD2 LYS A 86 15.581 -3.663 0.984 1.00 70.31 H new ATOM 0 HD3 LYS A 86 14.245 -3.853 -0.134 1.00 70.31 H new ATOM 0 HE2 LYS A 86 15.851 -3.707 -2.042 1.00 25.21 H new ATOM 0 HE3 LYS A 86 17.173 -3.583 -0.898 1.00 25.21 H new ATOM 0 HZ1 LYS A 86 16.919 -5.842 -1.623 1.00 23.11 H new ATOM 0 HZ2 LYS A 86 16.508 -5.745 0.022 1.00 23.11 H new ATOM 0 HZ3 LYS A 86 15.288 -5.867 -1.152 1.00 23.11 H new ATOM 1359 N PRO A 87 11.059 -0.461 1.714 1.00 72.53 N ATOM 1360 CA PRO A 87 10.051 -0.241 2.765 1.00 11.10 C ATOM 1361 C PRO A 87 8.864 -1.193 2.612 1.00 42.43 C ATOM 1362 O PRO A 87 8.358 -1.743 3.592 1.00 74.44 O ATOM 1363 CB PRO A 87 9.603 1.205 2.533 1.00 33.00 C ATOM 1364 CG PRO A 87 10.758 1.852 1.857 1.00 61.33 C ATOM 1365 CD PRO A 87 11.380 0.792 0.997 1.00 51.24 C ATOM 0 HA PRO A 87 10.449 -0.419 3.764 1.00 11.10 H new ATOM 0 HB2 PRO A 87 8.707 1.248 1.914 1.00 33.00 H new ATOM 0 HB3 PRO A 87 9.365 1.702 3.473 1.00 33.00 H new ATOM 0 HG2 PRO A 87 10.433 2.701 1.256 1.00 61.33 H new ATOM 0 HG3 PRO A 87 11.473 2.233 2.586 1.00 61.33 H new ATOM 0 HD2 PRO A 87 10.964 0.797 -0.011 1.00 51.24 H new ATOM 0 HD3 PRO A 87 12.456 0.934 0.898 1.00 51.24 H new ATOM 1373 N PHE A 88 8.444 -1.393 1.369 1.00 12.32 N ATOM 1374 CA PHE A 88 7.338 -2.287 1.053 1.00 13.24 C ATOM 1375 C PHE A 88 7.760 -3.732 1.320 1.00 3.43 C ATOM 1376 O PHE A 88 7.027 -4.508 1.938 1.00 3.41 O ATOM 1377 CB PHE A 88 6.945 -2.110 -0.426 1.00 42.44 C ATOM 1378 CG PHE A 88 5.679 -2.818 -0.838 1.00 30.33 C ATOM 1379 CD1 PHE A 88 5.668 -4.188 -1.062 1.00 40.13 C ATOM 1380 CD2 PHE A 88 4.503 -2.108 -1.012 1.00 70.20 C ATOM 1381 CE1 PHE A 88 4.510 -4.832 -1.447 1.00 42.11 C ATOM 1382 CE2 PHE A 88 3.342 -2.748 -1.400 1.00 43.21 C ATOM 1383 CZ PHE A 88 3.347 -4.113 -1.617 1.00 43.22 C ATOM 0 H PHE A 88 8.859 -0.941 0.554 1.00 12.32 H new ATOM 0 HA PHE A 88 6.478 -2.048 1.679 1.00 13.24 H new ATOM 0 HB2 PHE A 88 6.831 -1.046 -0.631 1.00 42.44 H new ATOM 0 HB3 PHE A 88 7.764 -2.469 -1.049 1.00 42.44 H new ATOM 0 HD1 PHE A 88 6.577 -4.757 -0.933 1.00 40.13 H new ATOM 0 HD2 PHE A 88 4.493 -1.041 -0.842 1.00 70.20 H new ATOM 0 HE1 PHE A 88 4.515 -5.899 -1.615 1.00 42.11 H new ATOM 0 HE2 PHE A 88 2.432 -2.183 -1.534 1.00 43.21 H new ATOM 0 HZ PHE A 88 2.440 -4.616 -1.920 1.00 43.22 H new ATOM 1393 N GLU A 89 8.952 -4.064 0.850 1.00 74.34 N ATOM 1394 CA GLU A 89 9.544 -5.388 1.008 1.00 23.24 C ATOM 1395 C GLU A 89 9.588 -5.804 2.482 1.00 63.25 C ATOM 1396 O GLU A 89 9.034 -6.838 2.869 1.00 64.10 O ATOM 1397 CB GLU A 89 10.967 -5.361 0.442 1.00 52.44 C ATOM 1398 CG GLU A 89 11.724 -6.662 0.581 1.00 3.23 C ATOM 1399 CD GLU A 89 13.214 -6.488 0.363 1.00 74.24 C ATOM 1400 OE1 GLU A 89 13.663 -6.482 -0.799 1.00 54.41 O ATOM 1401 OE2 GLU A 89 13.946 -6.348 1.362 1.00 10.11 O ATOM 0 H GLU A 89 9.547 -3.412 0.339 1.00 74.34 H new ATOM 0 HA GLU A 89 8.932 -6.113 0.471 1.00 23.24 H new ATOM 0 HB2 GLU A 89 10.919 -5.095 -0.614 1.00 52.44 H new ATOM 0 HB3 GLU A 89 11.529 -4.573 0.944 1.00 52.44 H new ATOM 0 HG2 GLU A 89 11.551 -7.076 1.574 1.00 3.23 H new ATOM 0 HG3 GLU A 89 11.336 -7.384 -0.138 1.00 3.23 H new ATOM 1408 N ASP A 90 10.233 -4.975 3.293 1.00 54.33 N ATOM 1409 CA ASP A 90 10.415 -5.252 4.718 1.00 15.54 C ATOM 1410 C ASP A 90 9.080 -5.409 5.426 1.00 23.43 C ATOM 1411 O ASP A 90 8.898 -6.318 6.232 1.00 42.21 O ATOM 1412 CB ASP A 90 11.223 -4.128 5.369 1.00 72.43 C ATOM 1413 CG ASP A 90 11.543 -4.391 6.827 1.00 0.32 C ATOM 1414 OD1 ASP A 90 12.473 -5.182 7.104 1.00 31.04 O ATOM 1415 OD2 ASP A 90 10.898 -3.783 7.702 1.00 45.11 O ATOM 0 H ASP A 90 10.645 -4.094 2.986 1.00 54.33 H new ATOM 0 HA ASP A 90 10.959 -6.192 4.812 1.00 15.54 H new ATOM 0 HB2 ASP A 90 12.154 -3.992 4.818 1.00 72.43 H new ATOM 0 HB3 ASP A 90 10.666 -3.195 5.288 1.00 72.43 H new ATOM 1420 N ALA A 91 8.142 -4.534 5.102 1.00 3.23 N ATOM 1421 CA ALA A 91 6.827 -4.555 5.721 1.00 53.32 C ATOM 1422 C ALA A 91 6.063 -5.833 5.383 1.00 21.14 C ATOM 1423 O ALA A 91 5.457 -6.444 6.257 1.00 41.11 O ATOM 1424 CB ALA A 91 6.030 -3.332 5.303 1.00 50.34 C ATOM 0 H ALA A 91 8.268 -3.796 4.409 1.00 3.23 H new ATOM 0 HA ALA A 91 6.968 -4.535 6.802 1.00 53.32 H new ATOM 0 HB1 ALA A 91 5.047 -3.360 5.773 1.00 50.34 H new ATOM 0 HB2 ALA A 91 6.556 -2.430 5.616 1.00 50.34 H new ATOM 0 HB3 ALA A 91 5.913 -3.327 4.219 1.00 50.34 H new ATOM 1430 N SER A 92 6.117 -6.241 4.122 1.00 75.41 N ATOM 1431 CA SER A 92 5.400 -7.432 3.662 1.00 4.03 C ATOM 1432 C SER A 92 5.881 -8.698 4.385 1.00 12.25 C ATOM 1433 O SER A 92 5.078 -9.567 4.749 1.00 71.34 O ATOM 1434 CB SER A 92 5.558 -7.589 2.149 1.00 55.34 C ATOM 1435 OG SER A 92 5.120 -6.422 1.472 1.00 14.15 O ATOM 0 H SER A 92 6.651 -5.766 3.394 1.00 75.41 H new ATOM 0 HA SER A 92 4.345 -7.299 3.900 1.00 4.03 H new ATOM 0 HB2 SER A 92 6.602 -7.785 1.907 1.00 55.34 H new ATOM 0 HB3 SER A 92 4.984 -8.450 1.807 1.00 55.34 H new ATOM 0 HG SER A 92 5.793 -5.716 1.568 1.00 14.15 H new ATOM 1441 N PHE A 93 7.185 -8.796 4.600 1.00 73.32 N ATOM 1442 CA PHE A 93 7.756 -9.950 5.282 1.00 54.53 C ATOM 1443 C PHE A 93 7.570 -9.855 6.790 1.00 32.20 C ATOM 1444 O PHE A 93 7.459 -10.870 7.470 1.00 15.40 O ATOM 1445 CB PHE A 93 9.238 -10.114 4.934 1.00 64.23 C ATOM 1446 CG PHE A 93 9.475 -10.700 3.570 1.00 32.53 C ATOM 1447 CD1 PHE A 93 9.389 -9.913 2.435 1.00 44.41 C ATOM 1448 CD2 PHE A 93 9.783 -12.044 3.426 1.00 65.12 C ATOM 1449 CE1 PHE A 93 9.603 -10.453 1.183 1.00 75.33 C ATOM 1450 CE2 PHE A 93 9.999 -12.590 2.175 1.00 72.24 C ATOM 1451 CZ PHE A 93 9.908 -11.793 1.053 1.00 73.22 C ATOM 0 H PHE A 93 7.866 -8.093 4.313 1.00 73.32 H new ATOM 0 HA PHE A 93 7.220 -10.833 4.933 1.00 54.53 H new ATOM 0 HB2 PHE A 93 9.726 -9.141 4.992 1.00 64.23 H new ATOM 0 HB3 PHE A 93 9.710 -10.752 5.681 1.00 64.23 H new ATOM 0 HD1 PHE A 93 9.152 -8.864 2.530 1.00 44.41 H new ATOM 0 HD2 PHE A 93 9.855 -12.672 4.302 1.00 65.12 H new ATOM 0 HE1 PHE A 93 9.532 -9.827 0.305 1.00 75.33 H new ATOM 0 HE2 PHE A 93 10.239 -13.638 2.076 1.00 72.24 H new ATOM 0 HZ PHE A 93 10.075 -12.217 0.074 1.00 73.22 H new ATOM 1461 N ALA A 94 7.517 -8.634 7.304 1.00 2.02 N ATOM 1462 CA ALA A 94 7.348 -8.406 8.738 1.00 43.45 C ATOM 1463 C ALA A 94 5.961 -8.828 9.211 1.00 62.31 C ATOM 1464 O ALA A 94 5.755 -9.106 10.395 1.00 41.44 O ATOM 1465 CB ALA A 94 7.594 -6.945 9.074 1.00 61.23 C ATOM 0 H ALA A 94 7.589 -7.781 6.749 1.00 2.02 H new ATOM 0 HA ALA A 94 8.082 -9.020 9.260 1.00 43.45 H new ATOM 0 HB1 ALA A 94 7.464 -6.791 10.145 1.00 61.23 H new ATOM 0 HB2 ALA A 94 8.610 -6.672 8.789 1.00 61.23 H new ATOM 0 HB3 ALA A 94 6.884 -6.322 8.530 1.00 61.23 H new ATOM 1471 N LEU A 95 5.017 -8.871 8.289 1.00 1.14 N ATOM 1472 CA LEU A 95 3.654 -9.255 8.609 1.00 21.41 C ATOM 1473 C LEU A 95 3.540 -10.767 8.758 1.00 63.31 C ATOM 1474 O LEU A 95 3.769 -11.508 7.812 1.00 40.41 O ATOM 1475 CB LEU A 95 2.694 -8.756 7.533 1.00 63.32 C ATOM 1476 CG LEU A 95 2.725 -7.253 7.267 1.00 74.31 C ATOM 1477 CD1 LEU A 95 1.735 -6.880 6.179 1.00 41.02 C ATOM 1478 CD2 LEU A 95 2.442 -6.478 8.543 1.00 12.52 C ATOM 0 H LEU A 95 5.170 -8.643 7.307 1.00 1.14 H new ATOM 0 HA LEU A 95 3.384 -8.795 9.560 1.00 21.41 H new ATOM 0 HB2 LEU A 95 2.918 -9.276 6.602 1.00 63.32 H new ATOM 0 HB3 LEU A 95 1.680 -9.036 7.818 1.00 63.32 H new ATOM 0 HG LEU A 95 3.724 -6.987 6.922 1.00 74.31 H new ATOM 0 HD11 LEU A 95 1.773 -5.805 6.005 1.00 41.02 H new ATOM 0 HD12 LEU A 95 1.990 -7.406 5.259 1.00 41.02 H new ATOM 0 HD13 LEU A 95 0.729 -7.162 6.490 1.00 41.02 H new ATOM 0 HD21 LEU A 95 2.469 -5.409 8.333 1.00 12.52 H new ATOM 0 HD22 LEU A 95 1.457 -6.749 8.922 1.00 12.52 H new ATOM 0 HD23 LEU A 95 3.198 -6.720 9.291 1.00 12.52 H new ATOM 1490 N ARG A 96 3.189 -11.207 9.956 1.00 71.30 N ATOM 1491 CA ARG A 96 3.064 -12.634 10.268 1.00 51.32 C ATOM 1492 C ARG A 96 1.898 -13.314 9.509 1.00 3.01 C ATOM 1493 O ARG A 96 2.123 -14.065 8.558 1.00 43.31 O ATOM 1494 CB ARG A 96 2.938 -12.833 11.796 1.00 51.25 C ATOM 1495 CG ARG A 96 1.967 -11.867 12.472 1.00 40.02 C ATOM 1496 CD ARG A 96 2.069 -11.924 13.983 1.00 33.30 C ATOM 1497 NE ARG A 96 1.227 -10.905 14.610 1.00 22.13 N ATOM 1498 CZ ARG A 96 0.731 -10.984 15.839 1.00 25.43 C ATOM 1499 NH1 ARG A 96 0.998 -12.035 16.606 1.00 54.02 N ATOM 1500 NH2 ARG A 96 -0.035 -10.003 16.297 1.00 1.04 N ATOM 0 H ARG A 96 2.982 -10.592 10.743 1.00 71.30 H new ATOM 0 HA ARG A 96 3.973 -13.126 9.922 1.00 51.32 H new ATOM 0 HB2 ARG A 96 2.614 -13.855 11.993 1.00 51.25 H new ATOM 0 HB3 ARG A 96 3.923 -12.718 12.249 1.00 51.25 H new ATOM 0 HG2 ARG A 96 2.171 -10.851 12.133 1.00 40.02 H new ATOM 0 HG3 ARG A 96 0.948 -12.106 12.168 1.00 40.02 H new ATOM 0 HD2 ARG A 96 1.770 -12.912 14.333 1.00 33.30 H new ATOM 0 HD3 ARG A 96 3.106 -11.779 14.286 1.00 33.30 H new ATOM 0 HE ARG A 96 1.005 -10.073 14.063 1.00 22.13 H new ATOM 0 HH11 ARG A 96 1.588 -12.788 16.252 1.00 54.02 H new ATOM 0 HH12 ARG A 96 0.613 -12.089 17.549 1.00 54.02 H new ATOM 0 HH21 ARG A 96 -0.239 -9.197 15.706 1.00 1.04 H new ATOM 0 HH22 ARG A 96 -0.421 -10.055 17.240 1.00 1.04 H new ATOM 1514 N THR A 97 0.671 -13.045 9.930 1.00 71.20 N ATOM 1515 CA THR A 97 -0.518 -13.634 9.325 1.00 5.51 C ATOM 1516 C THR A 97 -1.723 -12.753 9.617 1.00 52.04 C ATOM 1517 O THR A 97 -2.035 -12.495 10.779 1.00 3.41 O ATOM 1518 CB THR A 97 -0.777 -15.067 9.873 1.00 13.21 C ATOM 1519 OG1 THR A 97 0.306 -15.932 9.499 1.00 25.42 O ATOM 1520 CG2 THR A 97 -2.088 -15.638 9.340 1.00 14.14 C ATOM 0 H THR A 97 0.470 -12.411 10.703 1.00 71.20 H new ATOM 0 HA THR A 97 -0.357 -13.704 8.249 1.00 5.51 H new ATOM 0 HB THR A 97 -0.847 -15.004 10.959 1.00 13.21 H new ATOM 0 HG1 THR A 97 0.980 -15.418 9.007 1.00 25.42 H new ATOM 0 HG21 THR A 97 -2.239 -16.640 9.742 1.00 14.14 H new ATOM 0 HG22 THR A 97 -2.915 -14.997 9.645 1.00 14.14 H new ATOM 0 HG23 THR A 97 -2.048 -15.686 8.252 1.00 14.14 H new ATOM 1528 N GLY A 98 -2.385 -12.279 8.564 1.00 21.44 N ATOM 1529 CA GLY A 98 -3.526 -11.395 8.740 1.00 40.11 C ATOM 1530 C GLY A 98 -3.142 -10.130 9.471 1.00 73.33 C ATOM 1531 O GLY A 98 -3.926 -9.576 10.237 1.00 73.11 O ATOM 0 H GLY A 98 -2.152 -12.491 7.594 1.00 21.44 H new ATOM 0 HA2 GLY A 98 -3.943 -11.140 7.766 1.00 40.11 H new ATOM 0 HA3 GLY A 98 -4.307 -11.914 9.296 1.00 40.11 H new ATOM 1535 N GLU A 99 -1.926 -9.682 9.239 1.00 63.12 N ATOM 1536 CA GLU A 99 -1.410 -8.505 9.891 1.00 71.05 C ATOM 1537 C GLU A 99 -1.332 -7.360 8.892 1.00 11.33 C ATOM 1538 O GLU A 99 -1.102 -7.585 7.701 1.00 41.53 O ATOM 1539 CB GLU A 99 -0.019 -8.801 10.467 1.00 40.54 C ATOM 1540 CG GLU A 99 0.449 -7.801 11.509 1.00 23.32 C ATOM 1541 CD GLU A 99 -0.332 -7.906 12.800 1.00 63.31 C ATOM 1542 OE1 GLU A 99 -1.502 -7.458 12.835 1.00 13.22 O ATOM 1543 OE2 GLU A 99 0.215 -8.447 13.787 1.00 53.04 O ATOM 0 H GLU A 99 -1.272 -10.125 8.594 1.00 63.12 H new ATOM 0 HA GLU A 99 -2.076 -8.220 10.705 1.00 71.05 H new ATOM 0 HB2 GLU A 99 -0.027 -9.796 10.912 1.00 40.54 H new ATOM 0 HB3 GLU A 99 0.703 -8.823 9.651 1.00 40.54 H new ATOM 0 HG2 GLU A 99 1.507 -7.962 11.714 1.00 23.32 H new ATOM 0 HG3 GLU A 99 0.352 -6.792 11.110 1.00 23.32 H new ATOM 1550 N MET A 100 -1.541 -6.149 9.365 1.00 72.01 N ATOM 1551 CA MET A 100 -1.475 -4.975 8.514 1.00 2.52 C ATOM 1552 C MET A 100 -0.269 -4.123 8.894 1.00 51.21 C ATOM 1553 O MET A 100 -0.039 -3.852 10.076 1.00 5.51 O ATOM 1554 CB MET A 100 -2.769 -4.165 8.624 1.00 1.24 C ATOM 1555 CG MET A 100 -2.803 -2.922 7.749 1.00 63.31 C ATOM 1556 SD MET A 100 -4.393 -2.073 7.807 1.00 15.02 S ATOM 1557 CE MET A 100 -4.531 -1.716 9.557 1.00 43.34 C ATOM 0 H MET A 100 -1.760 -5.949 10.341 1.00 72.01 H new ATOM 0 HA MET A 100 -1.361 -5.294 7.478 1.00 2.52 H new ATOM 0 HB2 MET A 100 -3.609 -4.806 8.358 1.00 1.24 H new ATOM 0 HB3 MET A 100 -2.911 -3.868 9.663 1.00 1.24 H new ATOM 0 HG2 MET A 100 -2.018 -2.236 8.068 1.00 63.31 H new ATOM 0 HG3 MET A 100 -2.583 -3.202 6.719 1.00 63.31 H new ATOM 0 HE1 MET A 100 -5.381 -1.056 9.728 1.00 43.34 H new ATOM 0 HE2 MET A 100 -4.677 -2.645 10.108 1.00 43.34 H new ATOM 0 HE3 MET A 100 -3.619 -1.229 9.902 1.00 43.34 H new ATOM 1567 N SER A 101 0.498 -3.711 7.894 1.00 2.44 N ATOM 1568 CA SER A 101 1.713 -2.936 8.118 1.00 33.44 C ATOM 1569 C SER A 101 1.398 -1.516 8.566 1.00 22.23 C ATOM 1570 O SER A 101 2.049 -0.973 9.462 1.00 44.22 O ATOM 1571 CB SER A 101 2.551 -2.908 6.842 1.00 20.10 C ATOM 1572 OG SER A 101 1.803 -2.377 5.757 1.00 12.13 O ATOM 0 H SER A 101 0.299 -3.902 6.912 1.00 2.44 H new ATOM 0 HA SER A 101 2.277 -3.418 8.916 1.00 33.44 H new ATOM 0 HB2 SER A 101 3.445 -2.305 7.002 1.00 20.10 H new ATOM 0 HB3 SER A 101 2.886 -3.917 6.599 1.00 20.10 H new ATOM 0 HG SER A 101 1.753 -1.402 5.840 1.00 12.13 H new ATOM 1578 N GLY A 102 0.408 -0.920 7.941 1.00 32.00 N ATOM 1579 CA GLY A 102 0.045 0.431 8.264 1.00 30.14 C ATOM 1580 C GLY A 102 0.535 1.402 7.214 1.00 63.30 C ATOM 1581 O GLY A 102 0.465 1.105 6.020 1.00 44.10 O ATOM 0 H GLY A 102 -0.156 -1.352 7.209 1.00 32.00 H new ATOM 0 HA2 GLY A 102 -1.039 0.506 8.353 1.00 30.14 H new ATOM 0 HA3 GLY A 102 0.464 0.700 9.234 1.00 30.14 H new ATOM 1585 N PRO A 103 1.060 2.561 7.623 1.00 60.21 N ATOM 1586 CA PRO A 103 1.531 3.574 6.697 1.00 11.43 C ATOM 1587 C PRO A 103 2.958 3.317 6.208 1.00 51.52 C ATOM 1588 O PRO A 103 3.934 3.641 6.890 1.00 12.50 O ATOM 1589 CB PRO A 103 1.464 4.858 7.524 1.00 1.20 C ATOM 1590 CG PRO A 103 1.678 4.419 8.940 1.00 51.30 C ATOM 1591 CD PRO A 103 1.238 2.973 9.030 1.00 43.52 C ATOM 0 HA PRO A 103 0.933 3.602 5.786 1.00 11.43 H new ATOM 0 HB2 PRO A 103 2.229 5.569 7.211 1.00 1.20 H new ATOM 0 HB3 PRO A 103 0.500 5.354 7.406 1.00 1.20 H new ATOM 0 HG2 PRO A 103 2.726 4.521 9.220 1.00 51.30 H new ATOM 0 HG3 PRO A 103 1.103 5.040 9.627 1.00 51.30 H new ATOM 0 HD2 PRO A 103 1.986 2.360 9.533 1.00 43.52 H new ATOM 0 HD3 PRO A 103 0.311 2.873 9.595 1.00 43.52 H new ATOM 1599 N VAL A 104 3.075 2.711 5.044 1.00 42.21 N ATOM 1600 CA VAL A 104 4.371 2.452 4.451 1.00 24.24 C ATOM 1601 C VAL A 104 4.711 3.558 3.468 1.00 22.43 C ATOM 1602 O VAL A 104 4.154 3.620 2.366 1.00 23.55 O ATOM 1603 CB VAL A 104 4.411 1.088 3.721 1.00 55.23 C ATOM 1604 CG1 VAL A 104 5.801 0.813 3.165 1.00 43.50 C ATOM 1605 CG2 VAL A 104 3.977 -0.031 4.655 1.00 3.12 C ATOM 0 H VAL A 104 2.284 2.387 4.488 1.00 42.21 H new ATOM 0 HA VAL A 104 5.104 2.423 5.257 1.00 24.24 H new ATOM 0 HB VAL A 104 3.713 1.129 2.885 1.00 55.23 H new ATOM 0 HG11 VAL A 104 5.805 -0.151 2.656 1.00 43.50 H new ATOM 0 HG12 VAL A 104 6.072 1.597 2.458 1.00 43.50 H new ATOM 0 HG13 VAL A 104 6.523 0.795 3.982 1.00 43.50 H new ATOM 0 HG21 VAL A 104 4.012 -0.982 4.124 1.00 3.12 H new ATOM 0 HG22 VAL A 104 4.648 -0.070 5.513 1.00 3.12 H new ATOM 0 HG23 VAL A 104 2.960 0.156 4.999 1.00 3.12 H new ATOM 1615 N PHE A 105 5.599 4.441 3.875 1.00 32.43 N ATOM 1616 CA PHE A 105 6.002 5.555 3.041 1.00 63.24 C ATOM 1617 C PHE A 105 6.802 5.067 1.841 1.00 10.03 C ATOM 1618 O PHE A 105 7.624 4.155 1.957 1.00 23.24 O ATOM 1619 CB PHE A 105 6.825 6.564 3.848 1.00 71.44 C ATOM 1620 CG PHE A 105 6.090 7.166 5.016 1.00 73.15 C ATOM 1621 CD1 PHE A 105 5.355 8.329 4.862 1.00 20.21 C ATOM 1622 CD2 PHE A 105 6.142 6.571 6.268 1.00 0.45 C ATOM 1623 CE1 PHE A 105 4.684 8.887 5.932 1.00 20.13 C ATOM 1624 CE2 PHE A 105 5.474 7.125 7.342 1.00 31.33 C ATOM 1625 CZ PHE A 105 4.744 8.285 7.174 1.00 41.11 C ATOM 0 H PHE A 105 6.059 4.408 4.785 1.00 32.43 H new ATOM 0 HA PHE A 105 5.101 6.050 2.680 1.00 63.24 H new ATOM 0 HB2 PHE A 105 7.725 6.071 4.215 1.00 71.44 H new ATOM 0 HB3 PHE A 105 7.148 7.366 3.184 1.00 71.44 H new ATOM 0 HD1 PHE A 105 5.306 8.805 3.894 1.00 20.21 H new ATOM 0 HD2 PHE A 105 6.712 5.664 6.404 1.00 0.45 H new ATOM 0 HE1 PHE A 105 4.113 9.794 5.798 1.00 20.13 H new ATOM 0 HE2 PHE A 105 5.522 6.652 8.312 1.00 31.33 H new ATOM 0 HZ PHE A 105 4.221 8.721 8.012 1.00 41.11 H new ATOM 1635 N THR A 106 6.541 5.655 0.694 1.00 13.23 N ATOM 1636 CA THR A 106 7.240 5.313 -0.526 1.00 72.12 C ATOM 1637 C THR A 106 7.339 6.559 -1.422 1.00 12.04 C ATOM 1638 O THR A 106 6.465 7.447 -1.363 1.00 42.34 O ATOM 1639 CB THR A 106 6.517 4.163 -1.273 1.00 52.12 C ATOM 1640 OG1 THR A 106 6.250 3.087 -0.359 1.00 33.52 O ATOM 1641 CG2 THR A 106 7.365 3.632 -2.416 1.00 72.52 C ATOM 0 H THR A 106 5.837 6.385 0.581 1.00 13.23 H new ATOM 0 HA THR A 106 8.243 4.968 -0.275 1.00 72.12 H new ATOM 0 HB THR A 106 5.586 4.559 -1.679 1.00 52.12 H new ATOM 0 HG1 THR A 106 5.455 2.596 -0.655 1.00 33.52 H new ATOM 0 HG21 THR A 106 6.832 2.827 -2.921 1.00 72.52 H new ATOM 0 HG22 THR A 106 7.564 4.436 -3.125 1.00 72.52 H new ATOM 0 HG23 THR A 106 8.308 3.252 -2.023 1.00 72.52 H new ATOM 1649 N ASP A 107 8.400 6.629 -2.232 1.00 74.32 N ATOM 1650 CA ASP A 107 8.662 7.793 -3.093 1.00 63.11 C ATOM 1651 C ASP A 107 7.487 8.117 -4.016 1.00 3.44 C ATOM 1652 O ASP A 107 7.130 9.278 -4.174 1.00 55.32 O ATOM 1653 CB ASP A 107 9.955 7.604 -3.911 1.00 32.22 C ATOM 1654 CG ASP A 107 9.875 6.475 -4.924 1.00 33.43 C ATOM 1655 OD1 ASP A 107 9.934 5.300 -4.516 1.00 11.21 O ATOM 1656 OD2 ASP A 107 9.764 6.757 -6.131 1.00 40.12 O ATOM 0 H ASP A 107 9.097 5.889 -2.311 1.00 74.32 H new ATOM 0 HA ASP A 107 8.793 8.645 -2.426 1.00 63.11 H new ATOM 0 HB2 ASP A 107 10.184 8.533 -4.433 1.00 32.22 H new ATOM 0 HB3 ASP A 107 10.782 7.410 -3.228 1.00 32.22 H new ATOM 1661 N SER A 108 6.890 7.099 -4.613 1.00 14.32 N ATOM 1662 CA SER A 108 5.752 7.303 -5.498 1.00 25.04 C ATOM 1663 C SER A 108 4.504 7.661 -4.685 1.00 74.43 C ATOM 1664 O SER A 108 3.954 8.763 -4.803 1.00 44.23 O ATOM 1665 CB SER A 108 5.507 6.041 -6.339 1.00 71.13 C ATOM 1666 OG SER A 108 4.441 6.219 -7.260 1.00 74.13 O ATOM 0 H SER A 108 7.172 6.125 -4.502 1.00 14.32 H new ATOM 0 HA SER A 108 5.971 8.132 -6.171 1.00 25.04 H new ATOM 0 HB2 SER A 108 6.417 5.784 -6.881 1.00 71.13 H new ATOM 0 HB3 SER A 108 5.281 5.203 -5.679 1.00 71.13 H new ATOM 0 HG SER A 108 4.316 5.397 -7.778 1.00 74.13 H new ATOM 1672 N GLY A 109 4.078 6.739 -3.847 1.00 3.14 N ATOM 1673 CA GLY A 109 2.920 6.962 -3.028 1.00 34.32 C ATOM 1674 C GLY A 109 2.983 6.147 -1.772 1.00 62.10 C ATOM 1675 O GLY A 109 3.768 5.211 -1.688 1.00 2.02 O ATOM 0 H GLY A 109 4.521 5.829 -3.720 1.00 3.14 H new ATOM 0 HA2 GLY A 109 2.847 8.020 -2.776 1.00 34.32 H new ATOM 0 HA3 GLY A 109 2.020 6.705 -3.587 1.00 34.32 H new ATOM 1679 N ILE A 110 2.170 6.487 -0.797 1.00 34.50 N ATOM 1680 CA ILE A 110 2.162 5.759 0.452 1.00 43.25 C ATOM 1681 C ILE A 110 1.356 4.481 0.286 1.00 34.14 C ATOM 1682 O ILE A 110 0.290 4.484 -0.343 1.00 12.33 O ATOM 1683 CB ILE A 110 1.590 6.612 1.610 1.00 11.22 C ATOM 1684 CG1 ILE A 110 2.326 7.958 1.682 1.00 1.11 C ATOM 1685 CG2 ILE A 110 1.722 5.864 2.937 1.00 45.35 C ATOM 1686 CD1 ILE A 110 1.807 8.888 2.757 1.00 45.03 C ATOM 0 H ILE A 110 1.507 7.261 -0.844 1.00 34.50 H new ATOM 0 HA ILE A 110 3.192 5.513 0.711 1.00 43.25 H new ATOM 0 HB ILE A 110 0.533 6.797 1.422 1.00 11.22 H new ATOM 0 HG12 ILE A 110 3.385 7.772 1.858 1.00 1.11 H new ATOM 0 HG13 ILE A 110 2.246 8.456 0.716 1.00 1.11 H new ATOM 0 HG21 ILE A 110 1.316 6.476 3.742 1.00 45.35 H new ATOM 0 HG22 ILE A 110 1.171 4.925 2.882 1.00 45.35 H new ATOM 0 HG23 ILE A 110 2.774 5.657 3.135 1.00 45.35 H new ATOM 0 HD11 ILE A 110 2.379 9.816 2.742 1.00 45.03 H new ATOM 0 HD12 ILE A 110 0.755 9.107 2.572 1.00 45.03 H new ATOM 0 HD13 ILE A 110 1.913 8.412 3.732 1.00 45.03 H new ATOM 1698 N HIS A 111 1.872 3.393 0.813 1.00 31.25 N ATOM 1699 CA HIS A 111 1.232 2.104 0.662 1.00 62.30 C ATOM 1700 C HIS A 111 0.798 1.536 1.995 1.00 71.12 C ATOM 1701 O HIS A 111 1.457 1.730 3.008 1.00 34.23 O ATOM 1702 CB HIS A 111 2.184 1.096 -0.001 1.00 31.13 C ATOM 1703 CG HIS A 111 2.576 1.415 -1.410 1.00 44.22 C ATOM 1704 ND1 HIS A 111 3.677 2.021 -1.908 1.00 45.40 N flip ATOM 1705 CD2 HIS A 111 1.817 1.057 -2.500 1.00 62.44 C flip ATOM 1706 CE1 HIS A 111 3.564 2.009 -3.273 1.00 3.44 C flip ATOM 1707 NE2 HIS A 111 2.436 1.421 -3.605 1.00 74.10 N flip ATOM 0 H HIS A 111 2.737 3.375 1.353 1.00 31.25 H new ATOM 0 HA HIS A 111 0.355 2.263 0.035 1.00 62.30 H new ATOM 0 HB2 HIS A 111 3.089 1.025 0.603 1.00 31.13 H new ATOM 0 HB3 HIS A 111 1.713 0.113 0.014 1.00 31.13 H new ATOM 0 HD2 HIS A 111 0.862 0.555 -2.457 1.00 62.44 H new ATOM 0 HE1 HIS A 111 4.286 2.417 -3.965 1.00 3.44 H new ATOM 0 HE2 HIS A 111 2.098 1.272 -4.556 1.00 74.10 H new ATOM 1716 N ILE A 112 -0.321 0.856 1.986 1.00 74.12 N ATOM 1717 CA ILE A 112 -0.764 0.095 3.131 1.00 63.30 C ATOM 1718 C ILE A 112 -0.749 -1.363 2.720 1.00 44.54 C ATOM 1719 O ILE A 112 -1.256 -1.708 1.647 1.00 44.34 O ATOM 1720 CB ILE A 112 -2.187 0.491 3.608 1.00 71.31 C ATOM 1721 CG1 ILE A 112 -2.242 1.979 3.973 1.00 74.32 C ATOM 1722 CG2 ILE A 112 -2.600 -0.361 4.807 1.00 30.44 C ATOM 1723 CD1 ILE A 112 -3.595 2.430 4.494 1.00 71.21 C ATOM 0 H ILE A 112 -0.952 0.813 1.186 1.00 74.12 H new ATOM 0 HA ILE A 112 -0.098 0.295 3.970 1.00 63.30 H new ATOM 0 HB ILE A 112 -2.885 0.311 2.790 1.00 71.31 H new ATOM 0 HG12 ILE A 112 -1.484 2.187 4.728 1.00 74.32 H new ATOM 0 HG13 ILE A 112 -1.986 2.570 3.093 1.00 74.32 H new ATOM 0 HG21 ILE A 112 -3.600 -0.073 5.131 1.00 30.44 H new ATOM 0 HG22 ILE A 112 -2.600 -1.413 4.523 1.00 30.44 H new ATOM 0 HG23 ILE A 112 -1.895 -0.206 5.624 1.00 30.44 H new ATOM 0 HD11 ILE A 112 -3.558 3.493 4.731 1.00 71.21 H new ATOM 0 HD12 ILE A 112 -4.355 2.255 3.733 1.00 71.21 H new ATOM 0 HD13 ILE A 112 -3.845 1.866 5.393 1.00 71.21 H new ATOM 1735 N ILE A 113 -0.142 -2.206 3.523 1.00 63.43 N ATOM 1736 CA ILE A 113 0.000 -3.604 3.171 1.00 22.20 C ATOM 1737 C ILE A 113 -0.733 -4.499 4.156 1.00 33.22 C ATOM 1738 O ILE A 113 -0.664 -4.293 5.373 1.00 44.24 O ATOM 1739 CB ILE A 113 1.493 -4.013 3.132 1.00 20.34 C ATOM 1740 CG1 ILE A 113 2.287 -3.057 2.240 1.00 52.31 C ATOM 1741 CG2 ILE A 113 1.647 -5.446 2.640 1.00 75.23 C ATOM 1742 CD1 ILE A 113 3.780 -3.280 2.293 1.00 63.32 C ATOM 0 H ILE A 113 0.262 -1.951 4.424 1.00 63.43 H new ATOM 0 HA ILE A 113 -0.438 -3.732 2.181 1.00 22.20 H new ATOM 0 HB ILE A 113 1.889 -3.953 4.146 1.00 20.34 H new ATOM 0 HG12 ILE A 113 1.948 -3.168 1.210 1.00 52.31 H new ATOM 0 HG13 ILE A 113 2.070 -2.031 2.538 1.00 52.31 H new ATOM 0 HG21 ILE A 113 2.704 -5.712 2.620 1.00 75.23 H new ATOM 0 HG22 ILE A 113 1.115 -6.120 3.311 1.00 75.23 H new ATOM 0 HG23 ILE A 113 1.232 -5.532 1.636 1.00 75.23 H new ATOM 0 HD11 ILE A 113 4.278 -2.567 1.636 1.00 63.32 H new ATOM 0 HD12 ILE A 113 4.133 -3.140 3.315 1.00 63.32 H new ATOM 0 HD13 ILE A 113 4.008 -4.295 1.966 1.00 63.32 H new ATOM 1754 N LEU A 114 -1.441 -5.475 3.628 1.00 22.21 N ATOM 1755 CA LEU A 114 -2.128 -6.448 4.446 1.00 15.21 C ATOM 1756 C LEU A 114 -1.628 -7.838 4.089 1.00 75.14 C ATOM 1757 O LEU A 114 -1.495 -8.171 2.910 1.00 61.44 O ATOM 1758 CB LEU A 114 -3.645 -6.358 4.227 1.00 14.30 C ATOM 1759 CG LEU A 114 -4.501 -7.334 5.046 1.00 44.33 C ATOM 1760 CD1 LEU A 114 -4.373 -7.048 6.534 1.00 45.34 C ATOM 1761 CD2 LEU A 114 -5.956 -7.262 4.610 1.00 13.24 C ATOM 0 H LEU A 114 -1.555 -5.615 2.624 1.00 22.21 H new ATOM 0 HA LEU A 114 -1.924 -6.245 5.497 1.00 15.21 H new ATOM 0 HB2 LEU A 114 -3.966 -5.342 4.458 1.00 14.30 H new ATOM 0 HB3 LEU A 114 -3.850 -6.525 3.170 1.00 14.30 H new ATOM 0 HG LEU A 114 -4.136 -8.344 4.862 1.00 44.33 H new ATOM 0 HD11 LEU A 114 -4.988 -7.752 7.094 1.00 45.34 H new ATOM 0 HD12 LEU A 114 -3.331 -7.156 6.837 1.00 45.34 H new ATOM 0 HD13 LEU A 114 -4.707 -6.031 6.739 1.00 45.34 H new ATOM 0 HD21 LEU A 114 -6.548 -7.961 5.201 1.00 13.24 H new ATOM 0 HD22 LEU A 114 -6.331 -6.250 4.761 1.00 13.24 H new ATOM 0 HD23 LEU A 114 -6.033 -7.524 3.555 1.00 13.24 H new ATOM 1773 N ARG A 115 -1.360 -8.643 5.096 1.00 21.21 N ATOM 1774 CA ARG A 115 -0.851 -9.988 4.883 1.00 34.02 C ATOM 1775 C ARG A 115 -1.986 -10.940 4.542 1.00 55.11 C ATOM 1776 O ARG A 115 -2.750 -11.341 5.416 1.00 41.52 O ATOM 1777 CB ARG A 115 -0.115 -10.478 6.133 1.00 45.51 C ATOM 1778 CG ARG A 115 0.538 -11.845 5.987 1.00 74.50 C ATOM 1779 CD ARG A 115 1.753 -11.797 5.073 1.00 41.03 C ATOM 1780 NE ARG A 115 2.353 -13.118 4.911 1.00 33.12 N ATOM 1781 CZ ARG A 115 3.652 -13.390 5.032 1.00 35.11 C ATOM 1782 NH1 ARG A 115 4.529 -12.418 5.277 1.00 3.11 N ATOM 1783 NH2 ARG A 115 4.073 -14.642 4.898 1.00 35.32 N ATOM 0 H ARG A 115 -1.486 -8.390 6.076 1.00 21.21 H new ATOM 0 HA ARG A 115 -0.153 -9.964 4.046 1.00 34.02 H new ATOM 0 HB2 ARG A 115 0.652 -9.750 6.396 1.00 45.51 H new ATOM 0 HB3 ARG A 115 -0.820 -10.513 6.964 1.00 45.51 H new ATOM 0 HG2 ARG A 115 0.836 -12.212 6.969 1.00 74.50 H new ATOM 0 HG3 ARG A 115 -0.188 -12.554 5.589 1.00 74.50 H new ATOM 0 HD2 ARG A 115 1.461 -11.407 4.098 1.00 41.03 H new ATOM 0 HD3 ARG A 115 2.492 -11.109 5.484 1.00 41.03 H new ATOM 0 HE ARG A 115 1.729 -13.893 4.688 1.00 33.12 H new ATOM 0 HH11 ARG A 115 4.209 -11.454 5.374 1.00 3.11 H new ATOM 0 HH12 ARG A 115 5.521 -12.637 5.368 1.00 3.11 H new ATOM 0 HH21 ARG A 115 3.404 -15.387 4.704 1.00 35.32 H new ATOM 0 HH22 ARG A 115 5.066 -14.859 4.989 1.00 35.32 H new ATOM 1797 N THR A 116 -2.097 -11.286 3.275 1.00 11.51 N ATOM 1798 CA THR A 116 -3.126 -12.195 2.827 1.00 2.44 C ATOM 1799 C THR A 116 -2.705 -13.643 3.095 1.00 52.30 C ATOM 1800 O THR A 116 -3.468 -14.427 3.660 1.00 12.00 O ATOM 1801 CB THR A 116 -3.410 -12.007 1.325 1.00 15.43 C ATOM 1802 OG1 THR A 116 -3.467 -10.605 1.021 1.00 44.12 O ATOM 1803 CG2 THR A 116 -4.734 -12.653 0.942 1.00 24.31 C ATOM 0 H THR A 116 -1.482 -10.947 2.535 1.00 11.51 H new ATOM 0 HA THR A 116 -4.037 -11.975 3.383 1.00 2.44 H new ATOM 0 HB THR A 116 -2.609 -12.482 0.759 1.00 15.43 H new ATOM 0 HG1 THR A 116 -3.185 -10.460 0.094 1.00 44.12 H new ATOM 0 HG21 THR A 116 -4.915 -12.508 -0.123 1.00 24.31 H new ATOM 0 HG22 THR A 116 -4.695 -13.720 1.162 1.00 24.31 H new ATOM 0 HG23 THR A 116 -5.541 -12.194 1.513 1.00 24.31 H new ATOM 1811 N GLU A 117 -1.478 -13.983 2.710 1.00 22.45 N ATOM 1812 CA GLU A 117 -0.946 -15.322 2.926 1.00 71.52 C ATOM 1813 C GLU A 117 0.574 -15.278 3.027 1.00 24.33 C ATOM 1814 O GLU A 117 1.084 -15.275 4.160 1.00 0.00 O ATOM 1815 CB GLU A 117 -1.392 -16.288 1.816 1.00 61.52 C ATOM 1816 CG GLU A 117 -0.893 -17.715 2.006 1.00 55.52 C ATOM 1817 CD GLU A 117 -1.492 -18.681 1.011 1.00 4.15 C ATOM 1818 OE1 GLU A 117 -2.571 -19.239 1.298 1.00 52.31 O ATOM 1819 OE2 GLU A 117 -0.891 -18.897 -0.064 1.00 71.34 O ATOM 1820 OXT GLU A 117 1.250 -15.223 1.981 1.00 0.00 O ATOM 0 H GLU A 117 -0.832 -13.345 2.245 1.00 22.45 H new ATOM 0 HA GLU A 117 -1.347 -15.697 3.868 1.00 71.52 H new ATOM 0 HB2 GLU A 117 -2.481 -16.297 1.771 1.00 61.52 H new ATOM 0 HB3 GLU A 117 -1.036 -15.913 0.856 1.00 61.52 H new ATOM 0 HG2 GLU A 117 0.193 -17.731 1.913 1.00 55.52 H new ATOM 0 HG3 GLU A 117 -1.131 -18.047 3.017 1.00 55.52 H new TER 1827 GLU A 117