USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 917 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 107 SER OG : rot 180:sc= 1.04 USER MOD Set 1.2: A 110 TYR OH : rot 36:sc= 0.8 USER MOD Set 2.1: A 83 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 86 THR OG1 : rot -9:sc= 1.04! USER MOD Set 3.1: A 6 CYS SG : rot -156:sc= 1.62 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.11 USER MOD Single : A 0 SER OG : rot -3:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.117 (180deg=-0.498) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -102:sc= 0.0801 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.0399 K(o=0.04,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 0.273 (180deg=0.105) USER MOD Single : A 24 THR OG1 : rot -126:sc= 1.64 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.841 USER MOD Single : A 27 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.9) USER MOD Single : A 29 MET CE :methyl -133:sc= -3.94! (180deg=-6.68!) USER MOD Single : A 32 THR OG1 : rot -86:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -74:sc= 0.347 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.957) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0288 (180deg=-0.232) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 79:sc= 0.592 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0522) USER MOD Single : A 66 TYR OH : rot 165:sc= -1.6! USER MOD Single : A 68 GLN :FLIP amide:sc= -0.471 F(o=-2.4!,f=-0.47) USER MOD Single : A 70 MET CE :methyl -161:sc= -0.0792 (180deg=-0.51) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 0.806 (180deg=-0.315) USER MOD Single : A 73 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.0755 (180deg=-0.362) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.07) USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= -0.0494 (180deg=-0.365) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 0.521 -6.589 -29.187 1.00 32.43 N ATOM 2 CA GLY A -1 -0.790 -6.353 -28.591 1.00 42.13 C ATOM 3 C GLY A -1 -0.716 -5.321 -27.505 1.00 34.22 C ATOM 4 O GLY A -1 0.362 -5.054 -26.970 1.00 60.41 O ATOM 0 H1 GLY A -1 0.582 -6.093 -30.099 1.00 32.43 H new ATOM 0 H2 GLY A -1 1.261 -6.234 -28.549 1.00 32.43 H new ATOM 0 H3 GLY A -1 0.655 -7.609 -29.338 1.00 32.43 H new ATOM 0 HA2 GLY A -1 -1.488 -6.025 -29.361 1.00 42.13 H new ATOM 0 HA3 GLY A -1 -1.180 -7.286 -28.184 1.00 42.13 H new ATOM 10 N SER A 0 -1.843 -4.722 -27.194 1.00 54.33 N ATOM 11 CA SER A 0 -1.969 -3.729 -26.148 1.00 33.34 C ATOM 12 C SER A 0 -3.431 -3.613 -25.727 1.00 71.21 C ATOM 13 O SER A 0 -4.251 -2.977 -26.408 1.00 2.22 O ATOM 14 CB SER A 0 -1.411 -2.349 -26.582 1.00 2.11 C ATOM 15 OG SER A 0 -0.001 -2.403 -26.835 1.00 64.31 O ATOM 0 H SER A 0 -2.722 -4.916 -27.674 1.00 54.33 H new ATOM 0 HA SER A 0 -1.371 -4.057 -25.298 1.00 33.34 H new ATOM 0 HB2 SER A 0 -1.929 -2.013 -27.480 1.00 2.11 H new ATOM 0 HB3 SER A 0 -1.613 -1.613 -25.803 1.00 2.11 H new ATOM 0 HG SER A 0 0.335 -3.300 -26.627 1.00 64.31 H new ATOM 21 N MET A 1 -3.767 -4.281 -24.661 1.00 55.55 N ATOM 22 CA MET A 1 -5.103 -4.249 -24.120 1.00 34.20 C ATOM 23 C MET A 1 -5.130 -3.336 -22.918 1.00 11.24 C ATOM 24 O MET A 1 -4.264 -3.432 -22.046 1.00 52.34 O ATOM 25 CB MET A 1 -5.544 -5.654 -23.708 1.00 51.50 C ATOM 26 CG MET A 1 -5.633 -6.646 -24.859 1.00 11.31 C ATOM 27 SD MET A 1 -6.030 -8.332 -24.321 1.00 43.43 S ATOM 28 CE MET A 1 -7.607 -8.080 -23.500 1.00 73.04 C ATOM 0 H MET A 1 -3.119 -4.869 -24.136 1.00 55.55 H new ATOM 0 HA MET A 1 -5.788 -3.878 -24.882 1.00 34.20 H new ATOM 0 HB2 MET A 1 -4.844 -6.039 -22.966 1.00 51.50 H new ATOM 0 HB3 MET A 1 -6.518 -5.589 -23.224 1.00 51.50 H new ATOM 0 HG2 MET A 1 -6.393 -6.308 -25.563 1.00 11.31 H new ATOM 0 HG3 MET A 1 -4.684 -6.657 -25.395 1.00 11.31 H new ATOM 0 HE1 MET A 1 -8.099 -9.042 -23.355 1.00 73.04 H new ATOM 0 HE2 MET A 1 -7.442 -7.607 -22.532 1.00 73.04 H new ATOM 0 HE3 MET A 1 -8.239 -7.438 -24.114 1.00 73.04 H new ATOM 38 N THR A 2 -6.089 -2.440 -22.884 1.00 32.04 N ATOM 39 CA THR A 2 -6.230 -1.535 -21.780 1.00 41.21 C ATOM 40 C THR A 2 -7.150 -2.136 -20.720 1.00 13.25 C ATOM 41 O THR A 2 -8.323 -2.414 -20.989 1.00 52.32 O ATOM 42 CB THR A 2 -6.802 -0.186 -22.235 1.00 23.44 C ATOM 43 OG1 THR A 2 -5.989 0.335 -23.303 1.00 10.43 O ATOM 44 CG2 THR A 2 -6.797 0.806 -21.078 1.00 71.13 C ATOM 0 H THR A 2 -6.787 -2.322 -23.619 1.00 32.04 H new ATOM 0 HA THR A 2 -5.238 -1.371 -21.359 1.00 41.21 H new ATOM 0 HB THR A 2 -7.827 -0.331 -22.577 1.00 23.44 H new ATOM 0 HG1 THR A 2 -6.351 1.196 -23.599 1.00 10.43 H new ATOM 0 HG21 THR A 2 -7.205 1.759 -21.414 1.00 71.13 H new ATOM 0 HG22 THR A 2 -7.407 0.417 -20.263 1.00 71.13 H new ATOM 0 HG23 THR A 2 -5.775 0.952 -20.728 1.00 71.13 H new ATOM 52 N VAL A 3 -6.621 -2.345 -19.545 1.00 33.33 N ATOM 53 CA VAL A 3 -7.392 -2.895 -18.454 1.00 52.21 C ATOM 54 C VAL A 3 -7.506 -1.823 -17.365 1.00 22.34 C ATOM 55 O VAL A 3 -6.544 -1.075 -17.129 1.00 2.45 O ATOM 56 CB VAL A 3 -6.703 -4.148 -17.844 1.00 4.20 C ATOM 57 CG1 VAL A 3 -7.616 -4.875 -16.915 1.00 42.12 C ATOM 58 CG2 VAL A 3 -6.179 -5.098 -18.888 1.00 10.21 C ATOM 0 H VAL A 3 -5.649 -2.141 -19.314 1.00 33.33 H new ATOM 0 HA VAL A 3 -8.370 -3.192 -18.831 1.00 52.21 H new ATOM 0 HB VAL A 3 -5.848 -3.770 -17.284 1.00 4.20 H new ATOM 0 HG11 VAL A 3 -7.102 -5.745 -16.507 1.00 42.12 H new ATOM 0 HG12 VAL A 3 -7.910 -4.212 -16.101 1.00 42.12 H new ATOM 0 HG13 VAL A 3 -8.504 -5.199 -17.457 1.00 42.12 H new ATOM 0 HG21 VAL A 3 -5.709 -5.952 -18.400 1.00 10.21 H new ATOM 0 HG22 VAL A 3 -7.003 -5.444 -19.511 1.00 10.21 H new ATOM 0 HG23 VAL A 3 -5.444 -4.586 -19.510 1.00 10.21 H new ATOM 68 N TYR A 4 -8.663 -1.712 -16.738 1.00 51.14 N ATOM 69 CA TYR A 4 -8.858 -0.744 -15.682 1.00 70.40 C ATOM 70 C TYR A 4 -8.815 -1.423 -14.324 1.00 14.32 C ATOM 71 O TYR A 4 -9.431 -2.479 -14.122 1.00 61.41 O ATOM 72 CB TYR A 4 -10.185 -0.015 -15.864 1.00 13.01 C ATOM 73 CG TYR A 4 -10.292 0.738 -17.172 1.00 1.54 C ATOM 74 CD1 TYR A 4 -10.629 0.079 -18.344 1.00 71.15 C ATOM 75 CD2 TYR A 4 -10.065 2.101 -17.234 1.00 53.01 C ATOM 76 CE1 TYR A 4 -10.733 0.750 -19.531 1.00 12.23 C ATOM 77 CE2 TYR A 4 -10.170 2.784 -18.426 1.00 40.24 C ATOM 78 CZ TYR A 4 -10.504 2.096 -19.573 1.00 72.52 C ATOM 79 OH TYR A 4 -10.620 2.764 -20.768 1.00 62.34 O ATOM 0 H TYR A 4 -9.482 -2.284 -16.945 1.00 51.14 H new ATOM 0 HA TYR A 4 -8.050 -0.014 -15.733 1.00 70.40 H new ATOM 0 HB2 TYR A 4 -10.998 -0.739 -15.804 1.00 13.01 H new ATOM 0 HB3 TYR A 4 -10.320 0.685 -15.040 1.00 13.01 H new ATOM 0 HD1 TYR A 4 -10.813 -0.985 -18.319 1.00 71.15 H new ATOM 0 HD2 TYR A 4 -9.802 2.638 -16.335 1.00 53.01 H new ATOM 0 HE1 TYR A 4 -10.996 0.217 -20.433 1.00 12.23 H new ATOM 0 HE2 TYR A 4 -9.992 3.849 -18.461 1.00 40.24 H new ATOM 0 HH TYR A 4 -10.427 3.715 -20.631 1.00 62.34 H new ATOM 89 N ILE A 5 -8.080 -0.836 -13.411 1.00 55.14 N ATOM 90 CA ILE A 5 -7.933 -1.362 -12.070 1.00 45.53 C ATOM 91 C ILE A 5 -8.507 -0.355 -11.086 1.00 70.03 C ATOM 92 O ILE A 5 -8.035 0.757 -11.005 1.00 60.42 O ATOM 93 CB ILE A 5 -6.426 -1.551 -11.624 1.00 63.02 C ATOM 94 CG1 ILE A 5 -5.566 -2.479 -12.505 1.00 22.33 C ATOM 95 CG2 ILE A 5 -6.359 -2.063 -10.188 1.00 71.51 C ATOM 96 CD1 ILE A 5 -5.395 -2.101 -13.967 1.00 44.10 C ATOM 0 H ILE A 5 -7.562 0.027 -13.576 1.00 55.14 H new ATOM 0 HA ILE A 5 -8.437 -2.328 -12.073 1.00 45.53 H new ATOM 0 HB ILE A 5 -5.999 -0.554 -11.731 1.00 63.02 H new ATOM 0 HG12 ILE A 5 -4.575 -2.544 -12.057 1.00 22.33 H new ATOM 0 HG13 ILE A 5 -6.000 -3.478 -12.465 1.00 22.33 H new ATOM 0 HG21 ILE A 5 -5.317 -2.188 -9.895 1.00 71.51 H new ATOM 0 HG22 ILE A 5 -6.839 -1.345 -9.523 1.00 71.51 H new ATOM 0 HG23 ILE A 5 -6.873 -3.022 -10.119 1.00 71.51 H new ATOM 0 HD11 ILE A 5 -4.768 -2.842 -14.463 1.00 44.10 H new ATOM 0 HD12 ILE A 5 -6.371 -2.069 -14.451 1.00 44.10 H new ATOM 0 HD13 ILE A 5 -4.923 -1.121 -14.037 1.00 44.10 H new ATOM 108 N CYS A 6 -9.501 -0.722 -10.373 1.00 51.01 N ATOM 109 CA CYS A 6 -9.967 0.076 -9.287 1.00 2.45 C ATOM 110 C CYS A 6 -9.976 -0.800 -8.062 1.00 64.34 C ATOM 111 O CYS A 6 -10.888 -1.608 -7.884 1.00 60.05 O ATOM 112 CB CYS A 6 -11.346 0.702 -9.538 1.00 32.23 C ATOM 113 SG CYS A 6 -11.939 1.752 -8.185 1.00 62.22 S ATOM 0 H CYS A 6 -10.023 -1.586 -10.519 1.00 51.01 H new ATOM 0 HA CYS A 6 -9.298 0.926 -9.158 1.00 2.45 H new ATOM 0 HB2 CYS A 6 -11.303 1.295 -10.452 1.00 32.23 H new ATOM 0 HB3 CYS A 6 -12.069 -0.095 -9.709 1.00 32.23 H new ATOM 0 HG CYS A 6 -13.236 1.823 -8.228 1.00 62.22 H new ATOM 119 N PRO A 7 -8.940 -0.699 -7.216 1.00 72.14 N ATOM 120 CA PRO A 7 -8.811 -1.546 -6.015 1.00 12.14 C ATOM 121 C PRO A 7 -9.946 -1.340 -5.005 1.00 51.51 C ATOM 122 O PRO A 7 -10.110 -2.134 -4.077 1.00 41.21 O ATOM 123 CB PRO A 7 -7.463 -1.119 -5.408 1.00 60.24 C ATOM 124 CG PRO A 7 -7.179 0.227 -5.989 1.00 34.21 C ATOM 125 CD PRO A 7 -7.795 0.234 -7.357 1.00 2.15 C ATOM 0 HA PRO A 7 -8.863 -2.604 -6.272 1.00 12.14 H new ATOM 0 HB2 PRO A 7 -7.518 -1.074 -4.320 1.00 60.24 H new ATOM 0 HB3 PRO A 7 -6.676 -1.830 -5.659 1.00 60.24 H new ATOM 0 HG2 PRO A 7 -7.603 1.016 -5.368 1.00 34.21 H new ATOM 0 HG3 PRO A 7 -6.106 0.408 -6.045 1.00 34.21 H new ATOM 0 HD2 PRO A 7 -8.122 1.233 -7.647 1.00 2.15 H new ATOM 0 HD3 PRO A 7 -7.091 -0.104 -8.118 1.00 2.15 H new ATOM 133 N GLU A 8 -10.742 -0.305 -5.219 1.00 54.23 N ATOM 134 CA GLU A 8 -11.809 0.043 -4.311 1.00 1.51 C ATOM 135 C GLU A 8 -13.134 -0.586 -4.759 1.00 55.13 C ATOM 136 O GLU A 8 -13.620 -1.555 -4.170 1.00 25.12 O ATOM 137 CB GLU A 8 -11.985 1.559 -4.281 1.00 73.22 C ATOM 138 CG GLU A 8 -10.697 2.338 -4.160 1.00 35.21 C ATOM 139 CD GLU A 8 -9.901 2.023 -2.915 1.00 61.32 C ATOM 140 OE1 GLU A 8 -10.206 2.581 -1.845 1.00 30.34 O ATOM 141 OE2 GLU A 8 -8.926 1.271 -3.004 1.00 45.41 O ATOM 0 H GLU A 8 -10.662 0.313 -6.027 1.00 54.23 H new ATOM 0 HA GLU A 8 -11.546 -0.332 -3.322 1.00 1.51 H new ATOM 0 HB2 GLU A 8 -12.499 1.870 -5.191 1.00 73.22 H new ATOM 0 HB3 GLU A 8 -12.633 1.820 -3.444 1.00 73.22 H new ATOM 0 HG2 GLU A 8 -10.079 2.136 -5.035 1.00 35.21 H new ATOM 0 HG3 GLU A 8 -10.927 3.403 -4.172 1.00 35.21 H new ATOM 148 N THR A 9 -13.683 -0.047 -5.831 1.00 21.03 N ATOM 149 CA THR A 9 -14.997 -0.422 -6.313 1.00 23.44 C ATOM 150 C THR A 9 -14.963 -1.526 -7.369 1.00 51.44 C ATOM 151 O THR A 9 -16.015 -2.000 -7.829 1.00 25.43 O ATOM 152 CB THR A 9 -15.725 0.819 -6.851 1.00 51.35 C ATOM 153 OG1 THR A 9 -14.873 1.491 -7.802 1.00 74.12 O ATOM 154 CG2 THR A 9 -16.062 1.770 -5.714 1.00 43.41 C ATOM 0 H THR A 9 -13.225 0.669 -6.396 1.00 21.03 H new ATOM 0 HA THR A 9 -15.542 -0.834 -5.464 1.00 23.44 H new ATOM 0 HB THR A 9 -16.651 0.507 -7.334 1.00 51.35 H new ATOM 0 HG1 THR A 9 -15.333 2.283 -8.150 1.00 74.12 H new ATOM 0 HG21 THR A 9 -16.577 2.644 -6.112 1.00 43.41 H new ATOM 0 HG22 THR A 9 -16.707 1.264 -4.996 1.00 43.41 H new ATOM 0 HG23 THR A 9 -15.144 2.085 -5.218 1.00 43.41 H new ATOM 162 N GLY A 10 -13.779 -1.944 -7.753 1.00 63.13 N ATOM 163 CA GLY A 10 -13.697 -3.030 -8.697 1.00 45.31 C ATOM 164 C GLY A 10 -13.400 -4.327 -7.996 1.00 63.43 C ATOM 165 O GLY A 10 -13.346 -4.368 -6.758 1.00 2.20 O ATOM 0 H GLY A 10 -12.887 -1.563 -7.438 1.00 63.13 H new ATOM 0 HA2 GLY A 10 -14.636 -3.114 -9.244 1.00 45.31 H new ATOM 0 HA3 GLY A 10 -12.918 -2.822 -9.431 1.00 45.31 H new ATOM 169 N ASP A 11 -13.171 -5.361 -8.753 1.00 11.31 N ATOM 170 CA ASP A 11 -12.994 -6.698 -8.216 1.00 13.42 C ATOM 171 C ASP A 11 -12.083 -7.496 -9.128 1.00 31.01 C ATOM 172 O ASP A 11 -12.049 -7.271 -10.335 1.00 43.35 O ATOM 173 CB ASP A 11 -14.348 -7.409 -8.056 1.00 61.02 C ATOM 174 CG ASP A 11 -14.215 -8.794 -7.463 1.00 3.12 C ATOM 175 OD1 ASP A 11 -14.252 -8.931 -6.224 1.00 32.03 O ATOM 176 OD2 ASP A 11 -14.058 -9.766 -8.223 1.00 42.50 O ATOM 0 H ASP A 11 -13.100 -5.310 -9.769 1.00 11.31 H new ATOM 0 HA ASP A 11 -12.537 -6.621 -7.229 1.00 13.42 H new ATOM 0 HB2 ASP A 11 -14.997 -6.807 -7.420 1.00 61.02 H new ATOM 0 HB3 ASP A 11 -14.833 -7.480 -9.029 1.00 61.02 H new ATOM 181 N ASP A 12 -11.340 -8.398 -8.535 1.00 41.55 N ATOM 182 CA ASP A 12 -10.336 -9.225 -9.220 1.00 3.23 C ATOM 183 C ASP A 12 -10.952 -10.138 -10.287 1.00 61.50 C ATOM 184 O ASP A 12 -10.336 -10.411 -11.298 1.00 14.14 O ATOM 185 CB ASP A 12 -9.595 -10.074 -8.184 1.00 75.05 C ATOM 186 CG ASP A 12 -8.386 -10.784 -8.732 1.00 62.41 C ATOM 187 OD1 ASP A 12 -8.510 -11.930 -9.206 1.00 34.23 O ATOM 188 OD2 ASP A 12 -7.282 -10.210 -8.652 1.00 24.33 O ATOM 0 H ASP A 12 -11.407 -8.594 -7.536 1.00 41.55 H new ATOM 0 HA ASP A 12 -9.648 -8.552 -9.732 1.00 3.23 H new ATOM 0 HB2 ASP A 12 -9.285 -9.434 -7.358 1.00 75.05 H new ATOM 0 HB3 ASP A 12 -10.284 -10.813 -7.774 1.00 75.05 H new ATOM 193 N GLY A 13 -12.177 -10.566 -10.075 1.00 31.41 N ATOM 194 CA GLY A 13 -12.785 -11.507 -10.991 1.00 63.32 C ATOM 195 C GLY A 13 -13.601 -10.857 -12.091 1.00 23.23 C ATOM 196 O GLY A 13 -14.431 -11.519 -12.724 1.00 13.34 O ATOM 0 H GLY A 13 -12.764 -10.284 -9.290 1.00 31.41 H new ATOM 0 HA2 GLY A 13 -12.002 -12.115 -11.444 1.00 63.32 H new ATOM 0 HA3 GLY A 13 -13.427 -12.184 -10.427 1.00 63.32 H new ATOM 200 N ASN A 14 -13.381 -9.577 -12.325 1.00 60.42 N ATOM 201 CA ASN A 14 -14.103 -8.856 -13.373 1.00 43.54 C ATOM 202 C ASN A 14 -13.397 -8.943 -14.716 1.00 53.33 C ATOM 203 O ASN A 14 -12.343 -9.561 -14.839 1.00 63.20 O ATOM 204 CB ASN A 14 -14.307 -7.386 -13.008 1.00 53.34 C ATOM 205 CG ASN A 14 -15.244 -7.175 -11.843 1.00 54.35 C ATOM 206 OD1 ASN A 14 -16.145 -7.968 -11.598 1.00 12.31 O ATOM 207 ND2 ASN A 14 -15.057 -6.098 -11.134 1.00 3.33 N ATOM 0 H ASN A 14 -12.710 -9.010 -11.807 1.00 60.42 H new ATOM 0 HA ASN A 14 -15.075 -9.341 -13.457 1.00 43.54 H new ATOM 0 HB2 ASN A 14 -13.340 -6.942 -12.770 1.00 53.34 H new ATOM 0 HB3 ASN A 14 -14.696 -6.856 -13.877 1.00 53.34 H new ATOM 0 HD21 ASN A 14 -15.671 -5.893 -10.346 1.00 3.33 H new ATOM 0 HD22 ASN A 14 -14.296 -5.460 -11.367 1.00 3.33 H new ATOM 214 N ASP A 15 -13.983 -8.298 -15.720 1.00 30.13 N ATOM 215 CA ASP A 15 -13.428 -8.274 -17.084 1.00 64.21 C ATOM 216 C ASP A 15 -12.359 -7.212 -17.218 1.00 53.20 C ATOM 217 O ASP A 15 -11.659 -7.133 -18.242 1.00 72.12 O ATOM 218 CB ASP A 15 -14.530 -8.009 -18.127 1.00 21.01 C ATOM 219 CG ASP A 15 -15.570 -9.092 -18.189 1.00 35.12 C ATOM 220 OD1 ASP A 15 -15.300 -10.148 -18.785 1.00 43.43 O ATOM 221 OD2 ASP A 15 -16.674 -8.913 -17.625 1.00 64.12 O ATOM 0 H ASP A 15 -14.854 -7.776 -15.619 1.00 30.13 H new ATOM 0 HA ASP A 15 -12.987 -9.254 -17.267 1.00 64.21 H new ATOM 0 HB2 ASP A 15 -15.017 -7.061 -17.897 1.00 21.01 H new ATOM 0 HB3 ASP A 15 -14.071 -7.901 -19.110 1.00 21.01 H new ATOM 226 N GLY A 16 -12.241 -6.389 -16.197 1.00 55.51 N ATOM 227 CA GLY A 16 -11.279 -5.318 -16.194 1.00 24.15 C ATOM 228 C GLY A 16 -11.627 -4.180 -17.121 1.00 32.32 C ATOM 229 O GLY A 16 -10.745 -3.466 -17.603 1.00 60.40 O ATOM 0 H GLY A 16 -12.809 -6.447 -15.352 1.00 55.51 H new ATOM 0 HA2 GLY A 16 -11.184 -4.931 -15.179 1.00 24.15 H new ATOM 0 HA3 GLY A 16 -10.305 -5.717 -16.475 1.00 24.15 H new ATOM 233 N SER A 17 -12.891 -4.011 -17.373 1.00 32.10 N ATOM 234 CA SER A 17 -13.363 -2.933 -18.193 1.00 50.13 C ATOM 235 C SER A 17 -13.528 -1.706 -17.300 1.00 5.32 C ATOM 236 O SER A 17 -13.312 -1.802 -16.102 1.00 65.13 O ATOM 237 CB SER A 17 -14.679 -3.346 -18.827 1.00 41.43 C ATOM 238 OG SER A 17 -14.512 -4.576 -19.523 1.00 44.04 O ATOM 0 H SER A 17 -13.627 -4.619 -17.015 1.00 32.10 H new ATOM 0 HA SER A 17 -12.663 -2.695 -18.994 1.00 50.13 H new ATOM 0 HB2 SER A 17 -15.446 -3.453 -18.060 1.00 41.43 H new ATOM 0 HB3 SER A 17 -15.021 -2.572 -19.514 1.00 41.43 H new ATOM 0 HG SER A 17 -15.364 -4.840 -19.929 1.00 44.04 H new ATOM 244 N GLU A 18 -13.900 -0.563 -17.847 1.00 1.01 N ATOM 245 CA GLU A 18 -14.024 0.614 -17.017 1.00 31.02 C ATOM 246 C GLU A 18 -15.245 0.470 -16.078 1.00 23.22 C ATOM 247 O GLU A 18 -15.260 0.989 -14.963 1.00 4.34 O ATOM 248 CB GLU A 18 -14.133 1.871 -17.875 1.00 13.42 C ATOM 249 CG GLU A 18 -14.021 3.150 -17.088 1.00 10.52 C ATOM 250 CD GLU A 18 -14.122 4.382 -17.945 1.00 42.25 C ATOM 251 OE1 GLU A 18 -13.102 4.818 -18.517 1.00 14.43 O ATOM 252 OE2 GLU A 18 -15.224 4.934 -18.067 1.00 62.43 O ATOM 0 H GLU A 18 -14.116 -0.428 -18.835 1.00 1.01 H new ATOM 0 HA GLU A 18 -13.128 0.711 -16.404 1.00 31.02 H new ATOM 0 HB2 GLU A 18 -13.351 1.852 -18.634 1.00 13.42 H new ATOM 0 HB3 GLU A 18 -15.088 1.860 -18.401 1.00 13.42 H new ATOM 0 HG2 GLU A 18 -14.807 3.175 -16.333 1.00 10.52 H new ATOM 0 HG3 GLU A 18 -13.069 3.161 -16.558 1.00 10.52 H new ATOM 259 N LEU A 19 -16.259 -0.257 -16.551 1.00 74.15 N ATOM 260 CA LEU A 19 -17.460 -0.515 -15.775 1.00 43.12 C ATOM 261 C LEU A 19 -17.224 -1.612 -14.739 1.00 45.54 C ATOM 262 O LEU A 19 -17.899 -1.665 -13.710 1.00 32.33 O ATOM 263 CB LEU A 19 -18.639 -0.898 -16.677 1.00 43.13 C ATOM 264 CG LEU A 19 -19.155 0.159 -17.668 1.00 54.12 C ATOM 265 CD1 LEU A 19 -19.522 1.459 -16.973 1.00 73.43 C ATOM 266 CD2 LEU A 19 -18.204 0.389 -18.832 1.00 35.10 C ATOM 0 H LEU A 19 -16.265 -0.679 -17.479 1.00 74.15 H new ATOM 0 HA LEU A 19 -17.708 0.410 -15.255 1.00 43.12 H new ATOM 0 HB2 LEU A 19 -18.351 -1.781 -17.248 1.00 43.13 H new ATOM 0 HB3 LEU A 19 -19.470 -1.190 -16.036 1.00 43.13 H new ATOM 0 HG LEU A 19 -20.071 -0.248 -18.096 1.00 54.12 H new ATOM 0 HD11 LEU A 19 -19.881 2.177 -17.710 1.00 73.43 H new ATOM 0 HD12 LEU A 19 -20.305 1.270 -16.238 1.00 73.43 H new ATOM 0 HD13 LEU A 19 -18.643 1.864 -16.471 1.00 73.43 H new ATOM 0 HD21 LEU A 19 -18.620 1.145 -19.498 1.00 35.10 H new ATOM 0 HD22 LEU A 19 -17.241 0.730 -18.453 1.00 35.10 H new ATOM 0 HD23 LEU A 19 -18.068 -0.543 -19.381 1.00 35.10 H new ATOM 278 N LYS A 20 -16.262 -2.484 -15.014 1.00 74.30 N ATOM 279 CA LYS A 20 -15.909 -3.574 -14.098 1.00 0.53 C ATOM 280 C LYS A 20 -14.423 -3.587 -13.939 1.00 42.24 C ATOM 281 O LYS A 20 -13.740 -4.409 -14.566 1.00 4.12 O ATOM 282 CB LYS A 20 -16.298 -4.952 -14.636 1.00 61.35 C ATOM 283 CG LYS A 20 -17.722 -5.116 -15.129 1.00 71.45 C ATOM 284 CD LYS A 20 -17.945 -6.548 -15.589 1.00 12.33 C ATOM 285 CE LYS A 20 -19.322 -6.756 -16.190 1.00 53.01 C ATOM 286 NZ LYS A 20 -19.534 -8.170 -16.574 1.00 60.10 N ATOM 0 H LYS A 20 -15.706 -2.461 -15.869 1.00 74.30 H new ATOM 0 HA LYS A 20 -16.444 -3.395 -13.165 1.00 0.53 H new ATOM 0 HB2 LYS A 20 -15.624 -5.199 -15.456 1.00 61.35 H new ATOM 0 HB3 LYS A 20 -16.124 -5.686 -13.849 1.00 61.35 H new ATOM 0 HG2 LYS A 20 -18.423 -4.867 -14.333 1.00 71.45 H new ATOM 0 HG3 LYS A 20 -17.914 -4.426 -15.951 1.00 71.45 H new ATOM 0 HD2 LYS A 20 -17.187 -6.812 -16.326 1.00 12.33 H new ATOM 0 HD3 LYS A 20 -17.816 -7.223 -14.743 1.00 12.33 H new ATOM 0 HE2 LYS A 20 -20.084 -6.454 -15.471 1.00 53.01 H new ATOM 0 HE3 LYS A 20 -19.439 -6.118 -17.066 1.00 53.01 H new ATOM 0 HZ1 LYS A 20 -20.272 -8.224 -17.305 1.00 60.10 H new ATOM 0 HZ2 LYS A 20 -18.647 -8.565 -16.947 1.00 60.10 H new ATOM 0 HZ3 LYS A 20 -19.832 -8.715 -15.740 1.00 60.10 H new ATOM 300 N PRO A 21 -13.877 -2.674 -13.176 1.00 32.53 N ATOM 301 CA PRO A 21 -12.460 -2.615 -12.988 1.00 12.42 C ATOM 302 C PRO A 21 -11.971 -3.769 -12.125 1.00 71.51 C ATOM 303 O PRO A 21 -12.744 -4.366 -11.351 1.00 72.54 O ATOM 304 CB PRO A 21 -12.232 -1.272 -12.304 1.00 71.20 C ATOM 305 CG PRO A 21 -13.535 -0.918 -11.666 1.00 2.13 C ATOM 306 CD PRO A 21 -14.600 -1.613 -12.442 1.00 72.34 C ATOM 0 HA PRO A 21 -11.910 -2.701 -13.925 1.00 12.42 H new ATOM 0 HB2 PRO A 21 -11.438 -1.341 -11.561 1.00 71.20 H new ATOM 0 HB3 PRO A 21 -11.929 -0.512 -13.024 1.00 71.20 H new ATOM 0 HG2 PRO A 21 -13.551 -1.231 -10.622 1.00 2.13 H new ATOM 0 HG3 PRO A 21 -13.690 0.161 -11.678 1.00 2.13 H new ATOM 0 HD2 PRO A 21 -15.363 -2.031 -11.786 1.00 72.34 H new ATOM 0 HD3 PRO A 21 -15.106 -0.930 -13.124 1.00 72.34 H new ATOM 314 N LEU A 22 -10.728 -4.103 -12.275 1.00 71.54 N ATOM 315 CA LEU A 22 -10.123 -5.142 -11.492 1.00 33.21 C ATOM 316 C LEU A 22 -9.662 -4.560 -10.202 1.00 2.23 C ATOM 317 O LEU A 22 -9.554 -3.360 -10.081 1.00 24.23 O ATOM 318 CB LEU A 22 -8.956 -5.756 -12.233 1.00 51.33 C ATOM 319 CG LEU A 22 -9.301 -6.417 -13.549 1.00 4.11 C ATOM 320 CD1 LEU A 22 -8.065 -6.912 -14.219 1.00 15.45 C ATOM 321 CD2 LEU A 22 -10.283 -7.552 -13.342 1.00 70.11 C ATOM 0 H LEU A 22 -10.099 -3.663 -12.946 1.00 71.54 H new ATOM 0 HA LEU A 22 -10.854 -5.928 -11.305 1.00 33.21 H new ATOM 0 HB2 LEU A 22 -8.215 -4.978 -12.419 1.00 51.33 H new ATOM 0 HB3 LEU A 22 -8.485 -6.496 -11.586 1.00 51.33 H new ATOM 0 HG LEU A 22 -9.773 -5.674 -14.192 1.00 4.11 H new ATOM 0 HD11 LEU A 22 -8.329 -7.385 -15.165 1.00 15.45 H new ATOM 0 HD12 LEU A 22 -7.393 -6.075 -14.407 1.00 15.45 H new ATOM 0 HD13 LEU A 22 -7.568 -7.638 -13.576 1.00 15.45 H new ATOM 0 HD21 LEU A 22 -10.516 -8.012 -14.303 1.00 70.11 H new ATOM 0 HD22 LEU A 22 -9.843 -8.298 -12.680 1.00 70.11 H new ATOM 0 HD23 LEU A 22 -11.198 -7.164 -12.894 1.00 70.11 H new ATOM 333 N ARG A 23 -9.399 -5.378 -9.243 1.00 74.52 N ATOM 334 CA ARG A 23 -8.972 -4.861 -7.974 1.00 35.02 C ATOM 335 C ARG A 23 -7.475 -5.065 -7.800 1.00 42.22 C ATOM 336 O ARG A 23 -6.885 -4.660 -6.806 1.00 13.42 O ATOM 337 CB ARG A 23 -9.823 -5.463 -6.852 1.00 5.41 C ATOM 338 CG ARG A 23 -9.625 -6.921 -6.561 1.00 63.43 C ATOM 339 CD ARG A 23 -8.519 -7.191 -5.563 1.00 60.42 C ATOM 340 NE ARG A 23 -8.332 -8.639 -5.354 1.00 3.13 N ATOM 341 CZ ARG A 23 -8.600 -9.290 -4.208 1.00 61.34 C ATOM 342 NH1 ARG A 23 -9.162 -8.648 -3.187 1.00 41.30 N ATOM 343 NH2 ARG A 23 -8.335 -10.579 -4.103 1.00 73.02 N ATOM 0 H ARG A 23 -9.468 -6.394 -9.303 1.00 74.52 H new ATOM 0 HA ARG A 23 -9.131 -3.784 -7.929 1.00 35.02 H new ATOM 0 HB2 ARG A 23 -9.624 -4.904 -5.938 1.00 5.41 H new ATOM 0 HB3 ARG A 23 -10.873 -5.306 -7.100 1.00 5.41 H new ATOM 0 HG2 ARG A 23 -10.557 -7.338 -6.180 1.00 63.43 H new ATOM 0 HG3 ARG A 23 -9.400 -7.442 -7.491 1.00 63.43 H new ATOM 0 HD2 ARG A 23 -7.588 -6.749 -5.919 1.00 60.42 H new ATOM 0 HD3 ARG A 23 -8.757 -6.711 -4.614 1.00 60.42 H new ATOM 0 HE ARG A 23 -7.973 -9.187 -6.136 1.00 3.13 H new ATOM 0 HH11 ARG A 23 -9.392 -7.658 -3.271 1.00 41.30 H new ATOM 0 HH12 ARG A 23 -9.363 -9.146 -2.320 1.00 41.30 H new ATOM 0 HH21 ARG A 23 -7.927 -11.082 -4.891 1.00 73.02 H new ATOM 0 HH22 ARG A 23 -8.538 -11.072 -3.234 1.00 73.02 H new ATOM 357 N THR A 24 -6.873 -5.686 -8.796 1.00 21.24 N ATOM 358 CA THR A 24 -5.459 -5.931 -8.816 1.00 41.42 C ATOM 359 C THR A 24 -4.890 -5.543 -10.166 1.00 11.22 C ATOM 360 O THR A 24 -5.573 -5.646 -11.197 1.00 74.52 O ATOM 361 CB THR A 24 -5.125 -7.430 -8.597 1.00 24.13 C ATOM 362 OG1 THR A 24 -5.830 -8.220 -9.556 1.00 54.30 O ATOM 363 CG2 THR A 24 -5.447 -7.900 -7.200 1.00 71.41 C ATOM 0 H THR A 24 -7.364 -6.035 -9.619 1.00 21.24 H new ATOM 0 HA THR A 24 -5.026 -5.339 -8.009 1.00 41.42 H new ATOM 0 HB THR A 24 -4.050 -7.549 -8.729 1.00 24.13 H new ATOM 0 HG1 THR A 24 -6.342 -8.916 -9.094 1.00 54.30 H new ATOM 0 HG21 THR A 24 -5.193 -8.956 -7.104 1.00 71.41 H new ATOM 0 HG22 THR A 24 -4.870 -7.321 -6.479 1.00 71.41 H new ATOM 0 HG23 THR A 24 -6.511 -7.764 -7.006 1.00 71.41 H new ATOM 371 N LEU A 25 -3.665 -5.086 -10.160 1.00 1.24 N ATOM 372 CA LEU A 25 -2.936 -4.849 -11.384 1.00 61.02 C ATOM 373 C LEU A 25 -2.446 -6.196 -11.896 1.00 0.54 C ATOM 374 O LEU A 25 -2.246 -6.408 -13.095 1.00 33.20 O ATOM 375 CB LEU A 25 -1.775 -3.895 -11.112 1.00 64.43 C ATOM 376 CG LEU A 25 -0.822 -3.599 -12.272 1.00 42.51 C ATOM 377 CD1 LEU A 25 -1.572 -3.085 -13.493 1.00 25.01 C ATOM 378 CD2 LEU A 25 0.206 -2.588 -11.821 1.00 53.01 C ATOM 0 H LEU A 25 -3.144 -4.867 -9.311 1.00 1.24 H new ATOM 0 HA LEU A 25 -3.569 -4.384 -12.140 1.00 61.02 H new ATOM 0 HB2 LEU A 25 -2.190 -2.948 -10.767 1.00 64.43 H new ATOM 0 HB3 LEU A 25 -1.188 -4.304 -10.290 1.00 64.43 H new ATOM 0 HG LEU A 25 -0.326 -4.526 -12.562 1.00 42.51 H new ATOM 0 HD11 LEU A 25 -0.864 -2.885 -14.297 1.00 25.01 H new ATOM 0 HD12 LEU A 25 -2.291 -3.836 -13.821 1.00 25.01 H new ATOM 0 HD13 LEU A 25 -2.098 -2.166 -13.236 1.00 25.01 H new ATOM 0 HD21 LEU A 25 0.889 -2.372 -12.643 1.00 53.01 H new ATOM 0 HD22 LEU A 25 -0.296 -1.670 -11.516 1.00 53.01 H new ATOM 0 HD23 LEU A 25 0.768 -2.992 -10.979 1.00 53.01 H new ATOM 390 N TYR A 26 -2.296 -7.103 -10.959 1.00 14.53 N ATOM 391 CA TYR A 26 -1.910 -8.458 -11.216 1.00 14.01 C ATOM 392 C TYR A 26 -2.911 -9.179 -12.158 1.00 61.20 C ATOM 393 O TYR A 26 -2.492 -9.827 -13.110 1.00 31.22 O ATOM 394 CB TYR A 26 -1.719 -9.178 -9.868 1.00 23.23 C ATOM 395 CG TYR A 26 -1.445 -10.649 -9.943 1.00 4.42 C ATOM 396 CD1 TYR A 26 -0.465 -11.166 -10.773 1.00 34.12 C ATOM 397 CD2 TYR A 26 -2.166 -11.521 -9.162 1.00 14.10 C ATOM 398 CE1 TYR A 26 -0.228 -12.521 -10.821 1.00 51.41 C ATOM 399 CE2 TYR A 26 -1.938 -12.869 -9.197 1.00 64.53 C ATOM 400 CZ TYR A 26 -0.970 -13.367 -10.028 1.00 14.34 C ATOM 401 OH TYR A 26 -0.744 -14.715 -10.069 1.00 43.21 O ATOM 0 H TYR A 26 -2.445 -6.906 -9.969 1.00 14.53 H new ATOM 0 HA TYR A 26 -0.962 -8.475 -11.753 1.00 14.01 H new ATOM 0 HB2 TYR A 26 -0.895 -8.701 -9.338 1.00 23.23 H new ATOM 0 HB3 TYR A 26 -2.615 -9.026 -9.267 1.00 23.23 H new ATOM 0 HD1 TYR A 26 0.120 -10.499 -11.389 1.00 34.12 H new ATOM 0 HD2 TYR A 26 -2.930 -11.132 -8.505 1.00 14.10 H new ATOM 0 HE1 TYR A 26 0.534 -12.917 -11.476 1.00 51.41 H new ATOM 0 HE2 TYR A 26 -2.517 -13.535 -8.574 1.00 64.53 H new ATOM 0 HH TYR A 26 0.196 -14.883 -10.288 1.00 43.21 H new ATOM 411 N GLN A 27 -4.222 -9.033 -11.918 1.00 11.32 N ATOM 412 CA GLN A 27 -5.224 -9.668 -12.797 1.00 64.40 C ATOM 413 C GLN A 27 -5.194 -9.045 -14.195 1.00 12.22 C ATOM 414 O GLN A 27 -5.406 -9.733 -15.185 1.00 43.12 O ATOM 415 CB GLN A 27 -6.637 -9.620 -12.174 1.00 24.40 C ATOM 416 CG GLN A 27 -7.767 -10.231 -13.031 1.00 74.21 C ATOM 417 CD GLN A 27 -7.534 -11.688 -13.405 1.00 52.13 C ATOM 418 OE1 GLN A 27 -6.882 -12.435 -12.686 1.00 70.44 O ATOM 419 NE2 GLN A 27 -8.099 -12.103 -14.509 1.00 65.15 N ATOM 0 H GLN A 27 -4.610 -8.495 -11.143 1.00 11.32 H new ATOM 0 HA GLN A 27 -4.962 -10.721 -12.901 1.00 64.40 H new ATOM 0 HB2 GLN A 27 -6.610 -10.140 -11.217 1.00 24.40 H new ATOM 0 HB3 GLN A 27 -6.887 -8.580 -11.964 1.00 24.40 H new ATOM 0 HG2 GLN A 27 -8.708 -10.151 -12.486 1.00 74.21 H new ATOM 0 HG3 GLN A 27 -7.877 -9.644 -13.943 1.00 74.21 H new ATOM 0 HE21 GLN A 27 -8.635 -11.452 -15.083 1.00 65.15 H new ATOM 0 HE22 GLN A 27 -8.004 -13.077 -14.796 1.00 65.15 H new ATOM 428 N ALA A 28 -4.898 -7.747 -14.269 1.00 40.30 N ATOM 429 CA ALA A 28 -4.764 -7.054 -15.532 1.00 30.14 C ATOM 430 C ALA A 28 -3.670 -7.721 -16.367 1.00 41.21 C ATOM 431 O ALA A 28 -3.810 -7.912 -17.582 1.00 51.44 O ATOM 432 CB ALA A 28 -4.460 -5.580 -15.281 1.00 74.14 C ATOM 0 H ALA A 28 -4.746 -7.156 -13.452 1.00 40.30 H new ATOM 0 HA ALA A 28 -5.698 -7.112 -16.091 1.00 30.14 H new ATOM 0 HB1 ALA A 28 -4.360 -5.062 -16.235 1.00 74.14 H new ATOM 0 HB2 ALA A 28 -5.273 -5.133 -14.709 1.00 74.14 H new ATOM 0 HB3 ALA A 28 -3.530 -5.491 -14.720 1.00 74.14 H new ATOM 438 N MET A 29 -2.601 -8.103 -15.699 1.00 70.13 N ATOM 439 CA MET A 29 -1.523 -8.824 -16.313 1.00 31.11 C ATOM 440 C MET A 29 -1.914 -10.252 -16.653 1.00 25.31 C ATOM 441 O MET A 29 -1.453 -10.790 -17.629 1.00 34.31 O ATOM 442 CB MET A 29 -0.319 -8.842 -15.417 1.00 44.24 C ATOM 443 CG MET A 29 0.401 -7.529 -15.274 1.00 45.21 C ATOM 444 SD MET A 29 1.751 -7.673 -14.161 1.00 72.42 S ATOM 445 CE MET A 29 2.467 -6.112 -14.462 1.00 22.45 C ATOM 0 H MET A 29 -2.462 -7.916 -14.706 1.00 70.13 H new ATOM 0 HA MET A 29 -1.284 -8.304 -17.240 1.00 31.11 H new ATOM 0 HB2 MET A 29 -0.629 -9.176 -14.427 1.00 44.24 H new ATOM 0 HB3 MET A 29 0.384 -9.583 -15.797 1.00 44.24 H new ATOM 0 HG2 MET A 29 0.761 -7.199 -16.248 1.00 45.21 H new ATOM 0 HG3 MET A 29 -0.291 -6.767 -14.916 1.00 45.21 H new ATOM 0 HE1 MET A 29 3.541 -6.226 -14.608 1.00 22.45 H new ATOM 0 HE2 MET A 29 2.024 -5.675 -15.357 1.00 22.45 H new ATOM 0 HE3 MET A 29 2.284 -5.458 -13.610 1.00 22.45 H new ATOM 455 N ILE A 30 -2.759 -10.857 -15.845 1.00 22.31 N ATOM 456 CA ILE A 30 -3.204 -12.234 -16.085 1.00 3.52 C ATOM 457 C ILE A 30 -4.089 -12.321 -17.323 1.00 42.22 C ATOM 458 O ILE A 30 -3.998 -13.273 -18.104 1.00 23.12 O ATOM 459 CB ILE A 30 -3.935 -12.840 -14.849 1.00 41.43 C ATOM 460 CG1 ILE A 30 -2.989 -12.890 -13.647 1.00 22.42 C ATOM 461 CG2 ILE A 30 -4.476 -14.234 -15.155 1.00 54.10 C ATOM 462 CD1 ILE A 30 -3.618 -13.460 -12.398 1.00 23.50 C ATOM 0 H ILE A 30 -3.158 -10.425 -15.012 1.00 22.31 H new ATOM 0 HA ILE A 30 -2.306 -12.827 -16.259 1.00 3.52 H new ATOM 0 HB ILE A 30 -4.781 -12.196 -14.609 1.00 41.43 H new ATOM 0 HG12 ILE A 30 -2.116 -13.488 -13.908 1.00 22.42 H new ATOM 0 HG13 ILE A 30 -2.632 -11.882 -13.435 1.00 22.42 H new ATOM 0 HG21 ILE A 30 -4.980 -14.630 -14.274 1.00 54.10 H new ATOM 0 HG22 ILE A 30 -5.183 -14.176 -15.983 1.00 54.10 H new ATOM 0 HG23 ILE A 30 -3.651 -14.893 -15.428 1.00 54.10 H new ATOM 0 HD11 ILE A 30 -2.886 -13.463 -11.591 1.00 23.50 H new ATOM 0 HD12 ILE A 30 -4.474 -12.849 -12.110 1.00 23.50 H new ATOM 0 HD13 ILE A 30 -3.949 -14.480 -12.591 1.00 23.50 H new ATOM 474 N ILE A 31 -4.918 -11.330 -17.506 1.00 60.13 N ATOM 475 CA ILE A 31 -5.802 -11.292 -18.635 1.00 44.02 C ATOM 476 C ILE A 31 -5.028 -11.024 -19.927 1.00 34.55 C ATOM 477 O ILE A 31 -5.232 -11.688 -20.934 1.00 12.11 O ATOM 478 CB ILE A 31 -6.889 -10.207 -18.469 1.00 21.51 C ATOM 479 CG1 ILE A 31 -7.687 -10.455 -17.198 1.00 44.15 C ATOM 480 CG2 ILE A 31 -7.816 -10.227 -19.657 1.00 14.42 C ATOM 481 CD1 ILE A 31 -8.789 -9.453 -16.966 1.00 33.23 C ATOM 0 H ILE A 31 -4.999 -10.530 -16.879 1.00 60.13 H new ATOM 0 HA ILE A 31 -6.282 -12.269 -18.692 1.00 44.02 H new ATOM 0 HB ILE A 31 -6.405 -9.232 -18.402 1.00 21.51 H new ATOM 0 HG12 ILE A 31 -8.120 -11.454 -17.241 1.00 44.15 H new ATOM 0 HG13 ILE A 31 -7.008 -10.439 -16.345 1.00 44.15 H new ATOM 0 HG21 ILE A 31 -8.581 -9.460 -19.535 1.00 14.42 H new ATOM 0 HG22 ILE A 31 -7.247 -10.031 -20.566 1.00 14.42 H new ATOM 0 HG23 ILE A 31 -8.292 -11.205 -19.731 1.00 14.42 H new ATOM 0 HD11 ILE A 31 -9.313 -9.696 -16.041 1.00 33.23 H new ATOM 0 HD12 ILE A 31 -8.362 -8.453 -16.889 1.00 33.23 H new ATOM 0 HD13 ILE A 31 -9.491 -9.484 -17.799 1.00 33.23 H new ATOM 493 N THR A 32 -4.120 -10.079 -19.876 1.00 0.00 N ATOM 494 CA THR A 32 -3.405 -9.664 -21.061 1.00 12.14 C ATOM 495 C THR A 32 -2.182 -10.555 -21.338 1.00 22.54 C ATOM 496 O THR A 32 -1.828 -10.819 -22.502 1.00 14.43 O ATOM 497 CB THR A 32 -2.961 -8.194 -20.920 1.00 64.42 C ATOM 498 OG1 THR A 32 -2.123 -8.068 -19.755 1.00 14.01 O ATOM 499 CG2 THR A 32 -4.172 -7.279 -20.754 1.00 4.54 C ATOM 0 H THR A 32 -3.858 -9.581 -19.025 1.00 0.00 H new ATOM 0 HA THR A 32 -4.085 -9.764 -21.907 1.00 12.14 H new ATOM 0 HB THR A 32 -2.417 -7.904 -21.819 1.00 64.42 H new ATOM 0 HG1 THR A 32 -2.683 -7.928 -18.963 1.00 14.01 H new ATOM 0 HG21 THR A 32 -3.837 -6.246 -20.656 1.00 4.54 H new ATOM 0 HG22 THR A 32 -4.819 -7.370 -21.627 1.00 4.54 H new ATOM 0 HG23 THR A 32 -4.726 -7.567 -19.860 1.00 4.54 H new ATOM 507 N LYS A 33 -1.526 -10.990 -20.252 1.00 51.52 N ATOM 508 CA LYS A 33 -0.306 -11.813 -20.271 1.00 54.13 C ATOM 509 C LYS A 33 0.825 -11.129 -21.005 1.00 0.52 C ATOM 510 O LYS A 33 1.813 -11.753 -21.372 1.00 43.11 O ATOM 511 CB LYS A 33 -0.562 -13.215 -20.818 1.00 52.41 C ATOM 512 CG LYS A 33 -1.498 -14.033 -19.945 1.00 4.13 C ATOM 513 CD LYS A 33 -1.629 -15.464 -20.427 1.00 30.04 C ATOM 514 CE LYS A 33 -0.284 -16.183 -20.404 1.00 23.41 C ATOM 515 NZ LYS A 33 -0.396 -17.595 -20.801 1.00 62.43 N ATOM 0 H LYS A 33 -1.839 -10.772 -19.306 1.00 51.52 H new ATOM 0 HA LYS A 33 0.005 -11.929 -19.233 1.00 54.13 H new ATOM 0 HB2 LYS A 33 -0.985 -13.136 -21.820 1.00 52.41 H new ATOM 0 HB3 LYS A 33 0.388 -13.740 -20.914 1.00 52.41 H new ATOM 0 HG2 LYS A 33 -1.130 -14.030 -18.919 1.00 4.13 H new ATOM 0 HG3 LYS A 33 -2.482 -13.564 -19.932 1.00 4.13 H new ATOM 0 HD2 LYS A 33 -2.340 -15.998 -19.797 1.00 30.04 H new ATOM 0 HD3 LYS A 33 -2.031 -15.473 -21.440 1.00 30.04 H new ATOM 0 HE2 LYS A 33 0.409 -15.674 -21.074 1.00 23.41 H new ATOM 0 HE3 LYS A 33 0.140 -16.123 -19.402 1.00 23.41 H new ATOM 0 HZ1 LYS A 33 0.543 -18.040 -20.770 1.00 62.43 H new ATOM 0 HZ2 LYS A 33 -1.036 -18.090 -20.147 1.00 62.43 H new ATOM 0 HZ3 LYS A 33 -0.775 -17.655 -21.768 1.00 62.43 H new ATOM 529 N SER A 34 0.702 -9.830 -21.150 1.00 45.30 N ATOM 530 CA SER A 34 1.663 -9.045 -21.877 1.00 61.32 C ATOM 531 C SER A 34 2.687 -8.417 -20.927 1.00 3.43 C ATOM 532 O SER A 34 3.639 -7.779 -21.377 1.00 61.34 O ATOM 533 CB SER A 34 0.913 -7.953 -22.629 1.00 70.14 C ATOM 534 OG SER A 34 -0.128 -8.522 -23.419 1.00 55.31 O ATOM 0 H SER A 34 -0.072 -9.289 -20.764 1.00 45.30 H new ATOM 0 HA SER A 34 2.205 -9.685 -22.573 1.00 61.32 H new ATOM 0 HB2 SER A 34 0.493 -7.238 -21.922 1.00 70.14 H new ATOM 0 HB3 SER A 34 1.603 -7.402 -23.267 1.00 70.14 H new ATOM 0 HG SER A 34 -0.603 -7.810 -23.896 1.00 55.31 H new ATOM 540 N SER A 35 2.480 -8.624 -19.607 1.00 54.45 N ATOM 541 CA SER A 35 3.290 -8.011 -18.524 1.00 62.15 C ATOM 542 C SER A 35 3.063 -6.487 -18.499 1.00 71.03 C ATOM 543 O SER A 35 2.480 -5.945 -17.576 1.00 20.24 O ATOM 544 CB SER A 35 4.802 -8.335 -18.674 1.00 53.53 C ATOM 545 OG SER A 35 5.043 -9.739 -18.728 1.00 22.41 O ATOM 0 H SER A 35 1.737 -9.229 -19.257 1.00 54.45 H new ATOM 0 HA SER A 35 2.962 -8.441 -17.577 1.00 62.15 H new ATOM 0 HB2 SER A 35 5.185 -7.866 -19.580 1.00 53.53 H new ATOM 0 HB3 SER A 35 5.350 -7.905 -17.836 1.00 53.53 H new ATOM 0 HG SER A 35 4.940 -10.123 -17.832 1.00 22.41 H new ATOM 551 N LYS A 36 3.486 -5.842 -19.546 1.00 63.41 N ATOM 552 CA LYS A 36 3.371 -4.467 -19.725 1.00 24.42 C ATOM 553 C LYS A 36 2.401 -4.237 -20.862 1.00 15.21 C ATOM 554 O LYS A 36 2.632 -4.655 -21.993 1.00 71.43 O ATOM 555 CB LYS A 36 4.780 -3.884 -20.012 1.00 71.34 C ATOM 556 CG LYS A 36 4.887 -2.367 -20.249 1.00 32.34 C ATOM 557 CD LYS A 36 4.341 -1.907 -21.612 1.00 41.45 C ATOM 558 CE LYS A 36 5.111 -2.544 -22.775 1.00 71.14 C ATOM 559 NZ LYS A 36 4.615 -2.089 -24.087 1.00 51.42 N ATOM 0 H LYS A 36 3.943 -6.309 -20.329 1.00 63.41 H new ATOM 0 HA LYS A 36 2.988 -3.962 -18.838 1.00 24.42 H new ATOM 0 HB2 LYS A 36 5.427 -4.140 -19.173 1.00 71.34 H new ATOM 0 HB3 LYS A 36 5.181 -4.391 -20.890 1.00 71.34 H new ATOM 0 HG2 LYS A 36 4.346 -1.847 -19.458 1.00 32.34 H new ATOM 0 HG3 LYS A 36 5.933 -2.070 -20.169 1.00 32.34 H new ATOM 0 HD2 LYS A 36 3.285 -2.168 -21.688 1.00 41.45 H new ATOM 0 HD3 LYS A 36 4.407 -0.821 -21.683 1.00 41.45 H new ATOM 0 HE2 LYS A 36 6.170 -2.300 -22.684 1.00 71.14 H new ATOM 0 HE3 LYS A 36 5.027 -3.629 -22.713 1.00 71.14 H new ATOM 0 HZ1 LYS A 36 5.164 -2.545 -24.843 1.00 51.42 H new ATOM 0 HZ2 LYS A 36 3.612 -2.344 -24.186 1.00 51.42 H new ATOM 0 HZ3 LYS A 36 4.719 -1.057 -24.158 1.00 51.42 H new ATOM 573 N GLY A 37 1.329 -3.646 -20.529 1.00 60.21 N ATOM 574 CA GLY A 37 0.315 -3.257 -21.468 1.00 73.35 C ATOM 575 C GLY A 37 -0.195 -1.926 -21.036 1.00 24.53 C ATOM 576 O GLY A 37 0.517 -1.215 -20.304 1.00 32.15 O ATOM 0 H GLY A 37 1.106 -3.402 -19.564 1.00 60.21 H new ATOM 0 HA2 GLY A 37 0.724 -3.204 -22.477 1.00 73.35 H new ATOM 0 HA3 GLY A 37 -0.491 -3.990 -21.490 1.00 73.35 H new ATOM 580 N ASP A 38 -1.383 -1.547 -21.418 1.00 55.14 N ATOM 581 CA ASP A 38 -1.852 -0.292 -20.915 1.00 23.13 C ATOM 582 C ASP A 38 -2.824 -0.556 -19.831 1.00 54.43 C ATOM 583 O ASP A 38 -3.896 -1.102 -20.053 1.00 1.41 O ATOM 584 CB ASP A 38 -2.434 0.624 -21.979 1.00 74.23 C ATOM 585 CG ASP A 38 -2.570 2.045 -21.459 1.00 22.30 C ATOM 586 OD1 ASP A 38 -1.516 2.678 -21.179 1.00 4.33 O ATOM 587 OD2 ASP A 38 -3.692 2.544 -21.319 1.00 4.12 O ATOM 0 H ASP A 38 -2.011 -2.056 -22.040 1.00 55.14 H new ATOM 0 HA ASP A 38 -0.992 0.255 -20.530 1.00 23.13 H new ATOM 0 HB2 ASP A 38 -1.794 0.615 -22.861 1.00 74.23 H new ATOM 0 HB3 ASP A 38 -3.410 0.252 -22.290 1.00 74.23 H new ATOM 592 N PHE A 39 -2.449 -0.210 -18.656 1.00 53.44 N ATOM 593 CA PHE A 39 -3.258 -0.477 -17.526 1.00 70.14 C ATOM 594 C PHE A 39 -3.540 0.804 -16.833 1.00 4.45 C ATOM 595 O PHE A 39 -2.607 1.544 -16.478 1.00 41.11 O ATOM 596 CB PHE A 39 -2.553 -1.442 -16.571 1.00 3.55 C ATOM 597 CG PHE A 39 -2.092 -2.730 -17.208 1.00 61.51 C ATOM 598 CD1 PHE A 39 -2.996 -3.627 -17.732 1.00 73.02 C ATOM 599 CD2 PHE A 39 -0.751 -3.040 -17.265 1.00 75.31 C ATOM 600 CE1 PHE A 39 -2.571 -4.808 -18.304 1.00 71.22 C ATOM 601 CE2 PHE A 39 -0.319 -4.218 -17.833 1.00 31.42 C ATOM 602 CZ PHE A 39 -1.230 -5.105 -18.353 1.00 51.44 C ATOM 0 H PHE A 39 -1.571 0.267 -18.450 1.00 53.44 H new ATOM 0 HA PHE A 39 -4.189 -0.943 -17.850 1.00 70.14 H new ATOM 0 HB2 PHE A 39 -1.690 -0.937 -16.137 1.00 3.55 H new ATOM 0 HB3 PHE A 39 -3.230 -1.680 -15.750 1.00 3.55 H new ATOM 0 HD1 PHE A 39 -4.052 -3.403 -17.695 1.00 73.02 H new ATOM 0 HD2 PHE A 39 -0.028 -2.349 -16.858 1.00 75.31 H new ATOM 0 HE1 PHE A 39 -3.292 -5.500 -18.714 1.00 71.22 H new ATOM 0 HE2 PHE A 39 0.736 -4.444 -17.870 1.00 31.42 H new ATOM 0 HZ PHE A 39 -0.894 -6.030 -18.798 1.00 51.44 H new ATOM 612 N LEU A 40 -4.783 1.091 -16.645 1.00 63.11 N ATOM 613 CA LEU A 40 -5.148 2.311 -15.998 1.00 14.11 C ATOM 614 C LEU A 40 -5.711 1.989 -14.657 1.00 65.11 C ATOM 615 O LEU A 40 -6.681 1.245 -14.541 1.00 23.33 O ATOM 616 CB LEU A 40 -6.166 3.116 -16.815 1.00 44.21 C ATOM 617 CG LEU A 40 -5.761 3.505 -18.244 1.00 41.31 C ATOM 618 CD1 LEU A 40 -6.869 4.308 -18.902 1.00 52.33 C ATOM 619 CD2 LEU A 40 -4.465 4.296 -18.247 1.00 30.34 C ATOM 0 H LEU A 40 -5.565 0.500 -16.929 1.00 63.11 H new ATOM 0 HA LEU A 40 -4.256 2.930 -15.901 1.00 14.11 H new ATOM 0 HB2 LEU A 40 -7.089 2.539 -16.870 1.00 44.21 H new ATOM 0 HB3 LEU A 40 -6.394 4.030 -16.267 1.00 44.21 H new ATOM 0 HG LEU A 40 -5.600 2.590 -18.813 1.00 41.31 H new ATOM 0 HD11 LEU A 40 -6.570 4.578 -19.915 1.00 52.33 H new ATOM 0 HD12 LEU A 40 -7.779 3.709 -18.940 1.00 52.33 H new ATOM 0 HD13 LEU A 40 -7.054 5.214 -18.325 1.00 52.33 H new ATOM 0 HD21 LEU A 40 -4.201 4.559 -19.272 1.00 30.34 H new ATOM 0 HD22 LEU A 40 -4.593 5.206 -17.661 1.00 30.34 H new ATOM 0 HD23 LEU A 40 -3.669 3.692 -17.811 1.00 30.34 H new ATOM 631 N ILE A 41 -5.125 2.536 -13.653 1.00 73.42 N ATOM 632 CA ILE A 41 -5.541 2.260 -12.330 1.00 21.25 C ATOM 633 C ILE A 41 -6.177 3.477 -11.736 1.00 60.32 C ATOM 634 O ILE A 41 -5.726 4.601 -11.968 1.00 54.15 O ATOM 635 CB ILE A 41 -4.364 1.777 -11.439 1.00 12.34 C ATOM 636 CG1 ILE A 41 -3.676 0.571 -12.101 1.00 43.23 C ATOM 637 CG2 ILE A 41 -4.853 1.432 -10.029 1.00 45.03 C ATOM 638 CD1 ILE A 41 -2.684 -0.153 -11.237 1.00 65.33 C ATOM 0 H ILE A 41 -4.344 3.187 -13.728 1.00 73.42 H new ATOM 0 HA ILE A 41 -6.269 1.450 -12.371 1.00 21.25 H new ATOM 0 HB ILE A 41 -3.637 2.583 -11.343 1.00 12.34 H new ATOM 0 HG12 ILE A 41 -4.443 -0.136 -12.417 1.00 43.23 H new ATOM 0 HG13 ILE A 41 -3.167 0.913 -13.002 1.00 43.23 H new ATOM 0 HG21 ILE A 41 -4.011 1.096 -9.424 1.00 45.03 H new ATOM 0 HG22 ILE A 41 -5.299 2.316 -9.572 1.00 45.03 H new ATOM 0 HG23 ILE A 41 -5.598 0.638 -10.086 1.00 45.03 H new ATOM 0 HD11 ILE A 41 -2.255 -0.986 -11.795 1.00 65.33 H new ATOM 0 HD12 ILE A 41 -1.890 0.533 -10.941 1.00 65.33 H new ATOM 0 HD13 ILE A 41 -3.186 -0.533 -10.347 1.00 65.33 H new ATOM 650 N ARG A 42 -7.242 3.260 -11.020 1.00 3.33 N ATOM 651 CA ARG A 42 -7.929 4.293 -10.357 1.00 61.12 C ATOM 652 C ARG A 42 -7.042 4.770 -9.241 1.00 1.44 C ATOM 653 O ARG A 42 -6.637 3.995 -8.363 1.00 34.51 O ATOM 654 CB ARG A 42 -9.234 3.783 -9.795 1.00 14.04 C ATOM 655 CG ARG A 42 -10.236 4.861 -9.421 1.00 4.33 C ATOM 656 CD ARG A 42 -10.730 5.605 -10.663 1.00 63.44 C ATOM 657 NE ARG A 42 -12.002 6.287 -10.458 1.00 2.05 N ATOM 658 CZ ARG A 42 -12.724 6.877 -11.442 1.00 74.01 C ATOM 659 NH1 ARG A 42 -12.320 6.811 -12.711 1.00 12.23 N ATOM 660 NH2 ARG A 42 -13.843 7.521 -11.148 1.00 43.03 N ATOM 0 H ARG A 42 -7.653 2.336 -10.888 1.00 3.33 H new ATOM 0 HA ARG A 42 -8.159 5.104 -11.048 1.00 61.12 H new ATOM 0 HB2 ARG A 42 -9.693 3.119 -10.528 1.00 14.04 H new ATOM 0 HB3 ARG A 42 -9.022 3.183 -8.910 1.00 14.04 H new ATOM 0 HG2 ARG A 42 -11.082 4.411 -8.901 1.00 4.33 H new ATOM 0 HG3 ARG A 42 -9.775 5.566 -8.729 1.00 4.33 H new ATOM 0 HD2 ARG A 42 -9.978 6.335 -10.964 1.00 63.44 H new ATOM 0 HD3 ARG A 42 -10.834 4.897 -11.485 1.00 63.44 H new ATOM 0 HE ARG A 42 -12.374 6.323 -9.509 1.00 2.05 H new ATOM 0 HH11 ARG A 42 -11.462 6.314 -12.948 1.00 12.23 H new ATOM 0 HH12 ARG A 42 -12.869 7.258 -13.445 1.00 12.23 H new ATOM 0 HH21 ARG A 42 -14.162 7.573 -10.181 1.00 43.03 H new ATOM 0 HH22 ARG A 42 -14.386 7.965 -11.889 1.00 43.03 H new ATOM 674 N THR A 43 -6.744 5.985 -9.286 1.00 2.25 N ATOM 675 CA THR A 43 -5.838 6.580 -8.384 1.00 21.33 C ATOM 676 C THR A 43 -6.562 7.655 -7.620 1.00 52.04 C ATOM 677 O THR A 43 -7.581 8.190 -8.100 1.00 50.42 O ATOM 678 CB THR A 43 -4.574 7.136 -9.110 1.00 20.21 C ATOM 679 OG1 THR A 43 -3.601 7.589 -8.158 1.00 24.42 O ATOM 680 CG2 THR A 43 -4.932 8.275 -10.038 1.00 71.04 C ATOM 0 H THR A 43 -7.130 6.633 -9.973 1.00 2.25 H new ATOM 0 HA THR A 43 -5.473 5.824 -7.689 1.00 21.33 H new ATOM 0 HB THR A 43 -4.152 6.321 -9.699 1.00 20.21 H new ATOM 0 HG1 THR A 43 -2.815 7.932 -8.632 1.00 24.42 H new ATOM 0 HG21 THR A 43 -4.030 8.641 -10.529 1.00 71.04 H new ATOM 0 HG22 THR A 43 -5.638 7.923 -10.790 1.00 71.04 H new ATOM 0 HG23 THR A 43 -5.386 9.083 -9.464 1.00 71.04 H new ATOM 688 N LYS A 44 -6.083 7.952 -6.458 1.00 62.21 N ATOM 689 CA LYS A 44 -6.721 8.897 -5.603 1.00 43.12 C ATOM 690 C LYS A 44 -5.891 10.152 -5.595 1.00 64.41 C ATOM 691 O LYS A 44 -4.781 10.180 -5.054 1.00 33.54 O ATOM 692 CB LYS A 44 -6.807 8.304 -4.194 1.00 65.21 C ATOM 693 CG LYS A 44 -7.636 7.032 -4.119 1.00 34.33 C ATOM 694 CD LYS A 44 -7.633 6.439 -2.726 1.00 14.12 C ATOM 695 CE LYS A 44 -8.462 5.167 -2.678 1.00 72.02 C ATOM 696 NZ LYS A 44 -8.445 4.513 -1.347 1.00 54.13 N ATOM 0 H LYS A 44 -5.232 7.543 -6.072 1.00 62.21 H new ATOM 0 HA LYS A 44 -7.728 9.128 -5.951 1.00 43.12 H new ATOM 0 HB2 LYS A 44 -5.800 8.093 -3.836 1.00 65.21 H new ATOM 0 HB3 LYS A 44 -7.235 9.047 -3.522 1.00 65.21 H new ATOM 0 HG2 LYS A 44 -8.661 7.248 -4.420 1.00 34.33 H new ATOM 0 HG3 LYS A 44 -7.244 6.301 -4.826 1.00 34.33 H new ATOM 0 HD2 LYS A 44 -6.609 6.223 -2.420 1.00 14.12 H new ATOM 0 HD3 LYS A 44 -8.031 7.164 -2.016 1.00 14.12 H new ATOM 0 HE2 LYS A 44 -9.492 5.401 -2.948 1.00 72.02 H new ATOM 0 HE3 LYS A 44 -8.087 4.467 -3.425 1.00 72.02 H new ATOM 0 HZ1 LYS A 44 -9.200 3.799 -1.301 1.00 54.13 H new ATOM 0 HZ2 LYS A 44 -7.524 4.053 -1.198 1.00 54.13 H new ATOM 0 HZ3 LYS A 44 -8.599 5.227 -0.607 1.00 54.13 H new ATOM 710 N LYS A 45 -6.423 11.173 -6.215 1.00 2.31 N ATOM 711 CA LYS A 45 -5.740 12.428 -6.363 1.00 53.22 C ATOM 712 C LYS A 45 -6.601 13.544 -5.827 1.00 72.01 C ATOM 713 O LYS A 45 -7.608 13.899 -6.438 1.00 43.20 O ATOM 714 CB LYS A 45 -5.452 12.690 -7.854 1.00 3.44 C ATOM 715 CG LYS A 45 -4.547 11.685 -8.521 1.00 54.34 C ATOM 716 CD LYS A 45 -4.260 12.105 -9.943 1.00 3.10 C ATOM 717 CE LYS A 45 -3.355 13.338 -10.020 1.00 22.12 C ATOM 718 NZ LYS A 45 -2.009 13.088 -9.448 1.00 22.44 N ATOM 0 H LYS A 45 -7.352 11.155 -6.635 1.00 2.31 H new ATOM 0 HA LYS A 45 -4.803 12.388 -5.808 1.00 53.22 H new ATOM 0 HB2 LYS A 45 -6.400 12.714 -8.392 1.00 3.44 H new ATOM 0 HB3 LYS A 45 -5.005 13.679 -7.953 1.00 3.44 H new ATOM 0 HG2 LYS A 45 -3.614 11.599 -7.964 1.00 54.34 H new ATOM 0 HG3 LYS A 45 -5.015 10.701 -8.512 1.00 54.34 H new ATOM 0 HD2 LYS A 45 -3.788 11.278 -10.474 1.00 3.10 H new ATOM 0 HD3 LYS A 45 -5.200 12.316 -10.453 1.00 3.10 H new ATOM 0 HE2 LYS A 45 -3.253 13.646 -11.061 1.00 22.12 H new ATOM 0 HE3 LYS A 45 -3.825 14.165 -9.487 1.00 22.12 H new ATOM 0 HZ1 LYS A 45 -1.360 13.845 -9.744 1.00 22.44 H new ATOM 0 HZ2 LYS A 45 -2.071 13.071 -8.410 1.00 22.44 H new ATOM 0 HZ3 LYS A 45 -1.652 12.173 -9.789 1.00 22.44 H new ATOM 732 N ASP A 46 -6.200 14.077 -4.690 1.00 53.31 N ATOM 733 CA ASP A 46 -6.881 15.200 -4.014 1.00 42.23 C ATOM 734 C ASP A 46 -8.385 14.995 -3.871 1.00 63.40 C ATOM 735 O ASP A 46 -9.170 15.929 -4.025 1.00 22.53 O ATOM 736 CB ASP A 46 -6.550 16.542 -4.677 1.00 75.41 C ATOM 737 CG ASP A 46 -5.095 16.911 -4.504 1.00 1.14 C ATOM 738 OD1 ASP A 46 -4.723 17.406 -3.421 1.00 1.25 O ATOM 739 OD2 ASP A 46 -4.300 16.707 -5.437 1.00 60.12 O ATOM 0 H ASP A 46 -5.376 13.746 -4.188 1.00 53.31 H new ATOM 0 HA ASP A 46 -6.486 15.225 -2.998 1.00 42.23 H new ATOM 0 HB2 ASP A 46 -6.788 16.491 -5.739 1.00 75.41 H new ATOM 0 HB3 ASP A 46 -7.177 17.324 -4.247 1.00 75.41 H new ATOM 744 N GLY A 47 -8.773 13.786 -3.524 1.00 53.05 N ATOM 745 CA GLY A 47 -10.175 13.481 -3.330 1.00 12.21 C ATOM 746 C GLY A 47 -10.880 13.044 -4.597 1.00 42.12 C ATOM 747 O GLY A 47 -12.058 12.675 -4.565 1.00 15.12 O ATOM 0 H GLY A 47 -8.140 13.001 -3.371 1.00 53.05 H new ATOM 0 HA2 GLY A 47 -10.267 12.693 -2.582 1.00 12.21 H new ATOM 0 HA3 GLY A 47 -10.678 14.361 -2.929 1.00 12.21 H new ATOM 751 N LYS A 48 -10.182 13.075 -5.701 1.00 51.43 N ATOM 752 CA LYS A 48 -10.750 12.656 -6.956 1.00 75.25 C ATOM 753 C LYS A 48 -10.136 11.340 -7.380 1.00 63.24 C ATOM 754 O LYS A 48 -8.921 11.157 -7.295 1.00 30.43 O ATOM 755 CB LYS A 48 -10.523 13.723 -8.034 1.00 52.34 C ATOM 756 CG LYS A 48 -11.186 15.057 -7.728 1.00 22.35 C ATOM 757 CD LYS A 48 -10.875 16.096 -8.793 1.00 22.02 C ATOM 758 CE LYS A 48 -11.582 17.408 -8.494 1.00 22.51 C ATOM 759 NZ LYS A 48 -11.254 18.458 -9.482 1.00 20.22 N ATOM 0 H LYS A 48 -9.213 13.388 -5.757 1.00 51.43 H new ATOM 0 HA LYS A 48 -11.825 12.524 -6.830 1.00 75.25 H new ATOM 0 HB2 LYS A 48 -9.451 13.880 -8.156 1.00 52.34 H new ATOM 0 HB3 LYS A 48 -10.901 13.350 -8.986 1.00 52.34 H new ATOM 0 HG2 LYS A 48 -12.265 14.920 -7.658 1.00 22.35 H new ATOM 0 HG3 LYS A 48 -10.847 15.418 -6.757 1.00 22.35 H new ATOM 0 HD2 LYS A 48 -9.799 16.261 -8.842 1.00 22.02 H new ATOM 0 HD3 LYS A 48 -11.185 15.725 -9.770 1.00 22.02 H new ATOM 0 HE2 LYS A 48 -12.660 17.244 -8.485 1.00 22.51 H new ATOM 0 HE3 LYS A 48 -11.303 17.750 -7.497 1.00 22.51 H new ATOM 0 HZ1 LYS A 48 -11.758 19.334 -9.238 1.00 20.22 H new ATOM 0 HZ2 LYS A 48 -10.229 18.635 -9.473 1.00 20.22 H new ATOM 0 HZ3 LYS A 48 -11.543 18.145 -10.431 1.00 20.22 H new ATOM 773 N GLN A 49 -10.959 10.420 -7.805 1.00 23.34 N ATOM 774 CA GLN A 49 -10.497 9.167 -8.261 1.00 63.14 C ATOM 775 C GLN A 49 -10.483 9.221 -9.768 1.00 22.52 C ATOM 776 O GLN A 49 -11.509 9.477 -10.381 1.00 32.51 O ATOM 777 CB GLN A 49 -11.408 8.011 -7.784 1.00 45.40 C ATOM 778 CG GLN A 49 -11.515 7.761 -6.259 1.00 50.54 C ATOM 779 CD GLN A 49 -12.210 8.867 -5.461 1.00 22.15 C ATOM 780 OE1 GLN A 49 -13.431 8.860 -5.305 1.00 2.52 O ATOM 781 NE2 GLN A 49 -11.450 9.769 -4.908 1.00 45.21 N ATOM 0 H GLN A 49 -11.972 10.534 -7.839 1.00 23.34 H new ATOM 0 HA GLN A 49 -9.503 8.973 -7.858 1.00 63.14 H new ATOM 0 HB2 GLN A 49 -12.412 8.197 -8.165 1.00 45.40 H new ATOM 0 HB3 GLN A 49 -11.055 7.091 -8.251 1.00 45.40 H new ATOM 0 HG2 GLN A 49 -12.053 6.827 -6.098 1.00 50.54 H new ATOM 0 HG3 GLN A 49 -10.510 7.624 -5.859 1.00 50.54 H new ATOM 0 HE21 GLN A 49 -10.441 9.747 -5.057 1.00 45.21 H new ATOM 0 HE22 GLN A 49 -11.864 10.497 -4.326 1.00 45.21 H new ATOM 790 N VAL A 50 -9.340 9.013 -10.357 1.00 33.24 N ATOM 791 CA VAL A 50 -9.194 9.090 -11.812 1.00 15.10 C ATOM 792 C VAL A 50 -8.406 7.887 -12.305 1.00 43.15 C ATOM 793 O VAL A 50 -7.898 7.125 -11.491 1.00 64.55 O ATOM 794 CB VAL A 50 -8.470 10.407 -12.245 1.00 54.34 C ATOM 795 CG1 VAL A 50 -9.262 11.633 -11.814 1.00 51.02 C ATOM 796 CG2 VAL A 50 -7.064 10.471 -11.671 1.00 75.45 C ATOM 0 H VAL A 50 -8.479 8.786 -9.860 1.00 33.24 H new ATOM 0 HA VAL A 50 -10.190 9.092 -12.255 1.00 15.10 H new ATOM 0 HB VAL A 50 -8.402 10.400 -13.333 1.00 54.34 H new ATOM 0 HG11 VAL A 50 -8.736 12.535 -12.128 1.00 51.02 H new ATOM 0 HG12 VAL A 50 -10.249 11.609 -12.276 1.00 51.02 H new ATOM 0 HG13 VAL A 50 -9.369 11.634 -10.729 1.00 51.02 H new ATOM 0 HG21 VAL A 50 -6.583 11.397 -11.988 1.00 75.45 H new ATOM 0 HG22 VAL A 50 -7.114 10.442 -10.583 1.00 75.45 H new ATOM 0 HG23 VAL A 50 -6.485 9.620 -12.031 1.00 75.45 H new ATOM 806 N TRP A 51 -8.316 7.701 -13.608 1.00 45.52 N ATOM 807 CA TRP A 51 -7.553 6.600 -14.154 1.00 43.32 C ATOM 808 C TRP A 51 -6.161 7.080 -14.515 1.00 20.32 C ATOM 809 O TRP A 51 -6.003 7.980 -15.350 1.00 32.11 O ATOM 810 CB TRP A 51 -8.218 6.019 -15.407 1.00 34.53 C ATOM 811 CG TRP A 51 -9.584 5.477 -15.221 1.00 1.33 C ATOM 812 CD1 TRP A 51 -10.698 5.971 -15.771 1.00 35.34 C ATOM 813 CD2 TRP A 51 -9.983 4.334 -14.449 1.00 63.51 C ATOM 814 NE1 TRP A 51 -11.781 5.225 -15.404 1.00 45.33 N ATOM 815 CE2 TRP A 51 -11.374 4.212 -14.592 1.00 0.31 C ATOM 816 CE3 TRP A 51 -9.307 3.410 -13.654 1.00 41.44 C ATOM 817 CZ2 TRP A 51 -12.107 3.202 -13.979 1.00 33.32 C ATOM 818 CZ3 TRP A 51 -10.035 2.406 -13.043 1.00 62.33 C ATOM 819 CH2 TRP A 51 -11.422 2.312 -13.209 1.00 64.03 C ATOM 0 H TRP A 51 -8.761 8.298 -14.305 1.00 45.52 H new ATOM 0 HA TRP A 51 -7.505 5.819 -13.396 1.00 43.32 H new ATOM 0 HB2 TRP A 51 -8.257 6.798 -16.168 1.00 34.53 H new ATOM 0 HB3 TRP A 51 -7.582 5.224 -15.797 1.00 34.53 H new ATOM 0 HD1 TRP A 51 -10.736 6.838 -16.415 1.00 35.34 H new ATOM 0 HE1 TRP A 51 -12.743 5.400 -15.693 1.00 45.33 H new ATOM 0 HE3 TRP A 51 -8.238 3.477 -13.518 1.00 41.44 H new ATOM 0 HZ2 TRP A 51 -13.177 3.126 -14.108 1.00 33.32 H new ATOM 0 HZ3 TRP A 51 -9.524 1.681 -12.426 1.00 62.33 H new ATOM 0 HH2 TRP A 51 -11.960 1.516 -12.716 1.00 64.03 H new ATOM 830 N GLU A 52 -5.174 6.503 -13.895 1.00 41.14 N ATOM 831 CA GLU A 52 -3.800 6.834 -14.159 1.00 21.04 C ATOM 832 C GLU A 52 -3.055 5.580 -14.570 1.00 70.54 C ATOM 833 O GLU A 52 -3.290 4.497 -14.011 1.00 22.33 O ATOM 834 CB GLU A 52 -3.159 7.458 -12.923 1.00 10.55 C ATOM 835 CG GLU A 52 -1.703 7.830 -13.097 1.00 65.14 C ATOM 836 CD GLU A 52 -1.115 8.459 -11.873 1.00 54.43 C ATOM 837 OE1 GLU A 52 -0.654 7.734 -10.990 1.00 52.15 O ATOM 838 OE2 GLU A 52 -1.103 9.699 -11.784 1.00 22.11 O ATOM 0 H GLU A 52 -5.299 5.782 -13.184 1.00 41.14 H new ATOM 0 HA GLU A 52 -3.751 7.561 -14.969 1.00 21.04 H new ATOM 0 HB2 GLU A 52 -3.720 8.352 -12.649 1.00 10.55 H new ATOM 0 HB3 GLU A 52 -3.246 6.759 -12.091 1.00 10.55 H new ATOM 0 HG2 GLU A 52 -1.132 6.937 -13.351 1.00 65.14 H new ATOM 0 HG3 GLU A 52 -1.606 8.519 -13.936 1.00 65.14 H new ATOM 845 N ALA A 53 -2.173 5.720 -15.536 1.00 74.12 N ATOM 846 CA ALA A 53 -1.397 4.608 -16.051 1.00 64.21 C ATOM 847 C ALA A 53 -0.507 4.004 -14.971 1.00 40.03 C ATOM 848 O ALA A 53 0.001 4.717 -14.083 1.00 15.13 O ATOM 849 CB ALA A 53 -0.560 5.056 -17.241 1.00 71.40 C ATOM 0 H ALA A 53 -1.972 6.611 -15.989 1.00 74.12 H new ATOM 0 HA ALA A 53 -2.093 3.836 -16.379 1.00 64.21 H new ATOM 0 HB1 ALA A 53 0.018 4.212 -17.618 1.00 71.40 H new ATOM 0 HB2 ALA A 53 -1.216 5.427 -18.028 1.00 71.40 H new ATOM 0 HB3 ALA A 53 0.119 5.850 -16.930 1.00 71.40 H new ATOM 855 N ALA A 54 -0.358 2.702 -15.023 1.00 43.12 N ATOM 856 CA ALA A 54 0.496 1.982 -14.107 1.00 23.01 C ATOM 857 C ALA A 54 1.965 2.301 -14.386 1.00 13.23 C ATOM 858 O ALA A 54 2.299 2.859 -15.433 1.00 45.14 O ATOM 859 CB ALA A 54 0.237 0.489 -14.208 1.00 54.24 C ATOM 0 H ALA A 54 -0.828 2.108 -15.706 1.00 43.12 H new ATOM 0 HA ALA A 54 0.267 2.300 -13.090 1.00 23.01 H new ATOM 0 HB1 ALA A 54 0.887 -0.041 -13.512 1.00 54.24 H new ATOM 0 HB2 ALA A 54 -0.804 0.283 -13.960 1.00 54.24 H new ATOM 0 HB3 ALA A 54 0.442 0.152 -15.224 1.00 54.24 H new ATOM 865 N SER A 55 2.830 1.934 -13.477 1.00 43.24 N ATOM 866 CA SER A 55 4.217 2.244 -13.607 1.00 41.11 C ATOM 867 C SER A 55 4.994 0.960 -13.502 1.00 53.21 C ATOM 868 O SER A 55 4.512 0.002 -12.892 1.00 62.53 O ATOM 869 CB SER A 55 4.645 3.255 -12.522 1.00 25.50 C ATOM 870 OG SER A 55 5.995 3.671 -12.693 1.00 42.41 O ATOM 0 H SER A 55 2.588 1.415 -12.633 1.00 43.24 H new ATOM 0 HA SER A 55 4.416 2.709 -14.573 1.00 41.11 H new ATOM 0 HB2 SER A 55 3.989 4.125 -12.556 1.00 25.50 H new ATOM 0 HB3 SER A 55 4.525 2.804 -11.537 1.00 25.50 H new ATOM 0 HG SER A 55 6.231 4.312 -11.990 1.00 42.41 H new ATOM 876 N LYS A 56 6.179 0.939 -14.075 1.00 23.12 N ATOM 877 CA LYS A 56 7.015 -0.250 -14.152 1.00 72.34 C ATOM 878 C LYS A 56 7.291 -0.876 -12.768 1.00 42.35 C ATOM 879 O LYS A 56 7.379 -2.093 -12.645 1.00 71.43 O ATOM 880 CB LYS A 56 8.297 0.092 -14.883 1.00 22.45 C ATOM 881 CG LYS A 56 9.141 -1.105 -15.248 1.00 44.45 C ATOM 882 CD LYS A 56 10.343 -0.692 -16.067 1.00 22.21 C ATOM 883 CE LYS A 56 9.940 -0.066 -17.411 1.00 71.25 C ATOM 884 NZ LYS A 56 11.115 0.339 -18.210 1.00 44.44 N ATOM 0 H LYS A 56 6.600 1.760 -14.509 1.00 23.12 H new ATOM 0 HA LYS A 56 6.475 -1.014 -14.712 1.00 72.34 H new ATOM 0 HB2 LYS A 56 8.048 0.638 -15.793 1.00 22.45 H new ATOM 0 HB3 LYS A 56 8.889 0.763 -14.260 1.00 22.45 H new ATOM 0 HG2 LYS A 56 9.471 -1.612 -14.341 1.00 44.45 H new ATOM 0 HG3 LYS A 56 8.541 -1.819 -15.812 1.00 44.45 H new ATOM 0 HD2 LYS A 56 10.940 0.022 -15.499 1.00 22.21 H new ATOM 0 HD3 LYS A 56 10.974 -1.562 -16.248 1.00 22.21 H new ATOM 0 HE2 LYS A 56 9.345 -0.781 -17.979 1.00 71.25 H new ATOM 0 HE3 LYS A 56 9.308 0.803 -17.230 1.00 71.25 H new ATOM 0 HZ1 LYS A 56 10.797 0.756 -19.108 1.00 44.44 H new ATOM 0 HZ2 LYS A 56 11.670 1.040 -17.680 1.00 44.44 H new ATOM 0 HZ3 LYS A 56 11.706 -0.494 -18.405 1.00 44.44 H new ATOM 898 N THR A 57 7.396 -0.052 -11.739 1.00 2.13 N ATOM 899 CA THR A 57 7.591 -0.557 -10.385 1.00 43.52 C ATOM 900 C THR A 57 6.335 -1.293 -9.872 1.00 42.34 C ATOM 901 O THR A 57 6.433 -2.343 -9.238 1.00 74.45 O ATOM 902 CB THR A 57 8.011 0.568 -9.387 1.00 71.52 C ATOM 903 OG1 THR A 57 8.187 0.020 -8.072 1.00 33.11 O ATOM 904 CG2 THR A 57 6.977 1.698 -9.330 1.00 44.34 C ATOM 0 H THR A 57 7.350 0.964 -11.811 1.00 2.13 H new ATOM 0 HA THR A 57 8.413 -1.271 -10.437 1.00 43.52 H new ATOM 0 HB THR A 57 8.951 0.986 -9.747 1.00 71.52 H new ATOM 0 HG1 THR A 57 8.452 0.733 -7.453 1.00 33.11 H new ATOM 0 HG21 THR A 57 7.309 2.459 -8.624 1.00 44.34 H new ATOM 0 HG22 THR A 57 6.869 2.143 -10.319 1.00 44.34 H new ATOM 0 HG23 THR A 57 6.017 1.297 -9.006 1.00 44.34 H new ATOM 912 N ALA A 58 5.163 -0.754 -10.168 1.00 33.13 N ATOM 913 CA ALA A 58 3.920 -1.360 -9.738 1.00 4.32 C ATOM 914 C ALA A 58 3.638 -2.582 -10.573 1.00 30.21 C ATOM 915 O ALA A 58 3.100 -3.582 -10.080 1.00 20.31 O ATOM 916 CB ALA A 58 2.778 -0.365 -9.810 1.00 43.31 C ATOM 0 H ALA A 58 5.050 0.105 -10.706 1.00 33.13 H new ATOM 0 HA ALA A 58 4.015 -1.666 -8.696 1.00 4.32 H new ATOM 0 HB1 ALA A 58 1.856 -0.845 -9.482 1.00 43.31 H new ATOM 0 HB2 ALA A 58 2.995 0.485 -9.163 1.00 43.31 H new ATOM 0 HB3 ALA A 58 2.661 -0.019 -10.837 1.00 43.31 H new ATOM 922 N LEU A 59 4.013 -2.505 -11.842 1.00 23.21 N ATOM 923 CA LEU A 59 3.875 -3.609 -12.734 1.00 51.25 C ATOM 924 C LEU A 59 4.757 -4.767 -12.265 1.00 54.24 C ATOM 925 O LEU A 59 4.276 -5.868 -12.087 1.00 41.11 O ATOM 926 CB LEU A 59 4.223 -3.206 -14.181 1.00 40.22 C ATOM 927 CG LEU A 59 3.345 -2.146 -14.854 1.00 51.21 C ATOM 928 CD1 LEU A 59 3.969 -1.723 -16.176 1.00 74.03 C ATOM 929 CD2 LEU A 59 1.972 -2.706 -15.131 1.00 10.34 C ATOM 0 H LEU A 59 4.419 -1.670 -12.265 1.00 23.21 H new ATOM 0 HA LEU A 59 2.834 -3.931 -12.727 1.00 51.25 H new ATOM 0 HB2 LEU A 59 5.252 -2.846 -14.191 1.00 40.22 H new ATOM 0 HB3 LEU A 59 4.194 -4.105 -14.796 1.00 40.22 H new ATOM 0 HG LEU A 59 3.265 -1.289 -14.185 1.00 51.21 H new ATOM 0 HD11 LEU A 59 3.341 -0.969 -16.650 1.00 74.03 H new ATOM 0 HD12 LEU A 59 4.960 -1.307 -15.994 1.00 74.03 H new ATOM 0 HD13 LEU A 59 4.054 -2.589 -16.832 1.00 74.03 H new ATOM 0 HD21 LEU A 59 1.358 -1.943 -15.609 1.00 10.34 H new ATOM 0 HD22 LEU A 59 2.058 -3.569 -15.791 1.00 10.34 H new ATOM 0 HD23 LEU A 59 1.507 -3.011 -14.193 1.00 10.34 H new ATOM 941 N LYS A 60 6.037 -4.496 -12.013 1.00 24.33 N ATOM 942 CA LYS A 60 6.950 -5.532 -11.567 1.00 32.14 C ATOM 943 C LYS A 60 6.477 -6.162 -10.256 1.00 33.40 C ATOM 944 O LYS A 60 6.603 -7.364 -10.064 1.00 53.12 O ATOM 945 CB LYS A 60 8.356 -4.977 -11.418 1.00 2.10 C ATOM 946 CG LYS A 60 9.359 -6.007 -10.964 1.00 33.24 C ATOM 947 CD LYS A 60 10.737 -5.426 -10.890 1.00 3.12 C ATOM 948 CE LYS A 60 11.728 -6.470 -10.403 1.00 54.43 C ATOM 949 NZ LYS A 60 13.112 -5.964 -10.369 1.00 71.53 N ATOM 0 H LYS A 60 6.457 -3.572 -12.111 1.00 24.33 H new ATOM 0 HA LYS A 60 6.965 -6.314 -12.326 1.00 32.14 H new ATOM 0 HB2 LYS A 60 8.678 -4.562 -12.373 1.00 2.10 H new ATOM 0 HB3 LYS A 60 8.341 -4.155 -10.702 1.00 2.10 H new ATOM 0 HG2 LYS A 60 9.071 -6.392 -9.986 1.00 33.24 H new ATOM 0 HG3 LYS A 60 9.354 -6.851 -11.653 1.00 33.24 H new ATOM 0 HD2 LYS A 60 11.037 -5.061 -11.872 1.00 3.12 H new ATOM 0 HD3 LYS A 60 10.741 -4.569 -10.216 1.00 3.12 H new ATOM 0 HE2 LYS A 60 11.441 -6.800 -9.405 1.00 54.43 H new ATOM 0 HE3 LYS A 60 11.680 -7.343 -11.054 1.00 54.43 H new ATOM 0 HZ1 LYS A 60 13.748 -6.714 -10.030 1.00 71.53 H new ATOM 0 HZ2 LYS A 60 13.399 -5.673 -11.325 1.00 71.53 H new ATOM 0 HZ3 LYS A 60 13.167 -5.147 -9.727 1.00 71.53 H new ATOM 963 N LYS A 61 5.899 -5.351 -9.382 1.00 23.01 N ATOM 964 CA LYS A 61 5.388 -5.823 -8.128 1.00 5.20 C ATOM 965 C LYS A 61 4.250 -6.817 -8.358 1.00 35.45 C ATOM 966 O LYS A 61 4.230 -7.900 -7.769 1.00 64.33 O ATOM 967 CB LYS A 61 4.994 -4.592 -7.256 1.00 72.31 C ATOM 968 CG LYS A 61 4.287 -4.845 -5.918 1.00 43.45 C ATOM 969 CD LYS A 61 2.820 -5.188 -6.104 1.00 41.40 C ATOM 970 CE LYS A 61 2.112 -5.337 -4.768 1.00 20.13 C ATOM 971 NZ LYS A 61 0.669 -5.619 -4.926 1.00 2.20 N ATOM 0 H LYS A 61 5.777 -4.350 -9.533 1.00 23.01 H new ATOM 0 HA LYS A 61 6.147 -6.378 -7.576 1.00 5.20 H new ATOM 0 HB2 LYS A 61 5.902 -4.026 -7.050 1.00 72.31 H new ATOM 0 HB3 LYS A 61 4.349 -3.952 -7.857 1.00 72.31 H new ATOM 0 HG2 LYS A 61 4.786 -5.660 -5.393 1.00 43.45 H new ATOM 0 HG3 LYS A 61 4.375 -3.959 -5.289 1.00 43.45 H new ATOM 0 HD2 LYS A 61 2.334 -4.408 -6.690 1.00 41.40 H new ATOM 0 HD3 LYS A 61 2.730 -6.115 -6.670 1.00 41.40 H new ATOM 0 HE2 LYS A 61 2.577 -6.143 -4.201 1.00 20.13 H new ATOM 0 HE3 LYS A 61 2.240 -4.423 -4.188 1.00 20.13 H new ATOM 0 HZ1 LYS A 61 0.229 -5.712 -3.988 1.00 2.20 H new ATOM 0 HZ2 LYS A 61 0.217 -4.839 -5.444 1.00 2.20 H new ATOM 0 HZ3 LYS A 61 0.544 -6.505 -5.457 1.00 2.20 H new ATOM 985 N SER A 62 3.352 -6.470 -9.238 1.00 21.33 N ATOM 986 CA SER A 62 2.216 -7.307 -9.555 1.00 53.41 C ATOM 987 C SER A 62 2.659 -8.555 -10.322 1.00 34.02 C ATOM 988 O SER A 62 2.245 -9.671 -9.996 1.00 70.21 O ATOM 989 CB SER A 62 1.221 -6.491 -10.360 1.00 31.31 C ATOM 990 OG SER A 62 0.874 -5.307 -9.645 1.00 23.13 O ATOM 0 H SER A 62 3.383 -5.595 -9.761 1.00 21.33 H new ATOM 0 HA SER A 62 1.741 -7.648 -8.635 1.00 53.41 H new ATOM 0 HB2 SER A 62 1.650 -6.230 -11.327 1.00 31.31 H new ATOM 0 HB3 SER A 62 0.327 -7.083 -10.557 1.00 31.31 H new ATOM 0 HG SER A 62 1.585 -4.641 -9.750 1.00 23.13 H new ATOM 996 N TRP A 63 3.544 -8.373 -11.287 1.00 20.12 N ATOM 997 CA TRP A 63 4.018 -9.447 -12.106 1.00 53.43 C ATOM 998 C TRP A 63 4.864 -10.420 -11.291 1.00 4.31 C ATOM 999 O TRP A 63 4.954 -11.598 -11.612 1.00 52.55 O ATOM 1000 CB TRP A 63 4.767 -8.918 -13.326 1.00 14.44 C ATOM 1001 CG TRP A 63 5.174 -9.992 -14.258 1.00 14.34 C ATOM 1002 CD1 TRP A 63 6.391 -10.547 -14.342 1.00 32.10 C ATOM 1003 CD2 TRP A 63 4.344 -10.670 -15.218 1.00 73.05 C ATOM 1004 NE1 TRP A 63 6.398 -11.522 -15.298 1.00 70.02 N ATOM 1005 CE2 TRP A 63 5.148 -11.619 -15.851 1.00 65.23 C ATOM 1006 CE3 TRP A 63 2.997 -10.561 -15.598 1.00 4.21 C ATOM 1007 CZ2 TRP A 63 4.664 -12.462 -16.850 1.00 74.02 C ATOM 1008 CZ3 TRP A 63 2.513 -11.403 -16.590 1.00 35.22 C ATOM 1009 CH2 TRP A 63 3.347 -12.340 -17.201 1.00 61.15 C ATOM 0 H TRP A 63 3.949 -7.465 -11.516 1.00 20.12 H new ATOM 0 HA TRP A 63 3.156 -10.001 -12.477 1.00 53.43 H new ATOM 0 HB2 TRP A 63 4.134 -8.205 -13.854 1.00 14.44 H new ATOM 0 HB3 TRP A 63 5.652 -8.375 -12.996 1.00 14.44 H new ATOM 0 HD1 TRP A 63 7.243 -10.264 -13.741 1.00 32.10 H new ATOM 0 HE1 TRP A 63 7.205 -12.088 -15.559 1.00 70.02 H new ATOM 0 HE3 TRP A 63 2.350 -9.836 -15.128 1.00 4.21 H new ATOM 0 HZ2 TRP A 63 5.306 -13.186 -17.330 1.00 74.02 H new ATOM 0 HZ3 TRP A 63 1.479 -11.332 -16.892 1.00 35.22 H new ATOM 0 HH2 TRP A 63 2.944 -12.984 -17.969 1.00 61.15 H new ATOM 1020 N LYS A 64 5.489 -9.926 -10.238 1.00 51.41 N ATOM 1021 CA LYS A 64 6.266 -10.773 -9.349 1.00 70.41 C ATOM 1022 C LYS A 64 5.365 -11.887 -8.747 1.00 25.11 C ATOM 1023 O LYS A 64 5.834 -12.979 -8.455 1.00 75.22 O ATOM 1024 CB LYS A 64 6.953 -9.916 -8.282 1.00 3.45 C ATOM 1025 CG LYS A 64 7.914 -10.646 -7.362 1.00 50.04 C ATOM 1026 CD LYS A 64 8.656 -9.646 -6.486 1.00 23.43 C ATOM 1027 CE LYS A 64 9.636 -10.317 -5.542 1.00 70.12 C ATOM 1028 NZ LYS A 64 8.969 -11.174 -4.547 1.00 41.30 N ATOM 0 H LYS A 64 5.474 -8.940 -9.976 1.00 51.41 H new ATOM 0 HA LYS A 64 7.054 -11.277 -9.908 1.00 70.41 H new ATOM 0 HB2 LYS A 64 7.497 -9.115 -8.782 1.00 3.45 H new ATOM 0 HB3 LYS A 64 6.183 -9.445 -7.671 1.00 3.45 H new ATOM 0 HG2 LYS A 64 7.367 -11.353 -6.738 1.00 50.04 H new ATOM 0 HG3 LYS A 64 8.626 -11.225 -7.951 1.00 50.04 H new ATOM 0 HD2 LYS A 64 9.192 -8.940 -7.120 1.00 23.43 H new ATOM 0 HD3 LYS A 64 7.935 -9.070 -5.907 1.00 23.43 H new ATOM 0 HE2 LYS A 64 10.338 -10.917 -6.120 1.00 70.12 H new ATOM 0 HE3 LYS A 64 10.218 -9.554 -5.026 1.00 70.12 H new ATOM 0 HZ1 LYS A 64 9.669 -11.513 -3.856 1.00 41.30 H new ATOM 0 HZ2 LYS A 64 8.234 -10.627 -4.055 1.00 41.30 H new ATOM 0 HZ3 LYS A 64 8.533 -11.988 -5.026 1.00 41.30 H new ATOM 1042 N ARG A 65 4.048 -11.605 -8.622 1.00 41.12 N ATOM 1043 CA ARG A 65 3.089 -12.635 -8.199 1.00 51.42 C ATOM 1044 C ARG A 65 2.890 -13.673 -9.311 1.00 63.25 C ATOM 1045 O ARG A 65 2.581 -14.827 -9.048 1.00 61.01 O ATOM 1046 CB ARG A 65 1.688 -12.074 -7.821 1.00 71.21 C ATOM 1047 CG ARG A 65 1.433 -11.651 -6.371 1.00 13.01 C ATOM 1048 CD ARG A 65 1.761 -10.200 -6.049 1.00 32.41 C ATOM 1049 NE ARG A 65 3.162 -9.835 -6.172 1.00 43.34 N ATOM 1050 CZ ARG A 65 4.036 -9.807 -5.159 1.00 34.34 C ATOM 1051 NH1 ARG A 65 3.720 -10.316 -3.981 1.00 13.03 N ATOM 1052 NH2 ARG A 65 5.220 -9.262 -5.333 1.00 60.20 N ATOM 0 H ARG A 65 3.637 -10.690 -8.805 1.00 41.12 H new ATOM 0 HA ARG A 65 3.527 -13.081 -7.306 1.00 51.42 H new ATOM 0 HB2 ARG A 65 1.495 -11.210 -8.456 1.00 71.21 H new ATOM 0 HB3 ARG A 65 0.948 -12.831 -8.080 1.00 71.21 H new ATOM 0 HG2 ARG A 65 0.383 -11.829 -6.137 1.00 13.01 H new ATOM 0 HG3 ARG A 65 2.020 -12.293 -5.714 1.00 13.01 H new ATOM 0 HD2 ARG A 65 1.177 -9.558 -6.709 1.00 32.41 H new ATOM 0 HD3 ARG A 65 1.436 -9.990 -5.030 1.00 32.41 H new ATOM 0 HE ARG A 65 3.505 -9.581 -7.099 1.00 43.34 H new ATOM 0 HH11 ARG A 65 2.802 -10.736 -3.837 1.00 13.03 H new ATOM 0 HH12 ARG A 65 4.394 -10.289 -3.216 1.00 13.03 H new ATOM 0 HH21 ARG A 65 5.470 -8.862 -6.238 1.00 60.20 H new ATOM 0 HH22 ARG A 65 5.889 -9.239 -4.563 1.00 60.20 H new ATOM 1066 N TYR A 66 3.055 -13.246 -10.545 1.00 64.42 N ATOM 1067 CA TYR A 66 2.838 -14.100 -11.701 1.00 52.15 C ATOM 1068 C TYR A 66 3.977 -15.113 -11.791 1.00 44.00 C ATOM 1069 O TYR A 66 3.752 -16.292 -12.050 1.00 61.32 O ATOM 1070 CB TYR A 66 2.787 -13.247 -12.963 1.00 51.35 C ATOM 1071 CG TYR A 66 2.111 -13.908 -14.125 1.00 71.14 C ATOM 1072 CD1 TYR A 66 2.688 -14.966 -14.798 1.00 13.12 C ATOM 1073 CD2 TYR A 66 0.872 -13.463 -14.543 1.00 70.21 C ATOM 1074 CE1 TYR A 66 2.050 -15.565 -15.857 1.00 22.11 C ATOM 1075 CE2 TYR A 66 0.227 -14.049 -15.593 1.00 44.51 C ATOM 1076 CZ TYR A 66 0.818 -15.109 -16.252 1.00 33.00 C ATOM 1077 OH TYR A 66 0.171 -15.711 -17.307 1.00 61.31 O ATOM 0 H TYR A 66 3.344 -12.296 -10.779 1.00 64.42 H new ATOM 0 HA TYR A 66 1.892 -14.631 -11.600 1.00 52.15 H new ATOM 0 HB2 TYR A 66 2.268 -12.315 -12.737 1.00 51.35 H new ATOM 0 HB3 TYR A 66 3.805 -12.983 -13.251 1.00 51.35 H new ATOM 0 HD1 TYR A 66 3.657 -15.329 -14.487 1.00 13.12 H new ATOM 0 HD2 TYR A 66 0.405 -12.636 -14.029 1.00 70.21 H new ATOM 0 HE1 TYR A 66 2.516 -16.390 -16.375 1.00 22.11 H new ATOM 0 HE2 TYR A 66 -0.740 -13.686 -15.907 1.00 44.51 H new ATOM 0 HH TYR A 66 -0.771 -15.442 -17.310 1.00 61.31 H new ATOM 1087 N GLU A 67 5.196 -14.633 -11.563 1.00 71.14 N ATOM 1088 CA GLU A 67 6.405 -15.482 -11.519 1.00 51.31 C ATOM 1089 C GLU A 67 6.225 -16.530 -10.479 1.00 53.42 C ATOM 1090 O GLU A 67 6.523 -17.701 -10.703 1.00 23.40 O ATOM 1091 CB GLU A 67 7.616 -14.628 -11.182 1.00 24.43 C ATOM 1092 CG GLU A 67 7.859 -13.519 -12.171 1.00 74.31 C ATOM 1093 CD GLU A 67 8.283 -14.030 -13.543 1.00 75.33 C ATOM 1094 OE1 GLU A 67 9.504 -14.207 -13.759 1.00 1.24 O ATOM 1095 OE2 GLU A 67 7.425 -14.253 -14.419 1.00 25.14 O ATOM 0 H GLU A 67 5.385 -13.644 -11.402 1.00 71.14 H new ATOM 0 HA GLU A 67 6.560 -15.952 -12.490 1.00 51.31 H new ATOM 0 HB2 GLU A 67 7.483 -14.197 -10.190 1.00 24.43 H new ATOM 0 HB3 GLU A 67 8.499 -15.265 -11.137 1.00 24.43 H new ATOM 0 HG2 GLU A 67 6.950 -12.926 -12.275 1.00 74.31 H new ATOM 0 HG3 GLU A 67 8.631 -12.855 -11.782 1.00 74.31 H new ATOM 1102 N GLN A 68 5.707 -16.111 -9.353 1.00 61.22 N ATOM 1103 CA GLN A 68 5.418 -17.022 -8.263 1.00 1.32 C ATOM 1104 C GLN A 68 4.419 -18.092 -8.679 1.00 45.14 C ATOM 1105 O GLN A 68 4.536 -19.215 -8.267 1.00 25.11 O ATOM 1106 CB GLN A 68 4.940 -16.287 -7.012 1.00 54.40 C ATOM 1107 CG GLN A 68 5.996 -15.398 -6.383 1.00 0.21 C ATOM 1108 CD GLN A 68 7.241 -16.169 -5.986 1.00 74.34 C ATOM 1109 OE1 GLN A 68 7.251 -16.682 -4.784 1.00 4.45 O flip ATOM 1110 NE2 GLN A 68 8.186 -16.304 -6.767 1.00 23.10 N flip ATOM 0 H GLN A 68 5.473 -15.137 -9.161 1.00 61.22 H new ATOM 0 HA GLN A 68 6.356 -17.517 -8.012 1.00 1.32 H new ATOM 0 HB2 GLN A 68 4.072 -15.679 -7.268 1.00 54.40 H new ATOM 0 HB3 GLN A 68 4.610 -17.020 -6.276 1.00 54.40 H new ATOM 0 HG2 GLN A 68 6.269 -14.610 -7.085 1.00 0.21 H new ATOM 0 HG3 GLN A 68 5.578 -14.910 -5.502 1.00 0.21 H new ATOM 0 HE21 GLN A 68 8.142 -15.889 -7.698 1.00 23.10 H new ATOM 0 HE22 GLN A 68 9.012 -16.831 -6.482 1.00 23.10 H new ATOM 1119 N GLU A 69 3.450 -17.728 -9.505 1.00 43.44 N ATOM 1120 CA GLU A 69 2.462 -18.681 -10.009 1.00 31.34 C ATOM 1121 C GLU A 69 2.997 -19.612 -11.096 1.00 50.33 C ATOM 1122 O GLU A 69 2.576 -20.762 -11.207 1.00 73.31 O ATOM 1123 CB GLU A 69 1.195 -18.007 -10.432 1.00 3.41 C ATOM 1124 CG GLU A 69 0.454 -17.398 -9.276 1.00 21.13 C ATOM 1125 CD GLU A 69 0.076 -18.415 -8.203 1.00 22.12 C ATOM 1126 OE1 GLU A 69 -0.720 -19.336 -8.496 1.00 42.43 O ATOM 1127 OE2 GLU A 69 0.561 -18.308 -7.058 1.00 52.52 O ATOM 0 H GLU A 69 3.323 -16.775 -9.845 1.00 43.44 H new ATOM 0 HA GLU A 69 2.228 -19.325 -9.161 1.00 31.34 H new ATOM 0 HB2 GLU A 69 1.426 -17.230 -11.161 1.00 3.41 H new ATOM 0 HB3 GLU A 69 0.551 -18.731 -10.931 1.00 3.41 H new ATOM 0 HG2 GLU A 69 1.070 -16.618 -8.828 1.00 21.13 H new ATOM 0 HG3 GLU A 69 -0.451 -16.916 -9.646 1.00 21.13 H new ATOM 1134 N MET A 70 3.891 -19.122 -11.903 1.00 42.11 N ATOM 1135 CA MET A 70 4.544 -19.970 -12.916 1.00 54.35 C ATOM 1136 C MET A 70 5.428 -20.991 -12.210 1.00 52.24 C ATOM 1137 O MET A 70 5.525 -22.159 -12.608 1.00 72.30 O ATOM 1138 CB MET A 70 5.377 -19.116 -13.879 1.00 31.44 C ATOM 1139 CG MET A 70 4.556 -18.114 -14.679 1.00 73.24 C ATOM 1140 SD MET A 70 3.337 -18.900 -15.762 1.00 24.02 S ATOM 1141 CE MET A 70 4.419 -19.781 -16.883 1.00 72.25 C ATOM 0 H MET A 70 4.198 -18.149 -11.898 1.00 42.11 H new ATOM 0 HA MET A 70 3.783 -20.487 -13.500 1.00 54.35 H new ATOM 0 HB2 MET A 70 6.135 -18.578 -13.310 1.00 31.44 H new ATOM 0 HB3 MET A 70 5.904 -19.774 -14.570 1.00 31.44 H new ATOM 0 HG2 MET A 70 4.043 -17.442 -13.991 1.00 73.24 H new ATOM 0 HG3 MET A 70 5.227 -17.502 -15.281 1.00 73.24 H new ATOM 0 HE1 MET A 70 3.873 -20.034 -17.792 1.00 72.25 H new ATOM 0 HE2 MET A 70 5.272 -19.151 -17.136 1.00 72.25 H new ATOM 0 HE3 MET A 70 4.772 -20.695 -16.405 1.00 72.25 H new ATOM 1151 N LEU A 71 6.030 -20.522 -11.150 1.00 70.15 N ATOM 1152 CA LEU A 71 6.883 -21.275 -10.252 1.00 60.31 C ATOM 1153 C LEU A 71 6.034 -22.168 -9.299 1.00 51.53 C ATOM 1154 O LEU A 71 6.515 -23.147 -8.742 1.00 1.40 O ATOM 1155 CB LEU A 71 7.753 -20.251 -9.485 1.00 1.21 C ATOM 1156 CG LEU A 71 8.628 -20.747 -8.329 1.00 12.30 C ATOM 1157 CD1 LEU A 71 9.650 -21.766 -8.803 1.00 31.54 C ATOM 1158 CD2 LEU A 71 9.316 -19.572 -7.656 1.00 41.14 C ATOM 0 H LEU A 71 5.936 -19.546 -10.868 1.00 70.15 H new ATOM 0 HA LEU A 71 7.527 -21.961 -10.802 1.00 60.31 H new ATOM 0 HB2 LEU A 71 8.407 -19.765 -10.209 1.00 1.21 H new ATOM 0 HB3 LEU A 71 7.088 -19.483 -9.090 1.00 1.21 H new ATOM 0 HG LEU A 71 7.983 -21.243 -7.604 1.00 12.30 H new ATOM 0 HD11 LEU A 71 10.253 -22.096 -7.958 1.00 31.54 H new ATOM 0 HD12 LEU A 71 9.135 -22.623 -9.238 1.00 31.54 H new ATOM 0 HD13 LEU A 71 10.296 -21.311 -9.554 1.00 31.54 H new ATOM 0 HD21 LEU A 71 9.936 -19.934 -6.836 1.00 41.14 H new ATOM 0 HD22 LEU A 71 9.942 -19.053 -8.382 1.00 41.14 H new ATOM 0 HD23 LEU A 71 8.565 -18.885 -7.267 1.00 41.14 H new ATOM 1170 N LYS A 72 4.788 -21.784 -9.135 1.00 30.22 N ATOM 1171 CA LYS A 72 3.792 -22.424 -8.251 1.00 10.52 C ATOM 1172 C LYS A 72 3.412 -23.819 -8.749 1.00 31.03 C ATOM 1173 O LYS A 72 2.962 -24.654 -7.968 1.00 51.41 O ATOM 1174 CB LYS A 72 2.552 -21.548 -8.294 1.00 31.51 C ATOM 1175 CG LYS A 72 1.393 -21.858 -7.379 1.00 61.35 C ATOM 1176 CD LYS A 72 1.692 -21.472 -5.955 1.00 23.12 C ATOM 1177 CE LYS A 72 0.414 -21.410 -5.149 1.00 44.13 C ATOM 1178 NZ LYS A 72 -0.557 -20.429 -5.731 1.00 61.53 N ATOM 0 H LYS A 72 4.406 -20.979 -9.631 1.00 30.22 H new ATOM 0 HA LYS A 72 4.204 -22.527 -7.247 1.00 10.52 H new ATOM 0 HB2 LYS A 72 2.867 -20.525 -8.088 1.00 31.51 H new ATOM 0 HB3 LYS A 72 2.175 -21.565 -9.317 1.00 31.51 H new ATOM 0 HG2 LYS A 72 0.506 -21.326 -7.722 1.00 61.35 H new ATOM 0 HG3 LYS A 72 1.165 -22.923 -7.428 1.00 61.35 H new ATOM 0 HD2 LYS A 72 2.375 -22.196 -5.511 1.00 23.12 H new ATOM 0 HD3 LYS A 72 2.193 -20.504 -5.931 1.00 23.12 H new ATOM 0 HE2 LYS A 72 -0.043 -22.399 -5.114 1.00 44.13 H new ATOM 0 HE3 LYS A 72 0.644 -21.129 -4.121 1.00 44.13 H new ATOM 0 HZ1 LYS A 72 -1.291 -20.208 -5.028 1.00 61.53 H new ATOM 0 HZ2 LYS A 72 -0.055 -19.557 -5.993 1.00 61.53 H new ATOM 0 HZ3 LYS A 72 -1.001 -20.840 -6.577 1.00 61.53 H new ATOM 1192 N ASN A 73 3.579 -24.052 -10.051 1.00 23.23 N ATOM 1193 CA ASN A 73 3.183 -25.324 -10.677 1.00 51.05 C ATOM 1194 C ASN A 73 3.909 -26.511 -10.036 1.00 63.33 C ATOM 1195 O ASN A 73 3.292 -27.329 -9.357 1.00 64.24 O ATOM 1196 CB ASN A 73 3.433 -25.293 -12.193 1.00 14.00 C ATOM 1197 CG ASN A 73 2.986 -26.567 -12.930 1.00 63.25 C ATOM 1198 OD1 ASN A 73 3.601 -26.962 -13.923 1.00 73.00 O ATOM 1199 ND2 ASN A 73 1.911 -27.192 -12.488 1.00 2.42 N ATOM 0 H ASN A 73 3.987 -23.377 -10.698 1.00 23.23 H new ATOM 0 HA ASN A 73 2.114 -25.453 -10.508 1.00 51.05 H new ATOM 0 HB2 ASN A 73 2.910 -24.437 -12.619 1.00 14.00 H new ATOM 0 HB3 ASN A 73 4.497 -25.137 -12.372 1.00 14.00 H new ATOM 0 HD21 ASN A 73 1.570 -28.023 -12.970 1.00 2.42 H new ATOM 0 HD22 ASN A 73 1.421 -26.844 -11.664 1.00 2.42 H new ATOM 1206 N GLU A 74 5.195 -26.600 -10.242 1.00 45.23 N ATOM 1207 CA GLU A 74 5.969 -27.656 -9.630 1.00 44.44 C ATOM 1208 C GLU A 74 6.785 -27.065 -8.523 1.00 63.32 C ATOM 1209 O GLU A 74 7.064 -25.866 -8.557 1.00 24.33 O ATOM 1210 CB GLU A 74 6.867 -28.333 -10.641 1.00 11.14 C ATOM 1211 CG GLU A 74 6.123 -28.936 -11.808 1.00 33.31 C ATOM 1212 CD GLU A 74 7.039 -29.680 -12.714 1.00 22.24 C ATOM 1213 OE1 GLU A 74 7.636 -29.059 -13.615 1.00 14.35 O ATOM 1214 OE2 GLU A 74 7.191 -30.900 -12.521 1.00 34.32 O ATOM 0 H GLU A 74 5.731 -25.959 -10.826 1.00 45.23 H new ATOM 0 HA GLU A 74 5.293 -28.415 -9.235 1.00 44.44 H new ATOM 0 HB2 GLU A 74 7.587 -27.607 -11.017 1.00 11.14 H new ATOM 0 HB3 GLU A 74 7.436 -29.117 -10.141 1.00 11.14 H new ATOM 0 HG2 GLU A 74 5.349 -29.609 -11.439 1.00 33.31 H new ATOM 0 HG3 GLU A 74 5.619 -28.147 -12.366 1.00 33.31 H new ATOM 1221 N LYS A 75 7.144 -27.882 -7.524 1.00 52.52 N ATOM 1222 CA LYS A 75 7.904 -27.447 -6.327 1.00 51.44 C ATOM 1223 C LYS A 75 6.999 -26.641 -5.373 1.00 64.14 C ATOM 1224 O LYS A 75 7.036 -26.829 -4.154 1.00 64.43 O ATOM 1225 CB LYS A 75 9.162 -26.645 -6.717 1.00 32.42 C ATOM 1226 CG LYS A 75 9.992 -26.164 -5.545 1.00 51.53 C ATOM 1227 CD LYS A 75 11.151 -25.294 -5.999 1.00 24.03 C ATOM 1228 CE LYS A 75 12.105 -26.039 -6.923 1.00 2.51 C ATOM 1229 NZ LYS A 75 13.250 -25.200 -7.328 1.00 53.12 N ATOM 0 H LYS A 75 6.916 -28.876 -7.517 1.00 52.52 H new ATOM 0 HA LYS A 75 8.242 -28.340 -5.801 1.00 51.44 H new ATOM 0 HB2 LYS A 75 9.788 -27.266 -7.358 1.00 32.42 H new ATOM 0 HB3 LYS A 75 8.857 -25.781 -7.308 1.00 32.42 H new ATOM 0 HG2 LYS A 75 9.360 -25.600 -4.859 1.00 51.53 H new ATOM 0 HG3 LYS A 75 10.375 -27.022 -4.993 1.00 51.53 H new ATOM 0 HD2 LYS A 75 10.763 -24.415 -6.513 1.00 24.03 H new ATOM 0 HD3 LYS A 75 11.698 -24.937 -5.126 1.00 24.03 H new ATOM 0 HE2 LYS A 75 12.471 -26.934 -6.421 1.00 2.51 H new ATOM 0 HE3 LYS A 75 11.566 -26.370 -7.811 1.00 2.51 H new ATOM 0 HZ1 LYS A 75 13.875 -25.745 -7.956 1.00 53.12 H new ATOM 0 HZ2 LYS A 75 12.903 -24.358 -7.830 1.00 53.12 H new ATOM 0 HZ3 LYS A 75 13.780 -24.905 -6.483 1.00 53.12 H new ATOM 1243 N VAL A 76 6.198 -25.756 -5.963 1.00 72.13 N ATOM 1244 CA VAL A 76 5.210 -24.946 -5.291 1.00 60.35 C ATOM 1245 C VAL A 76 5.828 -23.940 -4.326 1.00 51.11 C ATOM 1246 O VAL A 76 6.249 -24.272 -3.204 1.00 33.51 O ATOM 1247 CB VAL A 76 4.143 -25.799 -4.581 1.00 12.21 C ATOM 1248 CG1 VAL A 76 3.097 -24.929 -3.884 1.00 34.52 C ATOM 1249 CG2 VAL A 76 3.480 -26.766 -5.551 1.00 54.20 C ATOM 0 H VAL A 76 6.229 -25.584 -6.968 1.00 72.13 H new ATOM 0 HA VAL A 76 4.714 -24.376 -6.077 1.00 60.35 H new ATOM 0 HB VAL A 76 4.653 -26.381 -3.814 1.00 12.21 H new ATOM 0 HG11 VAL A 76 2.361 -25.567 -3.394 1.00 34.52 H new ATOM 0 HG12 VAL A 76 3.585 -24.300 -3.139 1.00 34.52 H new ATOM 0 HG13 VAL A 76 2.598 -24.299 -4.621 1.00 34.52 H new ATOM 0 HG21 VAL A 76 2.731 -27.355 -5.022 1.00 54.20 H new ATOM 0 HG22 VAL A 76 3.000 -26.205 -6.353 1.00 54.20 H new ATOM 0 HG23 VAL A 76 4.233 -27.431 -5.973 1.00 54.20 H new ATOM 1259 N ALA A 77 5.897 -22.735 -4.778 1.00 21.42 N ATOM 1260 CA ALA A 77 6.363 -21.643 -3.979 1.00 54.22 C ATOM 1261 C ALA A 77 5.177 -20.793 -3.599 1.00 52.13 C ATOM 1262 O ALA A 77 4.675 -20.015 -4.404 1.00 74.24 O ATOM 1263 CB ALA A 77 7.395 -20.819 -4.729 1.00 65.34 C ATOM 0 H ALA A 77 5.628 -22.472 -5.726 1.00 21.42 H new ATOM 0 HA ALA A 77 6.848 -22.028 -3.082 1.00 54.22 H new ATOM 0 HB1 ALA A 77 7.732 -19.996 -4.098 1.00 65.34 H new ATOM 0 HB2 ALA A 77 8.246 -21.449 -4.988 1.00 65.34 H new ATOM 0 HB3 ALA A 77 6.949 -20.419 -5.640 1.00 65.34 H new ATOM 1269 N ALA A 78 4.694 -20.980 -2.407 1.00 51.00 N ATOM 1270 CA ALA A 78 3.551 -20.252 -1.952 1.00 55.52 C ATOM 1271 C ALA A 78 3.973 -18.951 -1.307 1.00 61.44 C ATOM 1272 O ALA A 78 4.525 -18.937 -0.199 1.00 41.42 O ATOM 1273 CB ALA A 78 2.722 -21.089 -0.991 1.00 74.12 C ATOM 0 H ALA A 78 5.079 -21.637 -1.728 1.00 51.00 H new ATOM 0 HA ALA A 78 2.929 -20.019 -2.816 1.00 55.52 H new ATOM 0 HB1 ALA A 78 1.858 -20.513 -0.659 1.00 74.12 H new ATOM 0 HB2 ALA A 78 2.383 -21.994 -1.496 1.00 74.12 H new ATOM 0 HB3 ALA A 78 3.330 -21.361 -0.128 1.00 74.12 H new ATOM 1279 N LYS A 79 3.770 -17.879 -2.017 1.00 73.32 N ATOM 1280 CA LYS A 79 4.030 -16.555 -1.519 1.00 2.23 C ATOM 1281 C LYS A 79 2.997 -15.648 -2.134 1.00 41.15 C ATOM 1282 O LYS A 79 2.785 -15.687 -3.353 1.00 43.22 O ATOM 1283 CB LYS A 79 5.441 -16.080 -1.894 1.00 33.32 C ATOM 1284 CG LYS A 79 5.842 -14.753 -1.248 1.00 61.41 C ATOM 1285 CD LYS A 79 5.883 -14.883 0.268 1.00 44.22 C ATOM 1286 CE LYS A 79 6.255 -13.579 0.948 1.00 73.01 C ATOM 1287 NZ LYS A 79 6.332 -13.733 2.418 1.00 75.12 N ATOM 0 H LYS A 79 3.414 -17.898 -2.973 1.00 73.32 H new ATOM 0 HA LYS A 79 3.973 -16.545 -0.431 1.00 2.23 H new ATOM 0 HB2 LYS A 79 6.160 -16.846 -1.604 1.00 33.32 H new ATOM 0 HB3 LYS A 79 5.503 -15.979 -2.977 1.00 33.32 H new ATOM 0 HG2 LYS A 79 6.819 -14.444 -1.618 1.00 61.41 H new ATOM 0 HG3 LYS A 79 5.133 -13.976 -1.532 1.00 61.41 H new ATOM 0 HD2 LYS A 79 4.909 -15.213 0.629 1.00 44.22 H new ATOM 0 HD3 LYS A 79 6.603 -15.653 0.545 1.00 44.22 H new ATOM 0 HE2 LYS A 79 7.215 -13.231 0.567 1.00 73.01 H new ATOM 0 HE3 LYS A 79 5.518 -12.815 0.700 1.00 73.01 H new ATOM 0 HZ1 LYS A 79 6.588 -12.822 2.850 1.00 75.12 H new ATOM 0 HZ2 LYS A 79 5.409 -14.042 2.784 1.00 75.12 H new ATOM 0 HZ3 LYS A 79 7.053 -14.444 2.655 1.00 75.12 H new ATOM 1301 N MET A 80 2.351 -14.854 -1.332 1.00 75.55 N ATOM 1302 CA MET A 80 1.270 -14.040 -1.824 1.00 41.13 C ATOM 1303 C MET A 80 1.556 -12.540 -1.734 1.00 41.31 C ATOM 1304 O MET A 80 1.671 -11.871 -2.775 1.00 34.40 O ATOM 1305 CB MET A 80 -0.013 -14.400 -1.064 1.00 4.33 C ATOM 1306 CG MET A 80 -1.249 -13.629 -1.478 1.00 13.53 C ATOM 1307 SD MET A 80 -2.700 -14.149 -0.544 1.00 10.23 S ATOM 1308 CE MET A 80 -3.938 -13.063 -1.230 1.00 51.00 C ATOM 0 H MET A 80 2.550 -14.750 -0.337 1.00 75.55 H new ATOM 0 HA MET A 80 1.150 -14.254 -2.886 1.00 41.13 H new ATOM 0 HB2 MET A 80 -0.208 -15.464 -1.197 1.00 4.33 H new ATOM 0 HB3 MET A 80 0.157 -14.237 0.000 1.00 4.33 H new ATOM 0 HG2 MET A 80 -1.081 -12.563 -1.326 1.00 13.53 H new ATOM 0 HG3 MET A 80 -1.430 -13.775 -2.543 1.00 13.53 H new ATOM 0 HE1 MET A 80 -4.899 -13.260 -0.754 1.00 51.00 H new ATOM 0 HE2 MET A 80 -3.651 -12.026 -1.053 1.00 51.00 H new ATOM 0 HE3 MET A 80 -4.022 -13.238 -2.303 1.00 51.00 H new ATOM 1318 N LEU A 81 1.738 -12.049 -0.494 1.00 34.12 N ATOM 1319 CA LEU A 81 1.793 -10.612 -0.157 1.00 72.12 C ATOM 1320 C LEU A 81 0.380 -10.088 -0.311 1.00 64.33 C ATOM 1321 O LEU A 81 -0.129 -9.936 -1.425 1.00 65.14 O ATOM 1322 CB LEU A 81 2.843 -9.821 -1.014 1.00 41.32 C ATOM 1323 CG LEU A 81 3.136 -8.321 -0.671 1.00 71.35 C ATOM 1324 CD1 LEU A 81 4.306 -7.817 -1.500 1.00 52.14 C ATOM 1325 CD2 LEU A 81 1.934 -7.421 -0.926 1.00 21.30 C ATOM 0 H LEU A 81 1.854 -12.653 0.320 1.00 34.12 H new ATOM 0 HA LEU A 81 2.144 -10.469 0.865 1.00 72.12 H new ATOM 0 HB2 LEU A 81 3.788 -10.361 -0.956 1.00 41.32 H new ATOM 0 HB3 LEU A 81 2.516 -9.862 -2.053 1.00 41.32 H new ATOM 0 HG LEU A 81 3.372 -8.281 0.392 1.00 71.35 H new ATOM 0 HD11 LEU A 81 4.503 -6.773 -1.255 1.00 52.14 H new ATOM 0 HD12 LEU A 81 5.191 -8.414 -1.281 1.00 52.14 H new ATOM 0 HD13 LEU A 81 4.064 -7.902 -2.560 1.00 52.14 H new ATOM 0 HD21 LEU A 81 2.190 -6.392 -0.672 1.00 21.30 H new ATOM 0 HD22 LEU A 81 1.654 -7.477 -1.978 1.00 21.30 H new ATOM 0 HD23 LEU A 81 1.097 -7.749 -0.310 1.00 21.30 H new ATOM 1337 N GLU A 82 -0.261 -9.847 0.793 1.00 14.52 N ATOM 1338 CA GLU A 82 -1.653 -9.525 0.773 1.00 44.04 C ATOM 1339 C GLU A 82 -1.931 -8.104 1.200 1.00 50.34 C ATOM 1340 O GLU A 82 -1.727 -7.736 2.356 1.00 71.41 O ATOM 1341 CB GLU A 82 -2.411 -10.486 1.677 1.00 52.04 C ATOM 1342 CG GLU A 82 -3.913 -10.284 1.690 1.00 1.25 C ATOM 1343 CD GLU A 82 -4.594 -11.185 2.678 1.00 13.12 C ATOM 1344 OE1 GLU A 82 -4.727 -12.389 2.406 1.00 62.21 O ATOM 1345 OE2 GLU A 82 -4.979 -10.706 3.759 1.00 13.23 O ATOM 0 H GLU A 82 0.161 -9.868 1.721 1.00 14.52 H new ATOM 0 HA GLU A 82 -1.991 -9.623 -0.259 1.00 44.04 H new ATOM 0 HB2 GLU A 82 -2.197 -11.507 1.361 1.00 52.04 H new ATOM 0 HB3 GLU A 82 -2.034 -10.381 2.694 1.00 52.04 H new ATOM 0 HG2 GLU A 82 -4.137 -9.245 1.933 1.00 1.25 H new ATOM 0 HG3 GLU A 82 -4.312 -10.472 0.693 1.00 1.25 H new ATOM 1352 N LYS A 83 -2.334 -7.302 0.267 1.00 22.42 N ATOM 1353 CA LYS A 83 -2.877 -5.994 0.580 1.00 2.23 C ATOM 1354 C LYS A 83 -4.390 -6.194 0.437 1.00 3.15 C ATOM 1355 O LYS A 83 -5.208 -5.617 1.164 1.00 21.22 O ATOM 1356 CB LYS A 83 -2.372 -4.954 -0.446 1.00 2.41 C ATOM 1357 CG LYS A 83 -2.370 -3.476 0.021 1.00 13.11 C ATOM 1358 CD LYS A 83 -3.735 -2.934 0.441 1.00 71.21 C ATOM 1359 CE LYS A 83 -3.613 -1.480 0.890 1.00 13.40 C ATOM 1360 NZ LYS A 83 -4.886 -0.931 1.408 1.00 14.42 N ATOM 0 H LYS A 83 -2.302 -7.521 -0.729 1.00 22.42 H new ATOM 0 HA LYS A 83 -2.587 -5.630 1.566 1.00 2.23 H new ATOM 0 HB2 LYS A 83 -1.356 -5.223 -0.735 1.00 2.41 H new ATOM 0 HB3 LYS A 83 -2.989 -5.029 -1.342 1.00 2.41 H new ATOM 0 HG2 LYS A 83 -1.681 -3.376 0.860 1.00 13.11 H new ATOM 0 HG3 LYS A 83 -1.981 -2.855 -0.786 1.00 13.11 H new ATOM 0 HD2 LYS A 83 -4.435 -3.007 -0.392 1.00 71.21 H new ATOM 0 HD3 LYS A 83 -4.140 -3.539 1.252 1.00 71.21 H new ATOM 0 HE2 LYS A 83 -2.849 -1.406 1.664 1.00 13.40 H new ATOM 0 HE3 LYS A 83 -3.275 -0.872 0.050 1.00 13.40 H new ATOM 0 HZ1 LYS A 83 -4.710 -0.007 1.852 1.00 14.42 H new ATOM 0 HZ2 LYS A 83 -5.559 -0.816 0.624 1.00 14.42 H new ATOM 0 HZ3 LYS A 83 -5.284 -1.584 2.113 1.00 14.42 H new ATOM 1374 N ASP A 84 -4.708 -7.079 -0.519 1.00 21.01 N ATOM 1375 CA ASP A 84 -6.048 -7.549 -0.859 1.00 70.10 C ATOM 1376 C ASP A 84 -6.890 -6.487 -1.534 1.00 21.02 C ATOM 1377 O ASP A 84 -7.053 -6.513 -2.755 1.00 21.02 O ATOM 1378 CB ASP A 84 -6.780 -8.181 0.329 1.00 70.22 C ATOM 1379 CG ASP A 84 -8.113 -8.776 -0.066 1.00 32.13 C ATOM 1380 OD1 ASP A 84 -8.155 -9.972 -0.439 1.00 34.44 O ATOM 1381 OD2 ASP A 84 -9.132 -8.077 -0.008 1.00 74.50 O ATOM 0 H ASP A 84 -3.992 -7.507 -1.106 1.00 21.01 H new ATOM 0 HA ASP A 84 -5.897 -8.343 -1.590 1.00 70.10 H new ATOM 0 HB2 ASP A 84 -6.154 -8.958 0.767 1.00 70.22 H new ATOM 0 HB3 ASP A 84 -6.936 -7.426 1.100 1.00 70.22 H new ATOM 1386 N ALA A 85 -7.392 -5.545 -0.777 1.00 2.10 N ATOM 1387 CA ALA A 85 -8.260 -4.534 -1.327 1.00 4.35 C ATOM 1388 C ALA A 85 -8.413 -3.384 -0.372 1.00 20.30 C ATOM 1389 O ALA A 85 -7.760 -3.333 0.673 1.00 45.52 O ATOM 1390 CB ALA A 85 -9.628 -5.125 -1.641 1.00 23.23 C ATOM 0 H ALA A 85 -7.215 -5.456 0.224 1.00 2.10 H new ATOM 0 HA ALA A 85 -7.808 -4.166 -2.248 1.00 4.35 H new ATOM 0 HB1 ALA A 85 -10.273 -4.350 -2.056 1.00 23.23 H new ATOM 0 HB2 ALA A 85 -9.518 -5.932 -2.366 1.00 23.23 H new ATOM 0 HB3 ALA A 85 -10.074 -5.517 -0.727 1.00 23.23 H new ATOM 1396 N THR A 86 -9.232 -2.450 -0.756 1.00 4.34 N ATOM 1397 CA THR A 86 -9.586 -1.302 0.025 1.00 64.15 C ATOM 1398 C THR A 86 -10.944 -0.868 -0.515 1.00 53.53 C ATOM 1399 O THR A 86 -11.320 -1.307 -1.604 1.00 32.43 O ATOM 1400 CB THR A 86 -8.540 -0.165 -0.177 1.00 53.20 C ATOM 1401 OG1 THR A 86 -7.216 -0.698 0.051 1.00 43.14 O ATOM 1402 CG2 THR A 86 -8.774 0.979 0.812 1.00 34.41 C ATOM 0 H THR A 86 -9.693 -2.469 -1.666 1.00 4.34 H new ATOM 0 HA THR A 86 -9.615 -1.523 1.092 1.00 64.15 H new ATOM 0 HB THR A 86 -8.640 0.217 -1.193 1.00 53.20 H new ATOM 0 HG1 THR A 86 -7.287 -1.602 0.423 1.00 43.14 H new ATOM 0 HG21 THR A 86 -8.030 1.759 0.649 1.00 34.41 H new ATOM 0 HG22 THR A 86 -9.771 1.392 0.661 1.00 34.41 H new ATOM 0 HG23 THR A 86 -8.687 0.602 1.831 1.00 34.41 H new ATOM 1410 N GLU A 87 -11.695 -0.089 0.211 1.00 41.21 N ATOM 1411 CA GLU A 87 -12.960 0.350 -0.297 1.00 13.20 C ATOM 1412 C GLU A 87 -13.287 1.728 0.202 1.00 32.52 C ATOM 1413 O GLU A 87 -13.471 1.933 1.400 1.00 75.31 O ATOM 1414 CB GLU A 87 -14.083 -0.611 0.104 1.00 0.30 C ATOM 1415 CG GLU A 87 -15.434 -0.251 -0.499 1.00 54.23 C ATOM 1416 CD GLU A 87 -16.536 -1.142 -0.018 1.00 1.32 C ATOM 1417 OE1 GLU A 87 -16.634 -2.285 -0.488 1.00 33.35 O ATOM 1418 OE2 GLU A 87 -17.333 -0.709 0.833 1.00 72.40 O ATOM 0 H GLU A 87 -11.457 0.250 1.143 1.00 41.21 H new ATOM 0 HA GLU A 87 -12.882 0.369 -1.384 1.00 13.20 H new ATOM 0 HB2 GLU A 87 -13.814 -1.621 -0.205 1.00 0.30 H new ATOM 0 HB3 GLU A 87 -14.170 -0.622 1.190 1.00 0.30 H new ATOM 0 HG2 GLU A 87 -15.674 0.783 -0.252 1.00 54.23 H new ATOM 0 HG3 GLU A 87 -15.371 -0.312 -1.585 1.00 54.23 H new ATOM 1425 N VAL A 88 -13.321 2.667 -0.692 1.00 0.41 N ATOM 1426 CA VAL A 88 -13.782 3.989 -0.378 1.00 11.43 C ATOM 1427 C VAL A 88 -15.082 4.219 -1.108 1.00 51.13 C ATOM 1428 O VAL A 88 -15.302 3.644 -2.186 1.00 21.15 O ATOM 1429 CB VAL A 88 -12.758 5.103 -0.737 1.00 40.30 C ATOM 1430 CG1 VAL A 88 -11.480 4.919 0.050 1.00 42.04 C ATOM 1431 CG2 VAL A 88 -12.462 5.142 -2.230 1.00 51.53 C ATOM 0 H VAL A 88 -13.030 2.541 -1.662 1.00 0.41 H new ATOM 0 HA VAL A 88 -13.918 4.050 0.702 1.00 11.43 H new ATOM 0 HB VAL A 88 -13.207 6.059 -0.467 1.00 40.30 H new ATOM 0 HG11 VAL A 88 -10.774 5.707 -0.213 1.00 42.04 H new ATOM 0 HG12 VAL A 88 -11.699 4.969 1.117 1.00 42.04 H new ATOM 0 HG13 VAL A 88 -11.044 3.948 -0.185 1.00 42.04 H new ATOM 0 HG21 VAL A 88 -11.742 5.934 -2.438 1.00 51.53 H new ATOM 0 HG22 VAL A 88 -12.048 4.184 -2.544 1.00 51.53 H new ATOM 0 HG23 VAL A 88 -13.384 5.336 -2.779 1.00 51.53 H new ATOM 1441 N GLY A 89 -15.943 5.013 -0.533 1.00 52.55 N ATOM 1442 CA GLY A 89 -17.216 5.282 -1.140 1.00 3.14 C ATOM 1443 C GLY A 89 -17.102 6.226 -2.305 1.00 51.54 C ATOM 1444 O GLY A 89 -17.283 7.432 -2.151 1.00 43.51 O ATOM 0 H GLY A 89 -15.785 5.486 0.357 1.00 52.55 H new ATOM 0 HA2 GLY A 89 -17.662 4.346 -1.476 1.00 3.14 H new ATOM 0 HA3 GLY A 89 -17.889 5.706 -0.395 1.00 3.14 H new ATOM 1448 N VAL A 90 -16.766 5.689 -3.461 1.00 41.54 N ATOM 1449 CA VAL A 90 -16.676 6.480 -4.669 1.00 51.12 C ATOM 1450 C VAL A 90 -18.075 6.898 -5.076 1.00 41.33 C ATOM 1451 O VAL A 90 -18.868 6.086 -5.574 1.00 1.42 O ATOM 1452 CB VAL A 90 -15.989 5.707 -5.833 1.00 45.10 C ATOM 1453 CG1 VAL A 90 -15.886 6.575 -7.087 1.00 4.14 C ATOM 1454 CG2 VAL A 90 -14.608 5.218 -5.415 1.00 54.13 C ATOM 0 H VAL A 90 -16.550 4.700 -3.588 1.00 41.54 H new ATOM 0 HA VAL A 90 -16.057 7.353 -4.463 1.00 51.12 H new ATOM 0 HB VAL A 90 -16.609 4.842 -6.068 1.00 45.10 H new ATOM 0 HG11 VAL A 90 -15.402 6.009 -7.883 1.00 4.14 H new ATOM 0 HG12 VAL A 90 -16.885 6.871 -7.408 1.00 4.14 H new ATOM 0 HG13 VAL A 90 -15.297 7.465 -6.866 1.00 4.14 H new ATOM 0 HG21 VAL A 90 -14.146 4.681 -6.243 1.00 54.13 H new ATOM 0 HG22 VAL A 90 -13.986 6.071 -5.145 1.00 54.13 H new ATOM 0 HG23 VAL A 90 -14.702 4.552 -4.558 1.00 54.13 H new ATOM 1464 N LYS A 91 -18.391 8.132 -4.826 1.00 14.11 N ATOM 1465 CA LYS A 91 -19.707 8.631 -5.083 1.00 2.32 C ATOM 1466 C LYS A 91 -19.725 9.242 -6.475 1.00 25.15 C ATOM 1467 O LYS A 91 -19.081 10.264 -6.728 1.00 15.30 O ATOM 1468 CB LYS A 91 -20.074 9.671 -3.991 1.00 62.24 C ATOM 1469 CG LYS A 91 -21.563 10.031 -3.856 1.00 24.55 C ATOM 1470 CD LYS A 91 -22.154 10.698 -5.083 1.00 74.31 C ATOM 1471 CE LYS A 91 -23.620 11.013 -4.872 1.00 21.31 C ATOM 1472 NZ LYS A 91 -23.827 11.954 -3.753 1.00 44.15 N ATOM 0 H LYS A 91 -17.745 8.820 -4.439 1.00 14.11 H new ATOM 0 HA LYS A 91 -20.448 7.833 -5.047 1.00 2.32 H new ATOM 0 HB2 LYS A 91 -19.726 9.293 -3.030 1.00 62.24 H new ATOM 0 HB3 LYS A 91 -19.519 10.587 -4.193 1.00 62.24 H new ATOM 0 HG2 LYS A 91 -22.127 9.123 -3.642 1.00 24.55 H new ATOM 0 HG3 LYS A 91 -21.689 10.693 -3.000 1.00 24.55 H new ATOM 0 HD2 LYS A 91 -21.608 11.616 -5.302 1.00 74.31 H new ATOM 0 HD3 LYS A 91 -22.039 10.045 -5.948 1.00 74.31 H new ATOM 0 HE2 LYS A 91 -24.035 11.439 -5.786 1.00 21.31 H new ATOM 0 HE3 LYS A 91 -24.165 10.090 -4.675 1.00 21.31 H new ATOM 0 HZ1 LYS A 91 -24.786 12.353 -3.807 1.00 44.15 H new ATOM 0 HZ2 LYS A 91 -23.712 11.451 -2.850 1.00 44.15 H new ATOM 0 HZ3 LYS A 91 -23.129 12.723 -3.812 1.00 44.15 H new ATOM 1486 N ALA A 92 -20.416 8.602 -7.371 1.00 35.45 N ATOM 1487 CA ALA A 92 -20.523 9.080 -8.721 1.00 64.03 C ATOM 1488 C ALA A 92 -21.672 10.061 -8.812 1.00 61.22 C ATOM 1489 O ALA A 92 -22.817 9.716 -8.489 1.00 23.23 O ATOM 1490 CB ALA A 92 -20.737 7.916 -9.677 1.00 22.20 C ATOM 0 H ALA A 92 -20.921 7.735 -7.189 1.00 35.45 H new ATOM 0 HA ALA A 92 -19.598 9.584 -9.003 1.00 64.03 H new ATOM 0 HB1 ALA A 92 -20.816 8.293 -10.697 1.00 22.20 H new ATOM 0 HB2 ALA A 92 -19.893 7.229 -9.609 1.00 22.20 H new ATOM 0 HB3 ALA A 92 -21.655 7.391 -9.412 1.00 22.20 H new ATOM 1496 N ALA A 93 -21.376 11.281 -9.204 1.00 53.34 N ATOM 1497 CA ALA A 93 -22.398 12.289 -9.342 1.00 24.13 C ATOM 1498 C ALA A 93 -23.226 12.004 -10.576 1.00 0.21 C ATOM 1499 O ALA A 93 -22.688 11.869 -11.678 1.00 41.31 O ATOM 1500 CB ALA A 93 -21.788 13.681 -9.410 1.00 2.44 C ATOM 0 H ALA A 93 -20.433 11.597 -9.433 1.00 53.34 H new ATOM 0 HA ALA A 93 -23.044 12.257 -8.464 1.00 24.13 H new ATOM 0 HB1 ALA A 93 -22.581 14.421 -9.514 1.00 2.44 H new ATOM 0 HB2 ALA A 93 -21.226 13.877 -8.497 1.00 2.44 H new ATOM 0 HB3 ALA A 93 -21.119 13.743 -10.268 1.00 2.44 H new ATOM 1506 N LEU A 94 -24.510 11.901 -10.404 1.00 21.45 N ATOM 1507 CA LEU A 94 -25.387 11.572 -11.500 1.00 61.23 C ATOM 1508 C LEU A 94 -25.729 12.786 -12.338 1.00 32.05 C ATOM 1509 O LEU A 94 -25.698 13.926 -11.852 1.00 52.33 O ATOM 1510 CB LEU A 94 -26.645 10.807 -11.011 1.00 50.21 C ATOM 1511 CG LEU A 94 -27.554 11.470 -9.941 1.00 22.34 C ATOM 1512 CD1 LEU A 94 -28.296 12.693 -10.463 1.00 64.30 C ATOM 1513 CD2 LEU A 94 -28.530 10.458 -9.384 1.00 75.54 C ATOM 0 H LEU A 94 -24.981 12.040 -9.510 1.00 21.45 H new ATOM 0 HA LEU A 94 -24.846 10.894 -12.160 1.00 61.23 H new ATOM 0 HB2 LEU A 94 -27.263 10.595 -11.884 1.00 50.21 H new ATOM 0 HB3 LEU A 94 -26.314 9.847 -10.614 1.00 50.21 H new ATOM 0 HG LEU A 94 -26.898 11.822 -9.145 1.00 22.34 H new ATOM 0 HD11 LEU A 94 -28.914 13.110 -9.668 1.00 64.30 H new ATOM 0 HD12 LEU A 94 -27.576 13.441 -10.794 1.00 64.30 H new ATOM 0 HD13 LEU A 94 -28.930 12.404 -11.301 1.00 64.30 H new ATOM 0 HD21 LEU A 94 -29.161 10.936 -8.635 1.00 75.54 H new ATOM 0 HD22 LEU A 94 -29.153 10.071 -10.190 1.00 75.54 H new ATOM 0 HD23 LEU A 94 -27.980 9.637 -8.925 1.00 75.54 H new ATOM 1525 N GLU A 95 -26.038 12.553 -13.577 1.00 41.54 N ATOM 1526 CA GLU A 95 -26.403 13.612 -14.458 1.00 25.42 C ATOM 1527 C GLU A 95 -27.897 13.631 -14.648 1.00 22.11 C ATOM 1528 O GLU A 95 -28.538 12.573 -14.762 1.00 71.13 O ATOM 1529 CB GLU A 95 -25.676 13.529 -15.825 1.00 53.23 C ATOM 1530 CG GLU A 95 -25.961 12.281 -16.672 1.00 1.53 C ATOM 1531 CD GLU A 95 -25.460 10.999 -16.058 1.00 14.55 C ATOM 1532 OE1 GLU A 95 -24.271 10.682 -16.221 1.00 21.12 O ATOM 1533 OE2 GLU A 95 -26.251 10.288 -15.400 1.00 45.32 O ATOM 0 H GLU A 95 -26.043 11.626 -14.002 1.00 41.54 H new ATOM 0 HA GLU A 95 -26.085 14.546 -13.994 1.00 25.42 H new ATOM 0 HB2 GLU A 95 -25.946 14.408 -16.410 1.00 53.23 H new ATOM 0 HB3 GLU A 95 -24.602 13.583 -15.645 1.00 53.23 H new ATOM 0 HG2 GLU A 95 -27.036 12.200 -16.832 1.00 1.53 H new ATOM 0 HG3 GLU A 95 -25.502 12.407 -17.652 1.00 1.53 H new ATOM 1540 N GLU A 96 -28.453 14.806 -14.650 1.00 12.12 N ATOM 1541 CA GLU A 96 -29.856 14.968 -14.882 1.00 51.10 C ATOM 1542 C GLU A 96 -30.076 15.035 -16.382 1.00 41.31 C ATOM 1543 O GLU A 96 -29.803 16.060 -17.016 1.00 44.32 O ATOM 1544 CB GLU A 96 -30.363 16.244 -14.185 1.00 21.15 C ATOM 1545 CG GLU A 96 -31.849 16.514 -14.347 1.00 1.23 C ATOM 1546 CD GLU A 96 -32.704 15.393 -13.823 1.00 41.02 C ATOM 1547 OE1 GLU A 96 -32.916 15.313 -12.594 1.00 32.01 O ATOM 1548 OE2 GLU A 96 -33.184 14.578 -14.626 1.00 32.42 O ATOM 0 H GLU A 96 -27.947 15.677 -14.491 1.00 12.12 H new ATOM 0 HA GLU A 96 -30.415 14.128 -14.469 1.00 51.10 H new ATOM 0 HB2 GLU A 96 -30.135 16.174 -13.121 1.00 21.15 H new ATOM 0 HB3 GLU A 96 -29.809 17.098 -14.575 1.00 21.15 H new ATOM 0 HG2 GLU A 96 -32.106 17.436 -13.825 1.00 1.23 H new ATOM 0 HG3 GLU A 96 -32.072 16.673 -15.402 1.00 1.23 H new ATOM 1555 N ALA A 97 -30.501 13.945 -16.963 1.00 44.25 N ATOM 1556 CA ALA A 97 -30.670 13.894 -18.386 1.00 12.13 C ATOM 1557 C ALA A 97 -31.881 13.091 -18.785 1.00 72.11 C ATOM 1558 O ALA A 97 -31.800 11.882 -19.014 1.00 10.03 O ATOM 1559 CB ALA A 97 -29.411 13.379 -19.079 1.00 20.14 C ATOM 0 H ALA A 97 -30.736 13.083 -16.472 1.00 44.25 H new ATOM 0 HA ALA A 97 -30.840 14.917 -18.721 1.00 12.13 H new ATOM 0 HB1 ALA A 97 -29.574 13.353 -20.156 1.00 20.14 H new ATOM 0 HB2 ALA A 97 -28.575 14.041 -18.854 1.00 20.14 H new ATOM 0 HB3 ALA A 97 -29.184 12.374 -18.722 1.00 20.14 H new ATOM 1565 N LYS A 98 -33.004 13.755 -18.798 1.00 72.23 N ATOM 1566 CA LYS A 98 -34.236 13.198 -19.252 1.00 63.23 C ATOM 1567 C LYS A 98 -35.118 14.325 -19.741 1.00 44.31 C ATOM 1568 O LYS A 98 -35.138 15.410 -19.144 1.00 44.31 O ATOM 1569 CB LYS A 98 -34.901 12.254 -18.191 1.00 73.21 C ATOM 1570 CG LYS A 98 -35.262 12.845 -16.815 1.00 60.20 C ATOM 1571 CD LYS A 98 -36.474 13.762 -16.860 1.00 22.23 C ATOM 1572 CE LYS A 98 -36.872 14.240 -15.474 1.00 73.55 C ATOM 1573 NZ LYS A 98 -35.819 15.034 -14.814 1.00 23.31 N ATOM 0 H LYS A 98 -33.083 14.722 -18.484 1.00 72.23 H new ATOM 0 HA LYS A 98 -34.056 12.529 -20.094 1.00 63.23 H new ATOM 0 HB2 LYS A 98 -35.814 11.851 -18.630 1.00 73.21 H new ATOM 0 HB3 LYS A 98 -34.228 11.413 -18.026 1.00 73.21 H new ATOM 0 HG2 LYS A 98 -35.455 12.031 -16.116 1.00 60.20 H new ATOM 0 HG3 LYS A 98 -34.407 13.401 -16.429 1.00 60.20 H new ATOM 0 HD2 LYS A 98 -36.255 14.623 -17.492 1.00 22.23 H new ATOM 0 HD3 LYS A 98 -37.312 13.235 -17.317 1.00 22.23 H new ATOM 0 HE2 LYS A 98 -37.779 14.840 -15.549 1.00 73.55 H new ATOM 0 HE3 LYS A 98 -37.112 13.377 -14.853 1.00 73.55 H new ATOM 0 HZ1 LYS A 98 -36.166 15.375 -13.895 1.00 23.31 H new ATOM 0 HZ2 LYS A 98 -34.977 14.441 -14.668 1.00 23.31 H new ATOM 0 HZ3 LYS A 98 -35.570 15.847 -15.413 1.00 23.31 H new ATOM 1587 N LYS A 99 -35.779 14.102 -20.830 1.00 25.04 N ATOM 1588 CA LYS A 99 -36.565 15.124 -21.467 1.00 34.33 C ATOM 1589 C LYS A 99 -37.698 14.457 -22.226 1.00 62.14 C ATOM 1590 O LYS A 99 -37.452 13.595 -23.077 1.00 31.35 O ATOM 1591 CB LYS A 99 -35.641 15.888 -22.446 1.00 34.23 C ATOM 1592 CG LYS A 99 -36.245 17.096 -23.154 1.00 74.13 C ATOM 1593 CD LYS A 99 -36.635 18.183 -22.170 1.00 74.41 C ATOM 1594 CE LYS A 99 -37.066 19.455 -22.882 1.00 44.43 C ATOM 1595 NZ LYS A 99 -35.960 20.057 -23.660 1.00 2.14 N ATOM 0 H LYS A 99 -35.793 13.202 -21.311 1.00 25.04 H new ATOM 0 HA LYS A 99 -36.985 15.818 -20.738 1.00 34.33 H new ATOM 0 HB2 LYS A 99 -34.762 16.221 -21.895 1.00 34.23 H new ATOM 0 HB3 LYS A 99 -35.295 15.186 -23.205 1.00 34.23 H new ATOM 0 HG2 LYS A 99 -35.527 17.494 -23.871 1.00 74.13 H new ATOM 0 HG3 LYS A 99 -37.123 16.785 -23.720 1.00 74.13 H new ATOM 0 HD2 LYS A 99 -37.448 17.827 -21.537 1.00 74.41 H new ATOM 0 HD3 LYS A 99 -35.792 18.400 -21.514 1.00 74.41 H new ATOM 0 HE2 LYS A 99 -37.899 19.233 -23.549 1.00 44.43 H new ATOM 0 HE3 LYS A 99 -37.428 20.176 -22.149 1.00 44.43 H new ATOM 0 HZ1 LYS A 99 -36.193 21.045 -23.888 1.00 2.14 H new ATOM 0 HZ2 LYS A 99 -35.085 20.029 -23.099 1.00 2.14 H new ATOM 0 HZ3 LYS A 99 -35.824 19.521 -24.541 1.00 2.14 H new ATOM 1609 N VAL A 100 -38.917 14.802 -21.917 1.00 53.12 N ATOM 1610 CA VAL A 100 -40.035 14.229 -22.630 1.00 14.21 C ATOM 1611 C VAL A 100 -40.607 15.211 -23.643 1.00 62.51 C ATOM 1612 O VAL A 100 -40.990 16.338 -23.306 1.00 64.32 O ATOM 1613 CB VAL A 100 -41.153 13.654 -21.696 1.00 35.34 C ATOM 1614 CG1 VAL A 100 -40.604 12.509 -20.857 1.00 32.25 C ATOM 1615 CG2 VAL A 100 -41.750 14.726 -20.792 1.00 14.03 C ATOM 0 H VAL A 100 -39.165 15.469 -21.186 1.00 53.12 H new ATOM 0 HA VAL A 100 -39.634 13.371 -23.170 1.00 14.21 H new ATOM 0 HB VAL A 100 -41.952 13.282 -22.337 1.00 35.34 H new ATOM 0 HG11 VAL A 100 -41.392 12.119 -20.213 1.00 32.25 H new ATOM 0 HG12 VAL A 100 -40.247 11.716 -21.514 1.00 32.25 H new ATOM 0 HG13 VAL A 100 -39.779 12.871 -20.243 1.00 32.25 H new ATOM 0 HG21 VAL A 100 -42.521 14.283 -20.162 1.00 14.03 H new ATOM 0 HG22 VAL A 100 -40.967 15.149 -20.163 1.00 14.03 H new ATOM 0 HG23 VAL A 100 -42.190 15.514 -21.403 1.00 14.03 H new ATOM 1625 N GLN A 101 -40.622 14.798 -24.875 1.00 64.25 N ATOM 1626 CA GLN A 101 -41.136 15.598 -25.951 1.00 11.42 C ATOM 1627 C GLN A 101 -42.309 14.889 -26.572 1.00 73.42 C ATOM 1628 O GLN A 101 -42.200 13.718 -26.960 1.00 31.50 O ATOM 1629 CB GLN A 101 -40.046 15.852 -26.998 1.00 75.43 C ATOM 1630 CG GLN A 101 -40.519 16.629 -28.217 1.00 74.25 C ATOM 1631 CD GLN A 101 -39.400 16.924 -29.192 1.00 52.21 C ATOM 1632 OE1 GLN A 101 -39.122 16.143 -30.095 1.00 63.32 O ATOM 1633 NE2 GLN A 101 -38.768 18.050 -29.032 1.00 2.23 N ATOM 0 H GLN A 101 -40.274 13.885 -25.167 1.00 64.25 H new ATOM 0 HA GLN A 101 -41.460 16.564 -25.563 1.00 11.42 H new ATOM 0 HB2 GLN A 101 -39.228 16.398 -26.529 1.00 75.43 H new ATOM 0 HB3 GLN A 101 -39.643 14.894 -27.326 1.00 75.43 H new ATOM 0 HG2 GLN A 101 -41.298 16.061 -28.725 1.00 74.25 H new ATOM 0 HG3 GLN A 101 -40.969 17.567 -27.893 1.00 74.25 H new ATOM 0 HE21 GLN A 101 -39.026 18.676 -28.269 1.00 2.23 H new ATOM 0 HE22 GLN A 101 -38.014 18.307 -29.669 1.00 2.23 H new ATOM 1642 N ILE A 102 -43.413 15.567 -26.646 1.00 24.13 N ATOM 1643 CA ILE A 102 -44.598 15.011 -27.211 1.00 74.12 C ATOM 1644 C ILE A 102 -45.404 16.090 -27.912 1.00 34.24 C ATOM 1645 O ILE A 102 -46.168 16.841 -27.297 1.00 70.13 O ATOM 1646 CB ILE A 102 -45.459 14.205 -26.167 1.00 63.35 C ATOM 1647 CG1 ILE A 102 -46.759 13.666 -26.795 1.00 4.34 C ATOM 1648 CG2 ILE A 102 -45.746 15.017 -24.900 1.00 52.01 C ATOM 1649 CD1 ILE A 102 -46.538 12.723 -27.963 1.00 44.20 C ATOM 0 H ILE A 102 -43.515 16.526 -26.314 1.00 24.13 H new ATOM 0 HA ILE A 102 -44.291 14.277 -27.956 1.00 74.12 H new ATOM 0 HB ILE A 102 -44.858 13.347 -25.865 1.00 63.35 H new ATOM 0 HG12 ILE A 102 -47.333 13.148 -26.027 1.00 4.34 H new ATOM 0 HG13 ILE A 102 -47.364 14.508 -27.131 1.00 4.34 H new ATOM 0 HG21 ILE A 102 -46.342 14.418 -24.211 1.00 52.01 H new ATOM 0 HG22 ILE A 102 -44.805 15.290 -24.422 1.00 52.01 H new ATOM 0 HG23 ILE A 102 -46.295 15.921 -25.164 1.00 52.01 H new ATOM 0 HD11 ILE A 102 -47.501 12.389 -28.348 1.00 44.20 H new ATOM 0 HD12 ILE A 102 -45.992 13.242 -28.751 1.00 44.20 H new ATOM 0 HD13 ILE A 102 -45.961 11.860 -27.630 1.00 44.20 H new ATOM 1661 N GLU A 103 -45.173 16.207 -29.181 1.00 52.55 N ATOM 1662 CA GLU A 103 -45.865 17.160 -29.993 1.00 51.40 C ATOM 1663 C GLU A 103 -46.875 16.462 -30.853 1.00 0.53 C ATOM 1664 O GLU A 103 -46.704 15.289 -31.195 1.00 75.24 O ATOM 1665 CB GLU A 103 -44.882 17.947 -30.847 1.00 30.21 C ATOM 1666 CG GLU A 103 -43.974 18.850 -30.037 1.00 61.15 C ATOM 1667 CD GLU A 103 -42.944 19.535 -30.875 1.00 53.20 C ATOM 1668 OE1 GLU A 103 -43.310 20.287 -31.806 1.00 41.52 O ATOM 1669 OE2 GLU A 103 -41.741 19.353 -30.607 1.00 2.22 O ATOM 0 H GLU A 103 -44.494 15.640 -29.688 1.00 52.55 H new ATOM 0 HA GLU A 103 -46.387 17.863 -29.344 1.00 51.40 H new ATOM 0 HB2 GLU A 103 -44.272 17.250 -31.421 1.00 30.21 H new ATOM 0 HB3 GLU A 103 -45.437 18.551 -31.565 1.00 30.21 H new ATOM 0 HG2 GLU A 103 -44.577 19.600 -29.525 1.00 61.15 H new ATOM 0 HG3 GLU A 103 -43.476 18.261 -29.267 1.00 61.15 H new ATOM 1676 N LEU A 104 -47.926 17.156 -31.171 1.00 54.33 N ATOM 1677 CA LEU A 104 -48.964 16.625 -32.008 1.00 53.30 C ATOM 1678 C LEU A 104 -48.886 17.288 -33.359 1.00 65.25 C ATOM 1679 O LEU A 104 -48.335 18.393 -33.477 1.00 51.32 O ATOM 1680 CB LEU A 104 -50.375 16.818 -31.394 1.00 73.21 C ATOM 1681 CG LEU A 104 -50.693 16.084 -30.065 1.00 63.32 C ATOM 1682 CD1 LEU A 104 -49.905 16.636 -28.881 1.00 70.23 C ATOM 1683 CD2 LEU A 104 -52.182 16.119 -29.785 1.00 63.31 C ATOM 0 H LEU A 104 -48.090 18.112 -30.856 1.00 54.33 H new ATOM 0 HA LEU A 104 -48.809 15.550 -32.103 1.00 53.30 H new ATOM 0 HB2 LEU A 104 -50.526 17.885 -31.231 1.00 73.21 H new ATOM 0 HB3 LEU A 104 -51.109 16.501 -32.135 1.00 73.21 H new ATOM 0 HG LEU A 104 -50.378 15.048 -30.191 1.00 63.32 H new ATOM 0 HD11 LEU A 104 -50.169 16.084 -27.979 1.00 70.23 H new ATOM 0 HD12 LEU A 104 -48.837 16.529 -29.073 1.00 70.23 H new ATOM 0 HD13 LEU A 104 -50.145 17.690 -28.744 1.00 70.23 H new ATOM 0 HD21 LEU A 104 -52.389 15.600 -28.849 1.00 63.31 H new ATOM 0 HD22 LEU A 104 -52.513 17.154 -29.706 1.00 63.31 H new ATOM 0 HD23 LEU A 104 -52.717 15.628 -30.598 1.00 63.31 H new ATOM 1695 N ASP A 105 -49.417 16.643 -34.364 1.00 72.01 N ATOM 1696 CA ASP A 105 -49.350 17.174 -35.710 1.00 62.12 C ATOM 1697 C ASP A 105 -50.422 18.228 -35.879 1.00 21.43 C ATOM 1698 O ASP A 105 -50.127 19.374 -36.202 1.00 34.24 O ATOM 1699 CB ASP A 105 -49.560 16.066 -36.756 1.00 12.14 C ATOM 1700 CG ASP A 105 -48.564 14.931 -36.681 1.00 64.53 C ATOM 1701 OD1 ASP A 105 -48.826 13.945 -35.959 1.00 3.33 O ATOM 1702 OD2 ASP A 105 -47.523 14.984 -37.357 1.00 44.42 O ATOM 0 H ASP A 105 -49.902 15.749 -34.282 1.00 72.01 H new ATOM 0 HA ASP A 105 -48.361 17.607 -35.862 1.00 62.12 H new ATOM 0 HB2 ASP A 105 -50.564 15.659 -36.638 1.00 12.14 H new ATOM 0 HB3 ASP A 105 -49.511 16.510 -37.750 1.00 12.14 H new ATOM 1707 N THR A 106 -51.681 17.829 -35.621 1.00 74.31 N ATOM 1708 CA THR A 106 -52.894 18.702 -35.668 1.00 41.55 C ATOM 1709 C THR A 106 -53.029 19.540 -36.970 1.00 1.13 C ATOM 1710 O THR A 106 -53.827 20.475 -37.044 1.00 35.52 O ATOM 1711 CB THR A 106 -52.969 19.622 -34.427 1.00 62.12 C ATOM 1712 OG1 THR A 106 -51.789 20.437 -34.324 1.00 33.13 O ATOM 1713 CG2 THR A 106 -53.119 18.797 -33.161 1.00 61.34 C ATOM 0 H THR A 106 -51.901 16.866 -35.366 1.00 74.31 H new ATOM 0 HA THR A 106 -53.739 18.014 -35.663 1.00 41.55 H new ATOM 0 HB THR A 106 -53.840 20.268 -34.543 1.00 62.12 H new ATOM 0 HG1 THR A 106 -51.857 21.013 -33.534 1.00 33.13 H new ATOM 0 HG21 THR A 106 -53.170 19.461 -32.298 1.00 61.34 H new ATOM 0 HG22 THR A 106 -54.033 18.205 -33.218 1.00 61.34 H new ATOM 0 HG23 THR A 106 -52.262 18.132 -33.057 1.00 61.34 H new ATOM 1721 N SER A 107 -52.301 19.158 -37.980 1.00 12.32 N ATOM 1722 CA SER A 107 -52.240 19.891 -39.214 1.00 53.50 C ATOM 1723 C SER A 107 -53.329 19.476 -40.199 1.00 15.12 C ATOM 1724 O SER A 107 -53.722 20.267 -41.063 1.00 24.24 O ATOM 1725 CB SER A 107 -50.853 19.702 -39.800 1.00 12.25 C ATOM 1726 OG SER A 107 -50.510 18.314 -39.810 1.00 52.03 O ATOM 0 H SER A 107 -51.724 18.317 -37.970 1.00 12.32 H new ATOM 0 HA SER A 107 -52.424 20.946 -39.013 1.00 53.50 H new ATOM 0 HB2 SER A 107 -50.821 20.100 -40.814 1.00 12.25 H new ATOM 0 HB3 SER A 107 -50.123 20.261 -39.215 1.00 12.25 H new ATOM 0 HG SER A 107 -49.614 18.201 -40.191 1.00 52.03 H new ATOM 1732 N LEU A 108 -53.824 18.237 -40.046 1.00 12.42 N ATOM 1733 CA LEU A 108 -54.854 17.658 -40.936 1.00 13.22 C ATOM 1734 C LEU A 108 -54.314 17.557 -42.367 1.00 30.20 C ATOM 1735 O LEU A 108 -53.095 17.640 -42.575 1.00 15.42 O ATOM 1736 CB LEU A 108 -56.163 18.480 -40.896 1.00 11.43 C ATOM 1737 CG LEU A 108 -56.836 18.616 -39.526 1.00 65.41 C ATOM 1738 CD1 LEU A 108 -58.121 19.418 -39.642 1.00 71.21 C ATOM 1739 CD2 LEU A 108 -57.109 17.250 -38.913 1.00 14.53 C ATOM 0 H LEU A 108 -53.524 17.605 -39.303 1.00 12.42 H new ATOM 0 HA LEU A 108 -55.090 16.656 -40.578 1.00 13.22 H new ATOM 0 HB2 LEU A 108 -55.951 19.480 -41.274 1.00 11.43 H new ATOM 0 HB3 LEU A 108 -56.875 18.024 -41.584 1.00 11.43 H new ATOM 0 HG LEU A 108 -56.153 19.150 -38.865 1.00 65.41 H new ATOM 0 HD11 LEU A 108 -58.586 19.505 -38.660 1.00 71.21 H new ATOM 0 HD12 LEU A 108 -57.896 20.413 -40.026 1.00 71.21 H new ATOM 0 HD13 LEU A 108 -58.805 18.913 -40.324 1.00 71.21 H new ATOM 0 HD21 LEU A 108 -57.587 17.376 -37.941 1.00 14.53 H new ATOM 0 HD22 LEU A 108 -57.767 16.681 -39.570 1.00 14.53 H new ATOM 0 HD23 LEU A 108 -56.169 16.713 -38.788 1.00 14.53 H new ATOM 1751 N SER A 109 -55.204 17.313 -43.327 1.00 32.52 N ATOM 1752 CA SER A 109 -54.848 17.263 -44.745 1.00 52.34 C ATOM 1753 C SER A 109 -53.828 16.143 -45.032 1.00 42.42 C ATOM 1754 O SER A 109 -52.975 16.267 -45.928 1.00 2.30 O ATOM 1755 CB SER A 109 -54.299 18.632 -45.168 1.00 0.13 C ATOM 1756 OG SER A 109 -55.248 19.663 -44.888 1.00 24.10 O ATOM 0 H SER A 109 -56.193 17.144 -43.144 1.00 32.52 H new ATOM 0 HA SER A 109 -55.740 17.033 -45.328 1.00 52.34 H new ATOM 0 HB2 SER A 109 -53.367 18.835 -44.640 1.00 0.13 H new ATOM 0 HB3 SER A 109 -54.067 18.623 -46.233 1.00 0.13 H new ATOM 0 HG SER A 109 -54.881 20.529 -45.162 1.00 24.10 H new ATOM 1762 N TYR A 110 -53.960 15.032 -44.326 1.00 23.43 N ATOM 1763 CA TYR A 110 -53.046 13.917 -44.494 1.00 2.55 C ATOM 1764 C TYR A 110 -53.491 13.109 -45.679 1.00 1.31 C ATOM 1765 O TYR A 110 -54.668 12.773 -45.782 1.00 63.31 O ATOM 1766 CB TYR A 110 -53.001 13.048 -43.230 1.00 72.43 C ATOM 1767 CG TYR A 110 -52.682 13.847 -42.002 1.00 73.30 C ATOM 1768 CD1 TYR A 110 -51.420 14.387 -41.813 1.00 23.50 C ATOM 1769 CD2 TYR A 110 -53.652 14.093 -41.046 1.00 34.34 C ATOM 1770 CE1 TYR A 110 -51.138 15.154 -40.713 1.00 23.42 C ATOM 1771 CE2 TYR A 110 -53.375 14.850 -39.937 1.00 23.15 C ATOM 1772 CZ TYR A 110 -52.120 15.382 -39.777 1.00 54.22 C ATOM 1773 OH TYR A 110 -51.851 16.178 -38.698 1.00 43.40 O ATOM 0 H TYR A 110 -54.691 14.879 -43.632 1.00 23.43 H new ATOM 0 HA TYR A 110 -52.038 14.295 -44.663 1.00 2.55 H new ATOM 0 HB2 TYR A 110 -53.963 12.552 -43.098 1.00 72.43 H new ATOM 0 HB3 TYR A 110 -52.253 12.265 -43.356 1.00 72.43 H new ATOM 0 HD1 TYR A 110 -50.647 14.201 -42.544 1.00 23.50 H new ATOM 0 HD2 TYR A 110 -54.642 13.682 -41.176 1.00 34.34 H new ATOM 0 HE1 TYR A 110 -50.153 15.576 -40.582 1.00 23.42 H new ATOM 0 HE2 TYR A 110 -54.139 15.026 -39.194 1.00 23.15 H new ATOM 0 HH TYR A 110 -51.255 16.907 -38.970 1.00 43.40 H new ATOM 1783 N ILE A 111 -52.538 12.823 -46.564 1.00 71.50 N ATOM 1784 CA ILE A 111 -52.752 12.156 -47.845 1.00 73.13 C ATOM 1785 C ILE A 111 -53.910 12.762 -48.645 1.00 65.21 C ATOM 1786 O ILE A 111 -53.659 13.759 -49.347 1.00 39.89 O ATOM 1787 CB ILE A 111 -52.763 10.582 -47.810 1.00 22.31 C ATOM 1788 CG1 ILE A 111 -52.913 10.040 -49.238 1.00 72.24 C ATOM 1789 CG2 ILE A 111 -53.828 9.997 -46.870 1.00 74.32 C ATOM 1790 CD1 ILE A 111 -52.826 8.554 -49.336 1.00 40.31 C ATOM 1791 OXT ILE A 111 -55.065 12.282 -48.563 1.00 39.89 O ATOM 0 H ILE A 111 -51.559 13.059 -46.402 1.00 71.50 H new ATOM 0 HA ILE A 111 -51.841 12.374 -48.403 1.00 73.13 H new ATOM 0 HB ILE A 111 -51.808 10.258 -47.395 1.00 22.31 H new ATOM 0 HG12 ILE A 111 -53.873 10.365 -49.640 1.00 72.24 H new ATOM 0 HG13 ILE A 111 -52.139 10.481 -49.866 1.00 72.24 H new ATOM 0 HG21 ILE A 111 -53.778 8.908 -46.896 1.00 74.32 H new ATOM 0 HG22 ILE A 111 -53.646 10.344 -45.853 1.00 74.32 H new ATOM 0 HG23 ILE A 111 -54.817 10.323 -47.193 1.00 74.32 H new ATOM 0 HD11 ILE A 111 -52.941 8.251 -50.377 1.00 40.31 H new ATOM 0 HD12 ILE A 111 -51.856 8.221 -48.966 1.00 40.31 H new ATOM 0 HD13 ILE A 111 -53.617 8.103 -48.737 1.00 40.31 H new TER 1803 ILE A 111