USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1249 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 68 SER OG : rot 20:sc=0.000425 USER MOD Set 1.2: A 71 CYS SG : rot -43:sc= 0.837 USER MOD Set 2.1: A 38 THR OG1 : rot 133:sc= 1.17 USER MOD Set 2.2: A 120 GLN : amide:sc= 0.953 K(o=2.1,f=-0.37) USER MOD Set 3.1: A 16 ASN : amide:sc= -0.362 K(o=-2.5,f=-1.5) USER MOD Set 3.2: A 60 GLN : amide:sc= -2.17! K(o=-2.5!,f=-1.5) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0173) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot -160:sc= 0 USER MOD Single : A 18 THR OG1 : rot 86:sc= 1.48 USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= 2 (180deg=-0.478) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.0352 (180deg=-0.0352) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.07) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 172:sc= -7.1! (180deg=-7.27!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0.912 (180deg=0.912) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0326 (180deg=-0.292) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 50 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.24) USER MOD Single : A 52 LYS NZ :NH3+ -118:sc= 1.11 (180deg=-0.241) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 58 ASN : amide:sc= -0.759 K(o=-0.76,f=-1.8!) USER MOD Single : A 61 SER OG : rot -24:sc= 0.141 USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= -0.152 (180deg=-0.627) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.0172 (180deg=-0.165) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.8!) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0.837 (180deg=0.318) USER MOD Single : A 78 LYS NZ :NH3+ -114:sc=-0.00322 (180deg=-1.48!) USER MOD Single : A 81 LYS NZ :NH3+ -148:sc= 1.23 (180deg=0.934) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc=-0.00632 (180deg=-0.0174) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 88 GLN : amide:sc= -1.78! C(o=-1.8!,f=-11!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= 0.585 (180deg=0.0887) USER MOD Single : A 101 TYR OH : rot 15:sc= -1.12 USER MOD Single : A 104 LYS NZ :NH3+ -178:sc= -0.586 (180deg=-0.636) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -149:sc= 0.348 (180deg=0.0524) USER MOD Single : A 109 MET CE :methyl -166:sc= -0.17 (180deg=-0.647) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 153:sc= -3.24! (180deg=-5.74!) USER MOD Single : A 126 SER OG : rot 94:sc= 0.659 USER MOD Single : A 130 LYS NZ :NH3+ -135:sc= 1.22 (180deg=0.725) USER MOD Single : A 132 SER OG : rot 133:sc= -1.49 USER MOD Single : A 133 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 149:sc= -2.89 (180deg=-9.41!) USER MOD Single : A 142 LYS NZ :NH3+ -169:sc= 0.996 (180deg=0.884) USER MOD Single : A 144 MET CE :methyl 171:sc= -0.166 (180deg=-0.304) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot -174:sc= -1.59! USER MOD Single : A 157 SER OG : rot -140:sc= -4.36! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -12.769 -7.491 -7.801 1.00 0.53 N ATOM 34 CA LYS A 5 -12.586 -7.949 -6.422 1.00 0.46 C ATOM 35 C LYS A 5 -11.226 -7.532 -5.879 1.00 0.34 C ATOM 36 O LYS A 5 -10.198 -7.758 -6.513 1.00 0.39 O ATOM 37 CB LYS A 5 -12.701 -9.470 -6.342 1.00 0.54 C ATOM 38 CG LYS A 5 -12.696 -10.008 -4.917 1.00 0.60 C ATOM 39 CD LYS A 5 -12.304 -11.477 -4.869 1.00 0.89 C ATOM 40 CE LYS A 5 -13.232 -12.348 -5.704 1.00 1.36 C ATOM 41 NZ LYS A 5 -14.619 -12.365 -5.172 1.00 1.61 N ATOM 0 HA LYS A 5 -13.369 -7.487 -5.820 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -13.621 -9.783 -6.836 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -11.874 -9.918 -6.893 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -12.001 -9.426 -4.311 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.685 -9.881 -4.477 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -11.281 -11.590 -5.229 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -12.318 -11.821 -3.835 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -13.243 -11.983 -6.731 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -12.844 -13.366 -5.732 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -15.198 -13.023 -5.732 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -14.606 -12.674 -4.179 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -15.026 -11.410 -5.232 1.00 1.61 H new ATOM 55 N GLY A 6 -11.221 -6.924 -4.709 1.00 0.26 N ATOM 56 CA GLY A 6 -9.967 -6.529 -4.103 1.00 0.20 C ATOM 57 C GLY A 6 -10.116 -5.306 -3.230 1.00 0.17 C ATOM 58 O GLY A 6 -11.196 -5.052 -2.698 1.00 0.24 O ATOM 0 H GLY A 6 -12.055 -6.696 -4.168 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.578 -7.354 -3.506 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.235 -6.328 -4.885 1.00 0.20 H new ATOM 62 N ALA A 7 -9.037 -4.552 -3.082 1.00 0.15 N ATOM 63 CA ALA A 7 -9.066 -3.310 -2.317 1.00 0.14 C ATOM 64 C ALA A 7 -8.500 -2.162 -3.139 1.00 0.14 C ATOM 65 O ALA A 7 -7.691 -2.381 -4.034 1.00 0.18 O ATOM 66 CB ALA A 7 -8.289 -3.462 -1.022 1.00 0.16 C ATOM 0 H ALA A 7 -8.126 -4.778 -3.482 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.104 -3.084 -2.074 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.322 -2.525 -0.466 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.733 -4.256 -0.422 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.253 -3.714 -1.247 1.00 0.16 H new ATOM 72 N TYR A 8 -8.933 -0.948 -2.842 1.00 0.12 N ATOM 73 CA TYR A 8 -8.446 0.236 -3.542 1.00 0.13 C ATOM 74 C TYR A 8 -7.989 1.299 -2.554 1.00 0.12 C ATOM 75 O TYR A 8 -8.694 1.608 -1.595 1.00 0.13 O ATOM 76 CB TYR A 8 -9.529 0.809 -4.465 1.00 0.16 C ATOM 77 CG TYR A 8 -9.534 0.202 -5.855 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.548 0.522 -6.779 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.531 -0.671 -6.250 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.559 -0.012 -8.053 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.547 -1.212 -7.522 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.561 -0.879 -8.418 1.00 0.45 C ATOM 83 OH TYR A 8 -9.581 -1.416 -9.683 1.00 0.57 O ATOM 0 H TYR A 8 -9.624 -0.753 -2.118 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.593 -0.065 -4.150 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.505 0.651 -4.006 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.388 1.886 -4.550 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.757 1.201 -6.496 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.312 -0.935 -5.552 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.784 0.250 -8.758 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.333 -1.895 -7.810 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.356 -2.009 -9.774 1.00 0.57 H new ATOM 93 N LEU A 9 -6.798 1.828 -2.790 1.00 0.12 N ATOM 94 CA LEU A 9 -6.264 2.930 -2.002 1.00 0.12 C ATOM 95 C LEU A 9 -6.743 4.225 -2.623 1.00 0.11 C ATOM 96 O LEU A 9 -6.462 4.497 -3.783 1.00 0.13 O ATOM 97 CB LEU A 9 -4.730 2.878 -1.990 1.00 0.12 C ATOM 98 CG LEU A 9 -4.003 3.805 -1.001 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.043 5.250 -1.453 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.574 3.660 0.396 1.00 0.12 C ATOM 0 H LEU A 9 -6.175 1.507 -3.531 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.610 2.859 -0.971 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.428 1.853 -1.776 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.376 3.111 -2.994 1.00 0.12 H new ATOM 0 HG LEU A 9 -2.957 3.499 -0.977 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.519 5.873 -0.728 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.559 5.340 -2.426 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.079 5.578 -1.531 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.043 4.326 1.077 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.632 3.920 0.385 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.457 2.630 0.732 1.00 0.12 H new ATOM 112 N VAL A 10 -7.464 5.014 -1.864 1.00 0.12 N ATOM 113 CA VAL A 10 -8.071 6.215 -2.400 1.00 0.14 C ATOM 114 C VAL A 10 -7.593 7.449 -1.652 1.00 0.16 C ATOM 115 O VAL A 10 -7.386 7.407 -0.441 1.00 0.14 O ATOM 116 CB VAL A 10 -9.614 6.163 -2.333 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.216 6.749 -3.601 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.123 4.743 -2.090 1.00 0.16 C ATOM 0 H VAL A 10 -7.647 4.849 -0.874 1.00 0.12 H new ATOM 0 HA VAL A 10 -7.765 6.274 -3.445 1.00 0.14 H new ATOM 0 HB VAL A 10 -9.933 6.767 -1.484 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.304 6.706 -3.541 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -9.899 7.786 -3.709 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -9.877 6.175 -4.463 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.212 4.749 -2.049 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -9.794 4.095 -2.902 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.727 4.371 -1.145 1.00 0.16 H new ATOM 128 N PHE A 11 -7.393 8.530 -2.388 1.00 0.23 N ATOM 129 CA PHE A 11 -7.105 9.824 -1.791 1.00 0.27 C ATOM 130 C PHE A 11 -8.386 10.631 -1.711 1.00 0.33 C ATOM 131 O PHE A 11 -9.080 10.810 -2.714 1.00 0.42 O ATOM 132 CB PHE A 11 -6.068 10.588 -2.616 1.00 0.35 C ATOM 133 CG PHE A 11 -5.804 11.992 -2.131 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.104 12.222 -0.955 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.249 13.083 -2.862 1.00 0.72 C ATOM 136 CE1 PHE A 11 -4.856 13.510 -0.522 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.004 14.373 -2.428 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.306 14.586 -1.258 1.00 0.90 C ATOM 0 H PHE A 11 -7.425 8.536 -3.407 1.00 0.23 H new ATOM 0 HA PHE A 11 -6.699 9.666 -0.792 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.131 10.031 -2.608 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -6.404 10.631 -3.652 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -4.749 11.385 -0.372 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -6.793 12.923 -3.781 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.309 13.675 0.394 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -6.359 15.214 -3.005 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.112 15.593 -0.919 1.00 0.90 H new ATOM 148 N ASP A 12 -8.706 11.108 -0.529 1.00 0.32 N ATOM 149 CA ASP A 12 -9.899 11.906 -0.348 1.00 0.39 C ATOM 150 C ASP A 12 -9.528 13.273 0.199 1.00 0.41 C ATOM 151 O ASP A 12 -8.504 13.426 0.863 1.00 0.36 O ATOM 152 CB ASP A 12 -10.876 11.205 0.592 1.00 0.42 C ATOM 153 CG ASP A 12 -12.224 11.888 0.618 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.039 11.639 -0.290 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.482 12.668 1.557 1.00 0.61 O ATOM 0 H ASP A 12 -8.159 10.958 0.319 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.386 12.032 -1.315 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.001 10.169 0.279 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.460 11.186 1.599 1.00 0.42 H new ATOM 160 N ASN A 13 -10.365 14.262 -0.079 1.00 0.52 N ATOM 161 CA ASN A 13 -10.058 15.643 0.264 1.00 0.56 C ATOM 162 C ASN A 13 -10.443 15.958 1.703 1.00 0.57 C ATOM 163 O ASN A 13 -10.250 17.084 2.167 1.00 0.65 O ATOM 164 CB ASN A 13 -10.768 16.604 -0.694 1.00 0.71 C ATOM 165 CG ASN A 13 -10.425 16.327 -2.146 1.00 1.50 C ATOM 166 OD1 ASN A 13 -11.095 15.537 -2.811 1.00 2.37 O ATOM 167 ND2 ASN A 13 -9.383 16.972 -2.648 1.00 2.16 N ATOM 0 H ASN A 13 -11.264 14.133 -0.542 1.00 0.52 H new ATOM 0 HA ASN A 13 -8.981 15.776 0.166 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -11.846 16.521 -0.555 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -10.493 17.629 -0.447 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -9.110 16.822 -3.619 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -8.854 17.619 -2.063 1.00 2.16 H new ATOM 174 N ALA A 14 -10.998 14.975 2.404 1.00 0.55 N ATOM 175 CA ALA A 14 -11.267 15.119 3.827 1.00 0.59 C ATOM 176 C ALA A 14 -9.965 15.379 4.565 1.00 0.66 C ATOM 177 O ALA A 14 -8.954 14.729 4.286 1.00 1.31 O ATOM 178 CB ALA A 14 -11.945 13.876 4.378 1.00 0.60 C ATOM 0 H ALA A 14 -11.269 14.074 2.010 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.941 15.963 3.973 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -12.136 14.007 5.443 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.889 13.715 3.857 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -11.297 13.012 4.229 1.00 0.60 H new ATOM 184 N SER A 15 -9.977 16.353 5.470 1.00 0.60 N ATOM 185 CA SER A 15 -8.776 16.736 6.209 1.00 0.54 C ATOM 186 C SER A 15 -7.683 17.214 5.248 1.00 0.52 C ATOM 187 O SER A 15 -6.497 17.203 5.581 1.00 0.53 O ATOM 188 CB SER A 15 -8.270 15.556 7.047 1.00 0.53 C ATOM 189 OG SER A 15 -9.247 15.132 7.986 1.00 1.23 O ATOM 0 H SER A 15 -10.808 16.894 5.711 1.00 0.60 H new ATOM 0 HA SER A 15 -9.029 17.558 6.879 1.00 0.54 H new ATOM 0 HB2 SER A 15 -8.010 14.726 6.390 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.359 15.844 7.572 1.00 0.53 H new ATOM 0 HG SER A 15 -8.814 14.618 8.699 1.00 1.23 H new ATOM 195 N ASN A 16 -8.108 17.619 4.047 1.00 0.53 N ATOM 196 CA ASN A 16 -7.206 18.049 2.975 1.00 0.57 C ATOM 197 C ASN A 16 -6.249 16.936 2.568 1.00 0.52 C ATOM 198 O ASN A 16 -5.182 17.189 2.007 1.00 0.68 O ATOM 199 CB ASN A 16 -6.430 19.301 3.367 1.00 0.66 C ATOM 200 CG ASN A 16 -7.290 20.551 3.332 1.00 0.76 C ATOM 201 OD1 ASN A 16 -8.487 20.507 3.622 1.00 1.08 O ATOM 202 ND2 ASN A 16 -6.692 21.675 2.973 1.00 1.30 N ATOM 0 H ASN A 16 -9.094 17.658 3.790 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.829 18.291 2.114 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -6.021 19.173 4.369 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.584 19.427 2.692 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.224 22.544 2.929 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -5.699 21.672 2.740 1.00 1.30 H new ATOM 209 N GLY A 17 -6.642 15.704 2.852 1.00 0.39 N ATOM 210 CA GLY A 17 -5.835 14.564 2.494 1.00 0.34 C ATOM 211 C GLY A 17 -6.109 13.385 3.391 1.00 0.28 C ATOM 212 O GLY A 17 -5.633 13.335 4.519 1.00 0.29 O ATOM 0 H GLY A 17 -7.514 15.475 3.329 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -6.034 14.288 1.459 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.780 14.831 2.556 1.00 0.34 H new ATOM 216 N THR A 18 -6.902 12.456 2.905 1.00 0.27 N ATOM 217 CA THR A 18 -7.170 11.226 3.629 1.00 0.24 C ATOM 218 C THR A 18 -6.934 10.026 2.729 1.00 0.18 C ATOM 219 O THR A 18 -7.197 10.081 1.528 1.00 0.19 O ATOM 220 CB THR A 18 -8.616 11.178 4.169 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.836 12.250 5.095 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.890 9.849 4.858 1.00 0.33 C ATOM 0 H THR A 18 -7.377 12.527 2.005 1.00 0.27 H new ATOM 0 HA THR A 18 -6.487 11.197 4.478 1.00 0.24 H new ATOM 0 HB THR A 18 -9.296 11.285 3.324 1.00 0.30 H new ATOM 0 HG1 THR A 18 -9.100 13.056 4.605 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.914 9.837 5.231 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.753 9.035 4.146 1.00 0.33 H new ATOM 0 HG23 THR A 18 -8.199 9.722 5.691 1.00 0.33 H new ATOM 230 N LEU A 19 -6.422 8.956 3.309 1.00 0.15 N ATOM 231 CA LEU A 19 -6.234 7.729 2.601 1.00 0.13 C ATOM 232 C LEU A 19 -7.295 6.726 2.993 1.00 0.14 C ATOM 233 O LEU A 19 -7.591 6.538 4.173 1.00 0.21 O ATOM 234 CB LEU A 19 -4.857 7.190 2.896 1.00 0.14 C ATOM 235 CG LEU A 19 -4.032 6.951 1.663 1.00 0.24 C ATOM 236 CD1 LEU A 19 -3.884 8.236 0.866 1.00 0.54 C ATOM 237 CD2 LEU A 19 -2.680 6.378 2.039 1.00 0.58 C ATOM 0 H LEU A 19 -6.128 8.926 4.285 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.324 7.912 1.530 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.332 7.891 3.545 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -4.952 6.255 3.448 1.00 0.14 H new ATOM 0 HG LEU A 19 -4.543 6.224 1.032 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -3.284 8.045 -0.024 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -4.869 8.595 0.569 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -3.393 8.991 1.480 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -2.092 6.210 1.136 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -2.155 7.079 2.688 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -2.819 5.433 2.563 1.00 0.58 H new ATOM 249 N PHE A 20 -7.856 6.091 1.992 1.00 0.13 N ATOM 250 CA PHE A 20 -9.004 5.230 2.164 1.00 0.14 C ATOM 251 C PHE A 20 -8.758 3.882 1.495 1.00 0.13 C ATOM 252 O PHE A 20 -8.325 3.820 0.352 1.00 0.12 O ATOM 253 CB PHE A 20 -10.228 5.980 1.584 1.00 0.15 C ATOM 254 CG PHE A 20 -11.464 5.172 1.277 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.746 4.004 1.944 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.354 5.615 0.310 1.00 0.17 C ATOM 257 CE1 PHE A 20 -12.885 3.281 1.660 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.497 4.897 0.018 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.762 3.727 0.695 1.00 0.19 C ATOM 0 H PHE A 20 -7.528 6.157 1.029 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.190 5.009 3.215 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.506 6.764 2.289 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -9.914 6.475 0.665 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.065 3.647 2.702 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.151 6.533 -0.221 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.090 2.365 2.194 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.181 5.252 -0.739 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.654 3.161 0.470 1.00 0.19 H new ATOM 269 N ILE A 21 -8.990 2.807 2.238 1.00 0.15 N ATOM 270 CA ILE A 21 -8.904 1.465 1.688 1.00 0.16 C ATOM 271 C ILE A 21 -10.301 0.874 1.568 1.00 0.18 C ATOM 272 O ILE A 21 -10.958 0.550 2.561 1.00 0.23 O ATOM 273 CB ILE A 21 -7.986 0.542 2.530 1.00 0.20 C ATOM 274 CG1 ILE A 21 -7.998 -0.883 1.970 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.401 0.537 3.993 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.027 -1.816 2.660 1.00 0.28 C ATOM 0 H ILE A 21 -9.240 2.842 3.226 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.452 1.536 0.699 1.00 0.16 H new ATOM 0 HB ILE A 21 -6.971 0.936 2.468 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.005 -1.290 2.059 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -7.761 -0.848 0.907 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.738 -0.119 4.557 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.336 1.549 4.393 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.427 0.178 4.079 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.092 -2.807 2.210 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.013 -1.433 2.549 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.276 -1.882 3.719 1.00 0.28 H new ATOM 288 N VAL A 22 -10.766 0.778 0.342 1.00 0.16 N ATOM 289 CA VAL A 22 -12.106 0.302 0.078 1.00 0.18 C ATOM 290 C VAL A 22 -12.115 -1.208 -0.126 1.00 0.18 C ATOM 291 O VAL A 22 -11.353 -1.748 -0.933 1.00 0.22 O ATOM 292 CB VAL A 22 -12.714 1.008 -1.154 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.883 0.750 -2.377 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.163 0.587 -1.372 1.00 0.24 C ATOM 0 H VAL A 22 -10.233 1.025 -0.492 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.718 0.540 0.948 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.710 2.081 -0.964 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.329 1.256 -3.233 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.873 1.128 -2.217 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.843 -0.322 -2.570 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.564 1.100 -2.246 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.209 -0.490 -1.531 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.754 0.849 -0.495 1.00 0.24 H new ATOM 304 N TRP A 23 -12.956 -1.888 0.631 1.00 0.19 N ATOM 305 CA TRP A 23 -13.137 -3.313 0.458 1.00 0.21 C ATOM 306 C TRP A 23 -14.473 -3.580 -0.203 1.00 0.24 C ATOM 307 O TRP A 23 -15.534 -3.433 0.403 1.00 0.27 O ATOM 308 CB TRP A 23 -13.003 -4.054 1.788 1.00 0.23 C ATOM 309 CG TRP A 23 -11.573 -4.237 2.176 1.00 0.23 C ATOM 310 CD1 TRP A 23 -10.910 -3.634 3.203 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.614 -5.063 1.504 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.598 -4.045 3.220 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.393 -4.920 2.182 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.674 -5.913 0.395 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.242 -5.596 1.787 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.528 -6.579 0.004 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.325 -6.415 0.699 1.00 0.27 C ATOM 0 H TRP A 23 -13.523 -1.475 1.371 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.350 -3.694 -0.193 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.524 -3.499 2.568 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.487 -5.028 1.713 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.350 -2.937 3.900 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -8.892 -3.748 3.894 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.599 -6.046 -0.146 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.313 -5.476 2.325 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.562 -7.237 -0.852 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.445 -6.947 0.368 1.00 0.27 H new ATOM 328 N LYS A 24 -14.397 -3.963 -1.460 1.00 0.25 N ATOM 329 CA LYS A 24 -15.562 -4.077 -2.312 1.00 0.28 C ATOM 330 C LYS A 24 -15.434 -5.299 -3.201 1.00 0.33 C ATOM 331 O LYS A 24 -14.396 -5.961 -3.231 1.00 0.39 O ATOM 332 CB LYS A 24 -15.704 -2.843 -3.202 1.00 0.29 C ATOM 333 CG LYS A 24 -14.671 -2.809 -4.295 1.00 0.35 C ATOM 334 CD LYS A 24 -13.369 -2.214 -3.803 1.00 0.61 C ATOM 335 CE LYS A 24 -12.171 -2.925 -4.393 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.292 -3.125 -5.856 1.00 1.36 N ATOM 0 H LYS A 24 -13.521 -4.205 -1.922 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.440 -4.166 -1.672 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.700 -2.829 -3.645 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.614 -1.944 -2.591 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.495 -3.820 -4.664 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.046 -2.224 -5.135 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.330 -1.157 -4.065 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.329 -2.275 -2.715 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -11.270 -2.348 -4.182 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -12.051 -3.893 -3.906 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -12.110 -4.123 -6.086 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -13.252 -2.868 -6.163 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -11.599 -2.524 -6.347 1.00 1.36 H new ATOM 350 N LYS A 25 -16.487 -5.564 -3.940 1.00 0.36 N ATOM 351 CA LYS A 25 -16.535 -6.691 -4.844 1.00 0.42 C ATOM 352 C LYS A 25 -16.731 -6.162 -6.257 1.00 0.45 C ATOM 353 O LYS A 25 -17.134 -6.884 -7.171 1.00 0.56 O ATOM 354 CB LYS A 25 -17.684 -7.639 -4.469 1.00 0.49 C ATOM 355 CG LYS A 25 -17.640 -8.180 -3.046 1.00 0.67 C ATOM 356 CD LYS A 25 -18.137 -7.160 -2.038 1.00 0.70 C ATOM 357 CE LYS A 25 -18.626 -7.828 -0.769 1.00 0.94 C ATOM 358 NZ LYS A 25 -19.300 -6.865 0.144 1.00 1.94 N ATOM 0 H LYS A 25 -17.338 -5.002 -3.931 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.604 -7.254 -4.779 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.628 -7.114 -4.612 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.680 -8.481 -5.161 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -18.249 -9.081 -2.981 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.618 -8.467 -2.798 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -17.334 -6.463 -1.798 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -18.945 -6.576 -2.478 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -19.318 -8.630 -1.025 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -17.783 -8.287 -0.253 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -19.619 -7.363 1.000 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -18.632 -6.113 0.410 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -20.120 -6.445 -0.338 1.00 1.94 H new ATOM 372 N GLU A 26 -16.440 -4.878 -6.413 1.00 0.40 N ATOM 373 CA GLU A 26 -16.633 -4.184 -7.678 1.00 0.45 C ATOM 374 C GLU A 26 -15.436 -3.289 -7.979 1.00 0.41 C ATOM 375 O GLU A 26 -14.521 -3.182 -7.170 1.00 0.42 O ATOM 376 CB GLU A 26 -17.914 -3.355 -7.628 1.00 0.49 C ATOM 377 CG GLU A 26 -17.925 -2.302 -6.531 1.00 1.23 C ATOM 378 CD GLU A 26 -19.242 -1.566 -6.457 1.00 1.20 C ATOM 379 OE1 GLU A 26 -19.393 -0.535 -7.146 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.136 -2.008 -5.700 1.00 1.19 O ATOM 0 H GLU A 26 -16.065 -4.290 -5.669 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.722 -4.923 -8.474 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -18.055 -2.864 -8.591 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.762 -4.024 -7.484 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.723 -2.778 -5.571 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -17.121 -1.587 -6.708 1.00 1.23 H new ATOM 387 N LYS A 27 -15.432 -2.666 -9.144 1.00 0.48 N ATOM 388 CA LYS A 27 -14.345 -1.774 -9.521 1.00 0.49 C ATOM 389 C LYS A 27 -14.497 -0.401 -8.878 1.00 0.47 C ATOM 390 O LYS A 27 -15.597 0.145 -8.794 1.00 0.68 O ATOM 391 CB LYS A 27 -14.261 -1.631 -11.044 1.00 0.64 C ATOM 392 CG LYS A 27 -15.579 -1.255 -11.710 1.00 1.53 C ATOM 393 CD LYS A 27 -15.402 -1.007 -13.200 1.00 1.71 C ATOM 394 CE LYS A 27 -14.721 0.327 -13.474 1.00 1.60 C ATOM 395 NZ LYS A 27 -15.615 1.480 -13.189 1.00 2.35 N ATOM 0 H LYS A 27 -16.167 -2.760 -9.845 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.420 -2.220 -9.155 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -13.516 -0.873 -11.286 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -13.908 -2.572 -11.467 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -16.305 -2.053 -11.557 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -15.984 -0.360 -11.237 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -14.811 -1.813 -13.635 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -16.376 -1.026 -13.690 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -13.822 0.407 -12.863 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -14.403 0.364 -14.516 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -15.187 2.352 -13.561 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -16.537 1.326 -13.645 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -15.748 1.571 -12.162 1.00 2.35 H new ATOM 409 N VAL A 28 -13.379 0.129 -8.403 1.00 0.43 N ATOM 410 CA VAL A 28 -13.322 1.478 -7.857 1.00 0.42 C ATOM 411 C VAL A 28 -12.304 2.285 -8.648 1.00 0.40 C ATOM 412 O VAL A 28 -11.210 1.795 -8.933 1.00 0.51 O ATOM 413 CB VAL A 28 -12.909 1.492 -6.365 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.885 2.914 -5.822 1.00 1.16 C ATOM 415 CG2 VAL A 28 -13.825 0.613 -5.525 1.00 1.07 C ATOM 0 H VAL A 28 -12.486 -0.364 -8.385 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.321 1.908 -7.934 1.00 0.42 H new ATOM 0 HB VAL A 28 -11.901 1.081 -6.300 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.592 2.898 -4.772 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.169 3.508 -6.389 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.877 3.356 -5.915 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.506 0.646 -4.483 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -14.850 0.976 -5.603 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -13.776 -0.414 -5.887 1.00 1.07 H new ATOM 425 N GLU A 29 -12.654 3.500 -9.013 1.00 0.37 N ATOM 426 CA GLU A 29 -11.738 4.348 -9.752 1.00 0.37 C ATOM 427 C GLU A 29 -11.316 5.540 -8.907 1.00 0.32 C ATOM 428 O GLU A 29 -11.762 5.678 -7.765 1.00 0.33 O ATOM 429 CB GLU A 29 -12.371 4.795 -11.066 1.00 0.45 C ATOM 430 CG GLU A 29 -12.600 3.639 -12.028 1.00 0.74 C ATOM 431 CD GLU A 29 -13.186 4.075 -13.350 1.00 1.33 C ATOM 432 OE1 GLU A 29 -12.432 4.596 -14.197 1.00 1.80 O ATOM 433 OE2 GLU A 29 -14.408 3.908 -13.546 1.00 1.98 O ATOM 0 H GLU A 29 -13.560 3.923 -8.812 1.00 0.37 H new ATOM 0 HA GLU A 29 -10.842 3.774 -9.989 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.323 5.284 -10.859 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -11.728 5.536 -11.541 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -11.653 3.130 -12.207 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.268 2.914 -11.563 1.00 0.74 H new ATOM 440 N ASN A 30 -10.442 6.381 -9.464 1.00 0.33 N ATOM 441 CA ASN A 30 -9.875 7.524 -8.740 1.00 0.34 C ATOM 442 C ASN A 30 -9.000 7.037 -7.592 1.00 0.27 C ATOM 443 O ASN A 30 -8.743 7.758 -6.628 1.00 0.31 O ATOM 444 CB ASN A 30 -10.976 8.454 -8.211 1.00 0.40 C ATOM 445 CG ASN A 30 -11.831 9.030 -9.322 1.00 1.17 C ATOM 446 OD1 ASN A 30 -12.843 8.445 -9.713 1.00 1.67 O ATOM 447 ND2 ASN A 30 -11.429 10.175 -9.845 1.00 2.06 N ATOM 0 H ASN A 30 -10.108 6.291 -10.424 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.263 8.094 -9.439 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.610 7.903 -7.517 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -10.520 9.268 -7.648 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -11.962 10.606 -10.600 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -10.585 10.628 -9.493 1.00 2.06 H new ATOM 454 N ALA A 31 -8.537 5.801 -7.716 1.00 0.21 N ATOM 455 CA ALA A 31 -7.723 5.178 -6.694 1.00 0.18 C ATOM 456 C ALA A 31 -6.248 5.238 -7.066 1.00 0.17 C ATOM 457 O ALA A 31 -5.888 5.325 -8.242 1.00 0.20 O ATOM 458 CB ALA A 31 -8.163 3.740 -6.487 1.00 0.17 C ATOM 0 H ALA A 31 -8.717 5.208 -8.526 1.00 0.21 H new ATOM 0 HA ALA A 31 -7.857 5.725 -5.761 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.546 3.278 -5.717 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.207 3.720 -6.176 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.052 3.188 -7.420 1.00 0.17 H new ATOM 464 N LEU A 32 -5.410 5.201 -6.047 1.00 0.17 N ATOM 465 CA LEU A 32 -3.969 5.338 -6.199 1.00 0.18 C ATOM 466 C LEU A 32 -3.310 3.971 -6.206 1.00 0.17 C ATOM 467 O LEU A 32 -2.250 3.779 -6.788 1.00 0.19 O ATOM 468 CB LEU A 32 -3.388 6.148 -5.031 1.00 0.22 C ATOM 469 CG LEU A 32 -3.666 7.655 -5.003 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.084 7.985 -5.426 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.397 8.203 -3.614 1.00 0.28 C ATOM 0 H LEU A 32 -5.711 5.074 -5.081 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.775 5.850 -7.141 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.768 5.719 -4.104 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.307 6.006 -5.029 1.00 0.22 H new ATOM 0 HG LEU A 32 -2.995 8.125 -5.722 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.233 9.064 -5.390 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.253 7.629 -6.442 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -5.788 7.499 -4.750 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -3.596 9.275 -3.601 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.046 7.704 -2.894 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.355 8.025 -3.348 1.00 0.28 H new ATOM 483 N MET A 33 -3.943 3.027 -5.529 1.00 0.15 N ATOM 484 CA MET A 33 -3.382 1.687 -5.374 1.00 0.14 C ATOM 485 C MET A 33 -4.487 0.643 -5.289 1.00 0.12 C ATOM 486 O MET A 33 -5.663 0.984 -5.153 1.00 0.12 O ATOM 487 CB MET A 33 -2.500 1.597 -4.128 1.00 0.14 C ATOM 488 CG MET A 33 -1.291 2.510 -4.139 1.00 0.17 C ATOM 489 SD MET A 33 -0.411 2.468 -2.575 1.00 0.17 S ATOM 490 CE MET A 33 -0.087 0.715 -2.457 1.00 0.20 C ATOM 0 H MET A 33 -4.847 3.160 -5.076 1.00 0.15 H new ATOM 0 HA MET A 33 -2.769 1.488 -6.253 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.106 1.831 -3.253 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.160 0.568 -4.014 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.618 2.212 -4.943 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.608 3.531 -4.350 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.577 0.524 -1.614 1.00 0.20 H new ATOM 0 HE2 MET A 33 -1.025 0.181 -2.308 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.385 0.370 -3.377 1.00 0.20 H new ATOM 500 N PHE A 34 -4.100 -0.625 -5.358 1.00 0.12 N ATOM 501 CA PHE A 34 -5.056 -1.723 -5.408 1.00 0.12 C ATOM 502 C PHE A 34 -4.469 -2.971 -4.748 1.00 0.11 C ATOM 503 O PHE A 34 -3.254 -3.131 -4.679 1.00 0.12 O ATOM 504 CB PHE A 34 -5.439 -2.002 -6.873 1.00 0.13 C ATOM 505 CG PHE A 34 -6.330 -3.200 -7.086 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.796 -4.412 -7.484 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.699 -3.108 -6.904 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.609 -5.508 -7.696 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.518 -4.201 -7.110 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.972 -5.403 -7.507 1.00 0.23 C ATOM 0 H PHE A 34 -3.124 -0.919 -5.381 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.955 -1.446 -4.857 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.939 -1.121 -7.275 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.525 -2.141 -7.451 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.730 -4.503 -7.631 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.133 -2.168 -6.596 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.178 -6.447 -8.010 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.584 -4.114 -6.960 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.609 -6.260 -7.670 1.00 0.23 H new ATOM 520 N ILE A 35 -5.341 -3.830 -4.247 1.00 0.11 N ATOM 521 CA ILE A 35 -4.938 -5.100 -3.656 1.00 0.12 C ATOM 522 C ILE A 35 -5.699 -6.226 -4.326 1.00 0.12 C ATOM 523 O ILE A 35 -6.928 -6.200 -4.375 1.00 0.16 O ATOM 524 CB ILE A 35 -5.227 -5.167 -2.137 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.441 -4.104 -1.380 1.00 0.13 C ATOM 526 CG2 ILE A 35 -4.893 -6.546 -1.590 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.770 -4.048 0.098 1.00 0.14 C ATOM 0 H ILE A 35 -6.348 -3.669 -4.237 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.862 -5.195 -3.805 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.290 -4.976 -1.993 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.375 -4.297 -1.500 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.640 -3.130 -1.826 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.103 -6.574 -0.521 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.499 -7.296 -2.098 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.837 -6.758 -1.758 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.174 -3.269 0.574 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.829 -3.824 0.227 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.544 -5.010 0.558 1.00 0.14 H new ATOM 539 N LYS A 36 -4.979 -7.204 -4.840 1.00 0.13 N ATOM 540 CA LYS A 36 -5.618 -8.355 -5.446 1.00 0.15 C ATOM 541 C LYS A 36 -5.361 -9.574 -4.571 1.00 0.16 C ATOM 542 O LYS A 36 -4.245 -10.075 -4.518 1.00 0.22 O ATOM 543 CB LYS A 36 -5.043 -8.579 -6.848 1.00 0.25 C ATOM 544 CG LYS A 36 -6.031 -9.166 -7.852 1.00 0.64 C ATOM 545 CD LYS A 36 -6.460 -10.583 -7.499 1.00 0.70 C ATOM 546 CE LYS A 36 -5.309 -11.576 -7.613 1.00 1.57 C ATOM 547 NZ LYS A 36 -5.766 -12.973 -7.377 1.00 2.38 N ATOM 0 H LYS A 36 -3.959 -7.225 -4.850 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.692 -8.188 -5.531 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -4.676 -7.627 -7.233 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.183 -9.245 -6.772 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -6.912 -8.527 -7.903 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.578 -9.165 -8.843 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -6.853 -10.600 -6.483 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.271 -10.891 -8.159 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -4.860 -11.502 -8.604 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -4.533 -11.319 -6.892 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -4.958 -13.622 -7.462 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -6.172 -13.049 -6.422 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -6.488 -13.226 -8.081 1.00 2.38 H new ATOM 561 N PRO A 37 -6.389 -10.083 -3.888 1.00 0.17 N ATOM 562 CA PRO A 37 -6.244 -11.231 -2.997 1.00 0.21 C ATOM 563 C PRO A 37 -6.070 -12.547 -3.748 1.00 0.27 C ATOM 564 O PRO A 37 -6.819 -12.858 -4.676 1.00 0.35 O ATOM 565 CB PRO A 37 -7.555 -11.244 -2.196 1.00 0.24 C ATOM 566 CG PRO A 37 -8.224 -9.945 -2.503 1.00 0.23 C ATOM 567 CD PRO A 37 -7.756 -9.554 -3.872 1.00 0.18 C ATOM 0 HA PRO A 37 -5.351 -11.140 -2.378 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.183 -12.087 -2.485 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.361 -11.343 -1.128 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.309 -10.049 -2.476 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -7.958 -9.186 -1.768 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.373 -9.994 -4.655 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.778 -8.474 -4.018 1.00 0.18 H new ATOM 575 N THR A 38 -5.048 -13.294 -3.363 1.00 0.31 N ATOM 576 CA THR A 38 -4.872 -14.657 -3.824 1.00 0.38 C ATOM 577 C THR A 38 -5.732 -15.574 -2.985 1.00 0.44 C ATOM 578 O THR A 38 -6.421 -16.460 -3.486 1.00 0.54 O ATOM 579 CB THR A 38 -3.405 -15.074 -3.702 1.00 0.48 C ATOM 580 OG1 THR A 38 -2.725 -14.172 -2.813 1.00 0.86 O ATOM 581 CG2 THR A 38 -2.742 -15.063 -5.057 1.00 0.78 C ATOM 0 H THR A 38 -4.321 -12.972 -2.724 1.00 0.31 H new ATOM 0 HA THR A 38 -5.167 -14.724 -4.871 1.00 0.38 H new ATOM 0 HB THR A 38 -3.353 -16.086 -3.301 1.00 0.48 H new ATOM 0 HG1 THR A 38 -2.188 -14.685 -2.174 1.00 0.86 H new ATOM 0 HG21 THR A 38 -1.699 -15.362 -4.954 1.00 0.78 H new ATOM 0 HG22 THR A 38 -3.256 -15.760 -5.719 1.00 0.78 H new ATOM 0 HG23 THR A 38 -2.792 -14.059 -5.478 1.00 0.78 H new ATOM 589 N LYS A 39 -5.696 -15.315 -1.699 1.00 0.48 N ATOM 590 CA LYS A 39 -6.560 -15.988 -0.752 1.00 0.63 C ATOM 591 C LYS A 39 -7.882 -15.243 -0.694 1.00 0.58 C ATOM 592 O LYS A 39 -7.906 -14.016 -0.802 1.00 0.54 O ATOM 593 CB LYS A 39 -5.914 -16.008 0.632 1.00 0.78 C ATOM 594 CG LYS A 39 -4.575 -16.733 0.686 1.00 0.93 C ATOM 595 CD LYS A 39 -4.719 -18.219 0.391 1.00 1.09 C ATOM 596 CE LYS A 39 -5.551 -18.923 1.451 1.00 1.65 C ATOM 597 NZ LYS A 39 -4.955 -18.792 2.807 1.00 2.16 N ATOM 0 H LYS A 39 -5.067 -14.632 -1.277 1.00 0.48 H new ATOM 0 HA LYS A 39 -6.723 -17.018 -1.069 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -5.772 -14.981 0.969 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -6.600 -16.482 1.334 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -3.891 -16.285 -0.035 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -4.131 -16.601 1.672 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -5.184 -18.353 -0.586 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -3.731 -18.677 0.339 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -6.558 -18.507 1.456 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -5.644 -19.979 1.197 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -5.396 -19.482 3.448 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -3.932 -18.972 2.756 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -5.119 -17.830 3.167 1.00 2.16 H new ATOM 611 N GLU A 40 -8.973 -15.983 -0.552 1.00 0.66 N ATOM 612 CA GLU A 40 -10.296 -15.382 -0.517 1.00 0.64 C ATOM 613 C GLU A 40 -10.371 -14.350 0.595 1.00 0.57 C ATOM 614 O GLU A 40 -9.856 -14.561 1.696 1.00 0.62 O ATOM 615 CB GLU A 40 -11.373 -16.449 -0.321 1.00 0.76 C ATOM 616 CG GLU A 40 -12.784 -15.907 -0.473 1.00 1.44 C ATOM 617 CD GLU A 40 -13.844 -16.960 -0.258 1.00 1.86 C ATOM 618 OE1 GLU A 40 -14.185 -17.673 -1.227 1.00 2.08 O ATOM 619 OE2 GLU A 40 -14.354 -17.069 0.874 1.00 2.42 O ATOM 0 H GLU A 40 -8.967 -16.999 -0.459 1.00 0.66 H new ATOM 0 HA GLU A 40 -10.475 -14.888 -1.472 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.218 -17.250 -1.044 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -11.264 -16.889 0.670 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -12.935 -15.096 0.239 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -12.899 -15.481 -1.470 1.00 1.44 H new ATOM 626 N VAL A 41 -11.031 -13.248 0.305 1.00 0.53 N ATOM 627 CA VAL A 41 -11.036 -12.105 1.195 1.00 0.49 C ATOM 628 C VAL A 41 -12.034 -12.292 2.321 1.00 0.51 C ATOM 629 O VAL A 41 -13.151 -12.767 2.106 1.00 0.54 O ATOM 630 CB VAL A 41 -11.358 -10.800 0.444 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.141 -9.898 0.426 1.00 0.73 C ATOM 632 CG2 VAL A 41 -11.833 -11.087 -0.975 1.00 0.69 C ATOM 0 H VAL A 41 -11.576 -13.119 -0.548 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.032 -12.030 1.613 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.166 -10.292 0.969 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.378 -8.977 -0.107 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -9.849 -9.660 1.449 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.318 -10.407 -0.077 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.053 -10.148 -1.482 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.053 -11.619 -1.519 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -12.733 -11.700 -0.940 1.00 0.69 H new ATOM 642 N PRO A 42 -11.606 -11.949 3.546 1.00 0.55 N ATOM 643 CA PRO A 42 -12.436 -12.043 4.746 1.00 0.62 C ATOM 644 C PRO A 42 -13.800 -11.390 4.557 1.00 0.63 C ATOM 645 O PRO A 42 -13.898 -10.189 4.299 1.00 0.64 O ATOM 646 CB PRO A 42 -11.626 -11.277 5.785 1.00 0.68 C ATOM 647 CG PRO A 42 -10.216 -11.407 5.344 1.00 0.65 C ATOM 648 CD PRO A 42 -10.254 -11.449 3.851 1.00 0.58 C ATOM 0 HA PRO A 42 -12.648 -13.077 5.019 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.931 -10.231 5.831 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.768 -11.694 6.782 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.618 -10.566 5.696 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.762 -12.312 5.748 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -10.086 -10.463 3.419 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.484 -12.108 3.450 1.00 0.58 H new ATOM 656 N GLU A 43 -14.842 -12.187 4.725 1.00 0.69 N ATOM 657 CA GLU A 43 -16.195 -11.763 4.457 1.00 0.75 C ATOM 658 C GLU A 43 -16.678 -10.747 5.481 1.00 0.81 C ATOM 659 O GLU A 43 -17.362 -9.780 5.142 1.00 0.83 O ATOM 660 CB GLU A 43 -17.097 -12.984 4.458 1.00 0.85 C ATOM 661 CG GLU A 43 -18.537 -12.672 4.138 1.00 1.21 C ATOM 662 CD GLU A 43 -19.403 -13.909 4.086 1.00 1.68 C ATOM 663 OE1 GLU A 43 -19.910 -14.327 5.145 1.00 2.28 O ATOM 664 OE2 GLU A 43 -19.590 -14.470 2.984 1.00 1.87 O ATOM 0 H GLU A 43 -14.767 -13.150 5.053 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.224 -11.275 3.483 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.720 -13.704 3.732 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -17.046 -13.462 5.436 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -18.932 -11.988 4.889 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -18.589 -12.157 3.179 1.00 1.21 H new ATOM 671 N PHE A 44 -16.303 -10.960 6.732 1.00 0.86 N ATOM 672 CA PHE A 44 -16.769 -10.107 7.811 1.00 0.97 C ATOM 673 C PHE A 44 -16.155 -8.716 7.708 1.00 0.96 C ATOM 674 O PHE A 44 -16.736 -7.736 8.168 1.00 1.02 O ATOM 675 CB PHE A 44 -16.457 -10.721 9.171 1.00 1.11 C ATOM 676 CG PHE A 44 -17.070 -12.080 9.376 1.00 1.69 C ATOM 677 CD1 PHE A 44 -16.465 -13.211 8.854 1.00 2.33 C ATOM 678 CD2 PHE A 44 -18.249 -12.228 10.089 1.00 1.86 C ATOM 679 CE1 PHE A 44 -17.023 -14.461 9.039 1.00 3.18 C ATOM 680 CE2 PHE A 44 -18.811 -13.475 10.277 1.00 2.66 C ATOM 681 CZ PHE A 44 -18.204 -14.589 9.760 1.00 3.34 C ATOM 0 H PHE A 44 -15.680 -11.713 7.024 1.00 0.86 H new ATOM 0 HA PHE A 44 -17.851 -10.017 7.716 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.376 -10.799 9.285 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -16.813 -10.050 9.953 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -15.546 -13.115 8.295 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -18.735 -11.357 10.503 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -16.543 -15.335 8.625 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -19.732 -13.572 10.833 1.00 2.66 H new ATOM 0 HZ PHE A 44 -18.642 -15.564 9.912 1.00 3.34 H new ATOM 691 N LYS A 45 -14.989 -8.630 7.080 1.00 0.90 N ATOM 692 CA LYS A 45 -14.314 -7.353 6.900 1.00 0.93 C ATOM 693 C LYS A 45 -15.083 -6.457 5.938 1.00 0.89 C ATOM 694 O LYS A 45 -14.983 -5.233 6.005 1.00 0.98 O ATOM 695 CB LYS A 45 -12.884 -7.565 6.408 1.00 0.94 C ATOM 696 CG LYS A 45 -11.895 -7.817 7.533 1.00 1.07 C ATOM 697 CD LYS A 45 -12.223 -9.072 8.329 1.00 1.09 C ATOM 698 CE LYS A 45 -11.276 -9.245 9.504 1.00 1.27 C ATOM 699 NZ LYS A 45 -11.511 -10.521 10.230 1.00 1.94 N ATOM 0 H LYS A 45 -14.492 -9.430 6.687 1.00 0.90 H new ATOM 0 HA LYS A 45 -14.276 -6.854 7.868 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.865 -8.410 5.720 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.567 -6.688 5.844 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.892 -7.907 7.117 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.886 -6.958 8.204 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -13.249 -9.017 8.692 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -12.161 -9.944 7.678 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -10.247 -9.216 9.146 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -11.398 -8.409 10.193 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -10.843 -10.597 11.023 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -12.485 -10.539 10.594 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -11.370 -11.321 9.581 1.00 1.94 H new ATOM 713 N PHE A 46 -15.857 -7.069 5.056 1.00 0.79 N ATOM 714 CA PHE A 46 -16.705 -6.317 4.142 1.00 0.78 C ATOM 715 C PHE A 46 -17.906 -5.745 4.882 1.00 0.83 C ATOM 716 O PHE A 46 -18.174 -4.547 4.824 1.00 0.93 O ATOM 717 CB PHE A 46 -17.198 -7.202 2.996 1.00 0.74 C ATOM 718 CG PHE A 46 -16.120 -7.643 2.049 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.839 -8.985 1.886 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.397 -6.717 1.318 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.855 -9.401 1.012 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.409 -7.125 0.443 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.139 -8.469 0.289 1.00 0.54 C ATOM 0 H PHE A 46 -15.916 -8.082 4.953 1.00 0.79 H new ATOM 0 HA PHE A 46 -16.107 -5.504 3.730 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.680 -8.085 3.416 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -17.959 -6.660 2.435 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -16.396 -9.719 2.450 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -15.607 -5.664 1.433 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.646 -10.454 0.894 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -13.849 -6.393 -0.120 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.369 -8.791 -0.396 1.00 0.54 H new ATOM 733 N VAL A 47 -18.601 -6.613 5.604 1.00 0.81 N ATOM 734 CA VAL A 47 -19.858 -6.255 6.241 1.00 0.88 C ATOM 735 C VAL A 47 -19.641 -5.346 7.454 1.00 0.87 C ATOM 736 O VAL A 47 -20.395 -4.396 7.666 1.00 0.92 O ATOM 737 CB VAL A 47 -20.650 -7.520 6.644 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.865 -8.377 7.628 1.00 0.98 C ATOM 739 CG2 VAL A 47 -22.009 -7.144 7.209 1.00 1.07 C ATOM 0 H VAL A 47 -18.311 -7.578 5.763 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.444 -5.696 5.511 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.808 -8.117 5.746 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.450 -9.258 7.891 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.926 -8.688 7.171 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.656 -7.799 8.528 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.551 -8.048 7.486 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.876 -6.516 8.090 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.577 -6.597 6.456 1.00 1.07 H new ATOM 749 N ASN A 48 -18.596 -5.615 8.226 1.00 0.86 N ATOM 750 CA ASN A 48 -18.319 -4.841 9.432 1.00 0.90 C ATOM 751 C ASN A 48 -17.881 -3.426 9.080 1.00 0.82 C ATOM 752 O ASN A 48 -18.284 -2.459 9.728 1.00 0.91 O ATOM 753 CB ASN A 48 -17.240 -5.528 10.277 1.00 0.96 C ATOM 754 CG ASN A 48 -16.858 -4.729 11.513 1.00 1.07 C ATOM 755 OD1 ASN A 48 -15.959 -3.888 11.470 1.00 1.50 O ATOM 756 ND2 ASN A 48 -17.531 -4.993 12.622 1.00 1.66 N ATOM 0 H ASN A 48 -17.926 -6.362 8.040 1.00 0.86 H new ATOM 0 HA ASN A 48 -19.239 -4.785 10.013 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -17.597 -6.512 10.582 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -16.352 -5.687 9.665 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -17.312 -4.492 13.483 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -18.269 -5.697 12.615 1.00 1.66 H new ATOM 763 N ARG A 49 -17.073 -3.311 8.038 1.00 0.69 N ATOM 764 CA ARG A 49 -16.531 -2.022 7.631 1.00 0.63 C ATOM 765 C ARG A 49 -17.485 -1.279 6.703 1.00 0.58 C ATOM 766 O ARG A 49 -17.272 -0.106 6.399 1.00 0.57 O ATOM 767 CB ARG A 49 -15.189 -2.210 6.940 1.00 0.59 C ATOM 768 CG ARG A 49 -14.053 -2.586 7.875 1.00 0.92 C ATOM 769 CD ARG A 49 -12.799 -2.929 7.090 1.00 1.01 C ATOM 770 NE ARG A 49 -11.631 -3.106 7.952 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.497 -3.686 7.560 1.00 1.45 C ATOM 772 NH1 ARG A 49 -10.395 -4.206 6.344 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.461 -3.761 8.380 1.00 2.00 N ATOM 0 H ARG A 49 -16.777 -4.095 7.457 1.00 0.69 H new ATOM 0 HA ARG A 49 -16.398 -1.423 8.532 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -15.290 -2.985 6.180 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.928 -1.287 6.422 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.847 -1.759 8.555 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -14.348 -3.437 8.488 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -12.969 -3.843 6.521 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.598 -2.137 6.368 1.00 1.01 H new ATOM 0 HE ARG A 49 -11.688 -2.765 8.912 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -11.187 -4.163 5.703 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -9.524 -4.649 6.050 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -9.526 -3.373 9.321 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.597 -4.207 8.071 1.00 2.00 H new ATOM 787 N ASN A 50 -18.526 -1.978 6.241 1.00 0.60 N ATOM 788 CA ASN A 50 -19.496 -1.417 5.292 1.00 0.63 C ATOM 789 C ASN A 50 -18.814 -1.147 3.949 1.00 0.54 C ATOM 790 O ASN A 50 -19.344 -0.453 3.080 1.00 0.61 O ATOM 791 CB ASN A 50 -20.116 -0.129 5.856 1.00 0.71 C ATOM 792 CG ASN A 50 -21.293 0.388 5.043 1.00 1.46 C ATOM 793 OD1 ASN A 50 -21.493 1.597 4.920 1.00 2.26 O ATOM 794 ND2 ASN A 50 -22.093 -0.517 4.503 1.00 2.05 N ATOM 0 H ASN A 50 -18.721 -2.942 6.511 1.00 0.60 H new ATOM 0 HA ASN A 50 -20.298 -2.139 5.137 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -20.444 -0.312 6.879 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -19.349 0.644 5.901 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -22.907 -0.221 3.964 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -21.896 -1.510 4.626 1.00 2.05 H new ATOM 801 N GLY A 51 -17.628 -1.715 3.792 1.00 0.46 N ATOM 802 CA GLY A 51 -16.845 -1.517 2.592 1.00 0.41 C ATOM 803 C GLY A 51 -15.886 -0.349 2.721 1.00 0.33 C ATOM 804 O GLY A 51 -14.968 -0.198 1.916 1.00 0.34 O ATOM 0 H GLY A 51 -17.189 -2.319 4.487 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -16.282 -2.425 2.373 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.513 -1.345 1.748 1.00 0.41 H new ATOM 808 N LYS A 52 -16.086 0.467 3.746 1.00 0.29 N ATOM 809 CA LYS A 52 -15.254 1.638 3.958 1.00 0.29 C ATOM 810 C LYS A 52 -14.286 1.446 5.114 1.00 0.30 C ATOM 811 O LYS A 52 -14.646 0.911 6.161 1.00 0.36 O ATOM 812 CB LYS A 52 -16.107 2.872 4.228 1.00 0.34 C ATOM 813 CG LYS A 52 -16.702 3.503 2.985 1.00 1.14 C ATOM 814 CD LYS A 52 -17.310 4.856 3.312 1.00 1.28 C ATOM 815 CE LYS A 52 -16.265 5.835 3.838 1.00 1.67 C ATOM 816 NZ LYS A 52 -15.197 6.119 2.842 1.00 2.43 N ATOM 0 H LYS A 52 -16.819 0.338 4.444 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.680 1.781 3.042 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -16.916 2.599 4.905 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -15.498 3.615 4.742 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -15.930 3.619 2.224 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -17.465 2.847 2.567 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -17.778 5.269 2.419 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.097 4.731 4.055 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -16.754 6.768 4.117 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -15.814 5.428 4.743 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -14.279 5.807 3.219 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -15.401 5.608 1.959 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -15.163 7.141 2.651 1.00 2.43 H new ATOM 830 N ASN A 53 -13.057 1.879 4.910 1.00 0.30 N ATOM 831 CA ASN A 53 -12.085 1.958 5.985 1.00 0.34 C ATOM 832 C ASN A 53 -11.109 3.096 5.712 1.00 0.27 C ATOM 833 O ASN A 53 -10.395 3.088 4.708 1.00 0.24 O ATOM 834 CB ASN A 53 -11.330 0.634 6.139 1.00 0.43 C ATOM 835 CG ASN A 53 -10.393 0.631 7.333 1.00 1.14 C ATOM 836 OD1 ASN A 53 -10.642 1.301 8.335 1.00 1.72 O ATOM 837 ND2 ASN A 53 -9.313 -0.131 7.240 1.00 2.05 N ATOM 0 H ASN A 53 -12.705 2.184 4.002 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.613 2.154 6.918 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.048 -0.179 6.244 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.757 0.439 5.232 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -8.653 -0.177 8.016 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -9.142 -0.672 6.392 1.00 2.05 H new ATOM 844 N GLU A 54 -11.087 4.073 6.601 1.00 0.30 N ATOM 845 CA GLU A 54 -10.182 5.203 6.467 1.00 0.28 C ATOM 846 C GLU A 54 -8.863 4.908 7.171 1.00 0.28 C ATOM 847 O GLU A 54 -8.824 4.644 8.377 1.00 0.40 O ATOM 848 CB GLU A 54 -10.821 6.481 7.010 1.00 0.33 C ATOM 849 CG GLU A 54 -11.702 7.210 5.998 1.00 0.35 C ATOM 850 CD GLU A 54 -12.968 6.456 5.623 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.857 6.307 6.491 1.00 1.15 O ATOM 852 OE2 GLU A 54 -13.097 6.041 4.451 1.00 1.47 O ATOM 0 H GLU A 54 -11.686 4.108 7.426 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.978 5.360 5.408 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.420 6.232 7.886 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -10.033 7.156 7.344 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.978 8.182 6.406 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -11.122 7.397 5.094 1.00 0.35 H new ATOM 859 N LEU A 55 -7.787 4.962 6.400 1.00 0.21 N ATOM 860 CA LEU A 55 -6.463 4.567 6.864 1.00 0.22 C ATOM 861 C LEU A 55 -5.779 5.673 7.649 1.00 0.24 C ATOM 862 O LEU A 55 -5.434 5.498 8.818 1.00 0.32 O ATOM 863 CB LEU A 55 -5.592 4.202 5.666 1.00 0.21 C ATOM 864 CG LEU A 55 -5.886 2.853 5.022 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.171 2.756 3.689 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.459 1.719 5.941 1.00 0.54 C ATOM 0 H LEU A 55 -7.806 5.282 5.432 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.590 3.710 7.526 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.705 4.978 4.909 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.549 4.214 5.982 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.960 2.767 4.854 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.384 1.790 3.231 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.518 3.553 3.031 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.097 2.855 3.844 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.677 0.763 5.465 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.389 1.792 6.136 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -6.005 1.788 6.882 1.00 0.54 H new ATOM 878 N ILE A 56 -5.566 6.803 6.996 1.00 0.21 N ATOM 879 CA ILE A 56 -4.815 7.894 7.595 1.00 0.22 C ATOM 880 C ILE A 56 -5.393 9.243 7.170 1.00 0.22 C ATOM 881 O ILE A 56 -6.023 9.350 6.115 1.00 0.22 O ATOM 882 CB ILE A 56 -3.323 7.803 7.198 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.474 8.764 8.029 1.00 0.23 C ATOM 884 CG2 ILE A 56 -3.153 8.097 5.717 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.990 8.501 7.918 1.00 0.25 C ATOM 0 H ILE A 56 -5.902 6.989 6.051 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.895 7.810 8.679 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.981 6.788 7.399 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.679 9.786 7.711 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.772 8.689 9.075 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -2.098 8.029 5.451 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.721 7.372 5.135 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.518 9.101 5.501 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.446 9.219 8.532 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.773 7.490 8.263 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.679 8.604 6.878 1.00 0.25 H new ATOM 897 N ARG A 57 -5.180 10.263 7.989 1.00 0.26 N ATOM 898 CA ARG A 57 -5.725 11.586 7.726 1.00 0.27 C ATOM 899 C ARG A 57 -4.636 12.617 7.539 1.00 0.29 C ATOM 900 O ARG A 57 -3.455 12.348 7.764 1.00 0.34 O ATOM 901 CB ARG A 57 -6.563 12.084 8.902 1.00 0.37 C ATOM 902 CG ARG A 57 -7.789 11.274 9.222 1.00 0.49 C ATOM 903 CD ARG A 57 -8.860 11.441 8.162 1.00 0.88 C ATOM 904 NE ARG A 57 -10.055 10.658 8.463 1.00 1.34 N ATOM 905 CZ ARG A 57 -11.161 10.681 7.725 1.00 1.83 C ATOM 906 NH1 ARG A 57 -11.204 11.403 6.614 1.00 1.96 N ATOM 907 NH2 ARG A 57 -12.221 9.975 8.090 1.00 2.23 N ATOM 0 H ARG A 57 -4.630 10.198 8.846 1.00 0.26 H new ATOM 0 HA ARG A 57 -6.323 11.478 6.821 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -5.929 12.114 9.788 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -6.871 13.109 8.696 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.519 10.221 9.305 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -8.184 11.579 10.191 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -9.128 12.494 8.080 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -8.462 11.137 7.194 1.00 0.88 H new ATOM 0 HE ARG A 57 -10.041 10.058 9.288 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -10.388 11.942 6.324 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -12.053 11.420 6.049 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -12.190 9.411 8.940 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -13.068 9.995 7.521 1.00 2.23 H new ATOM 921 N ASN A 58 -5.077 13.801 7.131 1.00 0.30 N ATOM 922 CA ASN A 58 -4.332 15.025 7.322 1.00 0.33 C ATOM 923 C ASN A 58 -3.035 15.039 6.512 1.00 0.31 C ATOM 924 O ASN A 58 -2.010 15.559 6.954 1.00 0.33 O ATOM 925 CB ASN A 58 -4.069 15.151 8.812 1.00 0.39 C ATOM 926 CG ASN A 58 -3.867 16.582 9.275 1.00 0.46 C ATOM 927 OD1 ASN A 58 -2.743 17.078 9.335 1.00 1.01 O ATOM 928 ND2 ASN A 58 -4.957 17.252 9.621 1.00 1.40 N ATOM 0 H ASN A 58 -5.970 13.932 6.655 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.905 15.879 6.960 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.906 14.716 9.358 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.184 14.567 9.067 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -4.881 18.214 9.951 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -5.872 16.806 9.557 1.00 1.40 H new ATOM 935 N LEU A 59 -3.105 14.488 5.304 1.00 0.28 N ATOM 936 CA LEU A 59 -1.934 14.340 4.445 1.00 0.27 C ATOM 937 C LEU A 59 -1.376 15.689 3.990 1.00 0.33 C ATOM 938 O LEU A 59 -0.204 15.793 3.640 1.00 0.33 O ATOM 939 CB LEU A 59 -2.287 13.491 3.225 1.00 0.24 C ATOM 940 CG LEU A 59 -2.941 12.144 3.542 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.181 11.351 2.271 1.00 0.19 C ATOM 942 CD2 LEU A 59 -2.090 11.346 4.510 1.00 0.20 C ATOM 0 H LEU A 59 -3.969 14.133 4.895 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.161 13.845 5.032 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.959 14.063 2.585 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.378 13.311 2.651 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.904 12.340 4.013 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.646 10.397 2.520 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.839 11.914 1.609 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.230 11.171 1.770 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.575 10.393 4.720 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -1.110 11.165 4.069 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.972 11.906 5.438 1.00 0.20 H new ATOM 954 N GLN A 60 -2.218 16.714 3.983 1.00 0.40 N ATOM 955 CA GLN A 60 -1.790 18.051 3.591 1.00 0.49 C ATOM 956 C GLN A 60 -0.682 18.573 4.498 1.00 0.51 C ATOM 957 O GLN A 60 0.336 19.088 4.025 1.00 0.53 O ATOM 958 CB GLN A 60 -2.961 19.003 3.684 1.00 0.62 C ATOM 959 CG GLN A 60 -2.632 20.427 3.275 1.00 0.81 C ATOM 960 CD GLN A 60 -3.604 21.442 3.841 1.00 1.00 C ATOM 961 OE1 GLN A 60 -3.877 22.464 3.216 1.00 1.76 O ATOM 962 NE2 GLN A 60 -4.123 21.178 5.033 1.00 1.27 N ATOM 0 H GLN A 60 -3.202 16.646 4.244 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.414 17.991 2.570 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.769 18.632 3.053 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.333 19.007 4.709 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.624 20.672 3.609 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.634 20.497 2.187 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.871 20.318 5.520 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.774 21.835 5.463 1.00 1.27 H new ATOM 971 N SER A 61 -0.880 18.419 5.800 1.00 0.53 N ATOM 972 CA SER A 61 0.010 19.012 6.786 1.00 0.60 C ATOM 973 C SER A 61 1.311 18.228 6.883 1.00 0.48 C ATOM 974 O SER A 61 2.279 18.680 7.499 1.00 0.56 O ATOM 975 CB SER A 61 -0.688 19.074 8.149 1.00 0.79 C ATOM 976 OG SER A 61 0.077 19.799 9.099 1.00 1.59 O ATOM 0 H SER A 61 -1.653 17.886 6.198 1.00 0.53 H new ATOM 0 HA SER A 61 0.254 20.026 6.470 1.00 0.60 H new ATOM 0 HB2 SER A 61 -1.666 19.542 8.036 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.860 18.062 8.516 1.00 0.79 H new ATOM 0 HG SER A 61 1.021 19.789 8.835 1.00 1.59 H new ATOM 982 N ASP A 62 1.336 17.062 6.260 1.00 0.41 N ATOM 983 CA ASP A 62 2.525 16.221 6.274 1.00 0.41 C ATOM 984 C ASP A 62 2.468 15.191 5.154 1.00 0.36 C ATOM 985 O ASP A 62 1.662 14.262 5.185 1.00 0.33 O ATOM 986 CB ASP A 62 2.667 15.521 7.625 1.00 0.52 C ATOM 987 CG ASP A 62 4.001 14.820 7.778 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.135 13.680 7.275 1.00 1.92 O ATOM 989 OD2 ASP A 62 4.922 15.393 8.390 1.00 1.41 O ATOM 0 H ASP A 62 0.549 16.675 5.739 1.00 0.41 H new ATOM 0 HA ASP A 62 3.395 16.858 6.115 1.00 0.41 H new ATOM 0 HB2 ASP A 62 2.551 16.253 8.424 1.00 0.52 H new ATOM 0 HB3 ASP A 62 1.863 14.794 7.740 1.00 0.52 H new ATOM 994 N LYS A 63 3.338 15.372 4.170 1.00 0.39 N ATOM 995 CA LYS A 63 3.385 14.513 2.992 1.00 0.40 C ATOM 996 C LYS A 63 3.661 13.068 3.352 1.00 0.33 C ATOM 997 O LYS A 63 3.122 12.147 2.741 1.00 0.30 O ATOM 998 CB LYS A 63 4.465 15.001 2.047 1.00 0.52 C ATOM 999 CG LYS A 63 4.129 16.333 1.434 1.00 1.06 C ATOM 1000 CD LYS A 63 3.870 16.203 -0.057 1.00 1.18 C ATOM 1001 CE LYS A 63 5.156 15.974 -0.836 1.00 1.00 C ATOM 1002 NZ LYS A 63 6.134 17.076 -0.635 1.00 1.68 N ATOM 0 H LYS A 63 4.032 16.119 4.165 1.00 0.39 H new ATOM 0 HA LYS A 63 2.407 14.562 2.514 1.00 0.40 H new ATOM 0 HB2 LYS A 63 5.409 15.080 2.587 1.00 0.52 H new ATOM 0 HB3 LYS A 63 4.611 14.266 1.256 1.00 0.52 H new ATOM 0 HG2 LYS A 63 3.249 16.750 1.924 1.00 1.06 H new ATOM 0 HG3 LYS A 63 4.949 17.031 1.604 1.00 1.06 H new ATOM 0 HD2 LYS A 63 3.184 15.375 -0.236 1.00 1.18 H new ATOM 0 HD3 LYS A 63 3.381 17.106 -0.421 1.00 1.18 H new ATOM 0 HE2 LYS A 63 5.605 15.030 -0.525 1.00 1.00 H new ATOM 0 HE3 LYS A 63 4.925 15.883 -1.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 6.504 17.385 -1.557 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 5.664 17.876 -0.165 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 6.919 16.739 -0.042 1.00 1.68 H new ATOM 1016 N LYS A 64 4.497 12.886 4.354 1.00 0.34 N ATOM 1017 CA LYS A 64 4.975 11.560 4.725 1.00 0.33 C ATOM 1018 C LYS A 64 3.844 10.679 5.244 1.00 0.27 C ATOM 1019 O LYS A 64 3.954 9.452 5.245 1.00 0.27 O ATOM 1020 CB LYS A 64 6.074 11.658 5.778 1.00 0.40 C ATOM 1021 CG LYS A 64 7.320 12.392 5.308 1.00 0.42 C ATOM 1022 CD LYS A 64 7.886 11.792 4.031 1.00 0.38 C ATOM 1023 CE LYS A 64 9.197 12.453 3.635 1.00 0.51 C ATOM 1024 NZ LYS A 64 9.065 13.929 3.484 1.00 1.07 N ATOM 0 H LYS A 64 4.864 13.642 4.932 1.00 0.34 H new ATOM 0 HA LYS A 64 5.380 11.100 3.824 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.676 12.165 6.657 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.354 10.652 6.090 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.081 13.442 5.140 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.078 12.359 6.091 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.045 10.723 4.170 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.163 11.905 3.224 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.954 12.234 4.388 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.548 12.024 2.696 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 9.937 14.315 3.068 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 8.260 14.144 2.861 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 8.906 14.361 4.417 1.00 1.07 H new ATOM 1038 N LEU A 65 2.772 11.304 5.702 1.00 0.25 N ATOM 1039 CA LEU A 65 1.593 10.580 6.134 1.00 0.21 C ATOM 1040 C LEU A 65 1.037 9.706 5.011 1.00 0.17 C ATOM 1041 O LEU A 65 0.620 8.574 5.257 1.00 0.18 O ATOM 1042 CB LEU A 65 0.530 11.554 6.630 1.00 0.24 C ATOM 1043 CG LEU A 65 0.941 12.394 7.836 1.00 0.28 C ATOM 1044 CD1 LEU A 65 -0.200 13.293 8.280 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.391 11.503 8.977 1.00 0.31 C ATOM 0 H LEU A 65 2.696 12.318 5.784 1.00 0.25 H new ATOM 0 HA LEU A 65 1.880 9.923 6.955 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.262 12.224 5.813 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.367 10.990 6.887 1.00 0.24 H new ATOM 0 HG LEU A 65 1.779 13.026 7.541 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.115 13.883 9.141 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.476 13.961 7.464 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -1.060 12.681 8.554 1.00 0.34 H new ATOM 0 HD21 LEU A 65 1.680 12.120 9.828 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.573 10.844 9.268 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.244 10.904 8.657 1.00 0.31 H new ATOM 1057 N PHE A 66 1.044 10.213 3.777 1.00 0.15 N ATOM 1058 CA PHE A 66 0.602 9.412 2.640 1.00 0.13 C ATOM 1059 C PHE A 66 1.491 8.184 2.490 1.00 0.14 C ATOM 1060 O PHE A 66 1.015 7.100 2.166 1.00 0.15 O ATOM 1061 CB PHE A 66 0.605 10.231 1.339 1.00 0.14 C ATOM 1062 CG PHE A 66 0.306 9.413 0.103 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.714 8.478 0.101 1.00 0.13 C ATOM 1064 CD2 PHE A 66 1.056 9.571 -1.051 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -0.980 7.716 -1.021 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.792 8.817 -2.179 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.225 7.886 -2.163 1.00 0.21 C ATOM 0 H PHE A 66 1.346 11.159 3.544 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.423 9.094 2.831 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.132 11.030 1.422 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.579 10.706 1.222 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.312 8.342 0.990 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.858 10.294 -1.070 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -1.778 6.988 -1.004 1.00 0.15 H new ATOM 0 HE2 PHE A 66 1.382 8.957 -3.073 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.430 7.292 -3.041 1.00 0.21 H new ATOM 1077 N TYR A 67 2.777 8.355 2.774 1.00 0.16 N ATOM 1078 CA TYR A 67 3.742 7.275 2.627 1.00 0.18 C ATOM 1079 C TYR A 67 3.361 6.128 3.556 1.00 0.16 C ATOM 1080 O TYR A 67 3.160 4.993 3.126 1.00 0.18 O ATOM 1081 CB TYR A 67 5.164 7.739 2.968 1.00 0.22 C ATOM 1082 CG TYR A 67 5.723 8.846 2.095 1.00 0.26 C ATOM 1083 CD1 TYR A 67 4.933 9.903 1.663 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.064 8.850 1.738 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.457 10.927 0.905 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.595 9.867 0.972 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.789 10.904 0.559 1.00 0.35 C ATOM 1088 OH TYR A 67 7.318 11.925 -0.198 1.00 0.40 O ATOM 0 H TYR A 67 3.175 9.233 3.108 1.00 0.16 H new ATOM 0 HA TYR A 67 3.726 6.949 1.587 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.177 8.077 4.004 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.832 6.880 2.905 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.886 9.923 1.927 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.703 8.043 2.065 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.826 11.743 0.584 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.639 9.850 0.697 1.00 0.37 H new ATOM 0 HH TYR A 67 8.296 11.891 -0.154 1.00 0.40 H new ATOM 1098 N SER A 68 3.270 6.451 4.839 1.00 0.15 N ATOM 1099 CA SER A 68 2.859 5.499 5.855 1.00 0.18 C ATOM 1100 C SER A 68 1.450 4.970 5.579 1.00 0.17 C ATOM 1101 O SER A 68 1.175 3.794 5.799 1.00 0.20 O ATOM 1102 CB SER A 68 2.925 6.153 7.243 1.00 0.26 C ATOM 1103 OG SER A 68 2.568 5.239 8.268 1.00 1.22 O ATOM 0 H SER A 68 3.480 7.381 5.202 1.00 0.15 H new ATOM 0 HA SER A 68 3.544 4.652 5.828 1.00 0.18 H new ATOM 0 HB2 SER A 68 3.933 6.526 7.422 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.256 7.013 7.273 1.00 0.26 H new ATOM 0 HG SER A 68 2.658 4.322 7.934 1.00 1.22 H new ATOM 1109 N GLY A 69 0.560 5.828 5.091 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.765 5.372 4.720 1.00 0.17 C ATOM 1111 C GLY A 69 -0.708 4.249 3.699 1.00 0.16 C ATOM 1112 O GLY A 69 -1.541 3.344 3.711 1.00 0.17 O ATOM 0 H GLY A 69 0.731 6.823 4.947 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.294 5.029 5.609 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.336 6.206 4.312 1.00 0.17 H new ATOM 1116 N ILE A 70 0.288 4.308 2.823 1.00 0.15 N ATOM 1117 CA ILE A 70 0.516 3.262 1.843 1.00 0.16 C ATOM 1118 C ILE A 70 0.905 1.947 2.519 1.00 0.16 C ATOM 1119 O ILE A 70 0.362 0.895 2.187 1.00 0.17 O ATOM 1120 CB ILE A 70 1.626 3.663 0.855 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.214 4.912 0.078 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.930 2.512 -0.088 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.297 5.452 -0.828 1.00 0.18 C ATOM 0 H ILE A 70 0.955 5.079 2.775 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.419 3.124 1.300 1.00 0.16 H new ATOM 0 HB ILE A 70 2.533 3.893 1.414 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.333 4.682 -0.521 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.924 5.689 0.785 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.717 2.808 -0.782 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.261 1.648 0.488 1.00 0.17 H new ATOM 0 HG23 ILE A 70 1.031 2.253 -0.648 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.930 6.338 -1.346 1.00 0.18 H new ATOM 0 HD12 ILE A 70 3.171 5.715 -0.233 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.572 4.692 -1.560 1.00 0.18 H new ATOM 1135 N CYS A 71 1.839 2.006 3.472 1.00 0.17 N ATOM 1136 CA CYS A 71 2.281 0.796 4.164 1.00 0.18 C ATOM 1137 C CYS A 71 1.109 0.186 4.918 1.00 0.17 C ATOM 1138 O CYS A 71 0.960 -1.030 4.985 1.00 0.17 O ATOM 1139 CB CYS A 71 3.451 1.080 5.121 1.00 0.21 C ATOM 1140 SG CYS A 71 3.016 1.851 6.699 1.00 1.10 S ATOM 0 H CYS A 71 2.297 2.865 3.777 1.00 0.17 H new ATOM 0 HA CYS A 71 2.642 0.088 3.418 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.962 0.140 5.327 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.165 1.725 4.609 1.00 0.21 H new ATOM 0 HG CYS A 71 2.153 2.802 6.494 1.00 1.10 H new ATOM 1146 N GLN A 72 0.268 1.057 5.458 1.00 0.18 N ATOM 1147 CA GLN A 72 -0.958 0.644 6.136 1.00 0.19 C ATOM 1148 C GLN A 72 -1.910 -0.044 5.163 1.00 0.17 C ATOM 1149 O GLN A 72 -2.647 -0.957 5.536 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.660 1.850 6.757 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.845 2.572 7.820 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.665 1.756 9.089 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -0.629 0.527 9.061 1.00 1.82 O ATOM 1154 NE2 GLN A 72 -0.549 2.441 10.215 1.00 1.56 N ATOM 0 H GLN A 72 0.413 2.066 5.440 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.682 -0.058 6.922 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.910 2.557 5.966 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.600 1.520 7.199 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.135 2.819 7.412 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.335 3.514 8.067 1.00 0.28 H new ATOM 0 HE21 GLN A 72 -0.584 3.460 10.198 1.00 1.56 H new ATOM 0 HE22 GLN A 72 -0.425 1.950 11.100 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.895 0.413 3.919 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.738 -0.153 2.880 1.00 0.15 C ATOM 1165 C PHE A 73 -2.243 -1.538 2.476 1.00 0.15 C ATOM 1166 O PHE A 73 -3.014 -2.499 2.455 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.776 0.780 1.665 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.517 0.222 0.483 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.826 -0.217 -0.629 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.898 0.147 0.482 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.497 -0.722 -1.725 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.575 -0.359 -0.610 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.874 -0.792 -1.715 1.00 0.15 C ATOM 0 H PHE A 73 -1.302 1.181 3.605 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.749 -0.257 3.274 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.239 1.722 1.959 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.754 1.008 1.364 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.747 -0.165 -0.642 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.452 0.488 1.344 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -2.944 -1.062 -2.588 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.653 -0.415 -0.598 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.402 -1.185 -2.571 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.951 -1.645 2.171 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.373 -2.929 1.782 1.00 0.19 C ATOM 1185 C VAL A 74 -0.366 -3.871 2.970 1.00 0.19 C ATOM 1186 O VAL A 74 -0.295 -5.089 2.815 1.00 0.21 O ATOM 1187 CB VAL A 74 1.066 -2.798 1.232 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.199 -1.529 0.423 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.108 -2.837 2.342 1.00 0.24 C ATOM 0 H VAL A 74 -0.291 -0.867 2.185 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.996 -3.325 0.980 1.00 0.19 H new ATOM 0 HB VAL A 74 1.252 -3.656 0.586 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.216 -1.446 0.040 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.498 -1.554 -0.412 1.00 0.28 H new ATOM 0 HG13 VAL A 74 0.979 -0.669 1.056 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.104 -2.742 1.910 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.933 -2.014 3.035 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.034 -3.784 2.877 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.420 -3.287 4.160 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.526 -4.057 5.386 1.00 0.23 C ATOM 1201 C LYS A 75 -1.701 -5.016 5.315 1.00 0.24 C ATOM 1202 O LYS A 75 -1.574 -6.195 5.643 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.667 -3.145 6.604 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.257 -3.853 7.808 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.223 -3.000 9.059 1.00 0.58 C ATOM 1206 CE LYS A 75 -1.948 -3.693 10.200 1.00 1.08 C ATOM 1207 NZ LYS A 75 -1.528 -5.113 10.341 1.00 1.85 N ATOM 0 H LYS A 75 -0.392 -2.277 4.299 1.00 0.20 H new ATOM 0 HA LYS A 75 0.394 -4.632 5.495 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.312 -2.746 6.868 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.298 -2.295 6.344 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -2.288 -4.133 7.591 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.707 -4.777 7.987 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -0.189 -2.804 9.344 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -1.687 -2.034 8.860 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -1.751 -3.162 11.131 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -3.023 -3.648 10.028 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -1.840 -5.477 11.264 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -1.958 -5.679 9.582 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -0.492 -5.177 10.276 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.834 -4.509 4.860 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.029 -5.317 4.744 1.00 0.24 C ATOM 1223 C GLU A 76 -3.800 -6.419 3.719 1.00 0.24 C ATOM 1224 O GLU A 76 -4.234 -7.550 3.901 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.214 -4.450 4.333 1.00 0.28 C ATOM 1226 CG GLU A 76 -6.548 -5.149 4.493 1.00 1.05 C ATOM 1227 CD GLU A 76 -6.925 -5.364 5.943 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -7.686 -4.548 6.501 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -6.467 -6.364 6.529 1.00 1.31 O ATOM 0 H GLU A 76 -2.948 -3.539 4.565 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.252 -5.769 5.711 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.214 -3.539 4.931 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -5.092 -4.148 3.293 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -7.323 -4.559 4.004 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.512 -6.112 3.985 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.089 -6.083 2.653 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.733 -7.056 1.636 1.00 0.22 C ATOM 1238 C ALA A 77 -1.899 -8.200 2.221 1.00 0.22 C ATOM 1239 O ALA A 77 -2.010 -9.341 1.779 1.00 0.24 O ATOM 1240 CB ALA A 77 -1.997 -6.375 0.498 1.00 0.24 C ATOM 0 H ALA A 77 -2.747 -5.139 2.471 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.653 -7.493 1.247 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.735 -7.114 -0.259 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.638 -5.613 0.055 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.089 -5.908 0.880 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.071 -7.898 3.222 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.329 -8.941 3.931 1.00 0.30 C ATOM 1248 C LYS A 78 -1.286 -9.716 4.824 1.00 0.31 C ATOM 1249 O LYS A 78 -1.153 -10.921 5.002 1.00 0.37 O ATOM 1250 CB LYS A 78 0.782 -8.362 4.825 1.00 0.42 C ATOM 1251 CG LYS A 78 1.595 -7.224 4.228 1.00 0.84 C ATOM 1252 CD LYS A 78 2.210 -6.366 5.331 1.00 0.72 C ATOM 1253 CE LYS A 78 3.119 -7.171 6.238 1.00 1.08 C ATOM 1254 NZ LYS A 78 3.403 -6.464 7.513 1.00 1.88 N ATOM 0 H LYS A 78 -0.898 -6.950 3.557 1.00 0.24 H new ATOM 0 HA LYS A 78 0.129 -9.581 3.176 1.00 0.30 H new ATOM 0 HB2 LYS A 78 0.329 -8.010 5.752 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.465 -9.169 5.090 1.00 0.42 H new ATOM 0 HG2 LYS A 78 2.383 -7.628 3.592 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.957 -6.608 3.594 1.00 0.84 H new ATOM 0 HD2 LYS A 78 2.776 -5.550 4.882 1.00 0.72 H new ATOM 0 HD3 LYS A 78 1.415 -5.914 5.924 1.00 0.72 H new ATOM 0 HE2 LYS A 78 2.656 -8.134 6.453 1.00 1.08 H new ATOM 0 HE3 LYS A 78 4.056 -7.377 5.721 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 4.412 -6.217 7.556 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 2.832 -5.596 7.563 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 3.164 -7.083 8.314 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.268 -9.009 5.364 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.168 -9.562 6.362 1.00 0.36 C ATOM 1270 C ASP A 79 -4.155 -10.549 5.750 1.00 0.34 C ATOM 1271 O ASP A 79 -4.433 -11.595 6.333 1.00 0.38 O ATOM 1272 CB ASP A 79 -3.907 -8.436 7.081 1.00 0.41 C ATOM 1273 CG ASP A 79 -3.176 -7.954 8.325 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -3.188 -8.664 9.358 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -2.579 -6.858 8.275 1.00 1.60 O ATOM 0 H ASP A 79 -2.462 -8.037 5.122 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.568 -10.113 7.086 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -4.040 -7.599 6.396 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.903 -8.781 7.360 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.671 -10.231 4.568 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.617 -11.124 3.899 1.00 0.32 C ATOM 1282 C ILE A 80 -4.866 -12.089 2.997 1.00 0.30 C ATOM 1283 O ILE A 80 -5.425 -13.053 2.473 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.703 -10.352 3.096 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.430 -10.321 1.578 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.827 -8.939 3.635 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.305 -9.408 1.146 1.00 0.22 C ATOM 0 H ILE A 80 -4.456 -9.375 4.057 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.142 -11.683 4.673 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.641 -10.890 3.229 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.203 -11.334 1.245 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.343 -10.014 1.067 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.588 -8.400 3.071 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.112 -8.974 4.687 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.870 -8.426 3.535 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.192 -9.457 0.063 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.534 -8.384 1.441 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.377 -9.724 1.622 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.579 -11.791 2.851 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.650 -12.589 2.059 1.00 0.29 C ATOM 1301 C LYS A 81 -2.973 -12.486 0.578 1.00 0.29 C ATOM 1302 O LYS A 81 -3.357 -13.461 -0.068 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.637 -14.054 2.515 1.00 0.36 C ATOM 1304 CG LYS A 81 -2.205 -14.243 3.962 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.766 -13.799 4.189 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.358 -13.978 5.644 1.00 0.53 C ATOM 1307 NZ LYS A 81 -1.183 -13.143 6.558 1.00 1.47 N ATOM 0 H LYS A 81 -3.146 -10.976 3.286 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.650 -12.185 2.219 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.634 -14.474 2.386 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.966 -14.620 1.868 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.867 -13.675 4.615 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -2.309 -15.293 4.237 1.00 0.39 H new ATOM 0 HD2 LYS A 81 -0.099 -14.376 3.548 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.656 -12.753 3.904 1.00 0.40 H new ATOM 0 HE2 LYS A 81 -0.457 -15.027 5.922 1.00 0.53 H new ATOM 0 HE3 LYS A 81 0.693 -13.715 5.761 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 -0.609 -12.852 7.375 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -1.517 -12.299 6.051 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 -2.001 -13.694 6.888 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.828 -11.284 0.050 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.046 -11.067 -1.357 1.00 0.26 C ATOM 1323 C GLY A 82 -1.815 -10.562 -2.078 1.00 0.22 C ATOM 1324 O GLY A 82 -0.682 -10.873 -1.706 1.00 0.23 O ATOM 0 H GLY A 82 -2.562 -10.452 0.576 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.371 -12.000 -1.816 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.856 -10.349 -1.487 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.054 -9.808 -3.137 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.006 -9.168 -3.910 1.00 0.17 C ATOM 1330 C LYS A 83 -1.237 -7.665 -3.899 1.00 0.16 C ATOM 1331 O LYS A 83 -2.377 -7.216 -3.773 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.001 -9.675 -5.356 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.150 -10.913 -5.562 1.00 0.26 C ATOM 1334 CD LYS A 83 -0.742 -12.124 -4.875 1.00 0.30 C ATOM 1335 CE LYS A 83 0.347 -13.019 -4.324 1.00 0.42 C ATOM 1336 NZ LYS A 83 1.209 -13.588 -5.397 1.00 1.06 N ATOM 0 H LYS A 83 -2.993 -9.621 -3.488 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.041 -9.408 -3.463 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.025 -9.894 -5.659 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.638 -8.882 -6.009 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.052 -11.113 -6.629 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.854 -10.732 -5.178 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.399 -11.803 -4.066 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.356 -12.684 -5.581 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.964 -12.450 -3.629 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.106 -13.832 -3.756 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.885 -14.259 -4.980 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.616 -14.082 -6.093 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.729 -12.820 -5.868 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.179 -6.893 -4.038 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.300 -5.447 -4.002 1.00 0.15 C ATOM 1352 C LEU A 84 -0.104 -4.866 -5.398 1.00 0.15 C ATOM 1353 O LEU A 84 0.769 -5.302 -6.142 1.00 0.17 O ATOM 1354 CB LEU A 84 0.719 -4.870 -3.016 1.00 0.16 C ATOM 1355 CG LEU A 84 0.476 -3.426 -2.560 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.012 -2.437 -3.581 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.008 -3.180 -2.307 1.00 0.15 C ATOM 0 H LEU A 84 0.771 -7.239 -4.176 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.300 -5.175 -3.664 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.742 -5.509 -2.133 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.707 -4.923 -3.474 1.00 0.16 H new ATOM 0 HG LEU A 84 1.014 -3.275 -1.624 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.827 -1.420 -3.234 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.084 -2.589 -3.706 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.510 -2.592 -4.536 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.156 -2.149 -1.985 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.568 -3.357 -3.225 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.362 -3.858 -1.530 1.00 0.15 H new ATOM 1369 N THR A 85 -0.938 -3.899 -5.745 1.00 0.16 N ATOM 1370 CA THR A 85 -0.867 -3.231 -7.030 1.00 0.17 C ATOM 1371 C THR A 85 -0.743 -1.718 -6.848 1.00 0.17 C ATOM 1372 O THR A 85 -1.540 -1.098 -6.146 1.00 0.21 O ATOM 1373 CB THR A 85 -2.122 -3.541 -7.871 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.194 -4.945 -8.135 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.123 -2.771 -9.185 1.00 0.20 C ATOM 0 H THR A 85 -1.684 -3.556 -5.140 1.00 0.16 H new ATOM 0 HA THR A 85 0.016 -3.602 -7.550 1.00 0.17 H new ATOM 0 HB THR A 85 -2.994 -3.227 -7.297 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.994 -5.137 -8.668 1.00 0.20 H new ATOM 0 HG21 THR A 85 -3.023 -3.016 -9.749 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.104 -1.701 -8.980 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.243 -3.045 -9.768 1.00 0.20 H new ATOM 1383 N LEU A 86 0.272 -1.136 -7.465 1.00 0.16 N ATOM 1384 CA LEU A 86 0.454 0.309 -7.447 1.00 0.18 C ATOM 1385 C LEU A 86 -0.137 0.910 -8.720 1.00 0.19 C ATOM 1386 O LEU A 86 0.387 0.710 -9.809 1.00 0.21 O ATOM 1387 CB LEU A 86 1.956 0.635 -7.305 1.00 0.22 C ATOM 1388 CG LEU A 86 2.356 2.126 -7.286 1.00 0.53 C ATOM 1389 CD1 LEU A 86 2.438 2.697 -8.697 1.00 1.45 C ATOM 1390 CD2 LEU A 86 1.385 2.939 -6.435 1.00 1.51 C ATOM 0 H LEU A 86 0.986 -1.643 -7.987 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.067 0.746 -6.595 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.315 0.177 -6.383 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.485 0.154 -8.127 1.00 0.22 H new ATOM 0 HG LEU A 86 3.347 2.195 -6.838 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.722 3.748 -8.648 1.00 1.45 H new ATOM 0 HD12 LEU A 86 3.184 2.146 -9.270 1.00 1.45 H new ATOM 0 HD13 LEU A 86 1.467 2.606 -9.184 1.00 1.45 H new ATOM 0 HD21 LEU A 86 1.688 3.986 -6.437 1.00 1.51 H new ATOM 0 HD22 LEU A 86 0.379 2.851 -6.846 1.00 1.51 H new ATOM 0 HD23 LEU A 86 1.393 2.561 -5.413 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.242 1.620 -8.575 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.893 2.282 -9.699 1.00 0.23 C ATOM 1404 C LEU A 87 -1.188 3.593 -10.001 1.00 0.26 C ATOM 1405 O LEU A 87 -0.605 4.206 -9.110 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.364 2.560 -9.393 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.199 1.346 -8.999 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.586 1.789 -8.566 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.290 0.360 -10.154 1.00 0.24 C ATOM 0 H LEU A 87 -1.714 1.755 -7.681 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.835 1.621 -10.563 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.416 3.291 -8.586 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.818 3.021 -10.270 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.713 0.844 -8.162 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.176 0.916 -8.286 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.503 2.460 -7.711 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.075 2.309 -9.389 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.890 -0.499 -9.853 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.757 0.846 -11.011 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.289 0.026 -10.427 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.234 4.028 -11.245 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.577 5.267 -11.601 1.00 0.41 C ATOM 1423 C GLN A 88 -1.576 6.263 -12.163 1.00 0.47 C ATOM 1424 O GLN A 88 -2.427 5.922 -12.986 1.00 0.52 O ATOM 1425 CB GLN A 88 0.555 5.008 -12.603 1.00 0.50 C ATOM 1426 CG GLN A 88 1.301 6.257 -13.072 1.00 0.73 C ATOM 1427 CD GLN A 88 1.847 7.113 -11.937 1.00 1.23 C ATOM 1428 OE1 GLN A 88 1.249 7.217 -10.866 1.00 1.93 O ATOM 1429 NE2 GLN A 88 2.995 7.728 -12.163 1.00 1.78 N ATOM 0 H GLN A 88 -1.710 3.552 -12.012 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.143 5.696 -10.698 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.272 4.324 -12.149 1.00 0.50 H new ATOM 0 HB3 GLN A 88 0.140 4.502 -13.475 1.00 0.50 H new ATOM 0 HG2 GLN A 88 2.127 5.954 -13.715 1.00 0.73 H new ATOM 0 HG3 GLN A 88 0.629 6.863 -13.680 1.00 0.73 H new ATOM 0 HE21 GLN A 88 3.463 7.619 -13.063 1.00 1.78 H new ATOM 0 HE22 GLN A 88 3.413 8.311 -11.438 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.422 7.500 -11.697 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.293 8.625 -12.019 1.00 0.58 C ATOM 1440 C HIS A 89 -2.056 9.712 -10.977 1.00 0.56 C ATOM 1441 O HIS A 89 -1.754 10.856 -11.309 1.00 0.58 O ATOM 1442 CB HIS A 89 -3.776 8.217 -12.028 1.00 0.66 C ATOM 1443 CG HIS A 89 -4.727 9.343 -12.300 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -5.638 9.795 -11.371 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -4.917 10.099 -13.407 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -6.350 10.775 -11.896 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -5.932 10.980 -13.130 1.00 1.67 N ATOM 0 H HIS A 89 -0.663 7.754 -11.065 1.00 0.50 H new ATOM 0 HA HIS A 89 -2.057 8.985 -13.020 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -3.923 7.444 -12.782 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.024 7.773 -11.064 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -4.371 10.023 -14.336 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -7.141 11.317 -11.399 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -6.303 11.679 -13.773 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.177 9.327 -9.708 1.00 0.58 N ATOM 1457 CA PHE A 90 -1.904 10.219 -8.590 1.00 0.61 C ATOM 1458 C PHE A 90 -0.447 10.680 -8.586 1.00 0.61 C ATOM 1459 O PHE A 90 -0.175 11.873 -8.549 1.00 0.60 O ATOM 1460 CB PHE A 90 -2.229 9.495 -7.288 1.00 0.74 C ATOM 1461 CG PHE A 90 -2.129 10.341 -6.050 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -1.005 10.284 -5.241 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -3.176 11.169 -5.677 1.00 2.87 C ATOM 1464 CE1 PHE A 90 -0.928 11.037 -4.085 1.00 2.57 C ATOM 1465 CE2 PHE A 90 -3.102 11.926 -4.526 1.00 3.95 C ATOM 1466 CZ PHE A 90 -1.978 11.859 -3.726 1.00 3.79 C ATOM 0 H PHE A 90 -2.467 8.389 -9.429 1.00 0.58 H new ATOM 0 HA PHE A 90 -2.529 11.107 -8.690 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -3.240 9.094 -7.355 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -1.555 8.645 -7.184 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.180 9.644 -5.517 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -4.060 11.222 -6.295 1.00 2.87 H new ATOM 0 HE1 PHE A 90 -0.047 10.983 -3.463 1.00 2.57 H new ATOM 0 HE2 PHE A 90 -3.923 12.571 -4.250 1.00 3.95 H new ATOM 0 HZ PHE A 90 -1.920 12.448 -2.822 1.00 3.79 H new ATOM 1510 N PHE A 94 0.138 14.481 -8.413 1.00 0.65 N ATOM 1511 CA PHE A 94 0.304 15.007 -7.067 1.00 0.62 C ATOM 1512 C PHE A 94 1.792 15.136 -6.736 1.00 0.55 C ATOM 1513 O PHE A 94 2.609 14.347 -7.216 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.390 14.068 -6.074 1.00 0.63 C ATOM 1515 CG PHE A 94 -0.796 14.716 -4.778 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.009 14.593 -3.644 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -1.974 15.441 -4.694 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.388 15.184 -2.453 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.358 16.033 -3.506 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.564 15.905 -2.385 1.00 2.62 C ATOM 0 HA PHE A 94 -0.147 15.997 -6.999 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -1.277 13.649 -6.549 1.00 0.63 H new ATOM 0 HB3 PHE A 94 0.278 13.235 -5.855 1.00 0.63 H new ATOM 0 HD1 PHE A 94 0.911 14.029 -3.691 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.600 15.545 -5.568 1.00 1.16 H new ATOM 0 HE1 PHE A 94 0.235 15.082 -1.577 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -3.279 16.595 -3.455 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.862 16.368 -1.456 1.00 2.62 H new ATOM 1530 N PRO A 95 2.160 16.154 -5.931 1.00 0.57 N ATOM 1531 CA PRO A 95 3.552 16.400 -5.514 1.00 0.56 C ATOM 1532 C PRO A 95 4.186 15.253 -4.717 1.00 0.50 C ATOM 1533 O PRO A 95 5.359 15.329 -4.357 1.00 0.68 O ATOM 1534 CB PRO A 95 3.458 17.656 -4.636 1.00 0.61 C ATOM 1535 CG PRO A 95 2.024 17.754 -4.249 1.00 0.62 C ATOM 1536 CD PRO A 95 1.255 17.191 -5.406 1.00 0.69 C ATOM 0 HA PRO A 95 4.193 16.505 -6.389 1.00 0.56 H new ATOM 0 HB2 PRO A 95 4.098 17.572 -3.758 1.00 0.61 H new ATOM 0 HB3 PRO A 95 3.780 18.543 -5.181 1.00 0.61 H new ATOM 0 HG2 PRO A 95 1.825 17.193 -3.336 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.740 18.788 -4.056 1.00 0.62 H new ATOM 0 HD2 PRO A 95 0.300 16.771 -5.090 1.00 0.69 H new ATOM 0 HD3 PRO A 95 1.036 17.953 -6.154 1.00 0.69 H new ATOM 1544 N ILE A 96 3.426 14.201 -4.418 1.00 0.36 N ATOM 1545 CA ILE A 96 4.011 13.029 -3.781 1.00 0.29 C ATOM 1546 C ILE A 96 4.220 11.935 -4.805 1.00 0.31 C ATOM 1547 O ILE A 96 3.266 11.331 -5.293 1.00 0.34 O ATOM 1548 CB ILE A 96 3.187 12.458 -2.614 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.804 13.543 -1.627 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.021 11.425 -1.898 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.140 13.021 -0.367 1.00 0.24 C ATOM 0 H ILE A 96 2.425 14.138 -4.603 1.00 0.36 H new ATOM 0 HA ILE A 96 4.956 13.372 -3.360 1.00 0.29 H new ATOM 0 HB ILE A 96 2.274 12.019 -3.015 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.699 14.101 -1.350 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.130 14.245 -2.117 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.451 11.010 -1.067 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.286 10.627 -2.591 1.00 0.26 H new ATOM 0 HG23 ILE A 96 4.930 11.891 -1.518 1.00 0.26 H new ATOM 0 HD11 ILE A 96 1.896 13.857 0.289 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.226 12.488 -0.631 1.00 0.24 H new ATOM 0 HD13 ILE A 96 2.820 12.342 0.148 1.00 0.24 H new ATOM 1563 N LYS A 97 5.475 11.698 -5.128 1.00 0.35 N ATOM 1564 CA LYS A 97 5.837 10.692 -6.102 1.00 0.38 C ATOM 1565 C LYS A 97 6.781 9.696 -5.447 1.00 0.35 C ATOM 1566 O LYS A 97 7.826 10.081 -4.912 1.00 0.44 O ATOM 1567 CB LYS A 97 6.495 11.353 -7.313 1.00 0.50 C ATOM 1568 CG LYS A 97 5.763 12.597 -7.786 1.00 0.75 C ATOM 1569 CD LYS A 97 6.453 13.235 -8.974 1.00 0.78 C ATOM 1570 CE LYS A 97 5.767 14.528 -9.383 1.00 0.91 C ATOM 1571 NZ LYS A 97 4.324 14.322 -9.675 1.00 1.38 N ATOM 0 H LYS A 97 6.269 12.195 -4.724 1.00 0.35 H new ATOM 0 HA LYS A 97 4.947 10.167 -6.449 1.00 0.38 H new ATOM 0 HB2 LYS A 97 7.522 11.617 -7.061 1.00 0.50 H new ATOM 0 HB3 LYS A 97 6.542 10.634 -8.131 1.00 0.50 H new ATOM 0 HG2 LYS A 97 4.740 12.336 -8.056 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.704 13.317 -6.970 1.00 0.75 H new ATOM 0 HD2 LYS A 97 7.495 13.436 -8.727 1.00 0.78 H new ATOM 0 HD3 LYS A 97 6.453 12.540 -9.813 1.00 0.78 H new ATOM 0 HE2 LYS A 97 5.875 15.264 -8.586 1.00 0.91 H new ATOM 0 HE3 LYS A 97 6.261 14.938 -10.264 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 3.989 15.071 -10.314 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 4.190 13.395 -10.127 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 3.782 14.356 -8.788 1.00 1.38 H new ATOM 1585 N VAL A 98 6.424 8.421 -5.487 1.00 0.30 N ATOM 1586 CA VAL A 98 7.114 7.412 -4.689 1.00 0.26 C ATOM 1587 C VAL A 98 7.195 6.075 -5.413 1.00 0.28 C ATOM 1588 O VAL A 98 6.638 5.913 -6.500 1.00 0.33 O ATOM 1589 CB VAL A 98 6.406 7.198 -3.334 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.381 8.492 -2.535 1.00 0.25 C ATOM 1591 CG2 VAL A 98 4.994 6.665 -3.542 1.00 0.21 C ATOM 0 H VAL A 98 5.663 8.059 -6.061 1.00 0.30 H new ATOM 0 HA VAL A 98 8.124 7.786 -4.523 1.00 0.26 H new ATOM 0 HB VAL A 98 6.968 6.456 -2.767 1.00 0.21 H new ATOM 0 HG11 VAL A 98 5.878 8.322 -1.583 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.402 8.826 -2.351 1.00 0.25 H new ATOM 0 HG13 VAL A 98 5.845 9.256 -3.097 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.513 6.521 -2.574 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.419 7.379 -4.131 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.039 5.712 -4.070 1.00 0.21 H new ATOM 1601 N ASP A 99 7.909 5.131 -4.807 1.00 0.28 N ATOM 1602 CA ASP A 99 8.002 3.773 -5.329 1.00 0.32 C ATOM 1603 C ASP A 99 7.979 2.765 -4.190 1.00 0.23 C ATOM 1604 O ASP A 99 8.621 2.964 -3.154 1.00 0.27 O ATOM 1605 CB ASP A 99 9.268 3.579 -6.165 1.00 0.51 C ATOM 1606 CG ASP A 99 9.145 4.140 -7.566 1.00 0.63 C ATOM 1607 OD1 ASP A 99 8.574 3.452 -8.445 1.00 1.11 O ATOM 1608 OD2 ASP A 99 9.606 5.280 -7.792 1.00 0.98 O ATOM 0 H ASP A 99 8.435 5.285 -3.947 1.00 0.28 H new ATOM 0 HA ASP A 99 7.139 3.609 -5.975 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.107 4.058 -5.660 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.498 2.515 -6.225 1.00 0.51 H new ATOM 1613 N LEU A 100 7.229 1.692 -4.388 1.00 0.19 N ATOM 1614 CA LEU A 100 7.036 0.675 -3.369 1.00 0.13 C ATOM 1615 C LEU A 100 8.004 -0.485 -3.558 1.00 0.13 C ATOM 1616 O LEU A 100 8.246 -0.925 -4.682 1.00 0.16 O ATOM 1617 CB LEU A 100 5.603 0.147 -3.428 1.00 0.18 C ATOM 1618 CG LEU A 100 4.498 1.151 -3.092 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.366 2.228 -4.159 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.179 0.426 -2.923 1.00 0.35 C ATOM 0 H LEU A 100 6.737 1.503 -5.261 1.00 0.19 H new ATOM 0 HA LEU A 100 7.226 1.132 -2.398 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.421 -0.239 -4.431 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.520 -0.696 -2.742 1.00 0.18 H new ATOM 0 HG LEU A 100 4.770 1.644 -2.158 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.571 2.920 -3.881 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.307 2.772 -4.245 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.126 1.765 -5.116 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.396 1.146 -2.684 1.00 0.35 H new ATOM 0 HD22 LEU A 100 2.926 -0.091 -3.849 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.264 -0.300 -2.114 1.00 0.35 H new ATOM 1632 N TYR A 101 8.545 -0.983 -2.454 1.00 0.13 N ATOM 1633 CA TYR A 101 9.468 -2.113 -2.485 1.00 0.16 C ATOM 1634 C TYR A 101 9.060 -3.169 -1.462 1.00 0.16 C ATOM 1635 O TYR A 101 8.601 -2.837 -0.366 1.00 0.19 O ATOM 1636 CB TYR A 101 10.903 -1.648 -2.203 1.00 0.19 C ATOM 1637 CG TYR A 101 11.634 -1.088 -3.407 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.117 -0.027 -4.136 1.00 0.20 C ATOM 1639 CD2 TYR A 101 12.851 -1.624 -3.808 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.787 0.482 -5.228 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.529 -1.120 -4.900 1.00 0.30 C ATOM 1642 CZ TYR A 101 12.992 -0.067 -5.606 1.00 0.28 C ATOM 1643 OH TYR A 101 13.662 0.445 -6.692 1.00 0.33 O ATOM 0 H TYR A 101 8.360 -0.620 -1.519 1.00 0.13 H new ATOM 0 HA TYR A 101 9.428 -2.552 -3.482 1.00 0.16 H new ATOM 0 HB2 TYR A 101 10.877 -0.886 -1.424 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.472 -2.489 -1.808 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.173 0.408 -3.843 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.275 -2.450 -3.256 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.369 1.308 -5.785 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.474 -1.549 -5.198 1.00 0.30 H new ATOM 0 HH TYR A 101 13.284 1.318 -6.927 1.00 0.33 H new ATOM 1653 N PHE A 102 9.212 -4.436 -1.832 1.00 0.16 N ATOM 1654 CA PHE A 102 8.982 -5.540 -0.909 1.00 0.16 C ATOM 1655 C PHE A 102 10.294 -6.236 -0.577 1.00 0.15 C ATOM 1656 O PHE A 102 11.239 -6.223 -1.366 1.00 0.19 O ATOM 1657 CB PHE A 102 8.030 -6.594 -1.489 1.00 0.20 C ATOM 1658 CG PHE A 102 6.592 -6.180 -1.601 1.00 0.16 C ATOM 1659 CD1 PHE A 102 5.969 -5.478 -0.587 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.853 -6.531 -2.717 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.634 -5.129 -0.685 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.522 -6.183 -2.821 1.00 0.34 C ATOM 1663 CZ PHE A 102 3.913 -5.481 -1.803 1.00 0.31 C ATOM 0 H PHE A 102 9.495 -4.724 -2.769 1.00 0.16 H new ATOM 0 HA PHE A 102 8.533 -5.105 -0.016 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.387 -6.873 -2.480 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.084 -7.488 -0.867 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.531 -5.199 0.292 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.324 -7.084 -3.516 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.158 -4.581 0.115 1.00 0.27 H new ATOM 0 HE2 PHE A 102 3.958 -6.460 -3.699 1.00 0.34 H new ATOM 0 HZ PHE A 102 2.871 -5.208 -1.883 1.00 0.31 H new ATOM 1673 N LEU A 103 10.327 -6.849 0.589 1.00 0.16 N ATOM 1674 CA LEU A 103 11.448 -7.663 1.017 1.00 0.17 C ATOM 1675 C LEU A 103 10.981 -9.114 1.104 1.00 0.18 C ATOM 1676 O LEU A 103 10.089 -9.426 1.887 1.00 0.19 O ATOM 1677 CB LEU A 103 11.931 -7.172 2.394 1.00 0.18 C ATOM 1678 CG LEU A 103 13.382 -7.494 2.793 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.656 -8.991 2.810 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.365 -6.793 1.871 1.00 0.25 C ATOM 0 H LEU A 103 9.571 -6.796 1.272 1.00 0.16 H new ATOM 0 HA LEU A 103 12.273 -7.587 0.309 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.805 -6.090 2.429 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.272 -7.595 3.152 1.00 0.18 H new ATOM 0 HG LEU A 103 13.519 -7.122 3.808 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.693 -9.168 3.097 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.993 -9.474 3.528 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.479 -9.405 1.817 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.384 -7.036 2.173 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.202 -7.124 0.846 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.216 -5.715 1.932 1.00 0.25 H new ATOM 1692 N LYS A 104 11.538 -9.988 0.277 1.00 0.23 N ATOM 1693 CA LYS A 104 11.201 -11.406 0.341 1.00 0.29 C ATOM 1694 C LYS A 104 12.455 -12.247 0.519 1.00 0.33 C ATOM 1695 O LYS A 104 13.272 -12.367 -0.395 1.00 0.39 O ATOM 1696 CB LYS A 104 10.431 -11.856 -0.900 1.00 0.42 C ATOM 1697 CG LYS A 104 8.968 -11.431 -0.889 1.00 0.60 C ATOM 1698 CD LYS A 104 8.765 -10.049 -1.492 1.00 0.64 C ATOM 1699 CE LYS A 104 8.469 -10.113 -2.985 1.00 0.66 C ATOM 1700 NZ LYS A 104 9.486 -10.891 -3.743 1.00 1.22 N ATOM 0 H LYS A 104 12.220 -9.744 -0.441 1.00 0.23 H new ATOM 0 HA LYS A 104 10.555 -11.552 1.206 1.00 0.29 H new ATOM 0 HB2 LYS A 104 10.914 -11.447 -1.787 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.486 -12.942 -0.979 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.376 -12.158 -1.445 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.598 -11.436 0.136 1.00 0.60 H new ATOM 0 HD2 LYS A 104 7.943 -9.548 -0.981 1.00 0.64 H new ATOM 0 HD3 LYS A 104 9.658 -9.447 -1.325 1.00 0.64 H new ATOM 0 HE2 LYS A 104 7.488 -10.562 -3.137 1.00 0.66 H new ATOM 0 HE3 LYS A 104 8.421 -9.100 -3.385 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 9.253 -10.873 -4.756 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 10.425 -10.470 -3.596 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 9.492 -11.875 -3.407 1.00 1.22 H new ATOM 1714 N GLY A 105 12.606 -12.817 1.707 1.00 0.34 N ATOM 1715 CA GLY A 105 13.785 -13.593 2.020 1.00 0.42 C ATOM 1716 C GLY A 105 14.991 -12.704 2.187 1.00 0.40 C ATOM 1717 O GLY A 105 15.167 -12.070 3.226 1.00 0.40 O ATOM 0 H GLY A 105 11.925 -12.753 2.464 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.618 -14.161 2.935 1.00 0.42 H new ATOM 0 HA3 GLY A 105 13.970 -14.316 1.226 1.00 0.42 H new ATOM 1721 N SER A 106 15.815 -12.648 1.161 1.00 0.40 N ATOM 1722 CA SER A 106 16.922 -11.715 1.131 1.00 0.41 C ATOM 1723 C SER A 106 16.794 -10.815 -0.088 1.00 0.37 C ATOM 1724 O SER A 106 17.555 -9.870 -0.265 1.00 0.41 O ATOM 1725 CB SER A 106 18.253 -12.466 1.101 1.00 0.52 C ATOM 1726 OG SER A 106 18.274 -13.424 0.054 1.00 1.31 O ATOM 0 H SER A 106 15.738 -13.240 0.334 1.00 0.40 H new ATOM 0 HA SER A 106 16.897 -11.103 2.032 1.00 0.41 H new ATOM 0 HB2 SER A 106 19.071 -11.758 0.967 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.415 -12.964 2.057 1.00 0.52 H new ATOM 0 HG SER A 106 19.136 -13.890 0.054 1.00 1.31 H new ATOM 1732 N LYS A 107 15.804 -11.102 -0.915 1.00 0.36 N ATOM 1733 CA LYS A 107 15.647 -10.412 -2.180 1.00 0.37 C ATOM 1734 C LYS A 107 14.657 -9.258 -2.059 1.00 0.32 C ATOM 1735 O LYS A 107 13.474 -9.459 -1.772 1.00 0.39 O ATOM 1736 CB LYS A 107 15.180 -11.398 -3.254 1.00 0.47 C ATOM 1737 CG LYS A 107 15.057 -10.787 -4.638 1.00 0.65 C ATOM 1738 CD LYS A 107 16.399 -10.301 -5.153 1.00 0.95 C ATOM 1739 CE LYS A 107 16.276 -9.704 -6.541 1.00 1.57 C ATOM 1740 NZ LYS A 107 17.583 -9.216 -7.052 1.00 2.27 N ATOM 0 H LYS A 107 15.095 -11.812 -0.731 1.00 0.36 H new ATOM 0 HA LYS A 107 16.613 -9.997 -2.466 1.00 0.37 H new ATOM 0 HB2 LYS A 107 15.880 -12.232 -3.297 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.213 -11.808 -2.961 1.00 0.47 H new ATOM 0 HG2 LYS A 107 14.647 -11.525 -5.328 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.354 -9.954 -4.608 1.00 0.65 H new ATOM 0 HD2 LYS A 107 16.804 -9.555 -4.469 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.105 -11.131 -5.174 1.00 0.95 H new ATOM 0 HE2 LYS A 107 15.876 -10.453 -7.224 1.00 1.57 H new ATOM 0 HE3 LYS A 107 15.564 -8.879 -6.520 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 17.428 -8.403 -7.681 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 18.182 -8.926 -6.253 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 18.055 -9.977 -7.580 1.00 2.27 H new ATOM 1754 N VAL A 108 15.154 -8.049 -2.265 1.00 0.24 N ATOM 1755 CA VAL A 108 14.302 -6.873 -2.306 1.00 0.22 C ATOM 1756 C VAL A 108 13.826 -6.627 -3.738 1.00 0.23 C ATOM 1757 O VAL A 108 14.619 -6.657 -4.683 1.00 0.30 O ATOM 1758 CB VAL A 108 15.024 -5.617 -1.757 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.432 -5.521 -2.303 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.236 -4.359 -2.083 1.00 0.79 C ATOM 0 H VAL A 108 16.146 -7.857 -2.407 1.00 0.24 H new ATOM 0 HA VAL A 108 13.442 -7.061 -1.663 1.00 0.22 H new ATOM 0 HB VAL A 108 15.087 -5.711 -0.673 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.918 -4.631 -1.903 1.00 0.74 H new ATOM 0 HG12 VAL A 108 16.997 -6.406 -2.010 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.397 -5.457 -3.391 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.760 -3.489 -1.689 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.135 -4.263 -3.164 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.246 -4.422 -1.631 1.00 0.79 H new ATOM 1770 N MET A 109 12.530 -6.405 -3.891 1.00 0.22 N ATOM 1771 CA MET A 109 11.918 -6.254 -5.204 1.00 0.27 C ATOM 1772 C MET A 109 10.927 -5.095 -5.217 1.00 0.24 C ATOM 1773 O MET A 109 10.074 -4.995 -4.337 1.00 0.25 O ATOM 1774 CB MET A 109 11.199 -7.544 -5.597 1.00 0.36 C ATOM 1775 CG MET A 109 12.132 -8.686 -5.963 1.00 0.44 C ATOM 1776 SD MET A 109 13.141 -8.322 -7.414 1.00 1.47 S ATOM 1777 CE MET A 109 11.874 -8.137 -8.668 1.00 1.85 C ATOM 0 H MET A 109 11.875 -6.325 -3.114 1.00 0.22 H new ATOM 0 HA MET A 109 12.709 -6.042 -5.923 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.563 -7.859 -4.770 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.543 -7.339 -6.443 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.784 -8.902 -5.117 1.00 0.44 H new ATOM 0 HG3 MET A 109 11.544 -9.584 -6.150 1.00 0.44 H new ATOM 0 HE1 MET A 109 12.334 -8.157 -9.656 1.00 1.85 H new ATOM 0 HE2 MET A 109 11.157 -8.954 -8.585 1.00 1.85 H new ATOM 0 HE3 MET A 109 11.359 -7.187 -8.527 1.00 1.85 H new ATOM 1787 N PRO A 110 11.036 -4.205 -6.214 1.00 0.24 N ATOM 1788 CA PRO A 110 10.118 -3.072 -6.380 1.00 0.23 C ATOM 1789 C PRO A 110 8.760 -3.501 -6.936 1.00 0.21 C ATOM 1790 O PRO A 110 8.625 -4.586 -7.509 1.00 0.20 O ATOM 1791 CB PRO A 110 10.853 -2.193 -7.386 1.00 0.27 C ATOM 1792 CG PRO A 110 11.605 -3.159 -8.217 1.00 0.29 C ATOM 1793 CD PRO A 110 12.074 -4.218 -7.264 1.00 0.28 C ATOM 0 HA PRO A 110 9.890 -2.578 -5.435 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.158 -1.605 -7.986 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.520 -1.489 -6.889 1.00 0.27 H new ATOM 0 HG2 PRO A 110 10.973 -3.583 -8.997 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.446 -2.678 -8.716 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.147 -5.192 -7.747 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.060 -3.989 -6.859 1.00 0.28 H new ATOM 1801 N LEU A 111 7.763 -2.643 -6.766 1.00 0.23 N ATOM 1802 CA LEU A 111 6.412 -2.918 -7.239 1.00 0.22 C ATOM 1803 C LEU A 111 6.289 -2.532 -8.710 1.00 0.22 C ATOM 1804 O LEU A 111 6.842 -1.520 -9.145 1.00 0.26 O ATOM 1805 CB LEU A 111 5.395 -2.112 -6.420 1.00 0.27 C ATOM 1806 CG LEU A 111 4.079 -2.814 -6.053 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.547 -3.685 -7.184 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.263 -3.627 -4.791 1.00 0.31 C ATOM 0 H LEU A 111 7.866 -1.742 -6.299 1.00 0.23 H new ATOM 0 HA LEU A 111 6.210 -3.983 -7.122 1.00 0.22 H new ATOM 0 HB2 LEU A 111 5.879 -1.796 -5.496 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.152 -1.208 -6.978 1.00 0.27 H new ATOM 0 HG LEU A 111 3.332 -2.040 -5.879 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.616 -4.158 -6.872 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.364 -3.068 -8.063 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.280 -4.454 -7.427 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.326 -4.122 -4.537 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.038 -4.377 -4.951 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.559 -2.969 -3.974 1.00 0.31 H new ATOM 1820 N ASN A 112 5.563 -3.337 -9.466 1.00 0.22 N ATOM 1821 CA ASN A 112 5.299 -3.041 -10.860 1.00 0.25 C ATOM 1822 C ASN A 112 3.992 -2.269 -10.973 1.00 0.23 C ATOM 1823 O ASN A 112 2.986 -2.637 -10.358 1.00 0.22 O ATOM 1824 CB ASN A 112 5.231 -4.331 -11.679 1.00 0.29 C ATOM 1825 CG ASN A 112 6.531 -5.110 -11.645 1.00 1.06 C ATOM 1826 OD1 ASN A 112 6.755 -5.926 -10.749 1.00 1.85 O ATOM 1827 ND2 ASN A 112 7.393 -4.876 -12.621 1.00 1.69 N ATOM 0 H ASN A 112 5.144 -4.206 -9.134 1.00 0.22 H new ATOM 0 HA ASN A 112 6.111 -2.432 -11.257 1.00 0.25 H new ATOM 0 HB2 ASN A 112 4.425 -4.958 -11.297 1.00 0.29 H new ATOM 0 HB3 ASN A 112 4.983 -4.089 -12.712 1.00 0.29 H new ATOM 0 HD21 ASN A 112 8.280 -5.379 -12.650 1.00 1.69 H new ATOM 0 HD22 ASN A 112 7.171 -4.192 -13.345 1.00 1.69 H new ATOM 1834 N THR A 113 4.021 -1.190 -11.739 1.00 0.29 N ATOM 1835 CA THR A 113 2.873 -0.313 -11.884 1.00 0.31 C ATOM 1836 C THR A 113 1.662 -1.063 -12.435 1.00 0.28 C ATOM 1837 O THR A 113 1.699 -1.602 -13.544 1.00 0.32 O ATOM 1838 CB THR A 113 3.202 0.862 -12.816 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.394 1.522 -12.366 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.048 1.850 -12.854 1.00 0.45 C ATOM 0 H THR A 113 4.838 -0.899 -12.275 1.00 0.29 H new ATOM 0 HA THR A 113 2.630 0.064 -10.891 1.00 0.31 H new ATOM 0 HB THR A 113 3.363 0.475 -13.822 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.600 2.270 -12.965 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.298 2.676 -13.519 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.152 1.349 -13.219 1.00 0.45 H new ATOM 0 HG23 THR A 113 1.865 2.235 -11.851 1.00 0.45 H new ATOM 1848 N GLY A 114 0.596 -1.089 -11.649 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.635 -1.732 -12.058 1.00 0.27 C ATOM 1850 C GLY A 114 -0.496 -3.234 -12.214 1.00 0.28 C ATOM 1851 O GLY A 114 -1.109 -3.833 -13.097 1.00 0.38 O ATOM 0 H GLY A 114 0.563 -0.669 -10.720 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.411 -1.519 -11.323 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.965 -1.303 -13.004 1.00 0.27 H new ATOM 1855 N GLU A 115 0.318 -3.840 -11.369 1.00 0.26 N ATOM 1856 CA GLU A 115 0.475 -5.284 -11.369 1.00 0.27 C ATOM 1857 C GLU A 115 0.323 -5.821 -9.961 1.00 0.24 C ATOM 1858 O GLU A 115 0.868 -5.253 -9.017 1.00 0.23 O ATOM 1859 CB GLU A 115 1.849 -5.669 -11.907 1.00 0.30 C ATOM 1860 CG GLU A 115 1.992 -7.156 -12.188 1.00 0.38 C ATOM 1861 CD GLU A 115 3.349 -7.522 -12.746 1.00 1.07 C ATOM 1862 OE1 GLU A 115 4.050 -8.346 -12.122 1.00 1.93 O ATOM 1863 OE2 GLU A 115 3.716 -6.998 -13.818 1.00 1.19 O ATOM 0 H GLU A 115 0.882 -3.354 -10.672 1.00 0.26 H new ATOM 0 HA GLU A 115 -0.295 -5.714 -12.010 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.040 -5.113 -12.825 1.00 0.30 H new ATOM 0 HB3 GLU A 115 2.610 -5.368 -11.187 1.00 0.30 H new ATOM 0 HG2 GLU A 115 1.822 -7.713 -11.267 1.00 0.38 H new ATOM 0 HG3 GLU A 115 1.220 -7.463 -12.893 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.457 -6.892 -9.794 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.526 -7.616 -8.531 1.00 0.26 C ATOM 1872 C PRO A 116 0.808 -8.273 -8.217 1.00 0.23 C ATOM 1873 O PRO A 116 1.244 -9.191 -8.912 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.611 -8.672 -8.770 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.353 -8.204 -9.972 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.347 -7.470 -10.805 1.00 0.34 C ATOM 0 HA PRO A 116 -0.751 -6.968 -7.684 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.173 -9.656 -8.936 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.272 -8.759 -7.908 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -2.779 -9.044 -10.521 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -3.181 -7.553 -9.693 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.814 -8.139 -11.480 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.814 -6.702 -11.421 1.00 0.34 H new ATOM 1884 N PHE A 117 1.455 -7.787 -7.178 1.00 0.20 N ATOM 1885 CA PHE A 117 2.766 -8.278 -6.798 1.00 0.21 C ATOM 1886 C PHE A 117 2.706 -8.884 -5.402 1.00 0.21 C ATOM 1887 O PHE A 117 2.048 -8.349 -4.510 1.00 0.19 O ATOM 1888 CB PHE A 117 3.781 -7.132 -6.865 1.00 0.23 C ATOM 1889 CG PHE A 117 5.218 -7.562 -6.740 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.140 -6.744 -6.109 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.647 -8.779 -7.249 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.461 -7.133 -5.983 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.964 -9.171 -7.128 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.872 -8.348 -6.494 1.00 0.41 C ATOM 0 H PHE A 117 1.092 -7.047 -6.577 1.00 0.20 H new ATOM 0 HA PHE A 117 3.084 -9.058 -7.490 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.654 -6.606 -7.811 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.558 -6.419 -6.071 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.824 -5.791 -5.711 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.941 -9.428 -7.746 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.170 -6.488 -5.486 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.284 -10.121 -7.529 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.903 -8.654 -6.398 1.00 0.41 H new ATOM 1904 N VAL A 118 3.379 -10.014 -5.237 1.00 0.25 N ATOM 1905 CA VAL A 118 3.305 -10.809 -4.017 1.00 0.28 C ATOM 1906 C VAL A 118 3.666 -10.014 -2.763 1.00 0.26 C ATOM 1907 O VAL A 118 4.800 -9.569 -2.588 1.00 0.29 O ATOM 1908 CB VAL A 118 4.189 -12.075 -4.116 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.562 -11.741 -4.675 1.00 0.65 C ATOM 1910 CG2 VAL A 118 4.309 -12.752 -2.758 1.00 0.71 C ATOM 0 H VAL A 118 3.995 -10.408 -5.948 1.00 0.25 H new ATOM 0 HA VAL A 118 2.262 -11.110 -3.920 1.00 0.28 H new ATOM 0 HB VAL A 118 3.708 -12.769 -4.805 1.00 0.35 H new ATOM 0 HG11 VAL A 118 6.162 -12.649 -4.733 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.455 -11.312 -5.671 1.00 0.65 H new ATOM 0 HG13 VAL A 118 6.056 -11.022 -4.022 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.934 -13.640 -2.848 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.760 -12.061 -2.046 1.00 0.71 H new ATOM 0 HG23 VAL A 118 3.318 -13.040 -2.406 1.00 0.71 H new ATOM 1920 N VAL A 119 2.671 -9.843 -1.901 1.00 0.23 N ATOM 1921 CA VAL A 119 2.856 -9.197 -0.612 1.00 0.22 C ATOM 1922 C VAL A 119 2.543 -10.183 0.516 1.00 0.23 C ATOM 1923 O VAL A 119 2.876 -9.958 1.682 1.00 0.23 O ATOM 1924 CB VAL A 119 1.950 -7.952 -0.490 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.487 -8.333 -0.603 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.211 -7.216 0.812 1.00 0.22 C ATOM 0 H VAL A 119 1.714 -10.149 -2.078 1.00 0.23 H new ATOM 0 HA VAL A 119 3.895 -8.877 -0.532 1.00 0.22 H new ATOM 0 HB VAL A 119 2.192 -7.281 -1.315 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.130 -7.439 -0.514 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.307 -8.803 -1.570 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.230 -9.032 0.193 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.561 -6.344 0.873 1.00 0.22 H new ATOM 0 HG22 VAL A 119 2.008 -7.880 1.652 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.252 -6.895 0.846 1.00 0.22 H new ATOM 1936 N GLN A 120 1.911 -11.289 0.155 1.00 0.27 N ATOM 1937 CA GLN A 120 1.561 -12.303 1.132 1.00 0.33 C ATOM 1938 C GLN A 120 2.808 -13.034 1.620 1.00 0.45 C ATOM 1939 O GLN A 120 3.579 -13.571 0.820 1.00 1.35 O ATOM 1940 CB GLN A 120 0.552 -13.302 0.555 1.00 0.32 C ATOM 1941 CG GLN A 120 0.998 -13.957 -0.743 1.00 0.37 C ATOM 1942 CD GLN A 120 0.113 -15.121 -1.143 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -1.075 -15.156 -0.826 1.00 1.23 O ATOM 1944 NE2 GLN A 120 0.687 -16.084 -1.842 1.00 1.21 N ATOM 0 H GLN A 120 1.632 -11.505 -0.802 1.00 0.27 H new ATOM 0 HA GLN A 120 1.096 -11.801 1.980 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.363 -14.079 1.295 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.394 -12.788 0.384 1.00 0.32 H new ATOM 0 HG2 GLN A 120 0.996 -13.214 -1.540 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.025 -14.306 -0.635 1.00 0.37 H new ATOM 0 HE21 GLN A 120 1.675 -16.018 -2.085 1.00 1.21 H new ATOM 0 HE22 GLN A 120 0.142 -16.893 -2.138 1.00 1.21 H new ATOM 1953 N ASP A 121 3.001 -13.024 2.936 1.00 0.72 N ATOM 1954 CA ASP A 121 4.113 -13.729 3.578 1.00 0.76 C ATOM 1955 C ASP A 121 5.457 -13.142 3.136 1.00 0.65 C ATOM 1956 O ASP A 121 6.427 -13.863 2.895 1.00 0.96 O ATOM 1957 CB ASP A 121 4.040 -15.234 3.273 1.00 0.96 C ATOM 1958 CG ASP A 121 4.928 -16.075 4.176 1.00 1.47 C ATOM 1959 OD1 ASP A 121 5.989 -16.541 3.707 1.00 1.55 O ATOM 1960 OD2 ASP A 121 4.585 -16.249 5.365 1.00 2.35 O ATOM 0 H ASP A 121 2.394 -12.529 3.589 1.00 0.72 H new ATOM 0 HA ASP A 121 4.030 -13.596 4.657 1.00 0.76 H new ATOM 0 HB2 ASP A 121 3.008 -15.569 3.376 1.00 0.96 H new ATOM 0 HB3 ASP A 121 4.327 -15.401 2.235 1.00 0.96 H new ATOM 1965 N ILE A 122 5.499 -11.822 2.999 1.00 0.37 N ATOM 1966 CA ILE A 122 6.752 -11.128 2.731 1.00 0.29 C ATOM 1967 C ILE A 122 7.531 -10.960 4.023 1.00 0.24 C ATOM 1968 O ILE A 122 7.028 -11.269 5.101 1.00 0.32 O ATOM 1969 CB ILE A 122 6.539 -9.733 2.090 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.638 -8.866 2.983 1.00 0.26 C ATOM 1971 CG2 ILE A 122 5.941 -9.881 0.700 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.585 -7.405 2.581 1.00 0.31 C ATOM 0 H ILE A 122 4.684 -11.213 3.069 1.00 0.37 H new ATOM 0 HA ILE A 122 7.306 -11.740 2.019 1.00 0.29 H new ATOM 0 HB ILE A 122 7.505 -9.236 1.998 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.627 -9.273 2.964 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.991 -8.935 4.012 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.796 -8.895 0.259 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.617 -10.462 0.073 1.00 0.36 H new ATOM 0 HG23 ILE A 122 4.981 -10.392 0.770 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.928 -6.864 3.262 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.587 -6.978 2.628 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.202 -7.321 1.564 1.00 0.31 H new ATOM 1984 N ASP A 123 8.751 -10.484 3.921 1.00 0.23 N ATOM 1985 CA ASP A 123 9.541 -10.180 5.099 1.00 0.25 C ATOM 1986 C ASP A 123 9.201 -8.781 5.578 1.00 0.25 C ATOM 1987 O ASP A 123 8.860 -8.569 6.743 1.00 0.29 O ATOM 1988 CB ASP A 123 11.038 -10.289 4.790 1.00 0.26 C ATOM 1989 CG ASP A 123 11.492 -11.723 4.586 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.926 -12.415 3.714 1.00 0.30 O ATOM 1991 OD2 ASP A 123 12.425 -12.165 5.290 1.00 0.50 O ATOM 0 H ASP A 123 9.221 -10.298 3.035 1.00 0.23 H new ATOM 0 HA ASP A 123 9.307 -10.900 5.883 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.263 -9.710 3.894 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.607 -9.845 5.607 1.00 0.26 H new ATOM 1996 N ALA A 124 9.260 -7.833 4.658 1.00 0.21 N ATOM 1997 CA ALA A 124 8.980 -6.446 4.980 1.00 0.21 C ATOM 1998 C ALA A 124 8.577 -5.665 3.734 1.00 0.19 C ATOM 1999 O ALA A 124 8.748 -6.138 2.612 1.00 0.19 O ATOM 2000 CB ALA A 124 10.193 -5.817 5.643 1.00 0.22 C ATOM 0 H ALA A 124 9.500 -8.000 3.681 1.00 0.21 H new ATOM 0 HA ALA A 124 8.141 -6.412 5.675 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.978 -4.776 5.883 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.429 -6.359 6.559 1.00 0.22 H new ATOM 0 HB3 ALA A 124 11.044 -5.864 4.964 1.00 0.22 H new ATOM 2006 N MET A 125 8.016 -4.487 3.950 1.00 0.19 N ATOM 2007 CA MET A 125 7.640 -3.583 2.871 1.00 0.16 C ATOM 2008 C MET A 125 7.948 -2.146 3.284 1.00 0.16 C ATOM 2009 O MET A 125 7.892 -1.820 4.467 1.00 0.18 O ATOM 2010 CB MET A 125 6.153 -3.758 2.528 1.00 0.24 C ATOM 2011 CG MET A 125 5.603 -2.734 1.538 1.00 0.31 C ATOM 2012 SD MET A 125 5.162 -1.156 2.288 1.00 1.16 S ATOM 2013 CE MET A 125 4.637 -0.255 0.837 1.00 0.73 C ATOM 0 H MET A 125 7.807 -4.128 4.881 1.00 0.19 H new ATOM 0 HA MET A 125 8.217 -3.818 1.977 1.00 0.16 H new ATOM 0 HB2 MET A 125 6.004 -4.757 2.118 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.572 -3.702 3.449 1.00 0.24 H new ATOM 0 HG2 MET A 125 6.346 -2.560 0.760 1.00 0.31 H new ATOM 0 HG3 MET A 125 4.722 -3.152 1.050 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.914 0.508 1.125 1.00 0.73 H new ATOM 0 HE2 MET A 125 5.501 0.220 0.371 1.00 0.73 H new ATOM 0 HE3 MET A 125 4.176 -0.943 0.129 1.00 0.73 H new ATOM 2023 N SER A 126 8.293 -1.301 2.319 1.00 0.16 N ATOM 2024 CA SER A 126 8.620 0.098 2.605 1.00 0.18 C ATOM 2025 C SER A 126 8.332 0.983 1.396 1.00 0.22 C ATOM 2026 O SER A 126 8.274 0.502 0.259 1.00 0.29 O ATOM 2027 CB SER A 126 10.092 0.245 3.006 1.00 0.24 C ATOM 2028 OG SER A 126 10.389 -0.465 4.200 1.00 1.22 O ATOM 0 H SER A 126 8.354 -1.556 1.333 1.00 0.16 H new ATOM 0 HA SER A 126 7.992 0.418 3.437 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.726 -0.121 2.199 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.327 1.300 3.143 1.00 0.24 H new ATOM 0 HG SER A 126 10.729 -1.356 3.975 1.00 1.22 H new ATOM 2034 N VAL A 127 8.143 2.274 1.652 1.00 0.21 N ATOM 2035 CA VAL A 127 7.882 3.235 0.590 1.00 0.23 C ATOM 2036 C VAL A 127 8.945 4.325 0.588 1.00 0.22 C ATOM 2037 O VAL A 127 9.030 5.110 1.531 1.00 0.19 O ATOM 2038 CB VAL A 127 6.507 3.916 0.757 1.00 0.23 C ATOM 2039 CG1 VAL A 127 6.025 4.480 -0.569 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.483 2.962 1.352 1.00 0.26 C ATOM 0 H VAL A 127 8.166 2.678 2.588 1.00 0.21 H new ATOM 0 HA VAL A 127 7.897 2.678 -0.347 1.00 0.23 H new ATOM 0 HB VAL A 127 6.625 4.743 1.457 1.00 0.23 H new ATOM 0 HG11 VAL A 127 5.054 4.956 -0.431 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.741 5.216 -0.933 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.933 3.673 -1.296 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.526 3.474 1.456 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.364 2.100 0.695 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.824 2.627 2.332 1.00 0.26 H new ATOM 2050 N LEU A 128 9.760 4.371 -0.458 1.00 0.28 N ATOM 2051 CA LEU A 128 10.735 5.447 -0.595 1.00 0.32 C ATOM 2052 C LEU A 128 10.262 6.405 -1.679 1.00 0.33 C ATOM 2053 O LEU A 128 9.752 5.969 -2.716 1.00 0.38 O ATOM 2054 CB LEU A 128 12.136 4.943 -0.982 1.00 0.43 C ATOM 2055 CG LEU A 128 12.763 3.811 -0.149 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.289 3.811 1.300 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.513 2.467 -0.809 1.00 0.42 C ATOM 0 H LEU A 128 9.767 3.687 -1.214 1.00 0.28 H new ATOM 0 HA LEU A 128 10.812 5.934 0.377 1.00 0.32 H new ATOM 0 HB2 LEU A 128 12.094 4.608 -2.018 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.816 5.795 -0.950 1.00 0.43 H new ATOM 0 HG LEU A 128 13.837 3.993 -0.118 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.764 2.991 1.838 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.556 4.757 1.770 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.207 3.685 1.329 1.00 0.34 H new ATOM 0 HD21 LEU A 128 12.963 1.677 -0.208 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.440 2.295 -0.890 1.00 0.42 H new ATOM 0 HD23 LEU A 128 12.957 2.462 -1.805 1.00 0.42 H new ATOM 2069 N PRO A 129 10.406 7.718 -1.473 1.00 0.35 N ATOM 2070 CA PRO A 129 10.024 8.689 -2.484 1.00 0.40 C ATOM 2071 C PRO A 129 11.093 8.862 -3.550 1.00 0.56 C ATOM 2072 O PRO A 129 12.182 9.353 -3.267 1.00 0.91 O ATOM 2073 CB PRO A 129 9.866 9.971 -1.682 1.00 0.47 C ATOM 2074 CG PRO A 129 10.833 9.828 -0.554 1.00 0.52 C ATOM 2075 CD PRO A 129 10.926 8.353 -0.250 1.00 0.41 C ATOM 0 HA PRO A 129 9.127 8.389 -3.026 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.090 10.849 -2.288 1.00 0.47 H new ATOM 0 HB3 PRO A 129 8.845 10.088 -1.317 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.809 10.230 -0.827 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.493 10.383 0.320 1.00 0.52 H new ATOM 0 HD2 PRO A 129 11.953 8.049 -0.045 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.333 8.085 0.625 1.00 0.41 H new ATOM 2083 N LYS A 130 10.710 8.537 -4.782 1.00 0.43 N ATOM 2084 CA LYS A 130 11.585 8.562 -5.965 1.00 0.53 C ATOM 2085 C LYS A 130 12.935 7.857 -5.766 1.00 0.47 C ATOM 2086 O LYS A 130 13.195 6.845 -6.411 1.00 0.81 O ATOM 2087 CB LYS A 130 11.779 9.988 -6.473 1.00 0.74 C ATOM 2088 CG LYS A 130 10.554 10.543 -7.186 1.00 0.83 C ATOM 2089 CD LYS A 130 10.019 9.562 -8.224 1.00 1.76 C ATOM 2090 CE LYS A 130 8.820 8.781 -7.698 1.00 2.10 C ATOM 2091 NZ LYS A 130 8.519 7.581 -8.526 1.00 3.29 N ATOM 0 H LYS A 130 9.758 8.240 -4.997 1.00 0.43 H new ATOM 0 HA LYS A 130 11.064 7.981 -6.726 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.026 10.636 -5.632 1.00 0.74 H new ATOM 0 HB3 LYS A 130 12.630 10.011 -7.154 1.00 0.74 H new ATOM 0 HG2 LYS A 130 9.775 10.762 -6.456 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.810 11.485 -7.672 1.00 0.83 H new ATOM 0 HD2 LYS A 130 9.732 10.105 -9.124 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.809 8.867 -8.509 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.013 8.472 -6.671 1.00 2.10 H new ATOM 0 HE3 LYS A 130 7.946 9.433 -7.676 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 7.495 7.527 -8.700 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 9.021 7.651 -9.434 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.830 6.725 -8.023 1.00 3.29 H new ATOM 2105 N GLY A 131 13.789 8.399 -4.907 1.00 0.43 N ATOM 2106 CA GLY A 131 15.078 7.792 -4.635 1.00 0.39 C ATOM 2107 C GLY A 131 14.945 6.495 -3.860 1.00 0.33 C ATOM 2108 O GLY A 131 15.244 6.430 -2.667 1.00 0.44 O ATOM 0 H GLY A 131 13.609 9.258 -4.388 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.594 7.600 -5.576 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.695 8.490 -4.069 1.00 0.39 H new ATOM 2112 N SER A 132 14.496 5.465 -4.552 1.00 0.31 N ATOM 2113 CA SER A 132 14.275 4.157 -3.970 1.00 0.36 C ATOM 2114 C SER A 132 15.590 3.427 -3.734 1.00 0.39 C ATOM 2115 O SER A 132 15.611 2.336 -3.161 1.00 0.44 O ATOM 2116 CB SER A 132 13.373 3.342 -4.888 1.00 0.49 C ATOM 2117 OG SER A 132 12.217 4.083 -5.243 1.00 1.23 O ATOM 0 H SER A 132 14.272 5.515 -5.546 1.00 0.31 H new ATOM 0 HA SER A 132 13.791 4.284 -3.002 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.921 3.060 -5.787 1.00 0.49 H new ATOM 0 HB3 SER A 132 13.080 2.418 -4.391 1.00 0.49 H new ATOM 0 HG SER A 132 12.071 4.018 -6.210 1.00 1.23 H new ATOM 2123 N SER A 133 16.684 4.037 -4.183 1.00 0.40 N ATOM 2124 CA SER A 133 18.015 3.452 -4.077 1.00 0.48 C ATOM 2125 C SER A 133 18.384 3.115 -2.625 1.00 0.45 C ATOM 2126 O SER A 133 19.344 2.387 -2.380 1.00 0.51 O ATOM 2127 CB SER A 133 19.039 4.405 -4.682 1.00 0.58 C ATOM 2128 OG SER A 133 18.592 4.880 -5.943 1.00 1.30 O ATOM 0 H SER A 133 16.671 4.953 -4.631 1.00 0.40 H new ATOM 0 HA SER A 133 18.016 2.513 -4.631 1.00 0.48 H new ATOM 0 HB2 SER A 133 19.205 5.246 -4.008 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.996 3.895 -4.797 1.00 0.58 H new ATOM 0 HG SER A 133 19.260 5.492 -6.317 1.00 1.30 H new ATOM 2134 N SER A 134 17.614 3.645 -1.676 1.00 0.40 N ATOM 2135 CA SER A 134 17.745 3.276 -0.272 1.00 0.39 C ATOM 2136 C SER A 134 17.685 1.760 -0.106 1.00 0.34 C ATOM 2137 O SER A 134 18.482 1.167 0.621 1.00 0.39 O ATOM 2138 CB SER A 134 16.617 3.921 0.534 1.00 0.39 C ATOM 2139 OG SER A 134 16.537 5.312 0.268 1.00 0.44 O ATOM 0 H SER A 134 16.887 4.337 -1.859 1.00 0.40 H new ATOM 0 HA SER A 134 18.709 3.630 0.092 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.669 3.444 0.286 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.787 3.759 1.599 1.00 0.39 H new ATOM 0 HG SER A 134 15.808 5.704 0.793 1.00 0.44 H new ATOM 2145 N LEU A 135 16.729 1.143 -0.786 1.00 0.28 N ATOM 2146 CA LEU A 135 16.508 -0.288 -0.662 1.00 0.26 C ATOM 2147 C LEU A 135 16.735 -1.009 -1.991 1.00 0.28 C ATOM 2148 O LEU A 135 16.470 -2.199 -2.113 1.00 0.37 O ATOM 2149 CB LEU A 135 15.086 -0.531 -0.152 1.00 0.24 C ATOM 2150 CG LEU A 135 14.779 0.093 1.213 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.308 -0.043 1.563 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.627 -0.559 2.277 1.00 0.29 C ATOM 0 H LEU A 135 16.093 1.614 -1.430 1.00 0.28 H new ATOM 0 HA LEU A 135 17.228 -0.694 0.049 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.380 -0.137 -0.883 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.915 -1.606 -0.091 1.00 0.24 H new ATOM 0 HG LEU A 135 15.015 1.156 1.162 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.122 0.409 2.537 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.706 0.462 0.808 1.00 0.25 H new ATOM 0 HD13 LEU A 135 13.038 -1.098 1.596 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.404 -0.111 3.245 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.409 -1.626 2.312 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.681 -0.411 2.043 1.00 0.29 H new ATOM 2164 N LYS A 136 17.240 -0.291 -2.985 1.00 0.30 N ATOM 2165 CA LYS A 136 17.433 -0.869 -4.307 1.00 0.35 C ATOM 2166 C LYS A 136 18.803 -1.528 -4.418 1.00 0.37 C ATOM 2167 O LYS A 136 19.754 -0.927 -4.918 1.00 0.42 O ATOM 2168 CB LYS A 136 17.297 0.200 -5.390 1.00 0.40 C ATOM 2169 CG LYS A 136 17.239 -0.373 -6.796 1.00 0.46 C ATOM 2170 CD LYS A 136 17.413 0.706 -7.851 1.00 0.57 C ATOM 2171 CE LYS A 136 16.307 1.746 -7.791 1.00 0.98 C ATOM 2172 NZ LYS A 136 16.451 2.764 -8.860 1.00 1.66 N ATOM 0 H LYS A 136 17.522 0.686 -2.902 1.00 0.30 H new ATOM 0 HA LYS A 136 16.662 -1.626 -4.451 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.394 0.782 -5.205 1.00 0.40 H new ATOM 0 HB3 LYS A 136 18.140 0.888 -5.320 1.00 0.40 H new ATOM 0 HG2 LYS A 136 18.018 -1.126 -6.914 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.284 -0.876 -6.945 1.00 0.46 H new ATOM 0 HD2 LYS A 136 18.378 1.195 -7.714 1.00 0.57 H new ATOM 0 HD3 LYS A 136 17.426 0.247 -8.840 1.00 0.57 H new ATOM 0 HE2 LYS A 136 15.339 1.254 -7.886 1.00 0.98 H new ATOM 0 HE3 LYS A 136 16.321 2.236 -6.818 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 15.678 3.456 -8.787 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.364 3.251 -8.755 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 16.412 2.299 -9.790 1.00 1.66 H new ATOM 2186 N VAL A 137 18.906 -2.748 -3.930 1.00 0.37 N ATOM 2187 CA VAL A 137 20.141 -3.508 -4.041 1.00 0.42 C ATOM 2188 C VAL A 137 19.816 -4.964 -4.364 1.00 0.46 C ATOM 2189 O VAL A 137 18.674 -5.386 -4.206 1.00 0.51 O ATOM 2190 CB VAL A 137 20.978 -3.375 -2.741 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.133 -3.707 -1.533 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.232 -4.237 -2.762 1.00 0.51 C ATOM 0 H VAL A 137 18.150 -3.237 -3.452 1.00 0.37 H new ATOM 0 HA VAL A 137 20.746 -3.108 -4.854 1.00 0.42 H new ATOM 0 HB VAL A 137 21.305 -2.337 -2.679 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.735 -3.609 -0.630 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.287 -3.022 -1.481 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.767 -4.730 -1.615 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.780 -4.105 -1.829 1.00 0.51 H new ATOM 0 HG22 VAL A 137 21.952 -5.284 -2.874 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.864 -3.939 -3.599 1.00 0.51 H new ATOM 2202 N LYS A 138 20.796 -5.698 -4.871 1.00 0.50 N ATOM 2203 CA LYS A 138 20.635 -7.113 -5.213 1.00 0.57 C ATOM 2204 C LYS A 138 19.905 -7.866 -4.109 1.00 0.47 C ATOM 2205 O LYS A 138 18.890 -8.523 -4.346 1.00 0.53 O ATOM 2206 CB LYS A 138 22.012 -7.739 -5.404 1.00 0.69 C ATOM 2207 CG LYS A 138 22.909 -6.940 -6.326 1.00 1.22 C ATOM 2208 CD LYS A 138 24.374 -7.242 -6.073 1.00 1.34 C ATOM 2209 CE LYS A 138 24.834 -6.653 -4.749 1.00 1.59 C ATOM 2210 NZ LYS A 138 26.266 -6.947 -4.478 1.00 2.06 N ATOM 0 H LYS A 138 21.730 -5.333 -5.059 1.00 0.50 H new ATOM 0 HA LYS A 138 20.048 -7.180 -6.129 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.497 -7.838 -4.433 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.894 -8.745 -5.805 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.663 -7.168 -7.363 1.00 1.22 H new ATOM 0 HG3 LYS A 138 22.725 -5.875 -6.182 1.00 1.22 H new ATOM 0 HD2 LYS A 138 24.531 -8.321 -6.069 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.978 -6.836 -6.885 1.00 1.34 H new ATOM 0 HE2 LYS A 138 24.681 -5.574 -4.759 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.222 -7.054 -3.941 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 26.540 -6.528 -3.566 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 26.408 -7.977 -4.443 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 26.853 -6.542 -5.235 1.00 2.06 H new ATOM 2224 N THR A 139 20.429 -7.733 -2.903 1.00 0.37 N ATOM 2225 CA THR A 139 19.897 -8.427 -1.742 1.00 0.29 C ATOM 2226 C THR A 139 19.899 -7.512 -0.526 1.00 0.25 C ATOM 2227 O THR A 139 20.751 -6.631 -0.411 1.00 0.28 O ATOM 2228 CB THR A 139 20.709 -9.696 -1.439 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.003 -9.604 -2.053 1.00 0.39 O ATOM 2230 CG2 THR A 139 19.980 -10.932 -1.940 1.00 0.39 C ATOM 0 H THR A 139 21.235 -7.141 -2.700 1.00 0.37 H new ATOM 0 HA THR A 139 18.871 -8.717 -1.968 1.00 0.29 H new ATOM 0 HB THR A 139 20.829 -9.783 -0.359 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.517 -10.415 -1.855 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.572 -11.819 -1.716 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.011 -11.008 -1.447 1.00 0.39 H new ATOM 0 HG23 THR A 139 19.834 -10.856 -3.017 1.00 0.39 H new ATOM 2238 N MET A 140 18.953 -7.725 0.377 1.00 0.26 N ATOM 2239 CA MET A 140 18.750 -6.810 1.488 1.00 0.32 C ATOM 2240 C MET A 140 18.297 -7.511 2.767 1.00 0.34 C ATOM 2241 O MET A 140 17.713 -8.596 2.730 1.00 0.38 O ATOM 2242 CB MET A 140 17.715 -5.769 1.107 1.00 0.38 C ATOM 2243 CG MET A 140 18.314 -4.413 0.848 1.00 0.60 C ATOM 2244 SD MET A 140 17.244 -3.086 1.371 1.00 0.78 S ATOM 2245 CE MET A 140 17.168 -3.461 3.111 1.00 0.40 C ATOM 0 H MET A 140 18.316 -8.521 0.362 1.00 0.26 H new ATOM 0 HA MET A 140 19.716 -6.347 1.693 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.184 -6.102 0.215 1.00 0.38 H new ATOM 0 HB3 MET A 140 16.978 -5.688 1.906 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.268 -4.334 1.370 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.524 -4.309 -0.217 1.00 0.60 H new ATOM 0 HE1 MET A 140 17.046 -2.538 3.677 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.322 -4.120 3.305 1.00 0.40 H new ATOM 0 HE3 MET A 140 18.090 -3.955 3.417 1.00 0.40 H new ATOM 2255 N ALA A 141 18.571 -6.861 3.897 1.00 0.34 N ATOM 2256 CA ALA A 141 18.134 -7.330 5.207 1.00 0.38 C ATOM 2257 C ALA A 141 16.750 -6.789 5.541 1.00 0.34 C ATOM 2258 O ALA A 141 16.444 -5.631 5.262 1.00 0.36 O ATOM 2259 CB ALA A 141 19.123 -6.882 6.271 1.00 0.44 C ATOM 0 H ALA A 141 19.104 -5.992 3.928 1.00 0.34 H new ATOM 0 HA ALA A 141 18.087 -8.419 5.183 1.00 0.38 H new ATOM 0 HB1 ALA A 141 18.792 -7.235 7.248 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.107 -7.296 6.050 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.181 -5.794 6.279 1.00 0.44 H new ATOM 2265 N LYS A 142 15.927 -7.632 6.156 1.00 0.32 N ATOM 2266 CA LYS A 142 14.592 -7.239 6.597 1.00 0.30 C ATOM 2267 C LYS A 142 14.679 -6.165 7.675 1.00 0.26 C ATOM 2268 O LYS A 142 13.826 -5.283 7.762 1.00 0.24 O ATOM 2269 CB LYS A 142 13.833 -8.464 7.127 1.00 0.33 C ATOM 2270 CG LYS A 142 12.534 -8.136 7.849 1.00 0.32 C ATOM 2271 CD LYS A 142 11.843 -9.396 8.351 1.00 0.38 C ATOM 2272 CE LYS A 142 10.645 -9.074 9.226 1.00 0.49 C ATOM 2273 NZ LYS A 142 11.039 -8.579 10.571 1.00 1.11 N ATOM 0 H LYS A 142 16.164 -8.602 6.362 1.00 0.32 H new ATOM 0 HA LYS A 142 14.050 -6.828 5.745 1.00 0.30 H new ATOM 0 HB2 LYS A 142 13.612 -9.129 6.292 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.484 -9.013 7.808 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.741 -7.473 8.689 1.00 0.32 H new ATOM 0 HG3 LYS A 142 11.867 -7.598 7.175 1.00 0.32 H new ATOM 0 HD2 LYS A 142 11.520 -9.997 7.500 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.554 -9.999 8.916 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.030 -8.322 8.732 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.030 -9.967 9.337 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 10.203 -8.551 11.189 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 11.751 -9.217 10.981 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.439 -7.623 10.486 1.00 1.11 H new ATOM 2287 N ASP A 143 15.739 -6.232 8.468 1.00 0.29 N ATOM 2288 CA ASP A 143 15.940 -5.296 9.568 1.00 0.31 C ATOM 2289 C ASP A 143 16.302 -3.924 9.026 1.00 0.28 C ATOM 2290 O ASP A 143 15.823 -2.894 9.504 1.00 0.29 O ATOM 2291 CB ASP A 143 17.051 -5.800 10.490 1.00 0.37 C ATOM 2292 CG ASP A 143 17.409 -4.794 11.566 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.746 -4.785 12.624 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.354 -4.002 11.355 1.00 0.52 O ATOM 0 H ASP A 143 16.478 -6.929 8.370 1.00 0.29 H new ATOM 0 HA ASP A 143 15.014 -5.220 10.137 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.736 -6.732 10.958 1.00 0.37 H new ATOM 0 HB3 ASP A 143 17.938 -6.025 9.897 1.00 0.37 H new ATOM 2299 N MET A 144 17.143 -3.927 8.011 1.00 0.29 N ATOM 2300 CA MET A 144 17.552 -2.708 7.347 1.00 0.30 C ATOM 2301 C MET A 144 16.401 -2.132 6.536 1.00 0.24 C ATOM 2302 O MET A 144 16.214 -0.920 6.485 1.00 0.25 O ATOM 2303 CB MET A 144 18.733 -2.995 6.429 1.00 0.35 C ATOM 2304 CG MET A 144 19.060 -1.850 5.480 1.00 0.36 C ATOM 2305 SD MET A 144 20.287 -2.303 4.241 1.00 0.48 S ATOM 2306 CE MET A 144 20.173 -0.902 3.128 1.00 0.43 C ATOM 0 H MET A 144 17.561 -4.774 7.625 1.00 0.29 H new ATOM 0 HA MET A 144 17.847 -1.980 8.103 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.611 -3.213 7.037 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.519 -3.890 5.845 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.147 -1.526 4.980 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.427 -1.000 6.055 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.979 -0.952 2.396 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.213 -0.924 2.612 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.257 0.023 3.698 1.00 0.43 H new ATOM 2316 N PHE A 145 15.632 -3.021 5.918 1.00 0.21 N ATOM 2317 CA PHE A 145 14.558 -2.631 5.011 1.00 0.17 C ATOM 2318 C PHE A 145 13.584 -1.678 5.688 1.00 0.15 C ATOM 2319 O PHE A 145 13.257 -0.617 5.151 1.00 0.16 O ATOM 2320 CB PHE A 145 13.817 -3.871 4.525 1.00 0.19 C ATOM 2321 CG PHE A 145 13.012 -3.626 3.289 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.645 -3.435 3.369 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.616 -3.588 2.050 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.897 -3.208 2.236 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.872 -3.364 0.914 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.534 -3.172 0.992 1.00 0.29 C ATOM 0 H PHE A 145 15.735 -4.030 6.031 1.00 0.21 H new ATOM 0 HA PHE A 145 15.002 -2.114 4.160 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.538 -4.665 4.330 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.157 -4.226 5.317 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.158 -3.464 4.333 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.683 -3.735 1.970 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.830 -3.059 2.307 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.360 -3.341 -0.049 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.960 -2.991 0.095 1.00 0.29 H new ATOM 2336 N VAL A 146 13.132 -2.061 6.870 1.00 0.15 N ATOM 2337 CA VAL A 146 12.210 -1.236 7.626 1.00 0.14 C ATOM 2338 C VAL A 146 12.866 0.058 8.098 1.00 0.15 C ATOM 2339 O VAL A 146 12.287 1.130 7.969 1.00 0.16 O ATOM 2340 CB VAL A 146 11.604 -1.993 8.828 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.635 -2.860 9.524 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.993 -1.019 9.812 1.00 0.17 C ATOM 0 H VAL A 146 13.389 -2.937 7.325 1.00 0.15 H new ATOM 0 HA VAL A 146 11.399 -0.982 6.944 1.00 0.14 H new ATOM 0 HB VAL A 146 10.824 -2.649 8.442 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.169 -3.376 10.364 1.00 0.19 H new ATOM 0 HG12 VAL A 146 13.028 -3.594 8.820 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.450 -2.235 9.889 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.570 -1.569 10.653 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.762 -0.337 10.174 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.206 -0.449 9.319 1.00 0.17 H new ATOM 2352 N SER A 147 14.071 -0.032 8.627 1.00 0.18 N ATOM 2353 CA SER A 147 14.753 1.145 9.141 1.00 0.21 C ATOM 2354 C SER A 147 15.012 2.157 8.016 1.00 0.21 C ATOM 2355 O SER A 147 14.810 3.361 8.188 1.00 0.24 O ATOM 2356 CB SER A 147 16.053 0.727 9.826 1.00 0.25 C ATOM 2357 OG SER A 147 16.689 1.830 10.444 1.00 0.85 O ATOM 0 H SER A 147 14.597 -0.902 8.713 1.00 0.18 H new ATOM 0 HA SER A 147 14.117 1.635 9.878 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.843 -0.039 10.573 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.725 0.281 9.093 1.00 0.25 H new ATOM 0 HG SER A 147 17.517 1.531 10.875 1.00 0.85 H new ATOM 2363 N ARG A 148 15.425 1.651 6.860 1.00 0.20 N ATOM 2364 CA ARG A 148 15.665 2.478 5.683 1.00 0.21 C ATOM 2365 C ARG A 148 14.379 3.145 5.202 1.00 0.19 C ATOM 2366 O ARG A 148 14.383 4.308 4.809 1.00 0.27 O ATOM 2367 CB ARG A 148 16.218 1.612 4.559 1.00 0.23 C ATOM 2368 CG ARG A 148 17.696 1.284 4.637 1.00 0.29 C ATOM 2369 CD ARG A 148 18.578 2.488 4.341 1.00 0.43 C ATOM 2370 NE ARG A 148 18.600 3.455 5.438 1.00 1.22 N ATOM 2371 CZ ARG A 148 19.120 4.677 5.343 1.00 1.53 C ATOM 2372 NH1 ARG A 148 19.658 5.091 4.202 1.00 1.19 N ATOM 2373 NH2 ARG A 148 19.115 5.484 6.395 1.00 2.48 N ATOM 0 H ARG A 148 15.603 0.658 6.712 1.00 0.20 H new ATOM 0 HA ARG A 148 16.380 3.254 5.956 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.659 0.676 4.540 1.00 0.23 H new ATOM 0 HB3 ARG A 148 16.028 2.116 3.612 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.928 0.904 5.632 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.926 0.487 3.930 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.594 2.148 4.141 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.222 2.980 3.436 1.00 0.43 H new ATOM 0 HE ARG A 148 18.192 3.176 6.330 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.675 4.472 3.392 1.00 1.19 H new ATOM 0 HH12 ARG A 148 20.055 6.028 4.136 1.00 1.19 H new ATOM 0 HH21 ARG A 148 18.713 5.169 7.278 1.00 2.48 H new ATOM 0 HH22 ARG A 148 19.514 6.420 6.322 1.00 2.48 H new ATOM 2387 N GLY A 149 13.286 2.399 5.213 1.00 0.14 N ATOM 2388 CA GLY A 149 12.022 2.946 4.777 1.00 0.13 C ATOM 2389 C GLY A 149 11.443 3.906 5.791 1.00 0.15 C ATOM 2390 O GLY A 149 10.916 4.956 5.434 1.00 0.17 O ATOM 0 H GLY A 149 13.253 1.426 5.516 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.158 3.461 3.826 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.316 2.134 4.602 1.00 0.13 H new ATOM 2394 N ASN A 150 11.553 3.540 7.062 1.00 0.17 N ATOM 2395 CA ASN A 150 11.065 4.363 8.162 1.00 0.22 C ATOM 2396 C ASN A 150 11.678 5.762 8.133 1.00 0.23 C ATOM 2397 O ASN A 150 10.993 6.749 8.397 1.00 0.26 O ATOM 2398 CB ASN A 150 11.369 3.685 9.504 1.00 0.32 C ATOM 2399 CG ASN A 150 11.103 4.581 10.698 1.00 0.46 C ATOM 2400 OD1 ASN A 150 12.002 5.267 11.179 1.00 1.42 O ATOM 2401 ND2 ASN A 150 9.873 4.587 11.183 1.00 0.93 N ATOM 0 H ASN A 150 11.983 2.664 7.359 1.00 0.17 H new ATOM 0 HA ASN A 150 9.986 4.468 8.045 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.765 2.782 9.593 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.413 3.372 9.518 1.00 0.32 H new ATOM 0 HD21 ASN A 150 9.644 5.175 11.984 1.00 0.93 H new ATOM 0 HD22 ASN A 150 9.154 4.003 10.756 1.00 0.93 H new ATOM 2408 N THR A 151 12.966 5.849 7.806 1.00 0.23 N ATOM 2409 CA THR A 151 13.639 7.139 7.754 1.00 0.27 C ATOM 2410 C THR A 151 13.179 7.940 6.532 1.00 0.27 C ATOM 2411 O THR A 151 13.218 9.170 6.536 1.00 0.33 O ATOM 2412 CB THR A 151 15.183 6.997 7.762 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.795 8.279 7.953 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.705 6.385 6.471 1.00 0.27 C ATOM 0 H THR A 151 13.556 5.050 7.576 1.00 0.23 H new ATOM 0 HA THR A 151 13.361 7.682 8.657 1.00 0.27 H new ATOM 0 HB THR A 151 15.441 6.330 8.585 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.770 8.179 7.958 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.791 6.304 6.520 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.273 5.393 6.338 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.426 7.019 5.629 1.00 0.27 H new ATOM 2422 N GLU A 152 12.719 7.240 5.497 1.00 0.25 N ATOM 2423 CA GLU A 152 12.149 7.893 4.323 1.00 0.30 C ATOM 2424 C GLU A 152 10.664 8.161 4.548 1.00 0.28 C ATOM 2425 O GLU A 152 9.987 8.778 3.725 1.00 0.30 O ATOM 2426 CB GLU A 152 12.369 7.046 3.078 1.00 0.34 C ATOM 2427 CG GLU A 152 13.835 6.918 2.704 1.00 0.52 C ATOM 2428 CD GLU A 152 14.456 8.237 2.290 1.00 0.63 C ATOM 2429 OE1 GLU A 152 14.940 8.982 3.174 1.00 1.31 O ATOM 2430 OE2 GLU A 152 14.482 8.532 1.078 1.00 0.98 O ATOM 0 H GLU A 152 12.730 6.221 5.449 1.00 0.25 H new ATOM 0 HA GLU A 152 12.654 8.847 4.169 1.00 0.30 H new ATOM 0 HB2 GLU A 152 11.953 6.052 3.242 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.823 7.486 2.244 1.00 0.34 H new ATOM 0 HG2 GLU A 152 14.387 6.513 3.552 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.935 6.203 1.887 1.00 0.52 H new ATOM 2437 N GLY A 153 10.180 7.692 5.689 1.00 0.25 N ATOM 2438 CA GLY A 153 8.851 8.016 6.151 1.00 0.25 C ATOM 2439 C GLY A 153 7.853 6.872 6.084 1.00 0.21 C ATOM 2440 O GLY A 153 6.783 6.972 6.686 1.00 0.24 O ATOM 0 H GLY A 153 10.701 7.078 6.315 1.00 0.25 H new ATOM 0 HA2 GLY A 153 8.915 8.363 7.182 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.469 8.847 5.559 1.00 0.25 H new ATOM 2444 N ALA A 154 8.159 5.781 5.386 1.00 0.17 N ATOM 2445 CA ALA A 154 7.265 4.625 5.436 1.00 0.16 C ATOM 2446 C ALA A 154 7.998 3.293 5.408 1.00 0.14 C ATOM 2447 O ALA A 154 8.766 3.012 4.488 1.00 0.15 O ATOM 2448 CB ALA A 154 6.251 4.675 4.316 1.00 0.19 C ATOM 0 H ALA A 154 8.986 5.672 4.800 1.00 0.17 H new ATOM 0 HA ALA A 154 6.753 4.688 6.396 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.599 3.804 4.377 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.654 5.582 4.406 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.768 4.675 3.357 1.00 0.19 H new ATOM 2454 N SER A 155 7.723 2.468 6.403 1.00 0.15 N ATOM 2455 CA SER A 155 8.110 1.075 6.379 1.00 0.16 C ATOM 2456 C SER A 155 7.138 0.226 7.181 1.00 0.15 C ATOM 2457 O SER A 155 6.418 0.733 8.044 1.00 0.19 O ATOM 2458 CB SER A 155 9.500 0.908 6.942 1.00 0.23 C ATOM 2459 OG SER A 155 9.617 1.542 8.204 1.00 1.42 O ATOM 0 H SER A 155 7.225 2.748 7.248 1.00 0.15 H new ATOM 0 HA SER A 155 8.094 0.742 5.341 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.731 -0.153 7.041 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.229 1.330 6.250 1.00 0.23 H new ATOM 0 HG SER A 155 10.549 1.502 8.505 1.00 1.42 H new ATOM 2465 N ILE A 156 7.122 -1.063 6.887 1.00 0.14 N ATOM 2466 CA ILE A 156 6.260 -1.999 7.573 1.00 0.15 C ATOM 2467 C ILE A 156 6.840 -3.415 7.464 1.00 0.15 C ATOM 2468 O ILE A 156 6.997 -3.960 6.375 1.00 0.17 O ATOM 2469 CB ILE A 156 4.821 -1.920 7.006 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.885 -2.837 7.776 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.791 -2.252 5.521 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.433 -2.612 7.432 1.00 0.28 C ATOM 0 H ILE A 156 7.707 -1.486 6.166 1.00 0.14 H new ATOM 0 HA ILE A 156 6.208 -1.739 8.630 1.00 0.15 H new ATOM 0 HB ILE A 156 4.476 -0.893 7.127 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.147 -3.874 7.567 1.00 0.21 H new ATOM 0 HG13 ILE A 156 4.029 -2.681 8.845 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.767 -2.187 5.154 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.416 -1.544 4.977 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.169 -3.263 5.366 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.812 -3.294 8.012 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.159 -1.583 7.666 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.278 -2.795 6.369 1.00 0.28 H new ATOM 2484 N SER A 157 7.192 -3.999 8.592 1.00 0.16 N ATOM 2485 CA SER A 157 7.863 -5.290 8.597 1.00 0.19 C ATOM 2486 C SER A 157 7.106 -6.322 9.416 1.00 0.20 C ATOM 2487 O SER A 157 6.431 -5.984 10.389 1.00 0.34 O ATOM 2488 CB SER A 157 9.296 -5.141 9.104 1.00 0.34 C ATOM 2489 OG SER A 157 10.041 -4.314 8.236 1.00 1.44 O ATOM 0 H SER A 157 7.026 -3.603 9.517 1.00 0.16 H new ATOM 0 HA SER A 157 7.888 -5.652 7.569 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.291 -4.715 10.107 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.767 -6.121 9.176 1.00 0.34 H new ATOM 0 HG SER A 157 10.945 -4.678 8.133 1.00 1.44 H new ATOM 2495 N PHE A 158 7.188 -7.572 8.979 1.00 0.20 N ATOM 2496 CA PHE A 158 6.606 -8.689 9.716 1.00 0.32 C ATOM 2497 C PHE A 158 7.153 -8.735 11.140 1.00 0.74 C ATOM 2498 O PHE A 158 8.383 -8.873 11.303 1.00 1.33 O ATOM 2499 CB PHE A 158 6.891 -10.013 9.000 1.00 0.97 C ATOM 2500 CG PHE A 158 5.779 -10.467 8.092 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.341 -9.674 7.043 1.00 0.97 C ATOM 2502 CD2 PHE A 158 5.173 -11.698 8.291 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.319 -10.100 6.211 1.00 1.38 C ATOM 2504 CE2 PHE A 158 4.152 -12.128 7.462 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.726 -11.328 6.422 1.00 1.81 C ATOM 2506 OXT PHE A 158 6.352 -8.634 12.091 1.00 1.62 O ATOM 0 H PHE A 158 7.655 -7.840 8.113 1.00 0.20 H new ATOM 0 HA PHE A 158 5.527 -8.541 9.761 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.805 -9.909 8.415 1.00 0.97 H new ATOM 0 HB3 PHE A 158 7.076 -10.786 9.746 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.802 -8.712 6.872 1.00 0.97 H new ATOM 0 HD2 PHE A 158 5.502 -12.329 9.103 1.00 1.42 H new ATOM 0 HE1 PHE A 158 3.987 -9.472 5.398 1.00 1.38 H new ATOM 0 HE2 PHE A 158 3.689 -13.089 7.629 1.00 1.81 H new ATOM 0 HZ PHE A 158 2.929 -11.662 5.774 1.00 1.81 H new