USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 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 86 SER OG : rot 96:sc= -2.1! USER MOD Set 1.2: A 90 LYS NZ :NH3+ 132:sc= 0.22 (180deg=-0.0323) USER MOD Set 2.1: A 61 GLN : amide:sc= 1.04 K(o=-0.091,f=-14!) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 141:sc= -1.13! (180deg=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0553 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.57! C(o=-1.6!,f=-6.9!) USER MOD Single : A 7 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.12) USER MOD Single : A 13 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-1.5!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -113:sc= 0.805 (180deg=-0.788) USER MOD Single : A 21 SER OG : rot 90:sc= -0.886 USER MOD Single : A 22 THR OG1 : rot -82:sc= -0.356 USER MOD Single : A 23 TYR OH : rot 63:sc= 0.229 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -136:sc= -0.215 (180deg=-2.32) USER MOD Single : A 32 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.18) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.71) USER MOD Single : A 50 SER OG : rot 180:sc= 0.22 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0243 (180deg=-0.259) USER MOD Single : A 59 ASN :FLIP amide:sc= -1.18 F(o=-3.4!,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 1.08 (180deg=0.461) USER MOD Single : A 74 GLN : amide:sc= -1.99! X(o=-2!,f=-2.1) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0.782 (180deg=0.772) USER MOD Single : A 76 GLN : amide:sc= -1.54! C(o=-1.5!,f=-6.5!) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= 1.12 (180deg=-0.392) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot -53:sc= 0.0928 USER MOD Single : A 97 LYS NZ :NH3+ -148:sc= 1.32 (180deg=1.07) USER MOD Single : A 99 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.161 -9.449 18.773 1.00 34.40 N ATOM 2 CA MET A 1 -10.051 -8.464 17.665 1.00 3.12 C ATOM 3 C MET A 1 -10.499 -9.092 16.336 1.00 2.33 C ATOM 4 O MET A 1 -10.506 -10.314 16.189 1.00 41.31 O ATOM 5 CB MET A 1 -8.601 -7.958 17.560 1.00 62.22 C ATOM 6 CG MET A 1 -8.392 -6.863 16.519 1.00 23.12 C ATOM 7 SD MET A 1 -6.678 -6.308 16.426 1.00 4.34 S ATOM 8 CE MET A 1 -6.790 -5.059 15.145 1.00 50.23 C ATOM 0 H1 MET A 1 -10.948 -9.182 19.398 1.00 34.40 H new ATOM 0 H2 MET A 1 -10.338 -10.395 18.380 1.00 34.40 H new ATOM 0 H3 MET A 1 -9.275 -9.460 19.317 1.00 34.40 H new ATOM 0 HA MET A 1 -10.706 -7.620 17.878 1.00 3.12 H new ATOM 0 HB2 MET A 1 -8.289 -7.581 18.534 1.00 62.22 H new ATOM 0 HB3 MET A 1 -7.951 -8.800 17.320 1.00 62.22 H new ATOM 0 HG2 MET A 1 -8.703 -7.232 15.542 1.00 23.12 H new ATOM 0 HG3 MET A 1 -9.032 -6.014 16.758 1.00 23.12 H new ATOM 0 HE1 MET A 1 -5.805 -4.623 14.975 1.00 50.23 H new ATOM 0 HE2 MET A 1 -7.150 -5.515 14.223 1.00 50.23 H new ATOM 0 HE3 MET A 1 -7.483 -4.278 15.458 1.00 50.23 H new ATOM 20 N ASP A 2 -10.896 -8.257 15.375 1.00 14.32 N ATOM 21 CA ASP A 2 -11.276 -8.737 14.043 1.00 44.12 C ATOM 22 C ASP A 2 -10.102 -9.453 13.354 1.00 40.23 C ATOM 23 O ASP A 2 -9.120 -8.819 12.960 1.00 41.53 O ATOM 24 CB ASP A 2 -11.761 -7.566 13.185 1.00 31.04 C ATOM 25 CG ASP A 2 -12.945 -6.856 13.811 1.00 15.22 C ATOM 26 OD1 ASP A 2 -12.729 -5.980 14.671 1.00 13.12 O ATOM 27 OD2 ASP A 2 -14.096 -7.184 13.458 1.00 21.11 O ATOM 0 H ASP A 2 -10.963 -7.246 15.492 1.00 14.32 H new ATOM 0 HA ASP A 2 -12.086 -9.457 14.158 1.00 44.12 H new ATOM 0 HB2 ASP A 2 -10.945 -6.857 13.045 1.00 31.04 H new ATOM 0 HB3 ASP A 2 -12.039 -7.931 12.196 1.00 31.04 H new ATOM 32 N GLN A 3 -10.218 -10.776 13.216 1.00 74.11 N ATOM 33 CA GLN A 3 -9.155 -11.601 12.631 1.00 63.45 C ATOM 34 C GLN A 3 -8.758 -11.107 11.232 1.00 61.41 C ATOM 35 O GLN A 3 -7.583 -11.137 10.865 1.00 14.22 O ATOM 36 CB GLN A 3 -9.593 -13.074 12.573 1.00 21.50 C ATOM 37 CG GLN A 3 -8.516 -14.036 12.067 1.00 53.34 C ATOM 38 CD GLN A 3 -7.283 -14.102 12.963 1.00 20.12 C ATOM 39 OE1 GLN A 3 -6.907 -13.137 13.612 1.00 14.22 O ATOM 40 NE2 GLN A 3 -6.643 -15.251 13.008 1.00 72.04 N ATOM 0 H GLN A 3 -11.043 -11.303 13.503 1.00 74.11 H new ATOM 0 HA GLN A 3 -8.278 -11.515 13.273 1.00 63.45 H new ATOM 0 HB2 GLN A 3 -9.903 -13.387 13.570 1.00 21.50 H new ATOM 0 HB3 GLN A 3 -10.467 -13.155 11.927 1.00 21.50 H new ATOM 0 HG2 GLN A 3 -8.945 -15.034 11.980 1.00 53.34 H new ATOM 0 HG3 GLN A 3 -8.211 -13.732 11.066 1.00 53.34 H new ATOM 0 HE21 GLN A 3 -6.976 -16.042 12.457 1.00 72.04 H new ATOM 0 HE22 GLN A 3 -5.814 -15.350 13.594 1.00 72.04 H new ATOM 49 N PHE A 4 -9.742 -10.642 10.459 1.00 63.23 N ATOM 50 CA PHE A 4 -9.477 -10.054 9.140 1.00 44.11 C ATOM 51 C PHE A 4 -8.421 -8.940 9.239 1.00 55.21 C ATOM 52 O PHE A 4 -7.432 -8.935 8.504 1.00 5.41 O ATOM 53 CB PHE A 4 -10.774 -9.494 8.531 1.00 33.44 C ATOM 54 CG PHE A 4 -10.578 -8.859 7.174 1.00 71.30 C ATOM 55 CD1 PHE A 4 -10.532 -9.642 6.028 1.00 30.02 C ATOM 56 CD2 PHE A 4 -10.427 -7.486 7.043 1.00 2.12 C ATOM 57 CE1 PHE A 4 -10.340 -9.070 4.785 1.00 13.41 C ATOM 58 CE2 PHE A 4 -10.235 -6.909 5.802 1.00 0.11 C ATOM 59 CZ PHE A 4 -10.189 -7.703 4.672 1.00 61.30 C ATOM 0 H PHE A 4 -10.728 -10.660 10.721 1.00 63.23 H new ATOM 0 HA PHE A 4 -9.091 -10.841 8.492 1.00 44.11 H new ATOM 0 HB2 PHE A 4 -11.503 -10.300 8.444 1.00 33.44 H new ATOM 0 HB3 PHE A 4 -11.196 -8.755 9.212 1.00 33.44 H new ATOM 0 HD1 PHE A 4 -10.648 -10.713 6.109 1.00 30.02 H new ATOM 0 HD2 PHE A 4 -10.460 -6.860 7.922 1.00 2.12 H new ATOM 0 HE1 PHE A 4 -10.308 -9.692 3.903 1.00 13.41 H new ATOM 0 HE2 PHE A 4 -10.121 -5.839 5.715 1.00 0.11 H new ATOM 0 HZ PHE A 4 -10.035 -7.254 3.702 1.00 61.30 H new ATOM 69 N LEU A 5 -8.636 -8.009 10.167 1.00 24.33 N ATOM 70 CA LEU A 5 -7.702 -6.902 10.388 1.00 51.35 C ATOM 71 C LEU A 5 -6.343 -7.419 10.882 1.00 65.22 C ATOM 72 O LEU A 5 -5.294 -7.020 10.380 1.00 12.14 O ATOM 73 CB LEU A 5 -8.284 -5.907 11.402 1.00 72.55 C ATOM 74 CG LEU A 5 -9.630 -5.271 11.008 1.00 21.24 C ATOM 75 CD1 LEU A 5 -10.099 -4.289 12.080 1.00 61.22 C ATOM 76 CD2 LEU A 5 -9.521 -4.581 9.648 1.00 61.44 C ATOM 0 H LEU A 5 -9.451 -7.998 10.780 1.00 24.33 H new ATOM 0 HA LEU A 5 -7.551 -6.393 9.436 1.00 51.35 H new ATOM 0 HB2 LEU A 5 -8.409 -6.419 12.356 1.00 72.55 H new ATOM 0 HB3 LEU A 5 -7.558 -5.110 11.561 1.00 72.55 H new ATOM 0 HG LEU A 5 -10.373 -6.064 10.929 1.00 21.24 H new ATOM 0 HD11 LEU A 5 -11.052 -3.852 11.781 1.00 61.22 H new ATOM 0 HD12 LEU A 5 -10.223 -4.815 13.027 1.00 61.22 H new ATOM 0 HD13 LEU A 5 -9.358 -3.498 12.198 1.00 61.22 H new ATOM 0 HD21 LEU A 5 -10.482 -4.138 9.387 1.00 61.44 H new ATOM 0 HD22 LEU A 5 -8.762 -3.800 9.696 1.00 61.44 H new ATOM 0 HD23 LEU A 5 -9.241 -5.313 8.890 1.00 61.44 H new ATOM 88 N VAL A 6 -6.379 -8.321 11.863 1.00 54.23 N ATOM 89 CA VAL A 6 -5.162 -8.917 12.425 1.00 31.11 C ATOM 90 C VAL A 6 -4.268 -9.527 11.329 1.00 43.01 C ATOM 91 O VAL A 6 -3.058 -9.289 11.290 1.00 43.01 O ATOM 92 CB VAL A 6 -5.514 -10.015 13.465 1.00 71.01 C ATOM 93 CG1 VAL A 6 -4.253 -10.686 14.011 1.00 74.01 C ATOM 94 CG2 VAL A 6 -6.355 -9.431 14.602 1.00 11.40 C ATOM 0 H VAL A 6 -7.243 -8.658 12.289 1.00 54.23 H new ATOM 0 HA VAL A 6 -4.613 -8.113 12.915 1.00 31.11 H new ATOM 0 HB VAL A 6 -6.104 -10.779 12.959 1.00 71.01 H new ATOM 0 HG11 VAL A 6 -4.532 -11.450 14.737 1.00 74.01 H new ATOM 0 HG12 VAL A 6 -3.703 -11.148 13.191 1.00 74.01 H new ATOM 0 HG13 VAL A 6 -3.624 -9.939 14.495 1.00 74.01 H new ATOM 0 HG21 VAL A 6 -6.591 -10.216 15.320 1.00 11.40 H new ATOM 0 HG22 VAL A 6 -5.794 -8.640 15.100 1.00 11.40 H new ATOM 0 HG23 VAL A 6 -7.280 -9.020 14.197 1.00 11.40 H new ATOM 104 N GLN A 7 -4.878 -10.298 10.431 1.00 11.35 N ATOM 105 CA GLN A 7 -4.135 -10.996 9.377 1.00 74.52 C ATOM 106 C GLN A 7 -3.585 -10.029 8.315 1.00 22.31 C ATOM 107 O GLN A 7 -2.394 -10.061 7.999 1.00 22.22 O ATOM 108 CB GLN A 7 -5.017 -12.066 8.717 1.00 35.04 C ATOM 109 CG GLN A 7 -5.531 -13.132 9.684 1.00 74.12 C ATOM 110 CD GLN A 7 -4.420 -13.784 10.492 1.00 62.40 C ATOM 111 OE1 GLN A 7 -3.817 -14.764 10.071 1.00 14.40 O ATOM 112 NE2 GLN A 7 -4.154 -13.259 11.672 1.00 60.44 N ATOM 0 H GLN A 7 -5.885 -10.457 10.410 1.00 11.35 H new ATOM 0 HA GLN A 7 -3.280 -11.478 9.851 1.00 74.52 H new ATOM 0 HB2 GLN A 7 -5.869 -11.578 8.244 1.00 35.04 H new ATOM 0 HB3 GLN A 7 -4.448 -12.553 7.925 1.00 35.04 H new ATOM 0 HG2 GLN A 7 -6.252 -12.680 10.366 1.00 74.12 H new ATOM 0 HG3 GLN A 7 -6.063 -13.900 9.121 1.00 74.12 H new ATOM 0 HE21 GLN A 7 -4.673 -12.443 11.996 1.00 60.44 H new ATOM 0 HE22 GLN A 7 -3.429 -13.669 12.261 1.00 60.44 H new ATOM 121 N ILE A 8 -4.445 -9.163 7.764 1.00 25.22 N ATOM 122 CA ILE A 8 -4.009 -8.229 6.716 1.00 35.42 C ATOM 123 C ILE A 8 -2.902 -7.289 7.226 1.00 11.44 C ATOM 124 O ILE A 8 -1.913 -7.052 6.532 1.00 30.31 O ATOM 125 CB ILE A 8 -5.183 -7.391 6.133 1.00 40.21 C ATOM 126 CG1 ILE A 8 -5.828 -6.508 7.213 1.00 12.44 C ATOM 127 CG2 ILE A 8 -6.227 -8.305 5.490 1.00 62.12 C ATOM 128 CD1 ILE A 8 -6.928 -5.602 6.696 1.00 71.04 C ATOM 0 H ILE A 8 -5.430 -9.089 8.020 1.00 25.22 H new ATOM 0 HA ILE A 8 -3.610 -8.847 5.911 1.00 35.42 H new ATOM 0 HB ILE A 8 -4.776 -6.734 5.364 1.00 40.21 H new ATOM 0 HG12 ILE A 8 -6.237 -7.149 7.994 1.00 12.44 H new ATOM 0 HG13 ILE A 8 -5.055 -5.895 7.676 1.00 12.44 H new ATOM 0 HG21 ILE A 8 -7.041 -7.701 5.088 1.00 62.12 H new ATOM 0 HG22 ILE A 8 -5.765 -8.875 4.684 1.00 62.12 H new ATOM 0 HG23 ILE A 8 -6.621 -8.991 6.240 1.00 62.12 H new ATOM 0 HD11 ILE A 8 -7.331 -5.013 7.520 1.00 71.04 H new ATOM 0 HD12 ILE A 8 -6.522 -4.934 5.936 1.00 71.04 H new ATOM 0 HD13 ILE A 8 -7.723 -6.207 6.260 1.00 71.04 H new ATOM 140 N PHE A 9 -3.055 -6.778 8.450 1.00 52.43 N ATOM 141 CA PHE A 9 -2.039 -5.903 9.044 1.00 51.34 C ATOM 142 C PHE A 9 -0.716 -6.656 9.256 1.00 32.22 C ATOM 143 O PHE A 9 0.361 -6.120 8.994 1.00 44.34 O ATOM 144 CB PHE A 9 -2.533 -5.312 10.374 1.00 25.25 C ATOM 145 CG PHE A 9 -3.737 -4.404 10.243 1.00 41.50 C ATOM 146 CD1 PHE A 9 -4.060 -3.810 9.026 1.00 52.24 C ATOM 147 CD2 PHE A 9 -4.539 -4.136 11.343 1.00 75.43 C ATOM 148 CE1 PHE A 9 -5.156 -2.975 8.916 1.00 43.42 C ATOM 149 CE2 PHE A 9 -5.636 -3.302 11.234 1.00 34.42 C ATOM 150 CZ PHE A 9 -5.944 -2.722 10.020 1.00 35.44 C ATOM 0 H PHE A 9 -3.865 -6.952 9.045 1.00 52.43 H new ATOM 0 HA PHE A 9 -1.860 -5.085 8.347 1.00 51.34 H new ATOM 0 HB2 PHE A 9 -2.781 -6.129 11.051 1.00 25.25 H new ATOM 0 HB3 PHE A 9 -1.719 -4.752 10.834 1.00 25.25 H new ATOM 0 HD1 PHE A 9 -3.447 -4.004 8.158 1.00 52.24 H new ATOM 0 HD2 PHE A 9 -4.303 -4.585 12.297 1.00 75.43 H new ATOM 0 HE1 PHE A 9 -5.396 -2.521 7.966 1.00 43.42 H new ATOM 0 HE2 PHE A 9 -6.252 -3.104 12.099 1.00 34.42 H new ATOM 0 HZ PHE A 9 -6.801 -2.071 9.934 1.00 35.44 H new ATOM 160 N ALA A 10 -0.809 -7.906 9.715 1.00 43.31 N ATOM 161 CA ALA A 10 0.375 -8.753 9.914 1.00 13.03 C ATOM 162 C ALA A 10 1.197 -8.887 8.620 1.00 30.35 C ATOM 163 O ALA A 10 2.431 -8.896 8.650 1.00 12.54 O ATOM 164 CB ALA A 10 -0.043 -10.129 10.421 1.00 52.20 C ATOM 0 H ALA A 10 -1.691 -8.357 9.957 1.00 43.31 H new ATOM 0 HA ALA A 10 1.008 -8.274 10.661 1.00 13.03 H new ATOM 0 HB1 ALA A 10 0.842 -10.748 10.565 1.00 52.20 H new ATOM 0 HB2 ALA A 10 -0.570 -10.023 11.369 1.00 52.20 H new ATOM 0 HB3 ALA A 10 -0.701 -10.601 9.692 1.00 52.20 H new ATOM 170 N VAL A 11 0.502 -8.989 7.488 1.00 61.12 N ATOM 171 CA VAL A 11 1.165 -9.049 6.181 1.00 0.31 C ATOM 172 C VAL A 11 1.792 -7.691 5.813 1.00 71.41 C ATOM 173 O VAL A 11 2.913 -7.631 5.306 1.00 44.45 O ATOM 174 CB VAL A 11 0.183 -9.485 5.063 1.00 74.11 C ATOM 175 CG1 VAL A 11 0.903 -9.621 3.721 1.00 14.02 C ATOM 176 CG2 VAL A 11 -0.517 -10.793 5.435 1.00 11.11 C ATOM 0 H VAL A 11 -0.516 -9.032 7.447 1.00 61.12 H new ATOM 0 HA VAL A 11 1.955 -9.796 6.261 1.00 0.31 H new ATOM 0 HB VAL A 11 -0.575 -8.708 4.962 1.00 74.11 H new ATOM 0 HG11 VAL A 11 0.191 -9.928 2.955 1.00 14.02 H new ATOM 0 HG12 VAL A 11 1.342 -8.662 3.445 1.00 14.02 H new ATOM 0 HG13 VAL A 11 1.690 -10.370 3.805 1.00 14.02 H new ATOM 0 HG21 VAL A 11 -1.201 -11.080 4.636 1.00 11.11 H new ATOM 0 HG22 VAL A 11 0.227 -11.577 5.574 1.00 11.11 H new ATOM 0 HG23 VAL A 11 -1.077 -10.656 6.360 1.00 11.11 H new ATOM 186 N ILE A 12 1.071 -6.605 6.096 1.00 51.11 N ATOM 187 CA ILE A 12 1.552 -5.246 5.798 1.00 54.21 C ATOM 188 C ILE A 12 2.818 -4.893 6.603 1.00 51.34 C ATOM 189 O ILE A 12 3.690 -4.170 6.122 1.00 40.40 O ATOM 190 CB ILE A 12 0.445 -4.192 6.072 1.00 35.22 C ATOM 191 CG1 ILE A 12 -0.790 -4.490 5.206 1.00 2.41 C ATOM 192 CG2 ILE A 12 0.957 -2.773 5.806 1.00 53.14 C ATOM 193 CD1 ILE A 12 -1.984 -3.612 5.511 1.00 71.44 C ATOM 0 H ILE A 12 0.149 -6.636 6.532 1.00 51.11 H new ATOM 0 HA ILE A 12 1.808 -5.228 4.739 1.00 54.21 H new ATOM 0 HB ILE A 12 0.164 -4.254 7.123 1.00 35.22 H new ATOM 0 HG12 ILE A 12 -0.522 -4.369 4.156 1.00 2.41 H new ATOM 0 HG13 ILE A 12 -1.075 -5.533 5.344 1.00 2.41 H new ATOM 0 HG21 ILE A 12 0.161 -2.056 6.006 1.00 53.14 H new ATOM 0 HG22 ILE A 12 1.806 -2.564 6.457 1.00 53.14 H new ATOM 0 HG23 ILE A 12 1.269 -2.688 4.765 1.00 53.14 H new ATOM 0 HD11 ILE A 12 -2.813 -3.885 4.858 1.00 71.44 H new ATOM 0 HD12 ILE A 12 -2.281 -3.750 6.551 1.00 71.44 H new ATOM 0 HD13 ILE A 12 -1.720 -2.568 5.344 1.00 71.44 H new ATOM 205 N HIS A 13 2.926 -5.414 7.826 1.00 73.15 N ATOM 206 CA HIS A 13 4.139 -5.222 8.636 1.00 4.33 C ATOM 207 C HIS A 13 5.382 -5.838 7.960 1.00 50.10 C ATOM 208 O HIS A 13 6.519 -5.519 8.320 1.00 61.14 O ATOM 209 CB HIS A 13 3.962 -5.819 10.042 1.00 33.43 C ATOM 210 CG HIS A 13 3.137 -4.971 10.966 1.00 75.32 C ATOM 211 ND1 HIS A 13 3.661 -3.842 11.549 1.00 51.14 N ATOM 212 CD2 HIS A 13 1.858 -5.128 11.385 1.00 11.41 C ATOM 213 CE1 HIS A 13 2.700 -3.341 12.302 1.00 43.21 C ATOM 214 NE2 HIS A 13 1.588 -4.084 12.235 1.00 31.50 N ATOM 0 H HIS A 13 2.198 -5.968 8.278 1.00 73.15 H new ATOM 0 HA HIS A 13 4.296 -4.147 8.723 1.00 4.33 H new ATOM 0 HB2 HIS A 13 3.496 -6.800 9.953 1.00 33.43 H new ATOM 0 HB3 HIS A 13 4.945 -5.972 10.487 1.00 33.43 H new ATOM 0 HD2 HIS A 13 1.181 -5.922 11.104 1.00 11.41 H new ATOM 0 HE1 HIS A 13 2.798 -2.445 12.897 1.00 43.21 H new ATOM 0 HE2 HIS A 13 0.709 -3.908 12.722 1.00 31.50 H new ATOM 222 N GLN A 14 5.166 -6.714 6.976 1.00 22.40 N ATOM 223 CA GLN A 14 6.271 -7.388 6.281 1.00 52.32 C ATOM 224 C GLN A 14 6.750 -6.608 5.039 1.00 60.23 C ATOM 225 O GLN A 14 7.648 -7.064 4.328 1.00 74.13 O ATOM 226 CB GLN A 14 5.865 -8.815 5.882 1.00 33.12 C ATOM 227 CG GLN A 14 5.514 -9.710 7.070 1.00 74.13 C ATOM 228 CD GLN A 14 5.302 -11.165 6.679 1.00 25.23 C ATOM 229 OE1 GLN A 14 4.080 -11.528 6.357 1.00 34.24 O flip ATOM 230 NE2 GLN A 14 6.236 -11.962 6.673 1.00 2.42 N flip ATOM 0 H GLN A 14 4.238 -6.975 6.641 1.00 22.40 H new ATOM 0 HA GLN A 14 7.106 -7.430 6.981 1.00 52.32 H new ATOM 0 HB2 GLN A 14 5.008 -8.765 5.211 1.00 33.12 H new ATOM 0 HB3 GLN A 14 6.681 -9.272 5.323 1.00 33.12 H new ATOM 0 HG2 GLN A 14 6.312 -9.651 7.810 1.00 74.13 H new ATOM 0 HG3 GLN A 14 4.609 -9.333 7.547 1.00 74.13 H new ATOM 0 HE21 GLN A 14 7.173 -11.651 6.928 1.00 2.42 H new ATOM 0 HE22 GLN A 14 6.074 -12.935 6.413 1.00 2.42 H new ATOM 239 N ILE A 15 6.163 -5.436 4.780 1.00 23.44 N ATOM 240 CA ILE A 15 6.616 -4.592 3.665 1.00 54.12 C ATOM 241 C ILE A 15 7.935 -3.881 4.027 1.00 33.52 C ATOM 242 O ILE A 15 8.007 -3.167 5.032 1.00 45.05 O ATOM 243 CB ILE A 15 5.562 -3.526 3.255 1.00 2.11 C ATOM 244 CG1 ILE A 15 4.168 -4.160 3.108 1.00 44.53 C ATOM 245 CG2 ILE A 15 5.982 -2.852 1.948 1.00 44.21 C ATOM 246 CD1 ILE A 15 4.095 -5.267 2.078 1.00 32.11 C ATOM 0 H ILE A 15 5.385 -5.052 5.316 1.00 23.44 H new ATOM 0 HA ILE A 15 6.768 -5.259 2.816 1.00 54.12 H new ATOM 0 HB ILE A 15 5.509 -2.773 4.041 1.00 2.11 H new ATOM 0 HG12 ILE A 15 3.858 -4.557 4.075 1.00 44.53 H new ATOM 0 HG13 ILE A 15 3.454 -3.382 2.840 1.00 44.53 H new ATOM 0 HG21 ILE A 15 5.238 -2.106 1.668 1.00 44.21 H new ATOM 0 HG22 ILE A 15 6.949 -2.367 2.083 1.00 44.21 H new ATOM 0 HG23 ILE A 15 6.059 -3.602 1.160 1.00 44.21 H new ATOM 0 HD11 ILE A 15 3.079 -5.660 2.037 1.00 32.11 H new ATOM 0 HD12 ILE A 15 4.371 -4.873 1.100 1.00 32.11 H new ATOM 0 HD13 ILE A 15 4.782 -6.067 2.354 1.00 32.11 H new ATOM 258 N PRO A 16 9.001 -4.083 3.226 1.00 44.33 N ATOM 259 CA PRO A 16 10.328 -3.519 3.502 1.00 71.12 C ATOM 260 C PRO A 16 10.548 -2.115 2.902 1.00 64.31 C ATOM 261 O PRO A 16 9.602 -1.414 2.540 1.00 45.24 O ATOM 262 CB PRO A 16 11.241 -4.545 2.830 1.00 73.24 C ATOM 263 CG PRO A 16 10.474 -4.994 1.627 1.00 43.25 C ATOM 264 CD PRO A 16 9.006 -4.887 1.986 1.00 32.02 C ATOM 0 HA PRO A 16 10.500 -3.367 4.568 1.00 71.12 H new ATOM 0 HB2 PRO A 16 12.197 -4.103 2.549 1.00 73.24 H new ATOM 0 HB3 PRO A 16 11.459 -5.380 3.496 1.00 73.24 H new ATOM 0 HG2 PRO A 16 10.708 -4.372 0.763 1.00 43.25 H new ATOM 0 HG3 PRO A 16 10.734 -6.019 1.361 1.00 43.25 H new ATOM 0 HD2 PRO A 16 8.435 -4.403 1.194 1.00 32.02 H new ATOM 0 HD3 PRO A 16 8.561 -5.869 2.145 1.00 32.02 H new ATOM 272 N LYS A 17 11.814 -1.717 2.811 1.00 2.11 N ATOM 273 CA LYS A 17 12.194 -0.413 2.263 1.00 0.20 C ATOM 274 C LYS A 17 12.175 -0.424 0.722 1.00 24.00 C ATOM 275 O LYS A 17 12.815 -1.263 0.088 1.00 60.21 O ATOM 276 CB LYS A 17 13.592 -0.039 2.801 1.00 54.12 C ATOM 277 CG LYS A 17 14.155 1.302 2.313 1.00 21.43 C ATOM 278 CD LYS A 17 14.904 1.179 0.984 1.00 0.12 C ATOM 279 CE LYS A 17 15.497 2.512 0.537 1.00 4.52 C ATOM 280 NZ LYS A 17 16.215 2.388 -0.757 1.00 72.04 N ATOM 0 H LYS A 17 12.605 -2.285 3.113 1.00 2.11 H new ATOM 0 HA LYS A 17 11.469 0.337 2.580 1.00 0.20 H new ATOM 0 HB2 LYS A 17 13.549 -0.019 3.890 1.00 54.12 H new ATOM 0 HB3 LYS A 17 14.291 -0.828 2.524 1.00 54.12 H new ATOM 0 HG2 LYS A 17 13.338 2.015 2.201 1.00 21.43 H new ATOM 0 HG3 LYS A 17 14.829 1.705 3.069 1.00 21.43 H new ATOM 0 HD2 LYS A 17 15.701 0.443 1.084 1.00 0.12 H new ATOM 0 HD3 LYS A 17 14.223 0.809 0.217 1.00 0.12 H new ATOM 0 HE2 LYS A 17 14.701 3.251 0.442 1.00 4.52 H new ATOM 0 HE3 LYS A 17 16.183 2.879 1.300 1.00 4.52 H new ATOM 0 HZ1 LYS A 17 16.604 3.314 -1.028 1.00 72.04 H new ATOM 0 HZ2 LYS A 17 16.990 1.702 -0.659 1.00 72.04 H new ATOM 0 HZ3 LYS A 17 15.554 2.062 -1.491 1.00 72.04 H new ATOM 294 N GLY A 18 11.420 0.504 0.127 1.00 21.11 N ATOM 295 CA GLY A 18 11.422 0.668 -1.328 1.00 23.51 C ATOM 296 C GLY A 18 10.305 -0.090 -2.043 1.00 75.20 C ATOM 297 O GLY A 18 9.609 0.475 -2.888 1.00 14.13 O ATOM 0 H GLY A 18 10.805 1.147 0.626 1.00 21.11 H new ATOM 0 HA2 GLY A 18 11.335 1.729 -1.563 1.00 23.51 H new ATOM 0 HA3 GLY A 18 12.382 0.332 -1.719 1.00 23.51 H new ATOM 301 N LYS A 19 10.138 -1.369 -1.720 1.00 51.55 N ATOM 302 CA LYS A 19 9.116 -2.205 -2.365 1.00 12.21 C ATOM 303 C LYS A 19 7.714 -1.956 -1.778 1.00 33.13 C ATOM 304 O LYS A 19 7.520 -2.006 -0.565 1.00 1.12 O ATOM 305 CB LYS A 19 9.481 -3.690 -2.225 1.00 5.31 C ATOM 306 CG LYS A 19 10.762 -4.102 -2.953 1.00 70.55 C ATOM 307 CD LYS A 19 10.640 -3.939 -4.469 1.00 65.14 C ATOM 308 CE LYS A 19 11.866 -4.484 -5.198 1.00 62.03 C ATOM 309 NZ LYS A 19 11.741 -4.367 -6.678 1.00 22.23 N ATOM 0 H LYS A 19 10.694 -1.854 -1.016 1.00 51.55 H new ATOM 0 HA LYS A 19 9.090 -1.931 -3.420 1.00 12.21 H new ATOM 0 HB2 LYS A 19 9.588 -3.926 -1.166 1.00 5.31 H new ATOM 0 HB3 LYS A 19 8.654 -4.291 -2.603 1.00 5.31 H new ATOM 0 HG2 LYS A 19 11.595 -3.499 -2.590 1.00 70.55 H new ATOM 0 HG3 LYS A 19 10.994 -5.141 -2.718 1.00 70.55 H new ATOM 0 HD2 LYS A 19 9.748 -4.458 -4.820 1.00 65.14 H new ATOM 0 HD3 LYS A 19 10.512 -2.884 -4.712 1.00 65.14 H new ATOM 0 HE2 LYS A 19 12.753 -3.944 -4.867 1.00 62.03 H new ATOM 0 HE3 LYS A 19 12.011 -5.530 -4.929 1.00 62.03 H new ATOM 0 HZ1 LYS A 19 11.675 -5.317 -7.097 1.00 22.23 H new ATOM 0 HZ2 LYS A 19 10.885 -3.825 -6.912 1.00 22.23 H new ATOM 0 HZ3 LYS A 19 12.576 -3.878 -7.059 1.00 22.23 H new ATOM 323 N VAL A 20 6.743 -1.695 -2.651 1.00 4.25 N ATOM 324 CA VAL A 20 5.346 -1.480 -2.243 1.00 44.34 C ATOM 325 C VAL A 20 4.441 -2.639 -2.706 1.00 4.31 C ATOM 326 O VAL A 20 4.774 -3.363 -3.643 1.00 2.11 O ATOM 327 CB VAL A 20 4.796 -0.142 -2.804 1.00 72.12 C ATOM 328 CG1 VAL A 20 5.594 1.043 -2.260 1.00 21.22 C ATOM 329 CG2 VAL A 20 4.807 -0.142 -4.335 1.00 2.33 C ATOM 0 H VAL A 20 6.896 -1.626 -3.657 1.00 4.25 H new ATOM 0 HA VAL A 20 5.337 -1.439 -1.154 1.00 44.34 H new ATOM 0 HB VAL A 20 3.762 -0.040 -2.473 1.00 72.12 H new ATOM 0 HG11 VAL A 20 5.191 1.971 -2.667 1.00 21.22 H new ATOM 0 HG12 VAL A 20 5.522 1.062 -1.173 1.00 21.22 H new ATOM 0 HG13 VAL A 20 6.639 0.943 -2.552 1.00 21.22 H new ATOM 0 HG21 VAL A 20 4.417 0.807 -4.702 1.00 2.33 H new ATOM 0 HG22 VAL A 20 5.828 -0.276 -4.692 1.00 2.33 H new ATOM 0 HG23 VAL A 20 4.184 -0.957 -4.703 1.00 2.33 H new ATOM 339 N SER A 21 3.293 -2.806 -2.055 1.00 3.13 N ATOM 340 CA SER A 21 2.377 -3.921 -2.369 1.00 41.02 C ATOM 341 C SER A 21 0.966 -3.423 -2.716 1.00 42.35 C ATOM 342 O SER A 21 0.685 -2.224 -2.659 1.00 22.30 O ATOM 343 CB SER A 21 2.298 -4.890 -1.182 1.00 20.14 C ATOM 344 OG SER A 21 1.772 -4.251 -0.031 1.00 14.44 O ATOM 0 H SER A 21 2.968 -2.192 -1.309 1.00 3.13 H new ATOM 0 HA SER A 21 2.779 -4.435 -3.242 1.00 41.02 H new ATOM 0 HB2 SER A 21 1.672 -5.742 -1.446 1.00 20.14 H new ATOM 0 HB3 SER A 21 3.291 -5.281 -0.962 1.00 20.14 H new ATOM 0 HG SER A 21 0.797 -4.345 -0.022 1.00 14.44 H new ATOM 350 N THR A 22 0.074 -4.350 -3.085 1.00 41.02 N ATOM 351 CA THR A 22 -1.318 -3.996 -3.400 1.00 10.44 C ATOM 352 C THR A 22 -2.312 -4.714 -2.471 1.00 55.23 C ATOM 353 O THR A 22 -2.030 -5.803 -1.961 1.00 42.22 O ATOM 354 CB THR A 22 -1.692 -4.322 -4.867 1.00 62.22 C ATOM 355 OG1 THR A 22 -1.754 -5.741 -5.066 1.00 1.21 O ATOM 356 CG2 THR A 22 -0.686 -3.715 -5.841 1.00 65.21 C ATOM 0 H THR A 22 0.287 -5.344 -3.173 1.00 41.02 H new ATOM 0 HA THR A 22 -1.387 -2.919 -3.248 1.00 10.44 H new ATOM 0 HB THR A 22 -2.672 -3.886 -5.062 1.00 62.22 H new ATOM 0 HG1 THR A 22 -0.851 -6.090 -5.216 1.00 1.21 H new ATOM 0 HG21 THR A 22 -0.975 -3.961 -6.863 1.00 65.21 H new ATOM 0 HG22 THR A 22 -0.670 -2.632 -5.719 1.00 65.21 H new ATOM 0 HG23 THR A 22 0.306 -4.118 -5.638 1.00 65.21 H new ATOM 364 N TYR A 23 -3.483 -4.099 -2.268 1.00 45.22 N ATOM 365 CA TYR A 23 -4.516 -4.642 -1.363 1.00 42.12 C ATOM 366 C TYR A 23 -4.880 -6.098 -1.702 1.00 21.32 C ATOM 367 O TYR A 23 -5.088 -6.922 -0.807 1.00 34.11 O ATOM 368 CB TYR A 23 -5.782 -3.771 -1.416 1.00 52.20 C ATOM 369 CG TYR A 23 -5.523 -2.296 -1.169 1.00 62.31 C ATOM 370 CD1 TYR A 23 -4.960 -1.858 0.023 1.00 51.05 C ATOM 371 CD2 TYR A 23 -5.823 -1.345 -2.140 1.00 32.42 C ATOM 372 CE1 TYR A 23 -4.710 -0.518 0.243 1.00 12.15 C ATOM 373 CE2 TYR A 23 -5.571 -0.004 -1.927 1.00 30.43 C ATOM 374 CZ TYR A 23 -5.012 0.403 -0.734 1.00 21.21 C ATOM 375 OH TYR A 23 -4.747 1.733 -0.521 1.00 55.42 O ATOM 0 H TYR A 23 -3.744 -3.222 -2.718 1.00 45.22 H new ATOM 0 HA TYR A 23 -4.098 -4.628 -0.357 1.00 42.12 H new ATOM 0 HB2 TYR A 23 -6.252 -3.889 -2.392 1.00 52.20 H new ATOM 0 HB3 TYR A 23 -6.493 -4.135 -0.674 1.00 52.20 H new ATOM 0 HD1 TYR A 23 -4.714 -2.577 0.790 1.00 51.05 H new ATOM 0 HD2 TYR A 23 -6.260 -1.661 -3.076 1.00 32.42 H new ATOM 0 HE1 TYR A 23 -4.279 -0.194 1.179 1.00 12.15 H new ATOM 0 HE2 TYR A 23 -5.810 0.722 -2.690 1.00 30.43 H new ATOM 0 HH TYR A 23 -3.781 1.862 -0.419 1.00 55.42 H new ATOM 385 N GLY A 24 -4.956 -6.404 -2.997 1.00 10.52 N ATOM 386 CA GLY A 24 -5.292 -7.752 -3.442 1.00 23.44 C ATOM 387 C GLY A 24 -4.284 -8.806 -2.999 1.00 71.22 C ATOM 388 O GLY A 24 -4.661 -9.921 -2.628 1.00 42.34 O ATOM 0 H GLY A 24 -4.790 -5.738 -3.752 1.00 10.52 H new ATOM 0 HA2 GLY A 24 -6.277 -8.018 -3.058 1.00 23.44 H new ATOM 0 HA3 GLY A 24 -5.361 -7.761 -4.530 1.00 23.44 H new ATOM 392 N GLU A 25 -3.002 -8.450 -3.034 1.00 40.42 N ATOM 393 CA GLU A 25 -1.928 -9.372 -2.655 1.00 40.52 C ATOM 394 C GLU A 25 -1.866 -9.557 -1.130 1.00 13.13 C ATOM 395 O GLU A 25 -1.637 -10.665 -0.633 1.00 42.13 O ATOM 396 CB GLU A 25 -0.585 -8.860 -3.196 1.00 13.41 C ATOM 397 CG GLU A 25 -0.585 -8.668 -4.711 1.00 73.41 C ATOM 398 CD GLU A 25 0.722 -8.106 -5.245 1.00 20.13 C ATOM 399 OE1 GLU A 25 0.961 -6.888 -5.088 1.00 52.52 O ATOM 400 OE2 GLU A 25 1.505 -8.877 -5.844 1.00 55.32 O ATOM 0 H GLU A 25 -2.678 -7.527 -3.322 1.00 40.42 H new ATOM 0 HA GLU A 25 -2.138 -10.346 -3.096 1.00 40.52 H new ATOM 0 HB2 GLU A 25 -0.344 -7.912 -2.715 1.00 13.41 H new ATOM 0 HB3 GLU A 25 0.202 -9.564 -2.925 1.00 13.41 H new ATOM 0 HG2 GLU A 25 -0.784 -9.626 -5.192 1.00 73.41 H new ATOM 0 HG3 GLU A 25 -1.400 -7.998 -4.986 1.00 73.41 H new ATOM 407 N ILE A 26 -2.080 -8.468 -0.389 1.00 11.43 N ATOM 408 CA ILE A 26 -2.149 -8.529 1.077 1.00 23.11 C ATOM 409 C ILE A 26 -3.295 -9.447 1.534 1.00 74.52 C ATOM 410 O ILE A 26 -3.084 -10.396 2.295 1.00 72.42 O ATOM 411 CB ILE A 26 -2.348 -7.116 1.694 1.00 33.33 C ATOM 412 CG1 ILE A 26 -1.189 -6.182 1.300 1.00 74.44 C ATOM 413 CG2 ILE A 26 -2.485 -7.203 3.215 1.00 60.42 C ATOM 414 CD1 ILE A 26 0.173 -6.650 1.773 1.00 51.34 C ATOM 0 H ILE A 26 -2.209 -7.533 -0.777 1.00 11.43 H new ATOM 0 HA ILE A 26 -1.200 -8.935 1.426 1.00 23.11 H new ATOM 0 HB ILE A 26 -3.272 -6.697 1.295 1.00 33.33 H new ATOM 0 HG12 ILE A 26 -1.170 -6.082 0.215 1.00 74.44 H new ATOM 0 HG13 ILE A 26 -1.382 -5.190 1.708 1.00 74.44 H new ATOM 0 HG21 ILE A 26 -2.623 -6.203 3.626 1.00 60.42 H new ATOM 0 HG22 ILE A 26 -3.346 -7.821 3.468 1.00 60.42 H new ATOM 0 HG23 ILE A 26 -1.583 -7.647 3.637 1.00 60.42 H new ATOM 0 HD11 ILE A 26 0.934 -5.937 1.455 1.00 51.34 H new ATOM 0 HD12 ILE A 26 0.176 -6.722 2.861 1.00 51.34 H new ATOM 0 HD13 ILE A 26 0.391 -7.628 1.344 1.00 51.34 H new ATOM 426 N ALA A 27 -4.507 -9.162 1.052 1.00 24.11 N ATOM 427 CA ALA A 27 -5.686 -9.979 1.363 1.00 72.11 C ATOM 428 C ALA A 27 -5.497 -11.437 0.913 1.00 73.41 C ATOM 429 O ALA A 27 -5.941 -12.371 1.587 1.00 13.42 O ATOM 430 CB ALA A 27 -6.924 -9.377 0.705 1.00 23.25 C ATOM 0 H ALA A 27 -4.700 -8.368 0.442 1.00 24.11 H new ATOM 0 HA ALA A 27 -5.819 -9.982 2.445 1.00 72.11 H new ATOM 0 HB1 ALA A 27 -7.795 -9.989 0.940 1.00 23.25 H new ATOM 0 HB2 ALA A 27 -7.079 -8.365 1.079 1.00 23.25 H new ATOM 0 HB3 ALA A 27 -6.783 -9.346 -0.375 1.00 23.25 H new ATOM 436 N LYS A 28 -4.826 -11.619 -0.227 1.00 35.43 N ATOM 437 CA LYS A 28 -4.531 -12.954 -0.769 1.00 4.20 C ATOM 438 C LYS A 28 -3.869 -13.854 0.285 1.00 71.24 C ATOM 439 O LYS A 28 -4.428 -14.875 0.690 1.00 54.43 O ATOM 440 CB LYS A 28 -3.611 -12.824 -1.994 1.00 62.31 C ATOM 441 CG LYS A 28 -3.296 -14.145 -2.699 1.00 41.35 C ATOM 442 CD LYS A 28 -2.261 -13.957 -3.811 1.00 52.23 C ATOM 443 CE LYS A 28 -2.711 -12.928 -4.845 1.00 44.40 C ATOM 444 NZ LYS A 28 -1.669 -12.676 -5.879 1.00 15.40 N ATOM 0 H LYS A 28 -4.472 -10.852 -0.800 1.00 35.43 H new ATOM 0 HA LYS A 28 -5.474 -13.416 -1.062 1.00 4.20 H new ATOM 0 HB2 LYS A 28 -4.076 -12.147 -2.711 1.00 62.31 H new ATOM 0 HB3 LYS A 28 -2.675 -12.362 -1.681 1.00 62.31 H new ATOM 0 HG2 LYS A 28 -2.923 -14.866 -1.972 1.00 41.35 H new ATOM 0 HG3 LYS A 28 -4.211 -14.561 -3.120 1.00 41.35 H new ATOM 0 HD2 LYS A 28 -1.313 -13.641 -3.374 1.00 52.23 H new ATOM 0 HD3 LYS A 28 -2.082 -14.912 -4.305 1.00 52.23 H new ATOM 0 HE2 LYS A 28 -3.623 -13.277 -5.329 1.00 44.40 H new ATOM 0 HE3 LYS A 28 -2.955 -11.992 -4.342 1.00 44.40 H new ATOM 0 HZ1 LYS A 28 -2.018 -11.971 -6.559 1.00 15.40 H new ATOM 0 HZ2 LYS A 28 -0.806 -12.318 -5.422 1.00 15.40 H new ATOM 0 HZ3 LYS A 28 -1.454 -13.562 -6.379 1.00 15.40 H new ATOM 458 N MET A 29 -2.686 -13.450 0.745 1.00 25.23 N ATOM 459 CA MET A 29 -1.917 -14.243 1.713 1.00 22.12 C ATOM 460 C MET A 29 -2.510 -14.171 3.132 1.00 72.45 C ATOM 461 O MET A 29 -2.223 -15.025 3.977 1.00 10.14 O ATOM 462 CB MET A 29 -0.455 -13.786 1.717 1.00 74.15 C ATOM 463 CG MET A 29 0.276 -14.099 0.415 1.00 73.24 C ATOM 464 SD MET A 29 1.950 -13.432 0.377 1.00 24.43 S ATOM 465 CE MET A 29 1.607 -11.674 0.418 1.00 43.20 C ATOM 0 H MET A 29 -2.236 -12.579 0.465 1.00 25.23 H new ATOM 0 HA MET A 29 -1.971 -15.286 1.400 1.00 22.12 H new ATOM 0 HB2 MET A 29 -0.417 -12.712 1.898 1.00 74.15 H new ATOM 0 HB3 MET A 29 0.067 -14.267 2.544 1.00 74.15 H new ATOM 0 HG2 MET A 29 0.317 -15.179 0.277 1.00 73.24 H new ATOM 0 HG3 MET A 29 -0.292 -13.692 -0.422 1.00 73.24 H new ATOM 0 HE1 MET A 29 2.241 -11.163 -0.306 1.00 43.20 H new ATOM 0 HE2 MET A 29 0.560 -11.502 0.169 1.00 43.20 H new ATOM 0 HE3 MET A 29 1.811 -11.287 1.416 1.00 43.20 H new ATOM 475 N ALA A 30 -3.336 -13.158 3.393 1.00 72.33 N ATOM 476 CA ALA A 30 -4.023 -13.029 4.687 1.00 21.51 C ATOM 477 C ALA A 30 -5.139 -14.075 4.849 1.00 13.24 C ATOM 478 O ALA A 30 -5.681 -14.260 5.941 1.00 24.23 O ATOM 479 CB ALA A 30 -4.585 -11.622 4.842 1.00 51.25 C ATOM 0 H ALA A 30 -3.548 -12.413 2.729 1.00 72.33 H new ATOM 0 HA ALA A 30 -3.290 -13.211 5.473 1.00 21.51 H new ATOM 0 HB1 ALA A 30 -5.092 -11.536 5.803 1.00 51.25 H new ATOM 0 HB2 ALA A 30 -3.771 -10.898 4.795 1.00 51.25 H new ATOM 0 HB3 ALA A 30 -5.295 -11.423 4.039 1.00 51.25 H new ATOM 485 N GLY A 31 -5.478 -14.756 3.755 1.00 75.50 N ATOM 486 CA GLY A 31 -6.513 -15.784 3.796 1.00 30.43 C ATOM 487 C GLY A 31 -7.881 -15.280 3.344 1.00 70.14 C ATOM 488 O GLY A 31 -8.894 -15.959 3.530 1.00 73.52 O ATOM 0 H GLY A 31 -5.054 -14.615 2.838 1.00 75.50 H new ATOM 0 HA2 GLY A 31 -6.213 -16.618 3.162 1.00 30.43 H new ATOM 0 HA3 GLY A 31 -6.593 -16.169 4.812 1.00 30.43 H new ATOM 492 N TYR A 32 -7.915 -14.085 2.749 1.00 3.34 N ATOM 493 CA TYR A 32 -9.165 -13.494 2.244 1.00 13.44 C ATOM 494 C TYR A 32 -8.957 -12.911 0.829 1.00 45.34 C ATOM 495 O TYR A 32 -9.099 -11.706 0.614 1.00 64.50 O ATOM 496 CB TYR A 32 -9.654 -12.391 3.202 1.00 4.43 C ATOM 497 CG TYR A 32 -9.719 -12.824 4.660 1.00 64.03 C ATOM 498 CD1 TYR A 32 -10.845 -13.461 5.174 1.00 1.41 C ATOM 499 CD2 TYR A 32 -8.645 -12.598 5.519 1.00 14.44 C ATOM 500 CE1 TYR A 32 -10.898 -13.858 6.498 1.00 72.24 C ATOM 501 CE2 TYR A 32 -8.692 -12.996 6.842 1.00 32.02 C ATOM 502 CZ TYR A 32 -9.820 -13.625 7.325 1.00 74.31 C ATOM 503 OH TYR A 32 -9.868 -14.026 8.641 1.00 25.02 O ATOM 0 H TYR A 32 -7.090 -13.503 2.603 1.00 3.34 H new ATOM 0 HA TYR A 32 -9.920 -14.278 2.189 1.00 13.44 H new ATOM 0 HB2 TYR A 32 -8.990 -11.530 3.118 1.00 4.43 H new ATOM 0 HB3 TYR A 32 -10.644 -12.062 2.886 1.00 4.43 H new ATOM 0 HD1 TYR A 32 -11.691 -13.648 4.529 1.00 1.41 H new ATOM 0 HD2 TYR A 32 -7.761 -12.103 5.145 1.00 14.44 H new ATOM 0 HE1 TYR A 32 -11.780 -14.348 6.882 1.00 72.24 H new ATOM 0 HE2 TYR A 32 -7.850 -12.815 7.494 1.00 32.02 H new ATOM 0 HH TYR A 32 -8.965 -14.011 9.021 1.00 25.02 H new ATOM 513 N PRO A 33 -8.632 -13.773 -0.161 1.00 44.01 N ATOM 514 CA PRO A 33 -8.212 -13.332 -1.511 1.00 32.42 C ATOM 515 C PRO A 33 -9.223 -12.426 -2.234 1.00 22.41 C ATOM 516 O PRO A 33 -8.837 -11.606 -3.064 1.00 3.50 O ATOM 517 CB PRO A 33 -8.040 -14.651 -2.283 1.00 53.23 C ATOM 518 CG PRO A 33 -7.821 -15.685 -1.232 1.00 13.23 C ATOM 519 CD PRO A 33 -8.648 -15.246 -0.054 1.00 13.22 C ATOM 0 HA PRO A 33 -7.314 -12.718 -1.445 1.00 32.42 H new ATOM 0 HB2 PRO A 33 -8.923 -14.877 -2.881 1.00 53.23 H new ATOM 0 HB3 PRO A 33 -7.195 -14.600 -2.969 1.00 53.23 H new ATOM 0 HG2 PRO A 33 -8.129 -16.670 -1.582 1.00 13.23 H new ATOM 0 HG3 PRO A 33 -6.766 -15.756 -0.966 1.00 13.23 H new ATOM 0 HD2 PRO A 33 -9.662 -15.642 -0.104 1.00 13.22 H new ATOM 0 HD3 PRO A 33 -8.219 -15.586 0.888 1.00 13.22 H new ATOM 527 N GLY A 34 -10.510 -12.570 -1.923 1.00 54.02 N ATOM 528 CA GLY A 34 -11.539 -11.810 -2.636 1.00 61.33 C ATOM 529 C GLY A 34 -12.024 -10.558 -1.900 1.00 71.22 C ATOM 530 O GLY A 34 -12.982 -9.915 -2.333 1.00 71.03 O ATOM 0 H GLY A 34 -10.862 -13.193 -1.196 1.00 54.02 H new ATOM 0 HA2 GLY A 34 -11.147 -11.515 -3.609 1.00 61.33 H new ATOM 0 HA3 GLY A 34 -12.393 -12.462 -2.820 1.00 61.33 H new ATOM 534 N TYR A 35 -11.356 -10.193 -0.804 1.00 32.33 N ATOM 535 CA TYR A 35 -11.785 -9.055 0.031 1.00 43.25 C ATOM 536 C TYR A 35 -10.765 -7.902 0.019 1.00 42.10 C ATOM 537 O TYR A 35 -10.634 -7.165 0.999 1.00 1.34 O ATOM 538 CB TYR A 35 -12.035 -9.538 1.467 1.00 5.23 C ATOM 539 CG TYR A 35 -13.203 -10.501 1.575 1.00 15.41 C ATOM 540 CD1 TYR A 35 -14.506 -10.031 1.695 1.00 12.23 C ATOM 541 CD2 TYR A 35 -13.007 -11.879 1.542 1.00 22.44 C ATOM 542 CE1 TYR A 35 -15.576 -10.899 1.783 1.00 72.11 C ATOM 543 CE2 TYR A 35 -14.074 -12.753 1.626 1.00 73.24 C ATOM 544 CZ TYR A 35 -15.356 -12.259 1.748 1.00 31.02 C ATOM 545 OH TYR A 35 -16.423 -13.129 1.827 1.00 64.40 O ATOM 0 H TYR A 35 -10.516 -10.665 -0.469 1.00 32.33 H new ATOM 0 HA TYR A 35 -12.709 -8.661 -0.392 1.00 43.25 H new ATOM 0 HB2 TYR A 35 -11.135 -10.024 1.843 1.00 5.23 H new ATOM 0 HB3 TYR A 35 -12.222 -8.676 2.107 1.00 5.23 H new ATOM 0 HD1 TYR A 35 -14.685 -8.966 1.720 1.00 12.23 H new ATOM 0 HD2 TYR A 35 -12.005 -12.271 1.449 1.00 22.44 H new ATOM 0 HE1 TYR A 35 -16.581 -10.514 1.879 1.00 72.11 H new ATOM 0 HE2 TYR A 35 -13.905 -13.819 1.596 1.00 73.24 H new ATOM 0 HH TYR A 35 -16.096 -14.052 1.787 1.00 64.40 H new ATOM 555 N ALA A 36 -10.088 -7.719 -1.116 1.00 4.10 N ATOM 556 CA ALA A 36 -9.066 -6.671 -1.269 1.00 4.42 C ATOM 557 C ALA A 36 -9.592 -5.270 -0.911 1.00 14.41 C ATOM 558 O ALA A 36 -8.899 -4.485 -0.259 1.00 1.50 O ATOM 559 CB ALA A 36 -8.538 -6.673 -2.698 1.00 3.44 C ATOM 0 H ALA A 36 -10.228 -8.286 -1.952 1.00 4.10 H new ATOM 0 HA ALA A 36 -8.263 -6.901 -0.569 1.00 4.42 H new ATOM 0 HB1 ALA A 36 -7.782 -5.896 -2.807 1.00 3.44 H new ATOM 0 HB2 ALA A 36 -8.096 -7.644 -2.921 1.00 3.44 H new ATOM 0 HB3 ALA A 36 -9.358 -6.481 -3.389 1.00 3.44 H new ATOM 565 N ARG A 37 -10.817 -4.963 -1.337 1.00 4.53 N ATOM 566 CA ARG A 37 -11.415 -3.639 -1.100 1.00 4.12 C ATOM 567 C ARG A 37 -11.462 -3.277 0.397 1.00 72.24 C ATOM 568 O ARG A 37 -11.284 -2.114 0.772 1.00 51.03 O ATOM 569 CB ARG A 37 -12.832 -3.578 -1.694 1.00 11.10 C ATOM 570 CG ARG A 37 -13.795 -4.611 -1.110 1.00 75.44 C ATOM 571 CD ARG A 37 -15.204 -4.457 -1.673 1.00 44.20 C ATOM 572 NE ARG A 37 -15.780 -3.154 -1.354 1.00 61.42 N ATOM 573 CZ ARG A 37 -16.748 -2.597 -2.025 1.00 13.24 C ATOM 574 NH1 ARG A 37 -17.270 -3.186 -3.051 1.00 13.34 N ATOM 575 NH2 ARG A 37 -17.197 -1.440 -1.667 1.00 43.22 N ATOM 0 H ARG A 37 -11.418 -5.609 -1.848 1.00 4.53 H new ATOM 0 HA ARG A 37 -10.777 -2.908 -1.596 1.00 4.12 H new ATOM 0 HB2 ARG A 37 -13.241 -2.581 -1.530 1.00 11.10 H new ATOM 0 HB3 ARG A 37 -12.770 -3.723 -2.772 1.00 11.10 H new ATOM 0 HG2 ARG A 37 -13.426 -5.614 -1.325 1.00 75.44 H new ATOM 0 HG3 ARG A 37 -13.824 -4.508 -0.025 1.00 75.44 H new ATOM 0 HD2 ARG A 37 -15.179 -4.587 -2.755 1.00 44.20 H new ATOM 0 HD3 ARG A 37 -15.843 -5.244 -1.272 1.00 44.20 H new ATOM 0 HE ARG A 37 -15.400 -2.647 -0.554 1.00 61.42 H new ATOM 0 HH11 ARG A 37 -16.924 -4.100 -3.345 1.00 13.34 H new ATOM 0 HH12 ARG A 37 -18.027 -2.737 -3.566 1.00 13.34 H new ATOM 0 HH21 ARG A 37 -16.794 -0.964 -0.860 1.00 43.22 H new ATOM 0 HH22 ARG A 37 -17.955 -1.003 -2.191 1.00 43.22 H new ATOM 589 N HIS A 38 -11.679 -4.281 1.244 1.00 34.31 N ATOM 590 CA HIS A 38 -11.802 -4.065 2.691 1.00 34.35 C ATOM 591 C HIS A 38 -10.457 -3.664 3.319 1.00 2.52 C ATOM 592 O HIS A 38 -10.417 -2.899 4.286 1.00 0.52 O ATOM 593 CB HIS A 38 -12.345 -5.329 3.364 1.00 60.30 C ATOM 594 CG HIS A 38 -13.713 -5.718 2.890 1.00 20.12 C ATOM 595 ND1 HIS A 38 -14.843 -5.258 3.516 1.00 74.23 N ATOM 596 CD2 HIS A 38 -14.080 -6.506 1.849 1.00 4.41 C ATOM 597 CE1 HIS A 38 -15.861 -5.765 2.852 1.00 32.10 C ATOM 598 NE2 HIS A 38 -15.450 -6.528 1.834 1.00 53.52 N ATOM 0 H HIS A 38 -11.774 -5.255 0.956 1.00 34.31 H new ATOM 0 HA HIS A 38 -12.500 -3.243 2.850 1.00 34.35 H new ATOM 0 HB2 HIS A 38 -11.657 -6.154 3.179 1.00 60.30 H new ATOM 0 HB3 HIS A 38 -12.373 -5.173 4.442 1.00 60.30 H new ATOM 0 HD2 HIS A 38 -13.420 -7.017 1.164 1.00 4.41 H new ATOM 0 HE1 HIS A 38 -16.897 -5.587 3.099 1.00 32.10 H new ATOM 0 HE2 HIS A 38 -16.043 -7.030 1.173 1.00 53.52 H new ATOM 606 N VAL A 39 -9.360 -4.181 2.763 1.00 34.04 N ATOM 607 CA VAL A 39 -8.013 -3.830 3.231 1.00 52.30 C ATOM 608 C VAL A 39 -7.763 -2.319 3.095 1.00 45.03 C ATOM 609 O VAL A 39 -7.283 -1.670 4.029 1.00 60.34 O ATOM 610 CB VAL A 39 -6.918 -4.604 2.450 1.00 11.34 C ATOM 611 CG1 VAL A 39 -5.523 -4.283 2.988 1.00 20.24 C ATOM 612 CG2 VAL A 39 -7.183 -6.109 2.500 1.00 31.54 C ATOM 0 H VAL A 39 -9.375 -4.844 1.988 1.00 34.04 H new ATOM 0 HA VAL A 39 -7.956 -4.113 4.282 1.00 52.30 H new ATOM 0 HB VAL A 39 -6.957 -4.281 1.410 1.00 11.34 H new ATOM 0 HG11 VAL A 39 -4.777 -4.840 2.421 1.00 20.24 H new ATOM 0 HG12 VAL A 39 -5.331 -3.215 2.888 1.00 20.24 H new ATOM 0 HG13 VAL A 39 -5.465 -4.565 4.039 1.00 20.24 H new ATOM 0 HG21 VAL A 39 -6.404 -6.634 1.947 1.00 31.54 H new ATOM 0 HG22 VAL A 39 -7.180 -6.445 3.537 1.00 31.54 H new ATOM 0 HG23 VAL A 39 -8.153 -6.323 2.052 1.00 31.54 H new ATOM 622 N GLY A 40 -8.112 -1.764 1.933 1.00 74.24 N ATOM 623 CA GLY A 40 -7.990 -0.325 1.721 1.00 53.54 C ATOM 624 C GLY A 40 -8.871 0.481 2.666 1.00 42.12 C ATOM 625 O GLY A 40 -8.468 1.536 3.161 1.00 75.53 O ATOM 0 H GLY A 40 -8.477 -2.283 1.135 1.00 74.24 H new ATOM 0 HA2 GLY A 40 -6.950 -0.028 1.857 1.00 53.54 H new ATOM 0 HA3 GLY A 40 -8.257 -0.089 0.691 1.00 53.54 H new ATOM 629 N LYS A 41 -10.079 -0.021 2.924 1.00 13.51 N ATOM 630 CA LYS A 41 -10.997 0.619 3.870 1.00 3.40 C ATOM 631 C LYS A 41 -10.391 0.685 5.284 1.00 42.35 C ATOM 632 O LYS A 41 -10.517 1.697 5.981 1.00 45.22 O ATOM 633 CB LYS A 41 -12.338 -0.136 3.903 1.00 61.05 C ATOM 634 CG LYS A 41 -13.346 0.434 4.898 1.00 55.22 C ATOM 635 CD LYS A 41 -13.680 1.897 4.603 1.00 1.15 C ATOM 636 CE LYS A 41 -14.495 2.528 5.725 1.00 34.24 C ATOM 637 NZ LYS A 41 -14.760 3.967 5.474 1.00 41.44 N ATOM 0 H LYS A 41 -10.446 -0.869 2.492 1.00 13.51 H new ATOM 0 HA LYS A 41 -11.169 1.640 3.530 1.00 3.40 H new ATOM 0 HB2 LYS A 41 -12.778 -0.119 2.906 1.00 61.05 H new ATOM 0 HB3 LYS A 41 -12.149 -1.181 4.150 1.00 61.05 H new ATOM 0 HG2 LYS A 41 -14.260 -0.159 4.868 1.00 55.22 H new ATOM 0 HG3 LYS A 41 -12.945 0.351 5.908 1.00 55.22 H new ATOM 0 HD2 LYS A 41 -12.757 2.460 4.463 1.00 1.15 H new ATOM 0 HD3 LYS A 41 -14.237 1.961 3.668 1.00 1.15 H new ATOM 0 HE2 LYS A 41 -15.441 1.997 5.829 1.00 34.24 H new ATOM 0 HE3 LYS A 41 -13.961 2.416 6.669 1.00 34.24 H new ATOM 0 HZ1 LYS A 41 -15.317 4.360 6.260 1.00 41.44 H new ATOM 0 HZ2 LYS A 41 -13.857 4.478 5.400 1.00 41.44 H new ATOM 0 HZ3 LYS A 41 -15.292 4.072 4.586 1.00 41.44 H new ATOM 651 N ALA A 42 -9.737 -0.398 5.697 1.00 21.45 N ATOM 652 CA ALA A 42 -9.087 -0.465 7.012 1.00 23.42 C ATOM 653 C ALA A 42 -7.890 0.493 7.112 1.00 61.03 C ATOM 654 O ALA A 42 -7.717 1.185 8.117 1.00 43.42 O ATOM 655 CB ALA A 42 -8.646 -1.896 7.299 1.00 41.42 C ATOM 0 H ALA A 42 -9.641 -1.247 5.140 1.00 21.45 H new ATOM 0 HA ALA A 42 -9.815 -0.151 7.760 1.00 23.42 H new ATOM 0 HB1 ALA A 42 -8.164 -1.939 8.276 1.00 41.42 H new ATOM 0 HB2 ALA A 42 -9.516 -2.553 7.294 1.00 41.42 H new ATOM 0 HB3 ALA A 42 -7.942 -2.220 6.533 1.00 41.42 H new ATOM 661 N LEU A 43 -7.065 0.527 6.066 1.00 32.05 N ATOM 662 CA LEU A 43 -5.888 1.402 6.040 1.00 14.01 C ATOM 663 C LEU A 43 -6.278 2.886 5.957 1.00 14.04 C ATOM 664 O LEU A 43 -5.565 3.752 6.467 1.00 31.05 O ATOM 665 CB LEU A 43 -4.972 1.020 4.874 1.00 1.53 C ATOM 666 CG LEU A 43 -4.312 -0.365 4.996 1.00 4.11 C ATOM 667 CD1 LEU A 43 -3.412 -0.649 3.796 1.00 23.21 C ATOM 668 CD2 LEU A 43 -3.522 -0.475 6.302 1.00 12.00 C ATOM 0 H LEU A 43 -7.187 -0.039 5.226 1.00 32.05 H new ATOM 0 HA LEU A 43 -5.350 1.261 6.977 1.00 14.01 H new ATOM 0 HB2 LEU A 43 -5.551 1.051 3.951 1.00 1.53 H new ATOM 0 HB3 LEU A 43 -4.189 1.773 4.784 1.00 1.53 H new ATOM 0 HG LEU A 43 -5.103 -1.115 5.010 1.00 4.11 H new ATOM 0 HD11 LEU A 43 -2.958 -1.634 3.907 1.00 23.21 H new ATOM 0 HD12 LEU A 43 -4.005 -0.624 2.882 1.00 23.21 H new ATOM 0 HD13 LEU A 43 -2.629 0.108 3.741 1.00 23.21 H new ATOM 0 HD21 LEU A 43 -3.064 -1.462 6.368 1.00 12.00 H new ATOM 0 HD22 LEU A 43 -2.744 0.288 6.322 1.00 12.00 H new ATOM 0 HD23 LEU A 43 -4.195 -0.330 7.147 1.00 12.00 H new ATOM 680 N GLY A 44 -7.423 3.174 5.336 1.00 61.41 N ATOM 681 CA GLY A 44 -7.911 4.551 5.257 1.00 13.35 C ATOM 682 C GLY A 44 -8.517 5.057 6.571 1.00 34.30 C ATOM 683 O GLY A 44 -9.527 5.763 6.566 1.00 12.45 O ATOM 0 H GLY A 44 -8.023 2.482 4.886 1.00 61.41 H new ATOM 0 HA2 GLY A 44 -7.088 5.205 4.969 1.00 13.35 H new ATOM 0 HA3 GLY A 44 -8.661 4.618 4.469 1.00 13.35 H new ATOM 687 N ASN A 45 -7.904 4.680 7.694 1.00 32.33 N ATOM 688 CA ASN A 45 -8.342 5.118 9.025 1.00 61.44 C ATOM 689 C ASN A 45 -7.140 5.175 9.992 1.00 14.14 C ATOM 690 O ASN A 45 -7.296 5.291 11.206 1.00 12.00 O ATOM 691 CB ASN A 45 -9.430 4.161 9.549 1.00 44.11 C ATOM 692 CG ASN A 45 -10.098 4.647 10.827 1.00 41.30 C ATOM 693 OD1 ASN A 45 -9.699 4.288 11.932 1.00 54.22 O ATOM 694 ND2 ASN A 45 -11.115 5.474 10.691 1.00 64.50 N ATOM 0 H ASN A 45 -7.091 4.064 7.709 1.00 32.33 H new ATOM 0 HA ASN A 45 -8.763 6.121 8.957 1.00 61.44 H new ATOM 0 HB2 ASN A 45 -10.189 4.029 8.778 1.00 44.11 H new ATOM 0 HB3 ASN A 45 -8.986 3.182 9.730 1.00 44.11 H new ATOM 0 HD21 ASN A 45 -11.594 5.834 11.517 1.00 64.50 H new ATOM 0 HD22 ASN A 45 -11.424 5.754 9.760 1.00 64.50 H new ATOM 701 N LEU A 46 -5.933 5.122 9.428 1.00 41.22 N ATOM 702 CA LEU A 46 -4.693 5.070 10.217 1.00 32.11 C ATOM 703 C LEU A 46 -3.767 6.256 9.895 1.00 73.21 C ATOM 704 O LEU A 46 -3.653 6.666 8.739 1.00 30.21 O ATOM 705 CB LEU A 46 -3.962 3.750 9.932 1.00 44.23 C ATOM 706 CG LEU A 46 -4.700 2.483 10.394 1.00 42.34 C ATOM 707 CD1 LEU A 46 -4.076 1.238 9.776 1.00 74.13 C ATOM 708 CD2 LEU A 46 -4.699 2.387 11.921 1.00 13.21 C ATOM 0 H LEU A 46 -5.783 5.114 8.419 1.00 41.22 H new ATOM 0 HA LEU A 46 -4.959 5.131 11.272 1.00 32.11 H new ATOM 0 HB2 LEU A 46 -3.782 3.676 8.859 1.00 44.23 H new ATOM 0 HB3 LEU A 46 -2.986 3.781 10.417 1.00 44.23 H new ATOM 0 HG LEU A 46 -5.734 2.548 10.055 1.00 42.34 H new ATOM 0 HD11 LEU A 46 -4.614 0.354 10.117 1.00 74.13 H new ATOM 0 HD12 LEU A 46 -4.135 1.302 8.690 1.00 74.13 H new ATOM 0 HD13 LEU A 46 -3.031 1.166 10.079 1.00 74.13 H new ATOM 0 HD21 LEU A 46 -5.226 1.484 12.229 1.00 13.21 H new ATOM 0 HD22 LEU A 46 -3.671 2.349 12.282 1.00 13.21 H new ATOM 0 HD23 LEU A 46 -5.199 3.260 12.341 1.00 13.21 H new ATOM 720 N PRO A 47 -3.092 6.828 10.912 1.00 43.42 N ATOM 721 CA PRO A 47 -2.129 7.922 10.704 1.00 2.34 C ATOM 722 C PRO A 47 -0.777 7.427 10.151 1.00 41.14 C ATOM 723 O PRO A 47 -0.296 6.357 10.528 1.00 1.22 O ATOM 724 CB PRO A 47 -1.962 8.498 12.116 1.00 52.43 C ATOM 725 CG PRO A 47 -2.184 7.332 13.020 1.00 33.12 C ATOM 726 CD PRO A 47 -3.220 6.470 12.342 1.00 71.14 C ATOM 0 HA PRO A 47 -2.477 8.645 9.966 1.00 2.34 H new ATOM 0 HB2 PRO A 47 -0.969 8.926 12.256 1.00 52.43 H new ATOM 0 HB3 PRO A 47 -2.682 9.293 12.309 1.00 52.43 H new ATOM 0 HG2 PRO A 47 -1.258 6.778 13.177 1.00 33.12 H new ATOM 0 HG3 PRO A 47 -2.530 7.659 14.001 1.00 33.12 H new ATOM 0 HD2 PRO A 47 -3.030 5.410 12.508 1.00 71.14 H new ATOM 0 HD3 PRO A 47 -4.222 6.677 12.719 1.00 71.14 H new ATOM 734 N GLU A 48 -0.165 8.213 9.265 1.00 2.32 N ATOM 735 CA GLU A 48 1.126 7.848 8.652 1.00 24.03 C ATOM 736 C GLU A 48 2.245 7.743 9.704 1.00 74.33 C ATOM 737 O GLU A 48 3.281 7.115 9.468 1.00 61.53 O ATOM 738 CB GLU A 48 1.503 8.876 7.572 1.00 45.11 C ATOM 739 CG GLU A 48 1.720 10.285 8.115 1.00 51.20 C ATOM 740 CD GLU A 48 1.661 11.352 7.034 1.00 0.45 C ATOM 741 OE1 GLU A 48 2.698 11.629 6.401 1.00 13.24 O ATOM 742 OE2 GLU A 48 0.571 11.926 6.824 1.00 72.01 O ATOM 0 H GLU A 48 -0.538 9.109 8.951 1.00 2.32 H new ATOM 0 HA GLU A 48 1.014 6.866 8.192 1.00 24.03 H new ATOM 0 HB2 GLU A 48 2.412 8.546 7.070 1.00 45.11 H new ATOM 0 HB3 GLU A 48 0.716 8.904 6.819 1.00 45.11 H new ATOM 0 HG2 GLU A 48 0.964 10.498 8.870 1.00 51.20 H new ATOM 0 HG3 GLU A 48 2.689 10.332 8.612 1.00 51.20 H new ATOM 749 N GLY A 49 2.026 8.363 10.862 1.00 62.03 N ATOM 750 CA GLY A 49 2.982 8.276 11.959 1.00 15.30 C ATOM 751 C GLY A 49 2.932 6.945 12.715 1.00 12.15 C ATOM 752 O GLY A 49 3.734 6.713 13.622 1.00 11.24 O ATOM 0 H GLY A 49 1.200 8.927 11.062 1.00 62.03 H new ATOM 0 HA2 GLY A 49 3.988 8.422 11.565 1.00 15.30 H new ATOM 0 HA3 GLY A 49 2.792 9.089 12.660 1.00 15.30 H new ATOM 756 N SER A 50 1.995 6.069 12.343 1.00 11.15 N ATOM 757 CA SER A 50 1.850 4.751 12.991 1.00 13.43 C ATOM 758 C SER A 50 2.994 3.791 12.628 1.00 14.34 C ATOM 759 O SER A 50 3.702 3.987 11.637 1.00 75.01 O ATOM 760 CB SER A 50 0.514 4.106 12.593 1.00 43.32 C ATOM 761 OG SER A 50 0.386 2.795 13.130 1.00 2.14 O ATOM 0 H SER A 50 1.322 6.243 11.596 1.00 11.15 H new ATOM 0 HA SER A 50 1.881 4.925 14.067 1.00 13.43 H new ATOM 0 HB2 SER A 50 -0.310 4.727 12.946 1.00 43.32 H new ATOM 0 HB3 SER A 50 0.439 4.064 11.506 1.00 43.32 H new ATOM 0 HG SER A 50 -0.475 2.413 12.860 1.00 2.14 H new ATOM 767 N LYS A 51 3.177 2.753 13.444 1.00 42.53 N ATOM 768 CA LYS A 51 4.144 1.689 13.139 1.00 5.43 C ATOM 769 C LYS A 51 3.627 0.788 12.009 1.00 2.35 C ATOM 770 O LYS A 51 4.397 0.067 11.369 1.00 44.21 O ATOM 771 CB LYS A 51 4.441 0.850 14.391 1.00 34.13 C ATOM 772 CG LYS A 51 5.252 1.587 15.453 1.00 23.10 C ATOM 773 CD LYS A 51 6.633 1.986 14.931 1.00 54.34 C ATOM 774 CE LYS A 51 7.507 2.590 16.025 1.00 55.41 C ATOM 775 NZ LYS A 51 7.796 1.614 17.108 1.00 12.52 N ATOM 0 H LYS A 51 2.671 2.623 14.320 1.00 42.53 H new ATOM 0 HA LYS A 51 5.069 2.161 12.808 1.00 5.43 H new ATOM 0 HB2 LYS A 51 3.498 0.524 14.830 1.00 34.13 H new ATOM 0 HB3 LYS A 51 4.982 -0.049 14.094 1.00 34.13 H new ATOM 0 HG2 LYS A 51 4.711 2.478 15.771 1.00 23.10 H new ATOM 0 HG3 LYS A 51 5.364 0.952 16.332 1.00 23.10 H new ATOM 0 HD2 LYS A 51 7.129 1.110 14.513 1.00 54.34 H new ATOM 0 HD3 LYS A 51 6.520 2.705 14.120 1.00 54.34 H new ATOM 0 HE2 LYS A 51 8.444 2.937 15.590 1.00 55.41 H new ATOM 0 HE3 LYS A 51 7.009 3.463 16.447 1.00 55.41 H new ATOM 0 HZ1 LYS A 51 8.571 1.973 17.701 1.00 12.52 H new ATOM 0 HZ2 LYS A 51 6.946 1.482 17.692 1.00 12.52 H new ATOM 0 HZ3 LYS A 51 8.074 0.703 16.690 1.00 12.52 H new ATOM 789 N LEU A 52 2.317 0.831 11.779 1.00 3.12 N ATOM 790 CA LEU A 52 1.698 0.120 10.660 1.00 23.11 C ATOM 791 C LEU A 52 1.601 1.044 9.433 1.00 41.35 C ATOM 792 O LEU A 52 0.772 1.956 9.396 1.00 64.51 O ATOM 793 CB LEU A 52 0.302 -0.383 11.053 1.00 5.13 C ATOM 794 CG LEU A 52 -0.470 -1.118 9.943 1.00 54.13 C ATOM 795 CD1 LEU A 52 0.242 -2.404 9.524 1.00 34.03 C ATOM 796 CD2 LEU A 52 -1.892 -1.412 10.396 1.00 53.53 C ATOM 0 H LEU A 52 1.659 1.354 12.356 1.00 3.12 H new ATOM 0 HA LEU A 52 2.320 -0.739 10.407 1.00 23.11 H new ATOM 0 HB2 LEU A 52 0.403 -1.053 11.907 1.00 5.13 H new ATOM 0 HB3 LEU A 52 -0.293 0.468 11.384 1.00 5.13 H new ATOM 0 HG LEU A 52 -0.508 -0.466 9.071 1.00 54.13 H new ATOM 0 HD11 LEU A 52 -0.331 -2.898 8.739 1.00 34.03 H new ATOM 0 HD12 LEU A 52 1.238 -2.164 9.151 1.00 34.03 H new ATOM 0 HD13 LEU A 52 0.327 -3.069 10.383 1.00 34.03 H new ATOM 0 HD21 LEU A 52 -2.427 -1.932 9.601 1.00 53.53 H new ATOM 0 HD22 LEU A 52 -1.868 -2.039 11.287 1.00 53.53 H new ATOM 0 HD23 LEU A 52 -2.402 -0.476 10.624 1.00 53.53 H new ATOM 808 N PRO A 53 2.453 0.830 8.415 1.00 20.03 N ATOM 809 CA PRO A 53 2.528 1.731 7.263 1.00 64.23 C ATOM 810 C PRO A 53 1.460 1.460 6.184 1.00 50.44 C ATOM 811 O PRO A 53 1.629 0.594 5.323 1.00 65.33 O ATOM 812 CB PRO A 53 3.936 1.451 6.725 1.00 14.00 C ATOM 813 CG PRO A 53 4.191 0.013 7.049 1.00 74.35 C ATOM 814 CD PRO A 53 3.408 -0.293 8.307 1.00 13.55 C ATOM 0 HA PRO A 53 2.342 2.768 7.544 1.00 64.23 H new ATOM 0 HB2 PRO A 53 3.992 1.630 5.651 1.00 14.00 H new ATOM 0 HB3 PRO A 53 4.675 2.099 7.195 1.00 14.00 H new ATOM 0 HG2 PRO A 53 3.873 -0.631 6.229 1.00 74.35 H new ATOM 0 HG3 PRO A 53 5.255 -0.167 7.202 1.00 74.35 H new ATOM 0 HD2 PRO A 53 2.892 -1.250 8.233 1.00 13.55 H new ATOM 0 HD3 PRO A 53 4.059 -0.348 9.179 1.00 13.55 H new ATOM 822 N TRP A 54 0.358 2.213 6.230 1.00 61.54 N ATOM 823 CA TRP A 54 -0.639 2.183 5.153 1.00 20.34 C ATOM 824 C TRP A 54 -0.055 2.764 3.856 1.00 51.25 C ATOM 825 O TRP A 54 -0.475 2.416 2.753 1.00 32.34 O ATOM 826 CB TRP A 54 -1.902 2.961 5.560 1.00 44.10 C ATOM 827 CG TRP A 54 -1.663 4.415 5.874 1.00 0.34 C ATOM 828 CD1 TRP A 54 -1.405 4.957 7.102 1.00 2.34 C ATOM 829 CD2 TRP A 54 -1.679 5.516 4.948 1.00 31.02 C ATOM 830 NE1 TRP A 54 -1.253 6.317 6.996 1.00 32.21 N ATOM 831 CE2 TRP A 54 -1.412 6.684 5.686 1.00 34.41 C ATOM 832 CE3 TRP A 54 -1.881 5.624 3.568 1.00 64.51 C ATOM 833 CZ2 TRP A 54 -1.352 7.944 5.093 1.00 74.21 C ATOM 834 CZ3 TRP A 54 -1.822 6.874 2.980 1.00 73.45 C ATOM 835 CH2 TRP A 54 -1.555 8.020 3.742 1.00 74.54 C ATOM 0 H TRP A 54 0.133 2.848 6.996 1.00 61.54 H new ATOM 0 HA TRP A 54 -0.913 1.143 4.976 1.00 20.34 H new ATOM 0 HB2 TRP A 54 -2.632 2.891 4.754 1.00 44.10 H new ATOM 0 HB3 TRP A 54 -2.344 2.481 6.433 1.00 44.10 H new ATOM 0 HD1 TRP A 54 -1.331 4.396 8.022 1.00 2.34 H new ATOM 0 HE1 TRP A 54 -1.054 6.952 7.769 1.00 32.21 H new ATOM 0 HE3 TRP A 54 -2.080 4.746 2.972 1.00 64.51 H new ATOM 0 HZ2 TRP A 54 -1.152 8.829 5.679 1.00 74.21 H new ATOM 0 HZ3 TRP A 54 -1.984 6.969 1.916 1.00 73.45 H new ATOM 0 HH2 TRP A 54 -1.509 8.982 3.253 1.00 74.54 H new ATOM 846 N PHE A 55 0.942 3.639 4.006 1.00 62.55 N ATOM 847 CA PHE A 55 1.591 4.297 2.866 1.00 54.50 C ATOM 848 C PHE A 55 2.519 3.345 2.079 1.00 33.42 C ATOM 849 O PHE A 55 3.356 3.791 1.303 1.00 51.13 O ATOM 850 CB PHE A 55 2.372 5.536 3.347 1.00 54.33 C ATOM 851 CG PHE A 55 3.346 5.266 4.473 1.00 71.42 C ATOM 852 CD1 PHE A 55 4.624 4.788 4.211 1.00 65.00 C ATOM 853 CD2 PHE A 55 2.985 5.502 5.793 1.00 70.25 C ATOM 854 CE1 PHE A 55 5.517 4.551 5.238 1.00 74.43 C ATOM 855 CE2 PHE A 55 3.876 5.266 6.822 1.00 55.32 C ATOM 856 CZ PHE A 55 5.142 4.790 6.544 1.00 1.30 C ATOM 0 H PHE A 55 1.321 3.911 4.913 1.00 62.55 H new ATOM 0 HA PHE A 55 0.803 4.606 2.179 1.00 54.50 H new ATOM 0 HB2 PHE A 55 2.919 5.955 2.503 1.00 54.33 H new ATOM 0 HB3 PHE A 55 1.660 6.294 3.673 1.00 54.33 H new ATOM 0 HD1 PHE A 55 4.923 4.599 3.191 1.00 65.00 H new ATOM 0 HD2 PHE A 55 1.996 5.874 6.018 1.00 70.25 H new ATOM 0 HE1 PHE A 55 6.507 4.179 5.019 1.00 74.43 H new ATOM 0 HE2 PHE A 55 3.582 5.454 7.844 1.00 55.32 H new ATOM 0 HZ PHE A 55 5.838 4.605 7.349 1.00 1.30 H new ATOM 866 N ARG A 56 2.367 2.040 2.283 1.00 74.21 N ATOM 867 CA ARG A 56 3.147 1.039 1.541 1.00 4.34 C ATOM 868 C ARG A 56 2.251 0.171 0.641 1.00 60.12 C ATOM 869 O ARG A 56 2.748 -0.660 -0.124 1.00 33.53 O ATOM 870 CB ARG A 56 3.910 0.130 2.515 1.00 25.33 C ATOM 871 CG ARG A 56 4.973 0.836 3.356 1.00 74.42 C ATOM 872 CD ARG A 56 6.101 1.413 2.504 1.00 21.21 C ATOM 873 NE ARG A 56 7.201 1.914 3.332 1.00 24.12 N ATOM 874 CZ ARG A 56 7.849 3.033 3.123 1.00 45.00 C ATOM 875 NH1 ARG A 56 7.558 3.803 2.122 1.00 34.20 N ATOM 876 NH2 ARG A 56 8.797 3.383 3.929 1.00 15.51 N ATOM 0 H ARG A 56 1.711 1.644 2.956 1.00 74.21 H new ATOM 0 HA ARG A 56 3.850 1.581 0.909 1.00 4.34 H new ATOM 0 HB2 ARG A 56 3.192 -0.343 3.185 1.00 25.33 H new ATOM 0 HB3 ARG A 56 4.388 -0.667 1.946 1.00 25.33 H new ATOM 0 HG2 ARG A 56 4.506 1.638 3.928 1.00 74.42 H new ATOM 0 HG3 ARG A 56 5.389 0.132 4.076 1.00 74.42 H new ATOM 0 HD2 ARG A 56 6.475 0.645 1.827 1.00 21.21 H new ATOM 0 HD3 ARG A 56 5.713 2.222 1.885 1.00 21.21 H new ATOM 0 HE ARG A 56 7.484 1.348 4.132 1.00 24.12 H new ATOM 0 HH11 ARG A 56 6.811 3.542 1.478 1.00 34.20 H new ATOM 0 HH12 ARG A 56 8.076 4.670 1.978 1.00 34.20 H new ATOM 0 HH21 ARG A 56 9.037 2.789 4.723 1.00 15.51 H new ATOM 0 HH22 ARG A 56 9.305 4.253 3.771 1.00 15.51 H new ATOM 890 N VAL A 57 0.931 0.354 0.736 1.00 45.04 N ATOM 891 CA VAL A 57 -0.017 -0.509 0.014 1.00 24.20 C ATOM 892 C VAL A 57 -1.029 0.304 -0.824 1.00 43.51 C ATOM 893 O VAL A 57 -1.768 1.141 -0.297 1.00 60.11 O ATOM 894 CB VAL A 57 -0.796 -1.428 0.994 1.00 32.04 C ATOM 895 CG1 VAL A 57 -1.616 -2.465 0.234 1.00 43.42 C ATOM 896 CG2 VAL A 57 0.154 -2.109 1.982 1.00 60.13 C ATOM 0 H VAL A 57 0.495 1.084 1.299 1.00 45.04 H new ATOM 0 HA VAL A 57 0.582 -1.118 -0.663 1.00 24.20 H new ATOM 0 HB VAL A 57 -1.483 -0.801 1.563 1.00 32.04 H new ATOM 0 HG11 VAL A 57 -2.152 -3.096 0.943 1.00 43.42 H new ATOM 0 HG12 VAL A 57 -2.331 -1.959 -0.414 1.00 43.42 H new ATOM 0 HG13 VAL A 57 -0.952 -3.082 -0.371 1.00 43.42 H new ATOM 0 HG21 VAL A 57 -0.418 -2.746 2.656 1.00 60.13 H new ATOM 0 HG22 VAL A 57 0.875 -2.715 1.434 1.00 60.13 H new ATOM 0 HG23 VAL A 57 0.682 -1.351 2.560 1.00 60.13 H new ATOM 906 N ILE A 58 -1.053 0.041 -2.133 1.00 13.12 N ATOM 907 CA ILE A 58 -2.008 0.685 -3.053 1.00 51.43 C ATOM 908 C ILE A 58 -2.844 -0.369 -3.809 1.00 72.12 C ATOM 909 O ILE A 58 -2.844 -1.543 -3.452 1.00 55.02 O ATOM 910 CB ILE A 58 -1.285 1.600 -4.077 1.00 12.42 C ATOM 911 CG1 ILE A 58 -0.289 0.791 -4.927 1.00 22.04 C ATOM 912 CG2 ILE A 58 -0.577 2.752 -3.364 1.00 51.10 C ATOM 913 CD1 ILE A 58 0.396 1.608 -6.002 1.00 41.53 C ATOM 0 H ILE A 58 -0.419 -0.617 -2.587 1.00 13.12 H new ATOM 0 HA ILE A 58 -2.671 1.300 -2.444 1.00 51.43 H new ATOM 0 HB ILE A 58 -2.036 2.021 -4.746 1.00 12.42 H new ATOM 0 HG12 ILE A 58 0.468 0.360 -4.272 1.00 22.04 H new ATOM 0 HG13 ILE A 58 -0.816 -0.041 -5.395 1.00 22.04 H new ATOM 0 HG21 ILE A 58 -0.076 3.382 -4.099 1.00 51.10 H new ATOM 0 HG22 ILE A 58 -1.309 3.345 -2.816 1.00 51.10 H new ATOM 0 HG23 ILE A 58 0.160 2.351 -2.668 1.00 51.10 H new ATOM 0 HD11 ILE A 58 1.083 0.972 -6.560 1.00 41.53 H new ATOM 0 HD12 ILE A 58 -0.353 2.017 -6.681 1.00 41.53 H new ATOM 0 HD13 ILE A 58 0.952 2.424 -5.540 1.00 41.53 H new ATOM 925 N ASN A 59 -3.588 0.054 -4.830 1.00 72.11 N ATOM 926 CA ASN A 59 -4.386 -0.882 -5.645 1.00 55.01 C ATOM 927 C ASN A 59 -3.641 -1.303 -6.931 1.00 32.01 C ATOM 928 O ASN A 59 -2.781 -0.578 -7.435 1.00 3.03 O ATOM 929 CB ASN A 59 -5.763 -0.283 -5.973 1.00 14.25 C ATOM 930 CG ASN A 59 -5.723 1.223 -6.111 1.00 30.11 C ATOM 931 OD1 ASN A 59 -5.374 1.702 -7.281 1.00 10.33 O flip ATOM 932 ND2 ASN A 59 -5.985 1.953 -5.166 1.00 35.11 N flip ATOM 0 H ASN A 59 -3.660 1.030 -5.117 1.00 72.11 H new ATOM 0 HA ASN A 59 -4.539 -1.784 -5.053 1.00 55.01 H new ATOM 0 HB2 ASN A 59 -6.134 -0.720 -6.900 1.00 14.25 H new ATOM 0 HB3 ASN A 59 -6.469 -0.554 -5.188 1.00 14.25 H new ATOM 0 HD21 ASN A 59 -6.253 1.549 -4.269 1.00 35.11 H new ATOM 0 HD22 ASN A 59 -5.935 2.966 -5.275 1.00 35.11 H new ATOM 939 N SER A 60 -4.011 -2.474 -7.464 1.00 22.23 N ATOM 940 CA SER A 60 -3.283 -3.134 -8.571 1.00 53.11 C ATOM 941 C SER A 60 -3.072 -2.247 -9.815 1.00 42.35 C ATOM 942 O SER A 60 -2.102 -2.437 -10.550 1.00 13.50 O ATOM 943 CB SER A 60 -4.017 -4.415 -8.987 1.00 25.42 C ATOM 944 OG SER A 60 -5.340 -4.132 -9.417 1.00 54.41 O ATOM 0 H SER A 60 -4.826 -2.998 -7.143 1.00 22.23 H new ATOM 0 HA SER A 60 -2.291 -3.355 -8.178 1.00 53.11 H new ATOM 0 HB2 SER A 60 -3.468 -4.907 -9.790 1.00 25.42 H new ATOM 0 HB3 SER A 60 -4.045 -5.110 -8.148 1.00 25.42 H new ATOM 0 HG SER A 60 -5.785 -4.966 -9.678 1.00 54.41 H new ATOM 950 N GLN A 61 -3.967 -1.293 -10.067 1.00 12.40 N ATOM 951 CA GLN A 61 -3.842 -0.414 -11.248 1.00 1.40 C ATOM 952 C GLN A 61 -2.655 0.569 -11.129 1.00 1.54 C ATOM 953 O GLN A 61 -2.369 1.317 -12.064 1.00 71.41 O ATOM 954 CB GLN A 61 -5.153 0.356 -11.499 1.00 32.11 C ATOM 955 CG GLN A 61 -5.649 1.148 -10.296 1.00 45.01 C ATOM 956 CD GLN A 61 -6.920 1.931 -10.586 1.00 43.35 C ATOM 957 OE1 GLN A 61 -6.869 3.093 -10.979 1.00 21.51 O ATOM 958 NE2 GLN A 61 -8.067 1.306 -10.401 1.00 5.34 N ATOM 0 H GLN A 61 -4.781 -1.103 -9.482 1.00 12.40 H new ATOM 0 HA GLN A 61 -3.642 -1.061 -12.102 1.00 1.40 H new ATOM 0 HB2 GLN A 61 -5.006 1.040 -12.335 1.00 32.11 H new ATOM 0 HB3 GLN A 61 -5.926 -0.352 -11.798 1.00 32.11 H new ATOM 0 HG2 GLN A 61 -5.831 0.464 -9.467 1.00 45.01 H new ATOM 0 HG3 GLN A 61 -4.869 1.838 -9.975 1.00 45.01 H new ATOM 0 HE21 GLN A 61 -8.074 0.340 -10.074 1.00 5.34 H new ATOM 0 HE22 GLN A 61 -8.946 1.789 -10.586 1.00 5.34 H new ATOM 967 N GLY A 62 -1.969 0.566 -9.982 1.00 61.14 N ATOM 968 CA GLY A 62 -0.789 1.417 -9.803 1.00 44.40 C ATOM 969 C GLY A 62 -1.122 2.838 -9.362 1.00 73.32 C ATOM 970 O GLY A 62 -0.264 3.718 -9.373 1.00 63.03 O ATOM 0 H GLY A 62 -2.206 -0.008 -9.173 1.00 61.14 H new ATOM 0 HA2 GLY A 62 -0.131 0.961 -9.063 1.00 44.40 H new ATOM 0 HA3 GLY A 62 -0.235 1.457 -10.741 1.00 44.40 H new ATOM 974 N LYS A 63 -2.370 3.059 -8.966 1.00 64.32 N ATOM 975 CA LYS A 63 -2.828 4.382 -8.531 1.00 70.30 C ATOM 976 C LYS A 63 -3.058 4.415 -7.013 1.00 21.04 C ATOM 977 O LYS A 63 -3.569 3.457 -6.433 1.00 64.13 O ATOM 978 CB LYS A 63 -4.122 4.751 -9.274 1.00 63.12 C ATOM 979 CG LYS A 63 -4.614 6.169 -9.004 1.00 75.31 C ATOM 980 CD LYS A 63 -5.893 6.501 -9.779 1.00 70.31 C ATOM 981 CE LYS A 63 -5.676 6.570 -11.296 1.00 34.22 C ATOM 982 NZ LYS A 63 -5.441 5.236 -11.914 1.00 25.14 N ATOM 0 H LYS A 63 -3.090 2.337 -8.936 1.00 64.32 H new ATOM 0 HA LYS A 63 -2.054 5.112 -8.768 1.00 70.30 H new ATOM 0 HB2 LYS A 63 -3.959 4.633 -10.345 1.00 63.12 H new ATOM 0 HB3 LYS A 63 -4.904 4.047 -8.991 1.00 63.12 H new ATOM 0 HG2 LYS A 63 -4.798 6.290 -7.936 1.00 75.31 H new ATOM 0 HG3 LYS A 63 -3.833 6.879 -9.275 1.00 75.31 H new ATOM 0 HD2 LYS A 63 -6.649 5.747 -9.560 1.00 70.31 H new ATOM 0 HD3 LYS A 63 -6.285 7.457 -9.430 1.00 70.31 H new ATOM 0 HE2 LYS A 63 -6.548 7.031 -11.761 1.00 34.22 H new ATOM 0 HE3 LYS A 63 -4.824 7.216 -11.506 1.00 34.22 H new ATOM 0 HZ1 LYS A 63 -5.927 5.188 -12.832 1.00 25.14 H new ATOM 0 HZ2 LYS A 63 -4.420 5.094 -12.055 1.00 25.14 H new ATOM 0 HZ3 LYS A 63 -5.811 4.493 -11.287 1.00 25.14 H new ATOM 996 N ILE A 64 -2.676 5.517 -6.376 1.00 62.42 N ATOM 997 CA ILE A 64 -2.882 5.685 -4.934 1.00 23.30 C ATOM 998 C ILE A 64 -4.382 5.769 -4.596 1.00 3.34 C ATOM 999 O ILE A 64 -5.105 6.603 -5.145 1.00 34.31 O ATOM 1000 CB ILE A 64 -2.163 6.956 -4.415 1.00 53.40 C ATOM 1001 CG1 ILE A 64 -0.659 6.882 -4.737 1.00 52.12 C ATOM 1002 CG2 ILE A 64 -2.388 7.135 -2.911 1.00 22.32 C ATOM 1003 CD1 ILE A 64 0.137 8.082 -4.266 1.00 32.41 C ATOM 0 H ILE A 64 -2.222 6.309 -6.831 1.00 62.42 H new ATOM 0 HA ILE A 64 -2.457 4.811 -4.441 1.00 23.30 H new ATOM 0 HB ILE A 64 -2.586 7.824 -4.921 1.00 53.40 H new ATOM 0 HG12 ILE A 64 -0.245 5.983 -4.280 1.00 52.12 H new ATOM 0 HG13 ILE A 64 -0.534 6.778 -5.815 1.00 52.12 H new ATOM 0 HG21 ILE A 64 -1.874 8.034 -2.571 1.00 22.32 H new ATOM 0 HG22 ILE A 64 -3.455 7.230 -2.712 1.00 22.32 H new ATOM 0 HG23 ILE A 64 -1.995 6.269 -2.379 1.00 22.32 H new ATOM 0 HD11 ILE A 64 1.186 7.950 -4.532 1.00 32.41 H new ATOM 0 HD12 ILE A 64 -0.248 8.984 -4.743 1.00 32.41 H new ATOM 0 HD13 ILE A 64 0.046 8.177 -3.184 1.00 32.41 H new ATOM 1015 N SER A 65 -4.840 4.898 -3.695 1.00 22.03 N ATOM 1016 CA SER A 65 -6.260 4.851 -3.307 1.00 71.21 C ATOM 1017 C SER A 65 -6.726 6.177 -2.691 1.00 72.45 C ATOM 1018 O SER A 65 -7.649 6.824 -3.199 1.00 43.34 O ATOM 1019 CB SER A 65 -6.511 3.709 -2.312 1.00 62.44 C ATOM 1020 OG SER A 65 -7.884 3.623 -1.958 1.00 4.31 O ATOM 0 H SER A 65 -4.253 4.214 -3.218 1.00 22.03 H new ATOM 0 HA SER A 65 -6.835 4.675 -4.216 1.00 71.21 H new ATOM 0 HB2 SER A 65 -6.187 2.765 -2.750 1.00 62.44 H new ATOM 0 HB3 SER A 65 -5.912 3.867 -1.415 1.00 62.44 H new ATOM 0 HG SER A 65 -8.013 2.886 -1.325 1.00 4.31 H new ATOM 1026 N LEU A 66 -6.086 6.573 -1.593 1.00 44.33 N ATOM 1027 CA LEU A 66 -6.404 7.835 -0.921 1.00 72.01 C ATOM 1028 C LEU A 66 -5.920 9.034 -1.757 1.00 64.34 C ATOM 1029 O LEU A 66 -4.773 9.074 -2.200 1.00 2.03 O ATOM 1030 CB LEU A 66 -5.773 7.857 0.477 1.00 2.31 C ATOM 1031 CG LEU A 66 -6.209 6.716 1.414 1.00 43.41 C ATOM 1032 CD1 LEU A 66 -5.524 6.836 2.774 1.00 11.42 C ATOM 1033 CD2 LEU A 66 -7.728 6.697 1.573 1.00 65.42 C ATOM 0 H LEU A 66 -5.341 6.037 -1.147 1.00 44.33 H new ATOM 0 HA LEU A 66 -7.486 7.914 -0.817 1.00 72.01 H new ATOM 0 HB2 LEU A 66 -4.689 7.822 0.369 1.00 2.31 H new ATOM 0 HB3 LEU A 66 -6.015 8.808 0.952 1.00 2.31 H new ATOM 0 HG LEU A 66 -5.902 5.772 0.963 1.00 43.41 H new ATOM 0 HD11 LEU A 66 -5.848 6.019 3.418 1.00 11.42 H new ATOM 0 HD12 LEU A 66 -4.443 6.787 2.642 1.00 11.42 H new ATOM 0 HD13 LEU A 66 -5.791 7.788 3.233 1.00 11.42 H new ATOM 0 HD21 LEU A 66 -8.014 5.883 2.239 1.00 65.42 H new ATOM 0 HD22 LEU A 66 -8.062 7.645 1.995 1.00 65.42 H new ATOM 0 HD23 LEU A 66 -8.194 6.549 0.599 1.00 65.42 H new ATOM 1045 N LYS A 67 -6.799 10.014 -1.962 1.00 52.21 N ATOM 1046 CA LYS A 67 -6.540 11.103 -2.918 1.00 75.42 C ATOM 1047 C LYS A 67 -6.332 12.461 -2.227 1.00 34.15 C ATOM 1048 O LYS A 67 -6.497 12.590 -1.012 1.00 43.10 O ATOM 1049 CB LYS A 67 -7.712 11.181 -3.907 1.00 32.42 C ATOM 1050 CG LYS A 67 -8.029 9.838 -4.557 1.00 51.03 C ATOM 1051 CD LYS A 67 -9.335 9.864 -5.342 1.00 50.13 C ATOM 1052 CE LYS A 67 -9.728 8.464 -5.798 1.00 41.42 C ATOM 1053 NZ LYS A 67 -9.902 7.538 -4.644 1.00 42.32 N ATOM 0 H LYS A 67 -7.697 10.081 -1.482 1.00 52.21 H new ATOM 0 HA LYS A 67 -5.612 10.879 -3.443 1.00 75.42 H new ATOM 0 HB2 LYS A 67 -8.597 11.545 -3.386 1.00 32.42 H new ATOM 0 HB3 LYS A 67 -7.478 11.909 -4.684 1.00 32.42 H new ATOM 0 HG2 LYS A 67 -7.213 9.559 -5.224 1.00 51.03 H new ATOM 0 HG3 LYS A 67 -8.087 9.070 -3.786 1.00 51.03 H new ATOM 0 HD2 LYS A 67 -10.127 10.284 -4.722 1.00 50.13 H new ATOM 0 HD3 LYS A 67 -9.229 10.516 -6.209 1.00 50.13 H new ATOM 0 HE2 LYS A 67 -10.656 8.514 -6.368 1.00 41.42 H new ATOM 0 HE3 LYS A 67 -8.963 8.071 -6.468 1.00 41.42 H new ATOM 0 HZ1 LYS A 67 -10.507 6.741 -4.927 1.00 42.32 H new ATOM 0 HZ2 LYS A 67 -8.973 7.178 -4.344 1.00 42.32 H new ATOM 0 HZ3 LYS A 67 -10.347 8.048 -3.854 1.00 42.32 H new ATOM 1067 N GLY A 68 -5.957 13.469 -3.017 1.00 51.01 N ATOM 1068 CA GLY A 68 -5.743 14.815 -2.492 1.00 45.33 C ATOM 1069 C GLY A 68 -4.680 14.885 -1.398 1.00 61.34 C ATOM 1070 O GLY A 68 -3.490 14.694 -1.659 1.00 54.22 O ATOM 0 H GLY A 68 -5.796 13.377 -4.020 1.00 51.01 H new ATOM 0 HA2 GLY A 68 -5.453 15.473 -3.311 1.00 45.33 H new ATOM 0 HA3 GLY A 68 -6.685 15.195 -2.096 1.00 45.33 H new ATOM 1074 N ARG A 69 -5.116 15.159 -0.169 1.00 23.33 N ATOM 1075 CA ARG A 69 -4.212 15.259 0.981 1.00 52.14 C ATOM 1076 C ARG A 69 -3.392 13.975 1.175 1.00 11.20 C ATOM 1077 O ARG A 69 -2.161 13.990 1.108 1.00 2.52 O ATOM 1078 CB ARG A 69 -5.017 15.527 2.258 1.00 2.34 C ATOM 1079 CG ARG A 69 -5.727 16.877 2.300 1.00 44.14 C ATOM 1080 CD ARG A 69 -6.616 16.988 3.537 1.00 30.23 C ATOM 1081 NE ARG A 69 -7.064 18.355 3.789 1.00 64.23 N ATOM 1082 CZ ARG A 69 -8.142 18.658 4.463 1.00 11.23 C ATOM 1083 NH1 ARG A 69 -8.935 17.728 4.893 1.00 40.40 N ATOM 1084 NH2 ARG A 69 -8.429 19.893 4.701 1.00 50.32 N ATOM 0 H ARG A 69 -6.098 15.317 0.059 1.00 23.33 H new ATOM 0 HA ARG A 69 -3.526 16.083 0.784 1.00 52.14 H new ATOM 0 HB2 ARG A 69 -5.761 14.738 2.373 1.00 2.34 H new ATOM 0 HB3 ARG A 69 -4.346 15.460 3.114 1.00 2.34 H new ATOM 0 HG2 ARG A 69 -4.990 17.680 2.304 1.00 44.14 H new ATOM 0 HG3 ARG A 69 -6.331 17.003 1.401 1.00 44.14 H new ATOM 0 HD2 ARG A 69 -7.485 16.342 3.414 1.00 30.23 H new ATOM 0 HD3 ARG A 69 -6.069 16.623 4.406 1.00 30.23 H new ATOM 0 HE ARG A 69 -6.501 19.120 3.416 1.00 64.23 H new ATOM 0 HH11 ARG A 69 -8.721 16.748 4.706 1.00 40.40 H new ATOM 0 HH12 ARG A 69 -9.774 17.975 5.418 1.00 40.40 H new ATOM 0 HH21 ARG A 69 -7.814 20.634 4.363 1.00 50.32 H new ATOM 0 HH22 ARG A 69 -9.270 20.129 5.227 1.00 50.32 H new ATOM 1098 N ASP A 70 -4.095 12.866 1.408 1.00 52.43 N ATOM 1099 CA ASP A 70 -3.456 11.583 1.721 1.00 24.10 C ATOM 1100 C ASP A 70 -2.551 11.102 0.576 1.00 1.31 C ATOM 1101 O ASP A 70 -1.551 10.422 0.806 1.00 23.12 O ATOM 1102 CB ASP A 70 -4.524 10.532 2.020 1.00 53.32 C ATOM 1103 CG ASP A 70 -5.515 10.995 3.070 1.00 2.41 C ATOM 1104 OD1 ASP A 70 -5.179 10.967 4.271 1.00 52.52 O ATOM 1105 OD2 ASP A 70 -6.639 11.395 2.696 1.00 30.14 O ATOM 0 H ASP A 70 -5.114 12.829 1.386 1.00 52.43 H new ATOM 0 HA ASP A 70 -2.828 11.729 2.600 1.00 24.10 H new ATOM 0 HB2 ASP A 70 -5.059 10.290 1.101 1.00 53.32 H new ATOM 0 HB3 ASP A 70 -4.042 9.615 2.359 1.00 53.32 H new ATOM 1110 N LEU A 71 -2.914 11.457 -0.656 1.00 15.22 N ATOM 1111 CA LEU A 71 -2.098 11.133 -1.831 1.00 22.11 C ATOM 1112 C LEU A 71 -0.696 11.744 -1.689 1.00 74.33 C ATOM 1113 O LEU A 71 0.320 11.055 -1.824 1.00 3.44 O ATOM 1114 CB LEU A 71 -2.798 11.650 -3.104 1.00 54.23 C ATOM 1115 CG LEU A 71 -2.204 11.199 -4.460 1.00 20.21 C ATOM 1116 CD1 LEU A 71 -3.226 11.393 -5.576 1.00 31.42 C ATOM 1117 CD2 LEU A 71 -0.915 11.957 -4.798 1.00 20.15 C ATOM 0 H LEU A 71 -3.769 11.970 -0.869 1.00 15.22 H new ATOM 0 HA LEU A 71 -1.987 10.051 -1.908 1.00 22.11 H new ATOM 0 HB2 LEU A 71 -3.841 11.336 -3.069 1.00 54.23 H new ATOM 0 HB3 LEU A 71 -2.792 12.740 -3.076 1.00 54.23 H new ATOM 0 HG LEU A 71 -1.957 10.141 -4.372 1.00 20.21 H new ATOM 0 HD11 LEU A 71 -2.795 11.072 -6.524 1.00 31.42 H new ATOM 0 HD12 LEU A 71 -4.115 10.800 -5.362 1.00 31.42 H new ATOM 0 HD13 LEU A 71 -3.499 12.446 -5.640 1.00 31.42 H new ATOM 0 HD21 LEU A 71 -0.530 11.611 -5.757 1.00 20.15 H new ATOM 0 HD22 LEU A 71 -1.125 13.025 -4.855 1.00 20.15 H new ATOM 0 HD23 LEU A 71 -0.172 11.775 -4.022 1.00 20.15 H new ATOM 1129 N ASP A 72 -0.649 13.043 -1.403 1.00 52.52 N ATOM 1130 CA ASP A 72 0.621 13.747 -1.226 1.00 12.00 C ATOM 1131 C ASP A 72 1.365 13.237 0.024 1.00 23.44 C ATOM 1132 O ASP A 72 2.586 13.075 0.008 1.00 51.20 O ATOM 1133 CB ASP A 72 0.379 15.257 -1.127 1.00 24.11 C ATOM 1134 CG ASP A 72 1.661 16.050 -1.297 1.00 22.30 C ATOM 1135 OD1 ASP A 72 2.356 16.298 -0.293 1.00 12.42 O ATOM 1136 OD2 ASP A 72 1.985 16.425 -2.442 1.00 12.41 O ATOM 0 H ASP A 72 -1.475 13.630 -1.289 1.00 52.52 H new ATOM 0 HA ASP A 72 1.247 13.547 -2.096 1.00 12.00 H new ATOM 0 HB2 ASP A 72 -0.339 15.560 -1.889 1.00 24.11 H new ATOM 0 HB3 ASP A 72 -0.066 15.490 -0.160 1.00 24.11 H new ATOM 1141 N ARG A 73 0.614 12.976 1.097 1.00 32.15 N ATOM 1142 CA ARG A 73 1.193 12.454 2.343 1.00 32.54 C ATOM 1143 C ARG A 73 1.903 11.114 2.109 1.00 40.45 C ATOM 1144 O ARG A 73 3.057 10.933 2.510 1.00 4.54 O ATOM 1145 CB ARG A 73 0.107 12.291 3.418 1.00 5.40 C ATOM 1146 CG ARG A 73 -0.569 13.599 3.823 1.00 3.33 C ATOM 1147 CD ARG A 73 0.448 14.676 4.187 1.00 60.24 C ATOM 1148 NE ARG A 73 1.417 14.207 5.170 1.00 31.21 N ATOM 1149 CZ ARG A 73 2.583 14.752 5.370 1.00 54.41 C ATOM 1150 NH1 ARG A 73 2.974 15.762 4.660 1.00 22.43 N ATOM 1151 NH2 ARG A 73 3.367 14.265 6.270 1.00 72.10 N ATOM 0 H ARG A 73 -0.396 13.117 1.131 1.00 32.15 H new ATOM 0 HA ARG A 73 1.931 13.176 2.691 1.00 32.54 H new ATOM 0 HB2 ARG A 73 -0.652 11.600 3.051 1.00 5.40 H new ATOM 0 HB3 ARG A 73 0.552 11.835 4.303 1.00 5.40 H new ATOM 0 HG2 ARG A 73 -1.195 13.953 3.004 1.00 3.33 H new ATOM 0 HG3 ARG A 73 -1.227 13.419 4.673 1.00 3.33 H new ATOM 0 HD2 ARG A 73 0.972 14.998 3.287 1.00 60.24 H new ATOM 0 HD3 ARG A 73 -0.074 15.548 4.581 1.00 60.24 H new ATOM 0 HE ARG A 73 1.165 13.399 5.739 1.00 31.21 H new ATOM 0 HH11 ARG A 73 2.366 16.140 3.933 1.00 22.43 H new ATOM 0 HH12 ARG A 73 3.890 16.179 4.827 1.00 22.43 H new ATOM 0 HH21 ARG A 73 3.073 13.458 6.820 1.00 72.10 H new ATOM 0 HH22 ARG A 73 4.282 14.687 6.432 1.00 72.10 H new ATOM 1165 N GLN A 74 1.213 10.177 1.454 1.00 4.42 N ATOM 1166 CA GLN A 74 1.820 8.892 1.096 1.00 52.24 C ATOM 1167 C GLN A 74 3.066 9.117 0.234 1.00 50.22 C ATOM 1168 O GLN A 74 4.127 8.552 0.497 1.00 44.43 O ATOM 1169 CB GLN A 74 0.821 7.995 0.348 1.00 51.35 C ATOM 1170 CG GLN A 74 1.390 6.624 -0.013 1.00 70.32 C ATOM 1171 CD GLN A 74 0.412 5.744 -0.772 1.00 15.31 C ATOM 1172 OE1 GLN A 74 0.372 5.750 -1.993 1.00 74.43 O ATOM 1173 NE2 GLN A 74 -0.390 4.985 -0.054 1.00 73.14 N ATOM 0 H GLN A 74 0.241 10.282 1.163 1.00 4.42 H new ATOM 0 HA GLN A 74 2.107 8.388 2.019 1.00 52.24 H new ATOM 0 HB2 GLN A 74 -0.068 7.861 0.965 1.00 51.35 H new ATOM 0 HB3 GLN A 74 0.503 8.500 -0.564 1.00 51.35 H new ATOM 0 HG2 GLN A 74 2.288 6.759 -0.616 1.00 70.32 H new ATOM 0 HG3 GLN A 74 1.693 6.113 0.901 1.00 70.32 H new ATOM 0 HE21 GLN A 74 -0.332 5.002 0.964 1.00 73.14 H new ATOM 0 HE22 GLN A 74 -1.069 4.380 -0.516 1.00 73.14 H new ATOM 1182 N LYS A 75 2.929 9.969 -0.782 1.00 52.31 N ATOM 1183 CA LYS A 75 4.050 10.320 -1.660 1.00 34.50 C ATOM 1184 C LYS A 75 5.284 10.755 -0.858 1.00 5.33 C ATOM 1185 O LYS A 75 6.388 10.297 -1.123 1.00 71.22 O ATOM 1186 CB LYS A 75 3.643 11.427 -2.643 1.00 21.21 C ATOM 1187 CG LYS A 75 4.812 11.992 -3.452 1.00 23.21 C ATOM 1188 CD LYS A 75 4.344 12.918 -4.570 1.00 30.33 C ATOM 1189 CE LYS A 75 3.528 14.090 -4.041 1.00 72.01 C ATOM 1190 NZ LYS A 75 4.344 15.024 -3.214 1.00 72.21 N ATOM 0 H LYS A 75 2.051 10.431 -1.019 1.00 52.31 H new ATOM 0 HA LYS A 75 4.314 9.425 -2.223 1.00 34.50 H new ATOM 0 HB2 LYS A 75 2.894 11.033 -3.330 1.00 21.21 H new ATOM 0 HB3 LYS A 75 3.171 12.238 -2.088 1.00 21.21 H new ATOM 0 HG2 LYS A 75 5.482 12.537 -2.787 1.00 23.21 H new ATOM 0 HG3 LYS A 75 5.387 11.170 -3.880 1.00 23.21 H new ATOM 0 HD2 LYS A 75 5.210 13.296 -5.113 1.00 30.33 H new ATOM 0 HD3 LYS A 75 3.744 12.351 -5.282 1.00 30.33 H new ATOM 0 HE2 LYS A 75 3.095 14.635 -4.880 1.00 72.01 H new ATOM 0 HE3 LYS A 75 2.698 13.711 -3.444 1.00 72.01 H new ATOM 0 HZ1 LYS A 75 3.734 15.776 -2.836 1.00 72.21 H new ATOM 0 HZ2 LYS A 75 4.778 14.502 -2.427 1.00 72.21 H new ATOM 0 HZ3 LYS A 75 5.090 15.447 -3.802 1.00 72.21 H new ATOM 1204 N GLN A 76 5.094 11.628 0.128 1.00 11.00 N ATOM 1205 CA GLN A 76 6.207 12.087 0.972 1.00 22.12 C ATOM 1206 C GLN A 76 6.850 10.919 1.741 1.00 2.41 C ATOM 1207 O GLN A 76 8.074 10.834 1.858 1.00 25.04 O ATOM 1208 CB GLN A 76 5.725 13.163 1.957 1.00 45.04 C ATOM 1209 CG GLN A 76 5.202 14.436 1.294 1.00 74.32 C ATOM 1210 CD GLN A 76 6.262 15.197 0.506 1.00 3.20 C ATOM 1211 OE1 GLN A 76 7.198 14.622 -0.040 1.00 53.12 O ATOM 1212 NE2 GLN A 76 6.118 16.501 0.432 1.00 1.25 N ATOM 0 H GLN A 76 4.188 12.033 0.366 1.00 11.00 H new ATOM 0 HA GLN A 76 6.964 12.516 0.315 1.00 22.12 H new ATOM 0 HB2 GLN A 76 4.936 12.741 2.579 1.00 45.04 H new ATOM 0 HB3 GLN A 76 6.549 13.426 2.621 1.00 45.04 H new ATOM 0 HG2 GLN A 76 4.382 14.176 0.625 1.00 74.32 H new ATOM 0 HG3 GLN A 76 4.792 15.092 2.061 1.00 74.32 H new ATOM 0 HE21 GLN A 76 5.330 16.954 0.895 1.00 1.25 H new ATOM 0 HE22 GLN A 76 6.794 17.060 -0.089 1.00 1.25 H new ATOM 1221 N LYS A 77 6.016 10.013 2.249 1.00 53.25 N ATOM 1222 CA LYS A 77 6.500 8.843 2.992 1.00 5.23 C ATOM 1223 C LYS A 77 7.116 7.782 2.064 1.00 62.11 C ATOM 1224 O LYS A 77 7.761 6.842 2.530 1.00 2.42 O ATOM 1225 CB LYS A 77 5.365 8.240 3.831 1.00 41.45 C ATOM 1226 CG LYS A 77 4.919 9.144 4.975 1.00 21.13 C ATOM 1227 CD LYS A 77 6.063 9.415 5.949 1.00 64.22 C ATOM 1228 CE LYS A 77 5.689 10.460 6.992 1.00 4.41 C ATOM 1229 NZ LYS A 77 5.332 11.765 6.373 1.00 12.21 N ATOM 0 H LYS A 77 5.001 10.064 2.161 1.00 53.25 H new ATOM 0 HA LYS A 77 7.293 9.182 3.659 1.00 5.23 H new ATOM 0 HB2 LYS A 77 4.512 8.036 3.184 1.00 41.45 H new ATOM 0 HB3 LYS A 77 5.692 7.283 4.239 1.00 41.45 H new ATOM 0 HG2 LYS A 77 4.550 10.088 4.573 1.00 21.13 H new ATOM 0 HG3 LYS A 77 4.089 8.678 5.507 1.00 21.13 H new ATOM 0 HD2 LYS A 77 6.341 8.487 6.449 1.00 64.22 H new ATOM 0 HD3 LYS A 77 6.939 9.753 5.395 1.00 64.22 H new ATOM 0 HE2 LYS A 77 4.848 10.097 7.583 1.00 4.41 H new ATOM 0 HE3 LYS A 77 6.524 10.601 7.679 1.00 4.41 H new ATOM 0 HZ1 LYS A 77 5.637 12.540 6.996 1.00 12.21 H new ATOM 0 HZ2 LYS A 77 5.807 11.854 5.452 1.00 12.21 H new ATOM 0 HZ3 LYS A 77 4.302 11.815 6.237 1.00 12.21 H new ATOM 1243 N LEU A 78 6.888 7.922 0.759 1.00 51.44 N ATOM 1244 CA LEU A 78 7.552 7.087 -0.253 1.00 23.51 C ATOM 1245 C LEU A 78 8.853 7.752 -0.736 1.00 22.12 C ATOM 1246 O LEU A 78 9.871 7.092 -0.958 1.00 43.11 O ATOM 1247 CB LEU A 78 6.615 6.860 -1.447 1.00 0.25 C ATOM 1248 CG LEU A 78 5.286 6.163 -1.119 1.00 71.13 C ATOM 1249 CD1 LEU A 78 4.381 6.129 -2.344 1.00 42.13 C ATOM 1250 CD2 LEU A 78 5.529 4.752 -0.587 1.00 24.32 C ATOM 0 H LEU A 78 6.244 8.611 0.371 1.00 51.44 H new ATOM 0 HA LEU A 78 7.796 6.127 0.202 1.00 23.51 H new ATOM 0 HB2 LEU A 78 6.396 7.825 -1.904 1.00 0.25 H new ATOM 0 HB3 LEU A 78 7.143 6.266 -2.193 1.00 0.25 H new ATOM 0 HG LEU A 78 4.785 6.737 -0.339 1.00 71.13 H new ATOM 0 HD11 LEU A 78 3.445 5.631 -2.091 1.00 42.13 H new ATOM 0 HD12 LEU A 78 4.173 7.148 -2.671 1.00 42.13 H new ATOM 0 HD13 LEU A 78 4.876 5.584 -3.147 1.00 42.13 H new ATOM 0 HD21 LEU A 78 4.573 4.278 -0.362 1.00 24.32 H new ATOM 0 HD22 LEU A 78 6.056 4.165 -1.339 1.00 24.32 H new ATOM 0 HD23 LEU A 78 6.131 4.804 0.320 1.00 24.32 H new ATOM 1262 N GLU A 79 8.798 9.072 -0.896 1.00 71.13 N ATOM 1263 CA GLU A 79 9.959 9.873 -1.297 1.00 21.54 C ATOM 1264 C GLU A 79 11.076 9.795 -0.248 1.00 3.55 C ATOM 1265 O GLU A 79 12.244 10.039 -0.551 1.00 61.13 O ATOM 1266 CB GLU A 79 9.534 11.336 -1.518 1.00 31.53 C ATOM 1267 CG GLU A 79 8.648 11.549 -2.750 1.00 30.13 C ATOM 1268 CD GLU A 79 9.440 11.712 -4.041 1.00 73.14 C ATOM 1269 OE1 GLU A 79 10.292 10.852 -4.339 1.00 64.34 O ATOM 1270 OE2 GLU A 79 9.219 12.710 -4.760 1.00 14.12 O ATOM 0 H GLU A 79 7.949 9.619 -0.752 1.00 71.13 H new ATOM 0 HA GLU A 79 10.349 9.468 -2.231 1.00 21.54 H new ATOM 0 HB2 GLU A 79 9.000 11.686 -0.634 1.00 31.53 H new ATOM 0 HB3 GLU A 79 10.428 11.952 -1.615 1.00 31.53 H new ATOM 0 HG2 GLU A 79 7.970 10.702 -2.852 1.00 30.13 H new ATOM 0 HG3 GLU A 79 8.031 12.434 -2.596 1.00 30.13 H new ATOM 1277 N ALA A 80 10.705 9.460 0.988 1.00 2.02 N ATOM 1278 CA ALA A 80 11.679 9.222 2.058 1.00 71.52 C ATOM 1279 C ALA A 80 12.706 8.149 1.656 1.00 20.41 C ATOM 1280 O ALA A 80 13.902 8.282 1.933 1.00 61.02 O ATOM 1281 CB ALA A 80 10.958 8.816 3.340 1.00 61.34 C ATOM 0 H ALA A 80 9.733 9.347 1.276 1.00 2.02 H new ATOM 0 HA ALA A 80 12.223 10.150 2.233 1.00 71.52 H new ATOM 0 HB1 ALA A 80 11.689 8.641 4.129 1.00 61.34 H new ATOM 0 HB2 ALA A 80 10.280 9.613 3.644 1.00 61.34 H new ATOM 0 HB3 ALA A 80 10.389 7.903 3.164 1.00 61.34 H new ATOM 1287 N GLU A 81 12.228 7.082 1.008 1.00 61.13 N ATOM 1288 CA GLU A 81 13.107 6.027 0.482 1.00 14.33 C ATOM 1289 C GLU A 81 13.535 6.321 -0.965 1.00 62.13 C ATOM 1290 O GLU A 81 14.587 5.861 -1.423 1.00 34.03 O ATOM 1291 CB GLU A 81 12.404 4.660 0.525 1.00 14.10 C ATOM 1292 CG GLU A 81 12.063 4.159 1.927 1.00 42.23 C ATOM 1293 CD GLU A 81 10.957 4.951 2.603 1.00 14.44 C ATOM 1294 OE1 GLU A 81 9.946 5.251 1.940 1.00 5.11 O ATOM 1295 OE2 GLU A 81 11.083 5.258 3.808 1.00 63.10 O ATOM 0 H GLU A 81 11.236 6.924 0.834 1.00 61.13 H new ATOM 0 HA GLU A 81 13.993 6.004 1.116 1.00 14.33 H new ATOM 0 HB2 GLU A 81 11.485 4.722 -0.057 1.00 14.10 H new ATOM 0 HB3 GLU A 81 13.042 3.924 0.036 1.00 14.10 H new ATOM 0 HG2 GLU A 81 11.765 3.112 1.867 1.00 42.23 H new ATOM 0 HG3 GLU A 81 12.959 4.200 2.546 1.00 42.23 H new ATOM 1302 N GLY A 82 12.706 7.076 -1.681 1.00 1.51 N ATOM 1303 CA GLY A 82 12.973 7.388 -3.084 1.00 5.12 C ATOM 1304 C GLY A 82 12.153 6.524 -4.039 1.00 62.13 C ATOM 1305 O GLY A 82 12.700 5.690 -4.765 1.00 41.43 O ATOM 0 H GLY A 82 11.845 7.483 -1.315 1.00 1.51 H new ATOM 0 HA2 GLY A 82 12.751 8.439 -3.268 1.00 5.12 H new ATOM 0 HA3 GLY A 82 14.034 7.245 -3.290 1.00 5.12 H new ATOM 1309 N ILE A 83 10.836 6.710 -4.024 1.00 74.25 N ATOM 1310 CA ILE A 83 9.925 5.948 -4.890 1.00 41.30 C ATOM 1311 C ILE A 83 9.198 6.884 -5.871 1.00 52.24 C ATOM 1312 O ILE A 83 8.945 8.045 -5.554 1.00 61.10 O ATOM 1313 CB ILE A 83 8.887 5.164 -4.044 1.00 33.13 C ATOM 1314 CG1 ILE A 83 9.606 4.247 -3.033 1.00 64.02 C ATOM 1315 CG2 ILE A 83 7.949 4.350 -4.940 1.00 41.32 C ATOM 1316 CD1 ILE A 83 8.673 3.510 -2.095 1.00 11.33 C ATOM 0 H ILE A 83 10.368 7.385 -3.419 1.00 74.25 H new ATOM 0 HA ILE A 83 10.523 5.236 -5.459 1.00 41.30 H new ATOM 0 HB ILE A 83 8.281 5.884 -3.493 1.00 33.13 H new ATOM 0 HG12 ILE A 83 10.203 3.518 -3.581 1.00 64.02 H new ATOM 0 HG13 ILE A 83 10.298 4.847 -2.442 1.00 64.02 H new ATOM 0 HG21 ILE A 83 7.232 3.811 -4.321 1.00 41.32 H new ATOM 0 HG22 ILE A 83 7.415 5.021 -5.613 1.00 41.32 H new ATOM 0 HG23 ILE A 83 8.531 3.638 -5.525 1.00 41.32 H new ATOM 0 HD11 ILE A 83 9.256 2.887 -1.417 1.00 11.33 H new ATOM 0 HD12 ILE A 83 8.093 4.231 -1.518 1.00 11.33 H new ATOM 0 HD13 ILE A 83 7.997 2.881 -2.674 1.00 11.33 H new ATOM 1328 N GLU A 84 8.875 6.383 -7.061 1.00 73.12 N ATOM 1329 CA GLU A 84 8.250 7.212 -8.103 1.00 73.23 C ATOM 1330 C GLU A 84 6.735 7.388 -7.893 1.00 43.24 C ATOM 1331 O GLU A 84 5.967 6.429 -7.992 1.00 23.52 O ATOM 1332 CB GLU A 84 8.502 6.597 -9.487 1.00 44.04 C ATOM 1333 CG GLU A 84 7.865 7.379 -10.635 1.00 4.23 C ATOM 1334 CD GLU A 84 8.516 8.737 -10.867 1.00 34.13 C ATOM 1335 OE1 GLU A 84 8.157 9.712 -10.170 1.00 62.05 O ATOM 1336 OE2 GLU A 84 9.383 8.835 -11.761 1.00 71.21 O ATOM 0 H GLU A 84 9.032 5.412 -7.332 1.00 73.12 H new ATOM 0 HA GLU A 84 8.709 8.199 -8.037 1.00 73.23 H new ATOM 0 HB2 GLU A 84 9.577 6.533 -9.656 1.00 44.04 H new ATOM 0 HB3 GLU A 84 8.117 5.577 -9.497 1.00 44.04 H new ATOM 0 HG2 GLU A 84 7.932 6.790 -11.549 1.00 4.23 H new ATOM 0 HG3 GLU A 84 6.805 7.522 -10.425 1.00 4.23 H new ATOM 1343 N VAL A 85 6.314 8.622 -7.619 1.00 1.41 N ATOM 1344 CA VAL A 85 4.890 8.973 -7.552 1.00 2.14 C ATOM 1345 C VAL A 85 4.551 10.033 -8.614 1.00 63.34 C ATOM 1346 O VAL A 85 4.822 11.223 -8.428 1.00 44.23 O ATOM 1347 CB VAL A 85 4.488 9.508 -6.151 1.00 0.12 C ATOM 1348 CG1 VAL A 85 2.975 9.724 -6.069 1.00 55.44 C ATOM 1349 CG2 VAL A 85 4.965 8.559 -5.051 1.00 40.44 C ATOM 0 H VAL A 85 6.943 9.404 -7.438 1.00 1.41 H new ATOM 0 HA VAL A 85 4.326 8.060 -7.743 1.00 2.14 H new ATOM 0 HB VAL A 85 4.976 10.471 -6.000 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.714 10.099 -5.079 1.00 55.44 H new ATOM 0 HG12 VAL A 85 2.669 10.449 -6.824 1.00 55.44 H new ATOM 0 HG13 VAL A 85 2.462 8.778 -6.245 1.00 55.44 H new ATOM 0 HG21 VAL A 85 4.672 8.954 -4.078 1.00 40.44 H new ATOM 0 HG22 VAL A 85 4.513 7.578 -5.196 1.00 40.44 H new ATOM 0 HG23 VAL A 85 6.050 8.468 -5.094 1.00 40.44 H new ATOM 1359 N SER A 86 3.968 9.603 -9.732 1.00 1.13 N ATOM 1360 CA SER A 86 3.682 10.516 -10.849 1.00 11.14 C ATOM 1361 C SER A 86 2.459 11.398 -10.562 1.00 73.21 C ATOM 1362 O SER A 86 1.694 11.126 -9.635 1.00 31.34 O ATOM 1363 CB SER A 86 3.470 9.747 -12.160 1.00 4.12 C ATOM 1364 OG SER A 86 2.226 9.070 -12.173 1.00 72.41 O ATOM 0 H SER A 86 3.684 8.636 -9.893 1.00 1.13 H new ATOM 0 HA SER A 86 4.554 11.161 -10.958 1.00 11.14 H new ATOM 0 HB2 SER A 86 3.516 10.440 -13.000 1.00 4.12 H new ATOM 0 HB3 SER A 86 4.278 9.028 -12.295 1.00 4.12 H new ATOM 0 HG SER A 86 1.557 9.624 -12.626 1.00 72.41 H new ATOM 1370 N GLU A 87 2.268 12.406 -11.421 1.00 1.23 N ATOM 1371 CA GLU A 87 1.313 13.516 -11.208 1.00 72.13 C ATOM 1372 C GLU A 87 -0.053 13.100 -10.608 1.00 65.32 C ATOM 1373 O GLU A 87 -0.503 13.690 -9.627 1.00 14.21 O ATOM 1374 CB GLU A 87 1.102 14.285 -12.531 1.00 75.41 C ATOM 1375 CG GLU A 87 0.393 13.500 -13.641 1.00 11.42 C ATOM 1376 CD GLU A 87 1.109 12.215 -14.041 1.00 21.42 C ATOM 1377 OE1 GLU A 87 2.101 12.287 -14.795 1.00 72.03 O ATOM 1378 OE2 GLU A 87 0.683 11.125 -13.601 1.00 4.32 O ATOM 0 H GLU A 87 2.778 12.481 -12.301 1.00 1.23 H new ATOM 0 HA GLU A 87 1.772 14.156 -10.454 1.00 72.13 H new ATOM 0 HB2 GLU A 87 0.525 15.185 -12.320 1.00 75.41 H new ATOM 0 HB3 GLU A 87 2.074 14.609 -12.902 1.00 75.41 H new ATOM 0 HG2 GLU A 87 -0.617 13.255 -13.311 1.00 11.42 H new ATOM 0 HG3 GLU A 87 0.295 14.139 -14.519 1.00 11.42 H new ATOM 1385 N ILE A 88 -0.706 12.093 -11.185 1.00 31.50 N ATOM 1386 CA ILE A 88 -2.046 11.678 -10.726 1.00 41.34 C ATOM 1387 C ILE A 88 -1.979 10.730 -9.517 1.00 62.25 C ATOM 1388 O ILE A 88 -2.977 10.102 -9.154 1.00 0.54 O ATOM 1389 CB ILE A 88 -2.847 10.987 -11.862 1.00 5.20 C ATOM 1390 CG1 ILE A 88 -2.112 9.728 -12.360 1.00 23.01 C ATOM 1391 CG2 ILE A 88 -3.093 11.964 -13.012 1.00 33.01 C ATOM 1392 CD1 ILE A 88 -2.850 8.977 -13.450 1.00 52.12 C ATOM 0 H ILE A 88 -0.339 11.548 -11.966 1.00 31.50 H new ATOM 0 HA ILE A 88 -2.556 12.593 -10.425 1.00 41.34 H new ATOM 0 HB ILE A 88 -3.813 10.677 -11.463 1.00 5.20 H new ATOM 0 HG12 ILE A 88 -1.129 10.017 -12.733 1.00 23.01 H new ATOM 0 HG13 ILE A 88 -1.949 9.057 -11.517 1.00 23.01 H new ATOM 0 HG21 ILE A 88 -3.656 11.464 -13.800 1.00 33.01 H new ATOM 0 HG22 ILE A 88 -3.661 12.820 -12.647 1.00 33.01 H new ATOM 0 HG23 ILE A 88 -2.137 12.306 -13.410 1.00 33.01 H new ATOM 0 HD11 ILE A 88 -2.269 8.104 -13.748 1.00 52.12 H new ATOM 0 HD12 ILE A 88 -3.822 8.656 -13.076 1.00 52.12 H new ATOM 0 HD13 ILE A 88 -2.990 9.630 -14.311 1.00 52.12 H new ATOM 1404 N GLY A 89 -0.816 10.657 -8.879 1.00 1.43 N ATOM 1405 CA GLY A 89 -0.612 9.709 -7.791 1.00 34.55 C ATOM 1406 C GLY A 89 -0.458 8.282 -8.295 1.00 60.41 C ATOM 1407 O GLY A 89 -1.193 7.386 -7.882 1.00 24.33 O ATOM 0 H GLY A 89 -0.006 11.238 -9.094 1.00 1.43 H new ATOM 0 HA2 GLY A 89 0.277 9.991 -7.227 1.00 34.55 H new ATOM 0 HA3 GLY A 89 -1.456 9.761 -7.103 1.00 34.55 H new ATOM 1411 N LYS A 90 0.490 8.073 -9.207 1.00 53.42 N ATOM 1412 CA LYS A 90 0.709 6.743 -9.801 1.00 13.23 C ATOM 1413 C LYS A 90 2.137 6.223 -9.554 1.00 25.21 C ATOM 1414 O LYS A 90 3.124 6.907 -9.841 1.00 64.42 O ATOM 1415 CB LYS A 90 0.407 6.784 -11.308 1.00 31.21 C ATOM 1416 CG LYS A 90 0.760 5.497 -12.057 1.00 41.45 C ATOM 1417 CD LYS A 90 0.340 5.557 -13.526 1.00 62.21 C ATOM 1418 CE LYS A 90 0.921 6.773 -14.239 1.00 64.10 C ATOM 1419 NZ LYS A 90 2.407 6.787 -14.220 1.00 71.44 N ATOM 0 H LYS A 90 1.118 8.798 -9.553 1.00 53.42 H new ATOM 0 HA LYS A 90 0.026 6.049 -9.312 1.00 13.23 H new ATOM 0 HB2 LYS A 90 -0.654 6.993 -11.448 1.00 31.21 H new ATOM 0 HB3 LYS A 90 0.957 7.613 -11.754 1.00 31.21 H new ATOM 0 HG2 LYS A 90 1.834 5.323 -11.994 1.00 41.45 H new ATOM 0 HG3 LYS A 90 0.271 4.651 -11.574 1.00 41.45 H new ATOM 0 HD2 LYS A 90 0.667 4.649 -14.033 1.00 62.21 H new ATOM 0 HD3 LYS A 90 -0.748 5.585 -13.591 1.00 62.21 H new ATOM 0 HE2 LYS A 90 0.574 6.785 -15.272 1.00 64.10 H new ATOM 0 HE3 LYS A 90 0.546 7.681 -13.766 1.00 64.10 H new ATOM 0 HZ1 LYS A 90 2.765 6.981 -15.177 1.00 71.44 H new ATOM 0 HZ2 LYS A 90 2.739 7.527 -13.569 1.00 71.44 H new ATOM 0 HZ3 LYS A 90 2.759 5.862 -13.900 1.00 71.44 H new ATOM 1433 N ILE A 91 2.232 4.999 -9.038 1.00 74.12 N ATOM 1434 CA ILE A 91 3.521 4.363 -8.736 1.00 25.34 C ATOM 1435 C ILE A 91 3.846 3.244 -9.743 1.00 25.30 C ATOM 1436 O ILE A 91 2.967 2.472 -10.133 1.00 14.14 O ATOM 1437 CB ILE A 91 3.515 3.755 -7.309 1.00 74.11 C ATOM 1438 CG1 ILE A 91 3.092 4.810 -6.271 1.00 43.32 C ATOM 1439 CG2 ILE A 91 4.890 3.177 -6.955 1.00 5.31 C ATOM 1440 CD1 ILE A 91 2.914 4.254 -4.872 1.00 61.23 C ATOM 0 H ILE A 91 1.423 4.419 -8.817 1.00 74.12 H new ATOM 0 HA ILE A 91 4.282 5.141 -8.805 1.00 25.34 H new ATOM 0 HB ILE A 91 2.789 2.942 -7.292 1.00 74.11 H new ATOM 0 HG12 ILE A 91 3.841 5.601 -6.245 1.00 43.32 H new ATOM 0 HG13 ILE A 91 2.156 5.267 -6.592 1.00 43.32 H new ATOM 0 HG21 ILE A 91 4.860 2.757 -5.950 1.00 5.31 H new ATOM 0 HG22 ILE A 91 5.150 2.395 -7.668 1.00 5.31 H new ATOM 0 HG23 ILE A 91 5.639 3.968 -6.995 1.00 5.31 H new ATOM 0 HD11 ILE A 91 2.616 5.056 -4.197 1.00 61.23 H new ATOM 0 HD12 ILE A 91 2.143 3.483 -4.882 1.00 61.23 H new ATOM 0 HD13 ILE A 91 3.855 3.822 -4.530 1.00 61.23 H new ATOM 1452 N ALA A 92 5.109 3.155 -10.156 1.00 31.42 N ATOM 1453 CA ALA A 92 5.545 2.095 -11.073 1.00 71.44 C ATOM 1454 C ALA A 92 5.646 0.743 -10.344 1.00 30.22 C ATOM 1455 O ALA A 92 6.680 0.410 -9.755 1.00 71.25 O ATOM 1456 CB ALA A 92 6.879 2.468 -11.715 1.00 24.42 C ATOM 0 H ALA A 92 5.848 3.799 -9.874 1.00 31.42 H new ATOM 0 HA ALA A 92 4.799 1.993 -11.861 1.00 71.44 H new ATOM 0 HB1 ALA A 92 7.191 1.674 -12.393 1.00 24.42 H new ATOM 0 HB2 ALA A 92 6.767 3.398 -12.273 1.00 24.42 H new ATOM 0 HB3 ALA A 92 7.632 2.599 -10.938 1.00 24.42 H new ATOM 1462 N LEU A 93 4.559 -0.029 -10.383 1.00 52.54 N ATOM 1463 CA LEU A 93 4.486 -1.311 -9.668 1.00 74.13 C ATOM 1464 C LEU A 93 5.420 -2.378 -10.253 1.00 72.13 C ATOM 1465 O LEU A 93 6.112 -3.061 -9.510 1.00 41.15 O ATOM 1466 CB LEU A 93 3.045 -1.841 -9.649 1.00 5.22 C ATOM 1467 CG LEU A 93 2.070 -1.060 -8.752 1.00 3.03 C ATOM 1468 CD1 LEU A 93 0.679 -1.688 -8.791 1.00 40.23 C ATOM 1469 CD2 LEU A 93 2.592 -0.998 -7.317 1.00 0.45 C ATOM 0 H LEU A 93 3.714 0.209 -10.902 1.00 52.54 H new ATOM 0 HA LEU A 93 4.819 -1.110 -8.650 1.00 74.13 H new ATOM 0 HB2 LEU A 93 2.659 -1.835 -10.669 1.00 5.22 H new ATOM 0 HB3 LEU A 93 3.062 -2.880 -9.321 1.00 5.22 H new ATOM 0 HG LEU A 93 1.995 -0.042 -9.135 1.00 3.03 H new ATOM 0 HD11 LEU A 93 0.005 -1.120 -8.150 1.00 40.23 H new ATOM 0 HD12 LEU A 93 0.303 -1.676 -9.814 1.00 40.23 H new ATOM 0 HD13 LEU A 93 0.735 -2.718 -8.437 1.00 40.23 H new ATOM 0 HD21 LEU A 93 1.889 -0.441 -6.698 1.00 0.45 H new ATOM 0 HD22 LEU A 93 2.699 -2.009 -6.925 1.00 0.45 H new ATOM 0 HD23 LEU A 93 3.561 -0.499 -7.304 1.00 0.45 H new ATOM 1481 N ARG A 94 5.455 -2.505 -11.576 1.00 20.34 N ATOM 1482 CA ARG A 94 6.224 -3.578 -12.230 1.00 51.13 C ATOM 1483 C ARG A 94 7.672 -3.676 -11.698 1.00 35.22 C ATOM 1484 O ARG A 94 8.254 -4.763 -11.655 1.00 72.22 O ATOM 1485 CB ARG A 94 6.215 -3.369 -13.750 1.00 4.54 C ATOM 1486 CG ARG A 94 6.921 -4.470 -14.540 1.00 43.32 C ATOM 1487 CD ARG A 94 6.300 -5.845 -14.304 1.00 61.01 C ATOM 1488 NE ARG A 94 6.962 -6.881 -15.093 1.00 1.33 N ATOM 1489 CZ ARG A 94 6.820 -8.167 -14.900 1.00 52.13 C ATOM 1490 NH1 ARG A 94 6.043 -8.622 -13.971 1.00 3.25 N ATOM 1491 NH2 ARG A 94 7.452 -9.000 -15.655 1.00 4.12 N ATOM 0 H ARG A 94 4.965 -1.885 -12.221 1.00 20.34 H new ATOM 0 HA ARG A 94 5.741 -4.525 -11.991 1.00 51.13 H new ATOM 0 HB2 ARG A 94 5.181 -3.300 -14.089 1.00 4.54 H new ATOM 0 HB3 ARG A 94 6.689 -2.414 -13.977 1.00 4.54 H new ATOM 0 HG2 ARG A 94 6.880 -4.234 -15.603 1.00 43.32 H new ATOM 0 HG3 ARG A 94 7.974 -4.497 -14.259 1.00 43.32 H new ATOM 0 HD2 ARG A 94 6.365 -6.097 -13.245 1.00 61.01 H new ATOM 0 HD3 ARG A 94 5.241 -5.814 -14.560 1.00 61.01 H new ATOM 0 HE ARG A 94 7.579 -6.580 -15.848 1.00 1.33 H new ATOM 0 HH11 ARG A 94 5.528 -7.975 -13.374 1.00 3.25 H new ATOM 0 HH12 ARG A 94 5.945 -9.628 -13.836 1.00 3.25 H new ATOM 0 HH21 ARG A 94 8.059 -8.655 -16.398 1.00 4.12 H new ATOM 0 HH22 ARG A 94 7.345 -10.004 -15.509 1.00 4.12 H new ATOM 1505 N LYS A 95 8.245 -2.545 -11.287 1.00 23.53 N ATOM 1506 CA LYS A 95 9.591 -2.531 -10.688 1.00 53.02 C ATOM 1507 C LYS A 95 9.546 -2.487 -9.145 1.00 44.23 C ATOM 1508 O LYS A 95 10.300 -3.196 -8.474 1.00 33.02 O ATOM 1509 CB LYS A 95 10.405 -1.343 -11.230 1.00 14.13 C ATOM 1510 CG LYS A 95 9.745 0.019 -11.012 1.00 63.51 C ATOM 1511 CD LYS A 95 10.549 1.160 -11.634 1.00 25.50 C ATOM 1512 CE LYS A 95 11.921 1.308 -10.991 1.00 4.32 C ATOM 1513 NZ LYS A 95 12.667 2.459 -11.554 1.00 14.13 N ATOM 0 H LYS A 95 7.805 -1.627 -11.355 1.00 23.53 H new ATOM 0 HA LYS A 95 10.079 -3.464 -10.971 1.00 53.02 H new ATOM 0 HB2 LYS A 95 11.385 -1.340 -10.753 1.00 14.13 H new ATOM 0 HB3 LYS A 95 10.571 -1.487 -12.298 1.00 14.13 H new ATOM 0 HG2 LYS A 95 8.743 0.007 -11.441 1.00 63.51 H new ATOM 0 HG3 LYS A 95 9.632 0.198 -9.943 1.00 63.51 H new ATOM 0 HD2 LYS A 95 10.667 0.980 -12.703 1.00 25.50 H new ATOM 0 HD3 LYS A 95 9.996 2.093 -11.527 1.00 25.50 H new ATOM 0 HE2 LYS A 95 11.807 1.439 -9.915 1.00 4.32 H new ATOM 0 HE3 LYS A 95 12.494 0.393 -11.142 1.00 4.32 H new ATOM 0 HZ1 LYS A 95 13.597 2.529 -11.093 1.00 14.13 H new ATOM 0 HZ2 LYS A 95 12.797 2.322 -12.577 1.00 14.13 H new ATOM 0 HZ3 LYS A 95 12.131 3.335 -11.388 1.00 14.13 H new ATOM 1527 N TYR A 96 8.657 -1.664 -8.583 1.00 10.32 N ATOM 1528 CA TYR A 96 8.573 -1.488 -7.121 1.00 4.13 C ATOM 1529 C TYR A 96 7.637 -2.507 -6.444 1.00 53.41 C ATOM 1530 O TYR A 96 7.376 -2.403 -5.248 1.00 15.43 O ATOM 1531 CB TYR A 96 8.116 -0.057 -6.776 1.00 1.30 C ATOM 1532 CG TYR A 96 9.201 0.990 -6.937 1.00 61.22 C ATOM 1533 CD1 TYR A 96 10.240 1.075 -6.017 1.00 25.23 C ATOM 1534 CD2 TYR A 96 9.189 1.894 -7.994 1.00 31.14 C ATOM 1535 CE1 TYR A 96 11.236 2.023 -6.148 1.00 21.34 C ATOM 1536 CE2 TYR A 96 10.182 2.845 -8.130 1.00 64.51 C ATOM 1537 CZ TYR A 96 11.202 2.906 -7.204 1.00 65.53 C ATOM 1538 OH TYR A 96 12.198 3.847 -7.339 1.00 54.13 O ATOM 0 H TYR A 96 7.985 -1.108 -9.112 1.00 10.32 H new ATOM 0 HA TYR A 96 9.576 -1.663 -6.733 1.00 4.13 H new ATOM 0 HB2 TYR A 96 7.272 0.208 -7.413 1.00 1.30 H new ATOM 0 HB3 TYR A 96 7.757 -0.039 -5.747 1.00 1.30 H new ATOM 0 HD1 TYR A 96 10.269 0.387 -5.185 1.00 25.23 H new ATOM 0 HD2 TYR A 96 8.391 1.852 -8.720 1.00 31.14 H new ATOM 0 HE1 TYR A 96 12.037 2.071 -5.426 1.00 21.34 H new ATOM 0 HE2 TYR A 96 10.159 3.538 -8.958 1.00 64.51 H new ATOM 0 HH TYR A 96 12.289 4.349 -6.503 1.00 54.13 H new ATOM 1548 N LYS A 97 7.147 -3.490 -7.196 1.00 2.32 N ATOM 1549 CA LYS A 97 6.242 -4.511 -6.644 1.00 74.51 C ATOM 1550 C LYS A 97 6.918 -5.321 -5.522 1.00 13.14 C ATOM 1551 O LYS A 97 8.055 -5.782 -5.665 1.00 24.52 O ATOM 1552 CB LYS A 97 5.756 -5.454 -7.756 1.00 60.13 C ATOM 1553 CG LYS A 97 6.870 -6.256 -8.425 1.00 33.21 C ATOM 1554 CD LYS A 97 6.355 -7.054 -9.619 1.00 53.22 C ATOM 1555 CE LYS A 97 7.424 -7.977 -10.199 1.00 74.34 C ATOM 1556 NZ LYS A 97 8.656 -7.244 -10.596 1.00 71.45 N ATOM 0 H LYS A 97 7.357 -3.606 -8.187 1.00 2.32 H new ATOM 0 HA LYS A 97 5.385 -3.993 -6.214 1.00 74.51 H new ATOM 0 HB2 LYS A 97 5.026 -6.146 -7.337 1.00 60.13 H new ATOM 0 HB3 LYS A 97 5.239 -4.867 -8.515 1.00 60.13 H new ATOM 0 HG2 LYS A 97 7.659 -5.579 -8.753 1.00 33.21 H new ATOM 0 HG3 LYS A 97 7.315 -6.936 -7.698 1.00 33.21 H new ATOM 0 HD2 LYS A 97 5.493 -7.646 -9.313 1.00 53.22 H new ATOM 0 HD3 LYS A 97 6.012 -6.367 -10.392 1.00 53.22 H new ATOM 0 HE2 LYS A 97 7.680 -8.739 -9.463 1.00 74.34 H new ATOM 0 HE3 LYS A 97 7.019 -8.496 -11.067 1.00 74.34 H new ATOM 0 HZ1 LYS A 97 9.092 -7.715 -11.414 1.00 71.45 H new ATOM 0 HZ2 LYS A 97 8.411 -6.266 -10.850 1.00 71.45 H new ATOM 0 HZ3 LYS A 97 9.327 -7.238 -9.802 1.00 71.45 H new ATOM 1570 N TRP A 98 6.218 -5.486 -4.406 1.00 0.14 N ATOM 1571 CA TRP A 98 6.750 -6.237 -3.269 1.00 55.33 C ATOM 1572 C TRP A 98 6.995 -7.706 -3.632 1.00 54.03 C ATOM 1573 O TRP A 98 6.148 -8.364 -4.237 1.00 1.01 O ATOM 1574 CB TRP A 98 5.805 -6.135 -2.066 1.00 20.32 C ATOM 1575 CG TRP A 98 6.289 -6.882 -0.855 1.00 40.02 C ATOM 1576 CD1 TRP A 98 7.554 -6.884 -0.340 1.00 3.21 C ATOM 1577 CD2 TRP A 98 5.510 -7.728 0.001 1.00 52.25 C ATOM 1578 NE1 TRP A 98 7.610 -7.685 0.774 1.00 13.31 N ATOM 1579 CE2 TRP A 98 6.368 -8.210 1.007 1.00 53.21 C ATOM 1580 CE3 TRP A 98 4.173 -8.125 0.011 1.00 1.21 C ATOM 1581 CZ2 TRP A 98 5.930 -9.064 2.016 1.00 10.23 C ATOM 1582 CZ3 TRP A 98 3.737 -8.969 1.013 1.00 75.22 C ATOM 1583 CH2 TRP A 98 4.613 -9.434 2.002 1.00 35.34 C ATOM 0 H TRP A 98 5.281 -5.111 -4.261 1.00 0.14 H new ATOM 0 HA TRP A 98 7.709 -5.794 -3.001 1.00 55.33 H new ATOM 0 HB2 TRP A 98 5.674 -5.085 -1.806 1.00 20.32 H new ATOM 0 HB3 TRP A 98 4.825 -6.518 -2.351 1.00 20.32 H new ATOM 0 HD1 TRP A 98 8.389 -6.335 -0.750 1.00 3.21 H new ATOM 0 HE1 TRP A 98 8.443 -7.860 1.337 1.00 13.31 H new ATOM 0 HE3 TRP A 98 3.491 -7.778 -0.751 1.00 1.21 H new ATOM 0 HZ2 TRP A 98 6.604 -9.421 2.780 1.00 10.23 H new ATOM 0 HZ3 TRP A 98 2.702 -9.276 1.035 1.00 75.22 H new ATOM 0 HH2 TRP A 98 4.241 -10.098 2.769 1.00 35.34 H new ATOM 1594 N GLN A 99 8.162 -8.214 -3.248 1.00 2.51 N ATOM 1595 CA GLN A 99 8.563 -9.580 -3.577 1.00 62.40 C ATOM 1596 C GLN A 99 9.175 -10.289 -2.356 1.00 31.21 C ATOM 1597 O GLN A 99 10.344 -10.074 -2.031 1.00 23.13 O ATOM 1598 CB GLN A 99 9.572 -9.551 -4.734 1.00 33.11 C ATOM 1599 CG GLN A 99 9.983 -10.927 -5.239 1.00 1.21 C ATOM 1600 CD GLN A 99 11.001 -10.857 -6.363 1.00 43.42 C ATOM 1601 OE1 GLN A 99 12.205 -10.851 -6.127 1.00 74.15 O ATOM 1602 NE2 GLN A 99 10.532 -10.790 -7.592 1.00 31.30 N ATOM 0 H GLN A 99 8.852 -7.696 -2.704 1.00 2.51 H new ATOM 0 HA GLN A 99 7.677 -10.140 -3.878 1.00 62.40 H new ATOM 0 HB2 GLN A 99 9.143 -8.986 -5.561 1.00 33.11 H new ATOM 0 HB3 GLN A 99 10.464 -9.014 -4.410 1.00 33.11 H new ATOM 0 HG2 GLN A 99 10.399 -11.504 -4.413 1.00 1.21 H new ATOM 0 HG3 GLN A 99 9.099 -11.461 -5.587 1.00 1.21 H new ATOM 0 HE21 GLN A 99 9.525 -10.797 -7.755 1.00 31.30 H new ATOM 0 HE22 GLN A 99 11.176 -10.731 -8.381 1.00 31.30 H new ATOM 1611 N PRO A 100 8.387 -11.116 -1.638 1.00 3.14 N ATOM 1612 CA PRO A 100 8.909 -11.933 -0.528 1.00 51.24 C ATOM 1613 C PRO A 100 9.957 -12.947 -1.022 1.00 30.21 C ATOM 1614 O PRO A 100 11.006 -13.141 -0.400 1.00 21.20 O ATOM 1615 CB PRO A 100 7.657 -12.643 0.023 1.00 34.43 C ATOM 1616 CG PRO A 100 6.656 -12.583 -1.085 1.00 53.01 C ATOM 1617 CD PRO A 100 6.937 -11.306 -1.833 1.00 63.32 C ATOM 0 HA PRO A 100 9.421 -11.337 0.227 1.00 51.24 H new ATOM 0 HB2 PRO A 100 7.878 -13.674 0.299 1.00 34.43 H new ATOM 0 HB3 PRO A 100 7.284 -12.146 0.919 1.00 34.43 H new ATOM 0 HG2 PRO A 100 6.749 -13.448 -1.742 1.00 53.01 H new ATOM 0 HG3 PRO A 100 5.639 -12.589 -0.692 1.00 53.01 H new ATOM 0 HD2 PRO A 100 6.680 -11.392 -2.889 1.00 63.32 H new ATOM 0 HD3 PRO A 100 6.363 -10.470 -1.433 1.00 63.32 H new ATOM 1625 N LEU A 101 9.653 -13.583 -2.154 1.00 72.40 N ATOM 1626 CA LEU A 101 10.592 -14.469 -2.849 1.00 45.52 C ATOM 1627 C LEU A 101 10.394 -14.349 -4.366 1.00 24.22 C ATOM 1628 O LEU A 101 9.303 -14.000 -4.827 1.00 43.20 O ATOM 1629 CB LEU A 101 10.432 -15.935 -2.396 1.00 14.32 C ATOM 1630 CG LEU A 101 9.110 -16.635 -2.777 1.00 70.21 C ATOM 1631 CD1 LEU A 101 9.196 -18.134 -2.492 1.00 13.41 C ATOM 1632 CD2 LEU A 101 7.923 -16.025 -2.033 1.00 54.53 C ATOM 0 H LEU A 101 8.748 -13.499 -2.617 1.00 72.40 H new ATOM 0 HA LEU A 101 11.605 -14.158 -2.593 1.00 45.52 H new ATOM 0 HB2 LEU A 101 11.256 -16.513 -2.814 1.00 14.32 H new ATOM 0 HB3 LEU A 101 10.536 -15.970 -1.312 1.00 14.32 H new ATOM 0 HG LEU A 101 8.952 -16.486 -3.845 1.00 70.21 H new ATOM 0 HD11 LEU A 101 8.255 -18.611 -2.767 1.00 13.41 H new ATOM 0 HD12 LEU A 101 10.007 -18.569 -3.075 1.00 13.41 H new ATOM 0 HD13 LEU A 101 9.387 -18.292 -1.431 1.00 13.41 H new ATOM 0 HD21 LEU A 101 7.008 -16.540 -2.324 1.00 54.53 H new ATOM 0 HD22 LEU A 101 8.074 -16.131 -0.959 1.00 54.53 H new ATOM 0 HD23 LEU A 101 7.840 -14.968 -2.285 1.00 54.53 H new ATOM 1644 N GLU A 102 11.446 -14.635 -5.132 1.00 12.32 N ATOM 1645 CA GLU A 102 11.433 -14.414 -6.589 1.00 21.03 C ATOM 1646 C GLU A 102 10.269 -15.137 -7.302 1.00 32.23 C ATOM 1647 O GLU A 102 10.049 -16.344 -7.052 1.00 37.41 O ATOM 1648 CB GLU A 102 12.783 -14.811 -7.211 1.00 71.15 C ATOM 1649 CG GLU A 102 13.190 -16.264 -6.981 1.00 52.41 C ATOM 1650 CD GLU A 102 14.548 -16.591 -7.586 1.00 34.14 C ATOM 1651 OE1 GLU A 102 14.623 -16.789 -8.820 1.00 52.52 O ATOM 1652 OE2 GLU A 102 15.547 -16.643 -6.834 1.00 13.34 O ATOM 0 H GLU A 102 12.320 -15.020 -4.774 1.00 12.32 H new ATOM 0 HA GLU A 102 11.271 -13.346 -6.739 1.00 21.03 H new ATOM 0 HB2 GLU A 102 12.741 -14.625 -8.284 1.00 71.15 H new ATOM 0 HB3 GLU A 102 13.559 -14.162 -6.805 1.00 71.15 H new ATOM 0 HG2 GLU A 102 13.215 -16.466 -5.910 1.00 52.41 H new ATOM 0 HG3 GLU A 102 12.436 -16.922 -7.412 1.00 52.41 H new TER 1659 GLU A 102