USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 933 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 43 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -129:sc= -0.0279 (180deg=0) USER MOD Set 2.1: A 10 THR OG1 : rot 76:sc= 0.396 USER MOD Set 2.2: A 20 LYS NZ :NH3+ 136:sc= 0.0766 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.523 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.35 K(o=-0.35,f=-3.2!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.2!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 55 SER OG : rot 170:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.47) USER MOD Single : A 76 SER OG : rot -130:sc= -0.67 USER MOD Single : A 81 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.9!) USER MOD Single : A 84 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-1.7) USER MOD Single : A 87 TYR OH : rot 165:sc= -0.802 USER MOD Single : A 88 MET CE :methyl 159:sc= -0.157 (180deg=-0.758) USER MOD Single : A 98 THR OG1 : rot 107:sc= -0.412 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 111 LYS NZ :NH3+ -133:sc= -0.488 (180deg=-1.73!) USER MOD Single : A 112 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.32) USER MOD Single : A 115 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.966 -3.253 -4.481 1.00 74.53 N ATOM 41 CA GLU A 4 -2.948 -3.173 -5.557 1.00 44.43 C ATOM 42 C GLU A 4 -3.601 -4.530 -5.800 1.00 72.00 C ATOM 43 O GLU A 4 -4.760 -4.609 -6.209 1.00 41.22 O ATOM 44 CB GLU A 4 -2.287 -2.675 -6.844 1.00 55.41 C ATOM 45 CG GLU A 4 -3.187 -2.767 -8.065 1.00 51.52 C ATOM 46 CD GLU A 4 -2.612 -2.049 -9.270 1.00 0.52 C ATOM 47 OE1 GLU A 4 -1.460 -2.350 -9.647 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -3.313 -1.185 -9.835 1.00 44.14 O ATOM 0 HA GLU A 4 -3.721 -2.466 -5.257 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.979 -1.638 -6.707 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -1.382 -3.255 -7.026 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -3.348 -3.816 -8.315 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -4.162 -2.343 -7.825 1.00 51.52 H new ATOM 55 N LEU A 5 -2.851 -5.595 -5.543 1.00 43.24 N ATOM 56 CA LEU A 5 -3.356 -6.951 -5.735 1.00 13.32 C ATOM 57 C LEU A 5 -4.660 -7.159 -4.972 1.00 63.44 C ATOM 58 O LEU A 5 -5.551 -7.876 -5.428 1.00 51.25 O ATOM 59 CB LEU A 5 -2.315 -7.974 -5.275 1.00 63.32 C ATOM 60 CG LEU A 5 -2.152 -8.132 -3.763 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.366 -9.393 -3.440 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.471 -6.909 -3.169 1.00 74.41 C ATOM 0 H LEU A 5 -1.891 -5.547 -5.201 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.551 -7.092 -6.798 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.578 -8.945 -5.695 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.350 -7.695 -5.697 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.143 -8.222 -3.318 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.260 -9.489 -2.359 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -1.895 -10.262 -3.831 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.379 -9.333 -3.898 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.364 -7.039 -2.092 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.486 -6.786 -3.620 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.074 -6.024 -3.369 1.00 74.41 H new ATOM 74 N LEU A 6 -4.768 -6.523 -3.810 1.00 10.52 N ATOM 75 CA LEU A 6 -5.965 -6.635 -2.985 1.00 13.21 C ATOM 76 C LEU A 6 -7.186 -6.093 -3.720 1.00 51.12 C ATOM 77 O LEU A 6 -8.273 -6.667 -3.648 1.00 73.12 O ATOM 78 CB LEU A 6 -5.773 -5.883 -1.668 1.00 44.03 C ATOM 79 CG LEU A 6 -4.613 -6.353 -0.789 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.233 -5.276 0.215 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.975 -7.647 -0.075 1.00 22.10 C ATOM 0 H LEU A 6 -4.041 -5.925 -3.418 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.132 -7.691 -2.772 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.626 -4.827 -1.894 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.694 -5.961 -1.091 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.752 -6.544 -1.429 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.406 -5.629 0.831 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.930 -4.374 -0.316 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.090 -5.053 0.851 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.138 -7.966 0.546 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.851 -7.483 0.553 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.196 -8.419 -0.812 1.00 22.10 H new ATOM 93 N ASP A 7 -7.000 -4.985 -4.428 1.00 4.52 N ATOM 94 CA ASP A 7 -8.086 -4.366 -5.180 1.00 25.12 C ATOM 95 C ASP A 7 -8.515 -5.252 -6.345 1.00 33.21 C ATOM 96 O ASP A 7 -9.700 -5.351 -6.659 1.00 24.02 O ATOM 97 CB ASP A 7 -7.657 -2.992 -5.699 1.00 34.32 C ATOM 98 CG ASP A 7 -8.820 -2.026 -5.812 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.551 -1.861 -4.814 1.00 34.22 O ATOM 100 OD2 ASP A 7 -8.999 -1.438 -6.900 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.107 -4.496 -4.497 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.936 -4.243 -4.509 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -6.905 -2.573 -5.031 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.187 -3.106 -6.676 1.00 34.32 H new ATOM 105 N ALA A 8 -7.541 -5.893 -6.983 1.00 74.43 N ATOM 106 CA ALA A 8 -7.817 -6.772 -8.113 1.00 44.45 C ATOM 107 C ALA A 8 -8.809 -7.865 -7.728 1.00 72.11 C ATOM 108 O ALA A 8 -9.840 -8.040 -8.379 1.00 71.43 O ATOM 109 CB ALA A 8 -6.527 -7.386 -8.632 1.00 72.11 C ATOM 0 H ALA A 8 -6.554 -5.820 -6.737 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.265 -6.174 -8.906 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.749 -8.040 -9.475 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.851 -6.594 -8.955 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.055 -7.965 -7.838 1.00 72.11 H new ATOM 115 N LEU A 9 -8.490 -8.599 -6.667 1.00 65.10 N ATOM 116 CA LEU A 9 -9.353 -9.677 -6.197 1.00 30.43 C ATOM 117 C LEU A 9 -10.763 -9.165 -5.924 1.00 2.51 C ATOM 118 O LEU A 9 -11.750 -9.820 -6.265 1.00 14.11 O ATOM 119 CB LEU A 9 -8.772 -10.304 -4.927 1.00 54.45 C ATOM 120 CG LEU A 9 -7.294 -10.693 -4.987 1.00 52.20 C ATOM 121 CD1 LEU A 9 -6.608 -10.388 -3.663 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.143 -12.164 -5.342 1.00 32.24 C ATOM 0 H LEU A 9 -7.641 -8.467 -6.117 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.406 -10.435 -6.979 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -8.910 -9.603 -4.104 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.352 -11.195 -4.687 1.00 54.45 H new ATOM 0 HG LEU A 9 -6.814 -10.102 -5.767 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -5.557 -10.671 -3.724 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -6.685 -9.322 -3.451 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.090 -10.952 -2.865 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.085 -12.422 -5.380 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -7.638 -12.773 -4.586 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.598 -12.352 -6.315 1.00 32.24 H new ATOM 134 N THR A 10 -10.854 -7.991 -5.310 1.00 42.42 N ATOM 135 CA THR A 10 -12.144 -7.390 -4.993 1.00 45.22 C ATOM 136 C THR A 10 -12.976 -7.180 -6.252 1.00 33.22 C ATOM 137 O THR A 10 -14.172 -7.475 -6.274 1.00 71.53 O ATOM 138 CB THR A 10 -11.973 -6.040 -4.273 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.252 -6.224 -3.049 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.325 -5.408 -3.979 1.00 62.04 C ATOM 0 H THR A 10 -10.049 -7.436 -5.021 1.00 42.42 H new ATOM 0 HA THR A 10 -12.662 -8.083 -4.330 1.00 45.22 H new ATOM 0 HB THR A 10 -11.412 -5.374 -4.928 1.00 10.42 H new ATOM 0 HG1 THR A 10 -10.300 -6.351 -3.246 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.178 -4.455 -3.470 1.00 62.04 H new ATOM 0 HG22 THR A 10 -13.860 -5.241 -4.914 1.00 62.04 H new ATOM 0 HG23 THR A 10 -13.907 -6.074 -3.342 1.00 62.04 H new ATOM 148 N ILE A 11 -12.337 -6.669 -7.300 1.00 32.10 N ATOM 149 CA ILE A 11 -13.020 -6.421 -8.563 1.00 21.23 C ATOM 150 C ILE A 11 -13.715 -7.681 -9.069 1.00 62.33 C ATOM 151 O ILE A 11 -14.784 -7.612 -9.677 1.00 65.32 O ATOM 152 CB ILE A 11 -12.042 -5.920 -9.643 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.379 -4.616 -9.195 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.767 -5.725 -10.966 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.981 -4.430 -9.743 1.00 14.01 C ATOM 0 H ILE A 11 -11.348 -6.419 -7.299 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.765 -5.649 -8.372 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.265 -6.671 -9.785 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.999 -3.776 -9.509 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.340 -4.593 -8.106 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.062 -5.371 -11.718 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.196 -6.673 -11.289 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.563 -4.991 -10.840 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.572 -3.485 -9.385 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.346 -5.250 -9.407 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.016 -4.420 -10.832 1.00 14.01 H new ATOM 167 N LEU A 12 -13.103 -8.831 -8.813 1.00 75.15 N ATOM 168 CA LEU A 12 -13.664 -10.109 -9.240 1.00 35.45 C ATOM 169 C LEU A 12 -14.874 -10.483 -8.389 1.00 52.41 C ATOM 170 O LEU A 12 -15.762 -11.205 -8.842 1.00 23.30 O ATOM 171 CB LEU A 12 -12.604 -11.209 -9.151 1.00 52.11 C ATOM 172 CG LEU A 12 -11.196 -10.821 -9.605 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.245 -12.000 -9.460 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.217 -10.324 -11.044 1.00 60.44 C ATOM 0 H LEU A 12 -12.218 -8.906 -8.312 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.988 -10.008 -10.276 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.550 -11.551 -8.118 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.937 -12.056 -9.750 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.839 -10.012 -8.968 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.248 -11.706 -9.788 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.207 -12.310 -8.416 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.598 -12.830 -10.073 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.207 -10.052 -11.350 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.594 -11.112 -11.696 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.865 -9.451 -11.118 1.00 60.44 H new ATOM 186 N GLU A 13 -14.902 -9.986 -7.157 1.00 2.20 N ATOM 187 CA GLU A 13 -16.003 -10.269 -6.245 1.00 73.44 C ATOM 188 C GLU A 13 -17.314 -9.699 -6.782 1.00 24.32 C ATOM 189 O GLU A 13 -18.393 -10.221 -6.501 1.00 32.15 O ATOM 190 CB GLU A 13 -15.712 -9.686 -4.860 1.00 53.14 C ATOM 191 CG GLU A 13 -16.614 -10.234 -3.768 1.00 32.32 C ATOM 192 CD GLU A 13 -16.432 -9.513 -2.445 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.522 -8.268 -2.432 1.00 5.24 O ATOM 194 OE2 GLU A 13 -16.198 -10.194 -1.426 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.175 -9.386 -6.768 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.102 -11.351 -6.162 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.674 -9.892 -4.599 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -15.822 -8.602 -4.901 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.654 -10.149 -4.084 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.408 -11.296 -3.630 1.00 32.32 H new ATOM 201 N LYS A 14 -17.212 -8.625 -7.557 1.00 41.41 N ATOM 202 CA LYS A 14 -18.386 -7.983 -8.135 1.00 53.15 C ATOM 203 C LYS A 14 -19.240 -8.993 -8.894 1.00 32.03 C ATOM 204 O LYS A 14 -20.467 -8.905 -8.895 1.00 33.02 O ATOM 205 CB LYS A 14 -17.964 -6.849 -9.073 1.00 52.04 C ATOM 206 CG LYS A 14 -17.216 -5.728 -8.374 1.00 23.23 C ATOM 207 CD LYS A 14 -18.172 -4.726 -7.748 1.00 74.34 C ATOM 208 CE LYS A 14 -17.552 -4.044 -6.538 1.00 0.54 C ATOM 209 NZ LYS A 14 -18.502 -3.100 -5.886 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.327 -8.180 -7.800 1.00 41.41 H new ATOM 0 HA LYS A 14 -18.981 -7.570 -7.320 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.334 -7.258 -9.863 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.851 -6.438 -9.554 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -16.569 -6.146 -7.603 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -16.570 -5.219 -9.089 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -18.449 -3.975 -8.488 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -19.089 -5.234 -7.450 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -17.238 -4.799 -5.817 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -16.656 -3.504 -6.845 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -18.042 -2.656 -5.066 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -18.783 -2.365 -6.566 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -19.346 -3.620 -5.570 1.00 44.11 H new ATOM 223 N GLU A 15 -18.582 -9.954 -9.537 1.00 31.13 N ATOM 224 CA GLU A 15 -19.282 -10.981 -10.298 1.00 10.21 C ATOM 225 C GLU A 15 -20.305 -11.703 -9.425 1.00 74.31 C ATOM 226 O GLU A 15 -20.385 -11.469 -8.219 1.00 23.34 O ATOM 227 CB GLU A 15 -18.286 -11.989 -10.874 1.00 45.25 C ATOM 228 CG GLU A 15 -17.880 -11.692 -12.308 1.00 55.15 C ATOM 229 CD GLU A 15 -19.071 -11.590 -13.242 1.00 24.20 C ATOM 230 OE1 GLU A 15 -20.029 -12.374 -13.069 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -19.046 -10.729 -14.145 1.00 1.53 O ATOM 0 H GLU A 15 -17.566 -10.042 -9.545 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.809 -10.493 -11.118 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.394 -12.004 -10.248 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -18.724 -12.986 -10.828 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -17.319 -10.758 -12.337 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -17.211 -12.476 -12.662 1.00 55.15 H new ATOM 238 N LYS A 16 -21.088 -12.581 -10.044 1.00 54.02 N ATOM 239 CA LYS A 16 -22.105 -13.339 -9.327 1.00 15.32 C ATOM 240 C LYS A 16 -21.764 -14.825 -9.307 1.00 60.10 C ATOM 241 O LYS A 16 -21.439 -15.411 -10.339 1.00 20.10 O ATOM 242 CB LYS A 16 -23.477 -13.127 -9.971 1.00 20.41 C ATOM 243 CG LYS A 16 -24.607 -13.831 -9.241 1.00 32.52 C ATOM 244 CD LYS A 16 -24.716 -13.364 -7.799 1.00 20.11 C ATOM 245 CE LYS A 16 -25.978 -13.893 -7.135 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.908 -13.792 -5.651 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.037 -12.785 -11.042 1.00 54.02 H new ATOM 0 HA LYS A 16 -22.134 -12.978 -8.299 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.690 -12.059 -10.009 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.444 -13.482 -11.001 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -25.548 -13.642 -9.758 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -24.441 -14.908 -9.264 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.842 -13.699 -7.240 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.716 -12.274 -7.767 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -26.841 -13.333 -7.497 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -26.130 -14.934 -7.421 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -26.787 -14.163 -5.236 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.100 -14.347 -5.303 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -25.788 -12.796 -5.376 1.00 30.23 H new ATOM 260 N GLY A 17 -21.843 -15.430 -8.125 1.00 53.14 N ATOM 261 CA GLY A 17 -21.541 -16.844 -7.995 1.00 1.24 C ATOM 262 C GLY A 17 -20.050 -17.116 -7.946 1.00 24.31 C ATOM 263 O GLY A 17 -19.627 -18.268 -7.838 1.00 30.33 O ATOM 0 H GLY A 17 -22.110 -14.967 -7.256 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -22.008 -17.230 -7.089 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.979 -17.385 -8.834 1.00 1.24 H new ATOM 267 N ILE A 18 -19.254 -16.056 -8.027 1.00 51.44 N ATOM 268 CA ILE A 18 -17.803 -16.187 -7.992 1.00 32.50 C ATOM 269 C ILE A 18 -17.235 -15.669 -6.675 1.00 3.32 C ATOM 270 O ILE A 18 -17.602 -14.589 -6.212 1.00 25.41 O ATOM 271 CB ILE A 18 -17.141 -15.429 -9.158 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.839 -15.766 -10.478 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.659 -15.765 -9.236 1.00 34.32 C ATOM 274 CD1 ILE A 18 -17.264 -15.035 -11.669 1.00 3.12 C ATOM 0 H ILE A 18 -19.589 -15.097 -8.117 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.580 -17.250 -8.087 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.242 -14.359 -8.978 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.769 -16.840 -10.653 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.899 -15.525 -10.391 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.206 -15.221 -10.065 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -15.171 -15.478 -8.304 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -15.537 -16.836 -9.395 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.807 -15.322 -12.569 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.358 -13.960 -11.516 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -16.211 -15.295 -11.782 1.00 3.12 H new ATOM 286 N SER A 19 -16.337 -16.444 -6.078 1.00 72.20 N ATOM 287 CA SER A 19 -15.719 -16.064 -4.814 1.00 5.03 C ATOM 288 C SER A 19 -14.232 -15.775 -4.999 1.00 10.11 C ATOM 289 O SER A 19 -13.515 -16.540 -5.644 1.00 55.41 O ATOM 290 CB SER A 19 -15.910 -17.172 -3.775 1.00 70.31 C ATOM 291 OG SER A 19 -17.284 -17.407 -3.525 1.00 12.11 O ATOM 0 H SER A 19 -16.021 -17.340 -6.449 1.00 72.20 H new ATOM 0 HA SER A 19 -16.205 -15.155 -4.460 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.439 -18.090 -4.127 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.411 -16.894 -2.847 1.00 70.31 H new ATOM 0 HG SER A 19 -17.378 -18.120 -2.859 1.00 12.11 H new ATOM 297 N LYS A 20 -13.776 -14.665 -4.429 1.00 21.45 N ATOM 298 CA LYS A 20 -12.375 -14.273 -4.530 1.00 74.43 C ATOM 299 C LYS A 20 -11.490 -15.205 -3.709 1.00 44.01 C ATOM 300 O LYS A 20 -10.279 -15.270 -3.920 1.00 62.25 O ATOM 301 CB LYS A 20 -12.193 -12.829 -4.056 1.00 25.14 C ATOM 302 CG LYS A 20 -12.232 -12.676 -2.545 1.00 31.04 C ATOM 303 CD LYS A 20 -12.222 -11.213 -2.133 1.00 45.33 C ATOM 304 CE LYS A 20 -10.971 -10.503 -2.628 1.00 73.32 C ATOM 305 NZ LYS A 20 -10.781 -9.186 -1.960 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.356 -14.021 -3.892 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.077 -14.345 -5.576 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.240 -12.451 -4.427 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.975 -12.210 -4.496 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.126 -13.160 -2.152 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -11.375 -13.185 -2.104 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -13.106 -10.716 -2.532 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -12.278 -11.139 -1.047 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -10.100 -11.132 -2.445 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -11.038 -10.357 -3.706 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -9.783 -9.075 -1.688 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -11.048 -8.423 -2.614 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -11.379 -9.138 -1.110 1.00 24.23 H new ATOM 319 N GLU A 21 -12.102 -15.923 -2.773 1.00 64.52 N ATOM 320 CA GLU A 21 -11.367 -16.851 -1.922 1.00 11.33 C ATOM 321 C GLU A 21 -10.540 -17.821 -2.760 1.00 34.03 C ATOM 322 O GLU A 21 -9.437 -18.209 -2.373 1.00 42.53 O ATOM 323 CB GLU A 21 -12.333 -17.630 -1.027 1.00 34.13 C ATOM 324 CG GLU A 21 -13.431 -18.349 -1.794 1.00 74.01 C ATOM 325 CD GLU A 21 -14.703 -18.503 -0.986 1.00 20.11 C ATOM 326 OE1 GLU A 21 -15.012 -17.594 -0.187 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.392 -19.532 -1.152 1.00 12.41 O ATOM 0 H GLU A 21 -13.104 -15.880 -2.585 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.689 -16.270 -1.296 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -11.769 -18.361 -0.447 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.790 -16.942 -0.315 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.651 -17.798 -2.708 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.074 -19.334 -2.094 1.00 74.01 H new ATOM 334 N ILE A 22 -11.080 -18.209 -3.911 1.00 11.12 N ATOM 335 CA ILE A 22 -10.392 -19.132 -4.804 1.00 52.11 C ATOM 336 C ILE A 22 -9.313 -18.416 -5.610 1.00 5.14 C ATOM 337 O ILE A 22 -8.347 -19.034 -6.059 1.00 62.02 O ATOM 338 CB ILE A 22 -11.375 -19.813 -5.776 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.444 -20.582 -4.998 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.627 -20.742 -6.720 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.788 -19.889 -4.972 1.00 40.42 C ATOM 0 H ILE A 22 -11.992 -17.898 -4.246 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.929 -19.893 -4.176 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.868 -19.044 -6.370 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.563 -21.571 -5.440 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.101 -20.730 -3.974 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.334 -21.216 -7.401 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.900 -20.168 -7.294 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -10.110 -21.508 -6.142 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.497 -20.491 -4.403 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.684 -18.911 -4.502 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -14.153 -19.765 -5.991 1.00 40.42 H new ATOM 353 N ILE A 23 -9.483 -17.111 -5.788 1.00 13.43 N ATOM 354 CA ILE A 23 -8.522 -16.311 -6.536 1.00 72.34 C ATOM 355 C ILE A 23 -7.225 -16.134 -5.753 1.00 55.40 C ATOM 356 O ILE A 23 -6.132 -16.275 -6.303 1.00 31.34 O ATOM 357 CB ILE A 23 -9.093 -14.922 -6.881 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.408 -15.065 -7.649 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.084 -14.121 -7.692 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.244 -15.679 -9.021 1.00 34.01 C ATOM 0 H ILE A 23 -10.278 -16.585 -5.424 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.315 -16.850 -7.460 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.292 -14.386 -5.953 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.095 -15.678 -7.066 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.867 -14.082 -7.753 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.502 -13.142 -7.928 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.169 -13.995 -7.113 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.857 -14.651 -8.617 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.217 -15.749 -9.507 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.583 -15.055 -9.622 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.814 -16.676 -8.924 1.00 34.01 H new ATOM 372 N ILE A 24 -7.354 -15.826 -4.467 1.00 51.31 N ATOM 373 CA ILE A 24 -6.193 -15.634 -3.607 1.00 74.21 C ATOM 374 C ILE A 24 -5.242 -16.823 -3.693 1.00 44.54 C ATOM 375 O ILE A 24 -4.023 -16.660 -3.646 1.00 32.23 O ATOM 376 CB ILE A 24 -6.608 -15.428 -2.138 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.358 -14.104 -1.978 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.385 -15.463 -1.233 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.819 -14.276 -1.624 1.00 31.23 C ATOM 0 H ILE A 24 -8.251 -15.704 -3.998 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.683 -14.738 -3.961 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.275 -16.239 -1.847 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.872 -13.512 -1.203 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.282 -13.538 -2.906 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.694 -15.316 -0.198 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.888 -16.428 -1.330 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.696 -14.670 -1.522 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.287 -13.297 -1.526 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.320 -14.841 -2.410 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.904 -14.814 -0.680 1.00 31.23 H new ATOM 391 N GLU A 25 -5.809 -18.019 -3.822 1.00 72.53 N ATOM 392 CA GLU A 25 -5.010 -19.235 -3.915 1.00 43.13 C ATOM 393 C GLU A 25 -4.274 -19.301 -5.250 1.00 2.50 C ATOM 394 O GLU A 25 -3.201 -19.895 -5.351 1.00 34.42 O ATOM 395 CB GLU A 25 -5.900 -20.470 -3.750 1.00 73.04 C ATOM 396 CG GLU A 25 -6.685 -20.483 -2.450 1.00 44.41 C ATOM 397 CD GLU A 25 -5.915 -21.122 -1.310 1.00 73.01 C ATOM 398 OE1 GLU A 25 -5.310 -22.193 -1.528 1.00 32.20 O ATOM 399 OE2 GLU A 25 -5.917 -20.551 -0.199 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.817 -18.171 -3.864 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.272 -19.217 -3.113 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.597 -20.520 -4.586 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.279 -21.364 -3.799 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.947 -19.461 -2.178 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.620 -21.023 -2.600 1.00 44.41 H new ATOM 406 N ALA A 26 -4.859 -18.686 -6.273 1.00 1.41 N ATOM 407 CA ALA A 26 -4.259 -18.673 -7.601 1.00 44.13 C ATOM 408 C ALA A 26 -2.927 -17.930 -7.595 1.00 13.13 C ATOM 409 O ALA A 26 -1.918 -18.442 -8.079 1.00 24.00 O ATOM 410 CB ALA A 26 -5.213 -18.043 -8.605 1.00 14.40 C ATOM 0 H ALA A 26 -5.748 -18.190 -6.207 1.00 1.41 H new ATOM 0 HA ALA A 26 -4.068 -19.705 -7.896 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.752 -18.040 -9.593 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.138 -18.618 -8.638 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.433 -17.019 -8.304 1.00 14.40 H new ATOM 416 N ILE A 27 -2.933 -16.721 -7.046 1.00 44.10 N ATOM 417 CA ILE A 27 -1.725 -15.908 -6.977 1.00 13.45 C ATOM 418 C ILE A 27 -0.594 -16.661 -6.285 1.00 13.44 C ATOM 419 O ILE A 27 0.550 -16.633 -6.737 1.00 54.42 O ATOM 420 CB ILE A 27 -1.978 -14.586 -6.228 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.015 -13.742 -6.974 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.678 -13.812 -6.063 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.425 -13.920 -6.457 1.00 74.33 C ATOM 0 H ILE A 27 -3.761 -16.282 -6.642 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.436 -15.686 -8.004 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.369 -14.817 -5.237 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.739 -12.690 -6.897 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.989 -14.002 -8.032 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.874 -12.881 -5.532 1.00 13.51 H new ATOM 0 HG22 ILE A 27 0.033 -14.411 -5.494 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.260 -13.589 -7.045 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.105 -13.292 -7.032 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.721 -14.964 -6.559 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.466 -13.632 -5.406 1.00 74.33 H new ATOM 435 N GLU A 28 -0.924 -17.336 -5.188 1.00 54.21 N ATOM 436 CA GLU A 28 0.065 -18.099 -4.436 1.00 54.51 C ATOM 437 C GLU A 28 0.769 -19.113 -5.332 1.00 43.41 C ATOM 438 O GLU A 28 1.991 -19.092 -5.472 1.00 43.02 O ATOM 439 CB GLU A 28 -0.600 -18.816 -3.259 1.00 64.12 C ATOM 440 CG GLU A 28 -1.260 -17.875 -2.266 1.00 40.22 C ATOM 441 CD GLU A 28 -2.449 -18.505 -1.566 1.00 51.43 C ATOM 442 OE1 GLU A 28 -2.588 -19.744 -1.636 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -3.238 -17.760 -0.950 1.00 63.03 O ATOM 0 H GLU A 28 -1.867 -17.370 -4.801 1.00 54.21 H new ATOM 0 HA GLU A 28 0.810 -17.401 -4.054 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.349 -19.509 -3.643 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.149 -19.413 -2.738 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.527 -17.566 -1.521 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.585 -16.974 -2.786 1.00 40.22 H new ATOM 450 N ALA A 29 -0.014 -20.000 -5.939 1.00 30.04 N ATOM 451 CA ALA A 29 0.532 -21.021 -6.824 1.00 12.54 C ATOM 452 C ALA A 29 1.396 -20.398 -7.915 1.00 13.03 C ATOM 453 O ALA A 29 2.348 -21.012 -8.394 1.00 61.31 O ATOM 454 CB ALA A 29 -0.591 -21.841 -7.441 1.00 31.13 C ATOM 0 H ALA A 29 -1.028 -20.031 -5.834 1.00 30.04 H new ATOM 0 HA ALA A 29 1.164 -21.681 -6.229 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.168 -22.600 -8.100 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.164 -22.325 -6.651 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.246 -21.186 -8.015 1.00 31.13 H new ATOM 460 N ALA A 30 1.055 -19.174 -8.306 1.00 53.23 N ATOM 461 CA ALA A 30 1.799 -18.467 -9.340 1.00 23.45 C ATOM 462 C ALA A 30 3.159 -18.012 -8.823 1.00 61.02 C ATOM 463 O ALA A 30 4.180 -18.191 -9.490 1.00 51.44 O ATOM 464 CB ALA A 30 0.999 -17.275 -9.846 1.00 32.41 C ATOM 0 H ALA A 30 0.268 -18.652 -7.922 1.00 53.23 H new ATOM 0 HA ALA A 30 1.966 -19.156 -10.168 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.568 -16.757 -10.618 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.054 -17.622 -10.263 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.802 -16.592 -9.020 1.00 32.41 H new ATOM 470 N LEU A 31 3.168 -17.423 -7.633 1.00 5.35 N ATOM 471 CA LEU A 31 4.405 -16.942 -7.027 1.00 1.23 C ATOM 472 C LEU A 31 5.391 -18.087 -6.816 1.00 21.11 C ATOM 473 O LEU A 31 6.549 -18.004 -7.225 1.00 34.51 O ATOM 474 CB LEU A 31 4.109 -16.257 -5.692 1.00 45.33 C ATOM 475 CG LEU A 31 3.839 -14.753 -5.752 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.024 -14.023 -6.368 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.569 -14.471 -6.541 1.00 43.31 C ATOM 0 H LEU A 31 2.333 -17.267 -7.068 1.00 5.35 H new ATOM 0 HA LEU A 31 4.856 -16.220 -7.707 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.244 -16.743 -5.242 1.00 45.33 H new ATOM 0 HB3 LEU A 31 4.954 -16.427 -5.024 1.00 45.33 H new ATOM 0 HG LEU A 31 3.700 -14.387 -4.735 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.815 -12.954 -6.403 1.00 53.12 H new ATOM 0 HD12 LEU A 31 5.914 -14.199 -5.764 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.193 -14.393 -7.379 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.392 -13.396 -6.574 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.679 -14.852 -7.556 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.724 -14.963 -6.059 1.00 43.31 H new ATOM 489 N ILE A 32 4.921 -19.155 -6.179 1.00 24.45 N ATOM 490 CA ILE A 32 5.760 -20.317 -5.919 1.00 71.03 C ATOM 491 C ILE A 32 6.334 -20.883 -7.214 1.00 24.23 C ATOM 492 O ILE A 32 7.503 -21.263 -7.272 1.00 63.05 O ATOM 493 CB ILE A 32 4.976 -21.425 -5.191 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.861 -22.658 -4.990 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.723 -21.788 -5.973 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.486 -23.478 -3.775 1.00 4.22 C ATOM 0 H ILE A 32 3.965 -19.239 -5.834 1.00 24.45 H new ATOM 0 HA ILE A 32 6.576 -19.980 -5.280 1.00 71.03 H new ATOM 0 HB ILE A 32 4.675 -21.053 -4.212 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.799 -23.288 -5.877 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.899 -22.339 -4.897 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.180 -22.572 -5.446 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.087 -20.908 -6.070 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.003 -22.144 -6.964 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.154 -24.335 -3.694 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.575 -22.863 -2.879 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.458 -23.827 -3.875 1.00 4.22 H new ATOM 508 N SER A 33 5.504 -20.933 -8.250 1.00 23.51 N ATOM 509 CA SER A 33 5.929 -21.453 -9.544 1.00 62.33 C ATOM 510 C SER A 33 7.023 -20.579 -10.150 1.00 1.44 C ATOM 511 O SER A 33 8.056 -21.077 -10.593 1.00 2.10 O ATOM 512 CB SER A 33 4.737 -21.533 -10.502 1.00 3.21 C ATOM 513 OG SER A 33 5.135 -21.265 -11.834 1.00 24.42 O ATOM 0 H SER A 33 4.534 -20.620 -8.219 1.00 23.51 H new ATOM 0 HA SER A 33 6.332 -22.454 -9.390 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.287 -22.524 -10.446 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.973 -20.818 -10.197 1.00 3.21 H new ATOM 0 HG SER A 33 4.356 -21.324 -12.426 1.00 24.42 H new ATOM 519 N ALA A 34 6.786 -19.271 -10.163 1.00 22.53 N ATOM 520 CA ALA A 34 7.751 -18.326 -10.711 1.00 1.34 C ATOM 521 C ALA A 34 9.127 -18.521 -10.083 1.00 52.14 C ATOM 522 O ALA A 34 10.138 -18.583 -10.784 1.00 62.24 O ATOM 523 CB ALA A 34 7.270 -16.899 -10.501 1.00 23.24 C ATOM 0 H ALA A 34 5.934 -18.842 -9.800 1.00 22.53 H new ATOM 0 HA ALA A 34 7.839 -18.514 -11.781 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.001 -16.204 -10.915 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.312 -16.760 -11.003 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.152 -16.708 -9.434 1.00 23.24 H new ATOM 529 N TYR A 35 9.159 -18.614 -8.758 1.00 60.44 N ATOM 530 CA TYR A 35 10.413 -18.798 -8.035 1.00 42.44 C ATOM 531 C TYR A 35 10.923 -20.228 -8.185 1.00 40.45 C ATOM 532 O TYR A 35 12.125 -20.484 -8.098 1.00 13.24 O ATOM 533 CB TYR A 35 10.225 -18.464 -6.555 1.00 14.41 C ATOM 534 CG TYR A 35 11.438 -18.772 -5.706 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.634 -20.041 -5.175 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.387 -17.795 -5.436 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.741 -20.326 -4.399 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.498 -18.071 -4.662 1.00 13.02 C ATOM 539 CZ TYR A 35 13.670 -19.338 -4.146 1.00 1.20 C ATOM 540 OH TYR A 35 14.774 -19.619 -3.373 1.00 72.42 O ATOM 0 H TYR A 35 8.332 -18.565 -8.163 1.00 60.44 H new ATOM 0 HA TYR A 35 11.153 -18.121 -8.462 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.983 -17.406 -6.458 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.372 -19.023 -6.171 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.909 -20.817 -5.372 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.254 -16.801 -5.838 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.878 -21.317 -3.993 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.227 -17.299 -4.463 1.00 13.02 H new ATOM 0 HH TYR A 35 15.330 -18.816 -3.292 1.00 72.42 H new ATOM 550 N LYS A 36 10.001 -21.158 -8.413 1.00 5.13 N ATOM 551 CA LYS A 36 10.355 -22.562 -8.577 1.00 11.15 C ATOM 552 C LYS A 36 11.209 -22.766 -9.825 1.00 32.14 C ATOM 553 O LYS A 36 12.100 -23.615 -9.847 1.00 62.43 O ATOM 554 CB LYS A 36 9.092 -23.421 -8.665 1.00 64.34 C ATOM 555 CG LYS A 36 9.374 -24.909 -8.788 1.00 20.30 C ATOM 556 CD LYS A 36 8.275 -25.740 -8.148 1.00 1.42 C ATOM 557 CE LYS A 36 8.396 -25.752 -6.632 1.00 45.53 C ATOM 558 NZ LYS A 36 8.026 -27.075 -6.057 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.003 -20.964 -8.488 1.00 5.13 H new ATOM 0 HA LYS A 36 10.935 -22.868 -7.707 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.483 -23.248 -7.778 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.503 -23.099 -9.524 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.467 -25.177 -9.840 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.328 -25.140 -8.314 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.302 -25.340 -8.433 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.323 -26.761 -8.526 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.419 -25.505 -6.347 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.753 -24.980 -6.210 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 8.121 -27.043 -5.022 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 7.042 -27.299 -6.307 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.656 -27.808 -6.440 1.00 21.13 H new ATOM 572 N ARG A 37 10.930 -21.982 -10.861 1.00 74.25 N ATOM 573 CA ARG A 37 11.672 -22.077 -12.113 1.00 53.51 C ATOM 574 C ARG A 37 13.161 -21.832 -11.881 1.00 13.30 C ATOM 575 O ARG A 37 13.998 -22.229 -12.690 1.00 74.35 O ATOM 576 CB ARG A 37 11.130 -21.070 -13.129 1.00 25.33 C ATOM 577 CG ARG A 37 9.767 -21.442 -13.687 1.00 1.44 C ATOM 578 CD ARG A 37 9.533 -20.813 -15.052 1.00 4.13 C ATOM 579 NE ARG A 37 8.495 -21.511 -15.805 1.00 22.22 N ATOM 580 CZ ARG A 37 7.202 -21.451 -15.504 1.00 71.43 C ATOM 581 NH1 ARG A 37 6.791 -20.730 -14.470 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 6.318 -22.114 -16.238 1.00 43.33 N ATOM 0 H ARG A 37 10.196 -21.274 -10.858 1.00 74.25 H new ATOM 0 HA ARG A 37 11.544 -23.085 -12.508 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.065 -20.090 -12.657 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.838 -20.981 -13.953 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.689 -22.526 -13.767 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.989 -21.116 -12.997 1.00 1.44 H new ATOM 0 HD2 ARG A 37 9.249 -19.768 -14.926 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.463 -20.824 -15.621 1.00 4.13 H new ATOM 0 HE ARG A 37 8.778 -22.076 -16.606 1.00 22.22 H new ATOM 0 HH11 ARG A 37 7.468 -20.219 -13.903 1.00 64.15 H new ATOM 0 HH12 ARG A 37 5.798 -20.686 -14.242 1.00 64.15 H new ATOM 0 HH21 ARG A 37 6.631 -22.670 -17.034 1.00 43.33 H new ATOM 0 HH22 ARG A 37 5.326 -22.068 -16.007 1.00 43.33 H new ATOM 596 N ASN A 38 13.482 -21.174 -10.772 1.00 64.14 N ATOM 597 CA ASN A 38 14.869 -20.874 -10.435 1.00 2.44 C ATOM 598 C ASN A 38 15.561 -22.098 -9.844 1.00 62.25 C ATOM 599 O ASN A 38 16.649 -22.478 -10.277 1.00 62.41 O ATOM 600 CB ASN A 38 14.934 -19.710 -9.445 1.00 14.03 C ATOM 601 CG ASN A 38 14.487 -18.399 -10.062 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.184 -18.146 -10.033 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.304 -17.624 -10.560 1.00 43.51 N flip ATOM 0 H ASN A 38 12.801 -20.838 -10.091 1.00 64.14 H new ATOM 0 HA ASN A 38 15.388 -20.592 -11.351 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.306 -19.935 -8.583 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.955 -19.606 -9.078 1.00 14.03 H new ATOM 0 HD21 ASN A 38 16.296 -17.860 -10.560 1.00 43.51 H new ATOM 0 HD22 ASN A 38 14.988 -16.746 -10.973 1.00 43.51 H new ATOM 610 N PHE A 39 14.922 -22.712 -8.854 1.00 74.50 N ATOM 611 CA PHE A 39 15.477 -23.893 -8.203 1.00 13.22 C ATOM 612 C PHE A 39 14.399 -24.953 -7.988 1.00 13.23 C ATOM 613 O PHE A 39 14.023 -25.249 -6.854 1.00 12.23 O ATOM 614 CB PHE A 39 16.110 -23.514 -6.863 1.00 22.33 C ATOM 615 CG PHE A 39 17.292 -22.599 -6.996 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.525 -23.090 -7.397 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.173 -21.245 -6.720 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.615 -22.250 -7.520 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.260 -20.400 -6.842 1.00 73.20 C ATOM 620 CZ PHE A 39 19.481 -20.903 -7.244 1.00 41.30 C ATOM 0 H PHE A 39 14.020 -22.412 -8.485 1.00 74.50 H new ATOM 0 HA PHE A 39 16.246 -24.308 -8.855 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.357 -23.034 -6.238 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.420 -24.423 -6.347 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.635 -24.142 -7.616 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.220 -20.846 -6.406 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.570 -22.646 -7.831 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.154 -19.348 -6.623 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.331 -20.244 -7.343 1.00 41.30 H new ATOM 630 N ASN A 40 13.906 -25.518 -9.085 1.00 5.11 N ATOM 631 CA ASN A 40 12.871 -26.542 -9.017 1.00 31.44 C ATOM 632 C ASN A 40 13.461 -27.885 -8.597 1.00 13.21 C ATOM 633 O ASN A 40 12.998 -28.504 -7.640 1.00 10.21 O ATOM 634 CB ASN A 40 12.172 -26.681 -10.372 1.00 21.11 C ATOM 635 CG ASN A 40 13.155 -26.749 -11.524 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.754 -25.742 -11.904 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.325 -27.939 -12.088 1.00 33.42 N ATOM 0 H ASN A 40 14.207 -25.284 -10.031 1.00 5.11 H new ATOM 0 HA ASN A 40 12.141 -26.236 -8.268 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.556 -27.580 -10.370 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.501 -25.835 -10.520 1.00 21.11 H new ATOM 0 HD21 ASN A 40 13.973 -28.046 -12.869 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.808 -28.747 -11.741 1.00 33.42 H new ATOM 644 N GLN A 41 14.484 -28.328 -9.320 1.00 42.41 N ATOM 645 CA GLN A 41 15.138 -29.597 -9.022 1.00 32.21 C ATOM 646 C GLN A 41 16.278 -29.402 -8.029 1.00 10.23 C ATOM 647 O GLN A 41 17.069 -30.314 -7.790 1.00 2.54 O ATOM 648 CB GLN A 41 15.667 -30.237 -10.306 1.00 24.30 C ATOM 649 CG GLN A 41 16.678 -29.373 -11.044 1.00 23.03 C ATOM 650 CD GLN A 41 17.854 -30.172 -11.570 1.00 60.23 C ATOM 651 OE1 GLN A 41 19.007 -29.895 -11.237 1.00 25.31 O ATOM 652 NE2 GLN A 41 17.569 -31.171 -12.396 1.00 53.52 N ATOM 0 H GLN A 41 14.878 -27.827 -10.116 1.00 42.41 H new ATOM 0 HA GLN A 41 14.399 -30.260 -8.572 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.129 -31.194 -10.062 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.828 -30.448 -10.970 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.183 -28.871 -11.876 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.043 -28.595 -10.374 1.00 23.03 H new ATOM 0 HE21 GLN A 41 16.599 -31.366 -12.645 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.320 -31.744 -12.781 1.00 53.52 H new ATOM 661 N ALA A 42 16.357 -28.207 -7.453 1.00 53.10 N ATOM 662 CA ALA A 42 17.401 -27.892 -6.485 1.00 45.11 C ATOM 663 C ALA A 42 16.881 -28.022 -5.057 1.00 30.22 C ATOM 664 O ALA A 42 17.604 -28.461 -4.162 1.00 53.42 O ATOM 665 CB ALA A 42 17.941 -26.491 -6.727 1.00 52.01 C ATOM 0 H ALA A 42 15.710 -27.441 -7.640 1.00 53.10 H new ATOM 0 HA ALA A 42 18.212 -28.608 -6.616 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.720 -26.270 -5.997 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.358 -26.431 -7.732 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.133 -25.767 -6.626 1.00 52.01 H new ATOM 671 N GLN A 43 15.626 -27.638 -4.852 1.00 44.33 N ATOM 672 CA GLN A 43 15.011 -27.711 -3.531 1.00 63.21 C ATOM 673 C GLN A 43 13.556 -27.257 -3.582 1.00 62.24 C ATOM 674 O GLN A 43 13.195 -26.390 -4.377 1.00 74.55 O ATOM 675 CB GLN A 43 15.792 -26.852 -2.535 1.00 72.12 C ATOM 676 CG GLN A 43 15.087 -26.678 -1.198 1.00 43.55 C ATOM 677 CD GLN A 43 16.011 -26.161 -0.114 1.00 74.41 C ATOM 678 OE1 GLN A 43 17.230 -26.124 -0.287 1.00 53.02 O ATOM 679 NE2 GLN A 43 15.435 -25.757 1.012 1.00 50.05 N ATOM 0 H GLN A 43 15.015 -27.273 -5.583 1.00 44.33 H new ATOM 0 HA GLN A 43 15.036 -28.750 -3.202 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.769 -27.305 -2.365 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.968 -25.870 -2.974 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.253 -25.987 -1.319 1.00 43.55 H new ATOM 0 HG3 GLN A 43 14.667 -27.634 -0.886 1.00 43.55 H new ATOM 0 HE21 GLN A 43 14.421 -25.805 1.112 1.00 50.05 H new ATOM 0 HE22 GLN A 43 16.006 -25.398 1.777 1.00 50.05 H new ATOM 688 N ASN A 44 12.727 -27.847 -2.728 1.00 61.24 N ATOM 689 CA ASN A 44 11.311 -27.504 -2.677 1.00 5.03 C ATOM 690 C ASN A 44 11.112 -26.098 -2.120 1.00 45.14 C ATOM 691 O ASN A 44 12.077 -25.396 -1.818 1.00 15.42 O ATOM 692 CB ASN A 44 10.549 -28.516 -1.818 1.00 2.54 C ATOM 693 CG ASN A 44 11.030 -28.531 -0.380 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.911 -27.760 0.000 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.451 -29.412 0.428 1.00 2.43 N ATOM 0 H ASN A 44 13.011 -28.565 -2.062 1.00 61.24 H new ATOM 0 HA ASN A 44 10.920 -27.533 -3.694 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.485 -28.279 -1.840 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.663 -29.512 -2.247 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.733 -29.469 1.407 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.724 -30.032 0.070 1.00 2.43 H new ATOM 702 N VAL A 45 9.853 -25.692 -1.987 1.00 44.30 N ATOM 703 CA VAL A 45 9.527 -24.369 -1.465 1.00 71.11 C ATOM 704 C VAL A 45 8.023 -24.208 -1.282 1.00 24.13 C ATOM 705 O VAL A 45 7.230 -24.893 -1.929 1.00 24.45 O ATOM 706 CB VAL A 45 10.043 -23.256 -2.396 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.222 -23.206 -3.676 1.00 23.33 C ATOM 708 CG2 VAL A 45 10.016 -21.913 -1.684 1.00 21.34 C ATOM 0 H VAL A 45 9.042 -26.260 -2.233 1.00 44.30 H new ATOM 0 HA VAL A 45 10.020 -24.279 -0.497 1.00 71.11 H new ATOM 0 HB VAL A 45 11.076 -23.480 -2.664 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.602 -22.414 -4.321 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.297 -24.162 -4.194 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.179 -23.006 -3.432 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.384 -21.138 -2.356 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.994 -21.680 -1.386 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.651 -21.957 -0.799 1.00 21.34 H new ATOM 718 N ARG A 46 7.635 -23.296 -0.396 1.00 33.25 N ATOM 719 CA ARG A 46 6.224 -23.044 -0.127 1.00 13.25 C ATOM 720 C ARG A 46 5.962 -21.549 0.041 1.00 35.22 C ATOM 721 O ARG A 46 6.653 -20.868 0.798 1.00 45.34 O ATOM 722 CB ARG A 46 5.781 -23.794 1.131 1.00 60.23 C ATOM 723 CG ARG A 46 5.912 -25.304 1.016 1.00 34.50 C ATOM 724 CD ARG A 46 4.744 -25.909 0.253 1.00 54.54 C ATOM 725 NE ARG A 46 3.461 -25.590 0.874 1.00 74.02 N ATOM 726 CZ ARG A 46 2.290 -25.982 0.385 1.00 73.42 C ATOM 727 NH1 ARG A 46 2.241 -26.705 -0.726 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 1.165 -25.652 1.006 1.00 42.44 N ATOM 0 H ARG A 46 8.278 -22.720 0.147 1.00 33.25 H new ATOM 0 HA ARG A 46 5.647 -23.404 -0.979 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.375 -23.449 1.978 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.743 -23.543 1.347 1.00 60.23 H new ATOM 0 HG2 ARG A 46 6.845 -25.552 0.510 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.963 -25.743 2.013 1.00 34.50 H new ATOM 0 HD2 ARG A 46 4.752 -25.541 -0.773 1.00 54.54 H new ATOM 0 HD3 ARG A 46 4.864 -26.991 0.204 1.00 54.54 H new ATOM 0 HE ARG A 46 3.465 -25.036 1.730 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.104 -26.961 -1.206 1.00 53.11 H new ATOM 0 HH12 ARG A 46 1.341 -27.005 -1.100 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.198 -25.096 1.861 1.00 42.44 H new ATOM 0 HH22 ARG A 46 0.267 -25.954 0.629 1.00 42.44 H new ATOM 742 N VAL A 47 4.958 -21.047 -0.672 1.00 13.15 N ATOM 743 CA VAL A 47 4.603 -19.635 -0.602 1.00 40.55 C ATOM 744 C VAL A 47 3.304 -19.432 0.168 1.00 21.11 C ATOM 745 O VAL A 47 2.342 -20.181 -0.008 1.00 40.40 O ATOM 746 CB VAL A 47 4.456 -19.023 -2.008 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.043 -17.562 -1.914 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.751 -19.171 -2.792 1.00 3.11 C ATOM 0 H VAL A 47 4.377 -21.597 -1.304 1.00 13.15 H new ATOM 0 HA VAL A 47 5.414 -19.130 -0.078 1.00 40.55 H new ATOM 0 HB VAL A 47 3.673 -19.563 -2.540 1.00 43.43 H new ATOM 0 HG11 VAL A 47 3.944 -17.147 -2.917 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.088 -17.487 -1.394 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.801 -17.004 -1.363 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.629 -18.733 -3.783 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.556 -18.658 -2.265 1.00 3.11 H new ATOM 0 HG23 VAL A 47 5.998 -20.228 -2.891 1.00 3.11 H new ATOM 758 N ASP A 48 3.280 -18.413 1.021 1.00 31.11 N ATOM 759 CA ASP A 48 2.097 -18.110 1.817 1.00 72.44 C ATOM 760 C ASP A 48 1.664 -16.662 1.618 1.00 70.23 C ATOM 761 O ASP A 48 2.281 -15.739 2.152 1.00 21.40 O ATOM 762 CB ASP A 48 2.372 -18.374 3.299 1.00 33.25 C ATOM 763 CG ASP A 48 1.885 -19.738 3.744 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.669 -20.001 3.632 1.00 32.52 O1- ATOM 765 OD2 ASP A 48 2.719 -20.545 4.207 1.00 23.12 O ATOM 0 H ASP A 48 4.067 -17.783 1.178 1.00 31.11 H new ATOM 0 HA ASP A 48 1.289 -18.761 1.483 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.443 -18.295 3.487 1.00 33.25 H new ATOM 0 HB3 ASP A 48 1.886 -17.604 3.898 1.00 33.25 H new ATOM 770 N LEU A 49 0.601 -16.468 0.845 1.00 24.33 N ATOM 771 CA LEU A 49 0.085 -15.131 0.573 1.00 74.30 C ATOM 772 C LEU A 49 -0.822 -14.657 1.704 1.00 41.23 C ATOM 773 O LEU A 49 -1.590 -15.437 2.264 1.00 13.24 O ATOM 774 CB LEU A 49 -0.681 -15.117 -0.750 1.00 25.14 C ATOM 775 CG LEU A 49 -1.164 -13.750 -1.233 1.00 4.23 C ATOM 776 CD1 LEU A 49 -1.016 -13.632 -2.742 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.610 -13.517 -0.818 1.00 21.20 C ATOM 0 H LEU A 49 0.079 -17.220 0.395 1.00 24.33 H new ATOM 0 HA LEU A 49 0.933 -14.449 0.501 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.042 -15.547 -1.521 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.547 -15.772 -0.652 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.545 -12.984 -0.767 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -1.365 -12.652 -3.066 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.032 -13.752 -3.015 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -1.609 -14.407 -3.227 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.937 -12.539 -1.171 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -3.243 -14.290 -1.254 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -2.687 -13.555 0.269 1.00 21.20 H new ATOM 789 N ASN A 50 -0.728 -13.373 2.033 1.00 2.14 N ATOM 790 CA ASN A 50 -1.541 -12.794 3.095 1.00 51.24 C ATOM 791 C ASN A 50 -2.447 -11.695 2.549 1.00 73.32 C ATOM 792 O ASN A 50 -2.015 -10.557 2.358 1.00 30.13 O ATOM 793 CB ASN A 50 -0.647 -12.230 4.202 1.00 23.52 C ATOM 794 CG ASN A 50 -0.073 -13.317 5.090 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.005 -14.481 4.695 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.332 -12.942 6.298 1.00 44.50 N ATOM 0 H ASN A 50 -0.096 -12.713 1.579 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.167 -13.584 3.510 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.168 -11.663 3.753 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.223 -11.533 4.811 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.726 -13.630 6.940 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.249 -11.966 6.584 1.00 44.50 H new ATOM 803 N ARG A 51 -3.706 -12.042 2.300 1.00 0.13 N ATOM 804 CA ARG A 51 -4.673 -11.084 1.776 1.00 51.01 C ATOM 805 C ARG A 51 -5.017 -10.030 2.824 1.00 31.24 C ATOM 806 O ARG A 51 -5.648 -9.019 2.517 1.00 2.24 O ATOM 807 CB ARG A 51 -5.944 -11.806 1.326 1.00 21.12 C ATOM 808 CG ARG A 51 -6.667 -12.525 2.454 1.00 33.14 C ATOM 809 CD ARG A 51 -8.109 -12.834 2.083 1.00 3.53 C ATOM 810 NE ARG A 51 -8.795 -13.588 3.129 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.115 -13.719 3.196 1.00 72.34 C ATOM 812 NH1 ARG A 51 -10.888 -13.151 2.282 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -10.664 -14.420 4.179 1.00 73.32 N ATOM 0 H ARG A 51 -4.080 -12.979 2.453 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.224 -10.584 0.918 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.622 -11.082 0.874 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.687 -12.529 0.552 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.144 -13.452 2.690 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.645 -11.909 3.353 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.643 -11.902 1.899 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.130 -13.403 1.153 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.229 -14.039 3.848 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -10.470 -12.611 1.524 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.901 -13.253 2.336 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.072 -14.859 4.884 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -11.678 -14.520 4.230 1.00 73.32 H new ATOM 827 N GLU A 52 -4.597 -10.273 4.062 1.00 34.15 N ATOM 828 CA GLU A 52 -4.863 -9.346 5.154 1.00 24.22 C ATOM 829 C GLU A 52 -4.055 -8.062 4.986 1.00 0.20 C ATOM 830 O GLU A 52 -4.558 -6.962 5.222 1.00 22.35 O ATOM 831 CB GLU A 52 -4.533 -9.997 6.499 1.00 52.12 C ATOM 832 CG GLU A 52 -3.105 -10.506 6.594 1.00 75.31 C ATOM 833 CD GLU A 52 -2.822 -11.210 7.907 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.259 -12.370 8.063 1.00 11.41 O ATOM 835 OE2 GLU A 52 -2.166 -10.603 8.777 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.071 -11.104 4.333 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.923 -9.094 5.132 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.706 -9.273 7.296 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.218 -10.828 6.669 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.912 -11.192 5.769 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.417 -9.669 6.479 1.00 75.31 H new ATOM 842 N THR A 53 -2.799 -8.210 4.578 1.00 23.40 N ATOM 843 CA THR A 53 -1.919 -7.065 4.381 1.00 34.31 C ATOM 844 C THR A 53 -1.310 -7.074 2.983 1.00 54.44 C ATOM 845 O THR A 53 -0.324 -6.387 2.720 1.00 31.00 O ATOM 846 CB THR A 53 -0.785 -7.042 5.422 1.00 73.11 C ATOM 847 OG1 THR A 53 0.090 -8.157 5.220 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.346 -7.082 6.835 1.00 32.42 C ATOM 0 H THR A 53 -2.368 -9.112 4.377 1.00 23.40 H new ATOM 0 HA THR A 53 -2.531 -6.171 4.502 1.00 34.31 H new ATOM 0 HB THR A 53 -0.226 -6.115 5.296 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.809 -8.133 5.885 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.526 -7.065 7.553 1.00 32.42 H new ATOM 0 HG22 THR A 53 -1.988 -6.216 6.996 1.00 32.42 H new ATOM 0 HG23 THR A 53 -1.927 -7.994 6.970 1.00 32.42 H new ATOM 856 N GLY A 54 -1.905 -7.857 2.089 1.00 23.41 N ATOM 857 CA GLY A 54 -1.408 -7.939 0.728 1.00 44.31 C ATOM 858 C GLY A 54 0.071 -8.270 0.670 1.00 5.13 C ATOM 859 O GLY A 54 0.751 -7.934 -0.299 1.00 74.51 O ATOM 0 H GLY A 54 -2.722 -8.436 2.283 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.969 -8.699 0.185 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.585 -6.990 0.222 1.00 44.31 H new ATOM 863 N SER A 55 0.569 -8.929 1.711 1.00 33.40 N ATOM 864 CA SER A 55 1.978 -9.300 1.778 1.00 75.11 C ATOM 865 C SER A 55 2.183 -10.739 1.317 1.00 63.23 C ATOM 866 O SER A 55 1.220 -11.470 1.084 1.00 45.55 O ATOM 867 CB SER A 55 2.505 -9.128 3.204 1.00 55.25 C ATOM 868 OG SER A 55 3.783 -8.517 3.205 1.00 71.01 O ATOM 0 H SER A 55 0.018 -9.217 2.520 1.00 33.40 H new ATOM 0 HA SER A 55 2.534 -8.641 1.111 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.808 -8.521 3.782 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.563 -10.100 3.693 1.00 55.25 H new ATOM 0 HG SER A 55 4.028 -8.272 4.122 1.00 71.01 H new ATOM 874 N ILE A 56 3.444 -11.138 1.187 1.00 3.53 N ATOM 875 CA ILE A 56 3.775 -12.491 0.755 1.00 74.13 C ATOM 876 C ILE A 56 5.103 -12.947 1.351 1.00 0.40 C ATOM 877 O ILE A 56 6.018 -12.146 1.541 1.00 42.33 O ATOM 878 CB ILE A 56 3.855 -12.587 -0.779 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.665 -14.037 -1.231 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.185 -12.042 -1.277 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.265 -14.339 -1.719 1.00 3.04 C ATOM 0 H ILE A 56 4.252 -10.545 1.374 1.00 3.53 H new ATOM 0 HA ILE A 56 2.976 -13.142 1.111 1.00 74.13 H new ATOM 0 HB ILE A 56 3.055 -11.983 -1.208 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.374 -14.256 -2.029 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.903 -14.702 -0.401 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.225 -12.117 -2.364 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.284 -10.997 -0.982 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.001 -12.620 -0.843 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.203 -15.384 -2.023 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.552 -14.152 -0.916 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.030 -13.699 -2.570 1.00 3.04 H new ATOM 893 N ARG A 57 5.200 -14.240 1.643 1.00 32.14 N ATOM 894 CA ARG A 57 6.416 -14.805 2.217 1.00 64.45 C ATOM 895 C ARG A 57 6.685 -16.199 1.657 1.00 32.01 C ATOM 896 O ARG A 57 5.808 -17.063 1.666 1.00 32.22 O ATOM 897 CB ARG A 57 6.304 -14.868 3.741 1.00 61.04 C ATOM 898 CG ARG A 57 6.171 -13.504 4.399 1.00 70.51 C ATOM 899 CD ARG A 57 7.490 -12.745 4.381 1.00 15.33 C ATOM 900 NE ARG A 57 7.586 -11.791 5.482 1.00 71.31 N ATOM 901 CZ ARG A 57 6.963 -10.617 5.493 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.202 -10.257 4.469 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 7.100 -9.802 6.532 1.00 34.43 N ATOM 0 H ARG A 57 4.451 -14.916 1.492 1.00 32.14 H new ATOM 0 HA ARG A 57 7.250 -14.157 1.948 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.440 -15.477 4.008 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.185 -15.371 4.141 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.408 -12.922 3.882 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.835 -13.627 5.429 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.317 -13.453 4.441 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.591 -12.216 3.433 1.00 15.33 H new ATOM 0 HE ARG A 57 8.162 -12.039 6.286 1.00 71.31 H new ATOM 0 HH11 ARG A 57 6.093 -10.882 3.670 1.00 34.40 H new ATOM 0 HH12 ARG A 57 5.725 -9.355 4.480 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.684 -10.077 7.322 1.00 34.43 H new ATOM 0 HH22 ARG A 57 6.622 -8.901 6.540 1.00 34.43 H new ATOM 917 N VAL A 58 7.904 -16.410 1.171 1.00 42.34 N ATOM 918 CA VAL A 58 8.288 -17.700 0.608 1.00 43.54 C ATOM 919 C VAL A 58 9.305 -18.406 1.499 1.00 10.15 C ATOM 920 O VAL A 58 10.400 -17.895 1.736 1.00 73.04 O ATOM 921 CB VAL A 58 8.882 -17.540 -0.804 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.022 -18.895 -1.481 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.023 -16.604 -1.640 1.00 4.35 C ATOM 0 H VAL A 58 8.642 -15.706 1.156 1.00 42.34 H new ATOM 0 HA VAL A 58 7.382 -18.303 0.547 1.00 43.54 H new ATOM 0 HB VAL A 58 9.876 -17.101 -0.714 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.443 -18.762 -2.478 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.682 -19.531 -0.890 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.042 -19.365 -1.561 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.457 -16.502 -2.635 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.016 -17.012 -1.724 1.00 4.35 H new ATOM 0 HG23 VAL A 58 7.979 -15.626 -1.162 1.00 4.35 H new ATOM 933 N PHE A 59 8.935 -19.585 1.988 1.00 1.31 N ATOM 934 CA PHE A 59 9.815 -20.362 2.853 1.00 44.44 C ATOM 935 C PHE A 59 10.173 -21.698 2.206 1.00 1.24 C ATOM 936 O PHE A 59 9.443 -22.201 1.352 1.00 3.23 O ATOM 937 CB PHE A 59 9.150 -20.603 4.209 1.00 43.13 C ATOM 938 CG PHE A 59 8.638 -19.347 4.857 1.00 34.01 C ATOM 939 CD1 PHE A 59 7.368 -18.872 4.570 1.00 45.01 C ATOM 940 CD2 PHE A 59 9.427 -18.643 5.752 1.00 52.45 C ATOM 941 CE1 PHE A 59 6.894 -17.717 5.164 1.00 52.11 C ATOM 942 CE2 PHE A 59 8.958 -17.488 6.349 1.00 33.32 C ATOM 943 CZ PHE A 59 7.691 -17.024 6.054 1.00 33.22 C ATOM 0 H PHE A 59 8.033 -20.023 1.800 1.00 1.31 H new ATOM 0 HA PHE A 59 10.732 -19.792 3.002 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.322 -21.300 4.080 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.867 -21.081 4.877 1.00 43.13 H new ATOM 0 HD1 PHE A 59 6.741 -19.410 3.874 1.00 45.01 H new ATOM 0 HD2 PHE A 59 10.419 -19.000 5.986 1.00 52.45 H new ATOM 0 HE1 PHE A 59 5.902 -17.357 4.932 1.00 52.11 H new ATOM 0 HE2 PHE A 59 9.582 -16.948 7.046 1.00 33.32 H new ATOM 0 HZ PHE A 59 7.324 -16.121 6.519 1.00 33.22 H new ATOM 953 N ALA A 60 11.300 -22.265 2.619 1.00 64.33 N ATOM 954 CA ALA A 60 11.755 -23.542 2.082 1.00 61.55 C ATOM 955 C ALA A 60 11.623 -24.652 3.119 1.00 45.11 C ATOM 956 O ALA A 60 12.152 -24.547 4.225 1.00 31.21 O ATOM 957 CB ALA A 60 13.196 -23.431 1.605 1.00 21.41 C ATOM 0 H ALA A 60 11.916 -21.861 3.324 1.00 64.33 H new ATOM 0 HA ALA A 60 11.121 -23.797 1.233 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.522 -24.392 1.207 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.264 -22.673 0.825 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.835 -23.149 2.441 1.00 21.41 H new ATOM 963 N ARG A 61 10.913 -25.714 2.753 1.00 41.23 N ATOM 964 CA ARG A 61 10.710 -26.844 3.653 1.00 72.14 C ATOM 965 C ARG A 61 11.896 -27.801 3.600 1.00 20.13 C ATOM 966 O ARG A 61 12.318 -28.226 2.525 1.00 1.01 O ATOM 967 CB ARG A 61 9.424 -27.588 3.289 1.00 64.24 C ATOM 968 CG ARG A 61 8.704 -28.183 4.489 1.00 32.03 C ATOM 969 CD ARG A 61 7.505 -29.016 4.062 1.00 70.43 C ATOM 970 NE ARG A 61 6.405 -28.184 3.581 1.00 4.21 N ATOM 971 CZ ARG A 61 5.262 -28.674 3.118 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.068 -29.985 3.071 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 4.308 -27.852 2.698 1.00 24.30 N ATOM 0 H ARG A 61 10.469 -25.816 1.840 1.00 41.23 H new ATOM 0 HA ARG A 61 10.623 -26.457 4.668 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.750 -26.902 2.775 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.663 -28.386 2.586 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.396 -28.804 5.059 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.375 -27.382 5.151 1.00 32.03 H new ATOM 0 HD2 ARG A 61 7.806 -29.709 3.276 1.00 70.43 H new ATOM 0 HD3 ARG A 61 7.163 -29.618 4.904 1.00 70.43 H new ATOM 0 HE ARG A 61 6.522 -27.171 3.602 1.00 4.21 H new ATOM 0 HH11 ARG A 61 5.799 -30.620 3.391 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.188 -30.358 2.714 1.00 71.04 H new ATOM 0 HH21 ARG A 61 4.453 -26.843 2.731 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.430 -28.229 2.342 1.00 24.30 H new ATOM 987 N LYS A 62 12.431 -28.136 4.770 1.00 10.33 N ATOM 988 CA LYS A 62 13.570 -29.044 4.859 1.00 21.43 C ATOM 989 C LYS A 62 13.238 -30.248 5.733 1.00 75.40 C ATOM 990 O LYS A 62 12.668 -30.104 6.815 1.00 2.42 O ATOM 991 CB LYS A 62 14.790 -28.312 5.422 1.00 43.22 C ATOM 992 CG LYS A 62 15.601 -27.580 4.366 1.00 41.54 C ATOM 993 CD LYS A 62 16.589 -26.612 4.994 1.00 43.23 C ATOM 994 CE LYS A 62 17.875 -26.526 4.186 1.00 43.44 C ATOM 995 NZ LYS A 62 17.929 -25.289 3.359 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.094 -27.793 5.670 1.00 10.33 H new ATOM 0 HA LYS A 62 13.799 -29.399 3.854 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.459 -27.596 6.174 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.433 -29.032 5.928 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.139 -28.303 3.753 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.929 -27.036 3.702 1.00 41.54 H new ATOM 0 HD2 LYS A 62 16.136 -25.623 5.065 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.817 -26.932 6.011 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.730 -26.549 4.861 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.956 -27.399 3.539 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 18.158 -25.539 2.376 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 17.006 -24.811 3.389 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.661 -24.652 3.734 1.00 24.24 H new ATOM 1009 N ASP A 63 13.598 -31.436 5.260 1.00 23.54 N ATOM 1010 CA ASP A 63 13.341 -32.665 6.001 1.00 42.41 C ATOM 1011 C ASP A 63 14.270 -32.778 7.205 1.00 73.33 C ATOM 1012 O ASP A 63 15.484 -32.920 7.056 1.00 62.32 O ATOM 1013 CB ASP A 63 13.517 -33.881 5.090 1.00 73.01 C ATOM 1014 CG ASP A 63 12.350 -34.845 5.181 1.00 64.14 C ATOM 1015 OD1 ASP A 63 12.360 -35.704 6.088 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.429 -34.742 4.345 1.00 60.22 O1- ATOM 0 H ASP A 63 14.069 -31.574 4.366 1.00 23.54 H new ATOM 0 HA ASP A 63 12.312 -32.635 6.360 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.628 -33.546 4.059 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.437 -34.402 5.357 1.00 73.01 H new ATOM 1021 N VAL A 64 13.692 -32.713 8.401 1.00 22.25 N ATOM 1022 CA VAL A 64 14.468 -32.808 9.631 1.00 63.30 C ATOM 1023 C VAL A 64 14.955 -34.234 9.865 1.00 51.12 C ATOM 1024 O VAL A 64 14.161 -35.139 10.120 1.00 75.14 O ATOM 1025 CB VAL A 64 13.644 -32.352 10.851 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.523 -32.274 12.090 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.980 -31.012 10.573 1.00 14.04 C ATOM 0 H VAL A 64 12.689 -32.595 8.543 1.00 22.25 H new ATOM 0 HA VAL A 64 15.328 -32.148 9.515 1.00 63.30 H new ATOM 0 HB VAL A 64 12.862 -33.088 11.036 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.924 -31.950 12.941 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.947 -33.256 12.297 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.328 -31.559 11.920 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.402 -30.705 11.445 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.744 -30.264 10.362 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.317 -31.106 9.713 1.00 14.04 H new ATOM 1037 N VAL A 65 16.267 -34.427 9.778 1.00 11.54 N ATOM 1038 CA VAL A 65 16.862 -35.742 9.981 1.00 13.21 C ATOM 1039 C VAL A 65 18.172 -35.640 10.755 1.00 31.21 C ATOM 1040 O VAL A 65 18.895 -34.650 10.642 1.00 25.11 O ATOM 1041 CB VAL A 65 17.125 -36.453 8.640 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.813 -36.862 7.987 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.936 -35.560 7.714 1.00 31.51 C ATOM 0 H VAL A 65 16.939 -33.689 9.568 1.00 11.54 H new ATOM 0 HA VAL A 65 16.146 -36.326 10.559 1.00 13.21 H new ATOM 0 HB VAL A 65 17.704 -37.356 8.834 1.00 54.34 H new ATOM 0 HG11 VAL A 65 16.018 -37.363 7.041 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.274 -37.541 8.648 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.206 -35.976 7.804 1.00 54.12 H new ATOM 0 HG21 VAL A 65 18.113 -36.078 6.771 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.386 -34.638 7.524 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.891 -35.323 8.182 1.00 31.51 H new ATOM 1053 N ASP A 66 18.470 -36.668 11.540 1.00 62.52 N ATOM 1054 CA ASP A 66 19.695 -36.695 12.332 1.00 23.33 C ATOM 1055 C ASP A 66 20.921 -36.516 11.443 1.00 21.04 C ATOM 1056 O ASP A 66 21.960 -36.034 11.893 1.00 0.24 O ATOM 1057 CB ASP A 66 19.798 -38.011 13.106 1.00 11.32 C ATOM 1058 CG ASP A 66 21.124 -38.156 13.825 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.655 -37.132 14.302 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.631 -39.294 13.913 1.00 32.13 O ATOM 0 H ASP A 66 17.881 -37.494 11.646 1.00 62.52 H new ATOM 0 HA ASP A 66 19.659 -35.867 13.041 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.986 -38.067 13.831 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.668 -38.846 12.417 1.00 11.32 H new ATOM 1065 N GLU A 67 20.792 -36.908 10.179 1.00 15.03 N ATOM 1066 CA GLU A 67 21.891 -36.792 9.229 1.00 31.11 C ATOM 1067 C GLU A 67 21.369 -36.491 7.826 1.00 50.23 C ATOM 1068 O GLU A 67 20.381 -37.078 7.380 1.00 63.43 O ATOM 1069 CB GLU A 67 22.718 -38.080 9.210 1.00 55.42 C ATOM 1070 CG GLU A 67 23.390 -38.389 10.538 1.00 72.25 C ATOM 1071 CD GLU A 67 24.209 -39.665 10.494 1.00 31.21 C ATOM 1072 OE1 GLU A 67 23.714 -40.668 9.937 1.00 71.05 O ATOM 1073 OE2 GLU A 67 25.343 -39.661 11.015 1.00 25.33 O1- ATOM 0 H GLU A 67 19.938 -37.308 9.790 1.00 15.03 H new ATOM 0 HA GLU A 67 22.526 -35.965 9.548 1.00 31.11 H new ATOM 0 HB2 GLU A 67 22.071 -38.914 8.937 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.481 -38.001 8.436 1.00 55.42 H new ATOM 0 HG2 GLU A 67 24.036 -37.556 10.817 1.00 72.25 H new ATOM 0 HG3 GLU A 67 22.630 -38.476 11.314 1.00 72.25 H new ATOM 1080 N VAL A 68 22.037 -35.573 7.136 1.00 15.43 N ATOM 1081 CA VAL A 68 21.642 -35.195 5.785 1.00 65.11 C ATOM 1082 C VAL A 68 21.526 -36.418 4.883 1.00 4.00 C ATOM 1083 O VAL A 68 22.498 -37.143 4.674 1.00 42.11 O ATOM 1084 CB VAL A 68 22.645 -34.205 5.163 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.252 -33.875 3.731 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.737 -32.941 6.004 1.00 63.52 C ATOM 0 H VAL A 68 22.855 -35.077 7.491 1.00 15.43 H new ATOM 0 HA VAL A 68 20.668 -34.712 5.864 1.00 65.11 H new ATOM 0 HB VAL A 68 23.629 -34.675 5.145 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.972 -33.174 3.308 1.00 71.34 H new ATOM 0 HG12 VAL A 68 22.243 -34.789 3.137 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.259 -33.425 3.721 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.450 -32.253 5.550 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.757 -32.466 6.056 1.00 63.52 H new ATOM 0 HG23 VAL A 68 23.070 -33.197 7.010 1.00 63.52 H new ATOM 1096 N TYR A 69 20.330 -36.641 4.349 1.00 32.10 N ATOM 1097 CA TYR A 69 20.085 -37.778 3.470 1.00 32.14 C ATOM 1098 C TYR A 69 19.709 -37.312 2.067 1.00 61.22 C ATOM 1099 O TYR A 69 19.916 -38.026 1.087 1.00 10.20 O ATOM 1100 CB TYR A 69 18.974 -38.661 4.041 1.00 62.24 C ATOM 1101 CG TYR A 69 19.486 -39.827 4.855 1.00 44.51 C ATOM 1102 CD1 TYR A 69 20.026 -40.948 4.238 1.00 73.44 C ATOM 1103 CD2 TYR A 69 19.431 -39.808 6.243 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.494 -42.016 4.978 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.897 -40.871 6.992 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.427 -41.973 6.355 1.00 34.24 C ATOM 1107 OH TYR A 69 20.894 -43.035 7.097 1.00 60.13 O ATOM 0 H TYR A 69 19.515 -36.049 4.510 1.00 32.10 H new ATOM 0 HA TYR A 69 21.005 -38.359 3.405 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.322 -38.051 4.666 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.365 -39.041 3.220 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.081 -40.985 3.160 1.00 73.44 H new ATOM 0 HD2 TYR A 69 19.016 -38.947 6.746 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.910 -42.880 4.481 1.00 1.01 H new ATOM 0 HE2 TYR A 69 19.846 -40.839 8.070 1.00 60.10 H new ATOM 0 HH TYR A 69 20.775 -42.845 8.051 1.00 60.13 H new ATOM 1117 N ASP A 70 19.157 -36.107 1.980 1.00 20.02 N ATOM 1118 CA ASP A 70 18.753 -35.541 0.698 1.00 33.31 C ATOM 1119 C ASP A 70 19.537 -34.269 0.394 1.00 24.14 C ATOM 1120 O ASP A 70 19.221 -33.196 0.907 1.00 24.10 O ATOM 1121 CB ASP A 70 17.253 -35.242 0.698 1.00 13.03 C ATOM 1122 CG ASP A 70 16.434 -36.388 0.140 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.597 -36.707 -1.057 1.00 60.34 O ATOM 1124 OD2 ASP A 70 15.630 -36.969 0.899 1.00 62.25 O1- ATOM 0 H ASP A 70 18.979 -35.503 2.782 1.00 20.02 H new ATOM 0 HA ASP A 70 18.970 -36.274 -0.079 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.928 -35.029 1.716 1.00 13.03 H new ATOM 0 HB3 ASP A 70 17.065 -34.344 0.109 1.00 13.03 H new ATOM 1129 N GLN A 71 20.562 -34.398 -0.444 1.00 45.13 N ATOM 1130 CA GLN A 71 21.392 -33.258 -0.815 1.00 73.34 C ATOM 1131 C GLN A 71 20.547 -32.143 -1.423 1.00 44.25 C ATOM 1132 O GLN A 71 20.927 -30.973 -1.384 1.00 55.10 O ATOM 1133 CB GLN A 71 22.476 -33.691 -1.805 1.00 71.25 C ATOM 1134 CG GLN A 71 23.692 -32.779 -1.813 1.00 52.44 C ATOM 1135 CD GLN A 71 24.317 -32.628 -0.440 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.885 -33.575 0.103 1.00 34.54 O ATOM 1137 NE2 GLN A 71 24.217 -31.432 0.128 1.00 51.40 N ATOM 0 H GLN A 71 20.837 -35.279 -0.878 1.00 45.13 H new ATOM 0 HA GLN A 71 21.866 -32.876 0.089 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.794 -34.705 -1.562 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.049 -33.722 -2.807 1.00 71.25 H new ATOM 0 HG2 GLN A 71 24.435 -33.176 -2.505 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.402 -31.797 -2.186 1.00 52.44 H new ATOM 0 HE21 GLN A 71 23.737 -30.675 -0.359 1.00 51.40 H new ATOM 0 HE22 GLN A 71 24.620 -31.270 1.051 1.00 51.40 H new ATOM 1146 N ARG A 72 19.401 -32.515 -1.983 1.00 4.45 N ATOM 1147 CA ARG A 72 18.503 -31.546 -2.599 1.00 31.14 C ATOM 1148 C ARG A 72 17.895 -30.621 -1.548 1.00 3.13 C ATOM 1149 O ARG A 72 17.796 -29.411 -1.754 1.00 25.45 O ATOM 1150 CB ARG A 72 17.391 -32.265 -3.365 1.00 14.31 C ATOM 1151 CG ARG A 72 16.579 -33.222 -2.507 1.00 43.23 C ATOM 1152 CD ARG A 72 15.604 -34.032 -3.345 1.00 44.31 C ATOM 1153 NE ARG A 72 16.253 -35.169 -3.993 1.00 31.03 N ATOM 1154 CZ ARG A 72 15.679 -35.899 -4.944 1.00 1.35 C ATOM 1155 NH1 ARG A 72 14.451 -35.612 -5.353 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 16.334 -36.917 -5.486 1.00 72.31 N ATOM 0 H ARG A 72 19.073 -33.480 -2.023 1.00 4.45 H new ATOM 0 HA ARG A 72 19.084 -30.942 -3.296 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.721 -31.522 -3.799 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.832 -32.819 -4.194 1.00 14.31 H new ATOM 0 HG2 ARG A 72 17.251 -33.896 -1.976 1.00 43.23 H new ATOM 0 HG3 ARG A 72 16.031 -32.659 -1.752 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.792 -34.390 -2.712 1.00 44.31 H new ATOM 0 HD3 ARG A 72 15.157 -33.389 -4.103 1.00 44.31 H new ATOM 0 HE ARG A 72 17.198 -35.416 -3.700 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.945 -34.830 -4.938 1.00 20.14 H new ATOM 0 HH12 ARG A 72 14.012 -36.173 -6.083 1.00 20.14 H new ATOM 0 HH21 ARG A 72 17.279 -37.140 -5.173 1.00 72.31 H new ATOM 0 HH22 ARG A 72 15.893 -37.477 -6.216 1.00 72.31 H new ATOM 1170 N LEU A 73 17.490 -31.199 -0.423 1.00 3.20 N ATOM 1171 CA LEU A 73 16.892 -30.427 0.661 1.00 51.45 C ATOM 1172 C LEU A 73 16.832 -31.249 1.945 1.00 42.22 C ATOM 1173 O LEU A 73 16.212 -32.311 1.984 1.00 32.31 O ATOM 1174 CB LEU A 73 15.486 -29.966 0.269 1.00 24.54 C ATOM 1175 CG LEU A 73 14.446 -31.071 0.085 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.530 -31.150 1.296 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.638 -30.835 -1.183 1.00 14.14 C ATOM 0 H LEU A 73 17.565 -32.199 -0.237 1.00 3.20 H new ATOM 0 HA LEU A 73 17.517 -29.552 0.841 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.125 -29.278 1.033 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.556 -29.402 -0.661 1.00 24.54 H new ATOM 0 HG LEU A 73 14.968 -32.023 -0.011 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.797 -31.942 1.146 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.121 -31.366 2.186 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.015 -30.198 1.425 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.902 -31.631 -1.299 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.127 -29.875 -1.115 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.306 -30.830 -2.044 1.00 14.14 H new ATOM 1189 N GLU A 74 17.478 -30.747 2.993 1.00 52.14 N ATOM 1190 CA GLU A 74 17.496 -31.434 4.279 1.00 53.33 C ATOM 1191 C GLU A 74 17.938 -30.492 5.394 1.00 31.14 C ATOM 1192 O GLU A 74 18.478 -29.416 5.133 1.00 54.40 O ATOM 1193 CB GLU A 74 18.427 -32.646 4.221 1.00 34.50 C ATOM 1194 CG GLU A 74 17.922 -33.841 5.013 1.00 5.55 C ATOM 1195 CD GLU A 74 17.037 -34.755 4.190 1.00 50.11 C ATOM 1196 OE1 GLU A 74 16.008 -34.274 3.671 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.372 -35.952 4.064 1.00 54.12 O1- ATOM 0 H GLU A 74 17.995 -29.868 2.977 1.00 52.14 H new ATOM 0 HA GLU A 74 16.483 -31.773 4.495 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.561 -32.941 3.180 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.408 -32.358 4.599 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.773 -34.408 5.390 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.365 -33.488 5.881 1.00 5.55 H new ATOM 1204 N ILE A 75 17.705 -30.903 6.635 1.00 62.14 N ATOM 1205 CA ILE A 75 18.080 -30.095 7.790 1.00 30.31 C ATOM 1206 C ILE A 75 18.398 -30.973 8.995 1.00 75.04 C ATOM 1207 O ILE A 75 17.594 -31.818 9.390 1.00 14.04 O ATOM 1208 CB ILE A 75 16.963 -29.104 8.171 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.352 -28.324 9.429 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.651 -29.843 8.383 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.105 -26.836 9.315 1.00 31.35 C ATOM 0 H ILE A 75 17.259 -31.790 6.867 1.00 62.14 H new ATOM 0 HA ILE A 75 18.971 -29.534 7.507 1.00 30.31 H new ATOM 0 HB ILE A 75 16.830 -28.395 7.354 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.790 -28.714 10.277 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.408 -28.494 9.641 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.871 -29.130 8.652 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.371 -30.358 7.464 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.769 -30.571 9.186 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.403 -26.346 10.242 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.688 -26.433 8.487 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.045 -26.656 9.134 1.00 31.35 H new ATOM 1223 N SER A 76 19.575 -30.767 9.577 1.00 72.03 N ATOM 1224 CA SER A 76 20.001 -31.541 10.737 1.00 2.32 C ATOM 1225 C SER A 76 19.126 -31.232 11.947 1.00 11.44 C ATOM 1226 O SER A 76 18.769 -30.079 12.190 1.00 13.53 O ATOM 1227 CB SER A 76 21.466 -31.247 11.063 1.00 63.42 C ATOM 1228 OG SER A 76 21.627 -29.920 11.535 1.00 63.00 O ATOM 0 H SER A 76 20.251 -30.070 9.264 1.00 72.03 H new ATOM 0 HA SER A 76 19.896 -32.599 10.496 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.822 -31.950 11.816 1.00 63.42 H new ATOM 0 HB3 SER A 76 22.077 -31.396 10.173 1.00 63.42 H new ATOM 0 HG SER A 76 22.352 -29.483 11.041 1.00 63.00 H new ATOM 1234 N ILE A 77 18.785 -32.270 12.703 1.00 32.21 N ATOM 1235 CA ILE A 77 17.953 -32.110 13.889 1.00 42.24 C ATOM 1236 C ILE A 77 18.498 -31.015 14.800 1.00 3.30 C ATOM 1237 O ILE A 77 17.738 -30.296 15.447 1.00 62.34 O ATOM 1238 CB ILE A 77 17.851 -33.423 14.688 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.931 -33.241 15.897 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.232 -33.882 15.130 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.505 -32.902 15.525 1.00 2.10 C ATOM 0 H ILE A 77 19.072 -33.231 12.515 1.00 32.21 H new ATOM 0 HA ILE A 77 16.959 -31.829 13.540 1.00 42.24 H new ATOM 0 HB ILE A 77 17.423 -34.191 14.043 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.936 -34.157 16.488 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.330 -32.450 16.532 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.144 -34.811 15.693 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.858 -34.047 14.253 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.685 -33.117 15.760 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.910 -32.787 16.431 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.488 -31.970 14.960 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.088 -33.704 14.916 1.00 2.10 H new ATOM 1253 N GLU A 78 19.822 -30.894 14.844 1.00 30.11 N ATOM 1254 CA GLU A 78 20.468 -29.886 15.674 1.00 0.34 C ATOM 1255 C GLU A 78 20.274 -28.491 15.088 1.00 42.21 C ATOM 1256 O GLU A 78 20.059 -27.525 15.818 1.00 45.21 O ATOM 1257 CB GLU A 78 21.962 -30.190 15.813 1.00 12.10 C ATOM 1258 CG GLU A 78 22.706 -30.205 14.487 1.00 52.02 C ATOM 1259 CD GLU A 78 24.152 -30.636 14.636 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.388 -31.804 15.007 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.047 -29.804 14.380 1.00 44.14 O ATOM 0 H GLU A 78 20.466 -31.481 14.315 1.00 30.11 H new ATOM 0 HA GLU A 78 20.005 -29.913 16.660 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.416 -29.445 16.467 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.084 -31.158 16.299 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.199 -30.880 13.797 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.671 -29.210 14.043 1.00 52.02 H new ATOM 1268 N GLU A 79 20.354 -28.395 13.764 1.00 34.12 N ATOM 1269 CA GLU A 79 20.187 -27.118 13.080 1.00 41.22 C ATOM 1270 C GLU A 79 18.815 -26.518 13.373 1.00 73.11 C ATOM 1271 O GLU A 79 18.701 -25.341 13.711 1.00 3.25 O ATOM 1272 CB GLU A 79 20.366 -27.297 11.570 1.00 40.51 C ATOM 1273 CG GLU A 79 20.136 -26.022 10.775 1.00 71.40 C ATOM 1274 CD GLU A 79 21.211 -24.981 11.020 1.00 23.32 C ATOM 1275 OE1 GLU A 79 21.126 -24.271 12.044 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 22.137 -24.876 10.189 1.00 25.22 O ATOM 0 H GLU A 79 20.533 -29.185 13.145 1.00 34.12 H new ATOM 0 HA GLU A 79 20.950 -26.433 13.451 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.374 -27.661 11.373 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.675 -28.064 11.219 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.103 -26.262 9.712 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.164 -25.604 11.038 1.00 71.40 H new ATOM 1283 N ALA A 80 17.777 -27.337 13.239 1.00 23.40 N ATOM 1284 CA ALA A 80 16.413 -26.888 13.491 1.00 41.12 C ATOM 1285 C ALA A 80 16.251 -26.403 14.928 1.00 13.05 C ATOM 1286 O ALA A 80 15.433 -25.527 15.207 1.00 13.31 O ATOM 1287 CB ALA A 80 15.426 -28.008 13.196 1.00 63.34 C ATOM 0 H ALA A 80 17.854 -28.314 12.958 1.00 23.40 H new ATOM 0 HA ALA A 80 16.204 -26.050 12.826 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.411 -27.659 13.388 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.515 -28.306 12.151 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.643 -28.863 13.837 1.00 63.34 H new ATOM 1293 N GLN A 81 17.035 -26.977 15.834 1.00 53.33 N ATOM 1294 CA GLN A 81 16.977 -26.604 17.241 1.00 55.10 C ATOM 1295 C GLN A 81 17.511 -25.190 17.452 1.00 65.05 C ATOM 1296 O GLN A 81 17.148 -24.516 18.414 1.00 13.14 O ATOM 1297 CB GLN A 81 17.777 -27.595 18.088 1.00 55.14 C ATOM 1298 CG GLN A 81 17.262 -29.022 18.003 1.00 15.04 C ATOM 1299 CD GLN A 81 16.487 -29.440 19.237 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.752 -28.962 20.340 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.523 -30.334 19.057 1.00 12.11 N ATOM 0 H GLN A 81 17.718 -27.703 15.618 1.00 53.33 H new ATOM 0 HA GLN A 81 15.933 -26.630 17.554 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.819 -27.574 17.769 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.755 -27.271 19.129 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.622 -29.121 17.126 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.104 -29.700 17.861 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.338 -30.704 18.125 1.00 12.11 H new ATOM 0 HE22 GLN A 81 14.967 -30.652 19.851 1.00 12.11 H new ATOM 1310 N GLY A 82 18.377 -24.749 16.544 1.00 10.33 N ATOM 1311 CA GLY A 82 18.947 -23.419 16.650 1.00 0.41 C ATOM 1312 C GLY A 82 17.889 -22.334 16.662 1.00 3.45 C ATOM 1313 O GLY A 82 18.059 -21.300 17.311 1.00 20.11 O ATOM 0 H GLY A 82 18.693 -25.289 15.738 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.541 -23.353 17.562 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.626 -23.251 15.814 1.00 0.41 H new ATOM 1317 N ILE A 83 16.796 -22.566 15.944 1.00 31.40 N ATOM 1318 CA ILE A 83 15.707 -21.599 15.875 1.00 1.12 C ATOM 1319 C ILE A 83 14.466 -22.119 16.592 1.00 73.35 C ATOM 1320 O ILE A 83 13.618 -21.341 17.031 1.00 13.12 O ATOM 1321 CB ILE A 83 15.342 -21.265 14.418 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.773 -22.499 13.715 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.562 -20.740 13.673 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.354 -22.240 12.284 1.00 2.43 C ATOM 0 H ILE A 83 16.641 -23.416 15.401 1.00 31.40 H new ATOM 0 HA ILE A 83 16.057 -20.693 16.369 1.00 1.12 H new ATOM 0 HB ILE A 83 14.578 -20.487 14.420 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.521 -23.292 13.728 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.913 -22.863 14.277 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.288 -20.508 12.644 1.00 22.22 H new ATOM 0 HG22 ILE A 83 16.927 -19.838 14.163 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.345 -21.498 13.678 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.960 -23.158 11.848 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.583 -21.470 12.264 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.216 -21.905 11.707 1.00 2.43 H new ATOM 1336 N HIS A 84 14.364 -23.439 16.708 1.00 63.03 N ATOM 1337 CA HIS A 84 13.227 -24.063 17.375 1.00 54.51 C ATOM 1338 C HIS A 84 13.581 -25.469 17.852 1.00 12.33 C ATOM 1339 O HIS A 84 13.530 -26.439 17.097 1.00 53.42 O ATOM 1340 CB HIS A 84 12.025 -24.121 16.431 1.00 32.52 C ATOM 1341 CG HIS A 84 10.731 -23.749 17.086 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.397 -24.136 18.367 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.687 -23.018 16.631 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.202 -23.661 18.671 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.750 -22.978 17.634 1.00 13.00 N ATOM 0 H HIS A 84 15.055 -24.097 16.349 1.00 63.03 H new ATOM 0 HA HIS A 84 12.970 -23.457 18.244 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.202 -23.452 15.589 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.941 -25.129 16.025 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.606 -22.553 15.660 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.683 -23.806 19.607 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.851 -22.499 17.586 1.00 13.00 H new ATOM 1353 N PRO A 85 13.950 -25.583 19.137 1.00 51.33 N ATOM 1354 CA PRO A 85 14.321 -26.864 19.745 1.00 21.45 C ATOM 1355 C PRO A 85 13.125 -27.797 19.903 1.00 1.12 C ATOM 1356 O PRO A 85 13.281 -28.962 20.266 1.00 55.23 O ATOM 1357 CB PRO A 85 14.872 -26.461 21.114 1.00 54.51 C ATOM 1358 CG PRO A 85 14.215 -25.159 21.419 1.00 23.33 C ATOM 1359 CD PRO A 85 14.035 -24.467 20.096 1.00 35.21 C ATOM 0 HA PRO A 85 15.033 -27.416 19.132 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.638 -27.209 21.871 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.957 -26.361 21.090 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.256 -25.312 21.913 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.828 -24.560 22.092 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.133 -23.855 20.082 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.872 -23.806 19.871 1.00 35.21 H new ATOM 1367 N GLU A 86 11.933 -27.276 19.629 1.00 11.24 N ATOM 1368 CA GLU A 86 10.712 -28.063 19.744 1.00 2.30 C ATOM 1369 C GLU A 86 10.603 -29.068 18.600 1.00 54.33 C ATOM 1370 O GLU A 86 9.871 -30.053 18.692 1.00 72.01 O ATOM 1371 CB GLU A 86 9.486 -27.147 19.751 1.00 32.11 C ATOM 1372 CG GLU A 86 9.294 -26.396 21.057 1.00 10.02 C ATOM 1373 CD GLU A 86 7.891 -25.844 21.212 1.00 32.22 C ATOM 1374 OE1 GLU A 86 7.043 -26.127 20.340 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 7.640 -25.128 22.205 1.00 32.50 O ATOM 0 H GLU A 86 11.788 -26.313 19.326 1.00 11.24 H new ATOM 0 HA GLU A 86 10.752 -28.612 20.685 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.577 -26.427 18.938 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.596 -27.744 19.551 1.00 32.11 H new ATOM 0 HG2 GLU A 86 9.512 -27.063 21.891 1.00 10.02 H new ATOM 0 HG3 GLU A 86 10.011 -25.576 21.109 1.00 10.02 H new ATOM 1382 N TYR A 87 11.336 -28.809 17.523 1.00 13.33 N ATOM 1383 CA TYR A 87 11.320 -29.688 16.359 1.00 62.40 C ATOM 1384 C TYR A 87 11.685 -31.117 16.750 1.00 30.01 C ATOM 1385 O TYR A 87 11.999 -31.394 17.908 1.00 64.21 O ATOM 1386 CB TYR A 87 12.290 -29.176 15.293 1.00 41.24 C ATOM 1387 CG TYR A 87 11.762 -27.994 14.512 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.461 -27.984 14.024 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.564 -26.888 14.260 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.975 -26.908 13.308 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.086 -25.806 13.547 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.790 -25.821 13.072 1.00 73.33 C ATOM 1393 OH TYR A 87 10.310 -24.746 12.361 1.00 33.41 O ATOM 0 H TYR A 87 11.948 -27.998 17.431 1.00 13.33 H new ATOM 0 HA TYR A 87 10.309 -29.689 15.951 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.228 -28.895 15.772 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.517 -29.987 14.600 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.819 -28.833 14.208 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.579 -26.874 14.628 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.962 -26.918 12.935 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.722 -24.953 13.362 1.00 41.22 H new ATOM 0 HH TYR A 87 10.907 -23.979 12.485 1.00 33.41 H new ATOM 1403 N MET A 88 11.642 -32.019 15.776 1.00 30.33 N ATOM 1404 CA MET A 88 11.970 -33.420 16.018 1.00 15.53 C ATOM 1405 C MET A 88 12.204 -34.158 14.703 1.00 10.42 C ATOM 1406 O MET A 88 11.600 -33.833 13.681 1.00 24.25 O ATOM 1407 CB MET A 88 10.849 -34.100 16.805 1.00 14.22 C ATOM 1408 CG MET A 88 11.184 -35.518 17.241 1.00 4.24 C ATOM 1409 SD MET A 88 12.481 -35.569 18.493 1.00 21.05 S ATOM 1410 CE MET A 88 11.672 -34.728 19.852 1.00 34.51 C ATOM 0 H MET A 88 11.384 -31.806 14.812 1.00 30.33 H new ATOM 0 HA MET A 88 12.889 -33.456 16.604 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.621 -33.502 17.687 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.947 -34.121 16.193 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.286 -35.995 17.633 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.499 -36.097 16.373 1.00 4.24 H new ATOM 0 HE1 MET A 88 12.163 -34.993 20.788 1.00 34.51 H new ATOM 0 HE2 MET A 88 11.735 -33.650 19.702 1.00 34.51 H new ATOM 0 HE3 MET A 88 10.625 -35.028 19.894 1.00 34.51 H new ATOM 1420 N VAL A 89 13.084 -35.153 14.737 1.00 2.14 N ATOM 1421 CA VAL A 89 13.397 -35.937 13.549 1.00 32.25 C ATOM 1422 C VAL A 89 12.128 -36.458 12.883 1.00 31.51 C ATOM 1423 O VAL A 89 11.343 -37.179 13.496 1.00 22.02 O ATOM 1424 CB VAL A 89 14.311 -37.131 13.888 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.665 -37.907 12.629 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.566 -36.653 14.601 1.00 64.13 C ATOM 0 H VAL A 89 13.593 -35.435 15.575 1.00 2.14 H new ATOM 0 HA VAL A 89 13.919 -35.272 12.861 1.00 32.25 H new ATOM 0 HB VAL A 89 13.772 -37.801 14.558 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.311 -38.746 12.888 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.753 -38.281 12.164 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.185 -37.251 11.931 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.201 -37.508 14.833 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.110 -35.962 13.957 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.289 -36.145 15.525 1.00 64.13 H new ATOM 1436 N GLY A 90 11.932 -36.084 11.621 1.00 61.31 N ATOM 1437 CA GLY A 90 10.756 -36.523 10.893 1.00 5.34 C ATOM 1438 C GLY A 90 9.822 -35.376 10.558 1.00 73.20 C ATOM 1439 O GLY A 90 8.982 -35.492 9.665 1.00 73.05 O ATOM 0 H GLY A 90 12.566 -35.486 11.091 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.066 -37.017 9.972 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.220 -37.263 11.487 1.00 5.34 H new ATOM 1443 N ASP A 91 9.965 -34.268 11.277 1.00 14.12 N ATOM 1444 CA ASP A 91 9.127 -33.097 11.053 1.00 22.15 C ATOM 1445 C ASP A 91 9.648 -32.273 9.879 1.00 32.31 C ATOM 1446 O ASP A 91 10.531 -32.711 9.142 1.00 53.31 O ATOM 1447 CB ASP A 91 9.072 -32.234 12.313 1.00 12.13 C ATOM 1448 CG ASP A 91 7.651 -31.917 12.737 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.874 -32.869 12.967 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.315 -30.719 12.839 1.00 3.14 O ATOM 0 H ASP A 91 10.654 -34.157 12.021 1.00 14.12 H new ATOM 0 HA ASP A 91 8.121 -33.441 10.814 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.584 -32.750 13.126 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.611 -31.303 12.136 1.00 12.13 H new ATOM 1455 N VAL A 92 9.093 -31.076 9.711 1.00 31.51 N ATOM 1456 CA VAL A 92 9.502 -30.190 8.627 1.00 42.33 C ATOM 1457 C VAL A 92 9.697 -28.763 9.128 1.00 75.52 C ATOM 1458 O VAL A 92 8.908 -28.263 9.931 1.00 53.31 O ATOM 1459 CB VAL A 92 8.467 -30.186 7.486 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.568 -31.464 6.668 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.062 -30.008 8.042 1.00 61.45 C ATOM 0 H VAL A 92 8.360 -30.698 10.311 1.00 31.51 H new ATOM 0 HA VAL A 92 10.450 -30.570 8.246 1.00 42.33 H new ATOM 0 HB VAL A 92 8.682 -29.344 6.827 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.829 -31.443 5.867 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.567 -31.543 6.238 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.381 -32.324 7.311 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.344 -30.007 7.222 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.834 -30.827 8.724 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.000 -29.061 8.579 1.00 61.45 H new ATOM 1471 N VAL A 93 10.752 -28.112 8.648 1.00 53.22 N ATOM 1472 CA VAL A 93 11.050 -26.742 9.046 1.00 1.40 C ATOM 1473 C VAL A 93 11.054 -25.809 7.840 1.00 13.54 C ATOM 1474 O VAL A 93 11.527 -26.173 6.764 1.00 42.32 O ATOM 1475 CB VAL A 93 12.411 -26.647 9.758 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.513 -27.228 8.884 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.719 -25.205 10.131 1.00 1.50 C ATOM 0 H VAL A 93 11.414 -28.512 7.983 1.00 53.22 H new ATOM 0 HA VAL A 93 10.265 -26.436 9.738 1.00 1.40 H new ATOM 0 HB VAL A 93 12.362 -27.232 10.676 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.468 -27.152 9.404 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.297 -28.275 8.674 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.565 -26.673 7.947 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.685 -25.158 10.633 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.749 -24.594 9.229 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.944 -24.828 10.799 1.00 1.50 H new ATOM 1487 N GLU A 94 10.525 -24.604 8.029 1.00 63.33 N ATOM 1488 CA GLU A 94 10.467 -23.619 6.955 1.00 13.04 C ATOM 1489 C GLU A 94 11.348 -22.414 7.275 1.00 14.14 C ATOM 1490 O GLU A 94 11.336 -21.904 8.395 1.00 22.33 O ATOM 1491 CB GLU A 94 9.024 -23.163 6.727 1.00 72.23 C ATOM 1492 CG GLU A 94 8.271 -24.009 5.715 1.00 51.42 C ATOM 1493 CD GLU A 94 7.392 -25.057 6.369 1.00 45.35 C ATOM 1494 OE1 GLU A 94 7.585 -25.327 7.573 1.00 3.23 O ATOM 1495 OE2 GLU A 94 6.510 -25.607 5.677 1.00 11.44 O1- ATOM 0 H GLU A 94 10.131 -24.287 8.915 1.00 63.33 H new ATOM 0 HA GLU A 94 10.839 -24.089 6.045 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.490 -23.187 7.677 1.00 72.23 H new ATOM 0 HB3 GLU A 94 9.028 -22.126 6.390 1.00 72.23 H new ATOM 0 HG2 GLU A 94 7.655 -23.361 5.092 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.985 -24.500 5.055 1.00 51.42 H new ATOM 1502 N ILE A 95 12.112 -21.968 6.283 1.00 43.41 N ATOM 1503 CA ILE A 95 12.998 -20.824 6.457 1.00 24.11 C ATOM 1504 C ILE A 95 12.812 -19.808 5.336 1.00 51.42 C ATOM 1505 O ILE A 95 12.648 -20.175 4.173 1.00 43.44 O ATOM 1506 CB ILE A 95 14.475 -21.258 6.502 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.656 -22.429 7.470 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.360 -20.088 6.905 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.515 -23.784 6.814 1.00 4.40 C ATOM 0 H ILE A 95 12.135 -22.382 5.351 1.00 43.41 H new ATOM 0 HA ILE A 95 12.734 -20.363 7.409 1.00 24.11 H new ATOM 0 HB ILE A 95 14.772 -21.586 5.506 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.641 -22.359 7.932 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.922 -22.344 8.271 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.401 -20.411 6.932 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.249 -19.282 6.180 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.065 -19.732 7.892 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.656 -24.566 7.560 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.521 -23.875 6.376 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.267 -23.890 6.032 1.00 4.40 H new ATOM 1521 N GLU A 96 12.840 -18.528 5.694 1.00 15.41 N ATOM 1522 CA GLU A 96 12.675 -17.458 4.717 1.00 4.20 C ATOM 1523 C GLU A 96 13.651 -17.627 3.555 1.00 3.25 C ATOM 1524 O GLU A 96 14.867 -17.635 3.747 1.00 21.32 O ATOM 1525 CB GLU A 96 12.885 -16.095 5.379 1.00 33.11 C ATOM 1526 CG GLU A 96 11.646 -15.559 6.075 1.00 44.11 C ATOM 1527 CD GLU A 96 11.818 -14.131 6.556 1.00 24.12 C ATOM 1528 OE1 GLU A 96 12.560 -13.920 7.538 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 11.211 -13.224 5.949 1.00 64.34 O ATOM 0 H GLU A 96 12.975 -18.207 6.653 1.00 15.41 H new ATOM 0 HA GLU A 96 11.659 -17.511 4.327 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.694 -16.174 6.105 1.00 33.11 H new ATOM 0 HB3 GLU A 96 13.205 -15.379 4.622 1.00 33.11 H new ATOM 0 HG2 GLU A 96 10.799 -15.608 5.390 1.00 44.11 H new ATOM 0 HG3 GLU A 96 11.406 -16.198 6.925 1.00 44.11 H new ATOM 1536 N VAL A 97 13.108 -17.763 2.349 1.00 52.41 N ATOM 1537 CA VAL A 97 13.928 -17.932 1.156 1.00 41.24 C ATOM 1538 C VAL A 97 13.449 -17.027 0.027 1.00 64.02 C ATOM 1539 O VAL A 97 13.838 -17.198 -1.129 1.00 40.42 O ATOM 1540 CB VAL A 97 13.916 -19.393 0.668 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.588 -19.723 0.004 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.075 -19.645 -0.284 1.00 14.33 C ATOM 0 H VAL A 97 12.103 -17.759 2.173 1.00 52.41 H new ATOM 0 HA VAL A 97 14.946 -17.657 1.431 1.00 41.24 H new ATOM 0 HB VAL A 97 14.036 -20.048 1.531 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.598 -20.759 -0.334 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.778 -19.583 0.720 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.435 -19.064 -0.850 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.052 -20.682 -0.619 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.989 -18.983 -1.146 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.017 -19.451 0.230 1.00 14.33 H new ATOM 1552 N THR A 98 12.603 -16.060 0.369 1.00 74.11 N ATOM 1553 CA THR A 98 12.069 -15.127 -0.615 1.00 21.42 C ATOM 1554 C THR A 98 13.079 -14.032 -0.940 1.00 23.55 C ATOM 1555 O THR A 98 13.804 -13.546 -0.071 1.00 72.05 O ATOM 1556 CB THR A 98 10.764 -14.476 -0.122 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.326 -13.486 -1.060 1.00 65.23 O ATOM 1558 CG2 THR A 98 10.961 -13.836 1.244 1.00 33.24 C ATOM 0 H THR A 98 12.273 -15.903 1.321 1.00 74.11 H new ATOM 0 HA THR A 98 11.860 -15.704 -1.516 1.00 21.42 H new ATOM 0 HB THR A 98 10.006 -15.254 -0.035 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.549 -13.823 -1.553 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.026 -13.383 1.572 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.266 -14.597 1.962 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.733 -13.069 1.179 1.00 33.24 H new ATOM 1566 N PRO A 99 13.131 -13.634 -2.219 1.00 61.42 N ATOM 1567 CA PRO A 99 14.048 -12.590 -2.687 1.00 22.35 C ATOM 1568 C PRO A 99 13.667 -11.208 -2.168 1.00 21.13 C ATOM 1569 O PRO A 99 12.512 -10.961 -1.818 1.00 4.33 O ATOM 1570 CB PRO A 99 13.904 -12.648 -4.210 1.00 33.45 C ATOM 1571 CG PRO A 99 12.546 -13.214 -4.441 1.00 23.31 C ATOM 1572 CD PRO A 99 12.296 -14.170 -3.308 1.00 75.43 C ATOM 0 HA PRO A 99 15.066 -12.754 -2.335 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.001 -11.658 -4.655 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.675 -13.275 -4.657 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.793 -12.426 -4.460 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.495 -13.726 -5.402 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.242 -14.197 -3.030 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.583 -15.188 -3.571 1.00 75.43 H new ATOM 1580 N LYS A 100 14.643 -10.309 -2.121 1.00 1.34 N ATOM 1581 CA LYS A 100 14.410 -8.949 -1.647 1.00 31.23 C ATOM 1582 C LYS A 100 13.682 -8.123 -2.702 1.00 11.53 C ATOM 1583 O LYS A 100 13.306 -6.977 -2.455 1.00 43.02 O ATOM 1584 CB LYS A 100 15.738 -8.279 -1.285 1.00 14.02 C ATOM 1585 CG LYS A 100 16.675 -8.107 -2.468 1.00 13.24 C ATOM 1586 CD LYS A 100 17.743 -7.063 -2.188 1.00 51.30 C ATOM 1587 CE LYS A 100 18.592 -6.789 -3.419 1.00 60.13 C ATOM 1588 NZ LYS A 100 17.894 -5.899 -4.388 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.604 -10.497 -2.405 1.00 1.34 H new ATOM 0 HA LYS A 100 13.783 -9.003 -0.757 1.00 31.23 H new ATOM 0 HB2 LYS A 100 15.535 -7.301 -0.848 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.238 -8.872 -0.520 1.00 14.02 H new ATOM 0 HG2 LYS A 100 17.149 -9.061 -2.699 1.00 13.24 H new ATOM 0 HG3 LYS A 100 16.102 -7.815 -3.348 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.271 -6.138 -1.857 1.00 51.30 H new ATOM 0 HD3 LYS A 100 18.382 -7.404 -1.373 1.00 51.30 H new ATOM 0 HE2 LYS A 100 19.533 -6.329 -3.116 1.00 60.13 H new ATOM 0 HE3 LYS A 100 18.840 -7.732 -3.906 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 18.506 -5.736 -5.213 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 17.009 -6.349 -4.697 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 17.679 -4.989 -3.932 1.00 62.04 H new ATOM 1602 N ASP A 101 13.485 -8.712 -3.876 1.00 23.32 N ATOM 1603 CA ASP A 101 12.799 -8.030 -4.967 1.00 41.13 C ATOM 1604 C ASP A 101 11.396 -8.596 -5.166 1.00 43.12 C ATOM 1605 O ASP A 101 10.637 -8.121 -6.010 1.00 15.43 O ATOM 1606 CB ASP A 101 13.602 -8.158 -6.263 1.00 64.01 C ATOM 1607 CG ASP A 101 13.299 -7.045 -7.245 1.00 62.02 C ATOM 1608 OD1 ASP A 101 13.360 -5.864 -6.841 1.00 12.30 O ATOM 1609 OD2 ASP A 101 13.000 -7.353 -8.418 1.00 24.30 O1- ATOM 0 H ASP A 101 13.790 -9.660 -4.097 1.00 23.32 H new ATOM 0 HA ASP A 101 12.712 -6.976 -4.705 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.667 -8.152 -6.029 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.383 -9.119 -6.729 1.00 64.01 H new ATOM 1614 N PHE A 102 11.059 -9.616 -4.382 1.00 61.52 N ATOM 1615 CA PHE A 102 9.748 -10.248 -4.473 1.00 41.25 C ATOM 1616 C PHE A 102 8.635 -9.226 -4.270 1.00 61.03 C ATOM 1617 O PHE A 102 7.494 -9.444 -4.676 1.00 73.03 O ATOM 1618 CB PHE A 102 9.625 -11.366 -3.435 1.00 42.23 C ATOM 1619 CG PHE A 102 8.991 -12.617 -3.973 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.455 -13.197 -5.143 1.00 34.02 C ATOM 1621 CD2 PHE A 102 7.930 -13.212 -3.308 1.00 61.34 C ATOM 1622 CE1 PHE A 102 8.872 -14.347 -5.640 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.344 -14.362 -3.801 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.816 -14.931 -4.968 1.00 15.23 C ATOM 0 H PHE A 102 11.675 -10.022 -3.678 1.00 61.52 H new ATOM 0 HA PHE A 102 9.647 -10.674 -5.471 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.617 -11.607 -3.053 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.037 -11.004 -2.591 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.281 -12.745 -5.672 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.558 -12.772 -2.395 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.242 -14.789 -6.553 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.517 -14.816 -3.274 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.360 -15.831 -5.354 1.00 15.23 H new ATOM 1634 N GLY A 103 8.975 -8.107 -3.635 1.00 33.20 N ATOM 1635 CA GLY A 103 7.994 -7.068 -3.388 1.00 14.33 C ATOM 1636 C GLY A 103 7.214 -6.697 -4.633 1.00 14.11 C ATOM 1637 O GLY A 103 5.983 -6.693 -4.625 1.00 52.21 O ATOM 0 H GLY A 103 9.912 -7.903 -3.288 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.301 -7.403 -2.616 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.498 -6.182 -3.002 1.00 14.33 H new ATOM 1641 N ARG A 104 7.932 -6.383 -5.707 1.00 11.41 N ATOM 1642 CA ARG A 104 7.300 -6.006 -6.966 1.00 21.11 C ATOM 1643 C ARG A 104 6.832 -7.242 -7.730 1.00 54.21 C ATOM 1644 O ARG A 104 5.830 -7.199 -8.445 1.00 35.02 O ATOM 1645 CB ARG A 104 8.272 -5.199 -7.828 1.00 50.22 C ATOM 1646 CG ARG A 104 8.640 -3.851 -7.230 1.00 72.45 C ATOM 1647 CD ARG A 104 7.656 -2.769 -7.646 1.00 22.14 C ATOM 1648 NE ARG A 104 8.299 -1.463 -7.769 1.00 50.51 N ATOM 1649 CZ ARG A 104 7.629 -0.317 -7.827 1.00 32.33 C ATOM 1650 NH1 ARG A 104 6.305 -0.316 -7.772 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 8.286 0.831 -7.938 1.00 63.54 N ATOM 0 H ARG A 104 8.952 -6.382 -5.730 1.00 11.41 H new ATOM 0 HA ARG A 104 6.431 -5.390 -6.737 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.181 -5.781 -7.978 1.00 50.22 H new ATOM 0 HB3 ARG A 104 7.828 -5.042 -8.811 1.00 50.22 H new ATOM 0 HG2 ARG A 104 8.660 -3.927 -6.143 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.645 -3.573 -7.549 1.00 72.45 H new ATOM 0 HD2 ARG A 104 7.200 -3.040 -8.598 1.00 22.14 H new ATOM 0 HD3 ARG A 104 6.851 -2.709 -6.913 1.00 22.14 H new ATOM 0 HE ARG A 104 9.317 -1.429 -7.813 1.00 50.51 H new ATOM 0 HH11 ARG A 104 5.798 -1.196 -7.685 1.00 65.42 H new ATOM 0 HH12 ARG A 104 5.793 0.565 -7.817 1.00 65.42 H new ATOM 0 HH21 ARG A 104 9.305 0.833 -7.979 1.00 63.54 H new ATOM 0 HH22 ARG A 104 7.772 1.711 -7.983 1.00 63.54 H new ATOM 1665 N ILE A 105 7.563 -8.340 -7.573 1.00 74.15 N ATOM 1666 CA ILE A 105 7.222 -9.587 -8.248 1.00 51.42 C ATOM 1667 C ILE A 105 5.842 -10.080 -7.827 1.00 31.22 C ATOM 1668 O ILE A 105 5.054 -10.533 -8.657 1.00 32.23 O ATOM 1669 CB ILE A 105 8.259 -10.687 -7.955 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.667 -10.196 -8.299 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.927 -11.949 -8.737 1.00 4.21 C ATOM 1672 CD1 ILE A 105 9.897 -10.008 -9.782 1.00 51.01 C ATOM 0 H ILE A 105 8.395 -8.392 -6.985 1.00 74.15 H new ATOM 0 HA ILE A 105 7.220 -9.377 -9.318 1.00 51.42 H new ATOM 0 HB ILE A 105 8.226 -10.922 -6.891 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.848 -9.250 -7.789 1.00 71.02 H new ATOM 0 HG13 ILE A 105 10.396 -10.910 -7.914 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.669 -12.717 -8.520 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.939 -12.307 -8.448 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.935 -11.728 -9.804 1.00 4.21 H new ATOM 0 HD11 ILE A 105 10.916 -9.659 -9.951 1.00 51.01 H new ATOM 0 HD12 ILE A 105 9.749 -10.958 -10.296 1.00 51.01 H new ATOM 0 HD13 ILE A 105 9.192 -9.272 -10.169 1.00 51.01 H new ATOM 1684 N ALA A 106 5.556 -9.987 -6.533 1.00 52.13 N ATOM 1685 CA ALA A 106 4.268 -10.419 -6.003 1.00 0.32 C ATOM 1686 C ALA A 106 3.116 -9.764 -6.755 1.00 11.13 C ATOM 1687 O ALA A 106 2.114 -10.410 -7.060 1.00 42.22 O ATOM 1688 CB ALA A 106 4.178 -10.104 -4.517 1.00 60.32 C ATOM 0 H ALA A 106 6.198 -9.617 -5.832 1.00 52.13 H new ATOM 0 HA ALA A 106 4.189 -11.497 -6.141 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.212 -10.431 -4.134 1.00 60.32 H new ATOM 0 HB2 ALA A 106 4.975 -10.625 -3.986 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.283 -9.030 -4.366 1.00 60.32 H new ATOM 1694 N ALA A 107 3.264 -8.477 -7.052 1.00 54.24 N ATOM 1695 CA ALA A 107 2.236 -7.736 -7.771 1.00 40.42 C ATOM 1696 C ALA A 107 2.167 -8.167 -9.232 1.00 61.51 C ATOM 1697 O ALA A 107 1.098 -8.502 -9.739 1.00 62.23 O ATOM 1698 CB ALA A 107 2.497 -6.240 -7.672 1.00 41.43 C ATOM 0 H ALA A 107 4.086 -7.926 -6.805 1.00 54.24 H new ATOM 0 HA ALA A 107 1.274 -7.958 -7.309 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.721 -5.699 -8.214 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.487 -5.937 -6.625 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.470 -6.011 -8.106 1.00 41.43 H new ATOM 1704 N GLN A 108 3.315 -8.156 -9.902 1.00 63.24 N ATOM 1705 CA GLN A 108 3.384 -8.545 -11.306 1.00 24.31 C ATOM 1706 C GLN A 108 2.776 -9.928 -11.517 1.00 33.31 C ATOM 1707 O GLN A 108 2.222 -10.219 -12.577 1.00 5.33 O ATOM 1708 CB GLN A 108 4.834 -8.532 -11.789 1.00 74.24 C ATOM 1709 CG GLN A 108 5.011 -9.078 -13.197 1.00 10.13 C ATOM 1710 CD GLN A 108 6.464 -9.132 -13.624 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.080 -10.199 -13.638 1.00 30.11 O ATOM 1712 NE2 GLN A 108 7.021 -7.979 -13.978 1.00 30.20 N ATOM 0 H GLN A 108 4.210 -7.882 -9.496 1.00 63.24 H new ATOM 0 HA GLN A 108 2.809 -7.823 -11.887 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.211 -7.510 -11.755 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.443 -9.119 -11.101 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.583 -10.079 -13.251 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.454 -8.455 -13.897 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.474 -7.119 -13.951 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.996 -7.954 -14.276 1.00 30.20 H new ATOM 1721 N THR A 109 2.884 -10.778 -10.501 1.00 14.35 N ATOM 1722 CA THR A 109 2.347 -12.131 -10.576 1.00 1.22 C ATOM 1723 C THR A 109 0.870 -12.158 -10.200 1.00 5.53 C ATOM 1724 O THR A 109 0.118 -13.014 -10.664 1.00 22.25 O ATOM 1725 CB THR A 109 3.118 -13.094 -9.653 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.523 -12.830 -9.733 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.847 -14.541 -10.032 1.00 43.12 C ATOM 0 H THR A 109 3.339 -10.553 -9.616 1.00 14.35 H new ATOM 0 HA THR A 109 2.462 -12.460 -11.609 1.00 1.22 H new ATOM 0 HB THR A 109 2.776 -12.933 -8.631 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.718 -11.967 -9.312 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.402 -15.202 -9.366 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.781 -14.747 -9.941 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.164 -14.713 -11.061 1.00 43.12 H new ATOM 1735 N ALA A 110 0.461 -11.215 -9.358 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.927 -11.129 -8.922 1.00 65.20 C ATOM 1737 C ALA A 110 -1.810 -10.537 -10.015 1.00 34.15 C ATOM 1738 O ALA A 110 -2.934 -10.990 -10.233 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.031 -10.301 -7.650 1.00 42.13 C ATOM 0 H ALA A 110 1.072 -10.499 -8.964 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.280 -12.139 -8.714 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.073 -10.245 -7.336 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.439 -10.768 -6.863 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.655 -9.296 -7.839 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.295 -9.522 -10.700 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.036 -8.867 -11.772 1.00 13.33 C ATOM 1747 C LYS A 111 -2.302 -9.835 -12.919 1.00 33.32 C ATOM 1748 O LYS A 111 -3.352 -9.780 -13.558 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.262 -7.650 -12.285 1.00 20.42 C ATOM 1750 CG LYS A 111 0.187 -7.952 -12.628 1.00 74.20 C ATOM 1751 CD LYS A 111 0.612 -7.259 -13.911 1.00 34.11 C ATOM 1752 CE LYS A 111 1.795 -7.961 -14.559 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.368 -9.144 -15.358 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.367 -9.135 -10.532 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.994 -8.537 -11.370 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.762 -7.258 -13.171 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.292 -6.865 -11.529 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.830 -7.630 -11.809 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.320 -9.029 -12.734 1.00 74.20 H new ATOM 0 HD2 LYS A 111 -0.226 -7.237 -14.608 1.00 34.11 H new ATOM 0 HD3 LYS A 111 0.875 -6.223 -13.696 1.00 34.11 H new ATOM 0 HE2 LYS A 111 2.325 -7.260 -15.203 1.00 74.34 H new ATOM 0 HE3 LYS A 111 2.497 -8.278 -13.787 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 1.976 -9.956 -15.128 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 0.380 -9.377 -15.133 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 1.450 -8.926 -16.372 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.345 -10.722 -13.174 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.478 -11.703 -14.245 1.00 10.21 C ATOM 1769 C GLN A 112 -2.423 -12.829 -13.837 1.00 0.31 C ATOM 1770 O GLN A 112 -3.126 -13.397 -14.672 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.108 -12.277 -14.612 1.00 41.41 C ATOM 1772 CG GLN A 112 0.574 -13.003 -13.463 1.00 33.01 C ATOM 1773 CD GLN A 112 1.836 -13.723 -13.897 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.724 -13.129 -14.510 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.923 -15.009 -13.578 1.00 73.33 N ATOM 0 H GLN A 112 -0.470 -10.781 -12.654 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.898 -11.199 -15.116 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.224 -12.966 -15.449 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.537 -11.467 -14.953 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.820 -12.286 -12.680 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.120 -13.723 -13.030 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.163 -15.461 -13.069 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.750 -15.545 -13.842 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.432 -13.148 -12.547 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.290 -14.207 -12.027 1.00 53.54 C ATOM 1786 C VAL A 113 -4.745 -13.754 -11.967 1.00 33.44 C ATOM 1787 O VAL A 113 -5.630 -14.393 -12.537 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.844 -14.654 -10.623 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.932 -15.481 -9.955 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.541 -15.435 -10.702 1.00 71.43 C ATOM 0 H VAL A 113 -1.855 -12.689 -11.842 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.202 -15.050 -12.712 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.672 -13.766 -10.015 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.599 -15.788 -8.964 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.839 -14.883 -9.864 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.139 -16.365 -10.558 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.240 -15.743 -9.701 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.683 -16.317 -11.326 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.765 -14.805 -11.136 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.986 -12.648 -11.272 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.334 -12.107 -11.138 1.00 44.31 C ATOM 1802 C VAL A 114 -6.965 -11.859 -12.503 1.00 24.40 C ATOM 1803 O VAL A 114 -8.160 -12.084 -12.698 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.334 -10.791 -10.337 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.886 -11.038 -8.904 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.444 -9.758 -11.011 1.00 62.43 C ATOM 0 H VAL A 114 -4.266 -12.108 -10.792 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.921 -12.851 -10.600 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.351 -10.401 -10.312 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.892 -10.097 -8.354 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.567 -11.742 -8.426 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.877 -11.452 -8.904 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.456 -8.835 -10.432 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.424 -10.138 -11.068 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.814 -9.560 -12.017 1.00 62.43 H new ATOM 1816 N THR A 115 -6.154 -11.393 -13.448 1.00 11.13 N ATOM 1817 CA THR A 115 -6.632 -11.113 -14.796 1.00 33.11 C ATOM 1818 C THR A 115 -6.934 -12.402 -15.551 1.00 25.41 C ATOM 1819 O THR A 115 -7.793 -12.428 -16.433 1.00 0.53 O ATOM 1820 CB THR A 115 -5.605 -10.290 -15.597 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.395 -9.022 -14.966 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.077 -10.081 -17.027 1.00 72.31 C ATOM 0 H THR A 115 -5.163 -11.202 -13.304 1.00 11.13 H new ATOM 0 HA THR A 115 -7.549 -10.533 -14.692 1.00 33.11 H new ATOM 0 HB THR A 115 -4.666 -10.843 -15.620 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.716 -9.114 -14.265 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.336 -9.497 -17.573 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.207 -11.048 -17.512 1.00 72.31 H new ATOM 0 HG23 THR A 115 -7.027 -9.547 -17.022 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.223 -13.468 -15.199 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.417 -14.762 -15.846 1.00 54.01 C ATOM 1832 C GLN A 116 -7.743 -15.388 -15.424 1.00 61.15 C ATOM 1833 O GLN A 116 -8.528 -15.826 -16.266 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.262 -15.705 -15.503 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.051 -15.536 -16.403 1.00 43.44 C ATOM 1836 CD GLN A 116 -4.135 -16.379 -17.660 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -4.857 -16.042 -18.600 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -3.396 -17.482 -17.685 1.00 23.42 N ATOM 0 H GLN A 116 -5.509 -13.462 -14.471 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.438 -14.602 -16.924 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.962 -15.537 -14.469 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.613 -16.735 -15.570 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -3.953 -14.486 -16.680 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.151 -15.805 -15.849 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.812 -17.723 -16.884 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -3.412 -18.088 -18.505 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.985 -15.426 -14.119 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.215 -16.000 -13.587 1.00 0.51 C ATOM 1849 C ARG A 117 -10.439 -15.341 -14.215 1.00 2.44 C ATOM 1850 O ARG A 117 -11.494 -15.961 -14.345 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.261 -15.840 -12.065 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.053 -16.428 -11.355 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.082 -17.948 -11.372 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.333 -18.479 -10.836 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.639 -19.771 -10.826 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.789 -20.661 -11.319 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.797 -20.176 -10.320 1.00 63.20 N ATOM 0 H ARG A 117 -7.346 -15.066 -13.410 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.228 -17.061 -13.835 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.335 -14.780 -11.821 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.164 -16.318 -11.685 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.140 -16.075 -11.835 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.028 -16.075 -10.324 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -7.947 -18.301 -12.394 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.246 -18.333 -10.789 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.009 -17.821 -10.448 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.897 -20.354 -11.707 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -9.027 -21.653 -11.310 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.453 -19.495 -9.938 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -11.031 -21.169 -10.313 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.291 -14.078 -14.604 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.384 -13.334 -15.219 1.00 4.21 C ATOM 1873 C VAL A 118 -11.806 -13.969 -16.539 1.00 14.31 C ATOM 1874 O VAL A 118 -12.979 -13.932 -16.910 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.991 -11.866 -15.472 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.170 -11.087 -16.034 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.479 -11.224 -14.191 1.00 2.43 C ATOM 0 H VAL A 118 -9.425 -13.549 -14.504 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.220 -13.364 -14.520 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.188 -11.844 -16.209 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.874 -10.052 -16.206 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.487 -11.535 -16.976 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.996 -11.114 -15.323 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.206 -10.187 -14.388 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.260 -11.256 -13.431 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.604 -11.769 -13.836 1.00 2.43 H new