USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 831 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00103) USER MOD Single : A 3 HIS : no HD1:sc= -0.0749 X(o=-0.075,f=-0.08) USER MOD Single : A 4 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.53) USER MOD Single : A 5 HIS : no HD1:sc=-0.00522 X(o=-0.0052,f=-0.0052) USER MOD Single : A 6 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.43) USER MOD Single : A 7 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-0.89) USER MOD Single : A 8 HIS :FLIP no HD1:sc= 0.0246 F(o=-0.55,f=0.025) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 44:sc= 0.2 USER MOD Single : A 15 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.059) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 36:sc= 0.353 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.593 F(o=-2.8!,f=-0.59) USER MOD Single : A 47 GLN : amide:sc= -2.01! C(o=-2!,f=-6.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 10:sc= 0.853 USER MOD Single : A 58 SER OG : rot 81:sc= -0.699 USER MOD Single : A 59 SER OG : rot -87:sc= 1.12 USER MOD Single : A 61 GLN : amide:sc= 0.155 X(o=0.15,f=-0.11) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00889 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= -0.104 (180deg=-0.218) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0.47 (180deg=0.361) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 2.03 (180deg=0.934) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.013 USER MOD Single : A 108 THR OG1 : rot 20:sc= 0.9 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.805 F(o=-3.6!,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.932 -70.300 -53.856 1.00 42.33 N ATOM 2 CA MET A 1 7.479 -68.926 -53.972 1.00 64.05 C ATOM 3 C MET A 1 6.361 -67.893 -53.860 1.00 13.42 C ATOM 4 O MET A 1 6.475 -66.913 -53.120 1.00 71.30 O ATOM 5 CB MET A 1 8.218 -68.750 -55.310 1.00 34.21 C ATOM 6 CG MET A 1 8.806 -67.358 -55.512 1.00 22.10 C ATOM 7 SD MET A 1 9.617 -67.178 -57.115 1.00 51.33 S ATOM 8 CE MET A 1 10.179 -65.478 -57.034 1.00 62.53 C ATOM 0 H1 MET A 1 7.709 -70.989 -53.917 1.00 42.33 H new ATOM 0 H2 MET A 1 6.448 -70.405 -52.942 1.00 42.33 H new ATOM 0 H3 MET A 1 6.256 -70.471 -54.628 1.00 42.33 H new ATOM 0 HA MET A 1 8.185 -68.772 -53.156 1.00 64.05 H new ATOM 0 HB2 MET A 1 9.021 -69.485 -55.370 1.00 34.21 H new ATOM 0 HB3 MET A 1 7.528 -68.964 -56.126 1.00 34.21 H new ATOM 0 HG2 MET A 1 8.013 -66.615 -55.424 1.00 22.10 H new ATOM 0 HG3 MET A 1 9.525 -67.152 -54.719 1.00 22.10 H new ATOM 0 HE1 MET A 1 10.700 -65.223 -57.957 1.00 62.53 H new ATOM 0 HE2 MET A 1 9.322 -64.817 -56.906 1.00 62.53 H new ATOM 0 HE3 MET A 1 10.858 -65.359 -56.190 1.00 62.53 H new ATOM 20 N ALA A 2 5.275 -68.110 -54.603 1.00 15.35 N ATOM 21 CA ALA A 2 4.145 -67.191 -54.601 1.00 62.22 C ATOM 22 C ALA A 2 3.281 -67.399 -53.361 1.00 54.21 C ATOM 23 O ALA A 2 2.228 -68.043 -53.418 1.00 13.45 O ATOM 24 CB ALA A 2 3.317 -67.355 -55.873 1.00 15.21 C ATOM 0 H ALA A 2 5.158 -68.918 -55.214 1.00 15.35 H new ATOM 0 HA ALA A 2 4.533 -66.173 -54.576 1.00 62.22 H new ATOM 0 HB1 ALA A 2 2.478 -66.660 -55.853 1.00 15.21 H new ATOM 0 HB2 ALA A 2 3.940 -67.146 -56.742 1.00 15.21 H new ATOM 0 HB3 ALA A 2 2.941 -68.376 -55.933 1.00 15.21 H new ATOM 30 N HIS A 3 3.750 -66.875 -52.233 1.00 62.30 N ATOM 31 CA HIS A 3 3.012 -66.941 -50.975 1.00 61.24 C ATOM 32 C HIS A 3 3.296 -65.685 -50.150 1.00 75.23 C ATOM 33 O HIS A 3 3.673 -65.752 -48.976 1.00 31.12 O ATOM 34 CB HIS A 3 3.385 -68.212 -50.192 1.00 53.45 C ATOM 35 CG HIS A 3 2.490 -68.472 -49.015 1.00 10.41 C ATOM 36 ND1 HIS A 3 2.956 -68.614 -47.728 1.00 44.13 N ATOM 37 CD2 HIS A 3 1.146 -68.622 -48.945 1.00 54.24 C ATOM 38 CE1 HIS A 3 1.939 -68.836 -46.916 1.00 44.22 C ATOM 39 NE2 HIS A 3 0.829 -68.846 -47.629 1.00 52.33 N ATOM 0 H HIS A 3 4.647 -66.395 -52.164 1.00 62.30 H new ATOM 0 HA HIS A 3 1.944 -66.987 -51.189 1.00 61.24 H new ATOM 0 HB2 HIS A 3 3.346 -69.069 -50.865 1.00 53.45 H new ATOM 0 HB3 HIS A 3 4.414 -68.126 -49.844 1.00 53.45 H new ATOM 0 HD2 HIS A 3 0.452 -68.574 -49.772 1.00 54.24 H new ATOM 0 HE1 HIS A 3 2.005 -68.984 -45.848 1.00 44.22 H new ATOM 0 HE2 HIS A 3 -0.111 -68.996 -47.262 1.00 52.33 H new ATOM 48 N HIS A 4 3.135 -64.536 -50.801 1.00 45.44 N ATOM 49 CA HIS A 4 3.319 -63.231 -50.163 1.00 14.04 C ATOM 50 C HIS A 4 2.391 -63.070 -48.959 1.00 24.20 C ATOM 51 O HIS A 4 1.299 -63.638 -48.929 1.00 32.41 O ATOM 52 CB HIS A 4 3.072 -62.102 -51.175 1.00 31.14 C ATOM 53 CG HIS A 4 1.695 -62.110 -51.782 1.00 25.40 C ATOM 54 ND1 HIS A 4 0.838 -61.033 -51.723 1.00 41.35 N ATOM 55 CD2 HIS A 4 1.041 -63.066 -52.484 1.00 61.12 C ATOM 56 CE1 HIS A 4 -0.281 -61.328 -52.359 1.00 25.52 C ATOM 57 NE2 HIS A 4 -0.184 -62.557 -52.832 1.00 63.11 N ATOM 0 H HIS A 4 2.873 -64.481 -51.785 1.00 45.44 H new ATOM 0 HA HIS A 4 4.348 -63.172 -49.809 1.00 14.04 H new ATOM 0 HB2 HIS A 4 3.234 -61.144 -50.681 1.00 31.14 H new ATOM 0 HB3 HIS A 4 3.810 -62.177 -51.974 1.00 31.14 H new ATOM 0 HD2 HIS A 4 1.416 -64.050 -52.726 1.00 61.12 H new ATOM 0 HE1 HIS A 4 -1.133 -60.674 -52.473 1.00 25.52 H new ATOM 0 HE2 HIS A 4 -0.901 -63.047 -53.367 1.00 63.11 H new ATOM 66 N HIS A 5 2.829 -62.282 -47.979 1.00 43.15 N ATOM 67 CA HIS A 5 2.091 -62.111 -46.727 1.00 52.04 C ATOM 68 C HIS A 5 0.845 -61.254 -46.944 1.00 31.33 C ATOM 69 O HIS A 5 -0.250 -61.613 -46.516 1.00 44.54 O ATOM 70 CB HIS A 5 2.984 -61.452 -45.664 1.00 13.13 C ATOM 71 CG HIS A 5 4.331 -62.090 -45.513 1.00 51.14 C ATOM 72 ND1 HIS A 5 5.504 -61.441 -45.823 1.00 45.22 N ATOM 73 CD2 HIS A 5 4.687 -63.319 -45.074 1.00 75.11 C ATOM 74 CE1 HIS A 5 6.521 -62.242 -45.585 1.00 22.22 C ATOM 75 NE2 HIS A 5 6.055 -63.389 -45.130 1.00 71.23 N ATOM 0 H HIS A 5 3.697 -61.748 -48.028 1.00 43.15 H new ATOM 0 HA HIS A 5 1.786 -63.099 -46.381 1.00 52.04 H new ATOM 0 HB2 HIS A 5 3.119 -60.401 -45.920 1.00 13.13 H new ATOM 0 HB3 HIS A 5 2.470 -61.483 -44.703 1.00 13.13 H new ATOM 0 HD2 HIS A 5 4.018 -64.099 -44.742 1.00 75.11 H new ATOM 0 HE1 HIS A 5 7.563 -62.000 -45.737 1.00 22.22 H new ATOM 0 HE2 HIS A 5 6.620 -64.196 -44.864 1.00 71.23 H new ATOM 84 N HIS A 6 1.040 -60.106 -47.598 1.00 45.44 N ATOM 85 CA HIS A 6 -0.036 -59.139 -47.848 1.00 65.41 C ATOM 86 C HIS A 6 -0.691 -58.704 -46.529 1.00 61.41 C ATOM 87 O HIS A 6 -1.832 -58.240 -46.503 1.00 42.22 O ATOM 88 CB HIS A 6 -1.076 -59.726 -48.820 1.00 63.14 C ATOM 89 CG HIS A 6 -2.135 -58.749 -49.244 1.00 1.11 C ATOM 90 ND1 HIS A 6 -1.874 -57.664 -50.052 1.00 42.22 N ATOM 91 CD2 HIS A 6 -3.456 -58.685 -48.951 1.00 65.43 C ATOM 92 CE1 HIS A 6 -2.986 -56.979 -50.238 1.00 42.01 C ATOM 93 NE2 HIS A 6 -3.958 -57.576 -49.581 1.00 73.25 N ATOM 0 H HIS A 6 1.946 -59.820 -47.969 1.00 45.44 H new ATOM 0 HA HIS A 6 0.396 -58.253 -48.314 1.00 65.41 H new ATOM 0 HB2 HIS A 6 -0.561 -60.096 -49.707 1.00 63.14 H new ATOM 0 HB3 HIS A 6 -1.555 -60.584 -48.349 1.00 63.14 H new ATOM 0 HD2 HIS A 6 -4.010 -59.378 -48.336 1.00 65.43 H new ATOM 0 HE1 HIS A 6 -3.083 -56.080 -50.829 1.00 42.01 H new ATOM 0 HE2 HIS A 6 -4.928 -57.264 -49.546 1.00 73.25 H new ATOM 102 N HIS A 7 0.053 -58.836 -45.436 1.00 41.25 N ATOM 103 CA HIS A 7 -0.444 -58.462 -44.117 1.00 71.21 C ATOM 104 C HIS A 7 -0.105 -57.004 -43.840 1.00 1.31 C ATOM 105 O HIS A 7 1.019 -56.678 -43.458 1.00 43.01 O ATOM 106 CB HIS A 7 0.140 -59.376 -43.027 1.00 4.24 C ATOM 107 CG HIS A 7 -0.268 -60.813 -43.171 1.00 51.54 C ATOM 108 ND1 HIS A 7 0.602 -61.869 -42.991 1.00 41.15 N ATOM 109 CD2 HIS A 7 -1.466 -61.367 -43.476 1.00 64.14 C ATOM 110 CE1 HIS A 7 -0.042 -63.006 -43.182 1.00 54.14 C ATOM 111 NE2 HIS A 7 -1.297 -62.729 -43.477 1.00 55.45 N ATOM 0 H HIS A 7 1.006 -59.201 -45.438 1.00 41.25 H new ATOM 0 HA HIS A 7 -1.527 -58.585 -44.101 1.00 71.21 H new ATOM 0 HB2 HIS A 7 1.228 -59.311 -43.053 1.00 4.24 H new ATOM 0 HB3 HIS A 7 -0.178 -59.012 -42.050 1.00 4.24 H new ATOM 0 HD2 HIS A 7 -2.384 -60.836 -43.680 1.00 64.14 H new ATOM 0 HE1 HIS A 7 0.386 -63.995 -43.109 1.00 54.14 H new ATOM 0 HE2 HIS A 7 -2.025 -63.416 -43.674 1.00 55.45 H new ATOM 120 N HIS A 8 -1.077 -56.131 -44.086 1.00 21.43 N ATOM 121 CA HIS A 8 -0.898 -54.691 -43.902 1.00 5.40 C ATOM 122 C HIS A 8 -0.932 -54.318 -42.420 1.00 12.40 C ATOM 123 O HIS A 8 -1.721 -54.872 -41.647 1.00 22.00 O ATOM 124 CB HIS A 8 -1.978 -53.906 -44.664 1.00 32.05 C ATOM 125 CG HIS A 8 -3.374 -54.127 -44.159 1.00 21.35 C ATOM 126 ND1 HIS A 8 -4.147 -55.240 -44.141 1.00 12.31 N flip ATOM 127 CD2 HIS A 8 -4.141 -53.125 -43.606 1.00 33.13 C flip ATOM 128 CE1 HIS A 8 -5.351 -54.890 -43.584 1.00 71.32 C flip ATOM 129 NE2 HIS A 8 -5.321 -53.610 -43.269 1.00 14.55 N flip ATOM 0 H HIS A 8 -2.005 -56.397 -44.416 1.00 21.43 H new ATOM 0 HA HIS A 8 0.080 -54.426 -44.304 1.00 5.40 H new ATOM 0 HB2 HIS A 8 -1.747 -52.842 -44.605 1.00 32.05 H new ATOM 0 HB3 HIS A 8 -1.937 -54.183 -45.717 1.00 32.05 H new ATOM 0 HD2 HIS A 8 -3.825 -52.101 -43.469 1.00 33.13 H new ATOM 0 HE1 HIS A 8 -6.188 -55.555 -43.429 1.00 71.32 H new ATOM 0 HE2 HIS A 8 -6.081 -53.084 -42.838 1.00 14.55 H new ATOM 138 N MET A 9 -0.069 -53.385 -42.039 1.00 14.33 N ATOM 139 CA MET A 9 -0.008 -52.878 -40.672 1.00 10.20 C ATOM 140 C MET A 9 -0.574 -51.459 -40.617 1.00 4.43 C ATOM 141 O MET A 9 -0.374 -50.672 -41.545 1.00 62.05 O ATOM 142 CB MET A 9 1.446 -52.887 -40.177 1.00 34.12 C ATOM 143 CG MET A 9 1.633 -52.325 -38.772 1.00 74.25 C ATOM 144 SD MET A 9 3.372 -52.233 -38.294 1.00 10.14 S ATOM 145 CE MET A 9 3.244 -51.614 -36.617 1.00 71.55 C ATOM 0 H MET A 9 0.610 -52.957 -42.669 1.00 14.33 H new ATOM 0 HA MET A 9 -0.606 -53.521 -40.025 1.00 10.20 H new ATOM 0 HB2 MET A 9 1.819 -53.911 -40.199 1.00 34.12 H new ATOM 0 HB3 MET A 9 2.058 -52.310 -40.871 1.00 34.12 H new ATOM 0 HG2 MET A 9 1.191 -51.330 -38.720 1.00 74.25 H new ATOM 0 HG3 MET A 9 1.095 -52.950 -38.059 1.00 74.25 H new ATOM 0 HE1 MET A 9 4.242 -51.506 -36.192 1.00 71.55 H new ATOM 0 HE2 MET A 9 2.746 -50.645 -36.624 1.00 71.55 H new ATOM 0 HE3 MET A 9 2.666 -52.314 -36.014 1.00 71.55 H new ATOM 155 N GLY A 10 -1.279 -51.138 -39.538 1.00 32.43 N ATOM 156 CA GLY A 10 -1.833 -49.804 -39.380 1.00 33.53 C ATOM 157 C GLY A 10 -2.318 -49.549 -37.967 1.00 23.23 C ATOM 158 O GLY A 10 -3.074 -50.350 -37.414 1.00 62.21 O ATOM 0 H GLY A 10 -1.478 -51.778 -38.769 1.00 32.43 H new ATOM 0 HA2 GLY A 10 -1.076 -49.065 -39.641 1.00 33.53 H new ATOM 0 HA3 GLY A 10 -2.661 -49.672 -40.076 1.00 33.53 H new ATOM 162 N THR A 11 -1.875 -48.446 -37.375 1.00 34.53 N ATOM 163 CA THR A 11 -2.293 -48.075 -36.032 1.00 13.23 C ATOM 164 C THR A 11 -3.738 -47.579 -36.039 1.00 32.22 C ATOM 165 O THR A 11 -4.043 -46.527 -36.609 1.00 32.32 O ATOM 166 CB THR A 11 -1.361 -46.990 -35.444 1.00 72.22 C ATOM 167 OG1 THR A 11 -1.194 -45.921 -36.388 1.00 34.23 O ATOM 168 CG2 THR A 11 0.005 -47.571 -35.095 1.00 74.25 C ATOM 0 H THR A 11 -1.223 -47.791 -37.808 1.00 34.53 H new ATOM 0 HA THR A 11 -2.229 -48.962 -35.402 1.00 13.23 H new ATOM 0 HB THR A 11 -1.822 -46.609 -34.533 1.00 72.22 H new ATOM 0 HG1 THR A 11 -2.063 -45.689 -36.777 1.00 34.23 H new ATOM 0 HG21 THR A 11 0.640 -46.786 -34.684 1.00 74.25 H new ATOM 0 HG22 THR A 11 -0.115 -48.365 -34.357 1.00 74.25 H new ATOM 0 HG23 THR A 11 0.468 -47.978 -35.994 1.00 74.25 H new ATOM 176 N LEU A 12 -4.632 -48.357 -35.432 1.00 71.50 N ATOM 177 CA LEU A 12 -6.042 -47.989 -35.352 1.00 51.12 C ATOM 178 C LEU A 12 -6.211 -46.747 -34.480 1.00 2.41 C ATOM 179 O LEU A 12 -6.362 -46.840 -33.257 1.00 51.53 O ATOM 180 CB LEU A 12 -6.900 -49.146 -34.809 1.00 41.54 C ATOM 181 CG LEU A 12 -6.957 -50.416 -35.685 1.00 1.12 C ATOM 182 CD1 LEU A 12 -7.295 -50.072 -37.132 1.00 2.03 C ATOM 183 CD2 LEU A 12 -5.654 -51.210 -35.600 1.00 4.44 C ATOM 0 H LEU A 12 -4.404 -49.247 -34.988 1.00 71.50 H new ATOM 0 HA LEU A 12 -6.388 -47.768 -36.362 1.00 51.12 H new ATOM 0 HB2 LEU A 12 -6.520 -49.424 -33.826 1.00 41.54 H new ATOM 0 HB3 LEU A 12 -7.917 -48.781 -34.666 1.00 41.54 H new ATOM 0 HG LEU A 12 -7.755 -51.048 -35.296 1.00 1.12 H new ATOM 0 HD11 LEU A 12 -7.328 -50.986 -37.725 1.00 2.03 H new ATOM 0 HD12 LEU A 12 -8.266 -49.578 -37.171 1.00 2.03 H new ATOM 0 HD13 LEU A 12 -6.533 -49.405 -37.535 1.00 2.03 H new ATOM 0 HD21 LEU A 12 -5.727 -52.098 -36.228 1.00 4.44 H new ATOM 0 HD22 LEU A 12 -4.827 -50.589 -35.944 1.00 4.44 H new ATOM 0 HD23 LEU A 12 -5.477 -51.510 -34.567 1.00 4.44 H new ATOM 195 N GLU A 13 -6.133 -45.588 -35.120 1.00 71.43 N ATOM 196 CA GLU A 13 -6.263 -44.303 -34.446 1.00 21.04 C ATOM 197 C GLU A 13 -7.107 -43.367 -35.305 1.00 44.32 C ATOM 198 O GLU A 13 -6.684 -42.951 -36.386 1.00 71.34 O ATOM 199 CB GLU A 13 -4.866 -43.716 -34.187 1.00 3.43 C ATOM 200 CG GLU A 13 -4.864 -42.383 -33.445 1.00 72.42 C ATOM 201 CD GLU A 13 -3.464 -41.961 -33.021 1.00 50.02 C ATOM 202 OE1 GLU A 13 -2.716 -41.411 -33.858 1.00 62.43 O ATOM 203 OE2 GLU A 13 -3.099 -42.191 -31.849 1.00 21.45 O ATOM 0 H GLU A 13 -5.977 -45.512 -36.125 1.00 71.43 H new ATOM 0 HA GLU A 13 -6.761 -44.430 -33.485 1.00 21.04 H new ATOM 0 HB2 GLU A 13 -4.284 -44.437 -33.613 1.00 3.43 H new ATOM 0 HB3 GLU A 13 -4.358 -43.585 -35.143 1.00 3.43 H new ATOM 0 HG2 GLU A 13 -5.295 -41.613 -34.084 1.00 72.42 H new ATOM 0 HG3 GLU A 13 -5.501 -42.459 -32.564 1.00 72.42 H new ATOM 210 N ALA A 14 -8.315 -43.065 -34.830 1.00 72.45 N ATOM 211 CA ALA A 14 -9.276 -42.271 -35.594 1.00 22.35 C ATOM 212 C ALA A 14 -10.041 -41.310 -34.685 1.00 63.12 C ATOM 213 O ALA A 14 -11.221 -41.029 -34.910 1.00 72.22 O ATOM 214 CB ALA A 14 -10.243 -43.198 -36.327 1.00 2.03 C ATOM 0 H ALA A 14 -8.653 -43.361 -33.914 1.00 72.45 H new ATOM 0 HA ALA A 14 -8.730 -41.674 -36.324 1.00 22.35 H new ATOM 0 HB1 ALA A 14 -10.958 -42.603 -36.895 1.00 2.03 H new ATOM 0 HB2 ALA A 14 -9.685 -43.842 -37.007 1.00 2.03 H new ATOM 0 HB3 ALA A 14 -10.778 -43.812 -35.603 1.00 2.03 H new ATOM 220 N GLN A 15 -9.358 -40.798 -33.664 1.00 2.04 N ATOM 221 CA GLN A 15 -9.965 -39.840 -32.744 1.00 24.44 C ATOM 222 C GLN A 15 -10.243 -38.520 -33.466 1.00 22.42 C ATOM 223 O GLN A 15 -9.359 -37.673 -33.608 1.00 65.33 O ATOM 224 CB GLN A 15 -9.063 -39.609 -31.516 1.00 35.54 C ATOM 225 CG GLN A 15 -9.630 -38.608 -30.504 1.00 1.34 C ATOM 226 CD GLN A 15 -10.995 -39.014 -29.964 1.00 30.44 C ATOM 227 OE1 GLN A 15 -12.032 -38.651 -30.522 1.00 73.05 O ATOM 228 NE2 GLN A 15 -11.005 -39.763 -28.873 1.00 13.14 N ATOM 0 H GLN A 15 -8.387 -41.030 -33.453 1.00 2.04 H new ATOM 0 HA GLN A 15 -10.911 -40.252 -32.392 1.00 24.44 H new ATOM 0 HB2 GLN A 15 -8.899 -40.563 -31.015 1.00 35.54 H new ATOM 0 HB3 GLN A 15 -8.089 -39.255 -31.855 1.00 35.54 H new ATOM 0 HG2 GLN A 15 -8.932 -38.506 -29.673 1.00 1.34 H new ATOM 0 HG3 GLN A 15 -9.709 -37.629 -30.976 1.00 1.34 H new ATOM 0 HE21 GLN A 15 -10.126 -40.044 -28.439 1.00 13.14 H new ATOM 0 HE22 GLN A 15 -11.892 -40.059 -28.466 1.00 13.14 H new ATOM 237 N THR A 16 -11.465 -38.381 -33.961 1.00 51.14 N ATOM 238 CA THR A 16 -11.897 -37.166 -34.628 1.00 52.51 C ATOM 239 C THR A 16 -12.461 -36.178 -33.603 1.00 40.13 C ATOM 240 O THR A 16 -13.600 -36.321 -33.146 1.00 51.13 O ATOM 241 CB THR A 16 -12.963 -37.484 -35.702 1.00 11.31 C ATOM 242 OG1 THR A 16 -12.471 -38.513 -36.576 1.00 65.40 O ATOM 243 CG2 THR A 16 -13.318 -36.246 -36.520 1.00 41.52 C ATOM 0 H THR A 16 -12.181 -39.106 -33.911 1.00 51.14 H new ATOM 0 HA THR A 16 -11.035 -36.716 -35.120 1.00 52.51 H new ATOM 0 HB THR A 16 -13.865 -37.824 -35.194 1.00 11.31 H new ATOM 0 HG1 THR A 16 -13.147 -38.716 -37.256 1.00 65.40 H new ATOM 0 HG21 THR A 16 -14.070 -36.506 -37.265 1.00 41.52 H new ATOM 0 HG22 THR A 16 -13.713 -35.474 -35.859 1.00 41.52 H new ATOM 0 HG23 THR A 16 -12.425 -35.872 -37.021 1.00 41.52 H new ATOM 251 N GLN A 17 -11.646 -35.201 -33.220 1.00 32.42 N ATOM 252 CA GLN A 17 -12.042 -34.201 -32.234 1.00 51.23 C ATOM 253 C GLN A 17 -11.778 -32.795 -32.766 1.00 30.41 C ATOM 254 O GLN A 17 -10.818 -32.577 -33.506 1.00 31.24 O ATOM 255 CB GLN A 17 -11.284 -34.423 -30.914 1.00 54.23 C ATOM 256 CG GLN A 17 -9.761 -34.369 -31.052 1.00 74.01 C ATOM 257 CD GLN A 17 -9.036 -34.644 -29.743 1.00 13.51 C ATOM 258 OE1 GLN A 17 -9.530 -35.377 -28.886 1.00 30.33 O ATOM 259 NE2 GLN A 17 -7.856 -34.063 -29.583 1.00 74.31 N ATOM 0 H GLN A 17 -10.700 -35.080 -33.581 1.00 32.42 H new ATOM 0 HA GLN A 17 -13.110 -34.305 -32.045 1.00 51.23 H new ATOM 0 HB2 GLN A 17 -11.600 -33.668 -30.194 1.00 54.23 H new ATOM 0 HB3 GLN A 17 -11.567 -35.392 -30.504 1.00 54.23 H new ATOM 0 HG2 GLN A 17 -9.443 -35.098 -31.797 1.00 74.01 H new ATOM 0 HG3 GLN A 17 -9.470 -33.386 -31.423 1.00 74.01 H new ATOM 0 HE21 GLN A 17 -7.480 -33.462 -30.316 1.00 74.31 H new ATOM 0 HE22 GLN A 17 -7.324 -34.217 -28.727 1.00 74.31 H new ATOM 268 N GLY A 18 -12.645 -31.856 -32.396 1.00 45.01 N ATOM 269 CA GLY A 18 -12.480 -30.470 -32.802 1.00 32.05 C ATOM 270 C GLY A 18 -13.235 -30.138 -34.080 1.00 22.41 C ATOM 271 O GLY A 18 -13.517 -31.030 -34.885 1.00 30.02 O ATOM 0 H GLY A 18 -13.466 -32.033 -31.817 1.00 45.01 H new ATOM 0 HA2 GLY A 18 -12.826 -29.817 -32.001 1.00 32.05 H new ATOM 0 HA3 GLY A 18 -11.420 -30.262 -32.947 1.00 32.05 H new ATOM 275 N PRO A 19 -13.570 -28.851 -34.295 1.00 55.32 N ATOM 276 CA PRO A 19 -14.296 -28.415 -35.492 1.00 11.14 C ATOM 277 C PRO A 19 -13.408 -28.450 -36.738 1.00 0.34 C ATOM 278 O PRO A 19 -12.412 -27.728 -36.824 1.00 64.54 O ATOM 279 CB PRO A 19 -14.710 -26.976 -35.148 1.00 61.35 C ATOM 280 CG PRO A 19 -13.677 -26.506 -34.178 1.00 20.44 C ATOM 281 CD PRO A 19 -13.256 -27.723 -33.391 1.00 71.31 C ATOM 0 HA PRO A 19 -15.141 -29.061 -35.729 1.00 11.14 H new ATOM 0 HB2 PRO A 19 -14.733 -26.347 -36.038 1.00 61.35 H new ATOM 0 HB3 PRO A 19 -15.708 -26.945 -34.710 1.00 61.35 H new ATOM 0 HG2 PRO A 19 -12.827 -26.065 -34.698 1.00 20.44 H new ATOM 0 HG3 PRO A 19 -14.082 -25.737 -33.520 1.00 20.44 H new ATOM 0 HD2 PRO A 19 -12.195 -27.692 -33.143 1.00 71.31 H new ATOM 0 HD3 PRO A 19 -13.801 -27.800 -32.450 1.00 71.31 H new ATOM 289 N GLY A 20 -13.760 -29.313 -37.688 1.00 10.05 N ATOM 290 CA GLY A 20 -12.983 -29.454 -38.908 1.00 74.10 C ATOM 291 C GLY A 20 -12.059 -30.653 -38.849 1.00 65.13 C ATOM 292 O GLY A 20 -11.274 -30.885 -39.771 1.00 74.44 O ATOM 0 H GLY A 20 -14.577 -29.922 -37.633 1.00 10.05 H new ATOM 0 HA2 GLY A 20 -13.657 -29.555 -39.759 1.00 74.10 H new ATOM 0 HA3 GLY A 20 -12.396 -28.550 -39.072 1.00 74.10 H new ATOM 296 N SER A 21 -12.160 -31.414 -37.758 1.00 30.53 N ATOM 297 CA SER A 21 -11.346 -32.613 -37.556 1.00 4.43 C ATOM 298 C SER A 21 -9.838 -32.290 -37.577 1.00 25.13 C ATOM 299 O SER A 21 -9.065 -32.947 -38.282 1.00 5.22 O ATOM 300 CB SER A 21 -11.691 -33.652 -38.633 1.00 44.22 C ATOM 301 OG SER A 21 -13.092 -33.889 -38.682 1.00 33.34 O ATOM 0 H SER A 21 -12.805 -31.218 -36.993 1.00 30.53 H new ATOM 0 HA SER A 21 -11.573 -33.020 -36.571 1.00 4.43 H new ATOM 0 HB2 SER A 21 -11.343 -33.302 -39.605 1.00 44.22 H new ATOM 0 HB3 SER A 21 -11.168 -34.585 -38.424 1.00 44.22 H new ATOM 0 HG SER A 21 -13.287 -34.553 -39.376 1.00 33.34 H new ATOM 307 N PRO A 22 -9.388 -31.294 -36.781 1.00 74.53 N ATOM 308 CA PRO A 22 -7.991 -30.892 -36.732 1.00 53.05 C ATOM 309 C PRO A 22 -7.214 -31.682 -35.677 1.00 14.45 C ATOM 310 O PRO A 22 -7.202 -31.323 -34.500 1.00 2.32 O ATOM 311 CB PRO A 22 -8.069 -29.396 -36.366 1.00 32.50 C ATOM 312 CG PRO A 22 -9.463 -29.162 -35.841 1.00 73.23 C ATOM 313 CD PRO A 22 -10.180 -30.492 -35.845 1.00 50.00 C ATOM 0 HA PRO A 22 -7.464 -31.078 -37.668 1.00 53.05 H new ATOM 0 HB2 PRO A 22 -7.322 -29.140 -35.614 1.00 32.50 H new ATOM 0 HB3 PRO A 22 -7.872 -28.772 -37.237 1.00 32.50 H new ATOM 0 HG2 PRO A 22 -9.428 -28.748 -34.833 1.00 73.23 H new ATOM 0 HG3 PRO A 22 -9.991 -28.440 -36.464 1.00 73.23 H new ATOM 0 HD2 PRO A 22 -10.205 -30.940 -34.851 1.00 50.00 H new ATOM 0 HD3 PRO A 22 -11.214 -30.392 -36.175 1.00 50.00 H new ATOM 321 N GLU A 23 -6.599 -32.781 -36.099 1.00 31.13 N ATOM 322 CA GLU A 23 -5.810 -33.613 -35.196 1.00 2.43 C ATOM 323 C GLU A 23 -4.573 -32.856 -34.710 1.00 50.22 C ATOM 324 O GLU A 23 -3.878 -32.209 -35.501 1.00 63.33 O ATOM 325 CB GLU A 23 -5.405 -34.920 -35.896 1.00 32.34 C ATOM 326 CG GLU A 23 -4.641 -34.709 -37.199 1.00 31.05 C ATOM 327 CD GLU A 23 -4.206 -36.013 -37.845 1.00 11.01 C ATOM 328 OE1 GLU A 23 -3.144 -36.545 -37.461 1.00 31.24 O ATOM 329 OE2 GLU A 23 -4.922 -36.509 -38.738 1.00 72.13 O ATOM 0 H GLU A 23 -6.631 -33.117 -37.061 1.00 31.13 H new ATOM 0 HA GLU A 23 -6.421 -33.859 -34.327 1.00 2.43 H new ATOM 0 HB2 GLU A 23 -4.790 -35.510 -35.216 1.00 32.34 H new ATOM 0 HB3 GLU A 23 -6.302 -35.504 -36.102 1.00 32.34 H new ATOM 0 HG2 GLU A 23 -5.269 -34.155 -37.897 1.00 31.05 H new ATOM 0 HG3 GLU A 23 -3.762 -34.095 -37.004 1.00 31.05 H new ATOM 336 N GLY A 24 -4.311 -32.928 -33.407 1.00 33.14 N ATOM 337 CA GLY A 24 -3.151 -32.266 -32.833 1.00 73.02 C ATOM 338 C GLY A 24 -3.516 -31.050 -32.000 1.00 74.44 C ATOM 339 O GLY A 24 -2.628 -30.346 -31.509 1.00 72.20 O ATOM 0 H GLY A 24 -4.885 -33.436 -32.735 1.00 33.14 H new ATOM 0 HA2 GLY A 24 -2.605 -32.975 -32.211 1.00 73.02 H new ATOM 0 HA3 GLY A 24 -2.479 -31.962 -33.635 1.00 73.02 H new ATOM 343 N VAL A 25 -4.813 -30.794 -31.846 1.00 72.40 N ATOM 344 CA VAL A 25 -5.289 -29.684 -31.017 1.00 22.33 C ATOM 345 C VAL A 25 -5.802 -30.207 -29.670 1.00 61.30 C ATOM 346 O VAL A 25 -6.532 -31.203 -29.621 1.00 30.12 O ATOM 347 CB VAL A 25 -6.405 -28.866 -31.727 1.00 54.23 C ATOM 348 CG1 VAL A 25 -5.906 -28.304 -33.058 1.00 44.42 C ATOM 349 CG2 VAL A 25 -7.662 -29.711 -31.934 1.00 24.31 C ATOM 0 H VAL A 25 -5.555 -31.339 -32.284 1.00 72.40 H new ATOM 0 HA VAL A 25 -4.443 -29.018 -30.850 1.00 22.33 H new ATOM 0 HB VAL A 25 -6.666 -28.029 -31.080 1.00 54.23 H new ATOM 0 HG11 VAL A 25 -6.704 -27.736 -33.535 1.00 44.42 H new ATOM 0 HG12 VAL A 25 -5.052 -27.650 -32.880 1.00 44.42 H new ATOM 0 HG13 VAL A 25 -5.605 -29.124 -33.709 1.00 44.42 H new ATOM 0 HG21 VAL A 25 -8.425 -29.113 -32.432 1.00 24.31 H new ATOM 0 HG22 VAL A 25 -7.421 -30.577 -32.550 1.00 24.31 H new ATOM 0 HG23 VAL A 25 -8.038 -30.046 -30.968 1.00 24.31 H new ATOM 359 N PRO A 26 -5.400 -29.562 -28.556 1.00 53.20 N ATOM 360 CA PRO A 26 -5.793 -29.971 -27.215 1.00 53.23 C ATOM 361 C PRO A 26 -7.038 -29.234 -26.706 1.00 63.22 C ATOM 362 O PRO A 26 -7.000 -28.029 -26.451 1.00 4.41 O ATOM 363 CB PRO A 26 -4.556 -29.595 -26.395 1.00 71.45 C ATOM 364 CG PRO A 26 -3.976 -28.394 -27.086 1.00 61.30 C ATOM 365 CD PRO A 26 -4.503 -28.392 -28.509 1.00 20.30 C ATOM 0 HA PRO A 26 -6.071 -31.023 -27.159 1.00 53.23 H new ATOM 0 HB2 PRO A 26 -4.822 -29.365 -25.363 1.00 71.45 H new ATOM 0 HB3 PRO A 26 -3.840 -30.416 -26.364 1.00 71.45 H new ATOM 0 HG2 PRO A 26 -4.262 -27.478 -26.569 1.00 61.30 H new ATOM 0 HG3 PRO A 26 -2.887 -28.436 -27.080 1.00 61.30 H new ATOM 0 HD2 PRO A 26 -5.037 -27.469 -28.736 1.00 20.30 H new ATOM 0 HD3 PRO A 26 -3.694 -28.479 -29.235 1.00 20.30 H new ATOM 373 N PRO A 27 -8.173 -29.940 -26.575 1.00 22.12 N ATOM 374 CA PRO A 27 -9.384 -29.356 -26.002 1.00 12.14 C ATOM 375 C PRO A 27 -9.248 -29.179 -24.487 1.00 32.44 C ATOM 376 O PRO A 27 -9.392 -30.137 -23.726 1.00 51.44 O ATOM 377 CB PRO A 27 -10.476 -30.376 -26.357 1.00 2.02 C ATOM 378 CG PRO A 27 -9.755 -31.678 -26.486 1.00 33.14 C ATOM 379 CD PRO A 27 -8.369 -31.348 -26.983 1.00 24.33 C ATOM 0 HA PRO A 27 -9.601 -28.360 -26.387 1.00 12.14 H new ATOM 0 HB2 PRO A 27 -11.241 -30.423 -25.582 1.00 2.02 H new ATOM 0 HB3 PRO A 27 -10.980 -30.109 -27.286 1.00 2.02 H new ATOM 0 HG2 PRO A 27 -9.711 -32.195 -25.527 1.00 33.14 H new ATOM 0 HG3 PRO A 27 -10.270 -32.340 -27.182 1.00 33.14 H new ATOM 0 HD2 PRO A 27 -7.619 -32.001 -26.538 1.00 24.33 H new ATOM 0 HD3 PRO A 27 -8.293 -31.465 -28.064 1.00 24.33 H new ATOM 387 N THR A 28 -8.938 -27.955 -24.062 1.00 45.53 N ATOM 388 CA THR A 28 -8.700 -27.664 -22.651 1.00 23.35 C ATOM 389 C THR A 28 -9.921 -27.925 -21.800 1.00 32.41 C ATOM 390 O THR A 28 -9.982 -28.844 -20.981 1.00 52.34 O ATOM 391 CB THR A 28 -8.222 -26.204 -22.452 1.00 42.45 C ATOM 392 OG1 THR A 28 -7.127 -25.920 -23.334 1.00 3.44 O ATOM 393 CG2 THR A 28 -7.788 -25.958 -21.007 1.00 14.13 C ATOM 0 H THR A 28 -8.846 -27.147 -24.678 1.00 45.53 H new ATOM 0 HA THR A 28 -7.912 -28.343 -22.324 1.00 23.35 H new ATOM 0 HB THR A 28 -9.058 -25.543 -22.681 1.00 42.45 H new ATOM 0 HG1 THR A 28 -6.833 -24.995 -23.203 1.00 3.44 H new ATOM 0 HG21 THR A 28 -7.458 -24.925 -20.897 1.00 14.13 H new ATOM 0 HG22 THR A 28 -8.628 -26.143 -20.338 1.00 14.13 H new ATOM 0 HG23 THR A 28 -6.968 -26.630 -20.754 1.00 14.13 H new ATOM 401 N ASP A 29 -10.860 -27.088 -22.034 1.00 43.22 N ATOM 402 CA ASP A 29 -12.135 -27.065 -21.306 1.00 33.15 C ATOM 403 C ASP A 29 -13.324 -27.062 -22.268 1.00 10.15 C ATOM 404 O ASP A 29 -14.054 -28.050 -22.382 1.00 40.43 O ATOM 405 CB ASP A 29 -12.180 -25.827 -20.398 1.00 41.45 C ATOM 406 CG ASP A 29 -13.560 -25.555 -19.821 1.00 41.33 C ATOM 407 OD1 ASP A 29 -13.993 -26.285 -18.911 1.00 53.41 O ATOM 408 OD2 ASP A 29 -14.228 -24.617 -20.298 1.00 72.33 O ATOM 0 H ASP A 29 -10.791 -26.367 -22.752 1.00 43.22 H new ATOM 0 HA ASP A 29 -12.205 -27.967 -20.698 1.00 33.15 H new ATOM 0 HB2 ASP A 29 -11.471 -25.959 -19.580 1.00 41.45 H new ATOM 0 HB3 ASP A 29 -11.853 -24.956 -20.966 1.00 41.45 H new ATOM 413 N ARG A 30 -13.507 -25.951 -22.974 1.00 41.34 N ATOM 414 CA ARG A 30 -14.577 -25.827 -23.965 1.00 50.12 C ATOM 415 C ARG A 30 -13.994 -25.387 -25.303 1.00 1.41 C ATOM 416 O ARG A 30 -14.714 -25.252 -26.294 1.00 73.43 O ATOM 417 CB ARG A 30 -15.643 -24.813 -23.489 1.00 54.12 C ATOM 418 CG ARG A 30 -17.057 -25.387 -23.359 1.00 21.54 C ATOM 419 CD ARG A 30 -17.140 -26.465 -22.285 1.00 40.24 C ATOM 420 NE ARG A 30 -16.564 -26.005 -21.020 1.00 70.52 N ATOM 421 CZ ARG A 30 -17.257 -25.710 -19.922 1.00 52.34 C ATOM 422 NH1 ARG A 30 -18.579 -25.858 -19.889 1.00 32.25 N ATOM 423 NH2 ARG A 30 -16.611 -25.274 -18.851 1.00 22.53 N ATOM 0 H ARG A 30 -12.926 -25.118 -22.879 1.00 41.34 H new ATOM 0 HA ARG A 30 -15.056 -26.798 -24.086 1.00 50.12 H new ATOM 0 HB2 ARG A 30 -15.338 -24.412 -22.523 1.00 54.12 H new ATOM 0 HB3 ARG A 30 -15.667 -23.977 -24.188 1.00 54.12 H new ATOM 0 HG2 ARG A 30 -17.754 -24.583 -23.120 1.00 21.54 H new ATOM 0 HG3 ARG A 30 -17.368 -25.805 -24.317 1.00 21.54 H new ATOM 0 HD2 ARG A 30 -18.181 -26.748 -22.131 1.00 40.24 H new ATOM 0 HD3 ARG A 30 -16.614 -27.358 -22.622 1.00 40.24 H new ATOM 0 HE ARG A 30 -15.550 -25.902 -20.976 1.00 70.52 H new ATOM 0 HH11 ARG A 30 -19.074 -26.201 -20.712 1.00 32.25 H new ATOM 0 HH12 ARG A 30 -19.097 -25.628 -19.041 1.00 32.25 H new ATOM 0 HH21 ARG A 30 -15.597 -25.168 -18.875 1.00 22.53 H new ATOM 0 HH22 ARG A 30 -17.128 -25.044 -18.002 1.00 22.53 H new ATOM 437 N PHE A 31 -12.682 -25.174 -25.325 1.00 5.02 N ATOM 438 CA PHE A 31 -12.002 -24.673 -26.511 1.00 30.21 C ATOM 439 C PHE A 31 -10.789 -25.547 -26.826 1.00 11.12 C ATOM 440 O PHE A 31 -10.056 -25.935 -25.916 1.00 60.42 O ATOM 441 CB PHE A 31 -11.544 -23.223 -26.288 1.00 54.15 C ATOM 442 CG PHE A 31 -12.652 -22.283 -25.874 1.00 41.22 C ATOM 443 CD1 PHE A 31 -13.475 -21.696 -26.826 1.00 64.33 C ATOM 444 CD2 PHE A 31 -12.874 -21.996 -24.534 1.00 24.24 C ATOM 445 CE1 PHE A 31 -14.493 -20.840 -26.448 1.00 34.10 C ATOM 446 CE2 PHE A 31 -13.889 -21.140 -24.154 1.00 62.10 C ATOM 447 CZ PHE A 31 -14.702 -20.563 -25.112 1.00 23.03 C ATOM 0 H PHE A 31 -12.067 -25.342 -24.529 1.00 5.02 H new ATOM 0 HA PHE A 31 -12.698 -24.703 -27.350 1.00 30.21 H new ATOM 0 HB2 PHE A 31 -10.768 -23.212 -25.523 1.00 54.15 H new ATOM 0 HB3 PHE A 31 -11.091 -22.851 -27.207 1.00 54.15 H new ATOM 0 HD1 PHE A 31 -13.318 -21.910 -27.873 1.00 64.33 H new ATOM 0 HD2 PHE A 31 -12.246 -22.447 -23.780 1.00 24.24 H new ATOM 0 HE1 PHE A 31 -15.125 -20.388 -27.198 1.00 34.10 H new ATOM 0 HE2 PHE A 31 -14.048 -20.921 -23.108 1.00 62.10 H new ATOM 0 HZ PHE A 31 -15.499 -19.897 -24.816 1.00 23.03 H new ATOM 457 N PRO A 32 -10.581 -25.893 -28.111 1.00 23.40 N ATOM 458 CA PRO A 32 -9.372 -26.593 -28.555 1.00 61.21 C ATOM 459 C PRO A 32 -8.212 -25.620 -28.783 1.00 12.12 C ATOM 460 O PRO A 32 -7.116 -26.020 -29.177 1.00 45.31 O ATOM 461 CB PRO A 32 -9.818 -27.245 -29.867 1.00 34.33 C ATOM 462 CG PRO A 32 -10.852 -26.317 -30.417 1.00 12.11 C ATOM 463 CD PRO A 32 -11.520 -25.655 -29.230 1.00 51.11 C ATOM 0 HA PRO A 32 -8.999 -27.309 -27.823 1.00 61.21 H new ATOM 0 HB2 PRO A 32 -8.982 -27.360 -30.557 1.00 34.33 H new ATOM 0 HB3 PRO A 32 -10.229 -28.240 -29.696 1.00 34.33 H new ATOM 0 HG2 PRO A 32 -10.396 -25.572 -31.069 1.00 12.11 H new ATOM 0 HG3 PRO A 32 -11.581 -26.862 -31.017 1.00 12.11 H new ATOM 0 HD2 PRO A 32 -11.674 -24.590 -29.402 1.00 51.11 H new ATOM 0 HD3 PRO A 32 -12.499 -26.090 -29.029 1.00 51.11 H new ATOM 471 N LEU A 33 -8.479 -24.335 -28.544 1.00 21.14 N ATOM 472 CA LEU A 33 -7.460 -23.294 -28.628 1.00 43.40 C ATOM 473 C LEU A 33 -7.017 -22.894 -27.226 1.00 31.24 C ATOM 474 O LEU A 33 -7.755 -23.079 -26.258 1.00 3.30 O ATOM 475 CB LEU A 33 -7.981 -22.053 -29.378 1.00 65.01 C ATOM 476 CG LEU A 33 -8.264 -22.228 -30.886 1.00 10.43 C ATOM 477 CD1 LEU A 33 -7.065 -22.852 -31.601 1.00 12.42 C ATOM 478 CD2 LEU A 33 -9.530 -23.048 -31.124 1.00 72.02 C ATOM 0 H LEU A 33 -9.404 -23.990 -28.288 1.00 21.14 H new ATOM 0 HA LEU A 33 -6.614 -23.696 -29.185 1.00 43.40 H new ATOM 0 HB2 LEU A 33 -8.900 -21.723 -28.894 1.00 65.01 H new ATOM 0 HB3 LEU A 33 -7.252 -21.251 -29.258 1.00 65.01 H new ATOM 0 HG LEU A 33 -8.429 -21.236 -31.307 1.00 10.43 H new ATOM 0 HD11 LEU A 33 -7.292 -22.964 -32.661 1.00 12.42 H new ATOM 0 HD12 LEU A 33 -6.194 -22.207 -31.482 1.00 12.42 H new ATOM 0 HD13 LEU A 33 -6.853 -23.831 -31.170 1.00 12.42 H new ATOM 0 HD21 LEU A 33 -9.700 -23.152 -32.196 1.00 72.02 H new ATOM 0 HD22 LEU A 33 -9.413 -24.035 -30.677 1.00 72.02 H new ATOM 0 HD23 LEU A 33 -10.382 -22.543 -30.669 1.00 72.02 H new ATOM 490 N LEU A 34 -5.819 -22.332 -27.131 1.00 14.54 N ATOM 491 CA LEU A 34 -5.249 -21.917 -25.854 1.00 1.15 C ATOM 492 C LEU A 34 -4.600 -20.542 -25.999 1.00 23.24 C ATOM 493 O LEU A 34 -3.576 -20.242 -25.379 1.00 75.43 O ATOM 494 CB LEU A 34 -4.225 -22.955 -25.357 1.00 54.33 C ATOM 495 CG LEU A 34 -3.094 -23.325 -26.343 1.00 63.34 C ATOM 496 CD1 LEU A 34 -1.932 -23.985 -25.605 1.00 52.15 C ATOM 497 CD2 LEU A 34 -3.605 -24.259 -27.444 1.00 55.35 C ATOM 0 H LEU A 34 -5.216 -22.151 -27.934 1.00 14.54 H new ATOM 0 HA LEU A 34 -6.047 -21.851 -25.114 1.00 1.15 H new ATOM 0 HB2 LEU A 34 -3.771 -22.577 -24.441 1.00 54.33 H new ATOM 0 HB3 LEU A 34 -4.762 -23.867 -25.094 1.00 54.33 H new ATOM 0 HG LEU A 34 -2.744 -22.402 -26.806 1.00 63.34 H new ATOM 0 HD11 LEU A 34 -1.146 -24.238 -26.316 1.00 52.15 H new ATOM 0 HD12 LEU A 34 -1.537 -23.296 -24.858 1.00 52.15 H new ATOM 0 HD13 LEU A 34 -2.282 -24.893 -25.113 1.00 52.15 H new ATOM 0 HD21 LEU A 34 -2.788 -24.502 -28.123 1.00 55.35 H new ATOM 0 HD22 LEU A 34 -3.989 -25.175 -26.995 1.00 55.35 H new ATOM 0 HD23 LEU A 34 -4.403 -23.765 -27.999 1.00 55.35 H new ATOM 509 N ALA A 35 -5.217 -19.701 -26.822 1.00 40.20 N ATOM 510 CA ALA A 35 -4.720 -18.353 -27.068 1.00 32.23 C ATOM 511 C ALA A 35 -5.133 -17.400 -25.944 1.00 54.11 C ATOM 512 O ALA A 35 -6.160 -16.720 -26.033 1.00 20.41 O ATOM 513 CB ALA A 35 -5.207 -17.841 -28.424 1.00 0.34 C ATOM 0 H ALA A 35 -6.069 -19.932 -27.333 1.00 40.20 H new ATOM 0 HA ALA A 35 -3.631 -18.391 -27.087 1.00 32.23 H new ATOM 0 HB1 ALA A 35 -4.826 -16.833 -28.591 1.00 0.34 H new ATOM 0 HB2 ALA A 35 -4.846 -18.500 -29.213 1.00 0.34 H new ATOM 0 HB3 ALA A 35 -6.297 -17.824 -28.436 1.00 0.34 H new ATOM 519 N LEU A 36 -4.346 -17.388 -24.873 1.00 11.44 N ATOM 520 CA LEU A 36 -4.553 -16.459 -23.761 1.00 70.21 C ATOM 521 C LEU A 36 -4.212 -15.034 -24.207 1.00 54.41 C ATOM 522 O LEU A 36 -3.054 -14.613 -24.140 1.00 32.22 O ATOM 523 CB LEU A 36 -3.687 -16.859 -22.550 1.00 21.24 C ATOM 524 CG LEU A 36 -4.189 -18.054 -21.712 1.00 12.54 C ATOM 525 CD1 LEU A 36 -4.439 -19.283 -22.580 1.00 32.02 C ATOM 526 CD2 LEU A 36 -3.186 -18.377 -20.606 1.00 4.31 C ATOM 0 H LEU A 36 -3.552 -18.016 -24.749 1.00 11.44 H new ATOM 0 HA LEU A 36 -5.600 -16.500 -23.461 1.00 70.21 H new ATOM 0 HB2 LEU A 36 -2.684 -17.091 -22.909 1.00 21.24 H new ATOM 0 HB3 LEU A 36 -3.598 -15.994 -21.893 1.00 21.24 H new ATOM 0 HG LEU A 36 -5.140 -17.771 -21.261 1.00 12.54 H new ATOM 0 HD11 LEU A 36 -4.791 -20.104 -21.955 1.00 32.02 H new ATOM 0 HD12 LEU A 36 -5.193 -19.050 -23.332 1.00 32.02 H new ATOM 0 HD13 LEU A 36 -3.512 -19.575 -23.073 1.00 32.02 H new ATOM 0 HD21 LEU A 36 -3.549 -19.221 -20.020 1.00 4.31 H new ATOM 0 HD22 LEU A 36 -2.224 -18.631 -21.050 1.00 4.31 H new ATOM 0 HD23 LEU A 36 -3.068 -17.509 -19.957 1.00 4.31 H new ATOM 538 N LEU A 37 -5.221 -14.306 -24.683 1.00 13.52 N ATOM 539 CA LEU A 37 -5.016 -12.960 -25.231 1.00 21.25 C ATOM 540 C LEU A 37 -5.460 -11.885 -24.252 1.00 14.11 C ATOM 541 O LEU A 37 -5.750 -10.753 -24.641 1.00 53.31 O ATOM 542 CB LEU A 37 -5.757 -12.815 -26.566 1.00 71.04 C ATOM 543 CG LEU A 37 -5.348 -13.820 -27.656 1.00 45.01 C ATOM 544 CD1 LEU A 37 -6.199 -13.637 -28.910 1.00 73.25 C ATOM 545 CD2 LEU A 37 -3.860 -13.684 -27.980 1.00 10.31 C ATOM 0 H LEU A 37 -6.190 -14.623 -24.702 1.00 13.52 H new ATOM 0 HA LEU A 37 -3.948 -12.825 -25.403 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -6.826 -12.918 -26.382 1.00 71.04 H new ATOM 0 HB3 LEU A 37 -5.595 -11.806 -26.945 1.00 71.04 H new ATOM 0 HG LEU A 37 -5.523 -14.827 -27.277 1.00 45.01 H new ATOM 0 HD11 LEU A 37 -5.892 -14.359 -29.667 1.00 73.25 H new ATOM 0 HD12 LEU A 37 -7.249 -13.795 -28.663 1.00 73.25 H new ATOM 0 HD13 LEU A 37 -6.065 -12.627 -29.296 1.00 73.25 H new ATOM 0 HD21 LEU A 37 -3.589 -14.403 -28.753 1.00 10.31 H new ATOM 0 HD22 LEU A 37 -3.656 -12.674 -28.336 1.00 10.31 H new ATOM 0 HD23 LEU A 37 -3.273 -13.878 -27.082 1.00 10.31 H new ATOM 557 N ARG A 38 -5.461 -12.240 -22.981 1.00 2.14 N ATOM 558 CA ARG A 38 -5.885 -11.341 -21.907 1.00 45.54 C ATOM 559 C ARG A 38 -5.183 -11.716 -20.605 1.00 2.05 C ATOM 560 O ARG A 38 -4.635 -12.811 -20.483 1.00 21.04 O ATOM 561 CB ARG A 38 -7.414 -11.396 -21.703 1.00 41.41 C ATOM 562 CG ARG A 38 -8.229 -10.895 -22.895 1.00 14.00 C ATOM 563 CD ARG A 38 -8.035 -9.397 -23.140 1.00 71.31 C ATOM 564 NE ARG A 38 -8.518 -8.574 -22.022 1.00 2.14 N ATOM 565 CZ ARG A 38 -8.682 -7.246 -22.086 1.00 52.02 C ATOM 566 NH1 ARG A 38 -8.403 -6.593 -23.207 1.00 34.34 N ATOM 567 NH2 ARG A 38 -9.125 -6.575 -21.028 1.00 41.24 N ATOM 0 H ARG A 38 -5.168 -13.161 -22.656 1.00 2.14 H new ATOM 0 HA ARG A 38 -5.612 -10.325 -22.192 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -7.703 -12.425 -21.488 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -7.673 -10.802 -20.826 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -7.940 -11.448 -23.789 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -9.286 -11.099 -22.722 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -6.977 -9.194 -23.305 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -8.561 -9.111 -24.051 1.00 71.31 H new ATOM 0 HE ARG A 38 -8.742 -9.043 -21.144 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -8.063 -7.102 -24.023 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -8.529 -5.582 -23.253 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -9.341 -7.071 -20.163 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -9.249 -5.564 -21.080 1.00 41.24 H new ATOM 581 N ARG A 39 -5.187 -10.794 -19.650 1.00 13.43 N ATOM 582 CA ARG A 39 -4.653 -11.055 -18.314 1.00 31.22 C ATOM 583 C ARG A 39 -5.771 -11.522 -17.393 1.00 12.54 C ATOM 584 O ARG A 39 -5.622 -12.477 -16.634 1.00 64.51 O ATOM 585 CB ARG A 39 -4.012 -9.792 -17.720 1.00 71.22 C ATOM 586 CG ARG A 39 -2.780 -9.297 -18.464 1.00 25.23 C ATOM 587 CD ARG A 39 -2.146 -8.112 -17.747 1.00 12.21 C ATOM 588 NE ARG A 39 -1.798 -8.436 -16.360 1.00 64.14 N ATOM 589 CZ ARG A 39 -2.047 -7.645 -15.313 1.00 40.21 C ATOM 590 NH1 ARG A 39 -2.660 -6.481 -15.482 1.00 72.51 N ATOM 591 NH2 ARG A 39 -1.693 -8.026 -14.098 1.00 72.23 N ATOM 0 H ARG A 39 -5.556 -9.852 -19.775 1.00 13.43 H new ATOM 0 HA ARG A 39 -3.891 -11.830 -18.401 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -4.756 -8.995 -17.705 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -3.739 -9.992 -16.684 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -2.054 -10.105 -18.549 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -3.056 -9.007 -19.478 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -1.250 -7.800 -18.283 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -2.835 -7.268 -17.761 1.00 12.21 H new ATOM 0 HE ARG A 39 -1.334 -9.327 -16.182 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -2.944 -6.185 -16.416 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -2.847 -5.882 -14.678 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -1.230 -8.924 -13.960 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -1.883 -7.422 -13.298 1.00 72.23 H new ATOM 605 N THR A 40 -6.892 -10.825 -17.469 1.00 21.32 N ATOM 606 CA THR A 40 -8.016 -11.067 -16.582 1.00 31.44 C ATOM 607 C THR A 40 -8.765 -12.342 -16.964 1.00 32.23 C ATOM 608 O THR A 40 -9.269 -12.462 -18.087 1.00 70.14 O ATOM 609 CB THR A 40 -8.985 -9.871 -16.617 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.384 -9.611 -17.973 1.00 2.42 O ATOM 611 CG2 THR A 40 -8.336 -8.623 -16.027 1.00 5.33 C ATOM 0 H THR A 40 -7.048 -10.078 -18.145 1.00 21.32 H new ATOM 0 HA THR A 40 -7.621 -11.191 -15.574 1.00 31.44 H new ATOM 0 HB THR A 40 -9.859 -10.121 -16.016 1.00 25.32 H new ATOM 0 HG1 THR A 40 -9.476 -10.459 -18.455 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.042 -7.793 -16.064 1.00 5.33 H new ATOM 0 HG22 THR A 40 -8.055 -8.814 -14.991 1.00 5.33 H new ATOM 0 HG23 THR A 40 -7.447 -8.368 -16.603 1.00 5.33 H new ATOM 619 N LEU A 41 -8.833 -13.287 -16.032 1.00 51.33 N ATOM 620 CA LEU A 41 -9.588 -14.513 -16.237 1.00 34.14 C ATOM 621 C LEU A 41 -11.072 -14.206 -16.402 1.00 43.22 C ATOM 622 O LEU A 41 -11.790 -14.002 -15.417 1.00 22.33 O ATOM 623 CB LEU A 41 -9.392 -15.499 -15.070 1.00 61.14 C ATOM 624 CG LEU A 41 -8.081 -16.302 -15.082 1.00 40.42 C ATOM 625 CD1 LEU A 41 -6.872 -15.380 -14.995 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.070 -17.320 -13.945 1.00 50.44 C ATOM 0 H LEU A 41 -8.372 -13.224 -15.125 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.211 -14.979 -17.148 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.445 -14.941 -14.135 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.226 -16.201 -15.069 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.021 -16.840 -16.028 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -5.959 -15.975 -15.005 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -6.871 -14.700 -15.847 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.919 -14.804 -14.071 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.135 -17.880 -13.967 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.159 -16.801 -12.991 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.908 -18.007 -14.064 1.00 50.44 H new ATOM 638 N THR A 42 -11.515 -14.117 -17.649 1.00 31.45 N ATOM 639 CA THR A 42 -12.937 -14.088 -17.945 1.00 23.21 C ATOM 640 C THR A 42 -13.531 -15.450 -17.602 1.00 63.23 C ATOM 641 O THR A 42 -12.782 -16.414 -17.411 1.00 44.05 O ATOM 642 CB THR A 42 -13.213 -13.743 -19.429 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.622 -13.731 -19.677 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.539 -14.734 -20.371 1.00 34.51 C ATOM 0 H THR A 42 -10.910 -14.064 -18.469 1.00 31.45 H new ATOM 0 HA THR A 42 -13.403 -13.306 -17.345 1.00 23.21 H new ATOM 0 HB THR A 42 -12.796 -12.754 -19.620 1.00 20.41 H new ATOM 0 HG1 THR A 42 -14.787 -13.510 -20.617 1.00 73.40 H new ATOM 0 HG21 THR A 42 -12.755 -14.459 -21.403 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.461 -14.715 -20.209 1.00 34.51 H new ATOM 0 HG23 THR A 42 -12.918 -15.737 -20.175 1.00 34.51 H new ATOM 652 N GLU A 43 -14.855 -15.540 -17.548 1.00 15.15 N ATOM 653 CA GLU A 43 -15.529 -16.765 -17.113 1.00 71.31 C ATOM 654 C GLU A 43 -14.995 -17.980 -17.876 1.00 12.12 C ATOM 655 O GLU A 43 -14.818 -19.056 -17.309 1.00 32.21 O ATOM 656 CB GLU A 43 -17.049 -16.635 -17.305 1.00 43.41 C ATOM 657 CG GLU A 43 -17.861 -17.675 -16.538 1.00 4.44 C ATOM 658 CD GLU A 43 -17.636 -17.594 -15.037 1.00 44.01 C ATOM 659 OE1 GLU A 43 -18.045 -16.583 -14.423 1.00 20.13 O ATOM 660 OE2 GLU A 43 -17.045 -18.529 -14.459 1.00 43.34 O ATOM 0 H GLU A 43 -15.487 -14.780 -17.800 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.322 -16.912 -16.053 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.361 -15.640 -16.989 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.280 -16.719 -18.367 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -18.921 -17.535 -16.752 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -17.594 -18.672 -16.889 1.00 4.44 H new ATOM 667 N GLU A 44 -14.706 -17.779 -19.158 1.00 24.15 N ATOM 668 CA GLU A 44 -14.159 -18.831 -20.013 1.00 42.15 C ATOM 669 C GLU A 44 -12.818 -19.336 -19.453 1.00 51.42 C ATOM 670 O GLU A 44 -12.641 -20.531 -19.174 1.00 31.32 O ATOM 671 CB GLU A 44 -13.977 -18.271 -21.431 1.00 42.11 C ATOM 672 CG GLU A 44 -15.240 -17.616 -21.990 1.00 54.42 C ATOM 673 CD GLU A 44 -14.974 -16.805 -23.251 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.419 -15.690 -23.138 1.00 0.14 O ATOM 675 OE2 GLU A 44 -15.327 -17.263 -24.358 1.00 13.55 O ATOM 0 H GLU A 44 -14.843 -16.887 -19.633 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.847 -19.676 -20.041 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -13.169 -17.539 -21.424 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.670 -19.078 -22.096 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.978 -18.388 -22.209 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.674 -16.966 -21.230 1.00 54.42 H new ATOM 682 N GLN A 45 -11.890 -18.399 -19.258 1.00 31.04 N ATOM 683 CA GLN A 45 -10.561 -18.705 -18.723 1.00 14.15 C ATOM 684 C GLN A 45 -10.687 -19.330 -17.334 1.00 53.01 C ATOM 685 O GLN A 45 -9.909 -20.210 -16.965 1.00 14.13 O ATOM 686 CB GLN A 45 -9.711 -17.422 -18.644 1.00 51.21 C ATOM 687 CG GLN A 45 -9.592 -16.659 -19.965 1.00 30.54 C ATOM 688 CD GLN A 45 -8.476 -17.148 -20.886 1.00 41.25 C ATOM 689 OE1 GLN A 45 -8.125 -18.422 -20.807 1.00 64.40 O flip ATOM 690 NE2 GLN A 45 -7.927 -16.368 -21.666 1.00 1.34 N flip ATOM 0 H GLN A 45 -12.036 -17.411 -19.465 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.070 -19.414 -19.390 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.144 -16.760 -17.894 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.711 -17.684 -18.299 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.541 -16.730 -20.497 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.428 -15.604 -19.746 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -8.221 -15.392 -21.703 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.179 -16.698 -22.275 1.00 1.34 H new ATOM 699 N VAL A 46 -11.681 -18.868 -16.574 1.00 64.44 N ATOM 700 CA VAL A 46 -11.947 -19.398 -15.242 1.00 2.55 C ATOM 701 C VAL A 46 -12.247 -20.890 -15.313 1.00 12.42 C ATOM 702 O VAL A 46 -11.592 -21.696 -14.647 1.00 73.15 O ATOM 703 CB VAL A 46 -13.134 -18.664 -14.560 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.539 -19.355 -13.258 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.783 -17.198 -14.306 1.00 15.10 C ATOM 0 H VAL A 46 -12.316 -18.124 -16.863 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.052 -19.233 -14.643 1.00 2.55 H new ATOM 0 HB VAL A 46 -13.987 -18.704 -15.237 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.372 -18.818 -12.805 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.841 -20.381 -13.469 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.693 -19.360 -12.570 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.626 -16.700 -13.828 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.911 -17.140 -13.655 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.562 -16.707 -15.254 1.00 15.10 H new ATOM 715 N GLN A 47 -13.221 -21.254 -16.145 1.00 74.22 N ATOM 716 CA GLN A 47 -13.635 -22.648 -16.273 1.00 73.34 C ATOM 717 C GLN A 47 -12.490 -23.493 -16.812 1.00 25.01 C ATOM 718 O GLN A 47 -12.330 -24.649 -16.426 1.00 54.32 O ATOM 719 CB GLN A 47 -14.869 -22.774 -17.171 1.00 71.34 C ATOM 720 CG GLN A 47 -15.980 -21.811 -16.783 1.00 23.23 C ATOM 721 CD GLN A 47 -17.362 -22.246 -17.243 1.00 21.44 C ATOM 722 OE1 GLN A 47 -17.662 -23.439 -17.339 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.214 -21.274 -17.529 1.00 3.44 N ATOM 0 H GLN A 47 -13.736 -20.604 -16.739 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.902 -23.016 -15.283 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.580 -22.590 -18.206 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -15.246 -23.796 -17.122 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.988 -21.699 -15.699 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -15.760 -20.830 -17.204 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -17.926 -20.300 -17.436 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -19.158 -21.499 -17.842 1.00 3.44 H new ATOM 732 N GLU A 48 -11.682 -22.896 -17.683 1.00 35.04 N ATOM 733 CA GLU A 48 -10.486 -23.558 -18.196 1.00 64.51 C ATOM 734 C GLU A 48 -9.553 -23.946 -17.039 1.00 55.04 C ATOM 735 O GLU A 48 -9.112 -25.101 -16.935 1.00 73.40 O ATOM 736 CB GLU A 48 -9.769 -22.648 -19.211 1.00 43.20 C ATOM 737 CG GLU A 48 -8.254 -22.712 -19.122 1.00 42.23 C ATOM 738 CD GLU A 48 -7.553 -21.965 -20.242 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.309 -22.572 -21.308 1.00 52.21 O ATOM 740 OE2 GLU A 48 -7.245 -20.772 -20.058 1.00 51.14 O ATOM 0 H GLU A 48 -11.833 -21.956 -18.048 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.779 -24.473 -18.711 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -10.077 -22.928 -20.218 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.091 -21.618 -19.054 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.936 -22.299 -18.165 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.940 -23.756 -19.139 1.00 42.23 H new ATOM 747 N VAL A 49 -9.276 -22.980 -16.161 1.00 34.21 N ATOM 748 CA VAL A 49 -8.452 -23.228 -14.982 1.00 32.22 C ATOM 749 C VAL A 49 -9.064 -24.341 -14.150 1.00 34.13 C ATOM 750 O VAL A 49 -8.360 -25.228 -13.674 1.00 25.13 O ATOM 751 CB VAL A 49 -8.297 -21.956 -14.107 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.473 -22.250 -12.856 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.670 -20.822 -14.912 1.00 71.11 C ATOM 0 H VAL A 49 -9.611 -22.020 -16.246 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.461 -23.521 -15.329 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.291 -21.642 -13.789 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.379 -21.342 -12.260 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -7.969 -23.021 -12.267 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.481 -22.597 -13.147 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.570 -19.939 -14.280 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.686 -21.128 -15.266 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.306 -20.587 -15.766 1.00 71.11 H new ATOM 763 N VAL A 50 -10.382 -24.299 -14.002 1.00 60.22 N ATOM 764 CA VAL A 50 -11.104 -25.320 -13.249 1.00 11.40 C ATOM 765 C VAL A 50 -10.947 -26.688 -13.910 1.00 72.34 C ATOM 766 O VAL A 50 -10.757 -27.698 -13.231 1.00 53.42 O ATOM 767 CB VAL A 50 -12.607 -24.975 -13.129 1.00 41.25 C ATOM 768 CG1 VAL A 50 -13.333 -25.976 -12.244 1.00 15.52 C ATOM 769 CG2 VAL A 50 -12.778 -23.549 -12.626 1.00 15.52 C ATOM 0 H VAL A 50 -10.975 -23.568 -14.394 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.674 -25.351 -12.248 1.00 11.40 H new ATOM 0 HB VAL A 50 -13.060 -25.041 -14.118 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -14.387 -25.707 -12.179 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -13.239 -26.974 -12.671 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -12.894 -25.965 -11.246 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -13.840 -23.317 -12.545 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.309 -23.450 -11.647 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -12.307 -22.858 -13.325 1.00 15.52 H new ATOM 779 N ALA A 51 -11.008 -26.703 -15.238 1.00 31.45 N ATOM 780 CA ALA A 51 -10.878 -27.936 -16.008 1.00 42.34 C ATOM 781 C ALA A 51 -9.506 -28.561 -15.788 1.00 31.41 C ATOM 782 O ALA A 51 -9.376 -29.783 -15.664 1.00 25.24 O ATOM 783 CB ALA A 51 -11.113 -27.666 -17.490 1.00 44.10 C ATOM 0 H ALA A 51 -11.148 -25.868 -15.807 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.635 -28.640 -15.663 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -11.012 -28.596 -18.050 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -12.116 -27.264 -17.632 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.379 -26.945 -17.849 1.00 44.10 H new ATOM 789 N LYS A 52 -8.478 -27.720 -15.741 1.00 53.45 N ATOM 790 CA LYS A 52 -7.127 -28.197 -15.462 1.00 42.14 C ATOM 791 C LYS A 52 -7.012 -28.598 -13.988 1.00 3.33 C ATOM 792 O LYS A 52 -6.407 -29.617 -13.654 1.00 33.40 O ATOM 793 CB LYS A 52 -6.083 -27.125 -15.815 1.00 40.33 C ATOM 794 CG LYS A 52 -4.639 -27.621 -15.736 1.00 30.34 C ATOM 795 CD LYS A 52 -4.356 -28.729 -16.754 1.00 44.14 C ATOM 796 CE LYS A 52 -2.939 -29.279 -16.619 1.00 31.32 C ATOM 797 NZ LYS A 52 -2.631 -30.296 -17.661 1.00 11.24 N ATOM 0 H LYS A 52 -8.552 -26.714 -15.891 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.930 -29.071 -16.083 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -6.277 -26.760 -16.823 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -6.204 -26.277 -15.140 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -3.959 -26.787 -15.910 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -4.438 -27.992 -14.731 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -5.074 -29.538 -16.618 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -4.500 -28.341 -17.762 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -2.224 -28.459 -16.691 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -2.816 -29.724 -15.632 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -1.659 -30.642 -17.531 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -3.296 -31.091 -17.577 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -2.723 -29.866 -18.604 1.00 11.24 H new ATOM 811 N LEU A 53 -7.630 -27.803 -13.113 1.00 5.45 N ATOM 812 CA LEU A 53 -7.615 -28.058 -11.670 1.00 72.44 C ATOM 813 C LEU A 53 -8.278 -29.396 -11.335 1.00 43.14 C ATOM 814 O LEU A 53 -7.905 -30.055 -10.362 1.00 30.51 O ATOM 815 CB LEU A 53 -8.317 -26.918 -10.902 1.00 61.32 C ATOM 816 CG LEU A 53 -7.463 -25.670 -10.601 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.248 -24.685 -9.751 1.00 3.31 C ATOM 818 CD2 LEU A 53 -6.158 -26.058 -9.909 1.00 15.34 C ATOM 0 H LEU A 53 -8.152 -26.969 -13.381 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.571 -28.103 -11.358 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -9.189 -26.605 -11.476 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.684 -27.318 -9.957 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.213 -25.189 -11.547 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.632 -23.809 -9.547 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.148 -24.379 -10.285 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.528 -25.159 -8.810 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.573 -25.161 -9.707 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -6.381 -26.565 -8.970 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.588 -26.725 -10.555 1.00 15.34 H new ATOM 830 N THR A 54 -9.259 -29.798 -12.142 1.00 2.31 N ATOM 831 CA THR A 54 -9.962 -31.057 -11.918 1.00 74.25 C ATOM 832 C THR A 54 -9.111 -32.255 -12.349 1.00 12.24 C ATOM 833 O THR A 54 -9.520 -33.405 -12.182 1.00 11.50 O ATOM 834 CB THR A 54 -11.336 -31.085 -12.640 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.195 -30.682 -14.009 1.00 2.43 O ATOM 836 CG2 THR A 54 -12.342 -30.173 -11.944 1.00 33.32 C ATOM 0 H THR A 54 -9.583 -29.271 -12.953 1.00 2.31 H new ATOM 0 HA THR A 54 -10.144 -31.131 -10.846 1.00 74.25 H new ATOM 0 HB THR A 54 -11.706 -32.109 -12.602 1.00 54.25 H new ATOM 0 HG1 THR A 54 -10.244 -30.620 -14.235 1.00 2.43 H new ATOM 0 HG21 THR A 54 -13.295 -30.213 -12.472 1.00 33.32 H new ATOM 0 HG22 THR A 54 -12.483 -30.505 -10.915 1.00 33.32 H new ATOM 0 HG23 THR A 54 -11.968 -29.149 -11.947 1.00 33.32 H new ATOM 844 N ASP A 55 -7.928 -31.984 -12.905 1.00 13.25 N ATOM 845 CA ASP A 55 -6.954 -33.039 -13.183 1.00 1.54 C ATOM 846 C ASP A 55 -6.039 -33.172 -11.962 1.00 20.51 C ATOM 847 O ASP A 55 -5.144 -32.348 -11.757 1.00 75.23 O ATOM 848 CB ASP A 55 -6.136 -32.720 -14.446 1.00 3.22 C ATOM 849 CG ASP A 55 -5.225 -33.869 -14.874 1.00 40.30 C ATOM 850 OD1 ASP A 55 -4.326 -34.252 -14.092 1.00 74.12 O ATOM 851 OD2 ASP A 55 -5.386 -34.382 -16.004 1.00 52.23 O ATOM 0 H ASP A 55 -7.623 -31.047 -13.170 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.472 -33.980 -13.369 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -6.817 -32.481 -15.262 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -5.531 -31.832 -14.265 1.00 3.22 H new ATOM 856 N PRO A 56 -6.265 -34.206 -11.128 1.00 62.43 N ATOM 857 CA PRO A 56 -5.640 -34.306 -9.800 1.00 43.13 C ATOM 858 C PRO A 56 -4.117 -34.411 -9.848 1.00 2.34 C ATOM 859 O PRO A 56 -3.423 -33.848 -8.995 1.00 53.10 O ATOM 860 CB PRO A 56 -6.258 -35.585 -9.205 1.00 74.10 C ATOM 861 CG PRO A 56 -6.701 -36.378 -10.387 1.00 74.41 C ATOM 862 CD PRO A 56 -7.129 -35.368 -11.416 1.00 55.11 C ATOM 0 HA PRO A 56 -5.825 -33.409 -9.209 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -5.530 -36.136 -8.609 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -7.096 -35.351 -8.549 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -5.892 -37.003 -10.765 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.523 -37.044 -10.126 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -6.980 -35.739 -12.430 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -8.186 -35.118 -11.320 1.00 55.11 H new ATOM 870 N GLU A 57 -3.593 -35.112 -10.847 1.00 53.21 N ATOM 871 CA GLU A 57 -2.167 -35.408 -10.884 1.00 31.20 C ATOM 872 C GLU A 57 -1.381 -34.217 -11.420 1.00 11.32 C ATOM 873 O GLU A 57 -0.352 -33.844 -10.858 1.00 40.10 O ATOM 874 CB GLU A 57 -1.891 -36.661 -11.728 1.00 11.23 C ATOM 875 CG GLU A 57 -0.525 -37.294 -11.461 1.00 74.52 C ATOM 876 CD GLU A 57 -0.363 -37.750 -10.015 1.00 43.42 C ATOM 877 OE1 GLU A 57 -0.828 -38.862 -9.680 1.00 10.41 O ATOM 878 OE2 GLU A 57 0.229 -37.004 -9.205 1.00 15.41 O ATOM 0 H GLU A 57 -4.127 -35.482 -11.633 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.837 -35.604 -9.864 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -2.668 -37.399 -11.531 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -1.960 -36.399 -12.784 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -0.388 -38.148 -12.125 1.00 74.52 H new ATOM 0 HG3 GLU A 57 0.258 -36.575 -11.701 1.00 74.52 H new ATOM 885 N SER A 58 -1.878 -33.609 -12.493 1.00 43.04 N ATOM 886 CA SER A 58 -1.180 -32.495 -13.129 1.00 14.11 C ATOM 887 C SER A 58 -1.037 -31.319 -12.163 1.00 64.34 C ATOM 888 O SER A 58 0.046 -30.738 -12.033 1.00 15.34 O ATOM 889 CB SER A 58 -1.924 -32.047 -14.391 1.00 53.34 C ATOM 890 OG SER A 58 -3.226 -31.582 -14.079 1.00 0.11 O ATOM 0 H SER A 58 -2.758 -33.867 -12.939 1.00 43.04 H new ATOM 0 HA SER A 58 -0.184 -32.837 -13.408 1.00 14.11 H new ATOM 0 HB2 SER A 58 -1.361 -31.256 -14.887 1.00 53.34 H new ATOM 0 HB3 SER A 58 -1.990 -32.879 -15.092 1.00 53.34 H new ATOM 0 HG SER A 58 -3.175 -30.657 -13.759 1.00 0.11 H new ATOM 896 N SER A 59 -2.132 -30.990 -11.480 1.00 11.31 N ATOM 897 CA SER A 59 -2.161 -29.866 -10.548 1.00 64.13 C ATOM 898 C SER A 59 -1.142 -30.058 -9.423 1.00 74.10 C ATOM 899 O SER A 59 -0.308 -29.187 -9.171 1.00 53.43 O ATOM 900 CB SER A 59 -3.579 -29.703 -9.984 1.00 5.10 C ATOM 901 OG SER A 59 -4.117 -30.956 -9.580 1.00 31.55 O ATOM 0 H SER A 59 -3.017 -31.491 -11.556 1.00 11.31 H new ATOM 0 HA SER A 59 -1.887 -28.957 -11.083 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.559 -29.021 -9.134 1.00 5.10 H new ATOM 0 HB3 SER A 59 -4.224 -29.253 -10.739 1.00 5.10 H new ATOM 0 HG SER A 59 -4.558 -31.384 -10.343 1.00 31.55 H new ATOM 907 N ALA A 60 -1.198 -31.213 -8.768 1.00 52.35 N ATOM 908 CA ALA A 60 -0.269 -31.531 -7.688 1.00 44.05 C ATOM 909 C ALA A 60 1.170 -31.579 -8.206 1.00 65.01 C ATOM 910 O ALA A 60 2.111 -31.220 -7.498 1.00 55.43 O ATOM 911 CB ALA A 60 -0.650 -32.861 -7.045 1.00 33.33 C ATOM 0 H ALA A 60 -1.879 -31.946 -8.966 1.00 52.35 H new ATOM 0 HA ALA A 60 -0.331 -30.745 -6.935 1.00 44.05 H new ATOM 0 HB1 ALA A 60 0.049 -33.090 -6.240 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -1.660 -32.793 -6.640 1.00 33.33 H new ATOM 0 HB3 ALA A 60 -0.612 -33.652 -7.794 1.00 33.33 H new ATOM 917 N GLN A 61 1.322 -32.003 -9.458 1.00 51.35 N ATOM 918 CA GLN A 61 2.638 -32.191 -10.065 1.00 31.01 C ATOM 919 C GLN A 61 3.353 -30.854 -10.287 1.00 42.21 C ATOM 920 O GLN A 61 4.577 -30.818 -10.430 1.00 61.11 O ATOM 921 CB GLN A 61 2.496 -32.948 -11.397 1.00 62.35 C ATOM 922 CG GLN A 61 3.821 -33.365 -12.024 1.00 12.53 C ATOM 923 CD GLN A 61 4.652 -34.249 -11.108 1.00 33.44 C ATOM 924 OE1 GLN A 61 4.523 -35.474 -11.121 1.00 35.13 O ATOM 925 NE2 GLN A 61 5.512 -33.634 -10.310 1.00 62.21 N ATOM 0 H GLN A 61 0.542 -32.225 -10.077 1.00 51.35 H new ATOM 0 HA GLN A 61 3.246 -32.779 -9.377 1.00 31.01 H new ATOM 0 HB2 GLN A 61 1.889 -33.838 -11.233 1.00 62.35 H new ATOM 0 HB3 GLN A 61 1.955 -32.319 -12.104 1.00 62.35 H new ATOM 0 HG2 GLN A 61 3.626 -33.896 -12.956 1.00 12.53 H new ATOM 0 HG3 GLN A 61 4.394 -32.473 -12.279 1.00 12.53 H new ATOM 0 HE21 GLN A 61 5.589 -32.617 -10.330 1.00 62.21 H new ATOM 0 HE22 GLN A 61 6.098 -34.177 -9.676 1.00 62.21 H new ATOM 934 N ILE A 62 2.590 -29.760 -10.302 1.00 4.23 N ATOM 935 CA ILE A 62 3.152 -28.432 -10.555 1.00 32.12 C ATOM 936 C ILE A 62 4.247 -28.099 -9.542 1.00 0.54 C ATOM 937 O ILE A 62 5.349 -27.688 -9.914 1.00 12.44 O ATOM 938 CB ILE A 62 2.060 -27.329 -10.514 1.00 60.44 C ATOM 939 CG1 ILE A 62 0.965 -27.612 -11.555 1.00 42.11 C ATOM 940 CG2 ILE A 62 2.671 -25.947 -10.743 1.00 4.10 C ATOM 941 CD1 ILE A 62 1.464 -27.676 -12.984 1.00 43.34 C ATOM 0 H ILE A 62 1.583 -29.767 -10.142 1.00 4.23 H new ATOM 0 HA ILE A 62 3.583 -28.457 -11.556 1.00 32.12 H new ATOM 0 HB ILE A 62 1.606 -27.340 -9.523 1.00 60.44 H new ATOM 0 HG12 ILE A 62 0.482 -28.557 -11.309 1.00 42.11 H new ATOM 0 HG13 ILE A 62 0.203 -26.836 -11.483 1.00 42.11 H new ATOM 0 HG21 ILE A 62 1.886 -25.192 -10.710 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.406 -25.741 -9.965 1.00 4.10 H new ATOM 0 HG23 ILE A 62 3.158 -25.921 -11.718 1.00 4.10 H new ATOM 0 HD11 ILE A 62 0.628 -27.879 -13.653 1.00 43.34 H new ATOM 0 HD12 ILE A 62 1.920 -26.723 -13.253 1.00 43.34 H new ATOM 0 HD13 ILE A 62 2.204 -28.471 -13.076 1.00 43.34 H new ATOM 953 N ASP A 63 3.938 -28.281 -8.263 1.00 4.21 N ATOM 954 CA ASP A 63 4.900 -28.014 -7.190 1.00 24.12 C ATOM 955 C ASP A 63 5.250 -29.298 -6.443 1.00 32.11 C ATOM 956 O ASP A 63 6.062 -29.290 -5.514 1.00 51.03 O ATOM 957 CB ASP A 63 4.342 -26.966 -6.213 1.00 63.41 C ATOM 958 CG ASP A 63 4.270 -25.568 -6.820 1.00 3.22 C ATOM 959 OD1 ASP A 63 3.251 -25.235 -7.460 1.00 51.45 O ATOM 960 OD2 ASP A 63 5.229 -24.783 -6.647 1.00 1.22 O ATOM 0 H ASP A 63 3.029 -28.612 -7.940 1.00 4.21 H new ATOM 0 HA ASP A 63 5.810 -27.620 -7.642 1.00 24.12 H new ATOM 0 HB2 ASP A 63 3.345 -27.269 -5.893 1.00 63.41 H new ATOM 0 HB3 ASP A 63 4.968 -26.938 -5.321 1.00 63.41 H new ATOM 965 N GLY A 64 4.629 -30.403 -6.852 1.00 4.34 N ATOM 966 CA GLY A 64 4.900 -31.696 -6.240 1.00 4.15 C ATOM 967 C GLY A 64 4.086 -31.932 -4.978 1.00 21.32 C ATOM 968 O GLY A 64 4.145 -33.015 -4.387 1.00 74.55 O ATOM 0 H GLY A 64 3.938 -30.426 -7.602 1.00 4.34 H new ATOM 0 HA2 GLY A 64 4.684 -32.486 -6.959 1.00 4.15 H new ATOM 0 HA3 GLY A 64 5.961 -31.764 -6.001 1.00 4.15 H new ATOM 972 N VAL A 65 3.321 -30.919 -4.571 1.00 53.23 N ATOM 973 CA VAL A 65 2.496 -30.985 -3.365 1.00 5.12 C ATOM 974 C VAL A 65 1.149 -30.316 -3.623 1.00 22.24 C ATOM 975 O VAL A 65 1.090 -29.258 -4.252 1.00 34.45 O ATOM 976 CB VAL A 65 3.187 -30.292 -2.156 1.00 20.52 C ATOM 977 CG1 VAL A 65 2.278 -30.296 -0.924 1.00 63.22 C ATOM 978 CG2 VAL A 65 4.524 -30.958 -1.837 1.00 11.54 C ATOM 0 H VAL A 65 3.256 -30.030 -5.068 1.00 53.23 H new ATOM 0 HA VAL A 65 2.354 -32.038 -3.120 1.00 5.12 H new ATOM 0 HB VAL A 65 3.378 -29.255 -2.433 1.00 20.52 H new ATOM 0 HG11 VAL A 65 2.787 -29.805 -0.095 1.00 63.22 H new ATOM 0 HG12 VAL A 65 1.355 -29.762 -1.151 1.00 63.22 H new ATOM 0 HG13 VAL A 65 2.043 -31.324 -0.648 1.00 63.22 H new ATOM 0 HG21 VAL A 65 4.987 -30.455 -0.988 1.00 11.54 H new ATOM 0 HG22 VAL A 65 4.359 -32.007 -1.592 1.00 11.54 H new ATOM 0 HG23 VAL A 65 5.181 -30.888 -2.704 1.00 11.54 H new ATOM 988 N VAL A 66 0.073 -30.937 -3.148 1.00 30.32 N ATOM 989 CA VAL A 66 -1.271 -30.399 -3.331 1.00 1.42 C ATOM 990 C VAL A 66 -1.598 -29.381 -2.234 1.00 32.13 C ATOM 991 O VAL A 66 -1.587 -29.703 -1.043 1.00 51.15 O ATOM 992 CB VAL A 66 -2.344 -31.526 -3.356 1.00 14.41 C ATOM 993 CG1 VAL A 66 -2.309 -32.366 -2.081 1.00 5.23 C ATOM 994 CG2 VAL A 66 -3.735 -30.941 -3.578 1.00 34.45 C ATOM 0 H VAL A 66 0.106 -31.816 -2.632 1.00 30.32 H new ATOM 0 HA VAL A 66 -1.292 -29.897 -4.298 1.00 1.42 H new ATOM 0 HB VAL A 66 -2.108 -32.186 -4.191 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -3.072 -33.142 -2.136 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -1.328 -32.829 -1.977 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -2.502 -31.727 -1.219 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -4.470 -31.746 -3.592 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -3.971 -30.248 -2.771 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -3.759 -30.411 -4.530 1.00 34.45 H new ATOM 1004 N SER A 67 -1.850 -28.143 -2.641 1.00 53.53 N ATOM 1005 CA SER A 67 -2.186 -27.067 -1.712 1.00 63.30 C ATOM 1006 C SER A 67 -3.187 -26.118 -2.370 1.00 25.11 C ATOM 1007 O SER A 67 -3.334 -26.133 -3.587 1.00 45.11 O ATOM 1008 CB SER A 67 -0.913 -26.301 -1.323 1.00 44.10 C ATOM 1009 OG SER A 67 0.130 -27.189 -0.950 1.00 1.41 O ATOM 0 H SER A 67 -1.828 -27.856 -3.619 1.00 53.53 H new ATOM 0 HA SER A 67 -2.633 -27.491 -0.813 1.00 63.30 H new ATOM 0 HB2 SER A 67 -0.587 -25.685 -2.161 1.00 44.10 H new ATOM 0 HB3 SER A 67 -1.131 -25.625 -0.496 1.00 44.10 H new ATOM 0 HG SER A 67 0.928 -26.674 -0.709 1.00 1.41 H new ATOM 1015 N LYS A 68 -3.853 -25.278 -1.573 1.00 41.35 N ATOM 1016 CA LYS A 68 -4.763 -24.255 -2.113 1.00 53.40 C ATOM 1017 C LYS A 68 -4.034 -23.386 -3.142 1.00 61.41 C ATOM 1018 O LYS A 68 -4.648 -22.795 -4.033 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.309 -23.362 -0.986 1.00 10.32 C ATOM 1020 CG LYS A 68 -4.238 -22.510 -0.299 1.00 71.13 C ATOM 1021 CD LYS A 68 -4.819 -21.585 0.768 1.00 22.42 C ATOM 1022 CE LYS A 68 -5.759 -20.538 0.176 1.00 22.41 C ATOM 1023 NZ LYS A 68 -5.076 -19.663 -0.816 1.00 5.02 N ATOM 0 H LYS A 68 -3.782 -25.283 -0.555 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.597 -24.766 -2.595 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.076 -22.704 -1.395 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -5.794 -23.991 -0.239 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -3.496 -23.165 0.158 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -3.718 -21.913 -1.048 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -5.358 -22.179 1.506 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -4.006 -21.085 1.294 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -6.601 -21.038 -0.303 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -6.167 -19.924 0.979 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -5.723 -18.906 -1.115 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -4.229 -19.243 -0.383 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -4.798 -20.228 -1.644 1.00 5.02 H new ATOM 1037 N ASP A 69 -2.712 -23.332 -2.992 1.00 15.13 N ATOM 1038 CA ASP A 69 -1.830 -22.569 -3.871 1.00 73.13 C ATOM 1039 C ASP A 69 -1.989 -22.987 -5.335 1.00 2.11 C ATOM 1040 O ASP A 69 -1.745 -22.188 -6.235 1.00 71.50 O ATOM 1041 CB ASP A 69 -0.376 -22.764 -3.414 1.00 3.14 C ATOM 1042 CG ASP A 69 0.637 -22.108 -4.337 1.00 33.44 C ATOM 1043 OD1 ASP A 69 0.686 -20.862 -4.385 1.00 53.11 O ATOM 1044 OD2 ASP A 69 1.411 -22.836 -4.994 1.00 3.03 O ATOM 0 H ASP A 69 -2.218 -23.823 -2.247 1.00 15.13 H new ATOM 0 HA ASP A 69 -2.102 -21.516 -3.806 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.260 -22.356 -2.410 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -0.162 -23.831 -3.351 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.416 -24.230 -5.561 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.568 -24.769 -6.916 1.00 21.21 C ATOM 1051 C GLU A 70 -3.499 -23.888 -7.755 1.00 20.22 C ATOM 1052 O GLU A 70 -3.194 -23.565 -8.910 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.097 -26.213 -6.873 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.520 -26.340 -6.334 1.00 54.45 C ATOM 1055 CD GLU A 70 -4.954 -27.783 -6.152 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -5.400 -28.407 -7.134 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -4.857 -28.297 -5.020 1.00 33.23 O ATOM 0 H GLU A 70 -2.664 -24.886 -4.821 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.584 -24.774 -7.385 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -3.062 -26.631 -7.879 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -2.431 -26.814 -6.255 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.589 -25.821 -5.378 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.208 -25.842 -7.017 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.616 -23.468 -7.156 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.596 -22.651 -7.861 1.00 21.42 C ATOM 1066 C ILE A 71 -4.949 -21.331 -8.257 1.00 5.33 C ATOM 1067 O ILE A 71 -5.000 -20.910 -9.414 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.855 -22.360 -6.991 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.466 -23.662 -6.432 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.892 -21.594 -7.811 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.599 -23.435 -5.449 1.00 41.44 C ATOM 0 H ILE A 71 -4.860 -23.681 -6.189 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.921 -23.206 -8.741 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.547 -21.748 -6.143 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.833 -24.265 -7.262 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.682 -24.239 -5.941 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.769 -21.395 -7.195 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.464 -20.650 -8.149 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.184 -22.190 -8.676 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -8.976 -24.396 -5.101 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.233 -22.859 -4.599 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.403 -22.886 -5.940 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.306 -20.711 -7.275 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.631 -19.430 -7.451 1.00 53.51 C ATOM 1085 C GLU A 72 -2.487 -19.563 -8.462 1.00 55.15 C ATOM 1086 O GLU A 72 -2.211 -18.642 -9.233 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.107 -18.941 -6.090 1.00 52.51 C ATOM 1088 CG GLU A 72 -4.144 -19.062 -4.971 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.656 -18.534 -3.630 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -3.802 -17.321 -3.368 1.00 52.10 O ATOM 1091 OE2 GLU A 72 -3.127 -19.334 -2.824 1.00 15.35 O ATOM 0 H GLU A 72 -4.238 -21.085 -6.328 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.337 -18.698 -7.842 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.221 -19.516 -5.820 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.797 -17.900 -6.179 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -5.044 -18.519 -5.260 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.426 -20.109 -4.859 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.851 -20.733 -8.463 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.742 -21.025 -9.366 1.00 45.24 C ATOM 1100 C LYS A 73 -1.219 -20.995 -10.813 1.00 24.45 C ATOM 1101 O LYS A 73 -0.645 -20.299 -11.657 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.129 -22.406 -9.033 1.00 73.41 C ATOM 1103 CG LYS A 73 1.330 -22.356 -8.582 1.00 61.01 C ATOM 1104 CD LYS A 73 2.253 -21.835 -9.683 1.00 25.10 C ATOM 1105 CE LYS A 73 3.703 -21.759 -9.216 1.00 44.05 C ATOM 1106 NZ LYS A 73 4.234 -23.089 -8.822 1.00 4.13 N ATOM 0 H LYS A 73 -2.090 -21.503 -7.839 1.00 41.33 H new ATOM 0 HA LYS A 73 0.025 -20.262 -9.235 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.723 -22.874 -8.248 1.00 73.41 H new ATOM 0 HB3 LYS A 73 -0.203 -23.045 -9.913 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.416 -21.716 -7.704 1.00 61.01 H new ATOM 0 HG3 LYS A 73 1.651 -23.354 -8.282 1.00 61.01 H new ATOM 0 HD2 LYS A 73 2.185 -22.487 -10.554 1.00 25.10 H new ATOM 0 HD3 LYS A 73 1.920 -20.846 -9.999 1.00 25.10 H new ATOM 0 HE2 LYS A 73 4.319 -21.345 -10.014 1.00 44.05 H new ATOM 0 HE3 LYS A 73 3.776 -21.075 -8.370 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 5.178 -22.975 -8.401 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.595 -23.526 -8.127 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 4.301 -23.699 -9.662 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.279 -21.750 -11.094 1.00 11.22 N ATOM 1121 CA PHE A 74 -2.831 -21.814 -12.442 1.00 22.20 C ATOM 1122 C PHE A 74 -3.398 -20.463 -12.870 1.00 73.02 C ATOM 1123 O PHE A 74 -3.250 -20.068 -14.022 1.00 45.14 O ATOM 1124 CB PHE A 74 -3.899 -22.908 -12.550 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.321 -24.302 -12.613 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.761 -24.777 -13.792 1.00 44.31 C ATOM 1127 CD2 PHE A 74 -3.329 -25.133 -11.502 1.00 44.33 C ATOM 1128 CE1 PHE A 74 -2.223 -26.048 -13.857 1.00 73.32 C ATOM 1129 CE2 PHE A 74 -2.792 -26.404 -11.564 1.00 1.45 C ATOM 1130 CZ PHE A 74 -2.239 -26.861 -12.743 1.00 62.40 C ATOM 0 H PHE A 74 -2.770 -22.323 -10.408 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.016 -22.068 -13.120 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.569 -22.838 -11.693 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.502 -22.731 -13.441 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.746 -24.146 -14.668 1.00 44.31 H new ATOM 0 HD2 PHE A 74 -3.761 -24.781 -10.577 1.00 44.33 H new ATOM 0 HE1 PHE A 74 -1.790 -26.405 -14.780 1.00 73.32 H new ATOM 0 HE2 PHE A 74 -2.805 -27.039 -10.691 1.00 1.45 H new ATOM 0 HZ PHE A 74 -1.819 -27.855 -12.793 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.030 -19.747 -11.945 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.559 -18.416 -12.249 1.00 31.44 C ATOM 1142 C ILE A 75 -3.434 -17.495 -12.718 1.00 22.43 C ATOM 1143 O ILE A 75 -3.528 -16.870 -13.778 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.283 -17.793 -11.028 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.530 -18.625 -10.683 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.659 -16.333 -11.296 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.239 -18.188 -9.420 1.00 30.54 C ATOM 0 H ILE A 75 -4.189 -20.059 -10.987 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.292 -18.527 -13.048 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.603 -17.805 -10.176 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.231 -18.571 -11.516 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.238 -19.670 -10.579 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.165 -15.922 -10.423 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.756 -15.756 -11.498 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.323 -16.281 -12.159 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.106 -18.826 -9.250 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.557 -18.269 -8.573 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.565 -17.153 -9.525 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.353 -17.445 -11.943 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.193 -16.633 -12.296 1.00 4.04 C ATOM 1161 C ALA A 76 -0.602 -17.096 -13.629 1.00 21.11 C ATOM 1162 O ALA A 76 0.012 -16.313 -14.357 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.143 -16.690 -11.191 1.00 5.44 C ATOM 0 H ALA A 76 -2.257 -17.958 -11.066 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.516 -15.598 -12.406 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.715 -16.079 -11.472 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.571 -16.311 -10.263 1.00 5.44 H new ATOM 0 HB3 ALA A 76 0.178 -17.722 -11.047 1.00 5.44 H new ATOM 1169 N ASP A 77 -0.805 -18.375 -13.942 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.334 -18.956 -15.200 1.00 42.01 C ATOM 1171 C ASP A 77 -1.111 -18.386 -16.386 1.00 61.43 C ATOM 1172 O ASP A 77 -0.585 -18.289 -17.496 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.484 -20.482 -15.167 1.00 63.45 C ATOM 1174 CG ASP A 77 0.105 -21.164 -16.394 1.00 43.21 C ATOM 1175 OD1 ASP A 77 1.339 -21.353 -16.437 1.00 14.33 O ATOM 1176 OD2 ASP A 77 -0.660 -21.516 -17.315 1.00 31.32 O ATOM 0 H ASP A 77 -1.296 -19.033 -13.337 1.00 61.03 H new ATOM 0 HA ASP A 77 0.719 -18.701 -15.319 1.00 42.01 H new ATOM 0 HB2 ASP A 77 0.004 -20.870 -14.273 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.541 -20.736 -15.089 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.353 -17.977 -16.135 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.239 -17.479 -17.191 1.00 54.41 C ATOM 1183 C VAL A 78 -3.016 -15.977 -17.415 1.00 22.23 C ATOM 1184 O VAL A 78 -3.945 -15.221 -17.697 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.726 -17.774 -16.850 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.650 -17.462 -18.030 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -4.890 -19.229 -16.414 1.00 24.11 C ATOM 0 H VAL A 78 -2.772 -17.980 -15.205 1.00 0.21 H new ATOM 0 HA VAL A 78 -2.998 -18.002 -18.116 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.014 -17.121 -16.026 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.681 -17.681 -17.753 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.561 -16.408 -18.293 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.367 -18.075 -18.886 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -5.936 -19.422 -16.178 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.572 -19.889 -17.221 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.279 -19.415 -15.531 1.00 24.11 H new ATOM 1197 N THR A 79 -1.755 -15.557 -17.283 1.00 30.41 N ATOM 1198 CA THR A 79 -1.342 -14.184 -17.570 1.00 54.12 C ATOM 1199 C THR A 79 -2.018 -13.184 -16.620 1.00 71.50 C ATOM 1200 O THR A 79 -1.989 -11.973 -16.841 1.00 33.50 O ATOM 1201 CB THR A 79 -1.680 -13.824 -19.045 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.275 -14.905 -19.906 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.990 -12.537 -19.493 1.00 22.22 C ATOM 0 H THR A 79 -0.993 -16.160 -16.974 1.00 30.41 H new ATOM 0 HA THR A 79 -0.265 -14.119 -17.417 1.00 54.12 H new ATOM 0 HB THR A 79 -2.757 -13.666 -19.110 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.489 -14.680 -20.836 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.254 -12.324 -20.529 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.313 -11.711 -18.859 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.090 -12.656 -19.411 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.572 -13.696 -15.522 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.314 -12.856 -14.586 1.00 2.22 C ATOM 1213 C LYS A 80 -2.366 -11.970 -13.789 1.00 73.41 C ATOM 1214 O LYS A 80 -2.641 -10.783 -13.595 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.171 -13.722 -13.643 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.125 -12.936 -12.732 1.00 21.24 C ATOM 1217 CD LYS A 80 -5.893 -11.847 -13.489 1.00 33.52 C ATOM 1218 CE LYS A 80 -7.137 -11.367 -12.735 1.00 30.34 C ATOM 1219 NZ LYS A 80 -6.842 -10.919 -11.347 1.00 71.14 N ATOM 0 H LYS A 80 -2.521 -14.681 -15.261 1.00 61.35 H new ATOM 0 HA LYS A 80 -3.980 -12.212 -15.160 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.757 -14.418 -14.244 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.507 -14.321 -13.019 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.835 -13.625 -12.273 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.556 -12.479 -11.923 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.232 -10.999 -13.667 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.190 -12.230 -14.465 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -7.594 -10.545 -13.286 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.869 -12.174 -12.702 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.500 -11.379 -10.686 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -5.866 -11.178 -11.099 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.953 -9.887 -11.284 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.247 -12.559 -13.343 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.239 -11.857 -12.531 1.00 70.42 C ATOM 1235 C ASP A 81 -0.749 -11.615 -11.106 1.00 63.31 C ATOM 1236 O ASP A 81 -0.030 -11.836 -10.130 1.00 51.31 O ATOM 1237 CB ASP A 81 0.164 -10.525 -13.189 1.00 15.35 C ATOM 1238 CG ASP A 81 1.205 -9.752 -12.398 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.412 -9.983 -12.613 1.00 53.32 O ATOM 1240 OD2 ASP A 81 0.824 -8.896 -11.571 1.00 21.22 O ATOM 0 H ASP A 81 -1.014 -13.534 -13.534 1.00 15.43 H new ATOM 0 HA ASP A 81 0.643 -12.495 -12.474 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.552 -10.724 -14.188 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.724 -9.905 -13.310 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.998 -11.175 -11.009 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.652 -10.875 -9.743 1.00 23.24 C ATOM 1247 C GLU A 82 -3.779 -11.887 -9.477 1.00 62.30 C ATOM 1248 O GLU A 82 -4.919 -11.682 -9.894 1.00 24.41 O ATOM 1249 CB GLU A 82 -3.194 -9.437 -9.814 1.00 2.34 C ATOM 1250 CG GLU A 82 -4.166 -9.035 -8.695 1.00 51.23 C ATOM 1251 CD GLU A 82 -5.549 -8.644 -9.224 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -5.708 -8.495 -10.461 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -6.483 -8.486 -8.416 1.00 14.04 O ATOM 0 H GLU A 82 -2.593 -11.014 -11.821 1.00 51.11 H new ATOM 0 HA GLU A 82 -1.945 -10.954 -8.917 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -2.349 -8.749 -9.800 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -3.697 -9.305 -10.772 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -4.271 -9.864 -7.995 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -3.745 -8.198 -8.137 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.458 -13.026 -8.834 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.454 -14.026 -8.455 1.00 1.43 C ATOM 1262 C PRO A 83 -5.176 -13.634 -7.165 1.00 63.44 C ATOM 1263 O PRO A 83 -4.733 -13.967 -6.061 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.617 -15.297 -8.271 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.267 -14.811 -7.848 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.097 -13.425 -8.434 1.00 42.23 C ATOM 0 HA PRO A 83 -5.247 -14.143 -9.194 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.055 -15.953 -7.518 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -3.559 -15.869 -9.197 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.189 -14.783 -6.761 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.485 -15.481 -8.206 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.679 -12.733 -7.703 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.419 -13.435 -9.287 1.00 42.23 H new ATOM 1274 N THR A 84 -6.273 -12.905 -7.311 1.00 62.44 N ATOM 1275 CA THR A 84 -6.991 -12.361 -6.167 1.00 64.50 C ATOM 1276 C THR A 84 -8.122 -13.287 -5.725 1.00 62.30 C ATOM 1277 O THR A 84 -8.522 -14.210 -6.452 1.00 22.53 O ATOM 1278 CB THR A 84 -7.557 -10.952 -6.472 1.00 74.30 C ATOM 1279 OG1 THR A 84 -8.189 -10.407 -5.304 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.561 -10.989 -7.620 1.00 32.20 C ATOM 0 H THR A 84 -6.687 -12.676 -8.215 1.00 62.44 H new ATOM 0 HA THR A 84 -6.271 -12.279 -5.353 1.00 64.50 H new ATOM 0 HB THR A 84 -6.720 -10.319 -6.767 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.541 -9.516 -5.508 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.938 -9.983 -7.807 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.073 -11.366 -8.519 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.391 -11.644 -7.356 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.637 -13.015 -4.526 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.719 -13.790 -3.929 1.00 53.25 C ATOM 1290 C ALA A 85 -10.898 -13.907 -4.885 1.00 55.44 C ATOM 1291 O ALA A 85 -11.624 -14.896 -4.858 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.160 -13.154 -2.616 1.00 13.24 C ATOM 0 H ALA A 85 -8.312 -12.246 -3.940 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.348 -14.795 -3.726 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -10.968 -13.742 -2.180 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.318 -13.126 -1.924 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.510 -12.139 -2.803 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.079 -12.890 -5.726 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.119 -12.911 -6.749 1.00 11.51 C ATOM 1300 C GLN A 86 -11.906 -14.091 -7.696 1.00 50.40 C ATOM 1301 O GLN A 86 -12.801 -14.921 -7.893 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.105 -11.601 -7.545 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.160 -11.533 -8.644 1.00 41.24 C ATOM 1304 CD GLN A 86 -13.004 -10.306 -9.525 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -13.558 -9.244 -9.235 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -12.261 -10.446 -10.610 1.00 55.22 N ATOM 0 H GLN A 86 -10.516 -12.039 -5.717 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.086 -13.020 -6.258 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.256 -10.768 -6.858 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.120 -11.470 -7.992 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -13.096 -12.430 -9.261 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.152 -11.528 -8.191 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -11.820 -11.343 -10.814 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -12.129 -9.657 -11.243 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.701 -14.162 -8.260 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.351 -15.213 -9.211 1.00 32.24 C ATOM 1317 C ASP A 87 -10.491 -16.574 -8.544 1.00 42.21 C ATOM 1318 O ASP A 87 -11.175 -17.466 -9.059 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.915 -15.035 -9.734 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.669 -13.679 -10.376 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.420 -13.306 -11.304 1.00 21.13 O ATOM 1322 OD2 ASP A 87 -7.723 -12.979 -9.952 1.00 14.52 O ATOM 0 H ASP A 87 -9.948 -13.500 -8.073 1.00 24.32 H new ATOM 0 HA ASP A 87 -11.032 -15.147 -10.060 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.216 -15.170 -8.908 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.702 -15.817 -10.462 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.854 -16.717 -7.379 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.924 -17.963 -6.614 1.00 12.41 C ATOM 1329 C ILE A 88 -11.377 -18.328 -6.311 1.00 62.53 C ATOM 1330 O ILE A 88 -11.763 -19.484 -6.438 1.00 0.14 O ATOM 1331 CB ILE A 88 -9.108 -17.893 -5.287 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.594 -17.994 -5.566 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.540 -18.989 -4.311 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.998 -16.780 -6.244 1.00 42.04 C ATOM 0 H ILE A 88 -9.286 -15.988 -6.947 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.476 -18.739 -7.235 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.313 -16.927 -4.827 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -7.074 -18.159 -4.622 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.410 -18.869 -6.189 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.953 -18.913 -3.396 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.597 -18.870 -4.075 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.378 -19.966 -4.766 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.931 -16.938 -6.401 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.487 -16.623 -7.205 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -7.146 -15.902 -5.615 1.00 42.04 H new ATOM 1346 N SER A 89 -12.178 -17.331 -5.938 1.00 54.03 N ATOM 1347 CA SER A 89 -13.577 -17.554 -5.577 1.00 31.54 C ATOM 1348 C SER A 89 -14.348 -18.157 -6.751 1.00 63.41 C ATOM 1349 O SER A 89 -15.021 -19.174 -6.600 1.00 50.42 O ATOM 1350 CB SER A 89 -14.236 -16.242 -5.123 1.00 55.52 C ATOM 1351 OG SER A 89 -15.566 -16.453 -4.674 1.00 41.44 O ATOM 0 H SER A 89 -11.880 -16.357 -5.878 1.00 54.03 H new ATOM 0 HA SER A 89 -13.604 -18.260 -4.747 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.647 -15.797 -4.321 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.239 -15.531 -5.949 1.00 55.52 H new ATOM 0 HG SER A 89 -15.955 -15.599 -4.391 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.228 -17.535 -7.926 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.932 -18.014 -9.113 1.00 54.03 C ATOM 1359 C ARG A 90 -14.483 -19.433 -9.465 1.00 24.50 C ATOM 1360 O ARG A 90 -15.300 -20.364 -9.528 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.679 -17.068 -10.300 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.100 -15.625 -10.029 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.728 -14.697 -11.181 1.00 62.12 C ATOM 1364 NE ARG A 90 -15.527 -14.941 -12.389 1.00 24.24 N ATOM 1365 CZ ARG A 90 -15.434 -14.209 -13.505 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -14.523 -13.245 -13.596 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -16.240 -14.456 -14.533 1.00 40.20 N ATOM 0 H ARG A 90 -13.654 -16.705 -8.079 1.00 23.34 H new ATOM 0 HA ARG A 90 -16.000 -18.031 -8.898 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.618 -17.088 -10.551 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -15.219 -17.438 -11.171 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -16.177 -15.586 -9.865 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.625 -15.274 -9.113 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.861 -13.662 -10.866 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -13.672 -14.824 -11.418 1.00 62.12 H new ATOM 0 HE ARG A 90 -16.192 -15.714 -12.376 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -13.894 -13.063 -12.814 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -14.453 -12.688 -14.448 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -16.930 -15.204 -14.471 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -16.168 -13.897 -15.383 1.00 40.20 H new ATOM 1381 N VAL A 91 -13.174 -19.601 -9.640 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.604 -20.893 -10.007 1.00 73.33 C ATOM 1383 C VAL A 91 -13.031 -21.970 -9.005 1.00 11.43 C ATOM 1384 O VAL A 91 -13.575 -23.018 -9.389 1.00 41.13 O ATOM 1385 CB VAL A 91 -11.056 -20.833 -10.077 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.479 -22.195 -10.455 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.601 -19.759 -11.065 1.00 44.15 C ATOM 0 H VAL A 91 -12.487 -18.855 -9.533 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.982 -21.147 -10.997 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.680 -20.567 -9.089 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.392 -22.130 -10.498 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.769 -22.933 -9.707 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.864 -22.495 -11.430 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.512 -19.734 -11.099 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.990 -19.989 -12.057 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.977 -18.787 -10.745 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.812 -21.681 -7.721 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.151 -22.608 -6.644 1.00 51.41 C ATOM 1399 C ALA A 92 -14.642 -22.912 -6.643 1.00 45.24 C ATOM 1400 O ALA A 92 -15.051 -24.042 -6.388 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.713 -22.058 -5.289 1.00 45.23 C ATOM 0 H ALA A 92 -12.398 -20.805 -7.402 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.612 -23.539 -6.821 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -12.978 -22.768 -4.505 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.634 -21.904 -5.290 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.214 -21.108 -5.102 1.00 45.23 H new ATOM 1407 N SER A 93 -15.443 -21.899 -6.950 1.00 15.05 N ATOM 1408 CA SER A 93 -16.888 -22.058 -7.051 1.00 62.23 C ATOM 1409 C SER A 93 -17.223 -23.088 -8.128 1.00 73.41 C ATOM 1410 O SER A 93 -18.086 -23.950 -7.937 1.00 13.21 O ATOM 1411 CB SER A 93 -17.548 -20.708 -7.373 1.00 70.15 C ATOM 1412 OG SER A 93 -18.940 -20.844 -7.601 1.00 11.51 O ATOM 0 H SER A 93 -15.113 -20.952 -7.135 1.00 15.05 H new ATOM 0 HA SER A 93 -17.275 -22.412 -6.096 1.00 62.23 H new ATOM 0 HB2 SER A 93 -17.381 -20.016 -6.548 1.00 70.15 H new ATOM 0 HB3 SER A 93 -17.076 -20.274 -8.254 1.00 70.15 H new ATOM 0 HG SER A 93 -19.326 -19.966 -7.801 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.519 -23.008 -9.257 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.790 -23.911 -10.376 1.00 3.43 C ATOM 1420 C ARG A 94 -16.382 -25.344 -10.050 1.00 32.51 C ATOM 1421 O ARG A 94 -17.196 -26.259 -10.162 1.00 40.31 O ATOM 1422 CB ARG A 94 -16.031 -23.452 -11.617 1.00 52.53 C ATOM 1423 CG ARG A 94 -16.145 -21.966 -11.882 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.599 -21.494 -11.835 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.745 -20.089 -12.219 1.00 3.54 N ATOM 1426 CZ ARG A 94 -18.561 -19.222 -11.616 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.235 -19.569 -10.520 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -18.683 -17.996 -12.102 1.00 21.02 N ATOM 0 H ARG A 94 -15.768 -22.338 -9.421 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.864 -23.887 -10.562 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.979 -23.713 -11.506 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -16.405 -23.997 -12.484 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.560 -21.418 -11.143 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.719 -21.737 -12.859 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -18.200 -22.114 -12.500 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.991 -21.635 -10.828 1.00 13.22 H new ATOM 0 HE ARG A 94 -17.185 -19.749 -13.001 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -19.130 -20.507 -10.132 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -19.855 -18.897 -10.069 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -18.156 -17.721 -12.931 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -19.304 -17.327 -11.648 1.00 21.02 H new ATOM 1442 N LEU A 95 -15.123 -25.543 -9.651 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.682 -26.887 -9.215 1.00 15.52 C ATOM 1444 C LEU A 95 -15.519 -27.413 -8.044 1.00 70.41 C ATOM 1445 O LEU A 95 -15.704 -28.628 -7.908 1.00 61.13 O ATOM 1446 CB LEU A 95 -13.175 -26.941 -8.877 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.620 -25.804 -7.994 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.154 -26.324 -6.633 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.476 -25.089 -8.705 1.00 73.21 C ATOM 0 H LEU A 95 -14.404 -24.820 -9.618 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.845 -27.544 -10.069 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.972 -27.889 -8.378 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.617 -26.948 -9.813 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.430 -25.096 -7.821 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.770 -25.495 -6.039 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -12.994 -26.785 -6.113 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.366 -27.064 -6.776 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -11.095 -24.290 -8.069 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.676 -25.800 -8.913 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.838 -24.666 -9.642 1.00 73.21 H new ATOM 1461 N ALA A 96 -16.034 -26.513 -7.211 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.936 -26.906 -6.132 1.00 52.43 C ATOM 1463 C ALA A 96 -18.239 -27.454 -6.710 1.00 51.03 C ATOM 1464 O ALA A 96 -18.762 -28.466 -6.244 1.00 52.32 O ATOM 1465 CB ALA A 96 -17.216 -25.731 -5.202 1.00 5.15 C ATOM 0 H ALA A 96 -15.844 -25.512 -7.261 1.00 40.45 H new ATOM 0 HA ALA A 96 -16.454 -27.690 -5.548 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.890 -26.049 -4.407 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.280 -25.381 -4.766 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.678 -24.922 -5.767 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.747 -26.773 -7.734 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.948 -27.213 -8.442 1.00 4.04 C ATOM 1473 C ALA A 97 -19.662 -28.472 -9.257 1.00 60.22 C ATOM 1474 O ALA A 97 -20.562 -29.265 -9.533 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.466 -26.096 -9.341 1.00 52.53 C ATOM 0 H ALA A 97 -18.343 -25.909 -8.094 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.717 -27.453 -7.708 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -21.361 -26.435 -9.863 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.709 -25.224 -8.734 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.700 -25.830 -10.069 1.00 52.53 H new ATOM 1481 N GLY A 98 -18.399 -28.648 -9.633 1.00 10.24 N ATOM 1482 CA GLY A 98 -17.988 -29.840 -10.354 1.00 71.13 C ATOM 1483 C GLY A 98 -18.115 -31.077 -9.491 1.00 75.14 C ATOM 1484 O GLY A 98 -18.491 -32.148 -9.971 1.00 24.30 O ATOM 0 H GLY A 98 -17.648 -27.982 -9.450 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -18.599 -29.955 -11.249 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -16.955 -29.729 -10.685 1.00 71.13 H new ATOM 1488 N GLY A 99 -17.809 -30.917 -8.207 1.00 44.44 N ATOM 1489 CA GLY A 99 -18.019 -31.977 -7.236 1.00 11.31 C ATOM 1490 C GLY A 99 -19.320 -31.766 -6.491 1.00 2.41 C ATOM 1491 O GLY A 99 -19.395 -31.986 -5.281 1.00 24.34 O ATOM 0 H GLY A 99 -17.414 -30.061 -7.818 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -18.035 -32.943 -7.741 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -17.189 -32.001 -6.530 1.00 11.31 H new ATOM 1495 N TRP A 100 -20.333 -31.335 -7.246 1.00 33.12 N ATOM 1496 CA TRP A 100 -21.645 -30.935 -6.726 1.00 54.53 C ATOM 1497 C TRP A 100 -22.165 -31.843 -5.602 1.00 63.43 C ATOM 1498 O TRP A 100 -22.561 -32.987 -5.840 1.00 14.14 O ATOM 1499 CB TRP A 100 -22.666 -30.873 -7.883 1.00 53.11 C ATOM 1500 CG TRP A 100 -22.599 -32.042 -8.831 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -21.715 -32.210 -9.860 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -23.459 -33.192 -8.853 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -21.964 -33.390 -10.512 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -23.031 -34.011 -9.915 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -24.549 -33.606 -8.080 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -23.648 -35.223 -10.217 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -25.160 -34.808 -8.381 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -24.710 -35.602 -9.444 1.00 25.43 C ATOM 0 H TRP A 100 -20.263 -31.252 -8.260 1.00 33.12 H new ATOM 0 HA TRP A 100 -21.519 -29.948 -6.281 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -23.670 -30.817 -7.463 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -22.504 -29.954 -8.446 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -20.933 -31.513 -10.122 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -21.441 -33.748 -11.311 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -24.906 -32.997 -7.263 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -23.300 -35.841 -11.032 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -25.998 -35.141 -7.787 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -25.213 -36.534 -9.657 1.00 25.43 H new ATOM 1519 N PRO A 101 -22.121 -31.347 -4.347 1.00 54.45 N ATOM 1520 CA PRO A 101 -22.776 -31.979 -3.211 1.00 61.44 C ATOM 1521 C PRO A 101 -24.092 -31.278 -2.848 1.00 74.42 C ATOM 1522 O PRO A 101 -24.822 -31.718 -1.958 1.00 34.13 O ATOM 1523 CB PRO A 101 -21.731 -31.773 -2.115 1.00 45.13 C ATOM 1524 CG PRO A 101 -21.103 -30.441 -2.432 1.00 52.13 C ATOM 1525 CD PRO A 101 -21.359 -30.163 -3.905 1.00 25.12 C ATOM 0 HA PRO A 101 -23.056 -33.018 -3.386 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -22.190 -31.769 -1.126 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -20.989 -32.572 -2.120 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -21.534 -29.655 -1.812 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -20.033 -30.461 -2.224 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -21.926 -29.243 -4.048 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -20.428 -30.053 -4.461 1.00 25.12 H new ATOM 1533 N LEU A 102 -24.379 -30.184 -3.554 1.00 10.31 N ATOM 1534 CA LEU A 102 -25.531 -29.334 -3.262 1.00 74.21 C ATOM 1535 C LEU A 102 -26.228 -28.920 -4.558 1.00 33.31 C ATOM 1536 O LEU A 102 -25.566 -28.657 -5.566 1.00 3.42 O ATOM 1537 CB LEU A 102 -25.068 -28.082 -2.495 1.00 54.21 C ATOM 1538 CG LEU A 102 -26.169 -27.052 -2.163 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -27.197 -27.637 -1.198 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -25.557 -25.773 -1.592 1.00 12.44 C ATOM 0 H LEU A 102 -23.819 -29.863 -4.344 1.00 10.31 H new ATOM 0 HA LEU A 102 -26.237 -29.894 -2.649 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -24.603 -28.402 -1.563 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -24.296 -27.584 -3.082 1.00 54.21 H new ATOM 0 HG LEU A 102 -26.685 -26.802 -3.090 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -27.960 -26.889 -0.982 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -27.664 -28.512 -1.650 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -26.702 -27.928 -0.272 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -26.350 -25.060 -1.365 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -25.008 -26.008 -0.680 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -24.876 -25.337 -2.323 1.00 12.44 H new ATOM 1552 N ALA A 103 -27.556 -28.860 -4.527 1.00 35.13 N ATOM 1553 CA ALA A 103 -28.334 -28.401 -5.673 1.00 1.22 C ATOM 1554 C ALA A 103 -28.258 -26.880 -5.786 1.00 44.52 C ATOM 1555 O ALA A 103 -29.191 -26.165 -5.413 1.00 71.31 O ATOM 1556 CB ALA A 103 -29.781 -28.874 -5.560 1.00 34.24 C ATOM 0 H ALA A 103 -28.117 -29.125 -3.718 1.00 35.13 H new ATOM 0 HA ALA A 103 -27.912 -28.831 -6.581 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -30.347 -28.523 -6.423 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -29.806 -29.963 -5.528 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -30.224 -28.474 -4.648 1.00 34.24 H new ATOM 1562 N GLY A 104 -27.119 -26.391 -6.265 1.00 1.03 N ATOM 1563 CA GLY A 104 -26.920 -24.961 -6.413 1.00 34.40 C ATOM 1564 C GLY A 104 -26.195 -24.611 -7.696 1.00 2.44 C ATOM 1565 O GLY A 104 -25.663 -23.510 -7.834 1.00 60.53 O ATOM 0 H GLY A 104 -26.326 -26.963 -6.555 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -27.887 -24.458 -6.396 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -26.351 -24.586 -5.563 1.00 34.40 H new ATOM 1569 N VAL A 105 -26.169 -25.553 -8.634 1.00 75.25 N ATOM 1570 CA VAL A 105 -25.522 -25.366 -9.903 1.00 23.35 C ATOM 1571 C VAL A 105 -26.429 -24.596 -10.865 1.00 14.03 C ATOM 1572 O VAL A 105 -27.632 -24.874 -10.958 1.00 43.04 O ATOM 1573 CB VAL A 105 -25.150 -26.740 -10.497 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -24.104 -27.442 -9.631 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -26.384 -27.626 -10.670 1.00 71.45 C ATOM 0 H VAL A 105 -26.603 -26.469 -8.522 1.00 75.25 H new ATOM 0 HA VAL A 105 -24.615 -24.780 -9.755 1.00 23.35 H new ATOM 0 HB VAL A 105 -24.721 -26.566 -11.484 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -23.858 -28.409 -10.070 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -23.205 -26.828 -9.577 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -24.503 -27.590 -8.627 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -26.086 -28.586 -11.091 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -26.856 -27.785 -9.701 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -27.090 -27.139 -11.342 1.00 71.45 H new ATOM 1585 N ASP A 106 -25.856 -23.616 -11.556 1.00 34.34 N ATOM 1586 CA ASP A 106 -26.601 -22.814 -12.523 1.00 34.40 C ATOM 1587 C ASP A 106 -25.859 -22.795 -13.855 1.00 44.13 C ATOM 1588 O ASP A 106 -24.720 -22.326 -13.931 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.789 -21.379 -12.002 1.00 3.44 C ATOM 1590 CG ASP A 106 -27.812 -20.583 -12.807 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -27.632 -20.423 -14.028 1.00 25.55 O ATOM 1592 OD2 ASP A 106 -28.815 -20.121 -12.216 1.00 61.24 O ATOM 0 H ASP A 106 -24.874 -23.356 -11.464 1.00 34.34 H new ATOM 0 HA ASP A 106 -27.585 -23.260 -12.666 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -27.104 -21.415 -10.959 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -25.831 -20.860 -12.028 1.00 3.44 H new ATOM 1597 N SER A 107 -26.498 -23.316 -14.897 1.00 25.45 N ATOM 1598 CA SER A 107 -25.885 -23.393 -16.217 1.00 20.22 C ATOM 1599 C SER A 107 -26.138 -22.115 -17.021 1.00 62.13 C ATOM 1600 O SER A 107 -25.251 -21.624 -17.723 1.00 71.25 O ATOM 1601 CB SER A 107 -26.425 -24.618 -16.966 1.00 31.03 C ATOM 1602 OG SER A 107 -27.845 -24.660 -16.923 1.00 63.21 O ATOM 0 H SER A 107 -27.445 -23.693 -14.852 1.00 25.45 H new ATOM 0 HA SER A 107 -24.807 -23.495 -16.093 1.00 20.22 H new ATOM 0 HB2 SER A 107 -26.090 -24.591 -18.003 1.00 31.03 H new ATOM 0 HB3 SER A 107 -26.018 -25.527 -16.524 1.00 31.03 H new ATOM 0 HG SER A 107 -28.164 -25.449 -17.409 1.00 63.21 H new ATOM 1608 N THR A 108 -27.341 -21.563 -16.890 1.00 52.43 N ATOM 1609 CA THR A 108 -27.734 -20.375 -17.642 1.00 65.30 C ATOM 1610 C THR A 108 -26.882 -19.158 -17.266 1.00 75.14 C ATOM 1611 O THR A 108 -26.742 -18.217 -18.049 1.00 15.14 O ATOM 1612 CB THR A 108 -29.234 -20.064 -17.424 1.00 33.03 C ATOM 1613 OG1 THR A 108 -29.567 -20.202 -16.036 1.00 25.35 O ATOM 1614 CG2 THR A 108 -30.117 -20.994 -18.251 1.00 32.14 C ATOM 0 H THR A 108 -28.064 -21.922 -16.267 1.00 52.43 H new ATOM 0 HA THR A 108 -27.565 -20.587 -18.698 1.00 65.30 H new ATOM 0 HB THR A 108 -29.413 -19.038 -17.746 1.00 33.03 H new ATOM 0 HG1 THR A 108 -28.750 -20.152 -15.497 1.00 25.35 H new ATOM 0 HG21 THR A 108 -31.165 -20.751 -18.077 1.00 32.14 H new ATOM 0 HG22 THR A 108 -29.887 -20.869 -19.309 1.00 32.14 H new ATOM 0 HG23 THR A 108 -29.931 -22.028 -17.959 1.00 32.14 H new ATOM 1622 N ALA A 109 -26.293 -19.195 -16.073 1.00 54.00 N ATOM 1623 CA ALA A 109 -25.449 -18.107 -15.586 1.00 24.21 C ATOM 1624 C ALA A 109 -24.005 -18.578 -15.459 1.00 11.04 C ATOM 1625 O ALA A 109 -23.198 -17.972 -14.753 1.00 23.33 O ATOM 1626 CB ALA A 109 -25.967 -17.596 -14.246 1.00 14.02 C ATOM 0 H ALA A 109 -26.386 -19.974 -15.421 1.00 54.00 H new ATOM 0 HA ALA A 109 -25.483 -17.287 -16.303 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -25.329 -16.785 -13.894 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -26.986 -17.229 -14.366 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -25.957 -18.408 -13.518 1.00 14.02 H new ATOM 1632 N LEU A 110 -23.674 -19.641 -16.188 1.00 1.22 N ATOM 1633 CA LEU A 110 -22.336 -20.224 -16.153 1.00 62.21 C ATOM 1634 C LEU A 110 -21.519 -19.625 -17.293 1.00 32.34 C ATOM 1635 O LEU A 110 -20.656 -20.270 -17.886 1.00 74.23 O ATOM 1636 CB LEU A 110 -22.428 -21.755 -16.279 1.00 35.40 C ATOM 1637 CG LEU A 110 -21.144 -22.531 -15.942 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -20.713 -22.269 -14.500 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -21.342 -24.025 -16.185 1.00 71.20 C ATOM 0 H LEU A 110 -24.321 -20.119 -16.815 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.847 -19.999 -15.205 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -23.226 -22.107 -15.625 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -22.721 -22.000 -17.300 1.00 35.40 H new ATOM 0 HG LEU A 110 -20.350 -22.179 -16.600 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -19.803 -22.829 -14.285 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -20.525 -21.204 -14.364 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -21.504 -22.587 -13.820 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -20.423 -24.558 -15.941 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -22.152 -24.392 -15.555 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -21.592 -24.193 -17.232 1.00 71.20 H new ATOM 1651 N ASN A 111 -21.807 -18.360 -17.569 1.00 2.03 N ATOM 1652 CA ASN A 111 -21.239 -17.652 -18.702 1.00 51.20 C ATOM 1653 C ASN A 111 -21.480 -16.151 -18.533 1.00 3.43 C ATOM 1654 O ASN A 111 -22.446 -15.589 -19.056 1.00 20.31 O ATOM 1655 CB ASN A 111 -21.824 -18.176 -20.035 1.00 51.14 C ATOM 1656 CG ASN A 111 -23.347 -18.072 -20.157 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -24.068 -18.289 -19.067 1.00 64.14 O flip ATOM 1658 ND2 ASN A 111 -23.872 -17.834 -21.244 1.00 71.21 N flip ATOM 0 H ASN A 111 -22.445 -17.796 -17.008 1.00 2.03 H new ATOM 0 HA ASN A 111 -20.164 -17.832 -18.736 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -21.370 -17.622 -20.857 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -21.535 -19.220 -20.156 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -23.291 -17.671 -22.066 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -24.888 -17.800 -21.323 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.617 -15.523 -17.746 1.00 65.35 N ATOM 1666 CA ALA A 112 -20.735 -14.106 -17.429 1.00 3.51 C ATOM 1667 C ALA A 112 -19.760 -13.298 -18.280 1.00 55.23 C ATOM 1668 O ALA A 112 -20.213 -12.566 -19.183 1.00 20.44 O ATOM 1669 CB ALA A 112 -20.482 -13.877 -15.942 1.00 24.13 C ATOM 1670 OXT ALA A 112 -18.538 -13.432 -18.064 1.00 0.00 O ATOM 0 H ALA A 112 -19.816 -15.981 -17.310 1.00 65.35 H new ATOM 0 HA ALA A 112 -21.747 -13.771 -17.657 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -20.573 -12.814 -15.717 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -21.214 -14.435 -15.358 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -19.478 -14.217 -15.687 1.00 24.13 H new TER 1676 ALA A 112