USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -0.154 K(o=-0.4,f=-9.6!) USER MOD Set 1.2: A 27 SER OG : rot 72:sc= -0.245 USER MOD Single : A 1 MET CE :methyl -113:sc= -1.1 (180deg=-1.6) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0844) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 5 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.4!) USER MOD Single : A 8 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.9!) USER MOD Single : A 15 HIS : no HD1:sc=-0.00193 K(o=-0.0019,f=-6.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -125:sc= 1.33 (180deg=-0.461) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 1.15 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.67) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0724 F(o=-1.4!,f=-0.072) USER MOD Single : A 49 THR OG1 : rot 73:sc= 1.18 USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= -0.0524! (180deg=-0.295!) USER MOD Single : A 54 LYS NZ :NH3+ -106:sc= 0.607 (180deg=-0.968!) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0.0334 (180deg=0.0318) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -2.13 F(o=-4.7!,f=-2.1) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.216 F(o=-2!,f=-0.22) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 1.08 K(o=1.1,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.697 -5.096 -15.170 1.00 52.22 N ATOM 2 CA MET A 1 -7.259 -4.806 -13.788 1.00 62.14 C ATOM 3 C MET A 1 -8.331 -5.210 -12.790 1.00 34.15 C ATOM 4 O MET A 1 -9.392 -4.585 -12.708 1.00 22.34 O ATOM 5 CB MET A 1 -6.944 -3.316 -13.618 1.00 65.24 C ATOM 6 CG MET A 1 -5.699 -2.861 -14.360 1.00 62.30 C ATOM 7 SD MET A 1 -5.456 -1.074 -14.295 1.00 45.25 S ATOM 8 CE MET A 1 -5.352 -0.795 -12.529 1.00 21.51 C ATOM 0 H1 MET A 1 -6.895 -4.974 -15.821 1.00 52.22 H new ATOM 0 H2 MET A 1 -8.043 -6.075 -15.226 1.00 52.22 H new ATOM 0 H3 MET A 1 -8.462 -4.443 -15.436 1.00 52.22 H new ATOM 0 HA MET A 1 -6.355 -5.385 -13.599 1.00 62.14 H new ATOM 0 HB2 MET A 1 -7.796 -2.733 -13.967 1.00 65.24 H new ATOM 0 HB3 MET A 1 -6.822 -3.099 -12.557 1.00 65.24 H new ATOM 0 HG2 MET A 1 -4.827 -3.357 -13.934 1.00 62.30 H new ATOM 0 HG3 MET A 1 -5.768 -3.176 -15.401 1.00 62.30 H new ATOM 0 HE1 MET A 1 -6.217 -0.219 -12.200 1.00 21.51 H new ATOM 0 HE2 MET A 1 -5.335 -1.753 -12.010 1.00 21.51 H new ATOM 0 HE3 MET A 1 -4.441 -0.242 -12.301 1.00 21.51 H new ATOM 20 N ASN A 2 -8.061 -6.276 -12.056 1.00 74.42 N ATOM 21 CA ASN A 2 -8.935 -6.714 -10.978 1.00 64.23 C ATOM 22 C ASN A 2 -8.260 -6.425 -9.652 1.00 14.12 C ATOM 23 O ASN A 2 -7.074 -6.709 -9.485 1.00 74.13 O ATOM 24 CB ASN A 2 -9.268 -8.206 -11.101 1.00 23.50 C ATOM 25 CG ASN A 2 -10.290 -8.490 -12.187 1.00 24.33 C ATOM 26 OD1 ASN A 2 -10.394 -7.756 -13.170 1.00 53.22 O ATOM 27 ND2 ASN A 2 -11.049 -9.560 -12.020 1.00 62.50 N ATOM 0 H ASN A 2 -7.235 -6.860 -12.188 1.00 74.42 H new ATOM 0 HA ASN A 2 -9.876 -6.168 -11.039 1.00 64.23 H new ATOM 0 HB2 ASN A 2 -8.355 -8.762 -11.313 1.00 23.50 H new ATOM 0 HB3 ASN A 2 -9.648 -8.569 -10.146 1.00 23.50 H new ATOM 0 HD21 ASN A 2 -11.751 -9.802 -12.720 1.00 62.50 H new ATOM 0 HD22 ASN A 2 -10.933 -10.144 -11.192 1.00 62.50 H new ATOM 34 N VAL A 3 -9.020 -5.858 -8.721 1.00 24.30 N ATOM 35 CA VAL A 3 -8.475 -5.354 -7.462 1.00 54.13 C ATOM 36 C VAL A 3 -7.625 -6.400 -6.737 1.00 25.22 C ATOM 37 O VAL A 3 -6.600 -6.069 -6.149 1.00 32.25 O ATOM 38 CB VAL A 3 -9.603 -4.843 -6.529 1.00 12.31 C ATOM 39 CG1 VAL A 3 -10.540 -5.971 -6.118 1.00 1.01 C ATOM 40 CG2 VAL A 3 -9.023 -4.146 -5.307 1.00 61.20 C ATOM 0 H VAL A 3 -10.028 -5.734 -8.816 1.00 24.30 H new ATOM 0 HA VAL A 3 -7.823 -4.519 -7.718 1.00 54.13 H new ATOM 0 HB VAL A 3 -10.190 -4.115 -7.089 1.00 12.31 H new ATOM 0 HG11 VAL A 3 -11.319 -5.577 -5.464 1.00 1.01 H new ATOM 0 HG12 VAL A 3 -10.998 -6.406 -7.007 1.00 1.01 H new ATOM 0 HG13 VAL A 3 -9.975 -6.738 -5.588 1.00 1.01 H new ATOM 0 HG21 VAL A 3 -9.834 -3.797 -4.668 1.00 61.20 H new ATOM 0 HG22 VAL A 3 -8.399 -4.846 -4.751 1.00 61.20 H new ATOM 0 HG23 VAL A 3 -8.420 -3.296 -5.625 1.00 61.20 H new ATOM 50 N ASP A 4 -8.033 -7.661 -6.818 1.00 45.21 N ATOM 51 CA ASP A 4 -7.326 -8.749 -6.146 1.00 30.24 C ATOM 52 C ASP A 4 -5.888 -8.890 -6.646 1.00 40.34 C ATOM 53 O ASP A 4 -4.969 -9.134 -5.865 1.00 64.11 O ATOM 54 CB ASP A 4 -8.080 -10.073 -6.320 1.00 12.25 C ATOM 55 CG ASP A 4 -8.625 -10.273 -7.723 1.00 35.22 C ATOM 56 OD1 ASP A 4 -7.833 -10.311 -8.682 1.00 43.32 O ATOM 57 OD2 ASP A 4 -9.856 -10.391 -7.869 1.00 34.22 O ATOM 0 H ASP A 4 -8.854 -7.958 -7.345 1.00 45.21 H new ATOM 0 HA ASP A 4 -7.285 -8.500 -5.086 1.00 30.24 H new ATOM 0 HB2 ASP A 4 -7.412 -10.899 -6.076 1.00 12.25 H new ATOM 0 HB3 ASP A 4 -8.905 -10.110 -5.608 1.00 12.25 H new ATOM 62 N HIS A 5 -5.693 -8.729 -7.945 1.00 0.44 N ATOM 63 CA HIS A 5 -4.365 -8.824 -8.535 1.00 12.15 C ATOM 64 C HIS A 5 -3.586 -7.534 -8.329 1.00 1.32 C ATOM 65 O HIS A 5 -2.357 -7.547 -8.226 1.00 54.31 O ATOM 66 CB HIS A 5 -4.460 -9.163 -10.024 1.00 5.12 C ATOM 67 CG HIS A 5 -4.693 -10.619 -10.284 1.00 32.11 C ATOM 68 ND1 HIS A 5 -5.908 -11.238 -10.103 1.00 41.05 N ATOM 69 CD2 HIS A 5 -3.843 -11.588 -10.692 1.00 11.21 C ATOM 70 CE1 HIS A 5 -5.796 -12.519 -10.386 1.00 24.11 C ATOM 71 NE2 HIS A 5 -4.552 -12.763 -10.745 1.00 44.23 N ATOM 0 H HIS A 5 -6.438 -8.532 -8.613 1.00 0.44 H new ATOM 0 HA HIS A 5 -3.828 -9.628 -8.032 1.00 12.15 H new ATOM 0 HB2 HIS A 5 -5.270 -8.587 -10.470 1.00 5.12 H new ATOM 0 HB3 HIS A 5 -3.539 -8.855 -10.520 1.00 5.12 H new ATOM 0 HD1 HIS A 5 -6.764 -10.776 -9.797 1.00 41.05 H new ATOM 0 HD2 HIS A 5 -2.798 -11.461 -10.932 1.00 11.21 H new ATOM 0 HE1 HIS A 5 -6.591 -13.248 -10.333 1.00 24.11 H new ATOM 80 N GLU A 6 -4.306 -6.424 -8.250 1.00 62.33 N ATOM 81 CA GLU A 6 -3.685 -5.130 -8.008 1.00 72.51 C ATOM 82 C GLU A 6 -3.102 -5.083 -6.597 1.00 3.45 C ATOM 83 O GLU A 6 -2.128 -4.378 -6.341 1.00 63.03 O ATOM 84 CB GLU A 6 -4.690 -3.994 -8.215 1.00 44.13 C ATOM 85 CG GLU A 6 -5.387 -4.034 -9.568 1.00 61.14 C ATOM 86 CD GLU A 6 -4.422 -4.179 -10.731 1.00 53.00 C ATOM 87 OE1 GLU A 6 -3.763 -3.183 -11.092 1.00 71.14 O ATOM 88 OE2 GLU A 6 -4.330 -5.291 -11.296 1.00 53.35 O ATOM 0 H GLU A 6 -5.321 -6.394 -8.350 1.00 62.33 H new ATOM 0 HA GLU A 6 -2.876 -4.996 -8.726 1.00 72.51 H new ATOM 0 HB2 GLU A 6 -5.442 -4.038 -7.427 1.00 44.13 H new ATOM 0 HB3 GLU A 6 -4.173 -3.040 -8.110 1.00 44.13 H new ATOM 0 HG2 GLU A 6 -6.092 -4.865 -9.583 1.00 61.14 H new ATOM 0 HG3 GLU A 6 -5.968 -3.121 -9.698 1.00 61.14 H new ATOM 95 N VAL A 7 -3.708 -5.839 -5.682 1.00 62.13 N ATOM 96 CA VAL A 7 -3.171 -5.989 -4.333 1.00 3.42 C ATOM 97 C VAL A 7 -1.743 -6.533 -4.388 1.00 50.12 C ATOM 98 O VAL A 7 -0.863 -6.066 -3.668 1.00 2.22 O ATOM 99 CB VAL A 7 -4.037 -6.937 -3.476 1.00 32.44 C ATOM 100 CG1 VAL A 7 -3.471 -7.070 -2.072 1.00 0.32 C ATOM 101 CG2 VAL A 7 -5.473 -6.449 -3.407 1.00 22.51 C ATOM 0 H VAL A 7 -4.571 -6.356 -5.852 1.00 62.13 H new ATOM 0 HA VAL A 7 -3.177 -5.001 -3.872 1.00 3.42 H new ATOM 0 HB VAL A 7 -4.023 -7.916 -3.954 1.00 32.44 H new ATOM 0 HG11 VAL A 7 -4.099 -7.743 -1.489 1.00 0.32 H new ATOM 0 HG12 VAL A 7 -2.459 -7.472 -2.124 1.00 0.32 H new ATOM 0 HG13 VAL A 7 -3.448 -6.090 -1.595 1.00 0.32 H new ATOM 0 HG21 VAL A 7 -6.061 -7.135 -2.797 1.00 22.51 H new ATOM 0 HG22 VAL A 7 -5.498 -5.455 -2.962 1.00 22.51 H new ATOM 0 HG23 VAL A 7 -5.892 -6.407 -4.413 1.00 22.51 H new ATOM 111 N ASN A 8 -1.521 -7.515 -5.259 1.00 4.40 N ATOM 112 CA ASN A 8 -0.182 -8.075 -5.460 1.00 65.32 C ATOM 113 C ASN A 8 0.754 -6.992 -5.966 1.00 12.42 C ATOM 114 O ASN A 8 1.899 -6.891 -5.530 1.00 21.15 O ATOM 115 CB ASN A 8 -0.216 -9.227 -6.473 1.00 25.12 C ATOM 116 CG ASN A 8 1.132 -9.919 -6.632 1.00 21.21 C ATOM 117 OD1 ASN A 8 1.414 -10.915 -5.967 1.00 33.32 O ATOM 118 ND2 ASN A 8 1.976 -9.402 -7.515 1.00 22.31 N ATOM 0 H ASN A 8 -2.247 -7.940 -5.836 1.00 4.40 H new ATOM 0 HA ASN A 8 0.175 -8.460 -4.504 1.00 65.32 H new ATOM 0 HB2 ASN A 8 -0.959 -9.959 -6.158 1.00 25.12 H new ATOM 0 HB3 ASN A 8 -0.538 -8.843 -7.441 1.00 25.12 H new ATOM 0 HD21 ASN A 8 2.890 -9.831 -7.659 1.00 22.31 H new ATOM 0 HD22 ASN A 8 1.711 -8.575 -8.050 1.00 22.31 H new ATOM 125 N LEU A 9 0.246 -6.175 -6.882 1.00 34.22 N ATOM 126 CA LEU A 9 1.019 -5.076 -7.438 1.00 14.34 C ATOM 127 C LEU A 9 1.415 -4.098 -6.335 1.00 54.24 C ATOM 128 O LEU A 9 2.552 -3.628 -6.280 1.00 53.01 O ATOM 129 CB LEU A 9 0.212 -4.361 -8.519 1.00 13.41 C ATOM 130 CG LEU A 9 0.855 -3.093 -9.074 1.00 1.43 C ATOM 131 CD1 LEU A 9 2.161 -3.414 -9.779 1.00 12.52 C ATOM 132 CD2 LEU A 9 -0.103 -2.377 -10.011 1.00 55.00 C ATOM 0 H LEU A 9 -0.700 -6.255 -7.254 1.00 34.22 H new ATOM 0 HA LEU A 9 1.927 -5.477 -7.888 1.00 14.34 H new ATOM 0 HB2 LEU A 9 0.043 -5.054 -9.343 1.00 13.41 H new ATOM 0 HB3 LEU A 9 -0.766 -4.105 -8.111 1.00 13.41 H new ATOM 0 HG LEU A 9 1.078 -2.429 -8.239 1.00 1.43 H new ATOM 0 HD11 LEU A 9 2.601 -2.495 -10.166 1.00 12.52 H new ATOM 0 HD12 LEU A 9 2.851 -3.877 -9.074 1.00 12.52 H new ATOM 0 HD13 LEU A 9 1.970 -4.100 -10.604 1.00 12.52 H new ATOM 0 HD21 LEU A 9 0.372 -1.475 -10.397 1.00 55.00 H new ATOM 0 HD22 LEU A 9 -0.361 -3.035 -10.841 1.00 55.00 H new ATOM 0 HD23 LEU A 9 -1.009 -2.106 -9.468 1.00 55.00 H new ATOM 144 N LEU A 10 0.465 -3.814 -5.451 1.00 71.33 N ATOM 145 CA LEU A 10 0.713 -2.978 -4.286 1.00 72.40 C ATOM 146 C LEU A 10 1.853 -3.560 -3.459 1.00 71.13 C ATOM 147 O LEU A 10 2.777 -2.850 -3.073 1.00 5.24 O ATOM 148 CB LEU A 10 -0.557 -2.879 -3.435 1.00 44.30 C ATOM 149 CG LEU A 10 -0.447 -2.026 -2.170 1.00 42.55 C ATOM 150 CD1 LEU A 10 -0.212 -0.563 -2.523 1.00 54.21 C ATOM 151 CD2 LEU A 10 -1.702 -2.178 -1.321 1.00 42.01 C ATOM 0 H LEU A 10 -0.493 -4.156 -5.522 1.00 71.33 H new ATOM 0 HA LEU A 10 0.995 -1.979 -4.619 1.00 72.40 H new ATOM 0 HB2 LEU A 10 -1.356 -2.474 -4.055 1.00 44.30 H new ATOM 0 HB3 LEU A 10 -0.857 -3.886 -3.146 1.00 44.30 H new ATOM 0 HG LEU A 10 0.408 -2.375 -1.592 1.00 42.55 H new ATOM 0 HD11 LEU A 10 -0.137 0.025 -1.608 1.00 54.21 H new ATOM 0 HD12 LEU A 10 0.714 -0.470 -3.091 1.00 54.21 H new ATOM 0 HD13 LEU A 10 -1.044 -0.195 -3.123 1.00 54.21 H new ATOM 0 HD21 LEU A 10 -1.611 -1.566 -0.424 1.00 42.01 H new ATOM 0 HD22 LEU A 10 -2.571 -1.854 -1.894 1.00 42.01 H new ATOM 0 HD23 LEU A 10 -1.824 -3.223 -1.036 1.00 42.01 H new ATOM 163 N VAL A 11 1.785 -4.863 -3.218 1.00 5.12 N ATOM 164 CA VAL A 11 2.812 -5.573 -2.470 1.00 34.53 C ATOM 165 C VAL A 11 4.186 -5.414 -3.127 1.00 21.53 C ATOM 166 O VAL A 11 5.188 -5.181 -2.442 1.00 4.52 O ATOM 167 CB VAL A 11 2.456 -7.070 -2.349 1.00 64.42 C ATOM 168 CG1 VAL A 11 3.595 -7.862 -1.737 1.00 73.42 C ATOM 169 CG2 VAL A 11 1.188 -7.246 -1.531 1.00 2.15 C ATOM 0 H VAL A 11 1.018 -5.455 -3.535 1.00 5.12 H new ATOM 0 HA VAL A 11 2.857 -5.137 -1.472 1.00 34.53 H new ATOM 0 HB VAL A 11 2.285 -7.456 -3.354 1.00 64.42 H new ATOM 0 HG11 VAL A 11 3.311 -8.912 -1.666 1.00 73.42 H new ATOM 0 HG12 VAL A 11 4.482 -7.767 -2.364 1.00 73.42 H new ATOM 0 HG13 VAL A 11 3.812 -7.477 -0.741 1.00 73.42 H new ATOM 0 HG21 VAL A 11 0.949 -8.307 -1.454 1.00 2.15 H new ATOM 0 HG22 VAL A 11 1.339 -6.835 -0.533 1.00 2.15 H new ATOM 0 HG23 VAL A 11 0.365 -6.723 -2.018 1.00 2.15 H new ATOM 179 N GLU A 12 4.223 -5.527 -4.450 1.00 43.11 N ATOM 180 CA GLU A 12 5.464 -5.367 -5.201 1.00 50.13 C ATOM 181 C GLU A 12 6.035 -3.962 -5.009 1.00 13.40 C ATOM 182 O GLU A 12 7.228 -3.795 -4.735 1.00 61.55 O ATOM 183 CB GLU A 12 5.233 -5.653 -6.690 1.00 24.44 C ATOM 184 CG GLU A 12 4.714 -7.058 -6.962 1.00 13.02 C ATOM 185 CD GLU A 12 4.584 -7.370 -8.440 1.00 63.30 C ATOM 186 OE1 GLU A 12 5.582 -7.811 -9.048 1.00 11.13 O ATOM 187 OE2 GLU A 12 3.481 -7.194 -9.003 1.00 21.20 O ATOM 0 H GLU A 12 3.406 -5.729 -5.026 1.00 43.11 H new ATOM 0 HA GLU A 12 6.189 -6.086 -4.819 1.00 50.13 H new ATOM 0 HB2 GLU A 12 4.522 -4.928 -7.086 1.00 24.44 H new ATOM 0 HB3 GLU A 12 6.169 -5.509 -7.230 1.00 24.44 H new ATOM 0 HG2 GLU A 12 5.386 -7.782 -6.502 1.00 13.02 H new ATOM 0 HG3 GLU A 12 3.741 -7.178 -6.485 1.00 13.02 H new ATOM 194 N GLU A 13 5.176 -2.956 -5.129 1.00 43.52 N ATOM 195 CA GLU A 13 5.591 -1.569 -4.943 1.00 5.53 C ATOM 196 C GLU A 13 6.061 -1.324 -3.511 1.00 64.23 C ATOM 197 O GLU A 13 7.013 -0.583 -3.282 1.00 35.51 O ATOM 198 CB GLU A 13 4.454 -0.613 -5.301 1.00 71.33 C ATOM 199 CG GLU A 13 4.105 -0.619 -6.783 1.00 40.14 C ATOM 200 CD GLU A 13 5.310 -0.351 -7.667 1.00 31.23 C ATOM 201 OE1 GLU A 13 6.015 0.649 -7.432 1.00 31.31 O ATOM 202 OE2 GLU A 13 5.565 -1.150 -8.595 1.00 42.01 O ATOM 0 H GLU A 13 4.188 -3.074 -5.354 1.00 43.52 H new ATOM 0 HA GLU A 13 6.429 -1.378 -5.613 1.00 5.53 H new ATOM 0 HB2 GLU A 13 3.568 -0.882 -4.725 1.00 71.33 H new ATOM 0 HB3 GLU A 13 4.732 0.398 -5.005 1.00 71.33 H new ATOM 0 HG2 GLU A 13 3.673 -1.584 -7.047 1.00 40.14 H new ATOM 0 HG3 GLU A 13 3.342 0.135 -6.976 1.00 40.14 H new ATOM 209 N ILE A 14 5.404 -1.961 -2.555 1.00 1.30 N ATOM 210 CA ILE A 14 5.808 -1.867 -1.156 1.00 35.24 C ATOM 211 C ILE A 14 7.209 -2.449 -0.959 1.00 14.11 C ATOM 212 O ILE A 14 7.982 -1.971 -0.132 1.00 3.21 O ATOM 213 CB ILE A 14 4.792 -2.577 -0.231 1.00 21.52 C ATOM 214 CG1 ILE A 14 3.443 -1.855 -0.299 1.00 61.24 C ATOM 215 CG2 ILE A 14 5.302 -2.624 1.206 1.00 35.20 C ATOM 216 CD1 ILE A 14 2.328 -2.563 0.435 1.00 63.45 C ATOM 0 H ILE A 14 4.588 -2.550 -2.720 1.00 1.30 H new ATOM 0 HA ILE A 14 5.829 -0.811 -0.885 1.00 35.24 H new ATOM 0 HB ILE A 14 4.666 -3.604 -0.573 1.00 21.52 H new ATOM 0 HG12 ILE A 14 3.558 -0.853 0.115 1.00 61.24 H new ATOM 0 HG13 ILE A 14 3.158 -1.737 -1.344 1.00 61.24 H new ATOM 0 HG21 ILE A 14 4.569 -3.128 1.836 1.00 35.20 H new ATOM 0 HG22 ILE A 14 6.245 -3.169 1.240 1.00 35.20 H new ATOM 0 HG23 ILE A 14 5.456 -1.608 1.571 1.00 35.20 H new ATOM 0 HD11 ILE A 14 1.407 -1.988 0.339 1.00 63.45 H new ATOM 0 HD12 ILE A 14 2.183 -3.555 0.007 1.00 63.45 H new ATOM 0 HD13 ILE A 14 2.589 -2.657 1.489 1.00 63.45 H new ATOM 228 N HIS A 15 7.537 -3.474 -1.735 1.00 54.41 N ATOM 229 CA HIS A 15 8.863 -4.080 -1.681 1.00 51.13 C ATOM 230 C HIS A 15 9.946 -3.099 -2.117 1.00 22.32 C ATOM 231 O HIS A 15 11.007 -3.021 -1.501 1.00 20.24 O ATOM 232 CB HIS A 15 8.926 -5.329 -2.559 1.00 21.44 C ATOM 233 CG HIS A 15 8.591 -6.596 -1.839 1.00 44.51 C ATOM 234 ND1 HIS A 15 9.554 -7.453 -1.357 1.00 40.24 N ATOM 235 CD2 HIS A 15 7.400 -7.152 -1.513 1.00 55.05 C ATOM 236 CE1 HIS A 15 8.975 -8.478 -0.768 1.00 71.23 C ATOM 237 NE2 HIS A 15 7.672 -8.319 -0.848 1.00 32.32 N ATOM 0 H HIS A 15 6.904 -3.904 -2.409 1.00 54.41 H new ATOM 0 HA HIS A 15 9.045 -4.359 -0.643 1.00 51.13 H new ATOM 0 HB2 HIS A 15 8.239 -5.207 -3.397 1.00 21.44 H new ATOM 0 HB3 HIS A 15 9.928 -5.416 -2.978 1.00 21.44 H new ATOM 0 HD2 HIS A 15 6.422 -6.752 -1.735 1.00 55.05 H new ATOM 0 HE1 HIS A 15 9.483 -9.308 -0.299 1.00 71.23 H new ATOM 0 HE2 HIS A 15 6.974 -8.962 -0.474 1.00 32.32 H new ATOM 246 N ARG A 16 9.678 -2.356 -3.181 1.00 12.15 N ATOM 247 CA ARG A 16 10.676 -1.447 -3.743 1.00 44.44 C ATOM 248 C ARG A 16 10.667 -0.080 -3.060 1.00 34.03 C ATOM 249 O ARG A 16 11.719 0.517 -2.846 1.00 63.41 O ATOM 250 CB ARG A 16 10.464 -1.299 -5.252 1.00 25.22 C ATOM 251 CG ARG A 16 9.040 -0.938 -5.641 1.00 44.20 C ATOM 252 CD ARG A 16 8.781 -1.231 -7.106 1.00 4.12 C ATOM 253 NE ARG A 16 9.176 -2.596 -7.450 1.00 15.01 N ATOM 254 CZ ARG A 16 8.632 -3.316 -8.427 1.00 35.03 C ATOM 255 NH1 ARG A 16 7.575 -2.862 -9.092 1.00 54.43 N ATOM 256 NH2 ARG A 16 9.125 -4.515 -8.706 1.00 44.11 N ATOM 0 H ARG A 16 8.784 -2.362 -3.673 1.00 12.15 H new ATOM 0 HA ARG A 16 11.657 -1.885 -3.560 1.00 44.44 H new ATOM 0 HB2 ARG A 16 11.139 -0.532 -5.630 1.00 25.22 H new ATOM 0 HB3 ARG A 16 10.738 -2.234 -5.741 1.00 25.22 H new ATOM 0 HG2 ARG A 16 8.338 -1.501 -5.025 1.00 44.20 H new ATOM 0 HG3 ARG A 16 8.863 0.119 -5.442 1.00 44.20 H new ATOM 0 HD2 ARG A 16 7.723 -1.089 -7.326 1.00 4.12 H new ATOM 0 HD3 ARG A 16 9.333 -0.523 -7.724 1.00 4.12 H new ATOM 0 HE ARG A 16 9.921 -3.026 -6.902 1.00 15.01 H new ATOM 0 HH11 ARG A 16 7.174 -1.955 -8.855 1.00 54.43 H new ATOM 0 HH12 ARG A 16 7.164 -3.421 -9.840 1.00 54.43 H new ATOM 0 HH21 ARG A 16 9.915 -4.878 -8.173 1.00 44.11 H new ATOM 0 HH22 ARG A 16 8.714 -5.074 -9.454 1.00 44.11 H new ATOM 270 N LEU A 17 9.490 0.405 -2.703 1.00 73.22 N ATOM 271 CA LEU A 17 9.368 1.741 -2.134 1.00 11.13 C ATOM 272 C LEU A 17 9.391 1.697 -0.608 1.00 13.32 C ATOM 273 O LEU A 17 9.366 2.737 0.052 1.00 62.22 O ATOM 274 CB LEU A 17 8.073 2.407 -2.616 1.00 61.32 C ATOM 275 CG LEU A 17 7.864 2.426 -4.136 1.00 2.11 C ATOM 276 CD1 LEU A 17 6.567 3.139 -4.485 1.00 64.23 C ATOM 277 CD2 LEU A 17 9.042 3.083 -4.840 1.00 11.04 C ATOM 0 H LEU A 17 8.609 -0.101 -2.795 1.00 73.22 H new ATOM 0 HA LEU A 17 10.223 2.327 -2.472 1.00 11.13 H new ATOM 0 HB2 LEU A 17 7.228 1.893 -2.157 1.00 61.32 H new ATOM 0 HB3 LEU A 17 8.056 3.434 -2.252 1.00 61.32 H new ATOM 0 HG LEU A 17 7.797 1.395 -4.482 1.00 2.11 H new ATOM 0 HD11 LEU A 17 6.434 3.144 -5.567 1.00 64.23 H new ATOM 0 HD12 LEU A 17 5.730 2.620 -4.019 1.00 64.23 H new ATOM 0 HD13 LEU A 17 6.606 4.165 -4.120 1.00 64.23 H new ATOM 0 HD21 LEU A 17 8.869 3.083 -5.916 1.00 11.04 H new ATOM 0 HD22 LEU A 17 9.149 4.109 -4.489 1.00 11.04 H new ATOM 0 HD23 LEU A 17 9.953 2.527 -4.620 1.00 11.04 H new ATOM 289 N GLY A 18 9.440 0.495 -0.049 1.00 42.54 N ATOM 290 CA GLY A 18 9.402 0.352 1.393 1.00 40.21 C ATOM 291 C GLY A 18 10.634 -0.325 1.958 1.00 11.13 C ATOM 292 O GLY A 18 11.502 -0.782 1.213 1.00 24.14 O ATOM 0 H GLY A 18 9.505 -0.381 -0.567 1.00 42.54 H new ATOM 0 HA2 GLY A 18 9.296 1.337 1.847 1.00 40.21 H new ATOM 0 HA3 GLY A 18 8.519 -0.223 1.672 1.00 40.21 H new ATOM 296 N SER A 19 10.704 -0.384 3.281 1.00 50.25 N ATOM 297 CA SER A 19 11.829 -0.980 3.984 1.00 32.12 C ATOM 298 C SER A 19 11.328 -1.829 5.149 1.00 4.30 C ATOM 299 O SER A 19 10.211 -1.630 5.625 1.00 62.42 O ATOM 300 CB SER A 19 12.760 0.117 4.499 1.00 43.23 C ATOM 301 OG SER A 19 13.231 0.932 3.438 1.00 44.42 O ATOM 0 H SER A 19 9.979 -0.018 3.898 1.00 50.25 H new ATOM 0 HA SER A 19 12.380 -1.619 3.294 1.00 32.12 H new ATOM 0 HB2 SER A 19 12.232 0.733 5.227 1.00 43.23 H new ATOM 0 HB3 SER A 19 13.606 -0.334 5.017 1.00 43.23 H new ATOM 0 HG SER A 19 13.823 1.626 3.796 1.00 44.42 H new ATOM 307 N LYS A 20 12.142 -2.778 5.597 1.00 14.55 N ATOM 308 CA LYS A 20 11.750 -3.647 6.704 1.00 53.35 C ATOM 309 C LYS A 20 11.858 -2.921 8.040 1.00 12.31 C ATOM 310 O LYS A 20 12.830 -2.210 8.301 1.00 13.00 O ATOM 311 CB LYS A 20 12.602 -4.920 6.741 1.00 23.44 C ATOM 312 CG LYS A 20 12.198 -5.964 5.714 1.00 22.33 C ATOM 313 CD LYS A 20 13.125 -7.170 5.753 1.00 22.01 C ATOM 314 CE LYS A 20 12.669 -8.261 4.796 1.00 14.52 C ATOM 315 NZ LYS A 20 11.430 -8.940 5.269 1.00 30.24 N ATOM 0 H LYS A 20 13.069 -2.966 5.216 1.00 14.55 H new ATOM 0 HA LYS A 20 10.710 -3.926 6.538 1.00 53.35 H new ATOM 0 HB2 LYS A 20 13.646 -4.651 6.579 1.00 23.44 H new ATOM 0 HB3 LYS A 20 12.537 -5.360 7.736 1.00 23.44 H new ATOM 0 HG2 LYS A 20 11.173 -6.285 5.903 1.00 22.33 H new ATOM 0 HG3 LYS A 20 12.215 -5.522 4.718 1.00 22.33 H new ATOM 0 HD2 LYS A 20 14.137 -6.859 5.495 1.00 22.01 H new ATOM 0 HD3 LYS A 20 13.162 -7.568 6.767 1.00 22.01 H new ATOM 0 HE2 LYS A 20 12.491 -7.828 3.812 1.00 14.52 H new ATOM 0 HE3 LYS A 20 13.464 -8.998 4.681 1.00 14.52 H new ATOM 0 HZ1 LYS A 20 11.595 -9.965 5.323 1.00 30.24 H new ATOM 0 HZ2 LYS A 20 11.175 -8.580 6.211 1.00 30.24 H new ATOM 0 HZ3 LYS A 20 10.654 -8.749 4.603 1.00 30.24 H new ATOM 329 N ASN A 21 10.831 -3.086 8.861 1.00 0.41 N ATOM 330 CA ASN A 21 10.796 -2.518 10.204 1.00 15.13 C ATOM 331 C ASN A 21 11.414 -3.484 11.210 1.00 2.24 C ATOM 332 O ASN A 21 11.981 -4.508 10.827 1.00 23.01 O ATOM 333 CB ASN A 21 9.354 -2.159 10.599 1.00 41.13 C ATOM 334 CG ASN A 21 8.386 -3.333 10.530 1.00 74.13 C ATOM 335 OD1 ASN A 21 8.749 -4.482 10.783 1.00 42.55 O ATOM 336 ND2 ASN A 21 7.140 -3.052 10.173 1.00 70.44 N ATOM 0 H ASN A 21 9.996 -3.618 8.616 1.00 0.41 H new ATOM 0 HA ASN A 21 11.387 -1.602 10.209 1.00 15.13 H new ATOM 0 HB2 ASN A 21 9.354 -1.760 11.613 1.00 41.13 H new ATOM 0 HB3 ASN A 21 8.995 -1.365 9.944 1.00 41.13 H new ATOM 0 HD21 ASN A 21 6.449 -3.799 10.101 1.00 70.44 H new ATOM 0 HD22 ASN A 21 6.872 -2.089 9.970 1.00 70.44 H new ATOM 343 N ALA A 22 11.284 -3.167 12.494 1.00 61.00 N ATOM 344 CA ALA A 22 11.905 -3.957 13.553 1.00 10.51 C ATOM 345 C ALA A 22 11.309 -5.362 13.658 1.00 3.30 C ATOM 346 O ALA A 22 11.903 -6.251 14.263 1.00 32.31 O ATOM 347 CB ALA A 22 11.779 -3.232 14.879 1.00 71.11 C ATOM 0 H ALA A 22 10.751 -2.364 12.828 1.00 61.00 H new ATOM 0 HA ALA A 22 12.958 -4.075 13.298 1.00 10.51 H new ATOM 0 HB1 ALA A 22 12.244 -3.827 15.665 1.00 71.11 H new ATOM 0 HB2 ALA A 22 12.277 -2.265 14.813 1.00 71.11 H new ATOM 0 HB3 ALA A 22 10.725 -3.083 15.113 1.00 71.11 H new ATOM 353 N ASP A 23 10.140 -5.560 13.068 1.00 4.00 N ATOM 354 CA ASP A 23 9.484 -6.864 13.093 1.00 11.42 C ATOM 355 C ASP A 23 9.907 -7.693 11.884 1.00 32.14 C ATOM 356 O ASP A 23 9.711 -8.907 11.835 1.00 14.53 O ATOM 357 CB ASP A 23 7.965 -6.684 13.110 1.00 0.52 C ATOM 358 CG ASP A 23 7.222 -8.000 13.206 1.00 1.40 C ATOM 359 OD1 ASP A 23 7.102 -8.540 14.324 1.00 43.12 O ATOM 360 OD2 ASP A 23 6.745 -8.496 12.165 1.00 22.41 O ATOM 0 H ASP A 23 9.624 -4.837 12.566 1.00 4.00 H new ATOM 0 HA ASP A 23 9.786 -7.393 13.997 1.00 11.42 H new ATOM 0 HB2 ASP A 23 7.687 -6.052 13.954 1.00 0.52 H new ATOM 0 HB3 ASP A 23 7.655 -6.161 12.205 1.00 0.52 H new ATOM 365 N GLY A 24 10.513 -7.024 10.916 1.00 74.41 N ATOM 366 CA GLY A 24 10.935 -7.687 9.700 1.00 14.23 C ATOM 367 C GLY A 24 9.914 -7.547 8.592 1.00 70.52 C ATOM 368 O GLY A 24 10.131 -8.015 7.474 1.00 14.40 O ATOM 0 H GLY A 24 10.722 -6.026 10.951 1.00 74.41 H new ATOM 0 HA2 GLY A 24 11.886 -7.269 9.371 1.00 14.23 H new ATOM 0 HA3 GLY A 24 11.105 -8.744 9.904 1.00 14.23 H new ATOM 372 N LYS A 25 8.807 -6.882 8.892 1.00 3.52 N ATOM 373 CA LYS A 25 7.791 -6.617 7.887 1.00 30.45 C ATOM 374 C LYS A 25 8.158 -5.361 7.120 1.00 64.15 C ATOM 375 O LYS A 25 8.928 -4.536 7.604 1.00 53.14 O ATOM 376 CB LYS A 25 6.408 -6.443 8.521 1.00 55.42 C ATOM 377 CG LYS A 25 5.869 -7.695 9.192 1.00 10.40 C ATOM 378 CD LYS A 25 4.381 -7.565 9.477 1.00 64.10 C ATOM 379 CE LYS A 25 3.832 -8.787 10.200 1.00 2.13 C ATOM 380 NZ LYS A 25 4.215 -8.804 11.636 1.00 71.30 N ATOM 0 H LYS A 25 8.591 -6.518 9.820 1.00 3.52 H new ATOM 0 HA LYS A 25 7.748 -7.472 7.212 1.00 30.45 H new ATOM 0 HB2 LYS A 25 6.457 -5.642 9.258 1.00 55.42 H new ATOM 0 HB3 LYS A 25 5.705 -6.126 7.751 1.00 55.42 H new ATOM 0 HG2 LYS A 25 6.046 -8.559 8.552 1.00 10.40 H new ATOM 0 HG3 LYS A 25 6.407 -7.873 10.123 1.00 10.40 H new ATOM 0 HD2 LYS A 25 4.204 -6.676 10.082 1.00 64.10 H new ATOM 0 HD3 LYS A 25 3.843 -7.426 8.539 1.00 64.10 H new ATOM 0 HE2 LYS A 25 2.745 -8.801 10.115 1.00 2.13 H new ATOM 0 HE3 LYS A 25 4.201 -9.691 9.716 1.00 2.13 H new ATOM 0 HZ1 LYS A 25 3.593 -9.457 12.154 1.00 71.30 H new ATOM 0 HZ2 LYS A 25 5.202 -9.119 11.728 1.00 71.30 H new ATOM 0 HZ3 LYS A 25 4.119 -7.847 12.032 1.00 71.30 H new ATOM 394 N LEU A 26 7.618 -5.218 5.927 1.00 54.12 N ATOM 395 CA LEU A 26 7.899 -4.049 5.116 1.00 41.54 C ATOM 396 C LEU A 26 6.976 -2.912 5.494 1.00 11.21 C ATOM 397 O LEU A 26 5.831 -3.131 5.871 1.00 70.10 O ATOM 398 CB LEU A 26 7.745 -4.375 3.631 1.00 72.35 C ATOM 399 CG LEU A 26 8.778 -5.346 3.067 1.00 73.22 C ATOM 400 CD1 LEU A 26 8.413 -5.739 1.650 1.00 24.32 C ATOM 401 CD2 LEU A 26 10.169 -4.730 3.102 1.00 15.31 C ATOM 0 H LEU A 26 6.985 -5.893 5.498 1.00 54.12 H new ATOM 0 HA LEU A 26 8.929 -3.744 5.301 1.00 41.54 H new ATOM 0 HB2 LEU A 26 6.751 -4.792 3.469 1.00 72.35 H new ATOM 0 HB3 LEU A 26 7.797 -3.445 3.064 1.00 72.35 H new ATOM 0 HG LEU A 26 8.782 -6.241 3.688 1.00 73.22 H new ATOM 0 HD11 LEU A 26 9.159 -6.432 1.261 1.00 24.32 H new ATOM 0 HD12 LEU A 26 7.435 -6.219 1.646 1.00 24.32 H new ATOM 0 HD13 LEU A 26 8.382 -4.849 1.022 1.00 24.32 H new ATOM 0 HD21 LEU A 26 10.891 -5.438 2.696 1.00 15.31 H new ATOM 0 HD22 LEU A 26 10.179 -3.819 2.504 1.00 15.31 H new ATOM 0 HD23 LEU A 26 10.435 -4.491 4.132 1.00 15.31 H new ATOM 413 N SER A 27 7.492 -1.708 5.442 1.00 11.31 N ATOM 414 CA SER A 27 6.680 -0.532 5.650 1.00 3.31 C ATOM 415 C SER A 27 7.095 0.545 4.659 1.00 4.35 C ATOM 416 O SER A 27 8.281 0.691 4.351 1.00 43.02 O ATOM 417 CB SER A 27 6.834 -0.045 7.092 1.00 14.33 C ATOM 418 OG SER A 27 6.578 -1.094 8.012 1.00 72.21 O ATOM 0 H SER A 27 8.476 -1.516 5.256 1.00 11.31 H new ATOM 0 HA SER A 27 5.629 -0.770 5.485 1.00 3.31 H new ATOM 0 HB2 SER A 27 7.843 0.339 7.244 1.00 14.33 H new ATOM 0 HB3 SER A 27 6.147 0.781 7.276 1.00 14.33 H new ATOM 0 HG SER A 27 7.318 -1.736 7.990 1.00 72.21 H new ATOM 424 N VAL A 28 6.123 1.278 4.152 1.00 12.02 N ATOM 425 CA VAL A 28 6.374 2.294 3.148 1.00 31.31 C ATOM 426 C VAL A 28 5.632 3.574 3.498 1.00 50.42 C ATOM 427 O VAL A 28 4.493 3.529 3.959 1.00 54.41 O ATOM 428 CB VAL A 28 5.944 1.798 1.742 1.00 32.31 C ATOM 429 CG1 VAL A 28 4.484 1.369 1.730 1.00 62.41 C ATOM 430 CG2 VAL A 28 6.190 2.862 0.686 1.00 35.24 C ATOM 0 H VAL A 28 5.144 1.187 4.422 1.00 12.02 H new ATOM 0 HA VAL A 28 7.445 2.497 3.129 1.00 31.31 H new ATOM 0 HB VAL A 28 6.557 0.929 1.503 1.00 32.31 H new ATOM 0 HG11 VAL A 28 4.214 1.027 0.731 1.00 62.41 H new ATOM 0 HG12 VAL A 28 4.337 0.558 2.443 1.00 62.41 H new ATOM 0 HG13 VAL A 28 3.854 2.214 2.007 1.00 62.41 H new ATOM 0 HG21 VAL A 28 5.879 2.486 -0.289 1.00 35.24 H new ATOM 0 HG22 VAL A 28 5.616 3.756 0.930 1.00 35.24 H new ATOM 0 HG23 VAL A 28 7.251 3.108 0.658 1.00 35.24 H new ATOM 440 N LYS A 29 6.282 4.712 3.309 1.00 3.11 N ATOM 441 CA LYS A 29 5.631 5.988 3.550 1.00 62.22 C ATOM 442 C LYS A 29 4.509 6.185 2.556 1.00 61.13 C ATOM 443 O LYS A 29 4.662 5.908 1.363 1.00 62.31 O ATOM 444 CB LYS A 29 6.608 7.152 3.429 1.00 44.22 C ATOM 445 CG LYS A 29 7.815 7.020 4.320 1.00 32.43 C ATOM 446 CD LYS A 29 7.453 7.082 5.791 1.00 23.02 C ATOM 447 CE LYS A 29 8.677 6.856 6.661 1.00 74.34 C ATOM 448 NZ LYS A 29 9.257 5.499 6.464 1.00 64.22 N ATOM 0 H LYS A 29 7.250 4.778 2.993 1.00 3.11 H new ATOM 0 HA LYS A 29 5.240 5.971 4.567 1.00 62.22 H new ATOM 0 HB2 LYS A 29 6.938 7.232 2.393 1.00 44.22 H new ATOM 0 HB3 LYS A 29 6.088 8.079 3.671 1.00 44.22 H new ATOM 0 HG2 LYS A 29 8.317 6.075 4.111 1.00 32.43 H new ATOM 0 HG3 LYS A 29 8.524 7.815 4.089 1.00 32.43 H new ATOM 0 HD2 LYS A 29 7.013 8.052 6.021 1.00 23.02 H new ATOM 0 HD3 LYS A 29 6.698 6.329 6.016 1.00 23.02 H new ATOM 0 HE2 LYS A 29 9.430 7.609 6.430 1.00 74.34 H new ATOM 0 HE3 LYS A 29 8.406 6.986 7.709 1.00 74.34 H new ATOM 0 HZ1 LYS A 29 9.866 5.261 7.273 1.00 64.22 H new ATOM 0 HZ2 LYS A 29 8.490 4.801 6.391 1.00 64.22 H new ATOM 0 HZ3 LYS A 29 9.821 5.486 5.591 1.00 64.22 H new ATOM 462 N PHE A 30 3.393 6.663 3.048 1.00 1.22 N ATOM 463 CA PHE A 30 2.260 6.939 2.191 1.00 60.20 C ATOM 464 C PHE A 30 2.638 7.999 1.165 1.00 31.51 C ATOM 465 O PHE A 30 2.268 7.913 -0.005 1.00 22.44 O ATOM 466 CB PHE A 30 1.058 7.404 3.012 1.00 4.33 C ATOM 467 CG PHE A 30 -0.154 7.650 2.168 1.00 61.01 C ATOM 468 CD1 PHE A 30 -0.836 6.587 1.610 1.00 2.14 C ATOM 469 CD2 PHE A 30 -0.600 8.938 1.919 1.00 62.30 C ATOM 470 CE1 PHE A 30 -1.943 6.798 0.814 1.00 72.14 C ATOM 471 CE2 PHE A 30 -1.707 9.158 1.126 1.00 11.54 C ATOM 472 CZ PHE A 30 -2.379 8.085 0.572 1.00 51.42 C ATOM 0 H PHE A 30 3.242 6.870 4.035 1.00 1.22 H new ATOM 0 HA PHE A 30 1.983 6.020 1.674 1.00 60.20 H new ATOM 0 HB2 PHE A 30 0.825 6.652 3.766 1.00 4.33 H new ATOM 0 HB3 PHE A 30 1.318 8.319 3.544 1.00 4.33 H new ATOM 0 HD1 PHE A 30 -0.499 5.578 1.799 1.00 2.14 H new ATOM 0 HD2 PHE A 30 -0.076 9.778 2.350 1.00 62.30 H new ATOM 0 HE1 PHE A 30 -2.467 5.958 0.381 1.00 72.14 H new ATOM 0 HE2 PHE A 30 -2.048 10.166 0.939 1.00 11.54 H new ATOM 0 HZ PHE A 30 -3.245 8.254 -0.050 1.00 51.42 H new ATOM 482 N GLY A 31 3.406 8.978 1.619 1.00 71.23 N ATOM 483 CA GLY A 31 3.829 10.062 0.761 1.00 20.30 C ATOM 484 C GLY A 31 4.639 9.616 -0.438 1.00 64.11 C ATOM 485 O GLY A 31 4.345 10.012 -1.565 1.00 65.41 O ATOM 0 H GLY A 31 3.747 9.039 2.578 1.00 71.23 H new ATOM 0 HA2 GLY A 31 2.948 10.601 0.412 1.00 20.30 H new ATOM 0 HA3 GLY A 31 4.422 10.765 1.346 1.00 20.30 H new ATOM 489 N VAL A 32 5.645 8.776 -0.218 1.00 54.10 N ATOM 490 CA VAL A 32 6.525 8.363 -1.296 1.00 31.40 C ATOM 491 C VAL A 32 5.796 7.472 -2.296 1.00 3.04 C ATOM 492 O VAL A 32 6.092 7.501 -3.492 1.00 13.05 O ATOM 493 CB VAL A 32 7.779 7.640 -0.771 1.00 61.33 C ATOM 494 CG1 VAL A 32 8.610 8.571 0.094 1.00 75.43 C ATOM 495 CG2 VAL A 32 7.415 6.383 0.001 1.00 12.10 C ATOM 0 H VAL A 32 5.867 8.372 0.692 1.00 54.10 H new ATOM 0 HA VAL A 32 6.845 9.274 -1.802 1.00 31.40 H new ATOM 0 HB VAL A 32 8.373 7.341 -1.635 1.00 61.33 H new ATOM 0 HG11 VAL A 32 9.492 8.042 0.455 1.00 75.43 H new ATOM 0 HG12 VAL A 32 8.921 9.434 -0.495 1.00 75.43 H new ATOM 0 HG13 VAL A 32 8.015 8.907 0.943 1.00 75.43 H new ATOM 0 HG21 VAL A 32 8.324 5.898 0.357 1.00 12.10 H new ATOM 0 HG22 VAL A 32 6.788 6.648 0.852 1.00 12.10 H new ATOM 0 HG23 VAL A 32 6.871 5.700 -0.652 1.00 12.10 H new ATOM 505 N LEU A 33 4.841 6.694 -1.804 1.00 1.31 N ATOM 506 CA LEU A 33 4.044 5.827 -2.661 1.00 72.22 C ATOM 507 C LEU A 33 3.051 6.666 -3.463 1.00 1.23 C ATOM 508 O LEU A 33 2.928 6.505 -4.678 1.00 63.14 O ATOM 509 CB LEU A 33 3.310 4.781 -1.804 1.00 41.32 C ATOM 510 CG LEU A 33 2.936 3.468 -2.514 1.00 71.33 C ATOM 511 CD1 LEU A 33 2.467 2.436 -1.500 1.00 53.51 C ATOM 512 CD2 LEU A 33 1.859 3.689 -3.569 1.00 23.33 C ATOM 0 H LEU A 33 4.599 6.646 -0.814 1.00 1.31 H new ATOM 0 HA LEU A 33 4.697 5.304 -3.359 1.00 72.22 H new ATOM 0 HB2 LEU A 33 3.936 4.540 -0.945 1.00 41.32 H new ATOM 0 HB3 LEU A 33 2.397 5.234 -1.416 1.00 41.32 H new ATOM 0 HG LEU A 33 3.829 3.098 -3.018 1.00 71.33 H new ATOM 0 HD11 LEU A 33 2.206 1.512 -2.016 1.00 53.51 H new ATOM 0 HD12 LEU A 33 3.266 2.239 -0.785 1.00 53.51 H new ATOM 0 HD13 LEU A 33 1.593 2.816 -0.971 1.00 53.51 H new ATOM 0 HD21 LEU A 33 1.620 2.740 -4.050 1.00 23.33 H new ATOM 0 HD22 LEU A 33 0.963 4.092 -3.096 1.00 23.33 H new ATOM 0 HD23 LEU A 33 2.222 4.394 -4.317 1.00 23.33 H new ATOM 524 N PHE A 34 2.369 7.586 -2.782 1.00 13.41 N ATOM 525 CA PHE A 34 1.392 8.460 -3.432 1.00 70.10 C ATOM 526 C PHE A 34 2.086 9.345 -4.463 1.00 25.52 C ATOM 527 O PHE A 34 1.537 9.637 -5.522 1.00 40.25 O ATOM 528 CB PHE A 34 0.671 9.320 -2.382 1.00 45.02 C ATOM 529 CG PHE A 34 -0.507 10.087 -2.916 1.00 73.02 C ATOM 530 CD1 PHE A 34 -1.669 9.427 -3.289 1.00 4.30 C ATOM 531 CD2 PHE A 34 -0.457 11.466 -3.037 1.00 52.04 C ATOM 532 CE1 PHE A 34 -2.757 10.130 -3.769 1.00 54.10 C ATOM 533 CE2 PHE A 34 -1.543 12.174 -3.519 1.00 52.23 C ATOM 534 CZ PHE A 34 -2.694 11.505 -3.888 1.00 13.11 C ATOM 0 H PHE A 34 2.475 7.746 -1.780 1.00 13.41 H new ATOM 0 HA PHE A 34 0.651 7.845 -3.944 1.00 70.10 H new ATOM 0 HB2 PHE A 34 0.333 8.675 -1.571 1.00 45.02 H new ATOM 0 HB3 PHE A 34 1.384 10.024 -1.953 1.00 45.02 H new ATOM 0 HD1 PHE A 34 -1.724 8.352 -3.203 1.00 4.30 H new ATOM 0 HD2 PHE A 34 0.441 11.995 -2.752 1.00 52.04 H new ATOM 0 HE1 PHE A 34 -3.657 9.604 -4.051 1.00 54.10 H new ATOM 0 HE2 PHE A 34 -1.491 13.249 -3.607 1.00 52.23 H new ATOM 0 HZ PHE A 34 -3.542 12.055 -4.268 1.00 13.11 H new ATOM 544 N ARG A 35 3.304 9.762 -4.134 1.00 52.11 N ATOM 545 CA ARG A 35 4.155 10.518 -5.049 1.00 61.21 C ATOM 546 C ARG A 35 4.306 9.795 -6.386 1.00 21.10 C ATOM 547 O ARG A 35 4.083 10.375 -7.450 1.00 3.11 O ATOM 548 CB ARG A 35 5.537 10.710 -4.416 1.00 61.42 C ATOM 549 CG ARG A 35 6.606 11.204 -5.380 1.00 30.13 C ATOM 550 CD ARG A 35 7.993 10.779 -4.921 1.00 44.42 C ATOM 551 NE ARG A 35 8.076 9.328 -4.742 1.00 10.04 N ATOM 552 CZ ARG A 35 9.203 8.619 -4.833 1.00 54.42 C ATOM 553 NH1 ARG A 35 10.352 9.222 -5.108 1.00 11.42 N ATOM 554 NH2 ARG A 35 9.171 7.303 -4.657 1.00 44.24 N ATOM 0 H ARG A 35 3.731 9.586 -3.224 1.00 52.11 H new ATOM 0 HA ARG A 35 3.688 11.485 -5.233 1.00 61.21 H new ATOM 0 HB2 ARG A 35 5.451 11.420 -3.593 1.00 61.42 H new ATOM 0 HB3 ARG A 35 5.862 9.762 -3.987 1.00 61.42 H new ATOM 0 HG2 ARG A 35 6.412 10.809 -6.377 1.00 30.13 H new ATOM 0 HG3 ARG A 35 6.560 12.291 -5.453 1.00 30.13 H new ATOM 0 HD2 ARG A 35 8.734 11.100 -5.653 1.00 44.42 H new ATOM 0 HD3 ARG A 35 8.236 11.277 -3.982 1.00 44.42 H new ATOM 0 HE ARG A 35 7.214 8.825 -4.534 1.00 10.04 H new ATOM 0 HH11 ARG A 35 10.377 10.232 -5.251 1.00 11.42 H new ATOM 0 HH12 ARG A 35 11.211 8.676 -5.177 1.00 11.42 H new ATOM 0 HH21 ARG A 35 8.287 6.837 -4.453 1.00 44.24 H new ATOM 0 HH22 ARG A 35 10.031 6.758 -4.726 1.00 44.24 H new ATOM 568 N ASP A 36 4.673 8.522 -6.321 1.00 64.44 N ATOM 569 CA ASP A 36 4.947 7.746 -7.524 1.00 51.11 C ATOM 570 C ASP A 36 3.656 7.484 -8.289 1.00 3.20 C ATOM 571 O ASP A 36 3.624 7.554 -9.520 1.00 23.15 O ATOM 572 CB ASP A 36 5.627 6.424 -7.167 1.00 72.14 C ATOM 573 CG ASP A 36 6.186 5.707 -8.385 1.00 3.32 C ATOM 574 OD1 ASP A 36 7.321 6.031 -8.799 1.00 22.23 O ATOM 575 OD2 ASP A 36 5.508 4.815 -8.927 1.00 74.41 O ATOM 0 H ASP A 36 4.788 8.005 -5.449 1.00 64.44 H new ATOM 0 HA ASP A 36 5.621 8.321 -8.159 1.00 51.11 H new ATOM 0 HB2 ASP A 36 6.434 6.614 -6.460 1.00 72.14 H new ATOM 0 HB3 ASP A 36 4.910 5.775 -6.665 1.00 72.14 H new ATOM 580 N ASP A 37 2.583 7.224 -7.550 1.00 14.31 N ATOM 581 CA ASP A 37 1.287 6.952 -8.162 1.00 1.14 C ATOM 582 C ASP A 37 0.730 8.192 -8.853 1.00 13.02 C ATOM 583 O ASP A 37 0.050 8.084 -9.866 1.00 34.10 O ATOM 584 CB ASP A 37 0.283 6.434 -7.131 1.00 71.40 C ATOM 585 CG ASP A 37 -1.052 6.089 -7.763 1.00 15.11 C ATOM 586 OD1 ASP A 37 -1.096 5.125 -8.561 1.00 55.24 O ATOM 587 OD2 ASP A 37 -2.051 6.776 -7.463 1.00 42.43 O ATOM 0 H ASP A 37 2.584 7.196 -6.530 1.00 14.31 H new ATOM 0 HA ASP A 37 1.443 6.177 -8.913 1.00 1.14 H new ATOM 0 HB2 ASP A 37 0.691 5.551 -6.640 1.00 71.40 H new ATOM 0 HB3 ASP A 37 0.134 7.188 -6.358 1.00 71.40 H new ATOM 592 N LYS A 38 1.029 9.376 -8.324 1.00 43.32 N ATOM 593 CA LYS A 38 0.617 10.615 -8.983 1.00 40.53 C ATOM 594 C LYS A 38 1.289 10.749 -10.343 1.00 33.12 C ATOM 595 O LYS A 38 0.719 11.310 -11.278 1.00 30.23 O ATOM 596 CB LYS A 38 0.955 11.853 -8.143 1.00 41.41 C ATOM 597 CG LYS A 38 0.111 12.020 -6.891 1.00 54.44 C ATOM 598 CD LYS A 38 -0.101 13.493 -6.558 1.00 34.23 C ATOM 599 CE LYS A 38 1.205 14.273 -6.572 1.00 43.44 C ATOM 600 NZ LYS A 38 0.983 15.728 -6.372 1.00 2.44 N ATOM 0 H LYS A 38 1.547 9.505 -7.455 1.00 43.32 H new ATOM 0 HA LYS A 38 -0.465 10.560 -9.104 1.00 40.53 H new ATOM 0 HB2 LYS A 38 2.005 11.803 -7.853 1.00 41.41 H new ATOM 0 HB3 LYS A 38 0.838 12.740 -8.765 1.00 41.41 H new ATOM 0 HG2 LYS A 38 -0.854 11.535 -7.033 1.00 54.44 H new ATOM 0 HG3 LYS A 38 0.598 11.522 -6.053 1.00 54.44 H new ATOM 0 HD2 LYS A 38 -0.793 13.931 -7.277 1.00 34.23 H new ATOM 0 HD3 LYS A 38 -0.565 13.580 -5.575 1.00 34.23 H new ATOM 0 HE2 LYS A 38 1.862 13.895 -5.789 1.00 43.44 H new ATOM 0 HE3 LYS A 38 1.715 14.111 -7.522 1.00 43.44 H new ATOM 0 HZ1 LYS A 38 1.897 16.224 -6.388 1.00 2.44 H new ATOM 0 HZ2 LYS A 38 0.377 16.095 -7.133 1.00 2.44 H new ATOM 0 HZ3 LYS A 38 0.520 15.886 -5.454 1.00 2.44 H new ATOM 614 N SER A 39 2.498 10.225 -10.449 1.00 23.24 N ATOM 615 CA SER A 39 3.284 10.368 -11.660 1.00 2.34 C ATOM 616 C SER A 39 2.974 9.253 -12.660 1.00 0.34 C ATOM 617 O SER A 39 2.784 9.511 -13.850 1.00 43.22 O ATOM 618 CB SER A 39 4.775 10.377 -11.313 1.00 41.52 C ATOM 619 OG SER A 39 5.562 10.702 -12.445 1.00 12.04 O ATOM 0 H SER A 39 2.957 9.695 -9.708 1.00 23.24 H new ATOM 0 HA SER A 39 3.019 11.315 -12.130 1.00 2.34 H new ATOM 0 HB2 SER A 39 4.962 11.099 -10.518 1.00 41.52 H new ATOM 0 HB3 SER A 39 5.068 9.399 -10.931 1.00 41.52 H new ATOM 0 HG SER A 39 6.510 10.702 -12.195 1.00 12.04 H new ATOM 625 N ALA A 40 2.915 8.018 -12.176 1.00 72.50 N ATOM 626 CA ALA A 40 2.735 6.864 -13.051 1.00 24.12 C ATOM 627 C ALA A 40 1.275 6.434 -13.150 1.00 73.12 C ATOM 628 O ALA A 40 0.852 5.891 -14.172 1.00 35.41 O ATOM 629 CB ALA A 40 3.587 5.703 -12.559 1.00 74.20 C ATOM 0 H ALA A 40 2.989 7.789 -11.185 1.00 72.50 H new ATOM 0 HA ALA A 40 3.054 7.160 -14.050 1.00 24.12 H new ATOM 0 HB1 ALA A 40 3.448 4.845 -13.217 1.00 74.20 H new ATOM 0 HB2 ALA A 40 4.637 5.996 -12.562 1.00 74.20 H new ATOM 0 HB3 ALA A 40 3.287 5.436 -11.546 1.00 74.20 H new ATOM 635 N ASN A 41 0.510 6.705 -12.097 1.00 22.11 N ATOM 636 CA ASN A 41 -0.850 6.181 -11.956 1.00 4.11 C ATOM 637 C ASN A 41 -0.830 4.664 -12.038 1.00 65.41 C ATOM 638 O ASN A 41 -1.335 4.069 -12.993 1.00 32.42 O ATOM 639 CB ASN A 41 -1.810 6.753 -13.008 1.00 73.20 C ATOM 640 CG ASN A 41 -2.204 8.200 -12.757 1.00 61.25 C ATOM 641 OD1 ASN A 41 -2.272 8.601 -11.495 1.00 23.14 O flip ATOM 642 ND2 ASN A 41 -2.460 8.950 -13.699 1.00 32.23 N flip ATOM 0 H ASN A 41 0.811 7.291 -11.319 1.00 22.11 H new ATOM 0 HA ASN A 41 -1.220 6.494 -10.980 1.00 4.11 H new ATOM 0 HB2 ASN A 41 -1.344 6.678 -13.990 1.00 73.20 H new ATOM 0 HB3 ASN A 41 -2.711 6.140 -13.035 1.00 73.20 H new ATOM 0 HD21 ASN A 41 -2.397 8.605 -14.657 1.00 32.23 H new ATOM 0 HD22 ASN A 41 -2.735 9.916 -13.522 1.00 32.23 H new ATOM 649 N LEU A 42 -0.212 4.047 -11.044 1.00 43.33 N ATOM 650 CA LEU A 42 -0.094 2.602 -10.997 1.00 45.34 C ATOM 651 C LEU A 42 -1.385 2.004 -10.478 1.00 31.00 C ATOM 652 O LEU A 42 -1.832 0.951 -10.936 1.00 12.11 O ATOM 653 CB LEU A 42 1.073 2.190 -10.098 1.00 52.30 C ATOM 654 CG LEU A 42 2.445 2.692 -10.538 1.00 21.21 C ATOM 655 CD1 LEU A 42 3.508 2.248 -9.550 1.00 71.44 C ATOM 656 CD2 LEU A 42 2.773 2.189 -11.933 1.00 43.02 C ATOM 0 H LEU A 42 0.218 4.530 -10.255 1.00 43.33 H new ATOM 0 HA LEU A 42 0.098 2.230 -12.003 1.00 45.34 H new ATOM 0 HB2 LEU A 42 0.878 2.553 -9.089 1.00 52.30 H new ATOM 0 HB3 LEU A 42 1.103 1.102 -10.045 1.00 52.30 H new ATOM 0 HG LEU A 42 2.425 3.782 -10.562 1.00 21.21 H new ATOM 0 HD11 LEU A 42 4.482 2.613 -9.875 1.00 71.44 H new ATOM 0 HD12 LEU A 42 3.280 2.653 -8.564 1.00 71.44 H new ATOM 0 HD13 LEU A 42 3.526 1.159 -9.500 1.00 71.44 H new ATOM 0 HD21 LEU A 42 3.755 2.557 -12.231 1.00 43.02 H new ATOM 0 HD22 LEU A 42 2.778 1.099 -11.935 1.00 43.02 H new ATOM 0 HD23 LEU A 42 2.022 2.550 -12.636 1.00 43.02 H new ATOM 668 N PHE A 43 -1.984 2.701 -9.529 1.00 71.14 N ATOM 669 CA PHE A 43 -3.230 2.277 -8.935 1.00 20.25 C ATOM 670 C PHE A 43 -4.314 3.286 -9.265 1.00 64.01 C ATOM 671 O PHE A 43 -4.311 4.399 -8.742 1.00 11.22 O ATOM 672 CB PHE A 43 -3.079 2.146 -7.417 1.00 71.21 C ATOM 673 CG PHE A 43 -1.882 1.340 -7.002 1.00 4.33 C ATOM 674 CD1 PHE A 43 -1.880 -0.039 -7.131 1.00 45.42 C ATOM 675 CD2 PHE A 43 -0.757 1.963 -6.485 1.00 11.21 C ATOM 676 CE1 PHE A 43 -0.777 -0.780 -6.756 1.00 52.35 C ATOM 677 CE2 PHE A 43 0.347 1.225 -6.108 1.00 72.33 C ATOM 678 CZ PHE A 43 0.338 -0.148 -6.242 1.00 61.54 C ATOM 0 H PHE A 43 -1.618 3.575 -9.152 1.00 71.14 H new ATOM 0 HA PHE A 43 -3.506 1.303 -9.339 1.00 20.25 H new ATOM 0 HB2 PHE A 43 -3.006 3.142 -6.980 1.00 71.21 H new ATOM 0 HB3 PHE A 43 -3.978 1.684 -7.009 1.00 71.21 H new ATOM 0 HD1 PHE A 43 -2.750 -0.540 -7.529 1.00 45.42 H new ATOM 0 HD2 PHE A 43 -0.744 3.037 -6.376 1.00 11.21 H new ATOM 0 HE1 PHE A 43 -0.786 -1.854 -6.865 1.00 52.35 H new ATOM 0 HE2 PHE A 43 1.218 1.723 -5.708 1.00 72.33 H new ATOM 0 HZ PHE A 43 1.200 -0.727 -5.946 1.00 61.54 H new ATOM 688 N GLU A 44 -5.228 2.906 -10.151 1.00 52.45 N ATOM 689 CA GLU A 44 -6.325 3.786 -10.536 1.00 61.31 C ATOM 690 C GLU A 44 -7.133 4.182 -9.300 1.00 13.22 C ATOM 691 O GLU A 44 -7.706 5.270 -9.234 1.00 12.24 O ATOM 692 CB GLU A 44 -7.211 3.106 -11.582 1.00 40.14 C ATOM 693 CG GLU A 44 -8.368 3.969 -12.053 1.00 35.04 C ATOM 694 CD GLU A 44 -8.940 3.508 -13.375 1.00 22.41 C ATOM 695 OE1 GLU A 44 -9.331 2.328 -13.482 1.00 33.53 O ATOM 696 OE2 GLU A 44 -9.001 4.331 -14.312 1.00 21.44 O ATOM 0 H GLU A 44 -5.231 1.998 -10.615 1.00 52.45 H new ATOM 0 HA GLU A 44 -5.917 4.693 -10.983 1.00 61.31 H new ATOM 0 HB2 GLU A 44 -6.599 2.833 -12.442 1.00 40.14 H new ATOM 0 HB3 GLU A 44 -7.606 2.180 -11.165 1.00 40.14 H new ATOM 0 HG2 GLU A 44 -9.154 3.959 -11.298 1.00 35.04 H new ATOM 0 HG3 GLU A 44 -8.031 5.001 -12.148 1.00 35.04 H new ATOM 703 N ALA A 45 -7.158 3.291 -8.323 1.00 21.34 N ATOM 704 CA ALA A 45 -7.701 3.604 -7.019 1.00 24.01 C ATOM 705 C ALA A 45 -6.724 3.150 -5.943 1.00 14.52 C ATOM 706 O ALA A 45 -6.841 2.043 -5.413 1.00 73.52 O ATOM 707 CB ALA A 45 -9.064 2.954 -6.828 1.00 0.42 C ATOM 0 H ALA A 45 -6.805 2.338 -8.413 1.00 21.34 H new ATOM 0 HA ALA A 45 -7.840 4.682 -6.940 1.00 24.01 H new ATOM 0 HB1 ALA A 45 -9.451 3.204 -5.840 1.00 0.42 H new ATOM 0 HB2 ALA A 45 -9.752 3.320 -7.591 1.00 0.42 H new ATOM 0 HB3 ALA A 45 -8.967 1.872 -6.916 1.00 0.42 H new ATOM 713 N LEU A 46 -5.738 3.997 -5.651 1.00 24.22 N ATOM 714 CA LEU A 46 -4.720 3.683 -4.652 1.00 54.50 C ATOM 715 C LEU A 46 -5.393 3.400 -3.315 1.00 75.33 C ATOM 716 O LEU A 46 -5.099 2.403 -2.654 1.00 63.31 O ATOM 717 CB LEU A 46 -3.727 4.852 -4.524 1.00 24.03 C ATOM 718 CG LEU A 46 -2.310 4.499 -4.040 1.00 53.01 C ATOM 719 CD1 LEU A 46 -1.426 5.734 -4.071 1.00 52.32 C ATOM 720 CD2 LEU A 46 -2.320 3.908 -2.637 1.00 73.30 C ATOM 0 H LEU A 46 -5.623 4.909 -6.094 1.00 24.22 H new ATOM 0 HA LEU A 46 -4.166 2.797 -4.963 1.00 54.50 H new ATOM 0 HB2 LEU A 46 -3.644 5.337 -5.496 1.00 24.03 H new ATOM 0 HB3 LEU A 46 -4.150 5.585 -3.837 1.00 24.03 H new ATOM 0 HG LEU A 46 -1.911 3.744 -4.717 1.00 53.01 H new ATOM 0 HD11 LEU A 46 -0.425 5.474 -3.727 1.00 52.32 H new ATOM 0 HD12 LEU A 46 -1.371 6.117 -5.090 1.00 52.32 H new ATOM 0 HD13 LEU A 46 -1.847 6.499 -3.418 1.00 52.32 H new ATOM 0 HD21 LEU A 46 -1.300 3.673 -2.334 1.00 73.30 H new ATOM 0 HD22 LEU A 46 -2.748 4.630 -1.941 1.00 73.30 H new ATOM 0 HD23 LEU A 46 -2.919 2.998 -2.630 1.00 73.30 H new ATOM 732 N VAL A 47 -6.322 4.273 -2.947 1.00 23.33 N ATOM 733 CA VAL A 47 -7.091 4.117 -1.721 1.00 22.33 C ATOM 734 C VAL A 47 -7.799 2.765 -1.706 1.00 45.23 C ATOM 735 O VAL A 47 -7.683 2.013 -0.745 1.00 11.25 O ATOM 736 CB VAL A 47 -8.135 5.245 -1.568 1.00 20.11 C ATOM 737 CG1 VAL A 47 -8.879 5.124 -0.246 1.00 21.40 C ATOM 738 CG2 VAL A 47 -7.474 6.610 -1.696 1.00 72.14 C ATOM 0 H VAL A 47 -6.562 5.104 -3.487 1.00 23.33 H new ATOM 0 HA VAL A 47 -6.394 4.172 -0.885 1.00 22.33 H new ATOM 0 HB VAL A 47 -8.864 5.143 -2.372 1.00 20.11 H new ATOM 0 HG11 VAL A 47 -9.608 5.930 -0.164 1.00 21.40 H new ATOM 0 HG12 VAL A 47 -9.394 4.164 -0.205 1.00 21.40 H new ATOM 0 HG13 VAL A 47 -8.169 5.191 0.578 1.00 21.40 H new ATOM 0 HG21 VAL A 47 -8.227 7.391 -1.585 1.00 72.14 H new ATOM 0 HG22 VAL A 47 -6.718 6.722 -0.919 1.00 72.14 H new ATOM 0 HG23 VAL A 47 -7.004 6.696 -2.675 1.00 72.14 H new ATOM 748 N GLY A 48 -8.503 2.457 -2.792 1.00 14.41 N ATOM 749 CA GLY A 48 -9.222 1.198 -2.887 1.00 40.04 C ATOM 750 C GLY A 48 -8.306 -0.004 -2.767 1.00 3.11 C ATOM 751 O GLY A 48 -8.660 -1.005 -2.148 1.00 71.11 O ATOM 0 H GLY A 48 -8.588 3.059 -3.611 1.00 14.41 H new ATOM 0 HA2 GLY A 48 -9.978 1.155 -2.103 1.00 40.04 H new ATOM 0 HA3 GLY A 48 -9.749 1.155 -3.840 1.00 40.04 H new ATOM 755 N THR A 49 -7.121 0.106 -3.352 1.00 11.30 N ATOM 756 CA THR A 49 -6.131 -0.959 -3.286 1.00 32.44 C ATOM 757 C THR A 49 -5.658 -1.161 -1.845 1.00 21.02 C ATOM 758 O THR A 49 -5.459 -2.292 -1.392 1.00 22.33 O ATOM 759 CB THR A 49 -4.927 -0.645 -4.197 1.00 14.24 C ATOM 760 OG1 THR A 49 -5.393 -0.266 -5.501 1.00 63.22 O ATOM 761 CG2 THR A 49 -4.003 -1.848 -4.322 1.00 4.40 C ATOM 0 H THR A 49 -6.822 0.926 -3.880 1.00 11.30 H new ATOM 0 HA THR A 49 -6.600 -1.879 -3.636 1.00 32.44 H new ATOM 0 HB THR A 49 -4.367 0.175 -3.748 1.00 14.24 H new ATOM 0 HG1 THR A 49 -5.784 0.632 -5.460 1.00 63.22 H new ATOM 0 HG21 THR A 49 -3.164 -1.596 -4.970 1.00 4.40 H new ATOM 0 HG22 THR A 49 -3.630 -2.124 -3.336 1.00 4.40 H new ATOM 0 HG23 THR A 49 -4.553 -2.686 -4.750 1.00 4.40 H new ATOM 769 N LEU A 50 -5.503 -0.052 -1.123 1.00 41.21 N ATOM 770 CA LEU A 50 -5.131 -0.097 0.288 1.00 12.14 C ATOM 771 C LEU A 50 -6.221 -0.778 1.107 1.00 21.41 C ATOM 772 O LEU A 50 -5.937 -1.642 1.937 1.00 15.41 O ATOM 773 CB LEU A 50 -4.890 1.315 0.828 1.00 34.25 C ATOM 774 CG LEU A 50 -3.653 2.028 0.282 1.00 13.21 C ATOM 775 CD1 LEU A 50 -3.537 3.419 0.887 1.00 72.42 C ATOM 776 CD2 LEU A 50 -2.397 1.215 0.563 1.00 64.35 C ATOM 0 H LEU A 50 -5.630 0.890 -1.494 1.00 41.21 H new ATOM 0 HA LEU A 50 -4.209 -0.672 0.375 1.00 12.14 H new ATOM 0 HB2 LEU A 50 -5.766 1.924 0.606 1.00 34.25 H new ATOM 0 HB3 LEU A 50 -4.807 1.260 1.913 1.00 34.25 H new ATOM 0 HG LEU A 50 -3.759 2.127 -0.798 1.00 13.21 H new ATOM 0 HD11 LEU A 50 -2.652 3.916 0.490 1.00 72.42 H new ATOM 0 HD12 LEU A 50 -4.424 4.001 0.635 1.00 72.42 H new ATOM 0 HD13 LEU A 50 -3.452 3.339 1.971 1.00 72.42 H new ATOM 0 HD21 LEU A 50 -1.528 1.740 0.166 1.00 64.35 H new ATOM 0 HD22 LEU A 50 -2.282 1.083 1.639 1.00 64.35 H new ATOM 0 HD23 LEU A 50 -2.481 0.239 0.085 1.00 64.35 H new ATOM 788 N LYS A 51 -7.470 -0.389 0.864 1.00 63.43 N ATOM 789 CA LYS A 51 -8.608 -0.962 1.573 1.00 52.10 C ATOM 790 C LYS A 51 -8.672 -2.467 1.330 1.00 44.31 C ATOM 791 O LYS A 51 -8.894 -3.245 2.257 1.00 1.10 O ATOM 792 CB LYS A 51 -9.920 -0.313 1.111 1.00 32.34 C ATOM 793 CG LYS A 51 -9.873 1.205 1.053 1.00 32.11 C ATOM 794 CD LYS A 51 -9.764 1.843 2.428 1.00 34.31 C ATOM 795 CE LYS A 51 -11.098 1.843 3.152 1.00 24.23 C ATOM 796 NZ LYS A 51 -11.049 2.660 4.391 1.00 24.42 N ATOM 0 H LYS A 51 -7.719 0.324 0.178 1.00 63.43 H new ATOM 0 HA LYS A 51 -8.477 -0.770 2.638 1.00 52.10 H new ATOM 0 HB2 LYS A 51 -10.174 -0.696 0.123 1.00 32.34 H new ATOM 0 HB3 LYS A 51 -10.720 -0.616 1.786 1.00 32.34 H new ATOM 0 HG2 LYS A 51 -9.023 1.515 0.445 1.00 32.11 H new ATOM 0 HG3 LYS A 51 -10.771 1.573 0.557 1.00 32.11 H new ATOM 0 HD2 LYS A 51 -9.027 1.303 3.023 1.00 34.31 H new ATOM 0 HD3 LYS A 51 -9.404 2.867 2.327 1.00 34.31 H new ATOM 0 HE2 LYS A 51 -11.872 2.232 2.490 1.00 24.23 H new ATOM 0 HE3 LYS A 51 -11.377 0.819 3.402 1.00 24.23 H new ATOM 0 HZ1 LYS A 51 -12.004 2.735 4.796 1.00 24.42 H new ATOM 0 HZ2 LYS A 51 -10.415 2.207 5.080 1.00 24.42 H new ATOM 0 HZ3 LYS A 51 -10.693 3.611 4.166 1.00 24.42 H new ATOM 810 N ALA A 52 -8.463 -2.862 0.076 1.00 62.32 N ATOM 811 CA ALA A 52 -8.494 -4.269 -0.310 1.00 61.25 C ATOM 812 C ALA A 52 -7.496 -5.090 0.495 1.00 33.30 C ATOM 813 O ALA A 52 -7.852 -6.090 1.119 1.00 12.44 O ATOM 814 CB ALA A 52 -8.195 -4.415 -1.792 1.00 24.22 C ATOM 0 H ALA A 52 -8.269 -2.222 -0.694 1.00 62.32 H new ATOM 0 HA ALA A 52 -9.495 -4.646 -0.101 1.00 61.25 H new ATOM 0 HB1 ALA A 52 -8.221 -5.470 -2.066 1.00 24.22 H new ATOM 0 HB2 ALA A 52 -8.943 -3.871 -2.369 1.00 24.22 H new ATOM 0 HB3 ALA A 52 -7.206 -4.009 -2.005 1.00 24.22 H new ATOM 820 N ALA A 53 -6.249 -4.650 0.487 1.00 72.12 N ATOM 821 CA ALA A 53 -5.185 -5.360 1.177 1.00 71.52 C ATOM 822 C ALA A 53 -5.361 -5.282 2.686 1.00 1.23 C ATOM 823 O ALA A 53 -5.060 -6.235 3.393 1.00 50.04 O ATOM 824 CB ALA A 53 -3.835 -4.804 0.764 1.00 63.55 C ATOM 0 H ALA A 53 -5.948 -3.801 0.008 1.00 72.12 H new ATOM 0 HA ALA A 53 -5.234 -6.411 0.893 1.00 71.52 H new ATOM 0 HB1 ALA A 53 -3.044 -5.343 1.286 1.00 63.55 H new ATOM 0 HB2 ALA A 53 -3.706 -4.924 -0.312 1.00 63.55 H new ATOM 0 HB3 ALA A 53 -3.784 -3.746 1.020 1.00 63.55 H new ATOM 830 N LYS A 54 -5.854 -4.156 3.179 1.00 51.54 N ATOM 831 CA LYS A 54 -6.084 -3.990 4.611 1.00 10.21 C ATOM 832 C LYS A 54 -7.123 -4.998 5.104 1.00 23.35 C ATOM 833 O LYS A 54 -6.952 -5.632 6.146 1.00 11.44 O ATOM 834 CB LYS A 54 -6.542 -2.558 4.916 1.00 41.30 C ATOM 835 CG LYS A 54 -6.706 -2.261 6.400 1.00 44.32 C ATOM 836 CD LYS A 54 -7.147 -0.823 6.634 1.00 60.13 C ATOM 837 CE LYS A 54 -7.368 -0.538 8.112 1.00 70.14 C ATOM 838 NZ LYS A 54 -7.855 0.848 8.352 1.00 44.42 N ATOM 0 H LYS A 54 -6.103 -3.345 2.613 1.00 51.54 H new ATOM 0 HA LYS A 54 -5.147 -4.173 5.136 1.00 10.21 H new ATOM 0 HB2 LYS A 54 -5.820 -1.859 4.494 1.00 41.30 H new ATOM 0 HB3 LYS A 54 -7.492 -2.377 4.413 1.00 41.30 H new ATOM 0 HG2 LYS A 54 -7.440 -2.943 6.830 1.00 44.32 H new ATOM 0 HG3 LYS A 54 -5.763 -2.442 6.915 1.00 44.32 H new ATOM 0 HD2 LYS A 54 -6.392 -0.142 6.240 1.00 60.13 H new ATOM 0 HD3 LYS A 54 -8.068 -0.630 6.084 1.00 60.13 H new ATOM 0 HE2 LYS A 54 -8.090 -1.249 8.513 1.00 70.14 H new ATOM 0 HE3 LYS A 54 -6.434 -0.692 8.653 1.00 70.14 H new ATOM 0 HZ1 LYS A 54 -7.085 1.423 8.749 1.00 44.42 H new ATOM 0 HZ2 LYS A 54 -8.171 1.265 7.453 1.00 44.42 H new ATOM 0 HZ3 LYS A 54 -8.650 0.825 9.022 1.00 44.42 H new ATOM 852 N ARG A 55 -8.189 -5.165 4.330 1.00 12.13 N ATOM 853 CA ARG A 55 -9.258 -6.083 4.698 1.00 34.11 C ATOM 854 C ARG A 55 -8.824 -7.534 4.511 1.00 13.22 C ATOM 855 O ARG A 55 -9.318 -8.432 5.195 1.00 53.24 O ATOM 856 CB ARG A 55 -10.510 -5.797 3.883 1.00 3.24 C ATOM 857 CG ARG A 55 -11.007 -4.376 4.055 1.00 25.45 C ATOM 858 CD ARG A 55 -12.311 -4.152 3.331 1.00 74.42 C ATOM 859 NE ARG A 55 -13.463 -4.554 4.134 1.00 75.42 N ATOM 860 CZ ARG A 55 -14.727 -4.283 3.811 1.00 60.41 C ATOM 861 NH1 ARG A 55 -15.011 -3.714 2.644 1.00 14.24 N ATOM 862 NH2 ARG A 55 -15.707 -4.596 4.646 1.00 31.33 N ATOM 0 H ARG A 55 -8.335 -4.678 3.446 1.00 12.13 H new ATOM 0 HA ARG A 55 -9.484 -5.930 5.753 1.00 34.11 H new ATOM 0 HB2 ARG A 55 -10.302 -5.980 2.829 1.00 3.24 H new ATOM 0 HB3 ARG A 55 -11.297 -6.491 4.178 1.00 3.24 H new ATOM 0 HG2 ARG A 55 -11.138 -4.162 5.116 1.00 25.45 H new ATOM 0 HG3 ARG A 55 -10.257 -3.680 3.679 1.00 25.45 H new ATOM 0 HD2 ARG A 55 -12.403 -3.098 3.069 1.00 74.42 H new ATOM 0 HD3 ARG A 55 -12.307 -4.714 2.397 1.00 74.42 H new ATOM 0 HE ARG A 55 -13.289 -5.074 4.994 1.00 75.42 H new ATOM 0 HH11 ARG A 55 -14.260 -3.484 1.993 1.00 14.24 H new ATOM 0 HH12 ARG A 55 -15.980 -3.508 2.399 1.00 14.24 H new ATOM 0 HH21 ARG A 55 -15.494 -5.045 5.537 1.00 31.33 H new ATOM 0 HH22 ARG A 55 -16.674 -4.388 4.398 1.00 31.33 H new ATOM 876 N ARG A 56 -7.891 -7.754 3.586 1.00 43.01 N ATOM 877 CA ARG A 56 -7.362 -9.078 3.321 1.00 13.22 C ATOM 878 C ARG A 56 -6.132 -9.355 4.193 1.00 22.42 C ATOM 879 O ARG A 56 -5.382 -10.300 3.945 1.00 55.20 O ATOM 880 CB ARG A 56 -6.995 -9.194 1.844 1.00 11.02 C ATOM 881 CG ARG A 56 -6.980 -10.623 1.360 1.00 11.32 C ATOM 882 CD ARG A 56 -6.401 -10.742 -0.040 1.00 15.11 C ATOM 883 NE ARG A 56 -6.503 -12.104 -0.563 1.00 75.42 N ATOM 884 CZ ARG A 56 -5.642 -12.643 -1.426 1.00 72.12 C ATOM 885 NH1 ARG A 56 -4.594 -11.947 -1.851 1.00 64.00 N ATOM 886 NH2 ARG A 56 -5.829 -13.885 -1.856 1.00 2.21 N ATOM 0 H ARG A 56 -7.486 -7.019 3.005 1.00 43.01 H new ATOM 0 HA ARG A 56 -8.125 -9.817 3.564 1.00 13.22 H new ATOM 0 HB2 ARG A 56 -7.707 -8.621 1.250 1.00 11.02 H new ATOM 0 HB3 ARG A 56 -6.013 -8.749 1.681 1.00 11.02 H new ATOM 0 HG2 ARG A 56 -6.394 -11.233 2.048 1.00 11.32 H new ATOM 0 HG3 ARG A 56 -7.995 -11.019 1.368 1.00 11.32 H new ATOM 0 HD2 ARG A 56 -6.924 -10.058 -0.708 1.00 15.11 H new ATOM 0 HD3 ARG A 56 -5.355 -10.437 -0.026 1.00 15.11 H new ATOM 0 HE ARG A 56 -7.284 -12.679 -0.247 1.00 75.42 H new ATOM 0 HH11 ARG A 56 -4.445 -10.995 -1.517 1.00 64.00 H new ATOM 0 HH12 ARG A 56 -3.938 -12.365 -2.511 1.00 64.00 H new ATOM 0 HH21 ARG A 56 -6.630 -14.424 -1.526 1.00 2.21 H new ATOM 0 HH22 ARG A 56 -5.172 -14.300 -2.516 1.00 2.21 H new ATOM 900 N LYS A 57 -5.948 -8.519 5.223 1.00 73.02 N ATOM 901 CA LYS A 57 -4.821 -8.613 6.170 1.00 64.51 C ATOM 902 C LYS A 57 -3.468 -8.674 5.448 1.00 71.52 C ATOM 903 O LYS A 57 -2.493 -9.199 5.982 1.00 71.24 O ATOM 904 CB LYS A 57 -4.941 -9.815 7.135 1.00 50.22 C ATOM 905 CG LYS A 57 -6.178 -10.696 6.975 1.00 74.15 C ATOM 906 CD LYS A 57 -7.450 -10.028 7.475 1.00 33.42 C ATOM 907 CE LYS A 57 -8.637 -10.967 7.339 1.00 2.33 C ATOM 908 NZ LYS A 57 -9.921 -10.319 7.706 1.00 61.54 N ATOM 0 H LYS A 57 -6.583 -7.748 5.428 1.00 73.02 H new ATOM 0 HA LYS A 57 -4.869 -7.699 6.762 1.00 64.51 H new ATOM 0 HB2 LYS A 57 -4.058 -10.441 7.011 1.00 50.22 H new ATOM 0 HB3 LYS A 57 -4.922 -9.436 8.157 1.00 50.22 H new ATOM 0 HG2 LYS A 57 -6.299 -10.955 5.923 1.00 74.15 H new ATOM 0 HG3 LYS A 57 -6.026 -11.629 7.518 1.00 74.15 H new ATOM 0 HD2 LYS A 57 -7.328 -9.736 8.518 1.00 33.42 H new ATOM 0 HD3 LYS A 57 -7.635 -9.115 6.908 1.00 33.42 H new ATOM 0 HE2 LYS A 57 -8.696 -11.326 6.312 1.00 2.33 H new ATOM 0 HE3 LYS A 57 -8.480 -11.840 7.973 1.00 2.33 H new ATOM 0 HZ1 LYS A 57 -10.686 -11.023 7.678 1.00 61.54 H new ATOM 0 HZ2 LYS A 57 -9.849 -9.924 8.665 1.00 61.54 H new ATOM 0 HZ3 LYS A 57 -10.129 -9.555 7.032 1.00 61.54 H new ATOM 922 N ILE A 58 -3.415 -8.131 4.240 1.00 74.15 N ATOM 923 CA ILE A 58 -2.173 -8.062 3.481 1.00 53.33 C ATOM 924 C ILE A 58 -1.309 -6.948 4.038 1.00 45.13 C ATOM 925 O ILE A 58 -0.106 -7.102 4.220 1.00 21.11 O ATOM 926 CB ILE A 58 -2.421 -7.789 1.979 1.00 5.50 C ATOM 927 CG1 ILE A 58 -3.403 -8.806 1.393 1.00 4.50 C ATOM 928 CG2 ILE A 58 -1.106 -7.806 1.207 1.00 44.41 C ATOM 929 CD1 ILE A 58 -2.926 -10.237 1.471 1.00 70.44 C ATOM 0 H ILE A 58 -4.222 -7.730 3.762 1.00 74.15 H new ATOM 0 HA ILE A 58 -1.678 -9.029 3.574 1.00 53.33 H new ATOM 0 HB ILE A 58 -2.864 -6.798 1.884 1.00 5.50 H new ATOM 0 HG12 ILE A 58 -4.354 -8.722 1.919 1.00 4.50 H new ATOM 0 HG13 ILE A 58 -3.592 -8.553 0.350 1.00 4.50 H new ATOM 0 HG21 ILE A 58 -1.301 -7.612 0.152 1.00 44.41 H new ATOM 0 HG22 ILE A 58 -0.443 -7.036 1.601 1.00 44.41 H new ATOM 0 HG23 ILE A 58 -0.633 -8.782 1.315 1.00 44.41 H new ATOM 0 HD11 ILE A 58 -3.678 -10.895 1.035 1.00 70.44 H new ATOM 0 HD12 ILE A 58 -1.991 -10.339 0.920 1.00 70.44 H new ATOM 0 HD13 ILE A 58 -2.765 -10.510 2.514 1.00 70.44 H new ATOM 941 N VAL A 59 -1.953 -5.830 4.322 1.00 43.03 N ATOM 942 CA VAL A 59 -1.284 -4.659 4.873 1.00 24.10 C ATOM 943 C VAL A 59 -2.137 -4.051 5.974 1.00 23.20 C ATOM 944 O VAL A 59 -3.291 -4.438 6.160 1.00 1.05 O ATOM 945 CB VAL A 59 -1.025 -3.570 3.806 1.00 43.03 C ATOM 946 CG1 VAL A 59 -0.176 -4.104 2.666 1.00 35.30 C ATOM 947 CG2 VAL A 59 -2.336 -3.015 3.272 1.00 2.21 C ATOM 0 H VAL A 59 -2.955 -5.706 4.178 1.00 43.03 H new ATOM 0 HA VAL A 59 -0.323 -4.998 5.260 1.00 24.10 H new ATOM 0 HB VAL A 59 -0.475 -2.762 4.288 1.00 43.03 H new ATOM 0 HG11 VAL A 59 -0.012 -3.314 1.933 1.00 35.30 H new ATOM 0 HG12 VAL A 59 0.784 -4.443 3.055 1.00 35.30 H new ATOM 0 HG13 VAL A 59 -0.690 -4.939 2.190 1.00 35.30 H new ATOM 0 HG21 VAL A 59 -2.129 -2.251 2.523 1.00 2.21 H new ATOM 0 HG22 VAL A 59 -2.914 -3.820 2.819 1.00 2.21 H new ATOM 0 HG23 VAL A 59 -2.906 -2.576 4.091 1.00 2.21 H new ATOM 957 N THR A 60 -1.568 -3.106 6.696 1.00 54.04 N ATOM 958 CA THR A 60 -2.308 -2.361 7.694 1.00 74.03 C ATOM 959 C THR A 60 -1.749 -0.948 7.808 1.00 72.33 C ATOM 960 O THR A 60 -0.572 -0.707 7.522 1.00 50.25 O ATOM 961 CB THR A 60 -2.264 -3.048 9.078 1.00 5.12 C ATOM 962 OG1 THR A 60 -3.253 -2.474 9.945 1.00 73.33 O ATOM 963 CG2 THR A 60 -0.885 -2.914 9.716 1.00 62.13 C ATOM 0 H THR A 60 -0.589 -2.835 6.609 1.00 54.04 H new ATOM 0 HA THR A 60 -3.348 -2.325 7.371 1.00 74.03 H new ATOM 0 HB THR A 60 -2.476 -4.107 8.934 1.00 5.12 H new ATOM 0 HG1 THR A 60 -3.219 -2.917 10.819 1.00 73.33 H new ATOM 0 HG21 THR A 60 -0.885 -3.407 10.688 1.00 62.13 H new ATOM 0 HG22 THR A 60 -0.139 -3.381 9.072 1.00 62.13 H new ATOM 0 HG23 THR A 60 -0.644 -1.859 9.844 1.00 62.13 H new ATOM 971 N TYR A 61 -2.600 -0.022 8.207 1.00 62.43 N ATOM 972 CA TYR A 61 -2.200 1.354 8.408 1.00 2.14 C ATOM 973 C TYR A 61 -3.236 2.055 9.274 1.00 23.31 C ATOM 974 O TYR A 61 -4.441 1.856 9.089 1.00 34.34 O ATOM 975 CB TYR A 61 -2.016 2.083 7.064 1.00 44.13 C ATOM 976 CG TYR A 61 -3.269 2.185 6.215 1.00 1.43 C ATOM 977 CD1 TYR A 61 -3.774 1.080 5.539 1.00 62.03 C ATOM 978 CD2 TYR A 61 -3.942 3.395 6.084 1.00 45.22 C ATOM 979 CE1 TYR A 61 -4.911 1.178 4.758 1.00 3.51 C ATOM 980 CE2 TYR A 61 -5.079 3.500 5.306 1.00 1.42 C ATOM 981 CZ TYR A 61 -5.562 2.389 4.649 1.00 33.54 C ATOM 982 OH TYR A 61 -6.692 2.495 3.873 1.00 31.32 O ATOM 0 H TYR A 61 -3.585 -0.204 8.400 1.00 62.43 H new ATOM 0 HA TYR A 61 -1.236 1.373 8.917 1.00 2.14 H new ATOM 0 HB2 TYR A 61 -1.645 3.089 7.261 1.00 44.13 H new ATOM 0 HB3 TYR A 61 -1.247 1.567 6.490 1.00 44.13 H new ATOM 0 HD1 TYR A 61 -3.270 0.129 5.625 1.00 62.03 H new ATOM 0 HD2 TYR A 61 -3.569 4.268 6.599 1.00 45.22 H new ATOM 0 HE1 TYR A 61 -5.287 0.311 4.236 1.00 3.51 H new ATOM 0 HE2 TYR A 61 -5.587 4.449 5.213 1.00 1.42 H new ATOM 0 HH TYR A 61 -7.026 3.416 3.906 1.00 31.32 H new ATOM 992 N PRO A 62 -2.781 2.838 10.258 1.00 35.54 N ATOM 993 CA PRO A 62 -3.669 3.587 11.149 1.00 51.41 C ATOM 994 C PRO A 62 -4.543 4.570 10.381 1.00 23.33 C ATOM 995 O PRO A 62 -4.087 5.213 9.429 1.00 11.31 O ATOM 996 CB PRO A 62 -2.709 4.333 12.080 1.00 72.12 C ATOM 997 CG PRO A 62 -1.421 3.591 11.985 1.00 41.22 C ATOM 998 CD PRO A 62 -1.364 3.045 10.589 1.00 53.31 C ATOM 0 HA PRO A 62 -4.362 2.934 11.680 1.00 51.41 H new ATOM 0 HB2 PRO A 62 -2.589 5.372 11.772 1.00 72.12 H new ATOM 0 HB3 PRO A 62 -3.082 4.345 13.104 1.00 72.12 H new ATOM 0 HG2 PRO A 62 -0.575 4.250 12.182 1.00 41.22 H new ATOM 0 HG3 PRO A 62 -1.377 2.788 12.721 1.00 41.22 H new ATOM 0 HD2 PRO A 62 -0.887 3.743 9.902 1.00 53.31 H new ATOM 0 HD3 PRO A 62 -0.798 2.114 10.542 1.00 53.31 H new ATOM 1006 N GLY A 63 -5.796 4.679 10.794 1.00 71.45 N ATOM 1007 CA GLY A 63 -6.731 5.539 10.107 1.00 24.54 C ATOM 1008 C GLY A 63 -7.531 4.786 9.066 1.00 43.00 C ATOM 1009 O GLY A 63 -7.252 3.618 8.782 1.00 73.10 O ATOM 0 H GLY A 63 -6.182 4.183 11.598 1.00 71.45 H new ATOM 0 HA2 GLY A 63 -7.410 5.989 10.831 1.00 24.54 H new ATOM 0 HA3 GLY A 63 -6.189 6.355 9.628 1.00 24.54 H new ATOM 1013 N GLU A 64 -8.522 5.448 8.490 1.00 12.30 N ATOM 1014 CA GLU A 64 -9.379 4.812 7.504 1.00 52.31 C ATOM 1015 C GLU A 64 -9.533 5.711 6.278 1.00 70.11 C ATOM 1016 O GLU A 64 -9.746 5.232 5.160 1.00 13.12 O ATOM 1017 CB GLU A 64 -10.743 4.498 8.126 1.00 23.20 C ATOM 1018 CG GLU A 64 -11.440 3.311 7.487 1.00 72.11 C ATOM 1019 CD GLU A 64 -10.604 2.048 7.558 1.00 54.35 C ATOM 1020 OE1 GLU A 64 -10.627 1.371 8.602 1.00 34.13 O ATOM 1021 OE2 GLU A 64 -9.911 1.728 6.568 1.00 12.11 O ATOM 0 H GLU A 64 -8.752 6.422 8.688 1.00 12.30 H new ATOM 0 HA GLU A 64 -8.922 3.876 7.182 1.00 52.31 H new ATOM 0 HB2 GLU A 64 -10.612 4.303 9.190 1.00 23.20 H new ATOM 0 HB3 GLU A 64 -11.384 5.375 8.039 1.00 23.20 H new ATOM 0 HG2 GLU A 64 -12.394 3.141 7.985 1.00 72.11 H new ATOM 0 HG3 GLU A 64 -11.661 3.540 6.444 1.00 72.11 H new ATOM 1028 N LEU A 65 -9.419 7.015 6.499 1.00 1.44 N ATOM 1029 CA LEU A 65 -9.470 7.991 5.423 1.00 43.31 C ATOM 1030 C LEU A 65 -8.178 8.807 5.402 1.00 32.30 C ATOM 1031 O LEU A 65 -7.485 8.919 6.415 1.00 11.23 O ATOM 1032 CB LEU A 65 -10.687 8.910 5.589 1.00 41.31 C ATOM 1033 CG LEU A 65 -10.932 9.890 4.438 1.00 12.40 C ATOM 1034 CD1 LEU A 65 -11.164 9.138 3.134 1.00 32.11 C ATOM 1035 CD2 LEU A 65 -12.116 10.788 4.750 1.00 2.31 C ATOM 0 H LEU A 65 -9.289 7.422 7.425 1.00 1.44 H new ATOM 0 HA LEU A 65 -9.569 7.466 4.473 1.00 43.31 H new ATOM 0 HB2 LEU A 65 -11.575 8.290 5.711 1.00 41.31 H new ATOM 0 HB3 LEU A 65 -10.567 9.480 6.510 1.00 41.31 H new ATOM 0 HG LEU A 65 -10.045 10.513 4.322 1.00 12.40 H new ATOM 0 HD11 LEU A 65 -11.336 9.852 2.328 1.00 32.11 H new ATOM 0 HD12 LEU A 65 -10.287 8.533 2.902 1.00 32.11 H new ATOM 0 HD13 LEU A 65 -12.035 8.490 3.237 1.00 32.11 H new ATOM 0 HD21 LEU A 65 -12.277 11.479 3.922 1.00 2.31 H new ATOM 0 HD22 LEU A 65 -13.008 10.178 4.892 1.00 2.31 H new ATOM 0 HD23 LEU A 65 -11.914 11.353 5.660 1.00 2.31 H new ATOM 1047 N LEU A 66 -7.855 9.364 4.245 1.00 14.34 N ATOM 1048 CA LEU A 66 -6.602 10.085 4.062 1.00 31.12 C ATOM 1049 C LEU A 66 -6.828 11.509 3.571 1.00 14.43 C ATOM 1050 O LEU A 66 -5.920 12.337 3.649 1.00 10.15 O ATOM 1051 CB LEU A 66 -5.711 9.341 3.066 1.00 43.31 C ATOM 1052 CG LEU A 66 -6.434 8.836 1.813 1.00 52.21 C ATOM 1053 CD1 LEU A 66 -5.546 8.969 0.591 1.00 4.52 C ATOM 1054 CD2 LEU A 66 -6.862 7.387 2.001 1.00 53.21 C ATOM 0 H LEU A 66 -8.446 9.331 3.414 1.00 14.34 H new ATOM 0 HA LEU A 66 -6.114 10.138 5.035 1.00 31.12 H new ATOM 0 HB2 LEU A 66 -4.901 10.003 2.760 1.00 43.31 H new ATOM 0 HB3 LEU A 66 -5.254 8.491 3.573 1.00 43.31 H new ATOM 0 HG LEU A 66 -7.323 9.448 1.658 1.00 52.21 H new ATOM 0 HD11 LEU A 66 -6.079 8.605 -0.287 1.00 4.52 H new ATOM 0 HD12 LEU A 66 -5.281 10.016 0.446 1.00 4.52 H new ATOM 0 HD13 LEU A 66 -4.639 8.382 0.735 1.00 4.52 H new ATOM 0 HD21 LEU A 66 -7.375 7.040 1.104 1.00 53.21 H new ATOM 0 HD22 LEU A 66 -5.983 6.768 2.179 1.00 53.21 H new ATOM 0 HD23 LEU A 66 -7.536 7.314 2.855 1.00 53.21 H new ATOM 1066 N LEU A 67 -8.040 11.784 3.080 1.00 20.51 N ATOM 1067 CA LEU A 67 -8.366 13.068 2.451 1.00 43.41 C ATOM 1068 C LEU A 67 -7.504 13.280 1.207 1.00 0.24 C ATOM 1069 O LEU A 67 -7.915 12.959 0.092 1.00 22.51 O ATOM 1070 CB LEU A 67 -8.172 14.235 3.432 1.00 54.02 C ATOM 1071 CG LEU A 67 -8.981 14.147 4.728 1.00 75.43 C ATOM 1072 CD1 LEU A 67 -8.631 15.304 5.649 1.00 34.01 C ATOM 1073 CD2 LEU A 67 -10.472 14.137 4.429 1.00 11.23 C ATOM 0 H LEU A 67 -8.820 11.127 3.107 1.00 20.51 H new ATOM 0 HA LEU A 67 -9.416 13.042 2.160 1.00 43.41 H new ATOM 0 HB2 LEU A 67 -7.114 14.300 3.688 1.00 54.02 H new ATOM 0 HB3 LEU A 67 -8.434 15.162 2.923 1.00 54.02 H new ATOM 0 HG LEU A 67 -8.727 13.214 5.231 1.00 75.43 H new ATOM 0 HD11 LEU A 67 -9.214 15.228 6.567 1.00 34.01 H new ATOM 0 HD12 LEU A 67 -7.569 15.268 5.890 1.00 34.01 H new ATOM 0 HD13 LEU A 67 -8.859 16.247 5.152 1.00 34.01 H new ATOM 0 HD21 LEU A 67 -11.030 14.074 5.363 1.00 11.23 H new ATOM 0 HD22 LEU A 67 -10.744 15.053 3.905 1.00 11.23 H new ATOM 0 HD23 LEU A 67 -10.712 13.277 3.804 1.00 11.23 H new ATOM 1085 N GLN A 68 -6.309 13.812 1.413 1.00 25.22 N ATOM 1086 CA GLN A 68 -5.321 13.944 0.355 1.00 30.30 C ATOM 1087 C GLN A 68 -4.000 13.345 0.824 1.00 31.35 C ATOM 1088 O GLN A 68 -3.580 12.290 0.351 1.00 51.01 O ATOM 1089 CB GLN A 68 -5.117 15.413 -0.031 1.00 22.54 C ATOM 1090 CG GLN A 68 -6.331 16.063 -0.678 1.00 32.33 C ATOM 1091 CD GLN A 68 -6.067 17.498 -1.085 1.00 22.21 C ATOM 1092 OE1 GLN A 68 -5.629 17.772 -2.202 1.00 33.00 O ATOM 1093 NE2 GLN A 68 -6.326 18.426 -0.180 1.00 44.42 N ATOM 0 H GLN A 68 -5.998 14.164 2.318 1.00 25.22 H new ATOM 0 HA GLN A 68 -5.680 13.411 -0.525 1.00 30.30 H new ATOM 0 HB2 GLN A 68 -4.849 15.978 0.862 1.00 22.54 H new ATOM 0 HB3 GLN A 68 -4.273 15.483 -0.717 1.00 22.54 H new ATOM 0 HG2 GLN A 68 -6.624 15.487 -1.556 1.00 32.33 H new ATOM 0 HG3 GLN A 68 -7.170 16.033 0.017 1.00 32.33 H new ATOM 0 HE21 GLN A 68 -6.688 18.159 0.735 1.00 44.42 H new ATOM 0 HE22 GLN A 68 -6.163 19.409 -0.397 1.00 44.42 H new ATOM 1102 N GLY A 69 -3.364 14.016 1.777 1.00 75.11 N ATOM 1103 CA GLY A 69 -2.117 13.521 2.319 1.00 4.40 C ATOM 1104 C GLY A 69 -1.952 13.854 3.787 1.00 64.20 C ATOM 1105 O GLY A 69 -0.871 14.244 4.221 1.00 42.13 O ATOM 0 H GLY A 69 -3.691 14.893 2.182 1.00 75.11 H new ATOM 0 HA2 GLY A 69 -2.071 12.440 2.187 1.00 4.40 H new ATOM 0 HA3 GLY A 69 -1.286 13.947 1.757 1.00 4.40 H new ATOM 1109 N VAL A 70 -3.020 13.698 4.563 1.00 42.12 N ATOM 1110 CA VAL A 70 -2.954 13.960 5.999 1.00 52.22 C ATOM 1111 C VAL A 70 -2.312 12.771 6.721 1.00 64.25 C ATOM 1112 O VAL A 70 -1.957 12.846 7.899 1.00 53.34 O ATOM 1113 CB VAL A 70 -4.356 14.263 6.590 1.00 31.24 C ATOM 1114 CG1 VAL A 70 -5.232 13.021 6.605 1.00 53.11 C ATOM 1115 CG2 VAL A 70 -4.245 14.861 7.988 1.00 32.23 C ATOM 0 H VAL A 70 -3.934 13.394 4.227 1.00 42.12 H new ATOM 0 HA VAL A 70 -2.337 14.845 6.151 1.00 52.22 H new ATOM 0 HB VAL A 70 -4.831 14.999 5.942 1.00 31.24 H new ATOM 0 HG11 VAL A 70 -6.207 13.268 7.025 1.00 53.11 H new ATOM 0 HG12 VAL A 70 -5.358 12.653 5.587 1.00 53.11 H new ATOM 0 HG13 VAL A 70 -4.760 12.250 7.214 1.00 53.11 H new ATOM 0 HG21 VAL A 70 -5.243 15.063 8.377 1.00 32.23 H new ATOM 0 HG22 VAL A 70 -3.735 14.157 8.645 1.00 32.23 H new ATOM 0 HG23 VAL A 70 -3.678 15.791 7.942 1.00 32.23 H new ATOM 1125 N HIS A 71 -2.160 11.675 5.988 1.00 32.00 N ATOM 1126 CA HIS A 71 -1.511 10.469 6.498 1.00 43.40 C ATOM 1127 C HIS A 71 -0.234 10.194 5.715 1.00 74.14 C ATOM 1128 O HIS A 71 0.292 9.085 5.727 1.00 44.13 O ATOM 1129 CB HIS A 71 -2.456 9.262 6.440 1.00 30.32 C ATOM 1130 CG HIS A 71 -3.382 9.178 7.617 1.00 12.43 C ATOM 1131 ND1 HIS A 71 -4.056 10.145 8.284 1.00 12.33 N flip ATOM 1132 CD2 HIS A 71 -3.698 7.993 8.248 1.00 23.55 C flip ATOM 1133 CE1 HIS A 71 -4.756 9.534 9.289 1.00 72.03 C flip ATOM 1134 NE2 HIS A 71 -4.527 8.239 9.247 1.00 62.50 N flip ATOM 0 H HIS A 71 -2.482 11.595 5.024 1.00 32.00 H new ATOM 0 HA HIS A 71 -1.254 10.634 7.544 1.00 43.40 H new ATOM 0 HB2 HIS A 71 -3.046 9.315 5.525 1.00 30.32 H new ATOM 0 HB3 HIS A 71 -1.864 8.348 6.386 1.00 30.32 H new ATOM 0 HD2 HIS A 71 -3.326 7.018 7.969 1.00 23.55 H new ATOM 0 HE1 HIS A 71 -5.394 10.035 10.002 1.00 72.03 H new ATOM 0 HE2 HIS A 71 -4.923 7.543 9.879 1.00 62.50 H new ATOM 1143 N ASP A 72 0.241 11.229 5.030 1.00 42.13 N ATOM 1144 CA ASP A 72 1.439 11.159 4.186 1.00 11.21 C ATOM 1145 C ASP A 72 2.640 10.574 4.937 1.00 23.12 C ATOM 1146 O ASP A 72 3.411 9.793 4.377 1.00 32.23 O ATOM 1147 CB ASP A 72 1.769 12.572 3.684 1.00 13.12 C ATOM 1148 CG ASP A 72 2.990 12.645 2.789 1.00 61.34 C ATOM 1149 OD1 ASP A 72 4.119 12.712 3.316 1.00 72.01 O ATOM 1150 OD2 ASP A 72 2.823 12.691 1.552 1.00 25.32 O ATOM 0 H ASP A 72 -0.196 12.151 5.042 1.00 42.13 H new ATOM 0 HA ASP A 72 1.232 10.494 3.348 1.00 11.21 H new ATOM 0 HB2 ASP A 72 0.909 12.962 3.139 1.00 13.12 H new ATOM 0 HB3 ASP A 72 1.923 13.224 4.544 1.00 13.12 H new ATOM 1155 N ASP A 73 2.776 10.931 6.213 1.00 1.44 N ATOM 1156 CA ASP A 73 3.924 10.500 7.015 1.00 5.33 C ATOM 1157 C ASP A 73 3.684 9.139 7.671 1.00 35.50 C ATOM 1158 O ASP A 73 4.509 8.668 8.454 1.00 11.41 O ATOM 1159 CB ASP A 73 4.256 11.541 8.093 1.00 12.34 C ATOM 1160 CG ASP A 73 3.253 11.565 9.236 1.00 12.30 C ATOM 1161 OD1 ASP A 73 2.207 12.232 9.105 1.00 1.21 O ATOM 1162 OD2 ASP A 73 3.515 10.936 10.282 1.00 72.44 O ATOM 0 H ASP A 73 2.108 11.516 6.715 1.00 1.44 H new ATOM 0 HA ASP A 73 4.769 10.403 6.334 1.00 5.33 H new ATOM 0 HB2 ASP A 73 5.248 11.335 8.494 1.00 12.34 H new ATOM 0 HB3 ASP A 73 4.297 12.529 7.634 1.00 12.34 H new ATOM 1167 N VAL A 74 2.571 8.504 7.346 1.00 3.22 N ATOM 1168 CA VAL A 74 2.235 7.216 7.926 1.00 51.31 C ATOM 1169 C VAL A 74 2.904 6.089 7.153 1.00 33.10 C ATOM 1170 O VAL A 74 2.888 6.068 5.920 1.00 12.33 O ATOM 1171 CB VAL A 74 0.706 6.983 7.959 1.00 12.30 C ATOM 1172 CG1 VAL A 74 0.370 5.567 8.409 1.00 54.11 C ATOM 1173 CG2 VAL A 74 0.037 7.996 8.873 1.00 52.15 C ATOM 0 H VAL A 74 1.884 8.861 6.682 1.00 3.22 H new ATOM 0 HA VAL A 74 2.602 7.221 8.952 1.00 51.31 H new ATOM 0 HB VAL A 74 0.327 7.113 6.945 1.00 12.30 H new ATOM 0 HG11 VAL A 74 -0.712 5.436 8.421 1.00 54.11 H new ATOM 0 HG12 VAL A 74 0.814 4.851 7.718 1.00 54.11 H new ATOM 0 HG13 VAL A 74 0.767 5.400 9.410 1.00 54.11 H new ATOM 0 HG21 VAL A 74 -1.039 7.820 8.886 1.00 52.15 H new ATOM 0 HG22 VAL A 74 0.434 7.893 9.883 1.00 52.15 H new ATOM 0 HG23 VAL A 74 0.235 9.003 8.507 1.00 52.15 H new ATOM 1183 N ASP A 75 3.514 5.176 7.890 1.00 34.30 N ATOM 1184 CA ASP A 75 4.107 3.983 7.305 1.00 22.51 C ATOM 1185 C ASP A 75 3.044 2.913 7.121 1.00 5.34 C ATOM 1186 O ASP A 75 2.415 2.474 8.084 1.00 72.54 O ATOM 1187 CB ASP A 75 5.234 3.436 8.190 1.00 13.43 C ATOM 1188 CG ASP A 75 6.514 4.241 8.099 1.00 73.12 C ATOM 1189 OD1 ASP A 75 6.607 5.303 8.747 1.00 40.03 O ATOM 1190 OD2 ASP A 75 7.450 3.804 7.394 1.00 20.21 O ATOM 0 H ASP A 75 3.612 5.239 8.903 1.00 34.30 H new ATOM 0 HA ASP A 75 4.527 4.255 6.337 1.00 22.51 H new ATOM 0 HB2 ASP A 75 4.897 3.419 9.226 1.00 13.43 H new ATOM 0 HB3 ASP A 75 5.441 2.404 7.906 1.00 13.43 H new ATOM 1195 N ILE A 76 2.836 2.508 5.882 1.00 3.43 N ATOM 1196 CA ILE A 76 1.898 1.442 5.580 1.00 2.33 C ATOM 1197 C ILE A 76 2.617 0.111 5.727 1.00 74.11 C ATOM 1198 O ILE A 76 3.549 -0.188 4.977 1.00 20.44 O ATOM 1199 CB ILE A 76 1.329 1.567 4.146 1.00 12.22 C ATOM 1200 CG1 ILE A 76 0.989 3.031 3.815 1.00 61.55 C ATOM 1201 CG2 ILE A 76 0.102 0.678 3.983 1.00 51.32 C ATOM 1202 CD1 ILE A 76 -0.003 3.678 4.758 1.00 41.24 C ATOM 0 H ILE A 76 3.305 2.902 5.066 1.00 3.43 H new ATOM 0 HA ILE A 76 1.060 1.510 6.273 1.00 2.33 H new ATOM 0 HB ILE A 76 2.093 1.234 3.444 1.00 12.22 H new ATOM 0 HG12 ILE A 76 1.910 3.614 3.822 1.00 61.55 H new ATOM 0 HG13 ILE A 76 0.590 3.077 2.802 1.00 61.55 H new ATOM 0 HG21 ILE A 76 -0.287 0.777 2.970 1.00 51.32 H new ATOM 0 HG22 ILE A 76 0.378 -0.360 4.166 1.00 51.32 H new ATOM 0 HG23 ILE A 76 -0.664 0.981 4.697 1.00 51.32 H new ATOM 0 HD11 ILE A 76 -0.182 4.707 4.448 1.00 41.24 H new ATOM 0 HD12 ILE A 76 -0.941 3.124 4.735 1.00 41.24 H new ATOM 0 HD13 ILE A 76 0.399 3.669 5.771 1.00 41.24 H new ATOM 1214 N ILE A 77 2.199 -0.672 6.708 1.00 14.05 N ATOM 1215 CA ILE A 77 2.909 -1.886 7.068 1.00 60.22 C ATOM 1216 C ILE A 77 2.351 -3.096 6.330 1.00 11.23 C ATOM 1217 O ILE A 77 1.157 -3.385 6.395 1.00 71.22 O ATOM 1218 CB ILE A 77 2.847 -2.130 8.591 1.00 12.33 C ATOM 1219 CG1 ILE A 77 3.418 -0.917 9.331 1.00 14.02 C ATOM 1220 CG2 ILE A 77 3.609 -3.397 8.967 1.00 13.15 C ATOM 1221 CD1 ILE A 77 3.349 -1.024 10.839 1.00 71.05 C ATOM 0 H ILE A 77 1.368 -0.487 7.270 1.00 14.05 H new ATOM 0 HA ILE A 77 3.950 -1.751 6.773 1.00 60.22 H new ATOM 0 HB ILE A 77 1.806 -2.267 8.884 1.00 12.33 H new ATOM 0 HG12 ILE A 77 4.458 -0.781 9.034 1.00 14.02 H new ATOM 0 HG13 ILE A 77 2.877 -0.025 9.016 1.00 14.02 H new ATOM 0 HG21 ILE A 77 3.552 -3.549 10.045 1.00 13.15 H new ATOM 0 HG22 ILE A 77 3.167 -4.252 8.456 1.00 13.15 H new ATOM 0 HG23 ILE A 77 4.653 -3.296 8.670 1.00 13.15 H new ATOM 0 HD11 ILE A 77 3.773 -0.126 11.287 1.00 71.05 H new ATOM 0 HD12 ILE A 77 2.309 -1.128 11.149 1.00 71.05 H new ATOM 0 HD13 ILE A 77 3.915 -1.896 11.168 1.00 71.05 H new ATOM 1233 N LEU A 78 3.232 -3.789 5.629 1.00 2.35 N ATOM 1234 CA LEU A 78 2.890 -5.013 4.932 1.00 34.41 C ATOM 1235 C LEU A 78 2.869 -6.172 5.923 1.00 54.13 C ATOM 1236 O LEU A 78 3.911 -6.568 6.446 1.00 44.32 O ATOM 1237 CB LEU A 78 3.920 -5.281 3.828 1.00 71.33 C ATOM 1238 CG LEU A 78 3.663 -6.516 2.961 1.00 65.03 C ATOM 1239 CD1 LEU A 78 2.446 -6.305 2.076 1.00 74.44 C ATOM 1240 CD2 LEU A 78 4.885 -6.834 2.115 1.00 21.14 C ATOM 0 H LEU A 78 4.209 -3.515 5.528 1.00 2.35 H new ATOM 0 HA LEU A 78 1.904 -4.913 4.479 1.00 34.41 H new ATOM 0 HB2 LEU A 78 3.963 -4.407 3.178 1.00 71.33 H new ATOM 0 HB3 LEU A 78 4.902 -5.383 4.290 1.00 71.33 H new ATOM 0 HG LEU A 78 3.467 -7.362 3.619 1.00 65.03 H new ATOM 0 HD11 LEU A 78 2.280 -7.194 1.468 1.00 74.44 H new ATOM 0 HD12 LEU A 78 1.570 -6.123 2.699 1.00 74.44 H new ATOM 0 HD13 LEU A 78 2.613 -5.446 1.426 1.00 74.44 H new ATOM 0 HD21 LEU A 78 4.686 -7.715 1.504 1.00 21.14 H new ATOM 0 HD22 LEU A 78 5.110 -5.987 1.467 1.00 21.14 H new ATOM 0 HD23 LEU A 78 5.737 -7.029 2.766 1.00 21.14 H new ATOM 1252 N LEU A 79 1.685 -6.700 6.187 1.00 64.35 N ATOM 1253 CA LEU A 79 1.524 -7.777 7.155 1.00 71.30 C ATOM 1254 C LEU A 79 1.838 -9.119 6.514 1.00 12.22 C ATOM 1255 O LEU A 79 2.507 -9.963 7.110 1.00 13.53 O ATOM 1256 CB LEU A 79 0.097 -7.793 7.712 1.00 20.51 C ATOM 1257 CG LEU A 79 -0.322 -6.546 8.493 1.00 33.22 C ATOM 1258 CD1 LEU A 79 -1.766 -6.672 8.949 1.00 32.42 C ATOM 1259 CD2 LEU A 79 0.596 -6.325 9.688 1.00 10.22 C ATOM 0 H LEU A 79 0.817 -6.400 5.743 1.00 64.35 H new ATOM 0 HA LEU A 79 2.221 -7.602 7.975 1.00 71.30 H new ATOM 0 HB2 LEU A 79 -0.596 -7.930 6.882 1.00 20.51 H new ATOM 0 HB3 LEU A 79 -0.010 -8.661 8.363 1.00 20.51 H new ATOM 0 HG LEU A 79 -0.237 -5.682 7.834 1.00 33.22 H new ATOM 0 HD11 LEU A 79 -2.052 -5.778 9.504 1.00 32.42 H new ATOM 0 HD12 LEU A 79 -2.414 -6.782 8.079 1.00 32.42 H new ATOM 0 HD13 LEU A 79 -1.870 -7.546 9.592 1.00 32.42 H new ATOM 0 HD21 LEU A 79 0.280 -5.433 10.229 1.00 10.22 H new ATOM 0 HD22 LEU A 79 0.545 -7.189 10.351 1.00 10.22 H new ATOM 0 HD23 LEU A 79 1.621 -6.195 9.340 1.00 10.22 H new ATOM 1271 N GLN A 80 1.361 -9.303 5.295 1.00 64.43 N ATOM 1272 CA GLN A 80 1.599 -10.534 4.566 1.00 64.33 C ATOM 1273 C GLN A 80 2.491 -10.272 3.369 1.00 53.35 C ATOM 1274 O GLN A 80 2.235 -9.367 2.580 1.00 1.10 O ATOM 1275 CB GLN A 80 0.278 -11.148 4.099 1.00 34.24 C ATOM 1276 CG GLN A 80 -0.554 -11.747 5.221 1.00 55.10 C ATOM 1277 CD GLN A 80 -1.793 -12.457 4.710 1.00 2.24 C ATOM 1278 OE1 GLN A 80 -2.884 -11.725 4.596 1.00 21.43 O flip ATOM 1279 NE2 GLN A 80 -1.765 -13.654 4.419 1.00 25.54 N flip ATOM 0 H GLN A 80 0.805 -8.613 4.789 1.00 64.43 H new ATOM 0 HA GLN A 80 2.096 -11.236 5.236 1.00 64.33 H new ATOM 0 HB2 GLN A 80 -0.309 -10.381 3.594 1.00 34.24 H new ATOM 0 HB3 GLN A 80 0.489 -11.924 3.363 1.00 34.24 H new ATOM 0 HG2 GLN A 80 0.057 -12.451 5.786 1.00 55.10 H new ATOM 0 HG3 GLN A 80 -0.850 -10.957 5.911 1.00 55.10 H new ATOM 0 HE21 GLN A 80 -0.900 -14.184 4.522 1.00 25.54 H new ATOM 0 HE22 GLN A 80 -2.607 -14.115 4.075 1.00 25.54 H new ATOM 1288 N ASP A 81 3.523 -11.082 3.229 1.00 44.05 N ATOM 1289 CA ASP A 81 4.430 -10.970 2.099 1.00 13.24 C ATOM 1290 C ASP A 81 4.534 -12.301 1.386 1.00 3.03 C ATOM 1291 O ASP A 81 4.897 -13.314 1.988 1.00 34.23 O ATOM 1292 CB ASP A 81 5.817 -10.511 2.546 1.00 53.34 C ATOM 1293 CG ASP A 81 6.795 -10.419 1.389 1.00 72.33 C ATOM 1294 OD1 ASP A 81 6.345 -10.236 0.235 1.00 42.30 O ATOM 1295 OD2 ASP A 81 8.015 -10.512 1.628 1.00 22.21 O ATOM 0 H ASP A 81 3.756 -11.827 3.885 1.00 44.05 H new ATOM 0 HA ASP A 81 4.028 -10.222 1.416 1.00 13.24 H new ATOM 0 HB2 ASP A 81 5.737 -9.537 3.029 1.00 53.34 H new ATOM 0 HB3 ASP A 81 6.204 -11.206 3.292 1.00 53.34 H new ATOM 1300 N LEU A 82 4.220 -12.298 0.103 1.00 41.23 N ATOM 1301 CA LEU A 82 4.174 -13.530 -0.663 1.00 54.33 C ATOM 1302 C LEU A 82 5.370 -13.661 -1.597 1.00 14.34 C ATOM 1303 O LEU A 82 5.491 -14.659 -2.310 1.00 11.11 O ATOM 1304 CB LEU A 82 2.882 -13.626 -1.476 1.00 5.10 C ATOM 1305 CG LEU A 82 2.780 -12.677 -2.672 1.00 35.12 C ATOM 1306 CD1 LEU A 82 1.718 -13.166 -3.636 1.00 0.35 C ATOM 1307 CD2 LEU A 82 2.469 -11.263 -2.214 1.00 12.13 C ATOM 0 H LEU A 82 3.994 -11.458 -0.429 1.00 41.23 H new ATOM 0 HA LEU A 82 4.206 -14.347 0.057 1.00 54.33 H new ATOM 0 HB2 LEU A 82 2.777 -14.649 -1.837 1.00 5.10 H new ATOM 0 HB3 LEU A 82 2.040 -13.434 -0.810 1.00 5.10 H new ATOM 0 HG LEU A 82 3.742 -12.664 -3.185 1.00 35.12 H new ATOM 0 HD11 LEU A 82 1.654 -12.483 -4.483 1.00 0.35 H new ATOM 0 HD12 LEU A 82 1.980 -14.162 -3.992 1.00 0.35 H new ATOM 0 HD13 LEU A 82 0.755 -13.205 -3.127 1.00 0.35 H new ATOM 0 HD21 LEU A 82 2.401 -10.606 -3.081 1.00 12.13 H new ATOM 0 HD22 LEU A 82 1.520 -11.255 -1.678 1.00 12.13 H new ATOM 0 HD23 LEU A 82 3.262 -10.912 -1.554 1.00 12.13 H new ATOM 1319 N GLU A 83 6.249 -12.664 -1.612 1.00 24.44 N ATOM 1320 CA GLU A 83 7.431 -12.735 -2.459 1.00 62.33 C ATOM 1321 C GLU A 83 8.440 -13.701 -1.843 1.00 74.24 C ATOM 1322 O GLU A 83 9.224 -13.327 -0.968 1.00 13.44 O ATOM 1323 CB GLU A 83 8.070 -11.356 -2.656 1.00 50.33 C ATOM 1324 CG GLU A 83 9.245 -11.372 -3.626 1.00 1.44 C ATOM 1325 CD GLU A 83 10.005 -10.061 -3.679 1.00 42.33 C ATOM 1326 OE1 GLU A 83 10.921 -9.866 -2.853 1.00 2.31 O ATOM 1327 OE2 GLU A 83 9.713 -9.227 -4.560 1.00 10.12 O ATOM 0 H GLU A 83 6.167 -11.812 -1.057 1.00 24.44 H new ATOM 0 HA GLU A 83 7.126 -13.097 -3.441 1.00 62.33 H new ATOM 0 HB2 GLU A 83 7.314 -10.661 -3.022 1.00 50.33 H new ATOM 0 HB3 GLU A 83 8.409 -10.978 -1.691 1.00 50.33 H new ATOM 0 HG2 GLU A 83 9.931 -12.169 -3.340 1.00 1.44 H new ATOM 0 HG3 GLU A 83 8.878 -11.611 -4.624 1.00 1.44 H new ATOM 1334 N HIS A 84 8.398 -14.946 -2.285 1.00 24.22 N ATOM 1335 CA HIS A 84 9.221 -15.985 -1.690 1.00 62.05 C ATOM 1336 C HIS A 84 10.535 -16.126 -2.444 1.00 61.14 C ATOM 1337 O HIS A 84 10.548 -16.413 -3.641 1.00 61.30 O ATOM 1338 CB HIS A 84 8.474 -17.322 -1.676 1.00 71.22 C ATOM 1339 CG HIS A 84 9.071 -18.331 -0.745 1.00 23.52 C ATOM 1340 ND1 HIS A 84 9.951 -19.309 -1.148 1.00 23.45 N ATOM 1341 CD2 HIS A 84 8.903 -18.508 0.586 1.00 43.44 C ATOM 1342 CE1 HIS A 84 10.297 -20.043 -0.107 1.00 10.33 C ATOM 1343 NE2 HIS A 84 9.675 -19.577 0.961 1.00 12.54 N ATOM 0 H HIS A 84 7.804 -15.262 -3.052 1.00 24.22 H new ATOM 0 HA HIS A 84 9.440 -15.697 -0.662 1.00 62.05 H new ATOM 0 HB2 HIS A 84 7.437 -17.146 -1.392 1.00 71.22 H new ATOM 0 HB3 HIS A 84 8.463 -17.733 -2.685 1.00 71.22 H new ATOM 0 HD2 HIS A 84 8.275 -17.915 1.235 1.00 43.44 H new ATOM 0 HE1 HIS A 84 10.975 -20.884 -0.125 1.00 10.33 H new ATOM 0 HE2 HIS A 84 9.756 -19.950 1.907 1.00 12.54 H new ATOM 1352 N HIS A 85 11.630 -15.910 -1.735 1.00 25.35 N ATOM 1353 CA HIS A 85 12.959 -16.026 -2.318 1.00 51.44 C ATOM 1354 C HIS A 85 13.497 -17.434 -2.133 1.00 73.13 C ATOM 1355 O HIS A 85 13.991 -17.745 -1.029 1.00 5.23 O ATOM 1356 CB HIS A 85 13.917 -15.015 -1.688 1.00 52.31 C ATOM 1357 CG HIS A 85 13.630 -13.601 -2.077 1.00 3.44 C ATOM 1358 ND1 HIS A 85 14.412 -12.901 -2.961 1.00 1.04 N ATOM 1359 CD2 HIS A 85 12.638 -12.760 -1.705 1.00 73.01 C ATOM 1360 CE1 HIS A 85 13.915 -11.691 -3.122 1.00 24.11 C ATOM 1361 NE2 HIS A 85 12.835 -11.576 -2.371 1.00 25.41 N ATOM 0 H HIS A 85 11.626 -15.652 -0.748 1.00 25.35 H new ATOM 0 HA HIS A 85 12.881 -15.814 -3.384 1.00 51.44 H new ATOM 0 HB2 HIS A 85 13.864 -15.103 -0.603 1.00 52.31 H new ATOM 0 HB3 HIS A 85 14.938 -15.264 -1.978 1.00 52.31 H new ATOM 0 HD2 HIS A 85 11.839 -12.979 -1.012 1.00 73.01 H new ATOM 0 HE1 HIS A 85 14.323 -10.922 -3.761 1.00 24.11 H new ATOM 0 HE2 HIS A 85 12.246 -10.746 -2.298 1.00 25.41 H new TER 1370 HIS A 85