USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 998 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 53 THR OG1 : rot 180:sc= 1.06 USER MOD Set 1.2: A 55 SER OG : rot 83:sc= 1.18 USER MOD Set 2.1: A 10 THR OG1 : rot 78:sc= 0.00628 USER MOD Set 2.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 55:sc= -0.19 USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0209) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0848 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 165:sc= -0.188 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.00398 X(o=0.004,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.522 F(o=-1.4,f=-0.52) USER MOD Single : A 44 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.6!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -0.172 (180deg=-1.55!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.057) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.2!) USER MOD Single : A 84 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-1.2) USER MOD Single : A 87 TYR OH : rot 150:sc= -1.77! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= -0.294 (180deg=-0.447) USER MOD Single : A 112 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.5!) USER MOD Single : A 115 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 116 GLN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.780 -2.990 -1.379 1.00 15.44 N ATOM 2 CA MET A 1 4.240 -1.640 -1.266 1.00 3.31 C ATOM 3 C MET A 1 2.944 -1.504 -2.057 1.00 74.14 C ATOM 4 O MET A 1 1.890 -1.203 -1.494 1.00 71.53 O ATOM 5 CB MET A 1 5.263 -0.615 -1.761 1.00 63.25 C ATOM 6 CG MET A 1 5.077 0.769 -1.163 1.00 72.34 C ATOM 7 SD MET A 1 6.614 1.710 -1.093 1.00 74.21 S ATOM 8 CE MET A 1 6.465 2.482 0.516 1.00 74.05 C ATOM 0 H1 MET A 1 5.662 -3.058 -0.832 1.00 15.44 H new ATOM 0 H2 MET A 1 4.089 -3.673 -1.007 1.00 15.44 H new ATOM 0 H3 MET A 1 4.975 -3.204 -2.378 1.00 15.44 H new ATOM 0 HA MET A 1 4.024 -1.449 -0.215 1.00 3.31 H new ATOM 0 HB2 MET A 1 6.266 -0.972 -1.525 1.00 63.25 H new ATOM 0 HB3 MET A 1 5.197 -0.544 -2.847 1.00 63.25 H new ATOM 0 HG2 MET A 1 4.345 1.320 -1.754 1.00 72.34 H new ATOM 0 HG3 MET A 1 4.668 0.674 -0.157 1.00 72.34 H new ATOM 0 HE1 MET A 1 7.343 3.100 0.706 1.00 74.05 H new ATOM 0 HE2 MET A 1 5.571 3.105 0.539 1.00 74.05 H new ATOM 0 HE3 MET A 1 6.390 1.712 1.284 1.00 74.05 H new ATOM 18 N SER A 2 3.026 -1.727 -3.365 1.00 74.23 N ATOM 19 CA SER A 2 1.860 -1.626 -4.234 1.00 34.35 C ATOM 20 C SER A 2 1.016 -2.895 -4.159 1.00 3.11 C ATOM 21 O SER A 2 1.365 -3.921 -4.741 1.00 53.21 O ATOM 22 CB SER A 2 2.294 -1.373 -5.678 1.00 53.05 C ATOM 23 OG SER A 2 1.171 -1.214 -6.528 1.00 72.31 O ATOM 0 H SER A 2 3.889 -1.979 -3.846 1.00 74.23 H new ATOM 0 HA SER A 2 1.254 -0.787 -3.893 1.00 34.35 H new ATOM 0 HB2 SER A 2 2.917 -0.480 -5.723 1.00 53.05 H new ATOM 0 HB3 SER A 2 2.904 -2.205 -6.029 1.00 53.05 H new ATOM 0 HG SER A 2 1.475 -1.052 -7.445 1.00 72.31 H new ATOM 29 N SER A 3 -0.099 -2.815 -3.439 1.00 72.01 N ATOM 30 CA SER A 3 -0.992 -3.957 -3.284 1.00 24.41 C ATOM 31 C SER A 3 -2.234 -3.797 -4.156 1.00 2.44 C ATOM 32 O SER A 3 -3.360 -3.832 -3.663 1.00 21.24 O ATOM 33 CB SER A 3 -1.402 -4.116 -1.819 1.00 44.53 C ATOM 34 OG SER A 3 -2.012 -2.935 -1.328 1.00 72.50 O ATOM 0 H SER A 3 -0.405 -1.971 -2.954 1.00 72.01 H new ATOM 0 HA SER A 3 -0.457 -4.851 -3.603 1.00 24.41 H new ATOM 0 HB2 SER A 3 -2.093 -4.953 -1.720 1.00 44.53 H new ATOM 0 HB3 SER A 3 -0.525 -4.353 -1.217 1.00 44.53 H new ATOM 0 HG SER A 3 -2.764 -2.690 -1.907 1.00 72.50 H new ATOM 40 N GLU A 4 -2.017 -3.622 -5.457 1.00 74.53 N ATOM 41 CA GLU A 4 -3.118 -3.456 -6.398 1.00 44.43 C ATOM 42 C GLU A 4 -3.939 -4.738 -6.507 1.00 72.00 C ATOM 43 O GLU A 4 -5.142 -4.697 -6.768 1.00 41.22 O ATOM 44 CB GLU A 4 -2.585 -3.061 -7.776 1.00 55.41 C ATOM 45 CG GLU A 4 -2.358 -1.567 -7.937 1.00 51.52 C ATOM 46 CD GLU A 4 -3.639 -0.813 -8.239 1.00 0.52 C ATOM 47 OE1 GLU A 4 -4.729 -1.380 -8.017 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -3.550 0.345 -8.699 1.00 44.14 O ATOM 0 H GLU A 4 -1.090 -3.592 -5.882 1.00 74.53 H new ATOM 0 HA GLU A 4 -3.764 -2.662 -6.025 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.646 -3.584 -7.956 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -3.288 -3.397 -8.538 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -1.913 -1.170 -7.024 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -1.642 -1.396 -8.741 1.00 51.52 H new ATOM 55 N LEU A 5 -3.281 -5.874 -6.306 1.00 43.24 N ATOM 56 CA LEU A 5 -3.949 -7.169 -6.380 1.00 13.32 C ATOM 57 C LEU A 5 -5.163 -7.209 -5.460 1.00 63.44 C ATOM 58 O LEU A 5 -6.176 -7.835 -5.778 1.00 51.25 O ATOM 59 CB LEU A 5 -2.975 -8.288 -6.009 1.00 63.32 C ATOM 60 CG LEU A 5 -2.639 -8.420 -4.523 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.967 -9.756 -4.244 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.751 -7.270 -4.073 1.00 74.41 C ATOM 0 H LEU A 5 -2.285 -5.925 -6.090 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.289 -7.317 -7.405 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -3.393 -9.235 -6.352 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -2.047 -8.131 -6.558 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.568 -8.379 -3.955 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.735 -9.832 -3.182 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.638 -10.567 -4.528 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -1.046 -9.828 -4.822 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.522 -7.380 -3.013 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.825 -7.279 -4.647 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.269 -6.325 -4.236 1.00 74.41 H new ATOM 74 N LEU A 6 -5.058 -6.536 -4.320 1.00 10.52 N ATOM 75 CA LEU A 6 -6.149 -6.492 -3.353 1.00 13.21 C ATOM 76 C LEU A 6 -7.448 -6.047 -4.017 1.00 51.12 C ATOM 77 O LEU A 6 -8.510 -6.622 -3.776 1.00 73.12 O ATOM 78 CB LEU A 6 -5.801 -5.546 -2.203 1.00 44.03 C ATOM 79 CG LEU A 6 -4.621 -5.963 -1.325 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.340 -4.903 -0.271 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.894 -7.310 -0.669 1.00 22.10 C ATOM 0 H LEU A 6 -4.228 -6.013 -4.042 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.291 -7.498 -2.957 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.588 -4.562 -2.620 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.681 -5.439 -1.568 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.739 -6.061 -1.957 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.497 -5.217 0.345 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.101 -3.958 -0.760 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.220 -4.773 0.358 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.044 -7.591 -0.048 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.788 -7.238 -0.050 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.046 -8.066 -1.440 1.00 22.10 H new ATOM 93 N ASP A 7 -7.357 -5.020 -4.856 1.00 4.52 N ATOM 94 CA ASP A 7 -8.523 -4.500 -5.558 1.00 25.12 C ATOM 95 C ASP A 7 -8.985 -5.472 -6.639 1.00 33.21 C ATOM 96 O ASP A 7 -10.176 -5.567 -6.935 1.00 24.02 O ATOM 97 CB ASP A 7 -8.206 -3.139 -6.179 1.00 34.32 C ATOM 98 CG ASP A 7 -9.423 -2.238 -6.253 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.530 -2.756 -6.507 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -9.267 -1.014 -6.057 1.00 34.22 O ATOM 0 H ASP A 7 -6.486 -4.532 -5.066 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.329 -4.381 -4.834 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.429 -2.648 -5.593 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.804 -3.285 -7.182 1.00 34.32 H new ATOM 105 N ALA A 8 -8.034 -6.191 -7.226 1.00 74.43 N ATOM 106 CA ALA A 8 -8.344 -7.156 -8.275 1.00 44.45 C ATOM 107 C ALA A 8 -9.375 -8.173 -7.796 1.00 72.11 C ATOM 108 O ALA A 8 -10.410 -8.370 -8.435 1.00 71.43 O ATOM 109 CB ALA A 8 -7.076 -7.862 -8.733 1.00 72.11 C ATOM 0 H ALA A 8 -7.043 -6.124 -6.994 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.771 -6.615 -9.120 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.322 -8.579 -9.516 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.371 -7.127 -9.122 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.626 -8.385 -7.889 1.00 72.11 H new ATOM 115 N LEU A 9 -9.087 -8.816 -6.671 1.00 65.10 N ATOM 116 CA LEU A 9 -9.989 -9.815 -6.107 1.00 30.43 C ATOM 117 C LEU A 9 -11.381 -9.230 -5.890 1.00 2.51 C ATOM 118 O LEU A 9 -12.387 -9.839 -6.255 1.00 14.11 O ATOM 119 CB LEU A 9 -9.434 -10.344 -4.785 1.00 54.45 C ATOM 120 CG LEU A 9 -7.967 -10.778 -4.798 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.239 -10.236 -3.578 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.860 -12.295 -4.854 1.00 32.24 C ATOM 0 H LEU A 9 -8.236 -8.664 -6.130 1.00 65.10 H new ATOM 0 HA LEU A 9 -10.067 -10.639 -6.816 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.556 -9.570 -4.027 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.041 -11.194 -4.474 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.495 -10.367 -5.690 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.197 -10.555 -3.605 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.285 -9.147 -3.581 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.712 -10.617 -2.673 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.809 -12.586 -4.863 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.349 -12.727 -3.981 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.345 -12.661 -5.759 1.00 32.24 H new ATOM 134 N THR A 10 -11.431 -8.042 -5.294 1.00 42.42 N ATOM 135 CA THR A 10 -12.699 -7.373 -5.029 1.00 45.22 C ATOM 136 C THR A 10 -13.556 -7.300 -6.288 1.00 33.22 C ATOM 137 O THR A 10 -14.753 -7.580 -6.252 1.00 71.53 O ATOM 138 CB THR A 10 -12.480 -5.949 -4.487 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.747 -6.000 -3.258 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.810 -5.245 -4.262 1.00 62.04 C ATOM 0 H THR A 10 -10.608 -7.524 -4.986 1.00 42.42 H new ATOM 0 HA THR A 10 -13.217 -7.965 -4.274 1.00 45.22 H new ATOM 0 HB THR A 10 -11.910 -5.386 -5.226 1.00 10.42 H new ATOM 0 HG1 THR A 10 -10.798 -6.154 -3.449 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.630 -4.241 -3.879 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.352 -5.182 -5.205 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.402 -5.808 -3.540 1.00 62.04 H new ATOM 148 N ILE A 11 -12.934 -6.922 -7.400 1.00 32.10 N ATOM 149 CA ILE A 11 -13.640 -6.813 -8.670 1.00 21.23 C ATOM 150 C ILE A 11 -14.341 -8.119 -9.024 1.00 62.33 C ATOM 151 O ILE A 11 -15.452 -8.117 -9.556 1.00 65.32 O ATOM 152 CB ILE A 11 -12.682 -6.431 -9.816 1.00 71.24 C ATOM 153 CG1 ILE A 11 -12.008 -5.090 -9.521 1.00 53.43 C ATOM 154 CG2 ILE A 11 -13.434 -6.374 -11.137 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.591 -4.998 -10.042 1.00 14.01 C ATOM 0 H ILE A 11 -11.943 -6.686 -7.447 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.384 -6.025 -8.550 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.908 -7.195 -9.894 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.601 -4.289 -9.963 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -12.002 -4.925 -8.444 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.745 -6.103 -11.937 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.871 -7.350 -11.349 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -14.226 -5.628 -11.073 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -10.176 -4.020 -9.797 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.983 -5.776 -9.581 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.592 -5.131 -11.124 1.00 14.01 H new ATOM 167 N LEU A 12 -13.687 -9.235 -8.722 1.00 75.15 N ATOM 168 CA LEU A 12 -14.248 -10.552 -9.006 1.00 35.45 C ATOM 169 C LEU A 12 -15.382 -10.880 -8.040 1.00 52.41 C ATOM 170 O LEU A 12 -16.382 -11.485 -8.425 1.00 23.30 O ATOM 171 CB LEU A 12 -13.160 -11.623 -8.913 1.00 52.11 C ATOM 172 CG LEU A 12 -11.782 -11.226 -9.443 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.801 -12.380 -9.298 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.875 -10.783 -10.896 1.00 60.44 C ATOM 0 H LEU A 12 -12.768 -9.255 -8.281 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.650 -10.537 -10.019 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -13.055 -11.916 -7.868 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.497 -12.504 -9.459 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.415 -10.387 -8.851 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.826 -12.079 -9.680 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.710 -12.651 -8.246 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.163 -13.239 -9.864 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.884 -10.504 -11.256 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -12.264 -11.601 -11.502 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.543 -9.925 -10.973 1.00 60.44 H new ATOM 186 N GLU A 13 -15.221 -10.473 -6.784 1.00 2.20 N ATOM 187 CA GLU A 13 -16.232 -10.722 -5.765 1.00 73.44 C ATOM 188 C GLU A 13 -17.578 -10.135 -6.178 1.00 24.32 C ATOM 189 O GLU A 13 -18.634 -10.625 -5.775 1.00 32.15 O ATOM 190 CB GLU A 13 -15.795 -10.128 -4.424 1.00 53.14 C ATOM 191 CG GLU A 13 -16.603 -10.633 -3.241 1.00 32.32 C ATOM 192 CD GLU A 13 -16.011 -10.217 -1.909 1.00 22.03 C ATOM 193 OE1 GLU A 13 -15.156 -10.959 -1.383 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -16.402 -9.150 -1.393 1.00 5.24 O ATOM 0 H GLU A 13 -14.400 -9.970 -6.449 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.343 -11.801 -5.658 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.743 -10.360 -4.260 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -15.878 -9.042 -4.473 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.623 -10.255 -3.315 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.662 -11.721 -3.284 1.00 32.32 H new ATOM 201 N LYS A 14 -17.534 -9.081 -6.987 1.00 41.41 N ATOM 202 CA LYS A 14 -18.748 -8.425 -7.458 1.00 53.15 C ATOM 203 C LYS A 14 -19.712 -9.437 -8.069 1.00 32.03 C ATOM 204 O LYS A 14 -20.927 -9.256 -8.024 1.00 33.02 O ATOM 205 CB LYS A 14 -18.403 -7.346 -8.487 1.00 52.04 C ATOM 206 CG LYS A 14 -17.636 -6.172 -7.905 1.00 23.23 C ATOM 207 CD LYS A 14 -18.506 -5.341 -6.978 1.00 74.34 C ATOM 208 CE LYS A 14 -17.982 -3.920 -6.846 1.00 0.54 C ATOM 209 NZ LYS A 14 -17.032 -3.782 -5.709 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.669 -8.663 -7.330 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.235 -7.959 -6.601 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.813 -7.794 -9.286 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -19.325 -6.979 -8.939 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -16.768 -6.539 -7.358 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -17.262 -5.544 -8.714 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.527 -5.319 -7.358 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -18.542 -5.809 -5.994 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -17.485 -3.629 -7.771 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -18.819 -3.236 -6.705 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -16.485 -2.905 -5.819 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -17.563 -3.750 -4.815 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -16.384 -4.595 -5.698 1.00 44.11 H new ATOM 223 N GLU A 15 -19.159 -10.504 -8.638 1.00 31.13 N ATOM 224 CA GLU A 15 -19.970 -11.545 -9.258 1.00 10.21 C ATOM 225 C GLU A 15 -20.668 -12.393 -8.198 1.00 74.31 C ATOM 226 O GLU A 15 -20.656 -12.061 -7.012 1.00 23.34 O ATOM 227 CB GLU A 15 -19.103 -12.436 -10.149 1.00 45.25 C ATOM 228 CG GLU A 15 -18.142 -11.660 -11.034 1.00 55.15 C ATOM 229 CD GLU A 15 -18.854 -10.718 -11.984 1.00 24.20 C ATOM 230 OE1 GLU A 15 -19.791 -11.169 -12.676 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -18.475 -9.530 -12.036 1.00 1.53 O ATOM 0 H GLU A 15 -18.154 -10.670 -8.682 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.730 -11.061 -9.871 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -18.533 -13.120 -9.520 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -19.751 -13.047 -10.778 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -17.458 -11.089 -10.407 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -17.537 -12.361 -11.609 1.00 55.15 H new ATOM 238 N LYS A 16 -21.277 -13.491 -8.634 1.00 54.02 N ATOM 239 CA LYS A 16 -21.981 -14.388 -7.726 1.00 15.32 C ATOM 240 C LYS A 16 -21.445 -15.811 -7.843 1.00 60.10 C ATOM 241 O LYS A 16 -21.241 -16.319 -8.944 1.00 20.10 O ATOM 242 CB LYS A 16 -23.483 -14.372 -8.021 1.00 20.41 C ATOM 243 CG LYS A 16 -24.262 -15.438 -7.271 1.00 32.52 C ATOM 244 CD LYS A 16 -24.153 -15.254 -5.766 1.00 20.11 C ATOM 245 CE LYS A 16 -24.937 -14.038 -5.296 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.318 -14.146 -3.861 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.297 -13.781 -9.612 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.814 -14.037 -6.708 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.885 -13.392 -7.764 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.636 -14.508 -9.092 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -25.310 -15.400 -7.568 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.888 -16.424 -7.546 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -24.525 -16.146 -5.261 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.105 -15.143 -5.487 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -24.339 -13.139 -5.446 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.835 -13.928 -5.903 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -25.851 -13.299 -3.579 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.910 -14.990 -3.722 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -24.460 -14.225 -3.279 1.00 30.23 H new ATOM 260 N GLY A 17 -21.218 -16.450 -6.699 1.00 53.14 N ATOM 261 CA GLY A 17 -20.709 -17.809 -6.696 1.00 1.24 C ATOM 262 C GLY A 17 -19.226 -17.873 -7.000 1.00 24.31 C ATOM 263 O GLY A 17 -18.651 -18.957 -7.096 1.00 30.33 O ATOM 0 H GLY A 17 -21.378 -16.050 -5.774 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -20.897 -18.262 -5.723 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.254 -18.399 -7.433 1.00 1.24 H new ATOM 267 N ILE A 18 -18.605 -16.708 -7.157 1.00 51.44 N ATOM 268 CA ILE A 18 -17.180 -16.637 -7.454 1.00 32.50 C ATOM 269 C ILE A 18 -16.392 -16.137 -6.248 1.00 3.32 C ATOM 270 O ILE A 18 -15.868 -15.022 -6.253 1.00 25.41 O ATOM 271 CB ILE A 18 -16.901 -15.713 -8.655 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.837 -16.052 -9.815 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.446 -15.832 -9.088 1.00 34.32 C ATOM 274 CD1 ILE A 18 -17.665 -15.147 -11.014 1.00 3.12 C ATOM 0 H ILE A 18 -19.067 -15.801 -7.083 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.858 -17.648 -7.702 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.087 -14.682 -8.353 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.664 -17.084 -10.121 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.869 -15.991 -9.469 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.264 -15.173 -9.937 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.796 -15.546 -8.261 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -15.235 -16.862 -9.376 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -18.361 -15.446 -11.798 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.867 -14.116 -10.723 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -16.643 -15.226 -11.386 1.00 3.12 H new ATOM 286 N SER A 19 -16.308 -16.970 -5.216 1.00 72.20 N ATOM 287 CA SER A 19 -15.585 -16.612 -4.000 1.00 5.03 C ATOM 288 C SER A 19 -14.132 -16.270 -4.315 1.00 10.11 C ATOM 289 O SER A 19 -13.418 -17.054 -4.940 1.00 55.41 O ATOM 290 CB SER A 19 -15.644 -17.760 -2.990 1.00 70.31 C ATOM 291 OG SER A 19 -16.763 -18.595 -3.232 1.00 12.11 O ATOM 0 H SER A 19 -16.731 -17.898 -5.197 1.00 72.20 H new ATOM 0 HA SER A 19 -16.062 -15.733 -3.567 1.00 5.03 H new ATOM 0 HB2 SER A 19 -14.728 -18.348 -3.049 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.699 -17.357 -1.979 1.00 70.31 H new ATOM 0 HG SER A 19 -16.777 -19.322 -2.575 1.00 12.11 H new ATOM 297 N LYS A 20 -13.700 -15.092 -3.876 1.00 21.45 N ATOM 298 CA LYS A 20 -12.332 -14.644 -4.107 1.00 74.43 C ATOM 299 C LYS A 20 -11.345 -15.460 -3.280 1.00 44.01 C ATOM 300 O LYS A 20 -10.142 -15.444 -3.540 1.00 62.25 O ATOM 301 CB LYS A 20 -12.195 -13.158 -3.765 1.00 25.14 C ATOM 302 CG LYS A 20 -12.489 -12.840 -2.309 1.00 31.04 C ATOM 303 CD LYS A 20 -11.690 -11.640 -1.829 1.00 45.33 C ATOM 304 CE LYS A 20 -12.178 -10.352 -2.473 1.00 73.32 C ATOM 305 NZ LYS A 20 -11.994 -9.178 -1.574 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.278 -14.430 -3.358 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.102 -14.790 -5.162 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.183 -12.831 -4.003 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.872 -12.584 -4.398 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.554 -12.642 -2.187 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -12.253 -13.706 -1.691 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -11.769 -11.559 -0.745 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -10.635 -11.787 -2.061 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.638 -10.184 -3.405 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -13.233 -10.451 -2.730 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -12.339 -8.320 -2.049 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -12.530 -9.326 -0.695 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -10.985 -9.068 -1.349 1.00 24.23 H new ATOM 319 N GLU A 21 -11.861 -16.172 -2.283 1.00 64.52 N ATOM 320 CA GLU A 21 -11.023 -16.994 -1.418 1.00 11.33 C ATOM 321 C GLU A 21 -10.173 -17.958 -2.241 1.00 34.03 C ATOM 322 O GLU A 21 -9.029 -18.248 -1.889 1.00 42.53 O ATOM 323 CB GLU A 21 -11.888 -17.778 -0.429 1.00 34.13 C ATOM 324 CG GLU A 21 -12.586 -16.901 0.597 1.00 74.01 C ATOM 325 CD GLU A 21 -12.764 -17.594 1.934 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.497 -18.603 1.987 1.00 12.41 O ATOM 327 OE2 GLU A 21 -12.170 -17.125 2.927 1.00 42.41 O1- ATOM 0 H GLU A 21 -12.855 -16.196 -2.054 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.358 -16.332 -0.864 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.638 -18.342 -0.983 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.263 -18.504 0.091 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.010 -15.987 0.740 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.562 -16.606 0.213 1.00 74.01 H new ATOM 334 N ILE A 22 -10.740 -18.451 -3.337 1.00 11.12 N ATOM 335 CA ILE A 22 -10.035 -19.381 -4.210 1.00 52.11 C ATOM 336 C ILE A 22 -9.040 -18.649 -5.104 1.00 5.14 C ATOM 337 O ILE A 22 -8.056 -19.231 -5.561 1.00 62.02 O ATOM 338 CB ILE A 22 -11.015 -20.176 -5.093 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.010 -20.946 -4.224 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.252 -21.127 -6.005 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.456 -20.644 -4.550 1.00 40.42 C ATOM 0 H ILE A 22 -11.686 -18.222 -3.641 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.496 -20.075 -3.564 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.572 -19.475 -5.714 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -11.834 -22.015 -4.345 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.825 -20.709 -3.176 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.957 -21.682 -6.623 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.579 -20.556 -6.645 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.672 -21.824 -5.400 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.106 -21.225 -3.895 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.648 -19.581 -4.402 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.658 -20.908 -5.588 1.00 40.42 H new ATOM 353 N ILE A 23 -9.303 -17.369 -5.348 1.00 13.43 N ATOM 354 CA ILE A 23 -8.429 -16.557 -6.185 1.00 72.34 C ATOM 355 C ILE A 23 -7.065 -16.363 -5.530 1.00 55.40 C ATOM 356 O ILE A 23 -6.030 -16.452 -6.190 1.00 31.34 O ATOM 357 CB ILE A 23 -9.048 -15.177 -6.473 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.449 -15.337 -7.068 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.154 -14.381 -7.413 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.451 -15.953 -8.450 1.00 34.01 C ATOM 0 H ILE A 23 -10.114 -16.873 -4.978 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.305 -17.094 -7.125 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.133 -14.630 -5.534 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.049 -15.957 -6.402 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.929 -14.360 -7.114 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.605 -13.408 -7.607 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.175 -14.242 -6.954 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -8.040 -14.922 -8.352 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.477 -16.036 -8.810 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.878 -15.323 -9.130 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -10.000 -16.944 -8.407 1.00 34.01 H new ATOM 372 N ILE A 24 -7.073 -16.100 -4.227 1.00 51.31 N ATOM 373 CA ILE A 24 -5.837 -15.896 -3.483 1.00 74.21 C ATOM 374 C ILE A 24 -4.865 -17.051 -3.703 1.00 44.54 C ATOM 375 O ILE A 24 -3.667 -16.840 -3.885 1.00 32.23 O ATOM 376 CB ILE A 24 -6.106 -15.750 -1.973 1.00 32.43 C ATOM 377 CG1 ILE A 24 -6.926 -14.487 -1.700 1.00 11.23 C ATOM 378 CG2 ILE A 24 -4.796 -15.714 -1.202 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.335 -14.770 -1.229 1.00 31.23 C ATOM 0 H ILE A 24 -7.921 -16.023 -3.666 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.393 -14.973 -3.857 1.00 74.21 H new ATOM 0 HB ILE A 24 -6.679 -16.614 -1.636 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.414 -13.887 -0.948 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -6.969 -13.888 -2.610 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.003 -15.611 -0.137 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.246 -16.639 -1.376 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.198 -14.867 -1.539 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -8.857 -13.829 -1.055 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -8.865 -15.343 -1.990 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.301 -15.342 -0.302 1.00 31.23 H new ATOM 391 N GLU A 25 -5.392 -18.272 -3.689 1.00 72.53 N ATOM 392 CA GLU A 25 -4.571 -19.459 -3.890 1.00 43.13 C ATOM 393 C GLU A 25 -3.967 -19.474 -5.291 1.00 2.50 C ATOM 394 O GLU A 25 -2.892 -20.033 -5.510 1.00 34.42 O ATOM 395 CB GLU A 25 -5.402 -20.725 -3.668 1.00 73.04 C ATOM 396 CG GLU A 25 -6.002 -20.822 -2.276 1.00 44.41 C ATOM 397 CD GLU A 25 -6.842 -22.071 -2.088 1.00 73.01 C ATOM 398 OE1 GLU A 25 -6.616 -23.053 -2.827 1.00 32.20 O ATOM 399 OE2 GLU A 25 -7.724 -22.066 -1.205 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.383 -18.464 -3.541 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.759 -19.433 -3.164 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.206 -20.756 -4.404 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.774 -21.598 -3.845 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.200 -20.813 -1.538 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -6.618 -19.943 -2.088 1.00 44.41 H new ATOM 406 N ALA A 26 -4.666 -18.855 -6.237 1.00 1.41 N ATOM 407 CA ALA A 26 -4.199 -18.794 -7.616 1.00 44.13 C ATOM 408 C ALA A 26 -2.877 -18.039 -7.716 1.00 13.13 C ATOM 409 O ALA A 26 -1.915 -18.531 -8.306 1.00 24.00 O ATOM 410 CB ALA A 26 -5.250 -18.142 -8.501 1.00 14.40 C ATOM 0 H ALA A 26 -5.558 -18.389 -6.073 1.00 1.41 H new ATOM 0 HA ALA A 26 -4.031 -19.814 -7.962 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.887 -18.103 -9.528 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.170 -18.725 -8.463 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.447 -17.130 -8.147 1.00 14.40 H new ATOM 416 N ILE A 27 -2.840 -16.844 -7.138 1.00 44.10 N ATOM 417 CA ILE A 27 -1.637 -16.022 -7.162 1.00 13.45 C ATOM 418 C ILE A 27 -0.463 -16.747 -6.511 1.00 13.44 C ATOM 419 O ILE A 27 0.653 -16.733 -7.031 1.00 54.42 O ATOM 420 CB ILE A 27 -1.858 -14.678 -6.444 1.00 20.00 C ATOM 421 CG1 ILE A 27 -2.957 -13.875 -7.145 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.562 -13.883 -6.397 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.299 -13.959 -6.453 1.00 74.33 C ATOM 0 H ILE A 27 -3.629 -16.423 -6.647 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.407 -15.830 -8.210 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.176 -14.878 -5.421 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.652 -12.830 -7.203 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.062 -14.234 -8.169 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.735 -12.936 -5.886 1.00 13.51 H new ATOM 0 HG22 ILE A 27 0.195 -14.453 -5.858 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.216 -13.690 -7.413 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.030 -13.367 -7.004 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.626 -14.998 -6.418 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.210 -13.573 -5.438 1.00 74.33 H new ATOM 435 N GLU A 28 -0.723 -17.379 -5.370 1.00 54.21 N ATOM 436 CA GLU A 28 0.312 -18.110 -4.649 1.00 54.51 C ATOM 437 C GLU A 28 1.013 -19.107 -5.566 1.00 43.41 C ATOM 438 O GLU A 28 2.234 -19.074 -5.717 1.00 43.02 O ATOM 439 CB GLU A 28 -0.293 -18.841 -3.449 1.00 64.12 C ATOM 440 CG GLU A 28 -0.905 -17.911 -2.414 1.00 40.22 C ATOM 441 CD GLU A 28 -1.632 -18.660 -1.315 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.023 -19.569 -0.712 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -2.811 -18.337 -1.057 1.00 63.03 O ATOM 0 H GLU A 28 -1.641 -17.399 -4.926 1.00 54.21 H new ATOM 0 HA GLU A 28 1.049 -17.390 -4.293 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.059 -19.531 -3.803 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.481 -19.442 -2.972 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.120 -17.298 -1.972 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.600 -17.232 -2.907 1.00 40.22 H new ATOM 450 N ALA A 29 0.231 -19.993 -6.176 1.00 30.04 N ATOM 451 CA ALA A 29 0.776 -20.999 -7.079 1.00 12.54 C ATOM 452 C ALA A 29 1.657 -20.359 -8.146 1.00 13.03 C ATOM 453 O ALA A 29 2.608 -20.972 -8.629 1.00 61.31 O ATOM 454 CB ALA A 29 -0.349 -21.792 -7.726 1.00 31.13 C ATOM 0 H ALA A 29 -0.782 -20.034 -6.061 1.00 30.04 H new ATOM 0 HA ALA A 29 1.395 -21.679 -6.494 1.00 12.54 H new ATOM 0 HB1 ALA A 29 0.073 -22.540 -8.398 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -0.936 -22.288 -6.953 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -0.991 -21.117 -8.292 1.00 31.13 H new ATOM 460 N ALA A 30 1.333 -19.122 -8.511 1.00 53.23 N ATOM 461 CA ALA A 30 2.095 -18.399 -9.521 1.00 23.45 C ATOM 462 C ALA A 30 3.442 -17.942 -8.969 1.00 61.02 C ATOM 463 O ALA A 30 4.475 -18.091 -9.623 1.00 51.44 O ATOM 464 CB ALA A 30 1.299 -17.207 -10.030 1.00 32.41 C ATOM 0 H ALA A 30 0.548 -18.600 -8.122 1.00 53.23 H new ATOM 0 HA ALA A 30 2.284 -19.077 -10.353 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.881 -16.676 -10.784 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.365 -17.555 -10.471 1.00 32.41 H new ATOM 0 HB3 ALA A 30 1.080 -16.534 -9.201 1.00 32.41 H new ATOM 470 N LEU A 31 3.422 -17.383 -7.764 1.00 5.35 N ATOM 471 CA LEU A 31 4.642 -16.903 -7.124 1.00 1.23 C ATOM 472 C LEU A 31 5.621 -18.049 -6.890 1.00 21.11 C ATOM 473 O LEU A 31 6.791 -17.965 -7.266 1.00 34.51 O ATOM 474 CB LEU A 31 4.310 -16.221 -5.796 1.00 45.33 C ATOM 475 CG LEU A 31 4.046 -14.716 -5.862 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.258 -13.985 -6.417 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.814 -14.427 -6.707 1.00 43.31 C ATOM 0 H LEU A 31 2.575 -17.251 -7.211 1.00 5.35 H new ATOM 0 HA LEU A 31 5.112 -16.179 -7.790 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.431 -16.706 -5.371 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.135 -16.395 -5.105 1.00 45.33 H new ATOM 0 HG LEU A 31 3.861 -14.355 -4.850 1.00 33.31 H new ATOM 0 HD11 LEU A 31 5.051 -12.916 -6.456 1.00 53.12 H new ATOM 0 HD12 LEU A 31 6.118 -14.165 -5.772 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.475 -14.350 -7.421 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.641 -13.351 -6.743 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.970 -14.803 -7.718 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.947 -14.919 -6.266 1.00 43.31 H new ATOM 489 N ILE A 32 5.135 -19.118 -6.268 1.00 24.45 N ATOM 490 CA ILE A 32 5.966 -20.282 -5.987 1.00 71.03 C ATOM 491 C ILE A 32 6.617 -20.813 -7.259 1.00 24.23 C ATOM 492 O ILE A 32 7.786 -21.198 -7.257 1.00 63.05 O ATOM 493 CB ILE A 32 5.152 -21.411 -5.329 1.00 60.21 C ATOM 494 CG1 ILE A 32 6.029 -22.645 -5.115 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.942 -21.757 -6.185 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.618 -23.480 -3.923 1.00 4.22 C ATOM 0 H ILE A 32 4.170 -19.202 -5.949 1.00 24.45 H new ATOM 0 HA ILE A 32 6.742 -19.955 -5.294 1.00 71.03 H new ATOM 0 HB ILE A 32 4.800 -21.066 -4.357 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.995 -23.265 -6.011 1.00 22.33 H new ATOM 0 HG13 ILE A 32 7.064 -22.327 -4.986 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.375 -22.557 -5.708 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.308 -20.877 -6.292 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.275 -22.086 -7.170 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.284 -24.338 -3.833 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.679 -22.876 -3.017 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.594 -23.828 -4.058 1.00 4.22 H new ATOM 508 N SER A 33 5.851 -20.831 -8.345 1.00 23.51 N ATOM 509 CA SER A 33 6.351 -21.317 -9.626 1.00 62.33 C ATOM 510 C SER A 33 7.462 -20.414 -10.153 1.00 1.44 C ATOM 511 O SER A 33 8.520 -20.889 -10.567 1.00 2.10 O ATOM 512 CB SER A 33 5.214 -21.395 -10.646 1.00 3.21 C ATOM 513 OG SER A 33 5.589 -22.171 -11.770 1.00 24.42 O ATOM 0 H SER A 33 4.881 -20.515 -8.364 1.00 23.51 H new ATOM 0 HA SER A 33 6.760 -22.316 -9.473 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.331 -21.830 -10.178 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.941 -20.390 -10.969 1.00 3.21 H new ATOM 0 HG SER A 33 4.844 -22.207 -12.406 1.00 24.42 H new ATOM 519 N ALA A 34 7.212 -19.109 -10.137 1.00 22.53 N ATOM 520 CA ALA A 34 8.190 -18.138 -10.612 1.00 1.34 C ATOM 521 C ALA A 34 9.538 -18.337 -9.927 1.00 52.14 C ATOM 522 O ALA A 34 10.590 -18.207 -10.554 1.00 62.24 O ATOM 523 CB ALA A 34 7.684 -16.722 -10.382 1.00 23.24 C ATOM 0 H ALA A 34 6.341 -18.700 -9.800 1.00 22.53 H new ATOM 0 HA ALA A 34 8.328 -18.293 -11.682 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.425 -16.008 -10.742 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.749 -16.578 -10.923 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.515 -16.564 -9.317 1.00 23.24 H new ATOM 529 N TYR A 35 9.500 -18.652 -8.636 1.00 60.44 N ATOM 530 CA TYR A 35 10.719 -18.865 -7.866 1.00 42.44 C ATOM 531 C TYR A 35 11.205 -20.305 -8.003 1.00 40.45 C ATOM 532 O TYR A 35 12.389 -20.593 -7.827 1.00 13.24 O ATOM 533 CB TYR A 35 10.479 -18.534 -6.391 1.00 14.41 C ATOM 534 CG TYR A 35 11.665 -18.836 -5.504 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.883 -20.118 -5.014 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.568 -17.840 -5.154 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.966 -20.398 -4.202 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.653 -18.111 -4.343 1.00 13.02 C ATOM 539 CZ TYR A 35 13.847 -19.391 -3.869 1.00 1.20 C ATOM 540 OH TYR A 35 14.927 -19.666 -3.060 1.00 72.42 O ATOM 0 H TYR A 35 8.638 -18.765 -8.102 1.00 60.44 H new ATOM 0 HA TYR A 35 11.489 -18.202 -8.260 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.227 -17.477 -6.300 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.617 -19.098 -6.036 1.00 14.41 H new ATOM 0 HD1 TYR A 35 11.194 -20.909 -5.272 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.419 -16.836 -5.523 1.00 31.21 H new ATOM 0 HE1 TYR A 35 13.121 -21.400 -3.830 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.345 -17.324 -4.082 1.00 13.02 H new ATOM 0 HH TYR A 35 15.572 -18.930 -3.114 1.00 72.42 H new ATOM 550 N LYS A 36 10.282 -21.206 -8.320 1.00 5.13 N ATOM 551 CA LYS A 36 10.614 -22.617 -8.484 1.00 11.15 C ATOM 552 C LYS A 36 11.467 -22.834 -9.729 1.00 32.14 C ATOM 553 O LYS A 36 12.505 -23.495 -9.675 1.00 62.43 O ATOM 554 CB LYS A 36 9.337 -23.455 -8.576 1.00 64.34 C ATOM 555 CG LYS A 36 9.592 -24.952 -8.595 1.00 20.30 C ATOM 556 CD LYS A 36 8.447 -25.721 -7.954 1.00 1.42 C ATOM 557 CE LYS A 36 8.501 -25.638 -6.437 1.00 45.53 C ATOM 558 NZ LYS A 36 9.150 -26.838 -5.839 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.297 -20.985 -8.469 1.00 5.13 H new ATOM 0 HA LYS A 36 11.187 -22.933 -7.612 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.693 -23.215 -7.730 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.794 -23.176 -9.479 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.725 -25.286 -9.624 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.520 -25.171 -8.066 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.496 -25.322 -8.308 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.490 -26.765 -8.264 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.049 -24.743 -6.141 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.490 -25.537 -6.042 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 9.168 -26.743 -4.803 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 8.613 -27.689 -6.100 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 10.123 -26.920 -6.196 1.00 21.13 H new ATOM 572 N ARG A 37 11.025 -22.272 -10.850 1.00 74.25 N ATOM 573 CA ARG A 37 11.749 -22.405 -12.109 1.00 53.51 C ATOM 574 C ARG A 37 13.179 -21.891 -11.969 1.00 13.30 C ATOM 575 O ARG A 37 14.064 -22.275 -12.733 1.00 74.35 O ATOM 576 CB ARG A 37 11.028 -21.641 -13.220 1.00 25.33 C ATOM 577 CG ARG A 37 10.717 -20.195 -12.862 1.00 1.44 C ATOM 578 CD ARG A 37 11.818 -19.257 -13.332 1.00 4.13 C ATOM 579 NE ARG A 37 11.751 -19.011 -14.769 1.00 22.22 N ATOM 580 CZ ARG A 37 12.597 -18.220 -15.420 1.00 71.43 C ATOM 581 NH1 ARG A 37 13.570 -17.602 -14.764 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 12.471 -18.044 -16.729 1.00 43.33 N ATOM 0 H ARG A 37 10.169 -21.720 -10.912 1.00 74.25 H new ATOM 0 HA ARG A 37 11.784 -23.463 -12.369 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.642 -21.660 -14.120 1.00 25.33 H new ATOM 0 HB3 ARG A 37 10.097 -22.156 -13.459 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.770 -19.902 -13.315 1.00 1.44 H new ATOM 0 HG3 ARG A 37 10.596 -20.104 -11.783 1.00 1.44 H new ATOM 0 HD2 ARG A 37 11.740 -18.310 -12.798 1.00 4.13 H new ATOM 0 HD3 ARG A 37 12.789 -19.684 -13.082 1.00 4.13 H new ATOM 0 HE ARG A 37 11.014 -19.472 -15.303 1.00 22.22 H new ATOM 0 HH11 ARG A 37 13.670 -17.733 -13.757 1.00 64.15 H new ATOM 0 HH12 ARG A 37 14.218 -16.995 -15.266 1.00 64.15 H new ATOM 0 HH21 ARG A 37 11.724 -18.516 -17.237 1.00 43.33 H new ATOM 0 HH22 ARG A 37 13.122 -17.436 -17.227 1.00 43.33 H new ATOM 596 N ASN A 38 13.397 -21.020 -10.989 1.00 64.14 N ATOM 597 CA ASN A 38 14.719 -20.454 -10.750 1.00 2.44 C ATOM 598 C ASN A 38 15.690 -21.524 -10.260 1.00 62.25 C ATOM 599 O ASN A 38 16.792 -21.667 -10.790 1.00 62.41 O ATOM 600 CB ASN A 38 14.634 -19.319 -9.727 1.00 14.03 C ATOM 601 CG ASN A 38 14.841 -17.955 -10.357 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.964 -17.577 -10.690 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.755 -17.209 -10.524 1.00 43.51 N ATOM 0 H ASN A 38 12.675 -20.691 -10.348 1.00 64.14 H new ATOM 0 HA ASN A 38 15.092 -20.056 -11.694 1.00 2.44 H new ATOM 0 HB2 ASN A 38 13.660 -19.346 -9.238 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.384 -19.476 -8.952 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.832 -16.282 -10.943 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.844 -17.563 -10.233 1.00 43.51 H new ATOM 610 N PHE A 39 15.273 -22.273 -9.244 1.00 74.50 N ATOM 611 CA PHE A 39 16.104 -23.329 -8.682 1.00 13.22 C ATOM 612 C PHE A 39 15.249 -24.374 -7.971 1.00 13.23 C ATOM 613 O PHE A 39 15.279 -24.486 -6.745 1.00 12.23 O ATOM 614 CB PHE A 39 17.125 -22.739 -7.707 1.00 22.33 C ATOM 615 CG PHE A 39 18.320 -22.132 -8.384 1.00 63.55 C ATOM 616 CD1 PHE A 39 19.358 -22.933 -8.834 1.00 54.30 C ATOM 617 CD2 PHE A 39 18.406 -20.762 -8.569 1.00 1.45 C ATOM 618 CE1 PHE A 39 20.459 -22.377 -9.460 1.00 20.44 C ATOM 619 CE2 PHE A 39 19.504 -20.201 -9.193 1.00 73.20 C ATOM 620 CZ PHE A 39 20.532 -21.010 -9.637 1.00 41.30 C ATOM 0 H PHE A 39 14.364 -22.167 -8.794 1.00 74.50 H new ATOM 0 HA PHE A 39 16.633 -23.815 -9.501 1.00 13.22 H new ATOM 0 HB2 PHE A 39 16.637 -21.978 -7.099 1.00 22.33 H new ATOM 0 HB3 PHE A 39 17.461 -23.522 -7.028 1.00 22.33 H new ATOM 0 HD1 PHE A 39 19.306 -24.003 -8.694 1.00 54.30 H new ATOM 0 HD2 PHE A 39 17.606 -20.125 -8.222 1.00 1.45 H new ATOM 0 HE1 PHE A 39 21.260 -23.011 -9.810 1.00 20.44 H new ATOM 0 HE2 PHE A 39 19.558 -19.132 -9.333 1.00 73.20 H new ATOM 0 HZ PHE A 39 21.392 -20.573 -10.122 1.00 41.30 H new ATOM 630 N ASN A 40 14.487 -25.135 -8.748 1.00 5.11 N ATOM 631 CA ASN A 40 13.622 -26.171 -8.194 1.00 31.44 C ATOM 632 C ASN A 40 14.433 -27.399 -7.791 1.00 13.21 C ATOM 633 O ASN A 40 14.259 -27.937 -6.699 1.00 10.21 O ATOM 634 CB ASN A 40 12.547 -26.565 -9.209 1.00 21.11 C ATOM 635 CG ASN A 40 13.139 -27.064 -10.513 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.392 -28.258 -10.675 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.363 -26.151 -11.450 1.00 33.42 N ATOM 0 H ASN A 40 14.450 -25.054 -9.764 1.00 5.11 H new ATOM 0 HA ASN A 40 13.140 -25.768 -7.303 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.913 -27.341 -8.780 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.907 -25.705 -9.409 1.00 21.11 H new ATOM 0 HD21 ASN A 40 13.760 -26.428 -12.348 1.00 33.42 H new ATOM 0 HD22 ASN A 40 13.138 -25.172 -11.272 1.00 33.42 H new ATOM 644 N GLN A 41 15.317 -27.835 -8.682 1.00 42.41 N ATOM 645 CA GLN A 41 16.154 -29.000 -8.420 1.00 32.21 C ATOM 646 C GLN A 41 17.113 -28.732 -7.265 1.00 10.23 C ATOM 647 O GLN A 41 17.683 -29.659 -6.690 1.00 2.54 O ATOM 648 CB GLN A 41 16.941 -29.382 -9.675 1.00 24.30 C ATOM 649 CG GLN A 41 17.924 -30.520 -9.453 1.00 23.03 C ATOM 650 CD GLN A 41 18.336 -31.196 -10.746 1.00 60.23 C ATOM 651 OE1 GLN A 41 17.531 -31.860 -11.396 1.00 25.31 O ATOM 652 NE2 GLN A 41 19.598 -31.027 -11.125 1.00 53.52 N ATOM 0 H GLN A 41 15.472 -27.400 -9.591 1.00 42.41 H new ATOM 0 HA GLN A 41 15.503 -29.829 -8.143 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.241 -29.666 -10.461 1.00 24.30 H new ATOM 0 HB3 GLN A 41 17.485 -28.508 -10.033 1.00 24.30 H new ATOM 0 HG2 GLN A 41 18.811 -30.136 -8.950 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.475 -31.258 -8.788 1.00 23.03 H new ATOM 0 HE21 GLN A 41 20.231 -30.467 -10.554 1.00 53.52 H new ATOM 0 HE22 GLN A 41 19.934 -31.457 -11.987 1.00 53.52 H new ATOM 661 N ALA A 42 17.289 -27.456 -6.932 1.00 53.10 N ATOM 662 CA ALA A 42 18.178 -27.067 -5.844 1.00 45.11 C ATOM 663 C ALA A 42 17.508 -27.263 -4.490 1.00 30.22 C ATOM 664 O ALA A 42 18.151 -27.669 -3.522 1.00 53.42 O ATOM 665 CB ALA A 42 18.616 -25.619 -6.015 1.00 52.01 C ATOM 0 H ALA A 42 16.828 -26.676 -7.400 1.00 53.10 H new ATOM 0 HA ALA A 42 19.058 -27.709 -5.879 1.00 45.11 H new ATOM 0 HB1 ALA A 42 19.279 -25.340 -5.196 1.00 52.01 H new ATOM 0 HB2 ALA A 42 19.143 -25.508 -6.963 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.740 -24.971 -6.009 1.00 52.01 H new ATOM 671 N GLN A 43 16.212 -26.972 -4.428 1.00 44.33 N ATOM 672 CA GLN A 43 15.456 -27.116 -3.189 1.00 63.21 C ATOM 673 C GLN A 43 13.999 -26.713 -3.391 1.00 62.24 C ATOM 674 O GLN A 43 13.672 -25.976 -4.320 1.00 74.55 O ATOM 675 CB GLN A 43 16.083 -26.266 -2.082 1.00 72.12 C ATOM 676 CG GLN A 43 16.138 -26.967 -0.734 1.00 43.55 C ATOM 677 CD GLN A 43 16.376 -26.006 0.414 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.297 -25.524 1.016 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.520 -25.700 0.755 1.00 50.05 N flip ATOM 0 H GLN A 43 15.664 -26.636 -5.220 1.00 44.33 H new ATOM 0 HA GLN A 43 15.487 -28.165 -2.894 1.00 63.21 H new ATOM 0 HB2 GLN A 43 17.094 -25.987 -2.378 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.514 -25.342 -1.979 1.00 72.12 H new ATOM 0 HG2 GLN A 43 15.202 -27.501 -0.568 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.932 -27.713 -0.749 1.00 43.55 H new ATOM 0 HE21 GLN A 43 18.322 -26.095 0.263 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.665 -25.052 1.529 1.00 50.05 H new ATOM 688 N ASN A 44 13.128 -27.204 -2.515 1.00 61.24 N ATOM 689 CA ASN A 44 11.705 -26.896 -2.598 1.00 5.03 C ATOM 690 C ASN A 44 11.426 -25.478 -2.109 1.00 45.14 C ATOM 691 O ASN A 44 12.348 -24.704 -1.854 1.00 15.42 O ATOM 692 CB ASN A 44 10.895 -27.901 -1.776 1.00 2.54 C ATOM 693 CG ASN A 44 11.266 -27.876 -0.306 1.00 33.50 C ATOM 694 OD1 ASN A 44 12.039 -27.025 0.137 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.716 -28.812 0.459 1.00 2.43 N ATOM 0 H ASN A 44 13.383 -27.816 -1.740 1.00 61.24 H new ATOM 0 HA ASN A 44 11.404 -26.966 -3.643 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.833 -27.682 -1.884 1.00 2.54 H new ATOM 0 HB3 ASN A 44 11.056 -28.904 -2.172 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.929 -28.846 1.456 1.00 2.43 H new ATOM 0 HD22 ASN A 44 10.081 -29.497 0.050 1.00 2.43 H new ATOM 702 N VAL A 45 10.145 -25.145 -1.978 1.00 44.30 N ATOM 703 CA VAL A 45 9.743 -23.821 -1.517 1.00 71.11 C ATOM 704 C VAL A 45 8.235 -23.745 -1.313 1.00 24.13 C ATOM 705 O VAL A 45 7.480 -24.534 -1.883 1.00 24.45 O ATOM 706 CB VAL A 45 10.172 -22.726 -2.512 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.305 -22.770 -3.761 1.00 23.33 C ATOM 708 CG2 VAL A 45 10.107 -21.356 -1.855 1.00 21.34 C ATOM 0 H VAL A 45 9.369 -25.774 -2.185 1.00 44.30 H new ATOM 0 HA VAL A 45 10.244 -23.652 -0.564 1.00 71.11 H new ATOM 0 HB VAL A 45 11.204 -22.913 -2.809 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.623 -21.989 -4.452 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.407 -23.743 -4.241 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.263 -22.609 -3.486 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.413 -20.594 -2.572 1.00 21.34 H new ATOM 0 HG22 VAL A 45 9.086 -21.157 -1.528 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.775 -21.333 -0.994 1.00 21.34 H new ATOM 718 N ARG A 46 7.800 -22.790 -0.498 1.00 33.25 N ATOM 719 CA ARG A 46 6.381 -22.610 -0.218 1.00 13.25 C ATOM 720 C ARG A 46 6.051 -21.136 0.001 1.00 35.22 C ATOM 721 O ARG A 46 6.361 -20.569 1.048 1.00 45.34 O ATOM 722 CB ARG A 46 5.975 -23.423 1.013 1.00 60.23 C ATOM 723 CG ARG A 46 6.040 -24.926 0.800 1.00 34.50 C ATOM 724 CD ARG A 46 4.953 -25.402 -0.152 1.00 54.54 C ATOM 725 NE ARG A 46 3.615 -25.143 0.372 1.00 74.02 N ATOM 726 CZ ARG A 46 2.504 -25.304 -0.337 1.00 73.42 C ATOM 727 NH1 ARG A 46 2.571 -25.721 -1.593 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 1.323 -25.048 0.211 1.00 42.44 N ATOM 0 H ARG A 46 8.411 -22.128 -0.019 1.00 33.25 H new ATOM 0 HA ARG A 46 5.819 -22.965 -1.082 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.625 -23.154 1.846 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.960 -23.149 1.300 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.018 -25.196 0.401 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.935 -25.435 1.758 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.069 -24.902 -1.114 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.071 -26.470 -0.332 1.00 54.54 H new ATOM 0 HE ARG A 46 3.529 -24.821 1.336 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.477 -25.919 -2.017 1.00 53.11 H new ATOM 0 HH12 ARG A 46 1.716 -25.844 -2.136 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.268 -24.727 1.178 1.00 42.44 H new ATOM 0 HH22 ARG A 46 0.470 -25.172 -0.334 1.00 42.44 H new ATOM 742 N VAL A 47 5.422 -20.522 -0.996 1.00 13.15 N ATOM 743 CA VAL A 47 5.050 -19.115 -0.913 1.00 40.55 C ATOM 744 C VAL A 47 3.667 -18.947 -0.292 1.00 21.11 C ATOM 745 O VAL A 47 2.807 -19.818 -0.423 1.00 40.40 O ATOM 746 CB VAL A 47 5.060 -18.449 -2.302 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.861 -16.947 -2.175 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.355 -18.764 -3.034 1.00 3.11 C ATOM 0 H VAL A 47 5.159 -20.977 -1.870 1.00 13.15 H new ATOM 0 HA VAL A 47 5.792 -18.629 -0.279 1.00 40.55 H new ATOM 0 HB VAL A 47 4.233 -18.853 -2.886 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.871 -16.494 -3.166 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.904 -16.746 -1.694 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.665 -16.523 -1.574 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.345 -18.286 -4.013 1.00 3.11 H new ATOM 0 HG22 VAL A 47 7.200 -18.390 -2.456 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.450 -19.843 -3.158 1.00 3.11 H new ATOM 758 N ASP A 48 3.461 -17.823 0.386 1.00 31.11 N ATOM 759 CA ASP A 48 2.183 -17.540 1.027 1.00 72.44 C ATOM 760 C ASP A 48 1.714 -16.125 0.703 1.00 70.23 C ATOM 761 O ASP A 48 2.413 -15.149 0.981 1.00 21.40 O ATOM 762 CB ASP A 48 2.298 -17.719 2.542 1.00 33.25 C ATOM 763 CG ASP A 48 0.945 -17.848 3.213 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.094 -18.598 2.693 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.736 -17.196 4.259 1.00 32.52 O1- ATOM 0 H ASP A 48 4.163 -17.093 0.506 1.00 31.11 H new ATOM 0 HA ASP A 48 1.446 -18.244 0.641 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.893 -18.607 2.756 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.831 -16.868 2.966 1.00 33.25 H new ATOM 770 N LEU A 49 0.529 -16.021 0.113 1.00 24.33 N ATOM 771 CA LEU A 49 -0.034 -14.725 -0.250 1.00 74.30 C ATOM 772 C LEU A 49 -0.931 -14.189 0.861 1.00 41.23 C ATOM 773 O LEU A 49 -1.903 -14.834 1.252 1.00 13.24 O ATOM 774 CB LEU A 49 -0.830 -14.839 -1.552 1.00 25.14 C ATOM 775 CG LEU A 49 -1.432 -13.539 -2.086 1.00 4.23 C ATOM 776 CD1 LEU A 49 -2.720 -13.206 -1.351 1.00 52.13 C ATOM 777 CD2 LEU A 49 -0.432 -12.398 -1.961 1.00 21.20 C ATOM 0 H LEU A 49 -0.061 -16.818 -0.124 1.00 24.33 H new ATOM 0 HA LEU A 49 0.791 -14.027 -0.394 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.177 -15.255 -2.319 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.638 -15.554 -1.399 1.00 25.14 H new ATOM 0 HG LEU A 49 -1.666 -13.676 -3.142 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -3.134 -12.278 -1.745 1.00 52.13 H new ATOM 0 HD12 LEU A 49 -3.439 -14.013 -1.493 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -2.512 -13.088 -0.288 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -0.877 -11.480 -2.346 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -0.166 -12.261 -0.913 1.00 21.20 H new ATOM 0 HD23 LEU A 49 0.464 -12.635 -2.535 1.00 21.20 H new ATOM 789 N ASN A 50 -0.597 -13.006 1.365 1.00 2.14 N ATOM 790 CA ASN A 50 -1.373 -12.383 2.431 1.00 51.24 C ATOM 791 C ASN A 50 -2.304 -11.311 1.872 1.00 73.32 C ATOM 792 O ASN A 50 -1.889 -10.177 1.634 1.00 30.13 O ATOM 793 CB ASN A 50 -0.441 -11.768 3.477 1.00 23.52 C ATOM 794 CG ASN A 50 0.089 -12.798 4.455 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.122 -13.993 4.159 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.507 -12.339 5.630 1.00 44.50 N ATOM 0 H ASN A 50 0.206 -12.459 1.053 1.00 2.14 H new ATOM 0 HA ASN A 50 -1.979 -13.156 2.903 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.396 -11.284 2.974 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -0.976 -10.992 4.025 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.873 -12.985 6.329 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.461 -11.340 5.833 1.00 44.50 H new ATOM 803 N ARG A 51 -3.564 -11.679 1.664 1.00 0.13 N ATOM 804 CA ARG A 51 -4.554 -10.750 1.131 1.00 51.01 C ATOM 805 C ARG A 51 -4.887 -9.667 2.153 1.00 31.24 C ATOM 806 O ARG A 51 -5.539 -8.675 1.829 1.00 2.24 O ATOM 807 CB ARG A 51 -5.827 -11.500 0.734 1.00 21.12 C ATOM 808 CG ARG A 51 -6.405 -12.354 1.850 1.00 33.14 C ATOM 809 CD ARG A 51 -7.925 -12.335 1.835 1.00 3.53 C ATOM 810 NE ARG A 51 -8.487 -12.433 3.180 1.00 0.04 N ATOM 811 CZ ARG A 51 -8.431 -13.534 3.921 1.00 72.34 C ATOM 812 NH1 ARG A 51 -7.841 -14.625 3.450 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -8.965 -13.546 5.135 1.00 73.32 N ATOM 0 H ARG A 51 -3.924 -12.614 1.856 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.130 -10.274 0.247 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.579 -10.778 0.414 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.611 -12.137 -0.124 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.052 -13.380 1.745 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.045 -11.990 2.812 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.271 -11.415 1.364 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.292 -13.162 1.228 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.947 -11.611 3.571 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -7.429 -14.620 2.517 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -7.799 -15.469 4.021 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -9.419 -12.709 5.501 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -8.921 -14.392 5.703 1.00 73.32 H new ATOM 827 N GLU A 52 -4.436 -9.865 3.387 1.00 34.15 N ATOM 828 CA GLU A 52 -4.688 -8.906 4.456 1.00 24.22 C ATOM 829 C GLU A 52 -3.918 -7.610 4.216 1.00 0.20 C ATOM 830 O GLU A 52 -4.467 -6.515 4.348 1.00 22.35 O ATOM 831 CB GLU A 52 -4.297 -9.502 5.810 1.00 52.12 C ATOM 832 CG GLU A 52 -2.852 -9.968 5.875 1.00 75.31 C ATOM 833 CD GLU A 52 -2.547 -10.750 7.137 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.450 -11.456 7.631 1.00 11.41 O ATOM 835 OE2 GLU A 52 -1.403 -10.654 7.632 1.00 52.33 O1- ATOM 0 H GLU A 52 -3.894 -10.681 3.672 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.754 -8.679 4.462 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.465 -8.757 6.588 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -4.952 -10.345 6.029 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.635 -10.589 5.006 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.192 -9.102 5.820 1.00 75.31 H new ATOM 842 N THR A 53 -2.644 -7.743 3.864 1.00 23.40 N ATOM 843 CA THR A 53 -1.798 -6.584 3.608 1.00 34.31 C ATOM 844 C THR A 53 -1.126 -6.685 2.243 1.00 54.44 C ATOM 845 O THR A 53 -0.107 -6.041 1.992 1.00 31.00 O ATOM 846 CB THR A 53 -0.714 -6.429 4.691 1.00 73.11 C ATOM 847 OG1 THR A 53 0.289 -7.438 4.528 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.320 -6.531 6.082 1.00 32.42 C ATOM 0 H THR A 53 -2.175 -8.641 3.750 1.00 23.40 H new ATOM 0 HA THR A 53 -2.447 -5.709 3.627 1.00 34.31 H new ATOM 0 HB THR A 53 -0.260 -5.444 4.581 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.975 -7.332 5.219 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.535 -6.419 6.830 1.00 32.42 H new ATOM 0 HG22 THR A 53 -2.063 -5.744 6.214 1.00 32.42 H new ATOM 0 HG23 THR A 53 -1.797 -7.504 6.200 1.00 32.42 H new ATOM 856 N GLY A 54 -1.703 -7.497 1.362 1.00 23.41 N ATOM 857 CA GLY A 54 -1.147 -7.666 0.033 1.00 44.31 C ATOM 858 C GLY A 54 0.328 -8.019 0.063 1.00 5.13 C ATOM 859 O GLY A 54 1.066 -7.712 -0.874 1.00 74.51 O ATOM 0 H GLY A 54 -2.546 -8.041 1.546 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.695 -8.450 -0.490 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.286 -6.747 -0.536 1.00 44.31 H new ATOM 863 N SER A 55 0.759 -8.664 1.142 1.00 33.40 N ATOM 864 CA SER A 55 2.156 -9.054 1.292 1.00 75.11 C ATOM 865 C SER A 55 2.363 -10.506 0.873 1.00 63.23 C ATOM 866 O SER A 55 1.404 -11.226 0.598 1.00 45.55 O ATOM 867 CB SER A 55 2.608 -8.860 2.741 1.00 55.25 C ATOM 868 OG SER A 55 2.548 -7.495 3.117 1.00 71.01 O ATOM 0 H SER A 55 0.161 -8.928 1.925 1.00 33.40 H new ATOM 0 HA SER A 55 2.757 -8.418 0.642 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.976 -9.451 3.404 1.00 55.25 H new ATOM 0 HB3 SER A 55 3.627 -9.228 2.860 1.00 55.25 H new ATOM 0 HG SER A 55 1.631 -7.267 3.377 1.00 71.01 H new ATOM 874 N ILE A 56 3.623 -10.928 0.827 1.00 3.53 N ATOM 875 CA ILE A 56 3.956 -12.294 0.441 1.00 74.13 C ATOM 876 C ILE A 56 5.199 -12.783 1.176 1.00 0.40 C ATOM 877 O ILE A 56 6.170 -12.043 1.338 1.00 42.33 O ATOM 878 CB ILE A 56 4.191 -12.408 -1.076 1.00 73.52 C ATOM 879 CG1 ILE A 56 4.164 -13.876 -1.508 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.516 -11.763 -1.456 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.812 -14.333 -2.009 1.00 3.04 C ATOM 0 H ILE A 56 4.429 -10.344 1.052 1.00 3.53 H new ATOM 0 HA ILE A 56 3.105 -12.918 0.716 1.00 74.13 H new ATOM 0 HB ILE A 56 3.390 -11.881 -1.595 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.904 -14.029 -2.293 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.460 -14.500 -0.665 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.668 -11.851 -2.532 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.501 -10.709 -1.177 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.329 -12.266 -0.932 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.867 -15.383 -2.298 1.00 3.04 H new ATOM 0 HD12 ILE A 56 2.071 -14.212 -1.219 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.522 -13.734 -2.872 1.00 3.04 H new ATOM 893 N ARG A 57 5.163 -14.036 1.620 1.00 32.14 N ATOM 894 CA ARG A 57 6.286 -14.626 2.337 1.00 64.45 C ATOM 895 C ARG A 57 6.689 -15.960 1.715 1.00 32.01 C ATOM 896 O ARG A 57 5.851 -16.836 1.504 1.00 32.22 O ATOM 897 CB ARG A 57 5.930 -14.825 3.811 1.00 61.04 C ATOM 898 CG ARG A 57 5.912 -13.535 4.613 1.00 70.51 C ATOM 899 CD ARG A 57 7.285 -12.882 4.648 1.00 15.33 C ATOM 900 NE ARG A 57 7.472 -12.063 5.843 1.00 71.31 N ATOM 901 CZ ARG A 57 8.558 -11.335 6.072 1.00 72.11 C ATOM 902 NH1 ARG A 57 9.551 -11.323 5.192 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.655 -10.615 7.183 1.00 34.43 N ATOM 0 H ARG A 57 4.367 -14.662 1.495 1.00 32.14 H new ATOM 0 HA ARG A 57 7.131 -13.941 2.264 1.00 64.45 H new ATOM 0 HB2 ARG A 57 4.951 -15.298 3.879 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.648 -15.512 4.260 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.190 -12.844 4.177 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.580 -13.742 5.630 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.054 -13.654 4.613 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.415 -12.263 3.760 1.00 15.33 H new ATOM 0 HE ARG A 57 6.727 -12.050 6.540 1.00 71.31 H new ATOM 0 HH11 ARG A 57 9.481 -11.874 4.337 1.00 34.40 H new ATOM 0 HH12 ARG A 57 10.384 -10.763 5.371 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.894 -10.621 7.862 1.00 34.43 H new ATOM 0 HH22 ARG A 57 9.490 -10.056 7.357 1.00 34.43 H new ATOM 917 N VAL A 58 7.978 -16.105 1.422 1.00 42.34 N ATOM 918 CA VAL A 58 8.492 -17.332 0.824 1.00 43.54 C ATOM 919 C VAL A 58 9.370 -18.096 1.808 1.00 10.15 C ATOM 920 O VAL A 58 10.417 -17.606 2.233 1.00 73.04 O ATOM 921 CB VAL A 58 9.305 -17.037 -0.451 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.483 -18.302 -1.275 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.631 -15.946 -1.271 1.00 4.35 C ATOM 0 H VAL A 58 8.685 -15.389 1.589 1.00 42.34 H new ATOM 0 HA VAL A 58 7.628 -17.943 0.562 1.00 43.54 H new ATOM 0 HB VAL A 58 10.293 -16.682 -0.158 1.00 23.50 H new ATOM 0 HG11 VAL A 58 10.060 -18.074 -2.172 1.00 55.51 H new ATOM 0 HG12 VAL A 58 10.012 -19.050 -0.684 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.506 -18.690 -1.561 1.00 55.51 H new ATOM 0 HG21 VAL A 58 9.218 -15.750 -2.168 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.630 -16.271 -1.556 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.561 -15.035 -0.677 1.00 4.35 H new ATOM 933 N PHE A 59 8.938 -19.300 2.167 1.00 1.31 N ATOM 934 CA PHE A 59 9.685 -20.134 3.102 1.00 44.44 C ATOM 935 C PHE A 59 10.103 -21.446 2.447 1.00 1.24 C ATOM 936 O PHE A 59 9.411 -21.963 1.570 1.00 3.23 O ATOM 937 CB PHE A 59 8.845 -20.417 4.348 1.00 43.13 C ATOM 938 CG PHE A 59 8.360 -19.176 5.040 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.244 -18.358 5.725 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.019 -18.827 5.006 1.00 45.01 C ATOM 941 CE1 PHE A 59 8.799 -17.215 6.362 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.569 -17.685 5.642 1.00 52.11 C ATOM 943 CZ PHE A 59 7.460 -16.878 6.320 1.00 33.22 C ATOM 0 H PHE A 59 8.074 -19.721 1.825 1.00 1.31 H new ATOM 0 HA PHE A 59 10.585 -19.593 3.394 1.00 44.44 H new ATOM 0 HB2 PHE A 59 7.986 -21.025 4.066 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.437 -21.006 5.049 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.292 -18.616 5.762 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.317 -19.455 4.476 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.498 -16.585 6.893 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.521 -17.425 5.608 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.111 -15.985 6.817 1.00 33.22 H new ATOM 953 N ALA A 60 11.241 -21.980 2.878 1.00 64.33 N ATOM 954 CA ALA A 60 11.752 -23.232 2.335 1.00 61.55 C ATOM 955 C ALA A 60 11.548 -24.380 3.317 1.00 45.11 C ATOM 956 O ALA A 60 11.984 -24.311 4.466 1.00 31.21 O ATOM 957 CB ALA A 60 13.226 -23.093 1.981 1.00 21.41 C ATOM 0 H ALA A 60 11.827 -21.564 3.602 1.00 64.33 H new ATOM 0 HA ALA A 60 11.192 -23.460 1.428 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.594 -24.036 1.577 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.349 -22.307 1.236 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.793 -22.837 2.876 1.00 21.41 H new ATOM 963 N ARG A 61 10.881 -25.435 2.859 1.00 41.23 N ATOM 964 CA ARG A 61 10.617 -26.597 3.698 1.00 72.14 C ATOM 965 C ARG A 61 11.774 -27.590 3.631 1.00 20.13 C ATOM 966 O ARG A 61 12.260 -27.921 2.549 1.00 1.01 O ATOM 967 CB ARG A 61 9.318 -27.281 3.267 1.00 64.24 C ATOM 968 CG ARG A 61 8.556 -27.919 4.417 1.00 32.03 C ATOM 969 CD ARG A 61 7.071 -28.032 4.106 1.00 70.43 C ATOM 970 NE ARG A 61 6.829 -28.676 2.818 1.00 4.21 N ATOM 971 CZ ARG A 61 5.668 -28.621 2.176 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.648 -27.953 2.699 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 5.524 -29.234 1.008 1.00 24.30 N ATOM 0 H ARG A 61 10.513 -25.508 1.910 1.00 41.23 H new ATOM 0 HA ARG A 61 10.514 -26.254 4.727 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.676 -26.548 2.779 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.549 -28.046 2.526 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.963 -28.910 4.620 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.696 -27.326 5.321 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.578 -28.601 4.894 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.624 -27.038 4.104 1.00 70.43 H new ATOM 0 HE ARG A 61 7.594 -29.197 2.388 1.00 4.21 H new ATOM 0 HH11 ARG A 61 4.755 -27.480 3.596 1.00 71.04 H new ATOM 0 HH12 ARG A 61 3.757 -27.912 2.204 1.00 71.04 H new ATOM 0 HH21 ARG A 61 6.306 -29.748 0.602 1.00 24.30 H new ATOM 0 HH22 ARG A 61 4.632 -29.191 0.516 1.00 24.30 H new ATOM 987 N LYS A 62 12.211 -28.061 4.794 1.00 10.33 N ATOM 988 CA LYS A 62 13.309 -29.017 4.868 1.00 21.43 C ATOM 989 C LYS A 62 12.922 -30.228 5.710 1.00 75.40 C ATOM 990 O LYS A 62 12.306 -30.089 6.767 1.00 2.42 O ATOM 991 CB LYS A 62 14.554 -28.349 5.459 1.00 43.22 C ATOM 992 CG LYS A 62 15.389 -27.603 4.433 1.00 41.54 C ATOM 993 CD LYS A 62 16.146 -26.447 5.066 1.00 43.23 C ATOM 994 CE LYS A 62 17.615 -26.786 5.265 1.00 43.44 C ATOM 995 NZ LYS A 62 18.319 -25.752 6.071 1.00 24.24 N1+ ATOM 0 H LYS A 62 11.821 -27.796 5.699 1.00 10.33 H new ATOM 0 HA LYS A 62 13.530 -29.357 3.856 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.247 -27.653 6.240 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.173 -29.110 5.935 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.095 -28.291 3.968 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.742 -27.226 3.641 1.00 41.54 H new ATOM 0 HD2 LYS A 62 16.058 -25.563 4.434 1.00 43.23 H new ATOM 0 HD3 LYS A 62 15.695 -26.198 6.027 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.700 -27.753 5.761 1.00 43.44 H new ATOM 0 HE3 LYS A 62 18.100 -26.882 4.294 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 18.954 -26.215 6.752 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.875 -25.140 5.441 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 17.621 -25.177 6.584 1.00 24.24 H new ATOM 1009 N ASP A 63 13.286 -31.414 5.235 1.00 23.54 N ATOM 1010 CA ASP A 63 12.977 -32.649 5.945 1.00 42.41 C ATOM 1011 C ASP A 63 13.902 -32.832 7.145 1.00 73.33 C ATOM 1012 O ASP A 63 15.100 -33.067 6.988 1.00 62.32 O ATOM 1013 CB ASP A 63 13.099 -33.848 5.004 1.00 73.01 C ATOM 1014 CG ASP A 63 11.811 -34.641 4.904 1.00 64.14 C ATOM 1015 OD1 ASP A 63 10.822 -34.101 4.365 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 11.791 -35.801 5.366 1.00 40.11 O ATOM 0 H ASP A 63 13.795 -31.546 4.361 1.00 23.54 H new ATOM 0 HA ASP A 63 11.951 -32.584 6.306 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.385 -33.499 4.012 1.00 73.01 H new ATOM 0 HB3 ASP A 63 13.898 -34.501 5.355 1.00 73.01 H new ATOM 1021 N VAL A 64 13.337 -32.721 8.343 1.00 22.25 N ATOM 1022 CA VAL A 64 14.111 -32.874 9.569 1.00 63.30 C ATOM 1023 C VAL A 64 14.552 -34.320 9.764 1.00 51.12 C ATOM 1024 O VAL A 64 13.725 -35.214 9.942 1.00 75.14 O ATOM 1025 CB VAL A 64 13.304 -32.424 10.802 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.132 -32.579 12.068 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.833 -30.987 10.635 1.00 14.04 C ATOM 0 H VAL A 64 12.347 -32.526 8.491 1.00 22.25 H new ATOM 0 HA VAL A 64 14.991 -32.239 9.469 1.00 63.30 H new ATOM 0 HB VAL A 64 12.425 -33.062 10.892 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.545 -32.256 12.928 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.414 -33.625 12.193 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.031 -31.967 11.992 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.265 -30.686 11.515 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.697 -30.332 10.519 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.200 -30.912 9.751 1.00 14.04 H new ATOM 1037 N VAL A 65 15.862 -34.543 9.730 1.00 11.54 N ATOM 1038 CA VAL A 65 16.415 -35.881 9.905 1.00 13.21 C ATOM 1039 C VAL A 65 17.733 -35.836 10.669 1.00 31.21 C ATOM 1040 O VAL A 65 18.442 -34.831 10.644 1.00 25.11 O ATOM 1041 CB VAL A 65 16.642 -36.575 8.550 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.326 -36.737 7.803 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.646 -35.796 7.714 1.00 31.51 C ATOM 0 H VAL A 65 16.560 -33.814 9.583 1.00 11.54 H new ATOM 0 HA VAL A 65 15.686 -36.452 10.480 1.00 13.21 H new ATOM 0 HB VAL A 65 17.050 -37.568 8.736 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.508 -37.230 6.848 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.642 -37.341 8.398 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.884 -35.756 7.627 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.794 -36.301 6.760 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.268 -34.789 7.537 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.596 -35.739 8.246 1.00 31.51 H new ATOM 1053 N ASP A 66 18.055 -36.932 11.348 1.00 62.52 N ATOM 1054 CA ASP A 66 19.290 -37.019 12.118 1.00 23.33 C ATOM 1055 C ASP A 66 20.503 -36.759 11.231 1.00 21.04 C ATOM 1056 O ASP A 66 21.448 -36.083 11.638 1.00 0.24 O ATOM 1057 CB ASP A 66 19.409 -38.394 12.776 1.00 11.32 C ATOM 1058 CG ASP A 66 20.228 -38.356 14.053 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.447 -38.097 13.967 1.00 32.13 O ATOM 1060 OD2 ASP A 66 19.651 -38.586 15.135 1.00 75.33 O1- ATOM 0 H ASP A 66 17.478 -37.772 11.381 1.00 62.52 H new ATOM 0 HA ASP A 66 19.260 -36.254 12.894 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.412 -38.775 12.998 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.867 -39.091 12.074 1.00 11.32 H new ATOM 1065 N GLU A 67 20.471 -37.301 10.018 1.00 15.03 N ATOM 1066 CA GLU A 67 21.570 -37.130 9.075 1.00 31.11 C ATOM 1067 C GLU A 67 21.044 -36.782 7.684 1.00 50.23 C ATOM 1068 O GLU A 67 20.046 -37.341 7.228 1.00 63.43 O ATOM 1069 CB GLU A 67 22.418 -38.400 9.008 1.00 55.42 C ATOM 1070 CG GLU A 67 23.157 -38.707 10.300 1.00 72.25 C ATOM 1071 CD GLU A 67 23.909 -40.023 10.243 1.00 31.21 C ATOM 1072 OE1 GLU A 67 23.253 -41.084 10.305 1.00 71.05 O ATOM 1073 OE2 GLU A 67 25.152 -39.992 10.139 1.00 25.33 O1- ATOM 0 H GLU A 67 19.696 -37.862 9.665 1.00 15.03 H new ATOM 0 HA GLU A 67 22.191 -36.306 9.427 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.775 -39.244 8.758 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.142 -38.301 8.200 1.00 55.42 H new ATOM 0 HG2 GLU A 67 23.859 -37.901 10.513 1.00 72.25 H new ATOM 0 HG3 GLU A 67 22.444 -38.735 11.124 1.00 72.25 H new ATOM 1080 N VAL A 68 21.723 -35.855 7.017 1.00 15.43 N ATOM 1081 CA VAL A 68 21.325 -35.432 5.679 1.00 65.11 C ATOM 1082 C VAL A 68 21.187 -36.629 4.744 1.00 4.00 C ATOM 1083 O VAL A 68 22.165 -37.316 4.450 1.00 42.11 O ATOM 1084 CB VAL A 68 22.340 -34.441 5.080 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.932 -34.047 3.668 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.472 -33.212 5.966 1.00 63.52 C ATOM 0 H VAL A 68 22.551 -35.383 7.380 1.00 15.43 H new ATOM 0 HA VAL A 68 20.359 -34.937 5.776 1.00 65.11 H new ATOM 0 HB VAL A 68 23.312 -34.931 5.029 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.661 -33.346 3.261 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.893 -34.936 3.039 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.949 -33.576 3.691 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.193 -32.523 5.527 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.504 -32.719 6.050 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.814 -33.513 6.956 1.00 63.52 H new ATOM 1096 N TYR A 69 19.966 -36.870 4.278 1.00 32.10 N ATOM 1097 CA TYR A 69 19.698 -37.984 3.377 1.00 32.14 C ATOM 1098 C TYR A 69 19.236 -37.482 2.013 1.00 61.22 C ATOM 1099 O TYR A 69 19.347 -38.187 1.010 1.00 10.20 O ATOM 1100 CB TYR A 69 18.640 -38.911 3.978 1.00 62.24 C ATOM 1101 CG TYR A 69 19.217 -40.011 4.840 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.889 -41.085 4.271 1.00 73.44 C ATOM 1103 CD2 TYR A 69 19.089 -39.976 6.223 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.418 -42.093 5.054 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.616 -40.979 7.015 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.279 -42.035 6.426 1.00 34.24 C ATOM 1107 OH TYR A 69 20.803 -43.037 7.210 1.00 60.13 O ATOM 0 H TYR A 69 19.147 -36.308 4.510 1.00 32.10 H new ATOM 0 HA TYR A 69 20.625 -38.541 3.244 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.947 -38.318 4.576 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.061 -39.360 3.171 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.000 -41.133 3.198 1.00 73.44 H new ATOM 0 HD2 TYR A 69 18.569 -39.151 6.687 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.937 -42.921 4.595 1.00 1.01 H new ATOM 0 HE2 TYR A 69 19.509 -40.936 8.089 1.00 60.10 H new ATOM 0 HH TYR A 69 20.620 -42.844 8.153 1.00 60.13 H new ATOM 1117 N ASP A 70 18.716 -36.260 1.985 1.00 20.02 N ATOM 1118 CA ASP A 70 18.237 -35.662 0.744 1.00 33.31 C ATOM 1119 C ASP A 70 19.119 -34.487 0.332 1.00 24.14 C ATOM 1120 O ASP A 70 18.949 -33.370 0.821 1.00 24.10 O ATOM 1121 CB ASP A 70 16.788 -35.196 0.902 1.00 13.03 C ATOM 1122 CG ASP A 70 15.808 -36.353 0.918 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.071 -37.345 1.629 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.778 -36.265 0.218 1.00 62.25 O1- ATOM 0 H ASP A 70 18.615 -35.664 2.807 1.00 20.02 H new ATOM 0 HA ASP A 70 18.283 -36.421 -0.037 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.691 -34.628 1.827 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.535 -34.520 0.085 1.00 13.03 H new ATOM 1129 N GLN A 71 20.060 -34.747 -0.569 1.00 45.13 N ATOM 1130 CA GLN A 71 20.970 -33.711 -1.044 1.00 73.34 C ATOM 1131 C GLN A 71 20.196 -32.543 -1.648 1.00 44.25 C ATOM 1132 O GLN A 71 20.696 -31.420 -1.707 1.00 55.10 O ATOM 1133 CB GLN A 71 21.936 -34.288 -2.080 1.00 71.25 C ATOM 1134 CG GLN A 71 21.271 -34.651 -3.397 1.00 52.44 C ATOM 1135 CD GLN A 71 22.058 -35.680 -4.184 1.00 44.52 C ATOM 1136 OE1 GLN A 71 22.370 -35.475 -5.358 1.00 34.54 O ATOM 1137 NE2 GLN A 71 22.384 -36.796 -3.540 1.00 51.40 N ATOM 0 H GLN A 71 20.213 -35.666 -0.985 1.00 45.13 H new ATOM 0 HA GLN A 71 21.540 -33.343 -0.191 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.727 -33.563 -2.270 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.411 -35.177 -1.666 1.00 71.25 H new ATOM 0 HG2 GLN A 71 20.271 -35.037 -3.200 1.00 52.44 H new ATOM 0 HG3 GLN A 71 21.153 -33.751 -4.000 1.00 52.44 H new ATOM 0 HE21 GLN A 71 22.105 -36.924 -2.567 1.00 51.40 H new ATOM 0 HE22 GLN A 71 22.914 -37.525 -4.018 1.00 51.40 H new ATOM 1146 N ARG A 72 18.975 -32.817 -2.093 1.00 4.45 N ATOM 1147 CA ARG A 72 18.133 -31.788 -2.695 1.00 31.14 C ATOM 1148 C ARG A 72 17.606 -30.829 -1.632 1.00 3.13 C ATOM 1149 O ARG A 72 17.576 -29.614 -1.836 1.00 25.45 O ATOM 1150 CB ARG A 72 16.964 -32.431 -3.442 1.00 14.31 C ATOM 1151 CG ARG A 72 16.093 -33.318 -2.567 1.00 43.23 C ATOM 1152 CD ARG A 72 15.028 -34.032 -3.384 1.00 44.31 C ATOM 1153 NE ARG A 72 15.551 -35.227 -4.041 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.856 -35.951 -4.912 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.617 -35.602 -5.228 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 15.401 -37.025 -5.469 1.00 72.31 N ATOM 0 H ARG A 72 18.546 -33.741 -2.049 1.00 4.45 H new ATOM 0 HA ARG A 72 18.740 -31.222 -3.402 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.346 -31.645 -3.877 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.355 -33.023 -4.269 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.716 -34.053 -2.058 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.617 -32.714 -1.795 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.198 -34.310 -2.734 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.630 -33.350 -4.135 1.00 44.31 H new ATOM 0 HE ARG A 72 16.502 -35.522 -3.819 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.195 -34.776 -4.802 1.00 20.14 H new ATOM 0 HH12 ARG A 72 13.085 -36.159 -5.897 1.00 20.14 H new ATOM 0 HH21 ARG A 72 16.355 -37.296 -5.229 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.866 -37.580 -6.137 1.00 72.31 H new ATOM 1170 N LEU A 73 17.190 -31.381 -0.498 1.00 3.20 N ATOM 1171 CA LEU A 73 16.662 -30.575 0.598 1.00 51.45 C ATOM 1172 C LEU A 73 16.554 -31.398 1.878 1.00 42.22 C ATOM 1173 O LEU A 73 15.860 -32.413 1.918 1.00 32.31 O ATOM 1174 CB LEU A 73 15.291 -30.009 0.226 1.00 24.54 C ATOM 1175 CG LEU A 73 14.172 -31.032 0.031 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.275 -31.084 1.258 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.359 -30.703 -1.212 1.00 14.14 C ATOM 0 H LEU A 73 17.208 -32.384 -0.313 1.00 3.20 H new ATOM 0 HA LEU A 73 17.353 -29.751 0.775 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.985 -29.310 1.005 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.395 -29.435 -0.695 1.00 24.54 H new ATOM 0 HG LEU A 73 14.625 -32.014 -0.104 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.485 -31.818 1.100 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.866 -31.369 2.129 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.831 -30.103 1.426 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.567 -31.442 -1.335 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.918 -29.712 -1.106 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.009 -30.719 -2.087 1.00 14.14 H new ATOM 1189 N GLU A 74 17.246 -30.951 2.922 1.00 52.14 N ATOM 1190 CA GLU A 74 17.227 -31.647 4.204 1.00 53.33 C ATOM 1191 C GLU A 74 17.743 -30.744 5.320 1.00 31.14 C ATOM 1192 O GLU A 74 18.468 -29.781 5.069 1.00 54.40 O ATOM 1193 CB GLU A 74 18.071 -32.920 4.130 1.00 34.50 C ATOM 1194 CG GLU A 74 17.583 -34.028 5.049 1.00 5.55 C ATOM 1195 CD GLU A 74 16.715 -35.042 4.330 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.624 -34.661 3.859 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.129 -36.217 4.239 1.00 54.12 O1- ATOM 0 H GLU A 74 17.826 -30.112 2.905 1.00 52.14 H new ATOM 0 HA GLU A 74 16.195 -31.917 4.427 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.073 -33.286 3.103 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.103 -32.677 4.384 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.442 -34.536 5.487 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.018 -33.590 5.872 1.00 5.55 H new ATOM 1204 N ILE A 75 17.364 -31.062 6.553 1.00 62.14 N ATOM 1205 CA ILE A 75 17.788 -30.280 7.708 1.00 30.31 C ATOM 1206 C ILE A 75 18.093 -31.182 8.899 1.00 75.04 C ATOM 1207 O ILE A 75 17.267 -32.002 9.297 1.00 14.04 O ATOM 1208 CB ILE A 75 16.717 -29.252 8.117 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.162 -28.488 9.365 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.385 -29.945 8.362 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.031 -26.987 9.232 1.00 31.35 C ATOM 0 H ILE A 75 16.764 -31.856 6.778 1.00 62.14 H new ATOM 0 HA ILE A 75 18.694 -29.750 7.415 1.00 30.31 H new ATOM 0 HB ILE A 75 16.590 -28.538 7.303 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.570 -28.822 10.217 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.201 -28.736 9.582 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.638 -29.206 8.650 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.064 -30.449 7.450 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.498 -30.678 9.161 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.364 -26.510 10.154 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.645 -26.640 8.401 1.00 31.35 H new ATOM 0 HD13 ILE A 75 15.989 -26.728 9.045 1.00 31.35 H new ATOM 1223 N SER A 76 19.285 -31.022 9.466 1.00 72.03 N ATOM 1224 CA SER A 76 19.701 -31.822 10.612 1.00 2.32 C ATOM 1225 C SER A 76 18.821 -31.534 11.825 1.00 11.44 C ATOM 1226 O SER A 76 18.481 -30.382 12.098 1.00 13.53 O ATOM 1227 CB SER A 76 21.166 -31.543 10.952 1.00 63.42 C ATOM 1228 OG SER A 76 21.968 -32.689 10.732 1.00 63.00 O ATOM 0 H SER A 76 19.980 -30.345 9.150 1.00 72.03 H new ATOM 0 HA SER A 76 19.591 -32.874 10.348 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.533 -30.717 10.343 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.248 -31.233 11.994 1.00 63.42 H new ATOM 0 HG SER A 76 22.900 -32.484 10.955 1.00 63.00 H new ATOM 1234 N ILE A 77 18.455 -32.587 12.547 1.00 32.21 N ATOM 1235 CA ILE A 77 17.616 -32.448 13.730 1.00 42.24 C ATOM 1236 C ILE A 77 18.171 -31.388 14.675 1.00 3.30 C ATOM 1237 O ILE A 77 17.417 -30.635 15.291 1.00 62.34 O ATOM 1238 CB ILE A 77 17.489 -33.781 14.490 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.610 -33.604 15.731 1.00 61.14 C ATOM 1240 CG2 ILE A 77 18.865 -34.303 14.879 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.190 -33.193 15.411 1.00 2.10 C ATOM 0 H ILE A 77 18.727 -33.547 12.333 1.00 32.21 H new ATOM 0 HA ILE A 77 16.629 -32.142 13.383 1.00 42.24 H new ATOM 0 HB ILE A 77 17.017 -34.512 13.834 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.592 -34.540 16.290 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.059 -32.853 16.381 1.00 61.14 H new ATOM 0 HG21 ILE A 77 18.758 -35.246 15.415 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.461 -34.462 13.980 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.362 -33.575 15.520 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.625 -33.086 16.337 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.198 -32.242 14.879 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.723 -33.954 14.787 1.00 2.10 H new ATOM 1253 N GLU A 78 19.495 -31.333 14.783 1.00 30.11 N ATOM 1254 CA GLU A 78 20.151 -30.364 15.653 1.00 0.34 C ATOM 1255 C GLU A 78 20.060 -28.958 15.067 1.00 42.21 C ATOM 1256 O GLU A 78 19.963 -27.974 15.799 1.00 45.21 O ATOM 1257 CB GLU A 78 21.618 -30.745 15.864 1.00 12.10 C ATOM 1258 CG GLU A 78 22.424 -30.801 14.578 1.00 52.02 C ATOM 1259 CD GLU A 78 23.874 -31.175 14.814 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.172 -32.387 14.871 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 24.711 -30.258 14.942 1.00 44.14 O ATOM 0 H GLU A 78 20.134 -31.948 14.279 1.00 30.11 H new ATOM 0 HA GLU A 78 19.638 -30.373 16.615 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.078 -30.024 16.540 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.665 -31.717 16.355 1.00 12.10 H new ATOM 0 HG2 GLU A 78 21.971 -31.526 13.901 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.379 -29.831 14.083 1.00 52.02 H new ATOM 1268 N GLU A 79 20.091 -28.872 13.740 1.00 34.12 N ATOM 1269 CA GLU A 79 20.013 -27.587 13.056 1.00 41.22 C ATOM 1270 C GLU A 79 18.679 -26.901 13.337 1.00 73.11 C ATOM 1271 O GLU A 79 18.639 -25.736 13.729 1.00 3.25 O ATOM 1272 CB GLU A 79 20.195 -27.775 11.549 1.00 40.51 C ATOM 1273 CG GLU A 79 20.302 -26.468 10.781 1.00 71.40 C ATOM 1274 CD GLU A 79 21.562 -25.695 11.117 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.654 -26.126 10.692 1.00 25.22 O ATOM 1276 OE2 GLU A 79 21.456 -24.658 11.805 1.00 73.13 O1- ATOM 0 H GLU A 79 20.170 -29.677 13.118 1.00 34.12 H new ATOM 0 HA GLU A 79 20.815 -26.953 13.435 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.094 -28.366 11.371 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.354 -28.348 11.159 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.283 -26.677 9.711 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.432 -25.850 11.001 1.00 71.40 H new ATOM 1283 N ALA A 80 17.590 -27.634 13.132 1.00 23.40 N ATOM 1284 CA ALA A 80 16.254 -27.098 13.363 1.00 41.12 C ATOM 1285 C ALA A 80 16.110 -26.581 14.790 1.00 13.05 C ATOM 1286 O ALA A 80 15.346 -25.651 15.048 1.00 13.31 O ATOM 1287 CB ALA A 80 15.202 -28.160 13.077 1.00 63.34 C ATOM 0 H ALA A 80 17.606 -28.601 12.806 1.00 23.40 H new ATOM 0 HA ALA A 80 16.103 -26.260 12.683 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.209 -27.746 13.254 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.282 -28.481 12.038 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.360 -29.015 13.734 1.00 63.34 H new ATOM 1293 N GLN A 81 16.849 -27.189 15.712 1.00 53.33 N ATOM 1294 CA GLN A 81 16.801 -26.788 17.114 1.00 55.10 C ATOM 1295 C GLN A 81 17.385 -25.392 17.301 1.00 65.05 C ATOM 1296 O GLN A 81 17.025 -24.678 18.236 1.00 13.14 O ATOM 1297 CB GLN A 81 17.564 -27.793 17.979 1.00 55.14 C ATOM 1298 CG GLN A 81 17.091 -29.227 17.808 1.00 15.04 C ATOM 1299 CD GLN A 81 16.664 -29.861 19.117 1.00 74.24 C ATOM 1300 OE1 GLN A 81 17.141 -29.483 20.187 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.763 -30.832 19.039 1.00 12.11 N ATOM 0 H GLN A 81 17.487 -27.960 15.515 1.00 53.33 H new ATOM 0 HA GLN A 81 15.757 -26.769 17.426 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.625 -27.738 17.735 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.463 -27.509 19.026 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.255 -29.249 17.109 1.00 15.04 H new ATOM 0 HG3 GLN A 81 17.892 -29.819 17.366 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.394 -31.114 18.131 1.00 12.11 H new ATOM 0 HE22 GLN A 81 15.439 -31.297 19.887 1.00 12.11 H new ATOM 1310 N GLY A 82 18.289 -25.007 16.405 1.00 10.33 N ATOM 1311 CA GLY A 82 18.908 -23.698 16.490 1.00 0.41 C ATOM 1312 C GLY A 82 17.889 -22.576 16.511 1.00 3.45 C ATOM 1313 O GLY A 82 18.102 -21.547 17.153 1.00 20.11 O ATOM 0 H GLY A 82 18.604 -25.579 15.621 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.520 -23.646 17.391 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.578 -23.560 15.641 1.00 0.41 H new ATOM 1317 N ILE A 83 16.780 -22.771 15.806 1.00 31.40 N ATOM 1318 CA ILE A 83 15.725 -21.767 15.746 1.00 1.12 C ATOM 1319 C ILE A 83 14.474 -22.240 16.480 1.00 73.35 C ATOM 1320 O ILE A 83 13.667 -21.430 16.937 1.00 13.12 O ATOM 1321 CB ILE A 83 15.355 -21.425 14.291 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.719 -22.636 13.606 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.587 -20.963 13.527 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.283 -22.365 12.183 1.00 2.43 C ATOM 0 H ILE A 83 16.589 -23.616 15.268 1.00 31.40 H new ATOM 0 HA ILE A 83 16.113 -20.872 16.233 1.00 1.12 H new ATOM 0 HB ILE A 83 14.629 -20.612 14.297 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.432 -23.461 13.608 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.855 -22.960 14.187 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.310 -20.725 12.500 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.001 -20.076 14.006 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.334 -21.757 13.527 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.841 -23.267 11.760 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.546 -21.562 12.175 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.147 -22.070 11.588 1.00 2.43 H new ATOM 1336 N HIS A 84 14.321 -23.555 16.591 1.00 63.03 N ATOM 1337 CA HIS A 84 13.169 -24.136 17.271 1.00 54.51 C ATOM 1338 C HIS A 84 13.477 -25.553 17.748 1.00 12.33 C ATOM 1339 O HIS A 84 13.388 -26.520 16.993 1.00 53.42 O ATOM 1340 CB HIS A 84 11.955 -24.151 16.342 1.00 32.52 C ATOM 1341 CG HIS A 84 10.680 -23.744 17.015 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.385 -24.065 18.324 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.622 -23.037 16.554 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.199 -23.575 18.638 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.715 -22.945 17.581 1.00 13.00 N ATOM 0 H HIS A 84 14.980 -24.239 16.219 1.00 63.03 H new ATOM 0 HA HIS A 84 12.943 -23.519 18.141 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.142 -23.482 15.502 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.835 -25.153 15.931 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.512 -22.622 15.563 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.708 -23.672 19.595 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.814 -22.468 17.536 1.00 13.00 H new ATOM 1353 N PRO A 85 13.849 -25.678 19.031 1.00 51.33 N ATOM 1354 CA PRO A 85 14.178 -26.971 19.636 1.00 21.45 C ATOM 1355 C PRO A 85 12.952 -27.862 19.803 1.00 1.12 C ATOM 1356 O PRO A 85 13.068 -29.032 20.168 1.00 55.23 O ATOM 1357 CB PRO A 85 14.751 -26.588 21.003 1.00 54.51 C ATOM 1358 CG PRO A 85 14.141 -25.264 21.310 1.00 23.33 C ATOM 1359 CD PRO A 85 13.977 -24.566 19.988 1.00 35.21 C ATOM 0 HA PRO A 85 14.865 -27.547 19.017 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.495 -27.328 21.761 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.839 -26.526 20.973 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.180 -25.384 21.810 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.779 -24.687 21.980 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.096 -23.924 19.979 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.835 -23.934 19.758 1.00 35.21 H new ATOM 1367 N GLU A 86 11.777 -27.301 19.532 1.00 11.24 N ATOM 1368 CA GLU A 86 10.530 -28.046 19.653 1.00 2.30 C ATOM 1369 C GLU A 86 10.375 -29.038 18.504 1.00 54.33 C ATOM 1370 O GLU A 86 9.607 -29.996 18.597 1.00 72.01 O ATOM 1371 CB GLU A 86 9.337 -27.087 19.678 1.00 32.11 C ATOM 1372 CG GLU A 86 9.204 -26.315 20.980 1.00 10.02 C ATOM 1373 CD GLU A 86 8.908 -27.215 22.164 1.00 32.22 C ATOM 1374 OE1 GLU A 86 7.754 -27.674 22.288 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 9.833 -27.462 22.966 1.00 32.50 O ATOM 0 H GLU A 86 11.663 -26.334 19.228 1.00 11.24 H new ATOM 0 HA GLU A 86 10.559 -28.603 20.590 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.433 -26.380 18.854 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.422 -27.654 19.507 1.00 32.11 H new ATOM 0 HG2 GLU A 86 10.126 -25.765 21.168 1.00 10.02 H new ATOM 0 HG3 GLU A 86 8.408 -25.577 20.881 1.00 10.02 H new ATOM 1382 N TYR A 87 11.108 -28.801 17.422 1.00 13.33 N ATOM 1383 CA TYR A 87 11.051 -29.670 16.254 1.00 62.40 C ATOM 1384 C TYR A 87 11.357 -31.116 16.635 1.00 30.01 C ATOM 1385 O TYR A 87 11.674 -31.412 17.787 1.00 64.21 O ATOM 1386 CB TYR A 87 12.037 -29.193 15.188 1.00 41.24 C ATOM 1387 CG TYR A 87 11.544 -28.003 14.395 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.247 -27.966 13.896 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.373 -26.917 14.146 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.792 -26.882 13.171 1.00 10.23 C ATOM 1391 CE2 TYR A 87 11.926 -25.827 13.423 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.635 -25.815 12.938 1.00 73.33 C ATOM 1393 OH TYR A 87 10.185 -24.732 12.217 1.00 33.41 O ATOM 0 H TYR A 87 11.749 -28.013 17.330 1.00 13.33 H new ATOM 0 HA TYR A 87 10.040 -29.626 15.850 1.00 62.40 H new ATOM 0 HB2 TYR A 87 12.980 -28.933 15.668 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.244 -30.015 14.503 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.584 -28.799 14.078 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.385 -26.924 14.524 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.782 -26.870 12.789 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.583 -24.990 13.239 1.00 41.22 H new ATOM 0 HH TYR A 87 10.646 -23.922 12.521 1.00 33.41 H new ATOM 1403 N MET A 88 11.260 -32.012 15.658 1.00 30.33 N ATOM 1404 CA MET A 88 11.528 -33.426 15.890 1.00 15.53 C ATOM 1405 C MET A 88 11.748 -34.161 14.571 1.00 10.42 C ATOM 1406 O MET A 88 11.171 -33.800 13.545 1.00 24.25 O ATOM 1407 CB MET A 88 10.371 -34.068 16.658 1.00 14.22 C ATOM 1408 CG MET A 88 10.729 -35.402 17.293 1.00 4.24 C ATOM 1409 SD MET A 88 11.346 -35.227 18.978 1.00 21.05 S ATOM 1410 CE MET A 88 13.042 -35.769 18.775 1.00 34.51 C ATOM 0 H MET A 88 10.998 -31.784 14.699 1.00 30.33 H new ATOM 0 HA MET A 88 12.437 -33.504 16.486 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.038 -33.382 17.437 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.531 -34.212 15.979 1.00 14.22 H new ATOM 0 HG2 MET A 88 9.849 -36.045 17.298 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.484 -35.899 16.684 1.00 4.24 H new ATOM 0 HE1 MET A 88 13.558 -35.718 19.734 1.00 34.51 H new ATOM 0 HE2 MET A 88 13.055 -36.796 18.411 1.00 34.51 H new ATOM 0 HE3 MET A 88 13.547 -35.123 18.057 1.00 34.51 H new ATOM 1420 N VAL A 89 12.584 -35.193 14.606 1.00 2.14 N ATOM 1421 CA VAL A 89 12.879 -35.979 13.414 1.00 32.25 C ATOM 1422 C VAL A 89 11.597 -36.438 12.728 1.00 31.51 C ATOM 1423 O VAL A 89 10.776 -37.134 13.324 1.00 22.02 O ATOM 1424 CB VAL A 89 13.738 -37.212 13.752 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.072 -37.993 12.490 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.005 -36.794 14.482 1.00 64.13 C ATOM 0 H VAL A 89 13.069 -35.505 15.447 1.00 2.14 H new ATOM 0 HA VAL A 89 13.438 -35.332 12.738 1.00 32.25 H new ATOM 0 HB VAL A 89 13.164 -37.863 14.411 1.00 43.25 H new ATOM 0 HG11 VAL A 89 14.679 -38.860 12.749 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.150 -38.325 12.013 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.626 -37.354 11.803 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.600 -37.678 14.713 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.584 -36.122 13.849 1.00 64.13 H new ATOM 0 HG23 VAL A 89 14.740 -36.283 15.408 1.00 64.13 H new ATOM 1436 N GLY A 90 11.433 -36.045 11.468 1.00 61.31 N ATOM 1437 CA GLY A 90 10.248 -36.426 10.722 1.00 5.34 C ATOM 1438 C GLY A 90 9.362 -35.240 10.395 1.00 73.20 C ATOM 1439 O GLY A 90 8.545 -35.302 9.476 1.00 73.05 O ATOM 0 H GLY A 90 12.099 -35.470 10.951 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.548 -36.918 9.797 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.677 -37.154 11.299 1.00 5.34 H new ATOM 1443 N ASP A 91 9.523 -34.158 11.148 1.00 14.12 N ATOM 1444 CA ASP A 91 8.731 -32.953 10.934 1.00 22.15 C ATOM 1445 C ASP A 91 9.339 -32.090 9.833 1.00 32.31 C ATOM 1446 O ASP A 91 10.334 -32.467 9.213 1.00 53.31 O ATOM 1447 CB ASP A 91 8.628 -32.148 12.231 1.00 12.13 C ATOM 1448 CG ASP A 91 7.273 -31.486 12.395 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.249 -32.185 12.246 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.238 -30.270 12.673 1.00 3.14 O ATOM 0 H ASP A 91 10.195 -34.091 11.912 1.00 14.12 H new ATOM 0 HA ASP A 91 7.731 -33.256 10.622 1.00 22.15 H new ATOM 0 HB2 ASP A 91 8.813 -32.807 13.080 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.406 -31.385 12.244 1.00 12.13 H new ATOM 1455 N VAL A 92 8.735 -30.931 9.594 1.00 31.51 N ATOM 1456 CA VAL A 92 9.218 -30.014 8.568 1.00 42.33 C ATOM 1457 C VAL A 92 9.468 -28.626 9.145 1.00 75.52 C ATOM 1458 O VAL A 92 8.749 -28.173 10.035 1.00 53.31 O ATOM 1459 CB VAL A 92 8.219 -29.902 7.401 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.252 -31.160 6.546 1.00 55.14 C ATOM 1461 CG2 VAL A 92 6.814 -29.641 7.926 1.00 61.45 C ATOM 0 H VAL A 92 7.910 -30.604 10.097 1.00 31.51 H new ATOM 0 HA VAL A 92 10.157 -30.422 8.194 1.00 42.33 H new ATOM 0 HB VAL A 92 8.511 -29.059 6.775 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.540 -31.062 5.727 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.254 -31.298 6.141 1.00 55.14 H new ATOM 0 HG13 VAL A 92 7.986 -32.022 7.157 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.121 -29.565 7.088 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.510 -30.462 8.575 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.804 -28.709 8.491 1.00 61.45 H new ATOM 1471 N VAL A 93 10.492 -27.952 8.629 1.00 53.22 N ATOM 1472 CA VAL A 93 10.836 -26.613 9.092 1.00 1.40 C ATOM 1473 C VAL A 93 10.845 -25.618 7.936 1.00 13.54 C ATOM 1474 O VAL A 93 11.321 -25.926 6.844 1.00 42.32 O ATOM 1475 CB VAL A 93 12.212 -26.594 9.782 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.283 -27.149 8.854 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.564 -25.184 10.232 1.00 1.50 C ATOM 0 H VAL A 93 11.097 -28.312 7.891 1.00 53.22 H new ATOM 0 HA VAL A 93 10.073 -26.321 9.813 1.00 1.40 H new ATOM 0 HB VAL A 93 12.164 -27.231 10.665 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.249 -27.128 9.359 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.036 -28.176 8.587 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.332 -26.541 7.951 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.540 -25.190 10.718 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.594 -24.522 9.366 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.811 -24.828 10.935 1.00 1.50 H new ATOM 1487 N GLU A 94 10.317 -24.424 8.186 1.00 63.33 N ATOM 1488 CA GLU A 94 10.264 -23.384 7.166 1.00 13.04 C ATOM 1489 C GLU A 94 11.223 -22.246 7.499 1.00 14.14 C ATOM 1490 O GLU A 94 11.289 -21.791 8.641 1.00 22.33 O ATOM 1491 CB GLU A 94 8.840 -22.842 7.030 1.00 72.23 C ATOM 1492 CG GLU A 94 8.039 -23.504 5.922 1.00 51.42 C ATOM 1493 CD GLU A 94 6.544 -23.464 6.177 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.118 -23.879 7.275 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.802 -23.016 5.279 1.00 11.44 O1- ATOM 0 H GLU A 94 9.920 -24.153 9.086 1.00 63.33 H new ATOM 0 HA GLU A 94 10.568 -23.827 6.217 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.317 -22.979 7.976 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.885 -21.769 6.843 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.256 -23.008 4.976 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.358 -24.541 5.818 1.00 51.42 H new ATOM 1502 N ILE A 95 11.965 -21.792 6.494 1.00 43.41 N ATOM 1503 CA ILE A 95 12.922 -20.707 6.681 1.00 24.11 C ATOM 1504 C ILE A 95 12.770 -19.649 5.593 1.00 51.42 C ATOM 1505 O ILE A 95 12.589 -19.973 4.420 1.00 43.44 O ATOM 1506 CB ILE A 95 14.371 -21.227 6.678 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.496 -22.456 7.581 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.327 -20.132 7.128 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.290 -23.765 6.851 1.00 4.40 C ATOM 0 H ILE A 95 11.922 -22.158 5.543 1.00 43.41 H new ATOM 0 HA ILE A 95 12.708 -20.260 7.652 1.00 24.11 H new ATOM 0 HB ILE A 95 14.636 -21.518 5.662 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.483 -22.458 8.043 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.767 -22.380 8.387 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.348 -20.515 7.121 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.253 -19.283 6.449 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.066 -19.813 8.137 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.393 -24.593 7.552 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.293 -23.784 6.412 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.036 -23.863 6.062 1.00 4.40 H new ATOM 1521 N GLU A 96 12.849 -18.383 5.991 1.00 15.41 N ATOM 1522 CA GLU A 96 12.723 -17.277 5.049 1.00 4.20 C ATOM 1523 C GLU A 96 13.693 -17.442 3.884 1.00 3.25 C ATOM 1524 O GLU A 96 14.909 -17.468 4.072 1.00 21.32 O ATOM 1525 CB GLU A 96 12.978 -15.944 5.755 1.00 33.11 C ATOM 1526 CG GLU A 96 12.042 -15.686 6.924 1.00 44.11 C ATOM 1527 CD GLU A 96 12.691 -14.864 8.021 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.534 -14.001 7.695 1.00 64.34 O ATOM 1529 OE2 GLU A 96 12.358 -15.084 9.204 1.00 23.44 O1- ATOM 0 H GLU A 96 13.000 -18.098 6.959 1.00 15.41 H new ATOM 0 HA GLU A 96 11.706 -17.282 4.656 1.00 4.20 H new ATOM 0 HB2 GLU A 96 14.007 -15.923 6.113 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.875 -15.134 5.033 1.00 33.11 H new ATOM 0 HG2 GLU A 96 11.153 -15.168 6.565 1.00 44.11 H new ATOM 0 HG3 GLU A 96 11.711 -16.639 7.337 1.00 44.11 H new ATOM 1536 N VAL A 97 13.146 -17.554 2.677 1.00 52.41 N ATOM 1537 CA VAL A 97 13.963 -17.716 1.479 1.00 41.24 C ATOM 1538 C VAL A 97 13.485 -16.797 0.360 1.00 64.02 C ATOM 1539 O VAL A 97 13.829 -16.990 -0.806 1.00 40.42 O ATOM 1540 CB VAL A 97 13.941 -19.172 0.978 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.620 -19.480 0.290 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.111 -19.430 0.041 1.00 14.33 C ATOM 0 H VAL A 97 12.141 -17.536 2.503 1.00 52.41 H new ATOM 0 HA VAL A 97 14.984 -17.449 1.753 1.00 41.24 H new ATOM 0 HB VAL A 97 14.039 -19.835 1.837 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.623 -20.513 -0.057 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.801 -19.336 0.994 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.488 -18.812 -0.561 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.080 -20.464 -0.304 1.00 14.33 H new ATOM 0 HG22 VAL A 97 15.045 -18.760 -0.816 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.047 -19.252 0.570 1.00 14.33 H new ATOM 1552 N THR A 98 12.691 -15.795 0.724 1.00 74.11 N ATOM 1553 CA THR A 98 12.165 -14.846 -0.249 1.00 21.42 C ATOM 1554 C THR A 98 13.209 -13.797 -0.614 1.00 23.55 C ATOM 1555 O THR A 98 13.899 -13.248 0.244 1.00 72.05 O ATOM 1556 CB THR A 98 10.906 -14.136 0.283 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.268 -13.410 -0.775 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.259 -13.184 1.416 1.00 33.24 C ATOM 0 H THR A 98 12.398 -15.620 1.685 1.00 74.11 H new ATOM 0 HA THR A 98 11.902 -15.419 -1.139 1.00 21.42 H new ATOM 0 HB THR A 98 10.223 -14.895 0.666 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.468 -12.963 -0.429 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.354 -12.694 1.775 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.717 -13.743 2.232 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.959 -12.431 1.054 1.00 33.24 H new ATOM 1566 N PRO A 99 13.331 -13.511 -1.919 1.00 61.42 N ATOM 1567 CA PRO A 99 14.289 -12.525 -2.428 1.00 22.35 C ATOM 1568 C PRO A 99 13.907 -11.098 -2.050 1.00 21.13 C ATOM 1569 O PRO A 99 12.745 -10.810 -1.766 1.00 4.33 O ATOM 1570 CB PRO A 99 14.220 -12.714 -3.945 1.00 33.45 C ATOM 1571 CG PRO A 99 12.864 -13.278 -4.196 1.00 23.31 C ATOM 1572 CD PRO A 99 12.542 -14.129 -2.999 1.00 75.43 C ATOM 0 HA PRO A 99 15.286 -12.672 -2.012 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.358 -11.768 -4.468 1.00 33.45 H new ATOM 0 HB3 PRO A 99 15.001 -13.389 -4.296 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.128 -12.484 -4.320 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.851 -13.870 -5.111 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.476 -14.119 -2.774 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.824 -15.170 -3.158 1.00 75.43 H new ATOM 1580 N LYS A 100 14.893 -10.208 -2.050 1.00 1.34 N ATOM 1581 CA LYS A 100 14.661 -8.809 -1.709 1.00 31.23 C ATOM 1582 C LYS A 100 13.980 -8.074 -2.859 1.00 11.53 C ATOM 1583 O LYS A 100 13.614 -6.906 -2.732 1.00 43.02 O ATOM 1584 CB LYS A 100 15.985 -8.121 -1.364 1.00 14.02 C ATOM 1585 CG LYS A 100 15.821 -6.906 -0.467 1.00 13.24 C ATOM 1586 CD LYS A 100 17.154 -6.450 0.102 1.00 51.30 C ATOM 1587 CE LYS A 100 17.928 -5.604 -0.897 1.00 60.13 C ATOM 1588 NZ LYS A 100 19.330 -5.368 -0.455 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.861 -10.430 -2.282 1.00 1.34 H new ATOM 0 HA LYS A 100 14.003 -8.777 -0.840 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.641 -8.839 -0.873 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.479 -7.817 -2.287 1.00 14.02 H new ATOM 0 HG2 LYS A 100 15.369 -6.092 -1.034 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.138 -7.144 0.349 1.00 13.24 H new ATOM 0 HD2 LYS A 100 16.984 -5.875 1.012 1.00 51.30 H new ATOM 0 HD3 LYS A 100 17.748 -7.320 0.381 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.932 -6.101 -1.867 1.00 60.13 H new ATOM 0 HE3 LYS A 100 17.423 -4.647 -1.031 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 19.824 -4.788 -1.163 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.327 -4.872 0.459 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 19.820 -6.280 -0.352 1.00 62.04 H new ATOM 1602 N ASP A 101 13.812 -8.768 -3.981 1.00 23.32 N ATOM 1603 CA ASP A 101 13.171 -8.181 -5.152 1.00 41.13 C ATOM 1604 C ASP A 101 11.783 -8.777 -5.368 1.00 43.12 C ATOM 1605 O ASP A 101 11.128 -8.502 -6.372 1.00 15.43 O ATOM 1606 CB ASP A 101 14.033 -8.404 -6.395 1.00 64.01 C ATOM 1607 CG ASP A 101 15.303 -7.575 -6.375 1.00 62.02 C ATOM 1608 OD1 ASP A 101 15.306 -6.512 -5.720 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 16.292 -7.988 -7.017 1.00 12.30 O ATOM 0 H ASP A 101 14.110 -9.736 -4.103 1.00 23.32 H new ATOM 0 HA ASP A 101 13.064 -7.110 -4.979 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.293 -9.460 -6.469 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.454 -8.155 -7.284 1.00 64.01 H new ATOM 1614 N PHE A 102 11.341 -9.595 -4.418 1.00 61.52 N ATOM 1615 CA PHE A 102 10.032 -10.232 -4.504 1.00 41.25 C ATOM 1616 C PHE A 102 8.917 -9.207 -4.322 1.00 61.03 C ATOM 1617 O PHE A 102 7.767 -9.454 -4.682 1.00 73.03 O ATOM 1618 CB PHE A 102 9.907 -11.333 -3.450 1.00 42.23 C ATOM 1619 CG PHE A 102 9.292 -12.599 -3.975 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.809 -13.220 -5.101 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.197 -13.167 -3.345 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.246 -14.385 -5.586 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.630 -14.332 -3.826 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.154 -14.941 -4.949 1.00 15.23 C ATOM 0 H PHE A 102 11.871 -9.832 -3.579 1.00 61.52 H new ATOM 0 HA PHE A 102 9.935 -10.676 -5.495 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.896 -11.557 -3.051 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.305 -10.963 -2.620 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.661 -12.789 -5.605 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.781 -12.694 -2.468 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.660 -14.861 -6.463 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.778 -14.766 -3.324 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.711 -15.850 -5.328 1.00 15.23 H new ATOM 1634 N GLY A 103 9.266 -8.054 -3.757 1.00 33.20 N ATOM 1635 CA GLY A 103 8.283 -7.009 -3.535 1.00 14.33 C ATOM 1636 C GLY A 103 7.473 -6.701 -4.779 1.00 14.11 C ATOM 1637 O GLY A 103 6.243 -6.696 -4.742 1.00 52.21 O ATOM 0 H GLY A 103 10.211 -7.826 -3.449 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.610 -7.312 -2.733 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.789 -6.103 -3.201 1.00 14.33 H new ATOM 1641 N ARG A 104 8.165 -6.441 -5.883 1.00 11.41 N ATOM 1642 CA ARG A 104 7.502 -6.126 -7.144 1.00 21.11 C ATOM 1643 C ARG A 104 7.003 -7.397 -7.826 1.00 54.21 C ATOM 1644 O ARG A 104 5.936 -7.405 -8.441 1.00 35.02 O ATOM 1645 CB ARG A 104 8.457 -5.376 -8.073 1.00 50.22 C ATOM 1646 CG ARG A 104 9.172 -4.214 -7.402 1.00 72.45 C ATOM 1647 CD ARG A 104 10.085 -3.486 -8.377 1.00 22.14 C ATOM 1648 NE ARG A 104 10.760 -2.352 -7.751 1.00 50.51 N ATOM 1649 CZ ARG A 104 11.676 -1.611 -8.364 1.00 32.33 C ATOM 1650 NH1 ARG A 104 12.025 -1.884 -9.614 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 12.245 -0.597 -7.728 1.00 63.54 N ATOM 0 H ARG A 104 9.184 -6.442 -5.931 1.00 11.41 H new ATOM 0 HA ARG A 104 6.644 -5.489 -6.927 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.199 -6.075 -8.458 1.00 50.22 H new ATOM 0 HB3 ARG A 104 7.897 -5.001 -8.930 1.00 50.22 H new ATOM 0 HG2 ARG A 104 8.437 -3.517 -6.999 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.757 -4.583 -6.559 1.00 72.45 H new ATOM 0 HD2 ARG A 104 10.829 -4.181 -8.765 1.00 22.14 H new ATOM 0 HD3 ARG A 104 9.501 -3.136 -9.228 1.00 22.14 H new ATOM 0 HE ARG A 104 10.514 -2.116 -6.790 1.00 50.51 H new ATOM 0 HH11 ARG A 104 11.590 -2.664 -10.106 1.00 65.42 H new ATOM 0 HH12 ARG A 104 12.729 -1.314 -10.083 1.00 65.42 H new ATOM 0 HH21 ARG A 104 11.980 -0.385 -6.766 1.00 63.54 H new ATOM 0 HH22 ARG A 104 12.948 -0.029 -8.200 1.00 63.54 H new ATOM 1665 N ILE A 105 7.783 -8.467 -7.716 1.00 74.15 N ATOM 1666 CA ILE A 105 7.420 -9.742 -8.322 1.00 51.42 C ATOM 1667 C ILE A 105 6.067 -10.228 -7.813 1.00 31.22 C ATOM 1668 O ILE A 105 5.257 -10.754 -8.575 1.00 32.23 O ATOM 1669 CB ILE A 105 8.480 -10.822 -8.039 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.853 -10.361 -8.531 1.00 71.02 C ATOM 1671 CG2 ILE A 105 8.088 -12.136 -8.699 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.998 -11.197 -8.001 1.00 51.01 C ATOM 0 H ILE A 105 8.670 -8.476 -7.213 1.00 74.15 H new ATOM 0 HA ILE A 105 7.362 -9.574 -9.397 1.00 51.42 H new ATOM 0 HB ILE A 105 8.536 -10.982 -6.962 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.868 -10.389 -9.621 1.00 71.02 H new ATOM 0 HG13 ILE A 105 10.005 -9.323 -8.237 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.848 -12.889 -8.490 1.00 4.21 H new ATOM 0 HG22 ILE A 105 7.128 -12.469 -8.304 1.00 4.21 H new ATOM 0 HG23 ILE A 105 8.007 -11.992 -9.776 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.940 -10.812 -8.391 1.00 51.01 H new ATOM 0 HD12 ILE A 105 11.010 -11.149 -6.912 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.870 -12.232 -8.318 1.00 51.01 H new ATOM 1684 N ALA A 106 5.828 -10.046 -6.519 1.00 52.13 N ATOM 1685 CA ALA A 106 4.571 -10.460 -5.908 1.00 0.32 C ATOM 1686 C ALA A 106 3.378 -9.879 -6.656 1.00 11.13 C ATOM 1687 O ALA A 106 2.443 -10.597 -7.007 1.00 42.22 O ATOM 1688 CB ALA A 106 4.533 -10.045 -4.444 1.00 60.32 C ATOM 0 H ALA A 106 6.489 -9.614 -5.873 1.00 52.13 H new ATOM 0 HA ALA A 106 4.508 -11.547 -5.968 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.589 -10.361 -4.001 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.359 -10.515 -3.911 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.624 -8.961 -4.371 1.00 60.32 H new ATOM 1694 N ALA A 107 3.417 -8.572 -6.898 1.00 54.24 N ATOM 1695 CA ALA A 107 2.339 -7.893 -7.607 1.00 40.42 C ATOM 1696 C ALA A 107 2.361 -8.232 -9.093 1.00 61.51 C ATOM 1697 O ALA A 107 1.328 -8.547 -9.682 1.00 62.23 O ATOM 1698 CB ALA A 107 2.439 -6.389 -7.404 1.00 41.43 C ATOM 0 H ALA A 107 4.184 -7.963 -6.613 1.00 54.24 H new ATOM 0 HA ALA A 107 1.391 -8.241 -7.196 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.628 -5.895 -7.939 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.365 -6.160 -6.341 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.396 -6.033 -7.786 1.00 41.43 H new ATOM 1704 N GLN A 108 3.545 -8.164 -9.694 1.00 63.24 N ATOM 1705 CA GLN A 108 3.700 -8.462 -11.112 1.00 24.31 C ATOM 1706 C GLN A 108 3.157 -9.849 -11.440 1.00 33.31 C ATOM 1707 O GLN A 108 2.604 -10.073 -12.517 1.00 5.33 O ATOM 1708 CB GLN A 108 5.172 -8.369 -11.517 1.00 74.24 C ATOM 1709 CG GLN A 108 5.442 -8.826 -12.942 1.00 10.13 C ATOM 1710 CD GLN A 108 6.866 -8.554 -13.382 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.811 -9.160 -12.875 1.00 30.11 O ATOM 1712 NE2 GLN A 108 7.029 -7.639 -14.330 1.00 30.20 N ATOM 0 H GLN A 108 4.410 -7.905 -9.220 1.00 63.24 H new ATOM 0 HA GLN A 108 3.128 -7.725 -11.676 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.506 -7.337 -11.406 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.767 -8.973 -10.832 1.00 74.24 H new ATOM 0 HG2 GLN A 108 5.239 -9.894 -13.022 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.754 -8.319 -13.619 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.218 -7.161 -14.722 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.965 -7.414 -14.666 1.00 30.20 H new ATOM 1721 N THR A 109 3.320 -10.779 -10.504 1.00 14.35 N ATOM 1722 CA THR A 109 2.847 -12.145 -10.693 1.00 1.22 C ATOM 1723 C THR A 109 1.378 -12.277 -10.309 1.00 5.53 C ATOM 1724 O THR A 109 0.657 -13.110 -10.854 1.00 22.25 O ATOM 1725 CB THR A 109 3.675 -13.145 -9.864 1.00 63.33 C ATOM 1726 OG1 THR A 109 5.073 -12.886 -10.038 1.00 62.10 O ATOM 1727 CG2 THR A 109 3.365 -14.577 -10.277 1.00 43.12 C ATOM 0 H THR A 109 3.776 -10.611 -9.607 1.00 14.35 H new ATOM 0 HA THR A 109 2.964 -12.377 -11.752 1.00 1.22 H new ATOM 0 HB THR A 109 3.410 -13.020 -8.814 1.00 63.33 H new ATOM 0 HG1 THR A 109 5.363 -12.207 -9.393 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.961 -15.266 -9.678 1.00 43.12 H new ATOM 0 HG22 THR A 109 2.306 -14.781 -10.117 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.605 -14.712 -11.332 1.00 43.12 H new ATOM 1735 N ALA A 110 0.942 -11.449 -9.365 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.443 -11.472 -8.909 1.00 65.20 C ATOM 1737 C ALA A 110 -1.373 -10.856 -9.949 1.00 34.15 C ATOM 1738 O ALA A 110 -2.520 -11.279 -10.100 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.574 -10.740 -7.582 1.00 42.13 C ATOM 0 H ALA A 110 1.527 -10.754 -8.901 1.00 1.34 H new ATOM 0 HA ALA A 110 -0.736 -12.512 -8.768 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.613 -10.765 -7.254 1.00 42.13 H new ATOM 0 HB2 ALA A 110 0.054 -11.225 -6.835 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.257 -9.704 -7.705 1.00 42.13 H new ATOM 1745 N LYS A 111 -0.874 -9.854 -10.664 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.659 -9.179 -11.691 1.00 13.33 C ATOM 1747 C LYS A 111 -1.900 -10.099 -12.884 1.00 33.32 C ATOM 1748 O LYS A 111 -2.902 -9.969 -13.586 1.00 3.05 O ATOM 1749 CB LYS A 111 -0.948 -7.905 -12.151 1.00 20.42 C ATOM 1750 CG LYS A 111 0.457 -8.148 -12.674 1.00 74.20 C ATOM 1751 CD LYS A 111 0.771 -7.258 -13.865 1.00 34.11 C ATOM 1752 CE LYS A 111 2.268 -7.035 -14.015 1.00 74.34 C ATOM 1753 NZ LYS A 111 2.724 -5.823 -13.279 1.00 63.44 N1+ ATOM 0 H LYS A 111 0.072 -9.491 -10.551 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.624 -8.913 -11.259 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.541 -7.430 -12.933 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -0.900 -7.204 -11.317 1.00 20.42 H new ATOM 0 HG2 LYS A 111 1.179 -7.962 -11.879 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.563 -9.194 -12.962 1.00 74.20 H new ATOM 0 HD2 LYS A 111 0.377 -7.712 -14.774 1.00 34.11 H new ATOM 0 HD3 LYS A 111 0.269 -6.298 -13.745 1.00 34.11 H new ATOM 0 HE2 LYS A 111 2.804 -7.908 -13.644 1.00 74.34 H new ATOM 0 HE3 LYS A 111 2.516 -6.933 -15.071 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 3.763 -5.815 -13.233 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 2.393 -4.971 -13.775 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 2.335 -5.836 -12.315 1.00 63.44 H new ATOM 1767 N GLN A 112 -0.976 -11.029 -13.105 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.090 -11.970 -14.212 1.00 10.21 C ATOM 1769 C GLN A 112 -2.139 -13.036 -13.915 1.00 0.31 C ATOM 1770 O GLN A 112 -2.807 -13.534 -14.821 1.00 14.34 O ATOM 1771 CB GLN A 112 0.262 -12.630 -14.489 1.00 41.41 C ATOM 1772 CG GLN A 112 0.401 -14.013 -13.871 1.00 33.01 C ATOM 1773 CD GLN A 112 1.830 -14.520 -13.891 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.768 -13.757 -14.122 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.002 -15.814 -13.650 1.00 73.33 N ATOM 0 H GLN A 112 -0.141 -11.150 -12.532 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.403 -11.415 -15.096 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.406 -12.706 -15.567 1.00 41.41 H new ATOM 0 HB3 GLN A 112 1.056 -11.988 -14.106 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.044 -13.984 -12.842 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.237 -14.714 -14.410 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.195 -16.410 -13.463 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.941 -16.213 -13.651 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.278 -13.382 -12.639 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.247 -14.389 -12.222 1.00 53.54 C ATOM 1786 C VAL A 113 -4.665 -13.828 -12.240 1.00 33.44 C ATOM 1787 O VAL A 113 -5.574 -14.426 -12.816 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.934 -14.918 -10.809 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -4.021 -15.874 -10.344 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.571 -15.593 -10.785 1.00 71.43 C ATOM 0 H VAL A 113 -1.732 -12.980 -11.877 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.175 -15.211 -12.934 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.908 -14.074 -10.120 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.783 -16.237 -9.344 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.978 -15.353 -10.322 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.082 -16.718 -11.032 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.365 -15.961 -9.780 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.566 -16.428 -11.485 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.804 -14.874 -11.072 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.848 -12.675 -11.604 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.155 -12.032 -11.547 1.00 44.31 C ATOM 1802 C VAL A 114 -6.719 -11.811 -12.946 1.00 24.40 C ATOM 1803 O VAL A 114 -7.912 -12.001 -13.185 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.083 -10.680 -10.814 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.792 -10.887 -9.336 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.032 -9.783 -11.451 1.00 62.43 C ATOM 0 H VAL A 114 -4.107 -12.167 -11.121 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.814 -12.701 -10.994 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.051 -10.188 -10.904 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.745 -9.920 -8.835 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.584 -11.488 -8.890 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.838 -11.401 -9.222 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -4.995 -8.832 -10.920 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.057 -10.268 -11.395 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.289 -9.606 -12.495 1.00 62.43 H new ATOM 1816 N THR A 115 -5.853 -11.406 -13.870 1.00 11.13 N ATOM 1817 CA THR A 115 -6.265 -11.157 -15.247 1.00 33.11 C ATOM 1818 C THR A 115 -7.041 -12.342 -15.810 1.00 25.41 C ATOM 1819 O THR A 115 -7.989 -12.165 -16.573 1.00 0.53 O ATOM 1820 CB THR A 115 -5.051 -10.875 -16.153 1.00 14.23 C ATOM 1821 OG1 THR A 115 -4.370 -9.698 -15.706 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.487 -10.696 -17.599 1.00 72.31 C ATOM 0 H THR A 115 -4.862 -11.243 -13.690 1.00 11.13 H new ATOM 0 HA THR A 115 -6.910 -10.278 -15.232 1.00 33.11 H new ATOM 0 HB THR A 115 -4.376 -11.729 -16.096 1.00 14.23 H new ATOM 0 HG1 THR A 115 -3.642 -9.951 -15.101 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.614 -10.498 -18.220 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.980 -11.604 -17.945 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.180 -9.857 -17.669 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.633 -13.547 -15.429 1.00 72.25 N ATOM 1831 CA GLN A 116 -7.291 -14.761 -15.897 1.00 54.01 C ATOM 1832 C GLN A 116 -8.659 -14.924 -15.244 1.00 61.15 C ATOM 1833 O GLN A 116 -9.654 -15.188 -15.921 1.00 62.10 O ATOM 1834 CB GLN A 116 -6.423 -15.984 -15.602 1.00 65.13 C ATOM 1835 CG GLN A 116 -5.121 -16.010 -16.388 1.00 43.44 C ATOM 1836 CD GLN A 116 -4.064 -16.879 -15.736 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -4.337 -18.009 -15.328 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -2.847 -16.357 -15.635 1.00 23.42 N ATOM 0 H GLN A 116 -5.849 -13.709 -14.797 1.00 72.25 H new ATOM 0 HA GLN A 116 -7.430 -14.676 -16.975 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -6.195 -16.009 -14.536 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -6.992 -16.886 -15.827 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -5.316 -16.377 -17.396 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -4.740 -14.993 -16.487 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.665 -15.417 -15.986 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.095 -16.896 -15.206 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.703 -14.767 -13.925 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.949 -14.898 -13.181 1.00 0.51 C ATOM 1849 C ARG A 117 -10.989 -13.899 -13.680 1.00 2.44 C ATOM 1850 O ARG A 117 -12.192 -14.149 -13.607 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.700 -14.687 -11.686 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.541 -15.506 -11.141 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.712 -16.986 -11.446 1.00 72.54 C ATOM 1854 NE ARG A 117 -8.416 -17.821 -10.285 1.00 64.15 N ATOM 1855 CZ ARG A 117 -8.852 -19.069 -10.148 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -9.597 -19.623 -11.094 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -8.542 -19.765 -9.061 1.00 63.20 N ATOM 0 H ARG A 117 -7.889 -14.549 -13.350 1.00 54.30 H new ATOM 0 HA ARG A 117 -10.333 -15.906 -13.340 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.504 -13.630 -11.504 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.605 -14.943 -11.136 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.607 -15.150 -11.575 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.467 -15.362 -10.063 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -9.734 -17.173 -11.776 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -8.055 -17.265 -12.270 1.00 72.54 H new ATOM 0 HE ARG A 117 -7.844 -17.425 -9.539 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -9.837 -19.091 -11.931 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -9.930 -20.581 -10.985 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -7.969 -19.342 -8.331 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -8.877 -20.723 -8.956 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.516 -12.764 -14.186 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.404 -11.727 -14.697 1.00 4.21 C ATOM 1873 C VAL A 118 -12.289 -12.264 -15.816 1.00 14.31 C ATOM 1874 O VAL A 118 -13.513 -12.133 -15.771 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.609 -10.516 -15.222 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.553 -9.447 -15.754 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -9.714 -9.953 -14.129 1.00 2.43 C ATOM 0 H VAL A 118 -9.523 -12.540 -14.253 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.030 -11.408 -13.864 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.975 -10.848 -16.044 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -10.974 -8.600 -16.120 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.148 -9.860 -16.569 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.215 -9.115 -14.954 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.160 -9.098 -14.517 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.326 -9.636 -13.285 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.014 -10.721 -13.801 1.00 2.43 H new ATOM 1887 N ARG A 119 -11.663 -12.868 -16.820 1.00 45.44 N ATOM 1888 CA ARG A 119 -12.393 -13.424 -17.953 1.00 54.32 C ATOM 1889 C ARG A 119 -13.230 -14.626 -17.523 1.00 31.42 C ATOM 1890 O ARG A 119 -14.398 -14.744 -17.893 1.00 55.43 O ATOM 1891 CB ARG A 119 -11.422 -13.837 -19.061 1.00 34.42 C ATOM 1892 CG ARG A 119 -10.493 -12.719 -19.504 1.00 12.01 C ATOM 1893 CD ARG A 119 -9.273 -13.262 -20.232 1.00 74.24 C ATOM 1894 NE ARG A 119 -9.511 -13.409 -21.665 1.00 63.02 N ATOM 1895 CZ ARG A 119 -8.578 -13.791 -22.530 1.00 41.21 C ATOM 1896 NH1 ARG A 119 -7.352 -14.064 -22.108 1.00 65.13 N1+ ATOM 1897 NH2 ARG A 119 -8.871 -13.901 -23.819 1.00 64.13 N ATOM 0 H ARG A 119 -10.651 -12.985 -16.872 1.00 45.44 H new ATOM 0 HA ARG A 119 -13.062 -12.653 -18.335 1.00 54.32 H new ATOM 0 HB2 ARG A 119 -10.823 -14.679 -18.713 1.00 34.42 H new ATOM 0 HB3 ARG A 119 -11.993 -14.186 -19.921 1.00 34.42 H new ATOM 0 HG2 ARG A 119 -11.033 -12.034 -20.158 1.00 12.01 H new ATOM 0 HG3 ARG A 119 -10.173 -12.145 -18.635 1.00 12.01 H new ATOM 0 HD2 ARG A 119 -8.428 -12.593 -20.072 1.00 74.24 H new ATOM 0 HD3 ARG A 119 -8.999 -14.229 -19.809 1.00 74.24 H new ATOM 0 HE ARG A 119 -10.445 -13.207 -22.022 1.00 63.02 H new ATOM 0 HH11 ARG A 119 -7.123 -13.981 -21.117 1.00 65.13 H new ATOM 0 HH12 ARG A 119 -6.637 -14.357 -22.774 1.00 65.13 H new ATOM 0 HH21 ARG A 119 -9.814 -13.692 -24.147 1.00 64.13 H new ATOM 0 HH22 ARG A 119 -8.153 -14.194 -24.482 1.00 64.13 H new ATOM 1911 N GLU A 120 -12.624 -15.513 -16.740 1.00 3.12 N ATOM 1912 CA GLU A 120 -13.314 -16.704 -16.261 1.00 33.03 C ATOM 1913 C GLU A 120 -14.577 -16.329 -15.489 1.00 32.20 C ATOM 1914 O GLU A 120 -15.633 -16.934 -15.674 1.00 44.34 O ATOM 1915 CB GLU A 120 -12.388 -17.534 -15.370 1.00 30.44 C ATOM 1916 CG GLU A 120 -11.520 -18.515 -16.141 1.00 1.51 C ATOM 1917 CD GLU A 120 -10.681 -19.391 -15.232 1.00 53.43 C ATOM 1918 OE1 GLU A 120 -10.233 -18.893 -14.177 1.00 71.34 O1- ATOM 1919 OE2 GLU A 120 -10.470 -20.573 -15.574 1.00 11.10 O ATOM 0 H GLU A 120 -11.658 -15.429 -16.424 1.00 3.12 H new ATOM 0 HA GLU A 120 -13.601 -17.298 -17.128 1.00 33.03 H new ATOM 0 HB2 GLU A 120 -11.745 -16.861 -14.802 1.00 30.44 H new ATOM 0 HB3 GLU A 120 -12.990 -18.085 -14.648 1.00 30.44 H new ATOM 0 HG2 GLU A 120 -12.156 -19.146 -16.762 1.00 1.51 H new ATOM 0 HG3 GLU A 120 -10.864 -17.963 -16.814 1.00 1.51 H new ATOM 1926 N ALA A 121 -14.459 -15.328 -14.624 1.00 41.02 N ATOM 1927 CA ALA A 121 -15.589 -14.871 -13.825 1.00 30.52 C ATOM 1928 C ALA A 121 -16.532 -14.005 -14.653 1.00 21.14 C ATOM 1929 O ALA A 121 -17.719 -13.896 -14.347 1.00 23.24 O ATOM 1930 CB ALA A 121 -15.098 -14.104 -12.606 1.00 61.44 C ATOM 0 H ALA A 121 -13.592 -14.817 -14.458 1.00 41.02 H new ATOM 0 HA ALA A 121 -16.143 -15.748 -13.490 1.00 30.52 H new ATOM 0 HB1 ALA A 121 -15.953 -13.769 -12.019 1.00 61.44 H new ATOM 0 HB2 ALA A 121 -14.471 -14.754 -11.996 1.00 61.44 H new ATOM 0 HB3 ALA A 121 -14.518 -13.239 -12.929 1.00 61.44 H new ATOM 1936 N GLU A 122 -15.995 -13.390 -15.703 1.00 33.52 N ATOM 1937 CA GLU A 122 -16.789 -12.533 -16.575 1.00 11.20 C ATOM 1938 C GLU A 122 -17.665 -13.365 -17.507 1.00 55.40 C ATOM 1939 O GLU A 122 -18.794 -12.985 -17.820 1.00 21.30 O ATOM 1940 CB GLU A 122 -15.878 -11.617 -17.395 1.00 64.21 C ATOM 1941 CG GLU A 122 -15.561 -10.300 -16.708 1.00 13.33 C ATOM 1942 CD GLU A 122 -14.507 -9.496 -17.445 1.00 3.12 C ATOM 1943 OE1 GLU A 122 -14.009 -9.983 -18.481 1.00 51.22 O1- ATOM 1944 OE2 GLU A 122 -14.183 -8.381 -16.986 1.00 65.03 O ATOM 0 H GLU A 122 -15.014 -13.470 -15.970 1.00 33.52 H new ATOM 0 HA GLU A 122 -17.437 -11.921 -15.947 1.00 11.20 H new ATOM 0 HB2 GLU A 122 -14.946 -12.141 -17.606 1.00 64.21 H new ATOM 0 HB3 GLU A 122 -16.352 -11.411 -18.355 1.00 64.21 H new ATOM 0 HG2 GLU A 122 -16.473 -9.708 -16.627 1.00 13.33 H new ATOM 0 HG3 GLU A 122 -15.218 -10.498 -15.693 1.00 13.33 H new ATOM 1951 N ARG A 123 -17.136 -14.502 -17.947 1.00 41.24 N ATOM 1952 CA ARG A 123 -17.867 -15.389 -18.845 1.00 72.40 C ATOM 1953 C ARG A 123 -19.245 -15.721 -18.278 1.00 72.21 C ATOM 1954 O ARG A 123 -20.236 -15.748 -19.005 1.00 44.14 O ATOM 1955 CB ARG A 123 -17.076 -16.677 -19.080 1.00 64.22 C ATOM 1956 CG ARG A 123 -15.821 -16.476 -19.914 1.00 70.24 C ATOM 1957 CD ARG A 123 -16.084 -16.738 -21.389 1.00 32.51 C ATOM 1958 NE ARG A 123 -15.145 -16.022 -22.248 1.00 10.34 N ATOM 1959 CZ ARG A 123 -13.916 -16.452 -22.512 1.00 11.52 C ATOM 1960 NH1 ARG A 123 -13.480 -17.589 -21.986 1.00 52.13 N1+ ATOM 1961 NH2 ARG A 123 -13.119 -15.746 -23.303 1.00 40.43 N ATOM 0 H ARG A 123 -16.204 -14.831 -17.696 1.00 41.24 H new ATOM 0 HA ARG A 123 -17.999 -14.874 -19.796 1.00 72.40 H new ATOM 0 HB2 ARG A 123 -16.797 -17.104 -18.116 1.00 64.22 H new ATOM 0 HB3 ARG A 123 -17.720 -17.403 -19.576 1.00 64.22 H new ATOM 0 HG2 ARG A 123 -15.456 -15.457 -19.784 1.00 70.24 H new ATOM 0 HG3 ARG A 123 -15.036 -17.144 -19.559 1.00 70.24 H new ATOM 0 HD2 ARG A 123 -16.012 -17.808 -21.586 1.00 32.51 H new ATOM 0 HD3 ARG A 123 -17.102 -16.437 -21.635 1.00 32.51 H new ATOM 0 HE ARG A 123 -15.449 -15.144 -22.668 1.00 10.34 H new ATOM 0 HH11 ARG A 123 -14.089 -18.136 -21.377 1.00 52.13 H new ATOM 0 HH12 ARG A 123 -12.536 -17.917 -22.191 1.00 52.13 H new ATOM 0 HH21 ARG A 123 -13.449 -14.871 -23.710 1.00 40.43 H new ATOM 0 HH22 ARG A 123 -12.176 -16.078 -23.504 1.00 40.43 H new ATOM 1975 N GLY A 124 -19.295 -15.974 -16.973 1.00 5.13 N ATOM 1976 CA GLY A 124 -20.555 -16.302 -16.331 1.00 42.31 C ATOM 1977 C GLY A 124 -20.417 -16.457 -14.829 1.00 72.23 C ATOM 1978 O GLY A 124 -21.279 -16.013 -14.071 1.00 21.50 O ATOM 0 H GLY A 124 -18.487 -15.958 -16.350 1.00 5.13 H new ATOM 0 HA2 GLY A 124 -21.284 -15.521 -16.547 1.00 42.31 H new ATOM 0 HA3 GLY A 124 -20.945 -17.228 -16.754 1.00 42.31 H new TER 1982 GLY A 124