USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 744 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 62 SER OG : rot 150:sc= 0.228 USER MOD Set 1.2: A 71 SER OG : rot 124:sc= 0.308 USER MOD Set 2.1: A 17 SER OG : rot -170:sc= -2.46! USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 GLN : amide:sc= 0.0481 X(o=-2.9,f=-3.3) USER MOD Set 3.2: A 53 SER OG : rot -134:sc= -2.96! USER MOD Set 4.1: A 43 ASN :FLIP amide:sc= -7.06! C(o=-13!,f=-11!) USER MOD Set 4.2: A 58 THR OG1 : rot -172:sc= -3.48! USER MOD Set 5.1: A 7 THR OG1 : rot -150:sc= 0.208 USER MOD Set 5.2: A 93 ASN : amide:sc= -1.28 K(o=-1.1,f=-4.6!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -7.45! C(o=-7.5!,f=-15!) USER MOD Single : A 11 THR OG1 : rot 39:sc= -1.05 USER MOD Single : A 12 GLN : amide:sc= -0.0878 K(o=-0.088,f=-1.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 29 GLN : amide:sc= -0.0786 K(o=-0.079,f=-0.89) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 69:sc= -0.912 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.9! C(o=-5.9!,f=-11!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -0.449 F(o=-2,f=-0.45) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.28! C(o=-1.3!,f=-4.8!) USER MOD Single : A 57 GLN : amide:sc= -0.0019 X(o=-0.0019,f=-0.13) USER MOD Single : A 60 TYR OH : rot -34:sc= 1.48 USER MOD Single : A 61 ASN : amide:sc= -0.0011 K(o=-0.0011,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 67 SER OG : rot 104:sc= 0.00342 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00506 USER MOD Single : A 77 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.5) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0305 K(o=-0.031,f=-1.6!) USER MOD Single : A 82 THR OG1 : rot 47:sc= 0.821 USER MOD Single : A 83 SER OG : rot -53:sc= -2.17! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -7.54! C(o=-10!,f=-7.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 5:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 3.013 -1.888 0.952 1.00 3.93 N ATOM 2 CA GLY A -1 3.792 -2.657 -0.058 1.00 3.35 C ATOM 3 C GLY A -1 3.155 -2.622 -1.435 1.00 2.34 C ATOM 4 O GLY A -1 1.949 -2.829 -1.573 1.00 2.68 O ATOM 0 H1 GLY A -1 3.490 -1.944 1.874 1.00 3.93 H new ATOM 0 H2 GLY A -1 2.947 -0.893 0.656 1.00 3.93 H new ATOM 0 H3 GLY A -1 2.057 -2.289 1.032 1.00 3.93 H new ATOM 0 HA2 GLY A -1 4.802 -2.252 -0.118 1.00 3.35 H new ATOM 0 HA3 GLY A -1 3.883 -3.692 0.270 1.00 3.35 H new ATOM 10 N LEU A 1 3.967 -2.361 -2.456 1.00 1.63 N ATOM 11 CA LEU A 1 3.475 -2.299 -3.830 1.00 0.95 C ATOM 12 C LEU A 1 4.514 -2.843 -4.807 1.00 0.88 C ATOM 13 O LEU A 1 4.589 -2.408 -5.954 1.00 1.90 O ATOM 14 CB LEU A 1 3.120 -0.857 -4.200 1.00 1.35 C ATOM 15 CG LEU A 1 2.109 -0.710 -5.338 1.00 1.79 C ATOM 16 CD1 LEU A 1 0.691 -0.675 -4.789 1.00 2.57 C ATOM 17 CD2 LEU A 1 2.400 0.543 -6.151 1.00 2.28 C ATOM 0 H LEU A 1 4.968 -2.189 -2.358 1.00 1.63 H new ATOM 0 HA LEU A 1 2.580 -2.918 -3.897 1.00 0.95 H new ATOM 0 HB2 LEU A 1 2.723 -0.358 -3.316 1.00 1.35 H new ATOM 0 HB3 LEU A 1 4.035 -0.334 -4.478 1.00 1.35 H new ATOM 0 HG LEU A 1 2.201 -1.574 -5.996 1.00 1.79 H new ATOM 0 HD11 LEU A 1 -0.015 -0.570 -5.612 1.00 2.57 H new ATOM 0 HD12 LEU A 1 0.486 -1.601 -4.251 1.00 2.57 H new ATOM 0 HD13 LEU A 1 0.585 0.171 -4.110 1.00 2.57 H new ATOM 0 HD21 LEU A 1 1.671 0.632 -6.956 1.00 2.28 H new ATOM 0 HD22 LEU A 1 2.336 1.419 -5.505 1.00 2.28 H new ATOM 0 HD23 LEU A 1 3.402 0.477 -6.574 1.00 2.28 H new ATOM 29 N GLY A 2 5.316 -3.794 -4.339 1.00 0.58 N ATOM 30 CA GLY A 2 6.350 -4.385 -5.172 1.00 0.36 C ATOM 31 C GLY A 2 7.595 -4.702 -4.368 1.00 0.57 C ATOM 32 O GLY A 2 7.658 -5.722 -3.681 1.00 1.63 O ATOM 0 H GLY A 2 5.268 -4.169 -3.391 1.00 0.58 H new ATOM 0 HA2 GLY A 2 5.971 -5.297 -5.633 1.00 0.36 H new ATOM 0 HA3 GLY A 2 6.603 -3.700 -5.982 1.00 0.36 H new ATOM 36 N LYS A 3 8.579 -3.813 -4.438 1.00 0.46 N ATOM 37 CA LYS A 3 9.826 -3.980 -3.701 1.00 0.32 C ATOM 38 C LYS A 3 10.619 -5.182 -4.201 1.00 0.27 C ATOM 39 O LYS A 3 10.602 -6.251 -3.592 1.00 0.29 O ATOM 40 CB LYS A 3 9.540 -4.113 -2.205 1.00 0.27 C ATOM 41 CG LYS A 3 8.624 -3.023 -1.677 1.00 0.90 C ATOM 42 CD LYS A 3 8.534 -3.044 -0.161 1.00 1.09 C ATOM 43 CE LYS A 3 7.972 -1.737 0.375 1.00 1.28 C ATOM 44 NZ LYS A 3 7.939 -1.711 1.862 1.00 1.82 N ATOM 0 H LYS A 3 8.536 -2.964 -5.002 1.00 0.46 H new ATOM 0 HA LYS A 3 10.435 -3.092 -3.870 1.00 0.32 H new ATOM 0 HB2 LYS A 3 9.087 -5.086 -2.012 1.00 0.27 H new ATOM 0 HB3 LYS A 3 10.482 -4.086 -1.657 1.00 0.27 H new ATOM 0 HG2 LYS A 3 8.990 -2.050 -2.005 1.00 0.90 H new ATOM 0 HG3 LYS A 3 7.628 -3.149 -2.102 1.00 0.90 H new ATOM 0 HD2 LYS A 3 7.901 -3.872 0.157 1.00 1.09 H new ATOM 0 HD3 LYS A 3 9.523 -3.218 0.262 1.00 1.09 H new ATOM 0 HE2 LYS A 3 8.577 -0.906 0.012 1.00 1.28 H new ATOM 0 HE3 LYS A 3 6.964 -1.590 -0.012 1.00 1.28 H new ATOM 0 HZ1 LYS A 3 7.549 -0.802 2.185 1.00 1.82 H new ATOM 0 HZ2 LYS A 3 7.341 -2.488 2.210 1.00 1.82 H new ATOM 0 HZ3 LYS A 3 8.904 -1.825 2.233 1.00 1.82 H new ATOM 58 N PHE A 4 11.333 -4.982 -5.304 1.00 0.24 N ATOM 59 CA PHE A 4 12.157 -6.036 -5.894 1.00 0.22 C ATOM 60 C PHE A 4 13.585 -5.967 -5.358 1.00 0.17 C ATOM 61 O PHE A 4 14.230 -6.992 -5.145 1.00 0.18 O ATOM 62 CB PHE A 4 12.160 -5.918 -7.423 1.00 0.24 C ATOM 63 CG PHE A 4 12.962 -4.759 -7.947 1.00 0.22 C ATOM 64 CD1 PHE A 4 12.404 -3.494 -8.027 1.00 0.21 C ATOM 65 CD2 PHE A 4 14.272 -4.938 -8.358 1.00 0.25 C ATOM 66 CE1 PHE A 4 13.140 -2.428 -8.507 1.00 0.21 C ATOM 67 CE2 PHE A 4 15.013 -3.876 -8.839 1.00 0.26 C ATOM 68 CZ PHE A 4 14.447 -2.619 -8.913 1.00 0.22 C ATOM 0 H PHE A 4 11.359 -4.097 -5.810 1.00 0.24 H new ATOM 0 HA PHE A 4 11.730 -7.000 -5.617 1.00 0.22 H new ATOM 0 HB2 PHE A 4 12.555 -6.841 -7.847 1.00 0.24 H new ATOM 0 HB3 PHE A 4 11.132 -5.822 -7.771 1.00 0.24 H new ATOM 0 HD1 PHE A 4 11.383 -3.339 -7.711 1.00 0.21 H new ATOM 0 HD2 PHE A 4 14.720 -5.919 -8.302 1.00 0.25 H new ATOM 0 HE1 PHE A 4 12.694 -1.446 -8.565 1.00 0.21 H new ATOM 0 HE2 PHE A 4 16.034 -4.029 -9.157 1.00 0.26 H new ATOM 0 HZ PHE A 4 15.024 -1.787 -9.287 1.00 0.22 H new ATOM 78 N ILE A 5 14.072 -4.749 -5.144 1.00 0.15 N ATOM 79 CA ILE A 5 15.426 -4.550 -4.640 1.00 0.13 C ATOM 80 C ILE A 5 15.598 -5.143 -3.249 1.00 0.14 C ATOM 81 O ILE A 5 16.720 -5.402 -2.814 1.00 0.15 O ATOM 82 CB ILE A 5 15.793 -3.053 -4.593 1.00 0.15 C ATOM 83 CG1 ILE A 5 17.301 -2.883 -4.407 1.00 0.19 C ATOM 84 CG2 ILE A 5 15.035 -2.343 -3.478 1.00 0.20 C ATOM 85 CD1 ILE A 5 18.060 -2.788 -5.710 1.00 0.21 C ATOM 0 H ILE A 5 13.551 -3.888 -5.311 1.00 0.15 H new ATOM 0 HA ILE A 5 16.093 -5.064 -5.332 1.00 0.13 H new ATOM 0 HB ILE A 5 15.504 -2.599 -5.541 1.00 0.15 H new ATOM 0 HG12 ILE A 5 17.488 -1.984 -3.820 1.00 0.19 H new ATOM 0 HG13 ILE A 5 17.686 -3.725 -3.832 1.00 0.19 H new ATOM 0 HG21 ILE A 5 15.311 -1.288 -3.465 1.00 0.20 H new ATOM 0 HG22 ILE A 5 13.963 -2.436 -3.651 1.00 0.20 H new ATOM 0 HG23 ILE A 5 15.289 -2.796 -2.520 1.00 0.20 H new ATOM 0 HD11 ILE A 5 19.124 -2.669 -5.504 1.00 0.21 H new ATOM 0 HD12 ILE A 5 17.903 -3.697 -6.290 1.00 0.21 H new ATOM 0 HD13 ILE A 5 17.702 -1.929 -6.278 1.00 0.21 H new ATOM 97 N GLU A 6 14.490 -5.370 -2.552 1.00 0.15 N ATOM 98 CA GLU A 6 14.552 -5.944 -1.212 1.00 0.16 C ATOM 99 C GLU A 6 14.848 -7.441 -1.267 1.00 0.14 C ATOM 100 O GLU A 6 15.424 -8.001 -0.334 1.00 0.14 O ATOM 101 CB GLU A 6 13.236 -5.704 -0.470 1.00 0.19 C ATOM 102 CG GLU A 6 13.065 -4.274 0.015 1.00 0.72 C ATOM 103 CD GLU A 6 13.601 -4.068 1.418 1.00 1.32 C ATOM 104 OE1 GLU A 6 14.434 -4.886 1.862 1.00 2.01 O ATOM 105 OE2 GLU A 6 13.188 -3.088 2.073 1.00 1.98 O ATOM 0 H GLU A 6 13.548 -5.168 -2.887 1.00 0.15 H new ATOM 0 HA GLU A 6 15.363 -5.452 -0.675 1.00 0.16 H new ATOM 0 HB2 GLU A 6 12.405 -5.958 -1.129 1.00 0.19 H new ATOM 0 HB3 GLU A 6 13.182 -6.378 0.385 1.00 0.19 H new ATOM 0 HG2 GLU A 6 13.578 -3.598 -0.669 1.00 0.72 H new ATOM 0 HG3 GLU A 6 12.008 -4.010 -0.009 1.00 0.72 H new ATOM 112 N THR A 7 14.460 -8.083 -2.365 1.00 0.14 N ATOM 113 CA THR A 7 14.697 -9.512 -2.537 1.00 0.15 C ATOM 114 C THR A 7 15.586 -9.791 -3.751 1.00 0.16 C ATOM 115 O THR A 7 15.674 -10.928 -4.214 1.00 0.33 O ATOM 116 CB THR A 7 13.368 -10.255 -2.675 1.00 0.17 C ATOM 117 OG1 THR A 7 12.602 -9.716 -3.737 1.00 0.23 O ATOM 118 CG2 THR A 7 12.521 -10.203 -1.421 1.00 0.27 C ATOM 0 H THR A 7 13.981 -7.637 -3.147 1.00 0.14 H new ATOM 0 HA THR A 7 15.219 -9.872 -1.651 1.00 0.15 H new ATOM 0 HB THR A 7 13.634 -11.294 -2.869 1.00 0.17 H new ATOM 0 HG1 THR A 7 11.648 -9.826 -3.541 1.00 0.23 H new ATOM 0 HG21 THR A 7 11.592 -10.749 -1.586 1.00 0.27 H new ATOM 0 HG22 THR A 7 13.067 -10.657 -0.594 1.00 0.27 H new ATOM 0 HG23 THR A 7 12.293 -9.165 -1.179 1.00 0.27 H new ATOM 126 N CYS A 8 16.233 -8.754 -4.275 1.00 0.16 N ATOM 127 CA CYS A 8 17.091 -8.914 -5.440 1.00 0.16 C ATOM 128 C CYS A 8 18.463 -8.290 -5.209 1.00 0.14 C ATOM 129 O CYS A 8 18.605 -7.330 -4.451 1.00 0.15 O ATOM 130 CB CYS A 8 16.432 -8.290 -6.673 1.00 0.17 C ATOM 131 SG CYS A 8 14.792 -8.983 -7.071 1.00 0.17 S ATOM 0 H CYS A 8 16.179 -7.802 -3.913 1.00 0.16 H new ATOM 0 HA CYS A 8 17.229 -9.982 -5.609 1.00 0.16 H new ATOM 0 HB2 CYS A 8 16.332 -7.216 -6.514 1.00 0.17 H new ATOM 0 HB3 CYS A 8 17.090 -8.426 -7.531 1.00 0.17 H new ATOM 136 N ARG A 9 19.468 -8.845 -5.876 1.00 0.13 N ATOM 137 CA ARG A 9 20.835 -8.356 -5.755 1.00 0.13 C ATOM 138 C ARG A 9 21.472 -8.192 -7.128 1.00 0.11 C ATOM 139 O ARG A 9 20.890 -8.578 -8.141 1.00 0.11 O ATOM 140 CB ARG A 9 21.673 -9.314 -4.904 1.00 0.16 C ATOM 141 CG ARG A 9 21.543 -10.769 -5.321 1.00 0.23 C ATOM 142 CD ARG A 9 22.446 -11.671 -4.494 1.00 0.60 C ATOM 143 NE ARG A 9 23.255 -12.553 -5.334 1.00 1.16 N ATOM 144 CZ ARG A 9 24.330 -13.208 -4.902 1.00 1.66 C ATOM 145 NH1 ARG A 9 24.734 -13.079 -3.644 1.00 1.89 N ATOM 146 NH2 ARG A 9 25.004 -13.993 -5.731 1.00 2.56 N ATOM 0 H ARG A 9 19.360 -9.638 -6.509 1.00 0.13 H new ATOM 0 HA ARG A 9 20.804 -7.383 -5.266 1.00 0.13 H new ATOM 0 HB2 ARG A 9 22.721 -9.019 -4.965 1.00 0.16 H new ATOM 0 HB3 ARG A 9 21.374 -9.216 -3.860 1.00 0.16 H new ATOM 0 HG2 ARG A 9 20.507 -11.089 -5.209 1.00 0.23 H new ATOM 0 HG3 ARG A 9 21.795 -10.870 -6.377 1.00 0.23 H new ATOM 0 HD2 ARG A 9 23.101 -11.059 -3.874 1.00 0.60 H new ATOM 0 HD3 ARG A 9 21.838 -12.272 -3.818 1.00 0.60 H new ATOM 0 HE ARG A 9 22.979 -12.673 -6.309 1.00 1.16 H new ATOM 0 HH11 ARG A 9 24.220 -12.475 -3.003 1.00 1.89 H new ATOM 0 HH12 ARG A 9 25.559 -13.584 -3.319 1.00 1.89 H new ATOM 0 HH21 ARG A 9 24.699 -14.094 -6.699 1.00 2.56 H new ATOM 0 HH22 ARG A 9 25.828 -14.495 -5.401 1.00 2.56 H new ATOM 160 N ASN A 10 22.670 -7.611 -7.155 1.00 0.12 N ATOM 161 CA ASN A 10 23.402 -7.389 -8.400 1.00 0.12 C ATOM 162 C ASN A 10 22.527 -6.733 -9.465 1.00 0.10 C ATOM 163 O ASN A 10 22.391 -7.245 -10.576 1.00 0.10 O ATOM 164 CB ASN A 10 23.993 -8.704 -8.924 1.00 0.13 C ATOM 165 CG ASN A 10 22.941 -9.695 -9.384 1.00 0.28 C ATOM 166 OD1 ASN A 10 22.381 -10.438 -8.579 1.00 0.46 O ATOM 167 ND2 ASN A 10 22.677 -9.722 -10.685 1.00 1.24 N ATOM 0 H ASN A 10 23.157 -7.283 -6.321 1.00 0.12 H new ATOM 0 HA ASN A 10 24.219 -6.702 -8.178 1.00 0.12 H new ATOM 0 HB2 ASN A 10 24.665 -8.487 -9.754 1.00 0.13 H new ATOM 0 HB3 ASN A 10 24.595 -9.162 -8.139 1.00 0.13 H new ATOM 0 HD21 ASN A 10 21.986 -10.377 -11.052 1.00 1.24 H new ATOM 0 HD22 ASN A 10 23.165 -9.088 -11.318 1.00 1.24 H new ATOM 174 N THR A 11 21.955 -5.582 -9.128 1.00 0.09 N ATOM 175 CA THR A 11 21.123 -4.850 -10.071 1.00 0.08 C ATOM 176 C THR A 11 22.005 -4.084 -11.048 1.00 0.08 C ATOM 177 O THR A 11 22.971 -3.432 -10.651 1.00 0.09 O ATOM 178 CB THR A 11 20.180 -3.892 -9.339 1.00 0.10 C ATOM 179 OG1 THR A 11 20.841 -3.267 -8.254 1.00 0.32 O ATOM 180 CG2 THR A 11 18.943 -4.573 -8.794 1.00 0.34 C ATOM 0 H THR A 11 22.052 -5.139 -8.214 1.00 0.09 H new ATOM 0 HA THR A 11 20.513 -5.564 -10.624 1.00 0.08 H new ATOM 0 HB THR A 11 19.874 -3.160 -10.087 1.00 0.10 H new ATOM 0 HG1 THR A 11 21.762 -3.052 -8.512 1.00 0.32 H new ATOM 0 HG21 THR A 11 18.317 -3.839 -8.287 1.00 0.34 H new ATOM 0 HG22 THR A 11 18.383 -5.022 -9.615 1.00 0.34 H new ATOM 0 HG23 THR A 11 19.237 -5.349 -8.087 1.00 0.34 H new ATOM 188 N GLN A 12 21.671 -4.171 -12.327 1.00 0.07 N ATOM 189 CA GLN A 12 22.443 -3.490 -13.361 1.00 0.08 C ATOM 190 C GLN A 12 21.616 -3.260 -14.612 1.00 0.07 C ATOM 191 O GLN A 12 20.569 -3.878 -14.802 1.00 0.07 O ATOM 192 CB GLN A 12 23.716 -4.271 -13.697 1.00 0.09 C ATOM 193 CG GLN A 12 23.461 -5.686 -14.187 1.00 0.16 C ATOM 194 CD GLN A 12 24.658 -6.271 -14.910 1.00 0.58 C ATOM 195 OE1 GLN A 12 25.484 -5.541 -15.459 1.00 1.33 O ATOM 196 NE2 GLN A 12 24.760 -7.595 -14.912 1.00 1.35 N ATOM 0 H GLN A 12 20.874 -4.704 -12.675 1.00 0.07 H new ATOM 0 HA GLN A 12 22.729 -2.516 -12.965 1.00 0.08 H new ATOM 0 HB2 GLN A 12 24.272 -3.728 -14.461 1.00 0.09 H new ATOM 0 HB3 GLN A 12 24.349 -4.313 -12.811 1.00 0.09 H new ATOM 0 HG2 GLN A 12 23.206 -6.321 -13.339 1.00 0.16 H new ATOM 0 HG3 GLN A 12 22.600 -5.687 -14.856 1.00 0.16 H new ATOM 0 HE21 GLN A 12 24.052 -8.162 -14.444 1.00 1.35 H new ATOM 0 HE22 GLN A 12 25.546 -8.045 -15.381 1.00 1.35 H new ATOM 205 N LEU A 13 22.098 -2.365 -15.464 1.00 0.08 N ATOM 206 CA LEU A 13 21.406 -2.040 -16.699 1.00 0.08 C ATOM 207 C LEU A 13 21.987 -2.814 -17.866 1.00 0.08 C ATOM 208 O LEU A 13 23.204 -2.926 -18.016 1.00 0.09 O ATOM 209 CB LEU A 13 21.511 -0.551 -17.000 1.00 0.09 C ATOM 210 CG LEU A 13 20.839 -0.126 -18.308 1.00 0.08 C ATOM 211 CD1 LEU A 13 19.696 0.830 -18.032 1.00 0.09 C ATOM 212 CD2 LEU A 13 21.849 0.499 -19.261 1.00 0.09 C ATOM 0 H LEU A 13 22.967 -1.851 -15.320 1.00 0.08 H new ATOM 0 HA LEU A 13 20.359 -2.315 -16.567 1.00 0.08 H new ATOM 0 HB2 LEU A 13 21.064 0.007 -16.177 1.00 0.09 H new ATOM 0 HB3 LEU A 13 22.564 -0.273 -17.039 1.00 0.09 H new ATOM 0 HG LEU A 13 20.433 -1.017 -18.787 1.00 0.08 H new ATOM 0 HD11 LEU A 13 19.230 1.121 -18.973 1.00 0.09 H new ATOM 0 HD12 LEU A 13 18.957 0.340 -17.398 1.00 0.09 H new ATOM 0 HD13 LEU A 13 20.078 1.717 -17.526 1.00 0.09 H new ATOM 0 HD21 LEU A 13 21.346 0.792 -20.183 1.00 0.09 H new ATOM 0 HD22 LEU A 13 22.294 1.378 -18.795 1.00 0.09 H new ATOM 0 HD23 LEU A 13 22.631 -0.225 -19.489 1.00 0.09 H new ATOM 224 N ALA A 14 21.101 -3.334 -18.696 1.00 0.08 N ATOM 225 CA ALA A 14 21.490 -4.089 -19.867 1.00 0.09 C ATOM 226 C ALA A 14 20.945 -3.403 -21.113 1.00 0.09 C ATOM 227 O ALA A 14 19.878 -2.784 -21.068 1.00 0.09 O ATOM 228 CB ALA A 14 20.972 -5.515 -19.758 1.00 0.10 C ATOM 0 H ALA A 14 20.092 -3.243 -18.575 1.00 0.08 H new ATOM 0 HA ALA A 14 22.577 -4.128 -19.938 1.00 0.09 H new ATOM 0 HB1 ALA A 14 21.268 -6.078 -20.643 1.00 0.10 H new ATOM 0 HB2 ALA A 14 21.391 -5.988 -18.870 1.00 0.10 H new ATOM 0 HB3 ALA A 14 19.885 -5.502 -19.683 1.00 0.10 H new ATOM 234 N GLY A 15 21.684 -3.477 -22.213 1.00 0.11 N ATOM 235 CA GLY A 15 21.240 -2.824 -23.431 1.00 0.11 C ATOM 236 C GLY A 15 21.019 -1.339 -23.215 1.00 0.11 C ATOM 237 O GLY A 15 21.657 -0.736 -22.352 1.00 0.11 O ATOM 0 H GLY A 15 22.573 -3.972 -22.285 1.00 0.11 H new ATOM 0 HA2 GLY A 15 21.981 -2.972 -24.216 1.00 0.11 H new ATOM 0 HA3 GLY A 15 20.314 -3.285 -23.776 1.00 0.11 H new ATOM 241 N SER A 16 20.128 -0.741 -23.999 1.00 0.11 N ATOM 242 CA SER A 16 19.853 0.688 -23.875 1.00 0.12 C ATOM 243 C SER A 16 18.790 0.958 -22.821 1.00 0.12 C ATOM 244 O SER A 16 18.868 1.946 -22.092 1.00 0.12 O ATOM 245 CB SER A 16 19.379 1.256 -25.210 1.00 0.13 C ATOM 246 OG SER A 16 20.104 0.698 -26.293 1.00 0.13 O ATOM 0 H SER A 16 19.588 -1.217 -24.721 1.00 0.11 H new ATOM 0 HA SER A 16 20.781 1.173 -23.573 1.00 0.12 H new ATOM 0 HB2 SER A 16 18.316 1.052 -25.338 1.00 0.13 H new ATOM 0 HB3 SER A 16 19.498 2.339 -25.210 1.00 0.13 H new ATOM 0 HG SER A 16 19.778 1.078 -27.135 1.00 0.13 H new ATOM 252 N SER A 17 17.804 0.073 -22.728 1.00 0.11 N ATOM 253 CA SER A 17 16.739 0.208 -21.757 1.00 0.12 C ATOM 254 C SER A 17 16.339 -1.188 -21.278 1.00 0.10 C ATOM 255 O SER A 17 15.242 -1.668 -21.566 1.00 0.12 O ATOM 256 CB SER A 17 15.556 0.922 -22.407 1.00 0.15 C ATOM 257 OG SER A 17 15.292 0.387 -23.691 1.00 0.16 O ATOM 0 H SER A 17 17.726 -0.752 -23.323 1.00 0.11 H new ATOM 0 HA SER A 17 17.068 0.797 -20.901 1.00 0.12 H new ATOM 0 HB2 SER A 17 14.673 0.820 -21.777 1.00 0.15 H new ATOM 0 HB3 SER A 17 15.768 1.988 -22.488 1.00 0.15 H new ATOM 0 HG SER A 17 14.641 0.954 -24.154 1.00 0.16 H new ATOM 263 N GLU A 18 17.214 -1.793 -20.482 1.00 0.09 N ATOM 264 CA GLU A 18 16.947 -3.092 -19.875 1.00 0.08 C ATOM 265 C GLU A 18 17.575 -3.202 -18.495 1.00 0.07 C ATOM 266 O GLU A 18 18.697 -2.748 -18.289 1.00 0.08 O ATOM 267 CB GLU A 18 17.377 -4.251 -20.775 1.00 0.09 C ATOM 268 CG GLU A 18 16.347 -4.578 -21.840 1.00 0.10 C ATOM 269 CD GLU A 18 16.803 -4.227 -23.243 1.00 0.12 C ATOM 270 OE1 GLU A 18 17.651 -3.321 -23.384 1.00 1.13 O ATOM 271 OE2 GLU A 18 16.307 -4.855 -24.203 1.00 1.06 O ATOM 0 H GLU A 18 18.123 -1.399 -20.240 1.00 0.09 H new ATOM 0 HA GLU A 18 15.866 -3.166 -19.756 1.00 0.08 H new ATOM 0 HB2 GLU A 18 18.323 -4.001 -21.255 1.00 0.09 H new ATOM 0 HB3 GLU A 18 17.554 -5.135 -20.163 1.00 0.09 H new ATOM 0 HG2 GLU A 18 16.115 -5.642 -21.796 1.00 0.10 H new ATOM 0 HG3 GLU A 18 15.424 -4.041 -21.620 1.00 0.10 H new ATOM 278 N LEU A 19 16.878 -3.830 -17.560 1.00 0.07 N ATOM 279 CA LEU A 19 17.421 -4.022 -16.223 1.00 0.07 C ATOM 280 C LEU A 19 17.468 -5.510 -15.914 1.00 0.07 C ATOM 281 O LEU A 19 16.437 -6.185 -15.918 1.00 0.07 O ATOM 282 CB LEU A 19 16.586 -3.280 -15.174 1.00 0.08 C ATOM 283 CG LEU A 19 16.849 -3.687 -13.721 1.00 0.09 C ATOM 284 CD1 LEU A 19 18.307 -3.446 -13.355 1.00 0.11 C ATOM 285 CD2 LEU A 19 15.926 -2.926 -12.780 1.00 0.12 C ATOM 0 H LEU A 19 15.943 -4.213 -17.700 1.00 0.07 H new ATOM 0 HA LEU A 19 18.429 -3.610 -16.188 1.00 0.07 H new ATOM 0 HB2 LEU A 19 16.773 -2.211 -15.274 1.00 0.08 H new ATOM 0 HB3 LEU A 19 15.531 -3.441 -15.394 1.00 0.08 H new ATOM 0 HG LEU A 19 16.642 -4.752 -13.617 1.00 0.09 H new ATOM 0 HD11 LEU A 19 18.476 -3.741 -12.319 1.00 0.11 H new ATOM 0 HD12 LEU A 19 18.949 -4.036 -14.009 1.00 0.11 H new ATOM 0 HD13 LEU A 19 18.542 -2.388 -13.474 1.00 0.11 H new ATOM 0 HD21 LEU A 19 16.126 -3.227 -11.752 1.00 0.12 H new ATOM 0 HD22 LEU A 19 16.101 -1.855 -12.885 1.00 0.12 H new ATOM 0 HD23 LEU A 19 14.888 -3.150 -13.028 1.00 0.12 H new ATOM 297 N ALA A 20 18.655 -6.030 -15.630 1.00 0.07 N ATOM 298 CA ALA A 20 18.795 -7.437 -15.309 1.00 0.07 C ATOM 299 C ALA A 20 19.316 -7.590 -13.885 1.00 0.07 C ATOM 300 O ALA A 20 20.114 -6.780 -13.412 1.00 0.08 O ATOM 301 CB ALA A 20 19.705 -8.121 -16.320 1.00 0.09 C ATOM 0 H ALA A 20 19.526 -5.500 -15.616 1.00 0.07 H new ATOM 0 HA ALA A 20 17.821 -7.923 -15.366 1.00 0.07 H new ATOM 0 HB1 ALA A 20 19.801 -9.177 -16.067 1.00 0.09 H new ATOM 0 HB2 ALA A 20 19.277 -8.025 -17.318 1.00 0.09 H new ATOM 0 HB3 ALA A 20 20.689 -7.652 -16.300 1.00 0.09 H new ATOM 307 N ALA A 21 18.845 -8.618 -13.202 1.00 0.07 N ATOM 308 CA ALA A 21 19.239 -8.865 -11.824 1.00 0.09 C ATOM 309 C ALA A 21 18.937 -10.302 -11.427 1.00 0.09 C ATOM 310 O ALA A 21 18.259 -11.023 -12.158 1.00 0.08 O ATOM 311 CB ALA A 21 18.533 -7.891 -10.894 1.00 0.10 C ATOM 0 H ALA A 21 18.186 -9.299 -13.580 1.00 0.07 H new ATOM 0 HA ALA A 21 20.315 -8.710 -11.738 1.00 0.09 H new ATOM 0 HB1 ALA A 21 18.836 -8.086 -9.865 1.00 0.10 H new ATOM 0 HB2 ALA A 21 18.802 -6.870 -11.164 1.00 0.10 H new ATOM 0 HB3 ALA A 21 17.454 -8.018 -10.985 1.00 0.10 H new ATOM 317 N GLU A 22 19.388 -10.702 -10.244 1.00 0.11 N ATOM 318 CA GLU A 22 19.099 -12.035 -9.740 1.00 0.11 C ATOM 319 C GLU A 22 18.184 -11.897 -8.529 1.00 0.11 C ATOM 320 O GLU A 22 18.427 -11.061 -7.658 1.00 0.11 O ATOM 321 CB GLU A 22 20.387 -12.767 -9.356 1.00 0.12 C ATOM 322 CG GLU A 22 21.256 -13.143 -10.546 1.00 0.20 C ATOM 323 CD GLU A 22 22.268 -14.219 -10.208 1.00 0.75 C ATOM 324 OE1 GLU A 22 22.602 -14.365 -9.013 1.00 1.58 O ATOM 325 OE2 GLU A 22 22.729 -14.915 -11.137 1.00 1.48 O ATOM 0 H GLU A 22 19.952 -10.125 -9.620 1.00 0.11 H new ATOM 0 HA GLU A 22 18.610 -12.623 -10.517 1.00 0.11 H new ATOM 0 HB2 GLU A 22 20.965 -12.136 -8.681 1.00 0.12 H new ATOM 0 HB3 GLU A 22 20.130 -13.672 -8.805 1.00 0.12 H new ATOM 0 HG2 GLU A 22 20.620 -13.490 -11.361 1.00 0.20 H new ATOM 0 HG3 GLU A 22 21.779 -12.256 -10.905 1.00 0.20 H new ATOM 332 N CYS A 23 17.120 -12.690 -8.472 1.00 0.11 N ATOM 333 CA CYS A 23 16.187 -12.596 -7.357 1.00 0.12 C ATOM 334 C CYS A 23 15.878 -13.959 -6.755 1.00 0.11 C ATOM 335 O CYS A 23 15.672 -14.940 -7.469 1.00 0.12 O ATOM 336 CB CYS A 23 14.896 -11.920 -7.814 1.00 0.14 C ATOM 337 SG CYS A 23 15.155 -10.288 -8.582 1.00 0.11 S ATOM 0 H CYS A 23 16.885 -13.394 -9.172 1.00 0.11 H new ATOM 0 HA CYS A 23 16.661 -11.995 -6.581 1.00 0.12 H new ATOM 0 HB2 CYS A 23 14.388 -12.570 -8.526 1.00 0.14 H new ATOM 0 HB3 CYS A 23 14.232 -11.807 -6.957 1.00 0.14 H new ATOM 342 N LYS A 24 15.868 -14.008 -5.430 1.00 0.11 N ATOM 343 CA LYS A 24 15.598 -15.245 -4.715 1.00 0.11 C ATOM 344 C LYS A 24 14.151 -15.698 -4.900 1.00 0.12 C ATOM 345 O LYS A 24 13.215 -14.904 -4.803 1.00 0.12 O ATOM 346 CB LYS A 24 15.915 -15.084 -3.227 1.00 0.12 C ATOM 347 CG LYS A 24 15.076 -14.022 -2.535 1.00 0.14 C ATOM 348 CD LYS A 24 14.869 -14.348 -1.065 1.00 0.25 C ATOM 349 CE LYS A 24 15.822 -13.559 -0.182 1.00 0.39 C ATOM 350 NZ LYS A 24 15.676 -13.919 1.255 1.00 0.79 N ATOM 0 H LYS A 24 16.044 -13.203 -4.829 1.00 0.11 H new ATOM 0 HA LYS A 24 16.245 -16.015 -5.135 1.00 0.11 H new ATOM 0 HB2 LYS A 24 15.761 -16.040 -2.726 1.00 0.12 H new ATOM 0 HB3 LYS A 24 16.969 -14.832 -3.114 1.00 0.12 H new ATOM 0 HG2 LYS A 24 15.565 -13.052 -2.629 1.00 0.14 H new ATOM 0 HG3 LYS A 24 14.109 -13.941 -3.031 1.00 0.14 H new ATOM 0 HD2 LYS A 24 13.840 -14.125 -0.783 1.00 0.25 H new ATOM 0 HD3 LYS A 24 15.020 -15.415 -0.903 1.00 0.25 H new ATOM 0 HE2 LYS A 24 16.848 -13.744 -0.500 1.00 0.39 H new ATOM 0 HE3 LYS A 24 15.636 -12.493 -0.310 1.00 0.39 H new ATOM 0 HZ1 LYS A 24 16.343 -13.359 1.823 1.00 0.79 H new ATOM 0 HZ2 LYS A 24 14.704 -13.719 1.566 1.00 0.79 H new ATOM 0 HZ3 LYS A 24 15.879 -14.931 1.382 1.00 0.79 H new ATOM 364 N THR A 25 13.991 -16.990 -5.160 1.00 0.12 N ATOM 365 CA THR A 25 12.677 -17.588 -5.358 1.00 0.12 C ATOM 366 C THR A 25 12.073 -18.013 -4.022 1.00 0.13 C ATOM 367 O THR A 25 12.639 -17.738 -2.965 1.00 0.15 O ATOM 368 CB THR A 25 12.774 -18.780 -6.309 1.00 0.12 C ATOM 369 OG1 THR A 25 13.463 -19.858 -5.701 1.00 0.17 O ATOM 370 CG2 THR A 25 13.488 -18.444 -7.601 1.00 0.16 C ATOM 0 H THR A 25 14.765 -17.650 -5.239 1.00 0.12 H new ATOM 0 HA THR A 25 12.021 -16.841 -5.806 1.00 0.12 H new ATOM 0 HB THR A 25 11.745 -19.057 -6.537 1.00 0.12 H new ATOM 0 HG1 THR A 25 13.512 -20.610 -6.327 1.00 0.17 H new ATOM 0 HG21 THR A 25 13.526 -19.329 -8.236 1.00 0.16 H new ATOM 0 HG22 THR A 25 12.950 -17.649 -8.118 1.00 0.16 H new ATOM 0 HG23 THR A 25 14.502 -18.112 -7.380 1.00 0.16 H new ATOM 378 N ARG A 26 10.912 -18.660 -4.067 1.00 0.14 N ATOM 379 CA ARG A 26 10.227 -19.095 -2.852 1.00 0.15 C ATOM 380 C ARG A 26 11.075 -20.046 -2.008 1.00 0.16 C ATOM 381 O ARG A 26 10.974 -20.050 -0.781 1.00 0.17 O ATOM 382 CB ARG A 26 8.915 -19.786 -3.219 1.00 0.16 C ATOM 383 CG ARG A 26 8.050 -18.984 -4.177 1.00 0.16 C ATOM 384 CD ARG A 26 6.818 -18.430 -3.482 1.00 0.85 C ATOM 385 NE ARG A 26 5.965 -17.675 -4.396 1.00 1.54 N ATOM 386 CZ ARG A 26 4.710 -17.330 -4.120 1.00 2.11 C ATOM 387 NH1 ARG A 26 4.162 -17.670 -2.960 1.00 2.45 N ATOM 388 NH2 ARG A 26 4.002 -16.642 -5.005 1.00 2.98 N ATOM 0 H ARG A 26 10.425 -18.895 -4.932 1.00 0.14 H new ATOM 0 HA ARG A 26 10.038 -18.203 -2.255 1.00 0.15 H new ATOM 0 HB2 ARG A 26 9.138 -20.754 -3.668 1.00 0.16 H new ATOM 0 HB3 ARG A 26 8.349 -19.980 -2.308 1.00 0.16 H new ATOM 0 HG2 ARG A 26 8.633 -18.164 -4.596 1.00 0.16 H new ATOM 0 HG3 ARG A 26 7.745 -19.617 -5.011 1.00 0.16 H new ATOM 0 HD2 ARG A 26 6.247 -19.251 -3.048 1.00 0.85 H new ATOM 0 HD3 ARG A 26 7.126 -17.786 -2.658 1.00 0.85 H new ATOM 0 HE ARG A 26 6.353 -17.396 -5.297 1.00 1.54 H new ATOM 0 HH11 ARG A 26 4.703 -18.198 -2.276 1.00 2.45 H new ATOM 0 HH12 ARG A 26 3.200 -17.403 -2.753 1.00 2.45 H new ATOM 0 HH21 ARG A 26 4.419 -16.377 -5.897 1.00 2.98 H new ATOM 0 HH22 ARG A 26 3.040 -16.377 -4.794 1.00 2.98 H new ATOM 402 N ALA A 27 11.885 -20.871 -2.661 1.00 0.15 N ATOM 403 CA ALA A 27 12.712 -21.837 -1.946 1.00 0.17 C ATOM 404 C ALA A 27 14.025 -21.234 -1.456 1.00 0.16 C ATOM 405 O ALA A 27 14.933 -21.964 -1.061 1.00 0.16 O ATOM 406 CB ALA A 27 12.985 -23.051 -2.821 1.00 0.17 C ATOM 0 H ALA A 27 11.987 -20.891 -3.676 1.00 0.15 H new ATOM 0 HA ALA A 27 12.151 -22.145 -1.064 1.00 0.17 H new ATOM 0 HB1 ALA A 27 13.603 -23.762 -2.274 1.00 0.17 H new ATOM 0 HB2 ALA A 27 12.041 -23.524 -3.092 1.00 0.17 H new ATOM 0 HB3 ALA A 27 13.507 -22.738 -3.725 1.00 0.17 H new ATOM 412 N GLN A 28 14.147 -19.909 -1.515 1.00 0.15 N ATOM 413 CA GLN A 28 15.378 -19.239 -1.108 1.00 0.16 C ATOM 414 C GLN A 28 16.514 -19.583 -2.064 1.00 0.15 C ATOM 415 O GLN A 28 17.657 -19.794 -1.658 1.00 0.15 O ATOM 416 CB GLN A 28 15.756 -19.632 0.322 1.00 0.17 C ATOM 417 CG GLN A 28 14.600 -19.525 1.304 1.00 0.24 C ATOM 418 CD GLN A 28 15.044 -19.645 2.748 1.00 0.94 C ATOM 419 OE1 GLN A 28 15.915 -20.451 3.077 1.00 1.83 O ATOM 420 NE2 GLN A 28 14.444 -18.842 3.619 1.00 1.48 N ATOM 0 H GLN A 28 13.411 -19.282 -1.839 1.00 0.15 H new ATOM 0 HA GLN A 28 15.208 -18.163 -1.140 1.00 0.16 H new ATOM 0 HB2 GLN A 28 16.130 -20.656 0.323 1.00 0.17 H new ATOM 0 HB3 GLN A 28 16.572 -18.995 0.662 1.00 0.17 H new ATOM 0 HG2 GLN A 28 14.096 -18.569 1.162 1.00 0.24 H new ATOM 0 HG3 GLN A 28 13.871 -20.306 1.087 1.00 0.24 H new ATOM 0 HE21 GLN A 28 13.727 -18.189 3.301 1.00 1.48 H new ATOM 0 HE22 GLN A 28 14.700 -18.878 4.606 1.00 1.48 H new ATOM 429 N GLN A 29 16.175 -19.591 -3.349 1.00 0.14 N ATOM 430 CA GLN A 29 17.129 -19.856 -4.416 1.00 0.14 C ATOM 431 C GLN A 29 17.238 -18.612 -5.287 1.00 0.13 C ATOM 432 O GLN A 29 16.223 -18.037 -5.663 1.00 0.13 O ATOM 433 CB GLN A 29 16.671 -21.045 -5.265 1.00 0.14 C ATOM 434 CG GLN A 29 16.610 -22.358 -4.503 1.00 0.27 C ATOM 435 CD GLN A 29 17.065 -23.538 -5.340 1.00 1.03 C ATOM 436 OE1 GLN A 29 17.019 -23.496 -6.569 1.00 1.92 O ATOM 437 NE2 GLN A 29 17.509 -24.599 -4.675 1.00 1.59 N ATOM 0 H GLN A 29 15.227 -19.413 -3.679 1.00 0.14 H new ATOM 0 HA GLN A 29 18.099 -20.101 -3.984 1.00 0.14 H new ATOM 0 HB2 GLN A 29 15.685 -20.828 -5.675 1.00 0.14 H new ATOM 0 HB3 GLN A 29 17.350 -21.158 -6.111 1.00 0.14 H new ATOM 0 HG2 GLN A 29 17.234 -22.287 -3.612 1.00 0.27 H new ATOM 0 HG3 GLN A 29 15.589 -22.530 -4.164 1.00 0.27 H new ATOM 0 HE21 GLN A 29 17.529 -24.590 -3.655 1.00 1.59 H new ATOM 0 HE22 GLN A 29 17.829 -25.423 -5.184 1.00 1.59 H new ATOM 446 N PHE A 30 18.454 -18.184 -5.603 1.00 0.13 N ATOM 447 CA PHE A 30 18.629 -16.989 -6.425 1.00 0.12 C ATOM 448 C PHE A 30 18.688 -17.355 -7.903 1.00 0.11 C ATOM 449 O PHE A 30 19.503 -18.181 -8.314 1.00 0.12 O ATOM 450 CB PHE A 30 19.906 -16.248 -6.018 1.00 0.14 C ATOM 451 CG PHE A 30 19.796 -15.540 -4.696 1.00 0.23 C ATOM 452 CD1 PHE A 30 20.080 -16.204 -3.514 1.00 0.89 C ATOM 453 CD2 PHE A 30 19.403 -14.212 -4.636 1.00 0.81 C ATOM 454 CE1 PHE A 30 19.977 -15.557 -2.296 1.00 0.97 C ATOM 455 CE2 PHE A 30 19.296 -13.560 -3.422 1.00 0.87 C ATOM 456 CZ PHE A 30 19.583 -14.234 -2.250 1.00 0.56 C ATOM 0 H PHE A 30 19.320 -18.635 -5.310 1.00 0.13 H new ATOM 0 HA PHE A 30 17.772 -16.335 -6.264 1.00 0.12 H new ATOM 0 HB2 PHE A 30 20.730 -16.960 -5.972 1.00 0.14 H new ATOM 0 HB3 PHE A 30 20.156 -15.521 -6.790 1.00 0.14 H new ATOM 0 HD1 PHE A 30 20.386 -17.239 -3.544 1.00 0.89 H new ATOM 0 HD2 PHE A 30 19.178 -13.680 -5.549 1.00 0.81 H new ATOM 0 HE1 PHE A 30 20.204 -16.086 -1.382 1.00 0.97 H new ATOM 0 HE2 PHE A 30 18.989 -12.525 -3.389 1.00 0.87 H new ATOM 0 HZ PHE A 30 19.499 -13.727 -1.300 1.00 0.56 H new ATOM 466 N VAL A 31 17.807 -16.750 -8.700 1.00 0.11 N ATOM 467 CA VAL A 31 17.750 -17.028 -10.129 1.00 0.11 C ATOM 468 C VAL A 31 17.946 -15.760 -10.956 1.00 0.10 C ATOM 469 O VAL A 31 17.772 -14.647 -10.460 1.00 0.11 O ATOM 470 CB VAL A 31 16.409 -17.675 -10.523 1.00 0.11 C ATOM 471 CG1 VAL A 31 16.356 -19.123 -10.062 1.00 0.16 C ATOM 472 CG2 VAL A 31 15.245 -16.880 -9.949 1.00 0.16 C ATOM 0 H VAL A 31 17.124 -16.065 -8.377 1.00 0.11 H new ATOM 0 HA VAL A 31 18.563 -17.723 -10.341 1.00 0.11 H new ATOM 0 HB VAL A 31 16.327 -17.664 -11.610 1.00 0.11 H new ATOM 0 HG11 VAL A 31 15.401 -19.562 -10.350 1.00 0.16 H new ATOM 0 HG12 VAL A 31 17.167 -19.683 -10.527 1.00 0.16 H new ATOM 0 HG13 VAL A 31 16.462 -19.164 -8.978 1.00 0.16 H new ATOM 0 HG21 VAL A 31 14.305 -17.351 -10.237 1.00 0.16 H new ATOM 0 HG22 VAL A 31 15.321 -16.857 -8.862 1.00 0.16 H new ATOM 0 HG23 VAL A 31 15.274 -15.862 -10.336 1.00 0.16 H new ATOM 482 N SER A 32 18.302 -15.944 -12.223 1.00 0.10 N ATOM 483 CA SER A 32 18.513 -14.822 -13.133 1.00 0.10 C ATOM 484 C SER A 32 17.186 -14.311 -13.696 1.00 0.09 C ATOM 485 O SER A 32 16.403 -15.078 -14.256 1.00 0.10 O ATOM 486 CB SER A 32 19.447 -15.227 -14.275 1.00 0.12 C ATOM 487 OG SER A 32 20.322 -14.165 -14.617 1.00 1.28 O ATOM 0 H SER A 32 18.451 -16.861 -12.644 1.00 0.10 H new ATOM 0 HA SER A 32 18.977 -14.015 -12.566 1.00 0.10 H new ATOM 0 HB2 SER A 32 20.028 -16.101 -13.982 1.00 0.12 H new ATOM 0 HB3 SER A 32 18.859 -15.513 -15.147 1.00 0.12 H new ATOM 0 HG SER A 32 20.910 -14.448 -15.348 1.00 1.28 H new ATOM 493 N THR A 33 16.945 -13.009 -13.551 1.00 0.09 N ATOM 494 CA THR A 33 15.717 -12.394 -14.051 1.00 0.09 C ATOM 495 C THR A 33 16.006 -11.025 -14.659 1.00 0.08 C ATOM 496 O THR A 33 17.017 -10.397 -14.342 1.00 0.08 O ATOM 497 CB THR A 33 14.691 -12.257 -12.927 1.00 0.09 C ATOM 498 OG1 THR A 33 13.548 -11.555 -13.380 1.00 0.13 O ATOM 499 CG2 THR A 33 15.225 -11.528 -11.715 1.00 0.10 C ATOM 0 H THR A 33 17.584 -12.360 -13.092 1.00 0.09 H new ATOM 0 HA THR A 33 15.308 -13.041 -14.827 1.00 0.09 H new ATOM 0 HB THR A 33 14.441 -13.277 -12.635 1.00 0.09 H new ATOM 0 HG1 THR A 33 13.060 -12.107 -14.026 1.00 0.13 H new ATOM 0 HG21 THR A 33 14.446 -11.466 -10.955 1.00 0.10 H new ATOM 0 HG22 THR A 33 16.081 -12.069 -11.313 1.00 0.10 H new ATOM 0 HG23 THR A 33 15.533 -10.523 -12.002 1.00 0.10 H new ATOM 507 N LYS A 34 15.121 -10.566 -15.538 1.00 0.09 N ATOM 508 CA LYS A 34 15.311 -9.279 -16.190 1.00 0.09 C ATOM 509 C LYS A 34 13.988 -8.566 -16.449 1.00 0.09 C ATOM 510 O LYS A 34 12.988 -9.187 -16.810 1.00 0.09 O ATOM 511 CB LYS A 34 16.058 -9.473 -17.510 1.00 0.12 C ATOM 512 CG LYS A 34 16.545 -8.174 -18.129 1.00 0.22 C ATOM 513 CD LYS A 34 17.279 -8.423 -19.438 1.00 0.58 C ATOM 514 CE LYS A 34 16.397 -9.146 -20.445 1.00 1.17 C ATOM 515 NZ LYS A 34 17.063 -9.282 -21.769 1.00 1.60 N ATOM 0 H LYS A 34 14.273 -11.062 -15.812 1.00 0.09 H new ATOM 0 HA LYS A 34 15.897 -8.653 -15.517 1.00 0.09 H new ATOM 0 HB2 LYS A 34 16.913 -10.128 -17.341 1.00 0.12 H new ATOM 0 HB3 LYS A 34 15.402 -9.980 -18.218 1.00 0.12 H new ATOM 0 HG2 LYS A 34 15.696 -7.513 -18.306 1.00 0.22 H new ATOM 0 HG3 LYS A 34 17.207 -7.662 -17.431 1.00 0.22 H new ATOM 0 HD2 LYS A 34 17.608 -7.473 -19.858 1.00 0.58 H new ATOM 0 HD3 LYS A 34 18.175 -9.014 -19.247 1.00 0.58 H new ATOM 0 HE2 LYS A 34 16.145 -10.135 -20.062 1.00 1.17 H new ATOM 0 HE3 LYS A 34 15.460 -8.602 -20.564 1.00 1.17 H new ATOM 0 HZ1 LYS A 34 16.430 -9.780 -22.427 1.00 1.60 H new ATOM 0 HZ2 LYS A 34 17.281 -8.338 -22.146 1.00 1.60 H new ATOM 0 HZ3 LYS A 34 17.944 -9.824 -21.660 1.00 1.60 H new ATOM 529 N ILE A 35 14.010 -7.247 -16.284 1.00 0.08 N ATOM 530 CA ILE A 35 12.841 -6.408 -16.513 1.00 0.08 C ATOM 531 C ILE A 35 13.157 -5.421 -17.631 1.00 0.09 C ATOM 532 O ILE A 35 14.167 -4.720 -17.571 1.00 0.08 O ATOM 533 CB ILE A 35 12.442 -5.645 -15.228 1.00 0.08 C ATOM 534 CG1 ILE A 35 11.133 -4.883 -15.430 1.00 0.09 C ATOM 535 CG2 ILE A 35 13.549 -4.699 -14.796 1.00 0.09 C ATOM 536 CD1 ILE A 35 9.912 -5.680 -15.029 1.00 0.11 C ATOM 0 H ILE A 35 14.839 -6.731 -15.988 1.00 0.08 H new ATOM 0 HA ILE A 35 12.000 -7.040 -16.798 1.00 0.08 H new ATOM 0 HB ILE A 35 12.290 -6.378 -14.436 1.00 0.08 H new ATOM 0 HG12 ILE A 35 11.164 -3.961 -14.850 1.00 0.09 H new ATOM 0 HG13 ILE A 35 11.044 -4.597 -16.478 1.00 0.09 H new ATOM 0 HG21 ILE A 35 13.246 -4.174 -13.890 1.00 0.09 H new ATOM 0 HG22 ILE A 35 14.457 -5.268 -14.598 1.00 0.09 H new ATOM 0 HG23 ILE A 35 13.739 -3.976 -15.589 1.00 0.09 H new ATOM 0 HD11 ILE A 35 9.016 -5.082 -15.197 1.00 0.11 H new ATOM 0 HD12 ILE A 35 9.859 -6.590 -15.627 1.00 0.11 H new ATOM 0 HD13 ILE A 35 9.980 -5.943 -13.973 1.00 0.11 H new ATOM 548 N ASN A 36 12.318 -5.371 -18.662 1.00 0.11 N ATOM 549 CA ASN A 36 12.557 -4.476 -19.792 1.00 0.12 C ATOM 550 C ASN A 36 11.957 -3.097 -19.524 1.00 0.11 C ATOM 551 O ASN A 36 10.748 -2.966 -19.348 1.00 0.12 O ATOM 552 CB ASN A 36 11.933 -5.072 -21.052 1.00 0.16 C ATOM 553 CG ASN A 36 12.542 -4.510 -22.317 1.00 0.21 C ATOM 554 OD1 ASN A 36 13.395 -3.624 -22.267 1.00 0.89 O ATOM 555 ND2 ASN A 36 12.106 -5.021 -23.462 1.00 0.95 N ATOM 0 H ASN A 36 11.472 -5.935 -18.739 1.00 0.11 H new ATOM 0 HA ASN A 36 13.632 -4.364 -19.930 1.00 0.12 H new ATOM 0 HB2 ASN A 36 12.060 -6.154 -21.040 1.00 0.16 H new ATOM 0 HB3 ASN A 36 10.861 -4.877 -21.050 1.00 0.16 H new ATOM 0 HD21 ASN A 36 12.480 -4.680 -24.348 1.00 0.95 H new ATOM 0 HD22 ASN A 36 11.397 -5.755 -23.456 1.00 0.95 H new ATOM 562 N LEU A 37 12.798 -2.071 -19.494 1.00 0.10 N ATOM 563 CA LEU A 37 12.324 -0.714 -19.238 1.00 0.10 C ATOM 564 C LEU A 37 11.890 0.001 -20.517 1.00 0.10 C ATOM 565 O LEU A 37 11.240 1.045 -20.452 1.00 0.10 O ATOM 566 CB LEU A 37 13.408 0.103 -18.536 1.00 0.10 C ATOM 567 CG LEU A 37 13.915 -0.495 -17.226 1.00 0.10 C ATOM 568 CD1 LEU A 37 15.043 -1.476 -17.493 1.00 0.10 C ATOM 569 CD2 LEU A 37 14.375 0.603 -16.279 1.00 0.11 C ATOM 0 H LEU A 37 13.804 -2.149 -19.642 1.00 0.10 H new ATOM 0 HA LEU A 37 11.449 -0.799 -18.593 1.00 0.10 H new ATOM 0 HB2 LEU A 37 14.252 0.220 -19.216 1.00 0.10 H new ATOM 0 HB3 LEU A 37 13.018 1.101 -18.336 1.00 0.10 H new ATOM 0 HG LEU A 37 13.094 -1.033 -16.752 1.00 0.10 H new ATOM 0 HD11 LEU A 37 15.393 -1.893 -16.549 1.00 0.10 H new ATOM 0 HD12 LEU A 37 14.682 -2.280 -18.134 1.00 0.10 H new ATOM 0 HD13 LEU A 37 15.865 -0.959 -17.988 1.00 0.10 H new ATOM 0 HD21 LEU A 37 14.733 0.157 -15.351 1.00 0.11 H new ATOM 0 HD22 LEU A 37 15.182 1.170 -16.744 1.00 0.11 H new ATOM 0 HD23 LEU A 37 13.541 1.270 -16.063 1.00 0.11 H new ATOM 581 N ASP A 38 12.286 -0.522 -21.675 1.00 0.10 N ATOM 582 CA ASP A 38 11.958 0.126 -22.943 1.00 0.11 C ATOM 583 C ASP A 38 10.451 0.338 -23.123 1.00 0.12 C ATOM 584 O ASP A 38 10.017 1.415 -23.528 1.00 0.12 O ATOM 585 CB ASP A 38 12.500 -0.675 -24.129 1.00 0.15 C ATOM 586 CG ASP A 38 12.097 -2.136 -24.101 1.00 1.08 C ATOM 587 OD1 ASP A 38 11.161 -2.484 -23.353 1.00 1.86 O ATOM 588 OD2 ASP A 38 12.721 -2.935 -24.831 1.00 1.89 O ATOM 0 H ASP A 38 12.828 -1.382 -21.762 1.00 0.10 H new ATOM 0 HA ASP A 38 12.436 1.105 -22.914 1.00 0.11 H new ATOM 0 HB2 ASP A 38 12.144 -0.225 -25.056 1.00 0.15 H new ATOM 0 HB3 ASP A 38 13.588 -0.606 -24.139 1.00 0.15 H new ATOM 593 N ASP A 39 9.652 -0.682 -22.824 1.00 0.13 N ATOM 594 CA ASP A 39 8.198 -0.578 -22.963 1.00 0.15 C ATOM 595 C ASP A 39 7.541 -0.105 -21.672 1.00 0.15 C ATOM 596 O ASP A 39 6.355 0.222 -21.662 1.00 0.16 O ATOM 597 CB ASP A 39 7.583 -1.911 -23.388 1.00 0.17 C ATOM 598 CG ASP A 39 8.155 -3.088 -22.622 1.00 0.88 C ATOM 599 OD1 ASP A 39 8.260 -2.993 -21.381 1.00 1.66 O ATOM 600 OD2 ASP A 39 8.500 -4.103 -23.262 1.00 1.58 O ATOM 0 H ASP A 39 9.982 -1.586 -22.486 1.00 0.13 H new ATOM 0 HA ASP A 39 8.011 0.163 -23.740 1.00 0.15 H new ATOM 0 HB2 ASP A 39 6.504 -1.874 -23.237 1.00 0.17 H new ATOM 0 HB3 ASP A 39 7.750 -2.060 -24.455 1.00 0.17 H new ATOM 605 N HIS A 40 8.307 -0.063 -20.585 1.00 0.14 N ATOM 606 CA HIS A 40 7.781 0.380 -19.298 1.00 0.15 C ATOM 607 C HIS A 40 8.127 1.849 -19.078 1.00 0.14 C ATOM 608 O HIS A 40 7.244 2.704 -19.008 1.00 0.16 O ATOM 609 CB HIS A 40 8.360 -0.474 -18.164 1.00 0.15 C ATOM 610 CG HIS A 40 7.698 -1.813 -18.022 1.00 0.17 C ATOM 611 ND1 HIS A 40 8.223 -3.061 -17.939 1.00 0.22 N flip ATOM 612 CD2 HIS A 40 6.329 -1.973 -17.962 1.00 0.18 C flip ATOM 613 CE1 HIS A 40 7.173 -3.938 -17.835 1.00 0.24 C flip ATOM 614 NE2 HIS A 40 6.042 -3.258 -17.850 1.00 0.22 N flip ATOM 0 H HIS A 40 9.291 -0.330 -20.570 1.00 0.14 H new ATOM 0 HA HIS A 40 6.697 0.265 -19.300 1.00 0.15 H new ATOM 0 HB2 HIS A 40 9.426 -0.622 -18.339 1.00 0.15 H new ATOM 0 HB3 HIS A 40 8.264 0.071 -17.225 1.00 0.15 H new ATOM 0 HD1 HIS A 40 9.214 -3.302 -17.952 1.00 0.22 H new ATOM 0 HD2 HIS A 40 5.605 -1.173 -18.001 1.00 0.18 H new ATOM 0 HE1 HIS A 40 7.258 -5.012 -17.754 1.00 0.24 H new ATOM 623 N ILE A 41 9.423 2.131 -18.979 1.00 0.14 N ATOM 624 CA ILE A 41 9.895 3.494 -18.782 1.00 0.15 C ATOM 625 C ILE A 41 9.933 4.265 -20.099 1.00 0.14 C ATOM 626 O ILE A 41 10.106 3.683 -21.168 1.00 0.14 O ATOM 627 CB ILE A 41 11.294 3.524 -18.138 1.00 0.18 C ATOM 628 CG1 ILE A 41 11.347 2.584 -16.933 1.00 0.31 C ATOM 629 CG2 ILE A 41 11.656 4.943 -17.725 1.00 0.20 C ATOM 630 CD1 ILE A 41 10.346 2.931 -15.852 1.00 1.00 C ATOM 0 H ILE A 41 10.164 1.432 -19.032 1.00 0.14 H new ATOM 0 HA ILE A 41 9.186 3.973 -18.107 1.00 0.15 H new ATOM 0 HB ILE A 41 12.023 3.182 -18.873 1.00 0.18 H new ATOM 0 HG12 ILE A 41 11.166 1.563 -17.270 1.00 0.31 H new ATOM 0 HG13 ILE A 41 12.351 2.607 -16.508 1.00 0.31 H new ATOM 0 HG21 ILE A 41 12.647 4.948 -17.271 1.00 0.20 H new ATOM 0 HG22 ILE A 41 11.655 5.589 -18.603 1.00 0.20 H new ATOM 0 HG23 ILE A 41 10.925 5.310 -17.004 1.00 0.20 H new ATOM 0 HD11 ILE A 41 10.440 2.223 -15.028 1.00 1.00 H new ATOM 0 HD12 ILE A 41 10.539 3.940 -15.487 1.00 1.00 H new ATOM 0 HD13 ILE A 41 9.337 2.880 -16.261 1.00 1.00 H new ATOM 642 N ALA A 42 9.761 5.577 -19.998 1.00 0.13 N ATOM 643 CA ALA A 42 9.766 6.459 -21.169 1.00 0.13 C ATOM 644 C ALA A 42 10.477 7.776 -20.869 1.00 0.13 C ATOM 645 O ALA A 42 10.842 8.052 -19.726 1.00 0.13 O ATOM 646 CB ALA A 42 8.341 6.740 -21.611 1.00 0.15 C ATOM 0 H ALA A 42 9.615 6.061 -19.112 1.00 0.13 H new ATOM 0 HA ALA A 42 10.307 5.952 -21.968 1.00 0.13 H new ATOM 0 HB1 ALA A 42 8.353 7.396 -22.481 1.00 0.15 H new ATOM 0 HB2 ALA A 42 7.849 5.803 -21.870 1.00 0.15 H new ATOM 0 HB3 ALA A 42 7.797 7.224 -20.800 1.00 0.15 H new ATOM 652 N ASN A 43 10.678 8.579 -21.910 1.00 0.14 N ATOM 653 CA ASN A 43 11.349 9.869 -21.771 1.00 0.13 C ATOM 654 C ASN A 43 10.368 11.012 -22.004 1.00 0.13 C ATOM 655 O ASN A 43 9.891 11.218 -23.120 1.00 0.14 O ATOM 656 CB ASN A 43 12.506 9.969 -22.761 1.00 0.15 C ATOM 657 CG ASN A 43 13.159 11.335 -22.752 1.00 0.13 C ATOM 658 OD1 ASN A 43 12.929 12.103 -23.811 1.00 0.13 O flip ATOM 659 ND2 ASN A 43 13.856 11.695 -21.805 1.00 0.14 N flip ATOM 0 H ASN A 43 10.385 8.359 -22.862 1.00 0.14 H new ATOM 0 HA ASN A 43 11.739 9.946 -20.756 1.00 0.13 H new ATOM 0 HB2 ASN A 43 13.252 9.211 -22.521 1.00 0.15 H new ATOM 0 HB3 ASN A 43 12.141 9.751 -23.765 1.00 0.15 H new ATOM 0 HD21 ASN A 43 14.004 11.069 -21.013 1.00 0.14 H new ATOM 0 HD22 ASN A 43 14.287 12.620 -21.811 1.00 0.14 H new ATOM 666 N ILE A 44 10.061 11.739 -20.939 1.00 0.12 N ATOM 667 CA ILE A 44 9.123 12.850 -21.012 1.00 0.13 C ATOM 668 C ILE A 44 9.821 14.204 -20.834 1.00 0.13 C ATOM 669 O ILE A 44 9.984 14.685 -19.711 1.00 0.15 O ATOM 670 CB ILE A 44 8.020 12.686 -19.947 1.00 0.16 C ATOM 671 CG1 ILE A 44 7.337 11.326 -20.101 1.00 0.25 C ATOM 672 CG2 ILE A 44 7.001 13.810 -20.047 1.00 0.20 C ATOM 673 CD1 ILE A 44 6.663 11.138 -21.442 1.00 1.00 C ATOM 0 H ILE A 44 10.450 11.578 -20.010 1.00 0.12 H new ATOM 0 HA ILE A 44 8.677 12.835 -22.007 1.00 0.13 H new ATOM 0 HB ILE A 44 8.482 12.736 -18.961 1.00 0.16 H new ATOM 0 HG12 ILE A 44 8.078 10.538 -19.962 1.00 0.25 H new ATOM 0 HG13 ILE A 44 6.595 11.209 -19.311 1.00 0.25 H new ATOM 0 HG21 ILE A 44 6.233 13.673 -19.286 1.00 0.20 H new ATOM 0 HG22 ILE A 44 7.499 14.767 -19.892 1.00 0.20 H new ATOM 0 HG23 ILE A 44 6.540 13.796 -21.035 1.00 0.20 H new ATOM 0 HD11 ILE A 44 6.200 10.152 -21.481 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.899 11.904 -21.576 1.00 1.00 H new ATOM 0 HD13 ILE A 44 7.404 11.223 -22.237 1.00 1.00 H new ATOM 685 N ASP A 45 10.221 14.821 -21.950 1.00 0.13 N ATOM 686 CA ASP A 45 10.887 16.128 -21.911 1.00 0.13 C ATOM 687 C ASP A 45 12.211 16.051 -21.161 1.00 0.11 C ATOM 688 O ASP A 45 12.586 16.982 -20.447 1.00 0.13 O ATOM 689 CB ASP A 45 9.976 17.159 -21.244 1.00 0.16 C ATOM 690 CG ASP A 45 10.364 18.582 -21.591 1.00 0.19 C ATOM 691 OD1 ASP A 45 11.565 18.828 -21.831 1.00 1.13 O ATOM 692 OD2 ASP A 45 9.467 19.450 -21.623 1.00 1.09 O ATOM 0 H ASP A 45 10.096 14.439 -22.888 1.00 0.13 H new ATOM 0 HA ASP A 45 11.093 16.432 -22.937 1.00 0.13 H new ATOM 0 HB2 ASP A 45 8.945 16.981 -21.550 1.00 0.16 H new ATOM 0 HB3 ASP A 45 10.014 17.028 -20.163 1.00 0.16 H new ATOM 697 N GLY A 46 12.920 14.944 -21.331 1.00 0.10 N ATOM 698 CA GLY A 46 14.198 14.776 -20.666 1.00 0.11 C ATOM 699 C GLY A 46 14.064 14.232 -19.256 1.00 0.12 C ATOM 700 O GLY A 46 15.064 14.044 -18.564 1.00 0.14 O ATOM 0 H GLY A 46 12.634 14.159 -21.917 1.00 0.10 H new ATOM 0 HA2 GLY A 46 14.821 14.101 -21.253 1.00 0.11 H new ATOM 0 HA3 GLY A 46 14.713 15.736 -20.632 1.00 0.11 H new ATOM 704 N THR A 47 12.831 13.969 -18.824 1.00 0.12 N ATOM 705 CA THR A 47 12.591 13.438 -17.487 1.00 0.13 C ATOM 706 C THR A 47 12.047 12.016 -17.563 1.00 0.12 C ATOM 707 O THR A 47 11.180 11.714 -18.384 1.00 0.12 O ATOM 708 CB THR A 47 11.603 14.328 -16.731 1.00 0.15 C ATOM 709 OG1 THR A 47 11.967 15.692 -16.842 1.00 0.20 O ATOM 710 CG2 THR A 47 11.503 13.998 -15.257 1.00 0.19 C ATOM 0 H THR A 47 11.988 14.115 -19.379 1.00 0.12 H new ATOM 0 HA THR A 47 13.541 13.423 -16.952 1.00 0.13 H new ATOM 0 HB THR A 47 10.635 14.139 -17.195 1.00 0.15 H new ATOM 0 HG1 THR A 47 11.321 16.244 -16.353 1.00 0.20 H new ATOM 0 HG21 THR A 47 10.785 14.667 -14.782 1.00 0.19 H new ATOM 0 HG22 THR A 47 11.172 12.966 -15.137 1.00 0.19 H new ATOM 0 HG23 THR A 47 12.480 14.123 -14.789 1.00 0.19 H new ATOM 718 N LEU A 48 12.583 11.139 -16.722 1.00 0.13 N ATOM 719 CA LEU A 48 12.171 9.742 -16.724 1.00 0.13 C ATOM 720 C LEU A 48 10.826 9.570 -16.031 1.00 0.13 C ATOM 721 O LEU A 48 10.668 9.866 -14.846 1.00 0.14 O ATOM 722 CB LEU A 48 13.224 8.877 -16.029 1.00 0.15 C ATOM 723 CG LEU A 48 14.521 8.676 -16.814 1.00 0.14 C ATOM 724 CD1 LEU A 48 15.666 8.339 -15.872 1.00 0.20 C ATOM 725 CD2 LEU A 48 14.348 7.582 -17.857 1.00 0.20 C ATOM 0 H LEU A 48 13.300 11.369 -16.034 1.00 0.13 H new ATOM 0 HA LEU A 48 12.071 9.422 -17.761 1.00 0.13 H new ATOM 0 HB2 LEU A 48 13.466 9.330 -15.067 1.00 0.15 H new ATOM 0 HB3 LEU A 48 12.789 7.900 -15.821 1.00 0.15 H new ATOM 0 HG LEU A 48 14.761 9.607 -17.328 1.00 0.14 H new ATOM 0 HD11 LEU A 48 16.581 8.199 -16.447 1.00 0.20 H new ATOM 0 HD12 LEU A 48 15.805 9.154 -15.162 1.00 0.20 H new ATOM 0 HD13 LEU A 48 15.434 7.422 -15.331 1.00 0.20 H new ATOM 0 HD21 LEU A 48 15.280 7.452 -18.406 1.00 0.20 H new ATOM 0 HD22 LEU A 48 14.085 6.647 -17.363 1.00 0.20 H new ATOM 0 HD23 LEU A 48 13.555 7.862 -18.550 1.00 0.20 H new ATOM 737 N LYS A 49 9.862 9.084 -16.805 1.00 0.13 N ATOM 738 CA LYS A 49 8.512 8.855 -16.324 1.00 0.13 C ATOM 739 C LYS A 49 7.994 7.518 -16.839 1.00 0.13 C ATOM 740 O LYS A 49 8.542 6.958 -17.788 1.00 0.13 O ATOM 741 CB LYS A 49 7.593 9.995 -16.767 1.00 0.16 C ATOM 742 CG LYS A 49 8.147 11.372 -16.443 1.00 0.21 C ATOM 743 CD LYS A 49 7.037 12.380 -16.201 1.00 0.62 C ATOM 744 CE LYS A 49 7.592 13.718 -15.739 1.00 0.58 C ATOM 745 NZ LYS A 49 6.657 14.421 -14.819 1.00 1.33 N ATOM 0 H LYS A 49 9.999 8.838 -17.785 1.00 0.13 H new ATOM 0 HA LYS A 49 8.524 8.826 -15.234 1.00 0.13 H new ATOM 0 HB2 LYS A 49 7.426 9.921 -17.842 1.00 0.16 H new ATOM 0 HB3 LYS A 49 6.622 9.879 -16.285 1.00 0.16 H new ATOM 0 HG2 LYS A 49 8.782 11.310 -15.559 1.00 0.21 H new ATOM 0 HG3 LYS A 49 8.777 11.714 -17.265 1.00 0.21 H new ATOM 0 HD2 LYS A 49 6.464 12.519 -17.118 1.00 0.62 H new ATOM 0 HD3 LYS A 49 6.348 11.992 -15.451 1.00 0.62 H new ATOM 0 HE2 LYS A 49 8.546 13.561 -15.236 1.00 0.58 H new ATOM 0 HE3 LYS A 49 7.789 14.348 -16.606 1.00 0.58 H new ATOM 0 HZ1 LYS A 49 7.073 15.328 -14.528 1.00 1.33 H new ATOM 0 HZ2 LYS A 49 5.755 14.595 -15.307 1.00 1.33 H new ATOM 0 HZ3 LYS A 49 6.488 13.832 -13.979 1.00 1.33 H new ATOM 759 N TRP A 50 6.944 7.004 -16.215 1.00 0.14 N ATOM 760 CA TRP A 50 6.378 5.723 -16.622 1.00 0.15 C ATOM 761 C TRP A 50 5.374 5.892 -17.760 1.00 0.17 C ATOM 762 O TRP A 50 4.362 6.578 -17.616 1.00 0.20 O ATOM 763 CB TRP A 50 5.727 5.029 -15.425 1.00 0.18 C ATOM 764 CG TRP A 50 6.744 4.417 -14.515 1.00 0.18 C ATOM 765 CD1 TRP A 50 7.429 3.256 -14.720 1.00 0.19 C ATOM 766 CD2 TRP A 50 7.212 4.946 -13.270 1.00 0.19 C ATOM 767 NE1 TRP A 50 8.304 3.037 -13.686 1.00 0.20 N ATOM 768 CE2 TRP A 50 8.185 4.057 -12.781 1.00 0.21 C ATOM 769 CE3 TRP A 50 6.907 6.086 -12.524 1.00 0.21 C ATOM 770 CZ2 TRP A 50 8.853 4.273 -11.580 1.00 0.24 C ATOM 771 CZ3 TRP A 50 7.573 6.297 -11.332 1.00 0.24 C ATOM 772 CH2 TRP A 50 8.535 5.395 -10.871 1.00 0.26 C ATOM 0 H TRP A 50 6.468 7.449 -15.430 1.00 0.14 H new ATOM 0 HA TRP A 50 7.190 5.098 -16.992 1.00 0.15 H new ATOM 0 HB2 TRP A 50 5.129 5.750 -14.868 1.00 0.18 H new ATOM 0 HB3 TRP A 50 5.045 4.256 -15.780 1.00 0.18 H new ATOM 0 HD1 TRP A 50 7.302 2.604 -15.572 1.00 0.19 H new ATOM 0 HE1 TRP A 50 8.940 2.243 -13.605 1.00 0.20 H new ATOM 0 HE3 TRP A 50 6.165 6.789 -12.872 1.00 0.21 H new ATOM 0 HZ2 TRP A 50 9.597 3.577 -11.221 1.00 0.24 H new ATOM 0 HZ3 TRP A 50 7.346 7.175 -10.746 1.00 0.24 H new ATOM 0 HH2 TRP A 50 9.037 5.589 -9.935 1.00 0.26 H new ATOM 783 N GLN A 51 5.671 5.261 -18.894 1.00 0.16 N ATOM 784 CA GLN A 51 4.811 5.334 -20.072 1.00 0.18 C ATOM 785 C GLN A 51 5.343 4.412 -21.170 1.00 0.17 C ATOM 786 O GLN A 51 6.555 4.295 -21.349 1.00 0.21 O ATOM 787 CB GLN A 51 4.740 6.776 -20.582 1.00 0.24 C ATOM 788 CG GLN A 51 3.878 6.944 -21.821 1.00 0.93 C ATOM 789 CD GLN A 51 4.012 8.320 -22.444 1.00 1.01 C ATOM 790 OE1 GLN A 51 4.327 8.450 -23.626 1.00 1.79 O ATOM 791 NE2 GLN A 51 3.770 9.357 -21.649 1.00 1.41 N ATOM 0 H GLN A 51 6.506 4.690 -19.022 1.00 0.16 H new ATOM 0 HA GLN A 51 3.808 5.009 -19.797 1.00 0.18 H new ATOM 0 HB2 GLN A 51 4.349 7.414 -19.789 1.00 0.24 H new ATOM 0 HB3 GLN A 51 5.749 7.124 -20.802 1.00 0.24 H new ATOM 0 HG2 GLN A 51 4.154 6.188 -22.556 1.00 0.93 H new ATOM 0 HG3 GLN A 51 2.835 6.768 -21.559 1.00 0.93 H new ATOM 0 HE21 GLN A 51 3.511 9.203 -20.674 1.00 1.41 H new ATOM 0 HE22 GLN A 51 3.843 10.307 -22.013 1.00 1.41 H new ATOM 800 N PRO A 52 4.450 3.725 -21.911 1.00 0.17 N ATOM 801 CA PRO A 52 4.862 2.799 -22.971 1.00 0.16 C ATOM 802 C PRO A 52 5.543 3.499 -24.141 1.00 0.16 C ATOM 803 O PRO A 52 5.009 3.571 -25.248 1.00 0.23 O ATOM 804 CB PRO A 52 3.561 2.130 -23.415 1.00 0.18 C ATOM 805 CG PRO A 52 2.477 3.063 -22.989 1.00 0.40 C ATOM 806 CD PRO A 52 2.984 3.778 -21.763 1.00 0.25 C ATOM 0 HA PRO A 52 5.606 2.090 -22.607 1.00 0.16 H new ATOM 0 HB2 PRO A 52 3.546 1.975 -24.494 1.00 0.18 H new ATOM 0 HB3 PRO A 52 3.443 1.151 -22.951 1.00 0.18 H new ATOM 0 HG2 PRO A 52 2.242 3.773 -23.782 1.00 0.40 H new ATOM 0 HG3 PRO A 52 1.560 2.517 -22.768 1.00 0.40 H new ATOM 0 HD2 PRO A 52 2.622 4.805 -21.720 1.00 0.25 H new ATOM 0 HD3 PRO A 52 2.656 3.286 -20.848 1.00 0.25 H new ATOM 814 N SER A 53 6.746 3.981 -23.876 1.00 0.14 N ATOM 815 CA SER A 53 7.572 4.651 -24.870 1.00 0.14 C ATOM 816 C SER A 53 9.028 4.511 -24.449 1.00 0.13 C ATOM 817 O SER A 53 9.344 4.600 -23.266 1.00 0.14 O ATOM 818 CB SER A 53 7.169 6.122 -25.036 1.00 0.17 C ATOM 819 OG SER A 53 6.846 6.717 -23.794 1.00 0.26 O ATOM 0 H SER A 53 7.182 3.918 -22.956 1.00 0.14 H new ATOM 0 HA SER A 53 7.427 4.185 -25.845 1.00 0.14 H new ATOM 0 HB2 SER A 53 7.986 6.673 -25.503 1.00 0.17 H new ATOM 0 HB3 SER A 53 6.313 6.192 -25.707 1.00 0.17 H new ATOM 0 HG SER A 53 6.014 7.227 -23.882 1.00 0.26 H new ATOM 825 N ASN A 54 9.900 4.220 -25.402 1.00 0.12 N ATOM 826 CA ASN A 54 11.312 3.995 -25.098 1.00 0.11 C ATOM 827 C ASN A 54 12.101 5.285 -24.940 1.00 0.11 C ATOM 828 O ASN A 54 12.471 5.933 -25.919 1.00 0.12 O ATOM 829 CB ASN A 54 11.961 3.142 -26.183 1.00 0.12 C ATOM 830 CG ASN A 54 11.051 2.034 -26.690 1.00 0.37 C ATOM 831 OD1 ASN A 54 9.963 1.813 -26.158 1.00 0.81 O ATOM 832 ND2 ASN A 54 11.495 1.331 -27.725 1.00 0.73 N ATOM 0 H ASN A 54 9.660 4.133 -26.390 1.00 0.12 H new ATOM 0 HA ASN A 54 11.337 3.475 -24.141 1.00 0.11 H new ATOM 0 HB2 ASN A 54 12.246 3.781 -27.018 1.00 0.12 H new ATOM 0 HB3 ASN A 54 12.878 2.701 -25.791 1.00 0.12 H new ATOM 0 HD21 ASN A 54 10.928 0.575 -28.109 1.00 0.73 H new ATOM 0 HD22 ASN A 54 12.403 1.547 -28.136 1.00 0.73 H new ATOM 839 N PHE A 55 12.394 5.617 -23.693 1.00 0.11 N ATOM 840 CA PHE A 55 13.185 6.797 -23.368 1.00 0.11 C ATOM 841 C PHE A 55 14.485 6.795 -24.170 1.00 0.11 C ATOM 842 O PHE A 55 14.979 7.838 -24.596 1.00 0.11 O ATOM 843 CB PHE A 55 13.505 6.820 -21.871 1.00 0.11 C ATOM 844 CG PHE A 55 14.308 5.637 -21.419 1.00 0.11 C ATOM 845 CD1 PHE A 55 13.686 4.436 -21.121 1.00 0.50 C ATOM 846 CD2 PHE A 55 15.685 5.722 -21.301 1.00 0.50 C ATOM 847 CE1 PHE A 55 14.422 3.341 -20.715 1.00 0.52 C ATOM 848 CE2 PHE A 55 16.428 4.631 -20.894 1.00 0.50 C ATOM 849 CZ PHE A 55 15.795 3.438 -20.601 1.00 0.17 C ATOM 0 H PHE A 55 12.093 5.080 -22.880 1.00 0.11 H new ATOM 0 HA PHE A 55 12.608 7.685 -23.624 1.00 0.11 H new ATOM 0 HB2 PHE A 55 14.053 7.733 -21.637 1.00 0.11 H new ATOM 0 HB3 PHE A 55 12.573 6.854 -21.307 1.00 0.11 H new ATOM 0 HD1 PHE A 55 12.612 4.355 -21.207 1.00 0.50 H new ATOM 0 HD2 PHE A 55 16.184 6.652 -21.530 1.00 0.50 H new ATOM 0 HE1 PHE A 55 13.925 2.410 -20.487 1.00 0.52 H new ATOM 0 HE2 PHE A 55 17.501 4.710 -20.805 1.00 0.50 H new ATOM 0 HZ PHE A 55 16.373 2.583 -20.283 1.00 0.17 H new ATOM 859 N SER A 56 15.031 5.592 -24.353 1.00 0.12 N ATOM 860 CA SER A 56 16.287 5.388 -25.072 1.00 0.12 C ATOM 861 C SER A 56 16.357 6.172 -26.385 1.00 0.13 C ATOM 862 O SER A 56 17.447 6.478 -26.868 1.00 0.14 O ATOM 863 CB SER A 56 16.486 3.898 -25.356 1.00 0.14 C ATOM 864 OG SER A 56 15.413 3.377 -26.120 1.00 0.27 O ATOM 0 H SER A 56 14.612 4.729 -24.005 1.00 0.12 H new ATOM 0 HA SER A 56 17.083 5.763 -24.430 1.00 0.12 H new ATOM 0 HB2 SER A 56 17.424 3.749 -25.891 1.00 0.14 H new ATOM 0 HB3 SER A 56 16.565 3.353 -24.416 1.00 0.14 H new ATOM 0 HG SER A 56 15.565 2.424 -26.290 1.00 0.27 H new ATOM 870 N GLN A 57 15.204 6.489 -26.967 1.00 0.14 N ATOM 871 CA GLN A 57 15.173 7.223 -28.232 1.00 0.15 C ATOM 872 C GLN A 57 15.713 8.642 -28.065 1.00 0.15 C ATOM 873 O GLN A 57 16.120 9.278 -29.038 1.00 0.17 O ATOM 874 CB GLN A 57 13.749 7.268 -28.787 1.00 0.18 C ATOM 875 CG GLN A 57 13.231 5.912 -29.237 1.00 0.21 C ATOM 876 CD GLN A 57 12.337 6.004 -30.459 1.00 0.94 C ATOM 877 OE1 GLN A 57 12.729 6.553 -31.488 1.00 1.73 O ATOM 878 NE2 GLN A 57 11.128 5.465 -30.349 1.00 1.52 N ATOM 0 H GLN A 57 14.286 6.253 -26.589 1.00 0.14 H new ATOM 0 HA GLN A 57 15.815 6.696 -28.937 1.00 0.15 H new ATOM 0 HB2 GLN A 57 13.082 7.668 -28.023 1.00 0.18 H new ATOM 0 HB3 GLN A 57 13.718 7.958 -29.630 1.00 0.18 H new ATOM 0 HG2 GLN A 57 14.076 5.260 -29.458 1.00 0.21 H new ATOM 0 HG3 GLN A 57 12.677 5.450 -28.420 1.00 0.21 H new ATOM 0 HE21 GLN A 57 10.846 5.020 -29.476 1.00 1.52 H new ATOM 0 HE22 GLN A 57 10.482 5.496 -31.138 1.00 1.52 H new ATOM 887 N THR A 58 15.723 9.130 -26.831 1.00 0.13 N ATOM 888 CA THR A 58 16.223 10.469 -26.541 1.00 0.13 C ATOM 889 C THR A 58 17.249 10.437 -25.414 1.00 0.12 C ATOM 890 O THR A 58 17.672 11.483 -24.922 1.00 0.13 O ATOM 891 CB THR A 58 15.079 11.379 -26.117 1.00 0.15 C ATOM 892 OG1 THR A 58 14.622 10.992 -24.842 1.00 0.15 O ATOM 893 CG2 THR A 58 13.891 11.360 -27.049 1.00 0.17 C ATOM 0 H THR A 58 15.390 8.618 -26.014 1.00 0.13 H new ATOM 0 HA THR A 58 16.691 10.848 -27.450 1.00 0.13 H new ATOM 0 HB THR A 58 15.489 12.389 -26.128 1.00 0.15 H new ATOM 0 HG1 THR A 58 13.805 11.487 -24.623 1.00 0.15 H new ATOM 0 HG21 THR A 58 13.123 12.035 -26.673 1.00 0.17 H new ATOM 0 HG22 THR A 58 14.203 11.682 -28.042 1.00 0.17 H new ATOM 0 HG23 THR A 58 13.489 10.348 -27.105 1.00 0.17 H new ATOM 901 N CYS A 59 17.624 9.241 -24.982 1.00 0.10 N ATOM 902 CA CYS A 59 18.573 9.102 -23.891 1.00 0.10 C ATOM 903 C CYS A 59 19.745 8.212 -24.275 1.00 0.09 C ATOM 904 O CYS A 59 19.615 7.306 -25.098 1.00 0.10 O ATOM 905 CB CYS A 59 17.872 8.536 -22.655 1.00 0.10 C ATOM 906 SG CYS A 59 16.235 9.268 -22.325 1.00 0.10 S ATOM 0 H CYS A 59 17.287 8.359 -25.369 1.00 0.10 H new ATOM 0 HA CYS A 59 18.966 10.093 -23.666 1.00 0.10 H new ATOM 0 HB2 CYS A 59 17.758 7.459 -22.777 1.00 0.10 H new ATOM 0 HB3 CYS A 59 18.510 8.693 -21.785 1.00 0.10 H new ATOM 911 N TYR A 60 20.894 8.499 -23.679 1.00 0.09 N ATOM 912 CA TYR A 60 22.116 7.750 -23.937 1.00 0.10 C ATOM 913 C TYR A 60 22.911 7.597 -22.645 1.00 0.09 C ATOM 914 O TYR A 60 22.721 8.361 -21.693 1.00 0.09 O ATOM 915 CB TYR A 60 22.962 8.453 -25.000 1.00 0.11 C ATOM 916 CG TYR A 60 23.402 9.842 -24.598 1.00 0.13 C ATOM 917 CD1 TYR A 60 22.487 10.882 -24.515 1.00 0.87 C ATOM 918 CD2 TYR A 60 24.730 10.110 -24.296 1.00 0.93 C ATOM 919 CE1 TYR A 60 22.883 12.152 -24.143 1.00 0.86 C ATOM 920 CE2 TYR A 60 25.134 11.377 -23.923 1.00 0.96 C ATOM 921 CZ TYR A 60 24.207 12.394 -23.848 1.00 0.21 C ATOM 922 OH TYR A 60 24.606 13.658 -23.477 1.00 0.27 O ATOM 0 H TYR A 60 21.005 9.256 -23.004 1.00 0.09 H new ATOM 0 HA TYR A 60 21.850 6.761 -24.310 1.00 0.10 H new ATOM 0 HB2 TYR A 60 23.844 7.848 -25.210 1.00 0.11 H new ATOM 0 HB3 TYR A 60 22.390 8.515 -25.926 1.00 0.11 H new ATOM 0 HD1 TYR A 60 21.448 10.695 -24.745 1.00 0.87 H new ATOM 0 HD2 TYR A 60 25.459 9.315 -24.354 1.00 0.93 H new ATOM 0 HE1 TYR A 60 22.159 12.951 -24.084 1.00 0.86 H new ATOM 0 HE2 TYR A 60 26.171 11.570 -23.691 1.00 0.96 H new ATOM 0 HH TYR A 60 24.069 14.324 -23.955 1.00 0.27 H new ATOM 932 N ASN A 61 23.778 6.591 -22.604 1.00 0.10 N ATOM 933 CA ASN A 61 24.585 6.328 -21.419 1.00 0.10 C ATOM 934 C ASN A 61 23.698 5.960 -20.236 1.00 0.10 C ATOM 935 O ASN A 61 23.866 6.476 -19.130 1.00 0.11 O ATOM 936 CB ASN A 61 25.447 7.546 -21.077 1.00 0.11 C ATOM 937 CG ASN A 61 26.527 7.793 -22.111 1.00 0.22 C ATOM 938 OD1 ASN A 61 26.631 7.070 -23.102 1.00 0.89 O ATOM 939 ND2 ASN A 61 27.339 8.820 -21.887 1.00 0.95 N ATOM 0 H ASN A 61 23.940 5.945 -23.377 1.00 0.10 H new ATOM 0 HA ASN A 61 25.242 5.485 -21.633 1.00 0.10 H new ATOM 0 HB2 ASN A 61 24.812 8.428 -21.000 1.00 0.11 H new ATOM 0 HB3 ASN A 61 25.908 7.399 -20.100 1.00 0.11 H new ATOM 0 HD21 ASN A 61 28.084 9.035 -22.550 1.00 0.95 H new ATOM 0 HD22 ASN A 61 27.217 9.394 -21.052 1.00 0.95 H new ATOM 946 N SER A 62 22.748 5.065 -20.481 1.00 0.09 N ATOM 947 CA SER A 62 21.836 4.619 -19.439 1.00 0.09 C ATOM 948 C SER A 62 22.581 3.777 -18.415 1.00 0.09 C ATOM 949 O SER A 62 23.378 2.910 -18.772 1.00 0.09 O ATOM 950 CB SER A 62 20.677 3.823 -20.042 1.00 0.09 C ATOM 951 OG SER A 62 19.800 4.669 -20.766 1.00 0.15 O ATOM 0 H SER A 62 22.591 4.635 -21.392 1.00 0.09 H new ATOM 0 HA SER A 62 21.425 5.496 -18.939 1.00 0.09 H new ATOM 0 HB2 SER A 62 21.068 3.049 -20.702 1.00 0.09 H new ATOM 0 HB3 SER A 62 20.127 3.317 -19.248 1.00 0.09 H new ATOM 0 HG SER A 62 19.388 4.164 -21.498 1.00 0.15 H new ATOM 957 N ALA A 63 22.322 4.042 -17.142 1.00 0.09 N ATOM 958 CA ALA A 63 22.976 3.308 -16.066 1.00 0.09 C ATOM 959 C ALA A 63 22.024 3.040 -14.907 1.00 0.09 C ATOM 960 O ALA A 63 21.109 3.818 -14.647 1.00 0.09 O ATOM 961 CB ALA A 63 24.198 4.069 -15.578 1.00 0.11 C ATOM 0 H ALA A 63 21.666 4.757 -16.829 1.00 0.09 H new ATOM 0 HA ALA A 63 23.290 2.344 -16.466 1.00 0.09 H new ATOM 0 HB1 ALA A 63 24.678 3.510 -14.774 1.00 0.11 H new ATOM 0 HB2 ALA A 63 24.901 4.195 -16.402 1.00 0.11 H new ATOM 0 HB3 ALA A 63 23.893 5.048 -15.208 1.00 0.11 H new ATOM 967 N ILE A 64 22.251 1.936 -14.206 1.00 0.09 N ATOM 968 CA ILE A 64 21.413 1.577 -13.075 1.00 0.09 C ATOM 969 C ILE A 64 22.240 1.233 -11.843 1.00 0.11 C ATOM 970 O ILE A 64 23.293 0.602 -11.937 1.00 0.11 O ATOM 971 CB ILE A 64 20.485 0.395 -13.412 1.00 0.09 C ATOM 972 CG1 ILE A 64 19.449 0.852 -14.440 1.00 0.09 C ATOM 973 CG2 ILE A 64 19.797 -0.128 -12.153 1.00 0.10 C ATOM 974 CD1 ILE A 64 18.422 -0.198 -14.775 1.00 0.10 C ATOM 0 H ILE A 64 23.006 1.278 -14.402 1.00 0.09 H new ATOM 0 HA ILE A 64 20.805 2.454 -12.853 1.00 0.09 H new ATOM 0 HB ILE A 64 21.076 -0.420 -13.830 1.00 0.09 H new ATOM 0 HG12 ILE A 64 18.939 1.737 -14.060 1.00 0.09 H new ATOM 0 HG13 ILE A 64 19.964 1.148 -15.354 1.00 0.09 H new ATOM 0 HG21 ILE A 64 19.146 -0.963 -12.414 1.00 0.10 H new ATOM 0 HG22 ILE A 64 20.550 -0.464 -11.440 1.00 0.10 H new ATOM 0 HG23 ILE A 64 19.203 0.669 -11.705 1.00 0.10 H new ATOM 0 HD11 ILE A 64 17.722 0.199 -15.510 1.00 0.10 H new ATOM 0 HD12 ILE A 64 18.920 -1.076 -15.186 1.00 0.10 H new ATOM 0 HD13 ILE A 64 17.880 -0.478 -13.872 1.00 0.10 H new ATOM 986 N GLN A 65 21.731 1.638 -10.690 1.00 0.12 N ATOM 987 CA GLN A 65 22.378 1.368 -9.416 1.00 0.13 C ATOM 988 C GLN A 65 21.315 1.004 -8.393 1.00 0.13 C ATOM 989 O GLN A 65 20.492 1.839 -8.018 1.00 0.13 O ATOM 990 CB GLN A 65 23.175 2.582 -8.935 1.00 0.16 C ATOM 991 CG GLN A 65 24.175 3.106 -9.952 1.00 0.29 C ATOM 992 CD GLN A 65 25.083 4.174 -9.373 1.00 0.92 C ATOM 993 OE1 GLN A 65 24.771 4.780 -8.348 1.00 1.62 O ATOM 994 NE2 GLN A 65 26.214 4.411 -10.027 1.00 1.70 N ATOM 0 H GLN A 65 20.859 2.162 -10.611 1.00 0.12 H new ATOM 0 HA GLN A 65 23.076 0.540 -9.541 1.00 0.13 H new ATOM 0 HB2 GLN A 65 22.480 3.382 -8.678 1.00 0.16 H new ATOM 0 HB3 GLN A 65 23.707 2.316 -8.021 1.00 0.16 H new ATOM 0 HG2 GLN A 65 24.781 2.279 -10.321 1.00 0.29 H new ATOM 0 HG3 GLN A 65 23.638 3.514 -10.808 1.00 0.29 H new ATOM 0 HE21 GLN A 65 26.434 3.885 -10.873 1.00 1.70 H new ATOM 0 HE22 GLN A 65 26.863 5.119 -9.683 1.00 1.70 H new ATOM 1003 N GLY A 66 21.317 -0.249 -7.964 1.00 0.12 N ATOM 1004 CA GLY A 66 20.325 -0.694 -7.008 1.00 0.12 C ATOM 1005 C GLY A 66 18.932 -0.690 -7.607 1.00 0.11 C ATOM 1006 O GLY A 66 18.685 -1.355 -8.613 1.00 0.11 O ATOM 0 H GLY A 66 21.984 -0.962 -8.259 1.00 0.12 H new ATOM 0 HA2 GLY A 66 20.572 -1.699 -6.667 1.00 0.12 H new ATOM 0 HA3 GLY A 66 20.347 -0.046 -6.132 1.00 0.12 H new ATOM 1010 N SER A 67 18.011 0.037 -6.980 1.00 0.12 N ATOM 1011 CA SER A 67 16.633 0.091 -7.460 1.00 0.12 C ATOM 1012 C SER A 67 16.341 1.362 -8.258 1.00 0.11 C ATOM 1013 O SER A 67 15.258 1.500 -8.826 1.00 0.12 O ATOM 1014 CB SER A 67 15.664 -0.010 -6.280 1.00 0.14 C ATOM 1015 OG SER A 67 15.705 1.157 -5.477 1.00 0.15 O ATOM 0 H SER A 67 18.192 0.593 -6.144 1.00 0.12 H new ATOM 0 HA SER A 67 16.494 -0.756 -8.132 1.00 0.12 H new ATOM 0 HB2 SER A 67 14.651 -0.163 -6.651 1.00 0.14 H new ATOM 0 HB3 SER A 67 15.916 -0.880 -5.674 1.00 0.14 H new ATOM 0 HG SER A 67 14.913 1.705 -5.656 1.00 0.15 H new ATOM 1021 N VAL A 68 17.301 2.282 -8.315 1.00 0.11 N ATOM 1022 CA VAL A 68 17.112 3.527 -9.060 1.00 0.10 C ATOM 1023 C VAL A 68 17.839 3.497 -10.404 1.00 0.09 C ATOM 1024 O VAL A 68 18.958 2.993 -10.510 1.00 0.10 O ATOM 1025 CB VAL A 68 17.585 4.755 -8.257 1.00 0.12 C ATOM 1026 CG1 VAL A 68 17.048 6.036 -8.877 1.00 0.12 C ATOM 1027 CG2 VAL A 68 17.149 4.648 -6.804 1.00 0.14 C ATOM 0 H VAL A 68 18.209 2.192 -7.860 1.00 0.11 H new ATOM 0 HA VAL A 68 16.040 3.614 -9.237 1.00 0.10 H new ATOM 0 HB VAL A 68 18.674 4.784 -8.288 1.00 0.12 H new ATOM 0 HG11 VAL A 68 17.392 6.893 -8.297 1.00 0.12 H new ATOM 0 HG12 VAL A 68 17.409 6.123 -9.902 1.00 0.12 H new ATOM 0 HG13 VAL A 68 15.958 6.011 -8.877 1.00 0.12 H new ATOM 0 HG21 VAL A 68 17.493 5.525 -6.255 1.00 0.14 H new ATOM 0 HG22 VAL A 68 16.062 4.592 -6.754 1.00 0.14 H new ATOM 0 HG23 VAL A 68 17.579 3.750 -6.360 1.00 0.14 H new ATOM 1037 N LEU A 69 17.185 4.035 -11.428 1.00 0.09 N ATOM 1038 CA LEU A 69 17.746 4.078 -12.774 1.00 0.08 C ATOM 1039 C LEU A 69 18.285 5.473 -13.096 1.00 0.08 C ATOM 1040 O LEU A 69 17.576 6.474 -12.960 1.00 0.10 O ATOM 1041 CB LEU A 69 16.672 3.664 -13.791 1.00 0.09 C ATOM 1042 CG LEU A 69 16.905 4.117 -15.237 1.00 0.09 C ATOM 1043 CD1 LEU A 69 18.264 3.661 -15.739 1.00 0.11 C ATOM 1044 CD2 LEU A 69 15.802 3.589 -16.140 1.00 0.12 C ATOM 0 H LEU A 69 16.257 4.451 -11.350 1.00 0.09 H new ATOM 0 HA LEU A 69 18.580 3.379 -12.831 1.00 0.08 H new ATOM 0 HB2 LEU A 69 16.590 2.577 -13.781 1.00 0.09 H new ATOM 0 HB3 LEU A 69 15.713 4.059 -13.458 1.00 0.09 H new ATOM 0 HG LEU A 69 16.885 5.207 -15.259 1.00 0.09 H new ATOM 0 HD11 LEU A 69 18.403 3.996 -16.767 1.00 0.11 H new ATOM 0 HD12 LEU A 69 19.046 4.086 -15.110 1.00 0.11 H new ATOM 0 HD13 LEU A 69 18.320 2.573 -15.701 1.00 0.11 H new ATOM 0 HD21 LEU A 69 15.981 3.919 -17.163 1.00 0.12 H new ATOM 0 HD22 LEU A 69 15.794 2.500 -16.106 1.00 0.12 H new ATOM 0 HD23 LEU A 69 14.839 3.970 -15.799 1.00 0.12 H new ATOM 1056 N THR A 70 19.544 5.539 -13.524 1.00 0.08 N ATOM 1057 CA THR A 70 20.171 6.805 -13.871 1.00 0.09 C ATOM 1058 C THR A 70 20.522 6.823 -15.358 1.00 0.09 C ATOM 1059 O THR A 70 21.216 5.935 -15.848 1.00 0.09 O ATOM 1060 CB THR A 70 21.433 7.008 -13.031 1.00 0.11 C ATOM 1061 OG1 THR A 70 21.203 6.630 -11.684 1.00 0.14 O ATOM 1062 CG2 THR A 70 21.934 8.435 -13.028 1.00 0.13 C ATOM 0 H THR A 70 20.149 4.726 -13.638 1.00 0.08 H new ATOM 0 HA THR A 70 19.473 7.617 -13.664 1.00 0.09 H new ATOM 0 HB THR A 70 22.191 6.379 -13.497 1.00 0.11 H new ATOM 0 HG1 THR A 70 22.021 6.765 -11.162 1.00 0.14 H new ATOM 0 HG21 THR A 70 22.831 8.504 -12.413 1.00 0.13 H new ATOM 0 HG22 THR A 70 22.169 8.740 -14.048 1.00 0.13 H new ATOM 0 HG23 THR A 70 21.164 9.090 -12.622 1.00 0.13 H new ATOM 1070 N SER A 71 20.026 7.821 -16.078 1.00 0.09 N ATOM 1071 CA SER A 71 20.281 7.920 -17.515 1.00 0.09 C ATOM 1072 C SER A 71 20.255 9.371 -17.982 1.00 0.09 C ATOM 1073 O SER A 71 19.581 10.207 -17.381 1.00 0.09 O ATOM 1074 CB SER A 71 19.248 7.101 -18.289 1.00 0.09 C ATOM 1075 OG SER A 71 19.251 7.443 -19.665 1.00 0.12 O ATOM 0 H SER A 71 19.448 8.570 -15.697 1.00 0.09 H new ATOM 0 HA SER A 71 21.276 7.520 -17.710 1.00 0.09 H new ATOM 0 HB2 SER A 71 19.463 6.038 -18.175 1.00 0.09 H new ATOM 0 HB3 SER A 71 18.256 7.273 -17.871 1.00 0.09 H new ATOM 0 HG SER A 71 19.406 6.638 -20.202 1.00 0.12 H new ATOM 1081 N THR A 72 20.975 9.668 -19.067 1.00 0.09 N ATOM 1082 CA THR A 72 20.999 11.021 -19.607 1.00 0.10 C ATOM 1083 C THR A 72 19.974 11.148 -20.733 1.00 0.09 C ATOM 1084 O THR A 72 19.976 10.356 -21.675 1.00 0.09 O ATOM 1085 CB THR A 72 22.398 11.372 -20.120 1.00 0.11 C ATOM 1086 OG1 THR A 72 23.383 11.040 -19.157 1.00 0.15 O ATOM 1087 CG2 THR A 72 22.562 12.839 -20.456 1.00 0.14 C ATOM 0 H THR A 72 21.542 8.994 -19.581 1.00 0.09 H new ATOM 0 HA THR A 72 20.742 11.720 -18.811 1.00 0.10 H new ATOM 0 HB THR A 72 22.525 10.790 -21.033 1.00 0.11 H new ATOM 0 HG1 THR A 72 24.270 11.270 -19.504 1.00 0.15 H new ATOM 0 HG21 THR A 72 23.576 13.019 -20.813 1.00 0.14 H new ATOM 0 HG22 THR A 72 21.849 13.116 -21.232 1.00 0.14 H new ATOM 0 HG23 THR A 72 22.380 13.439 -19.565 1.00 0.14 H new ATOM 1095 N CYS A 73 19.091 12.139 -20.631 1.00 0.09 N ATOM 1096 CA CYS A 73 18.059 12.335 -21.646 1.00 0.09 C ATOM 1097 C CYS A 73 18.052 13.756 -22.191 1.00 0.09 C ATOM 1098 O CYS A 73 18.289 14.722 -21.465 1.00 0.10 O ATOM 1099 CB CYS A 73 16.679 11.999 -21.079 1.00 0.09 C ATOM 1100 SG CYS A 73 16.488 10.260 -20.572 1.00 0.10 S ATOM 0 H CYS A 73 19.069 12.812 -19.865 1.00 0.09 H new ATOM 0 HA CYS A 73 18.292 11.660 -22.470 1.00 0.09 H new ATOM 0 HB2 CYS A 73 16.485 12.640 -20.219 1.00 0.09 H new ATOM 0 HB3 CYS A 73 15.923 12.233 -21.829 1.00 0.09 H new ATOM 1105 N GLU A 74 17.730 13.867 -23.475 1.00 0.09 N ATOM 1106 CA GLU A 74 17.650 15.159 -24.147 1.00 0.10 C ATOM 1107 C GLU A 74 16.384 15.911 -23.744 1.00 0.10 C ATOM 1108 O GLU A 74 15.308 15.321 -23.644 1.00 0.10 O ATOM 1109 CB GLU A 74 17.678 14.972 -25.666 1.00 0.12 C ATOM 1110 CG GLU A 74 17.966 16.254 -26.432 1.00 0.24 C ATOM 1111 CD GLU A 74 17.309 16.274 -27.799 1.00 0.44 C ATOM 1112 OE1 GLU A 74 17.217 15.200 -28.429 1.00 1.26 O ATOM 1113 OE2 GLU A 74 16.886 17.364 -28.238 1.00 1.14 O ATOM 0 H GLU A 74 17.518 13.070 -24.076 1.00 0.09 H new ATOM 0 HA GLU A 74 18.514 15.748 -23.841 1.00 0.10 H new ATOM 0 HB2 GLU A 74 18.435 14.230 -25.918 1.00 0.12 H new ATOM 0 HB3 GLU A 74 16.718 14.572 -25.992 1.00 0.12 H new ATOM 0 HG2 GLU A 74 17.615 17.107 -25.851 1.00 0.24 H new ATOM 0 HG3 GLU A 74 19.044 16.369 -26.549 1.00 0.24 H new ATOM 1120 N ARG A 75 16.510 17.215 -23.532 1.00 0.11 N ATOM 1121 CA ARG A 75 15.364 18.038 -23.163 1.00 0.13 C ATOM 1122 C ARG A 75 14.708 18.610 -24.419 1.00 0.14 C ATOM 1123 O ARG A 75 15.388 18.901 -25.401 1.00 0.14 O ATOM 1124 CB ARG A 75 15.796 19.167 -22.227 1.00 0.15 C ATOM 1125 CG ARG A 75 16.749 18.713 -21.133 1.00 0.17 C ATOM 1126 CD ARG A 75 17.153 19.867 -20.230 1.00 0.35 C ATOM 1127 NE ARG A 75 15.996 20.497 -19.599 1.00 1.56 N ATOM 1128 CZ ARG A 75 16.082 21.423 -18.646 1.00 2.25 C ATOM 1129 NH1 ARG A 75 17.269 21.831 -18.212 1.00 2.30 N ATOM 1130 NH2 ARG A 75 14.978 21.942 -18.128 1.00 3.35 N ATOM 0 H ARG A 75 17.390 17.724 -23.609 1.00 0.11 H new ATOM 0 HA ARG A 75 14.639 17.416 -22.638 1.00 0.13 H new ATOM 0 HB2 ARG A 75 16.275 19.952 -22.813 1.00 0.15 H new ATOM 0 HB3 ARG A 75 14.911 19.607 -21.768 1.00 0.15 H new ATOM 0 HG2 ARG A 75 16.275 17.933 -20.537 1.00 0.17 H new ATOM 0 HG3 ARG A 75 17.639 18.274 -21.584 1.00 0.17 H new ATOM 0 HD2 ARG A 75 17.833 19.504 -19.460 1.00 0.35 H new ATOM 0 HD3 ARG A 75 17.698 20.610 -20.812 1.00 0.35 H new ATOM 0 HE ARG A 75 15.067 20.210 -19.907 1.00 1.56 H new ATOM 0 HH11 ARG A 75 18.121 21.435 -18.609 1.00 2.30 H new ATOM 0 HH12 ARG A 75 17.329 22.541 -17.482 1.00 2.30 H new ATOM 0 HH21 ARG A 75 14.065 21.632 -18.459 1.00 3.35 H new ATOM 0 HH22 ARG A 75 15.042 22.651 -17.398 1.00 3.35 H new ATOM 1144 N THR A 76 13.383 18.740 -24.398 1.00 0.16 N ATOM 1145 CA THR A 76 12.648 19.246 -25.557 1.00 0.18 C ATOM 1146 C THR A 76 13.219 20.567 -26.081 1.00 0.19 C ATOM 1147 O THR A 76 13.160 20.836 -27.281 1.00 0.21 O ATOM 1148 CB THR A 76 11.170 19.432 -25.207 1.00 0.21 C ATOM 1149 OG1 THR A 76 10.623 18.239 -24.673 1.00 0.22 O ATOM 1150 CG2 THR A 76 10.325 19.836 -26.395 1.00 0.26 C ATOM 0 H THR A 76 12.798 18.504 -23.596 1.00 0.16 H new ATOM 0 HA THR A 76 12.753 18.503 -26.348 1.00 0.18 H new ATOM 0 HB THR A 76 11.145 20.236 -24.471 1.00 0.21 H new ATOM 0 HG1 THR A 76 9.678 18.381 -24.455 1.00 0.22 H new ATOM 0 HG21 THR A 76 9.288 19.952 -26.081 1.00 0.26 H new ATOM 0 HG22 THR A 76 10.690 20.781 -26.797 1.00 0.26 H new ATOM 0 HG23 THR A 76 10.387 19.066 -27.164 1.00 0.26 H new ATOM 1158 N ASN A 77 13.761 21.393 -25.191 1.00 0.19 N ATOM 1159 CA ASN A 77 14.322 22.679 -25.603 1.00 0.21 C ATOM 1160 C ASN A 77 15.759 22.542 -26.113 1.00 0.18 C ATOM 1161 O ASN A 77 16.409 23.538 -26.431 1.00 0.18 O ATOM 1162 CB ASN A 77 14.263 23.685 -24.450 1.00 0.24 C ATOM 1163 CG ASN A 77 12.988 24.509 -24.474 1.00 0.92 C ATOM 1164 OD1 ASN A 77 12.044 24.189 -25.195 1.00 1.71 O ATOM 1165 ND2 ASN A 77 12.955 25.581 -23.688 1.00 1.52 N ATOM 0 H ASN A 77 13.824 21.200 -24.191 1.00 0.19 H new ATOM 0 HA ASN A 77 13.714 23.046 -26.429 1.00 0.21 H new ATOM 0 HB2 ASN A 77 14.332 23.153 -23.501 1.00 0.24 H new ATOM 0 HB3 ASN A 77 15.125 24.350 -24.506 1.00 0.24 H new ATOM 0 HD21 ASN A 77 12.125 26.173 -23.668 1.00 1.52 H new ATOM 0 HD22 ASN A 77 13.760 25.811 -23.105 1.00 1.52 H new ATOM 1172 N GLY A 78 16.249 21.308 -26.201 1.00 0.15 N ATOM 1173 CA GLY A 78 17.599 21.080 -26.684 1.00 0.14 C ATOM 1174 C GLY A 78 18.623 21.010 -25.573 1.00 0.14 C ATOM 1175 O GLY A 78 18.584 21.789 -24.621 1.00 0.16 O ATOM 0 H GLY A 78 15.736 20.464 -25.947 1.00 0.15 H new ATOM 0 HA2 GLY A 78 17.623 20.150 -27.251 1.00 0.14 H new ATOM 0 HA3 GLY A 78 17.872 21.880 -27.372 1.00 0.14 H new ATOM 1179 N GLY A 79 19.518 20.047 -25.693 1.00 0.14 N ATOM 1180 CA GLY A 79 20.545 19.836 -24.690 1.00 0.16 C ATOM 1181 C GLY A 79 20.433 18.455 -24.084 1.00 0.15 C ATOM 1182 O GLY A 79 19.626 17.650 -24.543 1.00 0.15 O ATOM 0 H GLY A 79 19.554 19.397 -26.478 1.00 0.14 H new ATOM 0 HA2 GLY A 79 21.530 19.961 -25.140 1.00 0.16 H new ATOM 0 HA3 GLY A 79 20.455 20.589 -23.907 1.00 0.16 H new ATOM 1186 N TYR A 80 21.244 18.164 -23.070 1.00 0.14 N ATOM 1187 CA TYR A 80 21.212 16.850 -22.429 1.00 0.14 C ATOM 1188 C TYR A 80 21.129 16.983 -20.911 1.00 0.14 C ATOM 1189 O TYR A 80 21.755 17.863 -20.320 1.00 0.15 O ATOM 1190 CB TYR A 80 22.455 16.041 -22.812 1.00 0.15 C ATOM 1191 CG TYR A 80 22.649 15.896 -24.305 1.00 0.19 C ATOM 1192 CD1 TYR A 80 21.753 15.166 -25.074 1.00 0.69 C ATOM 1193 CD2 TYR A 80 23.728 16.494 -24.946 1.00 0.73 C ATOM 1194 CE1 TYR A 80 21.923 15.036 -26.439 1.00 0.72 C ATOM 1195 CE2 TYR A 80 23.905 16.368 -26.311 1.00 0.75 C ATOM 1196 CZ TYR A 80 23.001 15.638 -27.052 1.00 0.35 C ATOM 1197 OH TYR A 80 23.173 15.512 -28.411 1.00 0.43 O ATOM 0 H TYR A 80 21.926 18.813 -22.677 1.00 0.14 H new ATOM 0 HA TYR A 80 20.322 16.327 -22.779 1.00 0.14 H new ATOM 0 HB2 TYR A 80 23.336 16.521 -22.385 1.00 0.15 H new ATOM 0 HB3 TYR A 80 22.384 15.049 -22.366 1.00 0.15 H new ATOM 0 HD1 TYR A 80 20.908 14.691 -24.597 1.00 0.69 H new ATOM 0 HD2 TYR A 80 24.439 17.066 -24.368 1.00 0.73 H new ATOM 0 HE1 TYR A 80 21.215 14.466 -27.022 1.00 0.72 H new ATOM 0 HE2 TYR A 80 24.748 16.839 -26.795 1.00 0.75 H new ATOM 0 HH TYR A 80 23.980 15.996 -28.685 1.00 0.43 H new ATOM 1207 N ASN A 81 20.342 16.109 -20.288 1.00 0.13 N ATOM 1208 CA ASN A 81 20.166 16.126 -18.841 1.00 0.13 C ATOM 1209 C ASN A 81 19.784 14.736 -18.334 1.00 0.12 C ATOM 1210 O ASN A 81 18.886 14.092 -18.875 1.00 0.11 O ATOM 1211 CB ASN A 81 19.090 17.142 -18.450 1.00 0.15 C ATOM 1212 CG ASN A 81 19.129 17.489 -16.975 1.00 0.19 C ATOM 1213 OD1 ASN A 81 20.122 17.238 -16.292 1.00 0.96 O ATOM 1214 ND2 ASN A 81 18.045 18.071 -16.475 1.00 1.16 N ATOM 0 H ASN A 81 19.815 15.378 -20.766 1.00 0.13 H new ATOM 0 HA ASN A 81 21.110 16.418 -18.381 1.00 0.13 H new ATOM 0 HB2 ASN A 81 19.222 18.051 -19.037 1.00 0.15 H new ATOM 0 HB3 ASN A 81 18.108 16.741 -18.700 1.00 0.15 H new ATOM 0 HD21 ASN A 81 18.013 18.328 -15.489 1.00 1.16 H new ATOM 0 HD22 ASN A 81 17.244 18.261 -17.077 1.00 1.16 H new ATOM 1221 N THR A 82 20.480 14.279 -17.299 1.00 0.12 N ATOM 1222 CA THR A 82 20.226 12.963 -16.717 1.00 0.12 C ATOM 1223 C THR A 82 19.255 13.058 -15.550 1.00 0.12 C ATOM 1224 O THR A 82 19.386 13.930 -14.691 1.00 0.14 O ATOM 1225 CB THR A 82 21.532 12.305 -16.273 1.00 0.13 C ATOM 1226 OG1 THR A 82 21.274 11.185 -15.445 1.00 0.15 O ATOM 1227 CG2 THR A 82 22.441 13.239 -15.511 1.00 0.15 C ATOM 0 H THR A 82 21.228 14.802 -16.843 1.00 0.12 H new ATOM 0 HA THR A 82 19.770 12.341 -17.487 1.00 0.12 H new ATOM 0 HB THR A 82 22.033 12.007 -17.194 1.00 0.13 H new ATOM 0 HG1 THR A 82 20.582 10.626 -15.857 1.00 0.15 H new ATOM 0 HG21 THR A 82 23.350 12.709 -15.225 1.00 0.15 H new ATOM 0 HG22 THR A 82 22.700 14.090 -16.141 1.00 0.15 H new ATOM 0 HG23 THR A 82 21.931 13.593 -14.615 1.00 0.15 H new ATOM 1235 N SER A 83 18.279 12.154 -15.523 1.00 0.11 N ATOM 1236 CA SER A 83 17.280 12.129 -14.464 1.00 0.11 C ATOM 1237 C SER A 83 17.320 10.793 -13.724 1.00 0.11 C ATOM 1238 O SER A 83 17.801 9.790 -14.255 1.00 0.10 O ATOM 1239 CB SER A 83 15.887 12.359 -15.053 1.00 0.11 C ATOM 1240 OG SER A 83 15.423 11.204 -15.732 1.00 0.32 O ATOM 0 H SER A 83 18.161 11.426 -16.228 1.00 0.11 H new ATOM 0 HA SER A 83 17.504 12.927 -13.756 1.00 0.11 H new ATOM 0 HB2 SER A 83 15.191 12.621 -14.256 1.00 0.11 H new ATOM 0 HB3 SER A 83 15.915 13.203 -15.742 1.00 0.11 H new ATOM 0 HG SER A 83 16.093 10.919 -16.389 1.00 0.32 H new ATOM 1246 N SER A 84 16.815 10.784 -12.496 1.00 0.13 N ATOM 1247 CA SER A 84 16.797 9.569 -11.694 1.00 0.13 C ATOM 1248 C SER A 84 15.377 9.216 -11.267 1.00 0.13 C ATOM 1249 O SER A 84 14.561 10.095 -10.994 1.00 0.14 O ATOM 1250 CB SER A 84 17.690 9.728 -10.462 1.00 0.14 C ATOM 1251 OG SER A 84 18.705 10.691 -10.687 1.00 1.07 O ATOM 0 H SER A 84 16.414 11.602 -12.036 1.00 0.13 H new ATOM 0 HA SER A 84 17.183 8.756 -12.309 1.00 0.13 H new ATOM 0 HB2 SER A 84 17.084 10.027 -9.606 1.00 0.14 H new ATOM 0 HB3 SER A 84 18.144 8.769 -10.212 1.00 0.14 H new ATOM 0 HG SER A 84 19.260 10.775 -9.884 1.00 1.07 H new ATOM 1257 N ILE A 85 15.092 7.918 -11.211 1.00 0.13 N ATOM 1258 CA ILE A 85 13.768 7.442 -10.819 1.00 0.14 C ATOM 1259 C ILE A 85 13.854 6.128 -10.039 1.00 0.13 C ATOM 1260 O ILE A 85 14.682 5.271 -10.345 1.00 0.13 O ATOM 1261 CB ILE A 85 12.871 7.249 -12.058 1.00 0.15 C ATOM 1262 CG1 ILE A 85 11.448 6.876 -11.642 1.00 0.20 C ATOM 1263 CG2 ILE A 85 13.458 6.191 -12.980 1.00 0.14 C ATOM 1264 CD1 ILE A 85 10.517 6.663 -12.817 1.00 0.73 C ATOM 0 H ILE A 85 15.758 7.178 -11.432 1.00 0.13 H new ATOM 0 HA ILE A 85 13.329 8.200 -10.171 1.00 0.14 H new ATOM 0 HB ILE A 85 12.828 8.192 -12.602 1.00 0.15 H new ATOM 0 HG12 ILE A 85 11.479 5.966 -11.042 1.00 0.20 H new ATOM 0 HG13 ILE A 85 11.045 7.664 -11.006 1.00 0.20 H new ATOM 0 HG21 ILE A 85 12.812 6.067 -13.849 1.00 0.14 H new ATOM 0 HG22 ILE A 85 14.450 6.503 -13.306 1.00 0.14 H new ATOM 0 HG23 ILE A 85 13.533 5.244 -12.446 1.00 0.14 H new ATOM 0 HD11 ILE A 85 9.524 6.401 -12.452 1.00 0.73 H new ATOM 0 HD12 ILE A 85 10.457 7.579 -13.405 1.00 0.73 H new ATOM 0 HD13 ILE A 85 10.898 5.855 -13.442 1.00 0.73 H new ATOM 1276 N ASP A 86 12.984 5.974 -9.039 1.00 0.14 N ATOM 1277 CA ASP A 86 12.952 4.761 -8.216 1.00 0.15 C ATOM 1278 C ASP A 86 11.848 3.810 -8.686 1.00 0.14 C ATOM 1279 O ASP A 86 10.672 4.174 -8.709 1.00 0.15 O ATOM 1280 CB ASP A 86 12.735 5.123 -6.745 1.00 0.18 C ATOM 1281 CG ASP A 86 12.975 3.945 -5.821 1.00 0.25 C ATOM 1282 OD1 ASP A 86 12.907 2.793 -6.299 1.00 1.18 O ATOM 1283 OD2 ASP A 86 13.231 4.174 -4.620 1.00 1.08 O ATOM 0 H ASP A 86 12.290 6.675 -8.778 1.00 0.14 H new ATOM 0 HA ASP A 86 13.912 4.256 -8.322 1.00 0.15 H new ATOM 0 HB2 ASP A 86 13.404 5.939 -6.471 1.00 0.18 H new ATOM 0 HB3 ASP A 86 11.717 5.487 -6.609 1.00 0.18 H new ATOM 1288 N LEU A 87 12.239 2.600 -9.081 1.00 0.13 N ATOM 1289 CA LEU A 87 11.281 1.605 -9.583 1.00 0.14 C ATOM 1290 C LEU A 87 10.892 0.551 -8.541 1.00 0.14 C ATOM 1291 O LEU A 87 10.060 -0.311 -8.823 1.00 0.14 O ATOM 1292 CB LEU A 87 11.842 0.917 -10.822 1.00 0.14 C ATOM 1293 CG LEU A 87 12.546 1.848 -11.806 1.00 0.16 C ATOM 1294 CD1 LEU A 87 13.312 1.044 -12.845 1.00 0.19 C ATOM 1295 CD2 LEU A 87 11.536 2.772 -12.471 1.00 0.19 C ATOM 0 H LEU A 87 13.208 2.281 -9.065 1.00 0.13 H new ATOM 0 HA LEU A 87 10.372 2.153 -9.831 1.00 0.14 H new ATOM 0 HB2 LEU A 87 12.545 0.146 -10.506 1.00 0.14 H new ATOM 0 HB3 LEU A 87 11.027 0.412 -11.341 1.00 0.14 H new ATOM 0 HG LEU A 87 13.262 2.460 -11.258 1.00 0.16 H new ATOM 0 HD11 LEU A 87 13.808 1.724 -13.538 1.00 0.19 H new ATOM 0 HD12 LEU A 87 14.059 0.425 -12.348 1.00 0.19 H new ATOM 0 HD13 LEU A 87 12.620 0.406 -13.395 1.00 0.19 H new ATOM 0 HD21 LEU A 87 12.051 3.431 -13.170 1.00 0.19 H new ATOM 0 HD22 LEU A 87 10.798 2.177 -13.009 1.00 0.19 H new ATOM 0 HD23 LEU A 87 11.035 3.371 -11.710 1.00 0.19 H new ATOM 1307 N ASN A 88 11.493 0.593 -7.354 1.00 0.16 N ATOM 1308 CA ASN A 88 11.196 -0.399 -6.312 1.00 0.17 C ATOM 1309 C ASN A 88 9.692 -0.649 -6.179 1.00 0.17 C ATOM 1310 O ASN A 88 9.272 -1.742 -5.799 1.00 0.18 O ATOM 1311 CB ASN A 88 11.743 0.089 -4.970 1.00 0.21 C ATOM 1312 CG ASN A 88 11.726 -0.995 -3.914 1.00 0.16 C ATOM 1313 OD1 ASN A 88 12.369 -2.116 -4.213 1.00 0.22 O flip ATOM 1314 ND2 ASN A 88 11.142 -0.827 -2.843 1.00 0.24 N flip ATOM 0 H ASN A 88 12.183 1.295 -7.087 1.00 0.16 H new ATOM 0 HA ASN A 88 11.673 -1.336 -6.600 1.00 0.17 H new ATOM 0 HB2 ASN A 88 12.764 0.446 -5.105 1.00 0.21 H new ATOM 0 HB3 ASN A 88 11.151 0.937 -4.626 1.00 0.21 H new ATOM 0 HD21 ASN A 88 10.661 0.053 -2.657 1.00 0.24 H new ATOM 0 HD22 ASN A 88 11.140 -1.568 -2.142 1.00 0.24 H new ATOM 1321 N SER A 89 8.885 0.359 -6.493 1.00 0.17 N ATOM 1322 CA SER A 89 7.434 0.222 -6.403 1.00 0.19 C ATOM 1323 C SER A 89 6.826 -0.419 -7.652 1.00 0.18 C ATOM 1324 O SER A 89 5.881 -1.201 -7.555 1.00 0.20 O ATOM 1325 CB SER A 89 6.785 1.583 -6.151 1.00 0.21 C ATOM 1326 OG SER A 89 7.027 2.024 -4.826 1.00 1.07 O ATOM 0 H SER A 89 9.207 1.274 -6.810 1.00 0.17 H new ATOM 0 HA SER A 89 7.232 -0.443 -5.564 1.00 0.19 H new ATOM 0 HB2 SER A 89 7.177 2.313 -6.858 1.00 0.21 H new ATOM 0 HB3 SER A 89 5.711 1.516 -6.325 1.00 0.21 H new ATOM 0 HG SER A 89 6.604 2.897 -4.689 1.00 1.07 H new ATOM 1332 N VAL A 90 7.335 -0.062 -8.826 1.00 0.17 N ATOM 1333 CA VAL A 90 6.795 -0.595 -10.074 1.00 0.17 C ATOM 1334 C VAL A 90 7.172 -2.060 -10.310 1.00 0.15 C ATOM 1335 O VAL A 90 6.311 -2.882 -10.625 1.00 0.17 O ATOM 1336 CB VAL A 90 7.212 0.260 -11.295 1.00 0.18 C ATOM 1337 CG1 VAL A 90 7.052 1.739 -10.990 1.00 0.20 C ATOM 1338 CG2 VAL A 90 8.640 -0.038 -11.728 1.00 0.16 C ATOM 0 H VAL A 90 8.113 0.588 -8.941 1.00 0.17 H new ATOM 0 HA VAL A 90 5.711 -0.547 -9.966 1.00 0.17 H new ATOM 0 HB VAL A 90 6.552 -0.004 -12.121 1.00 0.18 H new ATOM 0 HG11 VAL A 90 7.350 2.324 -11.860 1.00 0.20 H new ATOM 0 HG12 VAL A 90 6.010 1.950 -10.750 1.00 0.20 H new ATOM 0 HG13 VAL A 90 7.681 2.006 -10.141 1.00 0.20 H new ATOM 0 HG21 VAL A 90 8.896 0.581 -12.588 1.00 0.16 H new ATOM 0 HG22 VAL A 90 9.322 0.181 -10.907 1.00 0.16 H new ATOM 0 HG23 VAL A 90 8.726 -1.090 -12.000 1.00 0.16 H new ATOM 1348 N ILE A 91 8.452 -2.384 -10.168 1.00 0.14 N ATOM 1349 CA ILE A 91 8.921 -3.750 -10.377 1.00 0.13 C ATOM 1350 C ILE A 91 8.754 -4.578 -9.104 1.00 0.13 C ATOM 1351 O ILE A 91 8.845 -4.050 -7.995 1.00 0.13 O ATOM 1352 CB ILE A 91 10.399 -3.782 -10.847 1.00 0.12 C ATOM 1353 CG1 ILE A 91 10.521 -3.216 -12.271 1.00 0.11 C ATOM 1354 CG2 ILE A 91 10.956 -5.200 -10.793 1.00 0.13 C ATOM 1355 CD1 ILE A 91 11.434 -2.010 -12.364 1.00 0.12 C ATOM 0 H ILE A 91 9.183 -1.721 -9.909 1.00 0.14 H new ATOM 0 HA ILE A 91 8.309 -4.188 -11.166 1.00 0.13 H new ATOM 0 HB ILE A 91 10.984 -3.159 -10.170 1.00 0.12 H new ATOM 0 HG12 ILE A 91 10.894 -3.997 -12.933 1.00 0.11 H new ATOM 0 HG13 ILE A 91 9.530 -2.940 -12.630 1.00 0.11 H new ATOM 0 HG21 ILE A 91 11.993 -5.196 -11.127 1.00 0.13 H new ATOM 0 HG22 ILE A 91 10.906 -5.572 -9.770 1.00 0.13 H new ATOM 0 HG23 ILE A 91 10.368 -5.847 -11.443 1.00 0.13 H new ATOM 0 HD11 ILE A 91 11.474 -1.663 -13.396 1.00 0.12 H new ATOM 0 HD12 ILE A 91 11.050 -1.213 -11.727 1.00 0.12 H new ATOM 0 HD13 ILE A 91 12.436 -2.286 -12.035 1.00 0.12 H new ATOM 1367 N GLU A 92 8.491 -5.870 -9.267 1.00 0.13 N ATOM 1368 CA GLU A 92 8.292 -6.761 -8.134 1.00 0.14 C ATOM 1369 C GLU A 92 9.013 -8.079 -8.381 1.00 0.13 C ATOM 1370 O GLU A 92 9.373 -8.380 -9.515 1.00 0.12 O ATOM 1371 CB GLU A 92 6.796 -7.025 -7.947 1.00 0.16 C ATOM 1372 CG GLU A 92 6.439 -7.582 -6.581 1.00 0.20 C ATOM 1373 CD GLU A 92 4.945 -7.564 -6.324 1.00 0.31 C ATOM 1374 OE1 GLU A 92 4.183 -7.955 -7.232 1.00 1.14 O ATOM 1375 OE2 GLU A 92 4.538 -7.157 -5.215 1.00 1.17 O ATOM 0 H GLU A 92 8.411 -6.323 -10.177 1.00 0.13 H new ATOM 0 HA GLU A 92 8.695 -6.294 -7.235 1.00 0.14 H new ATOM 0 HB2 GLU A 92 6.250 -6.095 -8.104 1.00 0.16 H new ATOM 0 HB3 GLU A 92 6.461 -7.724 -8.713 1.00 0.16 H new ATOM 0 HG2 GLU A 92 6.807 -8.605 -6.501 1.00 0.20 H new ATOM 0 HG3 GLU A 92 6.945 -7.000 -5.810 1.00 0.20 H new ATOM 1382 N ASN A 93 9.231 -8.868 -7.332 1.00 0.13 N ATOM 1383 CA ASN A 93 9.915 -10.146 -7.485 1.00 0.13 C ATOM 1384 C ASN A 93 8.922 -11.295 -7.341 1.00 0.13 C ATOM 1385 O ASN A 93 8.549 -11.681 -6.233 1.00 0.14 O ATOM 1386 CB ASN A 93 11.032 -10.271 -6.445 1.00 0.13 C ATOM 1387 CG ASN A 93 11.793 -11.577 -6.560 1.00 0.13 C ATOM 1388 OD1 ASN A 93 11.981 -12.107 -7.656 1.00 0.22 O ATOM 1389 ND2 ASN A 93 12.235 -12.104 -5.425 1.00 0.23 N ATOM 0 H ASN A 93 8.947 -8.647 -6.378 1.00 0.13 H new ATOM 0 HA ASN A 93 10.358 -10.194 -8.480 1.00 0.13 H new ATOM 0 HB2 ASN A 93 11.726 -9.439 -6.561 1.00 0.13 H new ATOM 0 HB3 ASN A 93 10.604 -10.191 -5.446 1.00 0.13 H new ATOM 0 HD21 ASN A 93 12.753 -12.982 -5.438 1.00 0.23 H new ATOM 0 HD22 ASN A 93 12.056 -11.631 -4.539 1.00 0.23 H new ATOM 1396 N VAL A 94 8.505 -11.834 -8.479 1.00 0.13 N ATOM 1397 CA VAL A 94 7.555 -12.942 -8.506 1.00 0.14 C ATOM 1398 C VAL A 94 8.252 -14.282 -8.729 1.00 0.13 C ATOM 1399 O VAL A 94 8.554 -14.647 -9.864 1.00 0.12 O ATOM 1400 CB VAL A 94 6.487 -12.743 -9.595 1.00 0.14 C ATOM 1401 CG1 VAL A 94 5.386 -13.784 -9.459 1.00 0.16 C ATOM 1402 CG2 VAL A 94 5.911 -11.337 -9.524 1.00 0.16 C ATOM 0 H VAL A 94 8.811 -11.521 -9.400 1.00 0.13 H new ATOM 0 HA VAL A 94 7.072 -12.955 -7.529 1.00 0.14 H new ATOM 0 HB VAL A 94 6.958 -12.871 -10.570 1.00 0.14 H new ATOM 0 HG11 VAL A 94 4.639 -13.628 -10.238 1.00 0.16 H new ATOM 0 HG12 VAL A 94 5.814 -14.781 -9.561 1.00 0.16 H new ATOM 0 HG13 VAL A 94 4.915 -13.690 -8.481 1.00 0.16 H new ATOM 0 HG21 VAL A 94 5.157 -11.213 -10.301 1.00 0.16 H new ATOM 0 HG22 VAL A 94 5.454 -11.180 -8.547 1.00 0.16 H new ATOM 0 HG23 VAL A 94 6.709 -10.609 -9.673 1.00 0.16 H new ATOM 1412 N ASP A 95 8.490 -15.023 -7.649 1.00 0.14 N ATOM 1413 CA ASP A 95 9.136 -16.330 -7.740 1.00 0.14 C ATOM 1414 C ASP A 95 10.460 -16.265 -8.497 1.00 0.13 C ATOM 1415 O ASP A 95 10.832 -17.212 -9.189 1.00 0.13 O ATOM 1416 CB ASP A 95 8.203 -17.338 -8.414 1.00 0.14 C ATOM 1417 CG ASP A 95 8.641 -18.770 -8.176 1.00 0.15 C ATOM 1418 OD1 ASP A 95 9.194 -19.048 -7.089 1.00 0.16 O ATOM 1419 OD2 ASP A 95 8.433 -19.612 -9.074 1.00 0.24 O ATOM 0 H ASP A 95 8.245 -14.740 -6.700 1.00 0.14 H new ATOM 0 HA ASP A 95 9.351 -16.654 -6.722 1.00 0.14 H new ATOM 0 HB2 ASP A 95 7.190 -17.202 -8.036 1.00 0.14 H new ATOM 0 HB3 ASP A 95 8.172 -17.142 -9.486 1.00 0.14 H new ATOM 1424 N GLY A 96 11.170 -15.150 -8.360 1.00 0.12 N ATOM 1425 CA GLY A 96 12.453 -15.000 -9.032 1.00 0.12 C ATOM 1426 C GLY A 96 12.339 -14.330 -10.390 1.00 0.12 C ATOM 1427 O GLY A 96 13.170 -14.556 -11.269 1.00 0.12 O ATOM 0 H GLY A 96 10.883 -14.348 -7.798 1.00 0.12 H new ATOM 0 HA2 GLY A 96 13.121 -14.415 -8.400 1.00 0.12 H new ATOM 0 HA3 GLY A 96 12.909 -15.982 -9.155 1.00 0.12 H new ATOM 1431 N SER A 97 11.312 -13.504 -10.562 1.00 0.11 N ATOM 1432 CA SER A 97 11.102 -12.801 -11.823 1.00 0.11 C ATOM 1433 C SER A 97 10.597 -11.382 -11.579 1.00 0.11 C ATOM 1434 O SER A 97 9.685 -11.168 -10.779 1.00 0.12 O ATOM 1435 CB SER A 97 10.112 -13.564 -12.705 1.00 0.12 C ATOM 1436 OG SER A 97 10.787 -14.466 -13.566 1.00 1.23 O ATOM 0 H SER A 97 10.613 -13.305 -9.846 1.00 0.11 H new ATOM 0 HA SER A 97 12.061 -12.743 -12.338 1.00 0.11 H new ATOM 0 HB2 SER A 97 9.409 -14.112 -12.078 1.00 0.12 H new ATOM 0 HB3 SER A 97 9.529 -12.859 -13.297 1.00 0.12 H new ATOM 0 HG SER A 97 10.133 -14.943 -14.118 1.00 1.23 H new ATOM 1442 N LEU A 98 11.186 -10.415 -12.278 1.00 0.11 N ATOM 1443 CA LEU A 98 10.784 -9.019 -12.135 1.00 0.11 C ATOM 1444 C LEU A 98 9.448 -8.771 -12.823 1.00 0.12 C ATOM 1445 O LEU A 98 9.297 -9.031 -14.017 1.00 0.12 O ATOM 1446 CB LEU A 98 11.843 -8.084 -12.724 1.00 0.11 C ATOM 1447 CG LEU A 98 13.263 -8.284 -12.195 1.00 0.13 C ATOM 1448 CD1 LEU A 98 14.217 -7.310 -12.871 1.00 0.13 C ATOM 1449 CD2 LEU A 98 13.298 -8.106 -10.685 1.00 0.19 C ATOM 0 H LEU A 98 11.940 -10.572 -12.946 1.00 0.11 H new ATOM 0 HA LEU A 98 10.681 -8.811 -11.070 1.00 0.11 H new ATOM 0 HB2 LEU A 98 11.855 -8.213 -13.806 1.00 0.11 H new ATOM 0 HB3 LEU A 98 11.543 -7.054 -12.529 1.00 0.11 H new ATOM 0 HG LEU A 98 13.582 -9.300 -12.427 1.00 0.13 H new ATOM 0 HD11 LEU A 98 15.225 -7.462 -12.486 1.00 0.13 H new ATOM 0 HD12 LEU A 98 14.210 -7.482 -13.947 1.00 0.13 H new ATOM 0 HD13 LEU A 98 13.900 -6.288 -12.664 1.00 0.13 H new ATOM 0 HD21 LEU A 98 14.316 -8.252 -10.325 1.00 0.19 H new ATOM 0 HD22 LEU A 98 12.963 -7.101 -10.429 1.00 0.19 H new ATOM 0 HD23 LEU A 98 12.639 -8.838 -10.217 1.00 0.19 H new ATOM 1461 N LYS A 99 8.474 -8.282 -12.062 1.00 0.13 N ATOM 1462 CA LYS A 99 7.145 -8.015 -12.600 1.00 0.14 C ATOM 1463 C LYS A 99 6.744 -6.558 -12.400 1.00 0.15 C ATOM 1464 O LYS A 99 7.057 -5.950 -11.378 1.00 0.17 O ATOM 1465 CB LYS A 99 6.121 -8.932 -11.930 1.00 0.16 C ATOM 1466 CG LYS A 99 6.088 -10.335 -12.519 1.00 0.17 C ATOM 1467 CD LYS A 99 4.663 -10.832 -12.710 1.00 0.80 C ATOM 1468 CE LYS A 99 4.628 -12.323 -13.011 1.00 0.93 C ATOM 1469 NZ LYS A 99 3.595 -12.662 -14.029 1.00 1.50 N ATOM 0 H LYS A 99 8.580 -8.063 -11.072 1.00 0.13 H new ATOM 0 HA LYS A 99 7.169 -8.213 -13.672 1.00 0.14 H new ATOM 0 HB2 LYS A 99 6.346 -8.998 -10.865 1.00 0.16 H new ATOM 0 HB3 LYS A 99 5.131 -8.485 -12.020 1.00 0.16 H new ATOM 0 HG2 LYS A 99 6.606 -10.339 -13.478 1.00 0.17 H new ATOM 0 HG3 LYS A 99 6.627 -11.018 -11.862 1.00 0.17 H new ATOM 0 HD2 LYS A 99 4.082 -10.628 -11.811 1.00 0.80 H new ATOM 0 HD3 LYS A 99 4.192 -10.284 -13.526 1.00 0.80 H new ATOM 0 HE2 LYS A 99 5.607 -12.644 -13.367 1.00 0.93 H new ATOM 0 HE3 LYS A 99 4.426 -12.874 -12.092 1.00 0.93 H new ATOM 0 HZ1 LYS A 99 3.604 -13.687 -14.205 1.00 1.50 H new ATOM 0 HZ2 LYS A 99 2.657 -12.379 -13.679 1.00 1.50 H new ATOM 0 HZ3 LYS A 99 3.801 -12.157 -14.914 1.00 1.50 H new ATOM 1483 N TYR A 100 6.045 -6.007 -13.387 1.00 0.22 N ATOM 1484 CA TYR A 100 5.593 -4.621 -13.330 1.00 0.25 C ATOM 1485 C TYR A 100 4.215 -4.529 -12.686 1.00 0.30 C ATOM 1486 O TYR A 100 3.203 -4.394 -13.375 1.00 1.23 O ATOM 1487 CB TYR A 100 5.555 -4.021 -14.738 1.00 0.34 C ATOM 1488 CG TYR A 100 5.373 -2.520 -14.756 1.00 0.46 C ATOM 1489 CD1 TYR A 100 6.464 -1.667 -14.643 1.00 1.26 C ATOM 1490 CD2 TYR A 100 4.110 -1.957 -14.887 1.00 1.07 C ATOM 1491 CE1 TYR A 100 6.300 -0.294 -14.658 1.00 1.44 C ATOM 1492 CE2 TYR A 100 3.939 -0.585 -14.904 1.00 1.19 C ATOM 1493 CZ TYR A 100 5.036 0.241 -14.790 1.00 0.98 C ATOM 1494 OH TYR A 100 4.869 1.607 -14.806 1.00 1.27 O ATOM 0 H TYR A 100 5.778 -6.501 -14.239 1.00 0.22 H new ATOM 0 HA TYR A 100 6.297 -4.055 -12.720 1.00 0.25 H new ATOM 0 HB2 TYR A 100 6.481 -4.272 -15.255 1.00 0.34 H new ATOM 0 HB3 TYR A 100 4.742 -4.483 -15.298 1.00 0.34 H new ATOM 0 HD1 TYR A 100 7.456 -2.083 -14.542 1.00 1.26 H new ATOM 0 HD2 TYR A 100 3.248 -2.601 -14.977 1.00 1.07 H new ATOM 0 HE1 TYR A 100 7.158 0.356 -14.567 1.00 1.44 H new ATOM 0 HE2 TYR A 100 2.950 -0.163 -15.006 1.00 1.19 H new ATOM 0 HH TYR A 100 5.746 2.044 -14.791 1.00 1.27 H new ATOM 1504 N GLU A 101 4.182 -4.609 -11.359 1.00 1.09 N ATOM 1505 CA GLU A 101 2.928 -4.538 -10.617 1.00 1.20 C ATOM 1506 C GLU A 101 3.178 -4.651 -9.116 1.00 2.12 C ATOM 1507 O GLU A 101 3.299 -3.597 -8.457 1.00 2.72 O ATOM 1508 CB GLU A 101 1.979 -5.649 -11.072 1.00 2.10 C ATOM 1509 CG GLU A 101 0.517 -5.234 -11.081 1.00 2.55 C ATOM 1510 CD GLU A 101 -0.397 -6.313 -10.536 1.00 3.17 C ATOM 1511 OE1 GLU A 101 -0.703 -7.266 -11.284 1.00 3.53 O ATOM 1512 OE2 GLU A 101 -0.807 -6.206 -9.361 1.00 3.84 O ATOM 1513 OXT GLU A 101 3.251 -5.792 -8.613 1.00 2.90 O ATOM 0 H GLU A 101 5.011 -4.723 -10.775 1.00 1.09 H new ATOM 0 HA GLU A 101 2.468 -3.571 -10.820 1.00 1.20 H new ATOM 0 HB2 GLU A 101 2.263 -5.970 -12.074 1.00 2.10 H new ATOM 0 HB3 GLU A 101 2.100 -6.510 -10.415 1.00 2.10 H new ATOM 0 HG2 GLU A 101 0.397 -4.327 -10.488 1.00 2.55 H new ATOM 0 HG3 GLU A 101 0.218 -4.990 -12.101 1.00 2.55 H new TER 1520 GLU A 101