USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 86 GLN : amide:sc= 0.901 K(o=2.8,f=1.1) USER MOD Set 1.2: A 89 GLN : amide:sc= 1.94 K(o=2.8,f=0.35) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.125 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00216 X(o=-0.0022,f=-0.0022) USER MOD Single : A 3 MET CE :methyl 175:sc= 0 (180deg=-0.0319) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 174:sc= 0 (180deg=-0.069) USER MOD Single : A 19 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.71) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -37:sc= 0.0812 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -166:sc= -0.886 (180deg=-1.56) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 1.63 (180deg=0.14) USER MOD Single : A 58 TYR OH : rot -93:sc= 0.284 USER MOD Single : A 65 SER OG : rot 77:sc= 0.38 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 40:sc= 1.16 USER MOD Single : A 76 GLN : amide:sc= -0.0831 K(o=-0.083,f=-0.64) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.645 25.315 -14.917 1.00 3.24 N ATOM 2 CA GLY A 1 -8.086 25.131 -14.702 1.00 30.54 C ATOM 3 C GLY A 1 -8.321 23.981 -13.738 1.00 52.14 C ATOM 4 O GLY A 1 -7.420 23.175 -13.510 1.00 13.44 O ATOM 0 H1 GLY A 1 -6.363 26.260 -14.588 1.00 3.24 H new ATOM 0 H2 GLY A 1 -6.120 24.592 -14.385 1.00 3.24 H new ATOM 0 H3 GLY A 1 -6.431 25.223 -15.930 1.00 3.24 H new ATOM 0 HA2 GLY A 1 -8.523 26.047 -14.303 1.00 30.54 H new ATOM 0 HA3 GLY A 1 -8.581 24.928 -15.652 1.00 30.54 H new ATOM 8 N HIS A 2 -9.532 23.880 -13.183 1.00 2.04 N ATOM 9 CA HIS A 2 -9.936 22.883 -12.185 1.00 62.33 C ATOM 10 C HIS A 2 -9.173 23.034 -10.855 1.00 1.30 C ATOM 11 O HIS A 2 -9.246 22.144 -10.008 1.00 25.40 O ATOM 12 CB HIS A 2 -9.880 21.451 -12.753 1.00 13.44 C ATOM 13 CG HIS A 2 -10.324 21.333 -14.193 1.00 31.54 C ATOM 14 ND1 HIS A 2 -9.486 21.164 -15.271 1.00 34.41 N ATOM 15 CD2 HIS A 2 -11.607 21.415 -14.669 1.00 51.31 C ATOM 16 CE1 HIS A 2 -10.246 21.140 -16.378 1.00 21.54 C ATOM 17 NE2 HIS A 2 -11.543 21.309 -16.065 1.00 21.21 N ATOM 0 H HIS A 2 -10.290 24.517 -13.426 1.00 2.04 H new ATOM 0 HA HIS A 2 -10.981 23.079 -11.945 1.00 62.33 H new ATOM 0 HB2 HIS A 2 -8.859 21.079 -12.669 1.00 13.44 H new ATOM 0 HB3 HIS A 2 -10.506 20.804 -12.138 1.00 13.44 H new ATOM 0 HD2 HIS A 2 -12.502 21.539 -14.077 1.00 51.31 H new ATOM 0 HE1 HIS A 2 -9.868 21.004 -17.381 1.00 21.54 H new ATOM 0 HE2 HIS A 2 -12.327 21.352 -16.716 1.00 21.21 H new ATOM 24 N MET A 3 -8.506 24.177 -10.649 1.00 2.30 N ATOM 25 CA MET A 3 -7.680 24.547 -9.502 1.00 23.14 C ATOM 26 C MET A 3 -6.473 23.619 -9.314 1.00 30.24 C ATOM 27 O MET A 3 -6.423 22.498 -9.822 1.00 41.21 O ATOM 28 CB MET A 3 -8.530 24.732 -8.229 1.00 72.15 C ATOM 29 CG MET A 3 -9.581 25.834 -8.434 1.00 31.12 C ATOM 30 SD MET A 3 -10.670 26.188 -7.031 1.00 34.52 S ATOM 31 CE MET A 3 -9.497 26.860 -5.824 1.00 41.12 C ATOM 0 H MET A 3 -8.536 24.926 -11.341 1.00 2.30 H new ATOM 0 HA MET A 3 -7.244 25.523 -9.718 1.00 23.14 H new ATOM 0 HB2 MET A 3 -9.024 23.794 -7.976 1.00 72.15 H new ATOM 0 HB3 MET A 3 -7.885 24.989 -7.389 1.00 72.15 H new ATOM 0 HG2 MET A 3 -9.062 26.754 -8.703 1.00 31.12 H new ATOM 0 HG3 MET A 3 -10.202 25.558 -9.286 1.00 31.12 H new ATOM 0 HE1 MET A 3 -10.039 27.204 -4.943 1.00 41.12 H new ATOM 0 HE2 MET A 3 -8.789 26.084 -5.534 1.00 41.12 H new ATOM 0 HE3 MET A 3 -8.957 27.696 -6.268 1.00 41.12 H new ATOM 39 N ASN A 4 -5.461 24.116 -8.603 1.00 72.52 N ATOM 40 CA ASN A 4 -4.220 23.382 -8.369 1.00 14.20 C ATOM 41 C ASN A 4 -4.460 22.257 -7.359 1.00 24.32 C ATOM 42 O ASN A 4 -5.431 22.311 -6.606 1.00 33.14 O ATOM 43 CB ASN A 4 -3.128 24.356 -7.901 1.00 5.22 C ATOM 44 CG ASN A 4 -2.442 25.013 -9.092 1.00 53.04 C ATOM 45 OD1 ASN A 4 -1.615 24.392 -9.753 1.00 23.23 O ATOM 46 ND2 ASN A 4 -2.740 26.256 -9.413 1.00 43.11 N ATOM 0 H ASN A 4 -5.480 25.041 -8.173 1.00 72.52 H new ATOM 0 HA ASN A 4 -3.880 22.919 -9.295 1.00 14.20 H new ATOM 0 HB2 ASN A 4 -3.567 25.121 -7.261 1.00 5.22 H new ATOM 0 HB3 ASN A 4 -2.391 23.822 -7.300 1.00 5.22 H new ATOM 0 HD21 ASN A 4 -2.284 26.700 -10.210 1.00 43.11 H new ATOM 0 HD22 ASN A 4 -3.427 26.774 -8.865 1.00 43.11 H new ATOM 52 N LEU A 5 -3.585 21.245 -7.333 1.00 62.32 N ATOM 53 CA LEU A 5 -3.730 20.055 -6.481 1.00 71.23 C ATOM 54 C LEU A 5 -3.607 20.435 -4.998 1.00 12.12 C ATOM 55 O LEU A 5 -2.931 21.413 -4.666 1.00 10.41 O ATOM 56 CB LEU A 5 -2.654 19.024 -6.877 1.00 42.32 C ATOM 57 CG LEU A 5 -2.792 17.613 -6.266 1.00 44.35 C ATOM 58 CD1 LEU A 5 -3.984 16.812 -6.804 1.00 51.13 C ATOM 59 CD2 LEU A 5 -1.508 16.832 -6.557 1.00 74.33 C ATOM 0 H LEU A 5 -2.744 21.228 -7.910 1.00 62.32 H new ATOM 0 HA LEU A 5 -4.718 19.618 -6.627 1.00 71.23 H new ATOM 0 HB2 LEU A 5 -2.658 18.927 -7.963 1.00 42.32 H new ATOM 0 HB3 LEU A 5 -1.679 19.423 -6.596 1.00 42.32 H new ATOM 0 HG LEU A 5 -2.964 17.748 -5.198 1.00 44.35 H new ATOM 0 HD11 LEU A 5 -4.010 15.833 -6.325 1.00 51.13 H new ATOM 0 HD12 LEU A 5 -4.909 17.347 -6.588 1.00 51.13 H new ATOM 0 HD13 LEU A 5 -3.881 16.686 -7.882 1.00 51.13 H new ATOM 0 HD21 LEU A 5 -1.587 15.831 -6.132 1.00 74.33 H new ATOM 0 HD22 LEU A 5 -1.363 16.759 -7.635 1.00 74.33 H new ATOM 0 HD23 LEU A 5 -0.658 17.349 -6.111 1.00 74.33 H new ATOM 70 N THR A 6 -4.226 19.656 -4.113 1.00 44.45 N ATOM 71 CA THR A 6 -4.059 19.739 -2.667 1.00 5.33 C ATOM 72 C THR A 6 -2.880 18.838 -2.257 1.00 2.00 C ATOM 73 O THR A 6 -2.712 17.754 -2.826 1.00 30.32 O ATOM 74 CB THR A 6 -5.387 19.372 -1.956 1.00 2.10 C ATOM 75 OG1 THR A 6 -5.169 18.893 -0.649 1.00 62.23 O ATOM 76 CG2 THR A 6 -6.242 18.323 -2.675 1.00 45.24 C ATOM 0 H THR A 6 -4.880 18.925 -4.395 1.00 44.45 H new ATOM 0 HA THR A 6 -3.821 20.757 -2.358 1.00 5.33 H new ATOM 0 HB THR A 6 -5.931 20.317 -1.956 1.00 2.10 H new ATOM 0 HG1 THR A 6 -6.029 18.674 -0.233 1.00 62.23 H new ATOM 0 HG21 THR A 6 -7.148 18.135 -2.099 1.00 45.24 H new ATOM 0 HG22 THR A 6 -6.511 18.690 -3.666 1.00 45.24 H new ATOM 0 HG23 THR A 6 -5.676 17.397 -2.773 1.00 45.24 H new ATOM 84 N PRO A 7 -2.090 19.216 -1.236 1.00 64.15 N ATOM 85 CA PRO A 7 -1.018 18.372 -0.729 1.00 13.12 C ATOM 86 C PRO A 7 -1.562 17.063 -0.160 1.00 51.45 C ATOM 87 O PRO A 7 -0.838 16.070 -0.143 1.00 45.23 O ATOM 88 CB PRO A 7 -0.318 19.193 0.358 1.00 34.42 C ATOM 89 CG PRO A 7 -1.396 20.163 0.835 1.00 31.42 C ATOM 90 CD PRO A 7 -2.221 20.414 -0.426 1.00 72.43 C ATOM 0 HA PRO A 7 -0.329 18.091 -1.525 1.00 13.12 H new ATOM 0 HB2 PRO A 7 0.038 18.560 1.171 1.00 34.42 H new ATOM 0 HB3 PRO A 7 0.549 19.722 -0.037 1.00 34.42 H new ATOM 0 HG2 PRO A 7 -2.001 19.732 1.633 1.00 31.42 H new ATOM 0 HG3 PRO A 7 -0.964 21.085 1.224 1.00 31.42 H new ATOM 0 HD2 PRO A 7 -3.265 20.605 -0.177 1.00 72.43 H new ATOM 0 HD3 PRO A 7 -1.856 21.290 -0.963 1.00 72.43 H new ATOM 95 N GLU A 8 -2.819 17.039 0.283 1.00 71.32 N ATOM 96 CA GLU A 8 -3.395 15.885 0.960 1.00 62.35 C ATOM 97 C GLU A 8 -3.588 14.753 -0.053 1.00 31.42 C ATOM 98 O GLU A 8 -3.297 13.596 0.232 1.00 70.25 O ATOM 99 CB GLU A 8 -4.719 16.287 1.633 1.00 1.24 C ATOM 100 CG GLU A 8 -4.544 17.530 2.523 1.00 13.23 C ATOM 101 CD GLU A 8 -5.815 17.828 3.327 1.00 11.22 C ATOM 102 OE1 GLU A 8 -6.008 17.216 4.399 1.00 52.12 O ATOM 103 OE2 GLU A 8 -6.597 18.691 2.873 1.00 23.43 O ATOM 0 H GLU A 8 -3.465 17.822 0.181 1.00 71.32 H new ATOM 0 HA GLU A 8 -2.724 15.528 1.742 1.00 62.35 H new ATOM 0 HB2 GLU A 8 -5.470 16.488 0.869 1.00 1.24 H new ATOM 0 HB3 GLU A 8 -5.090 15.457 2.234 1.00 1.24 H new ATOM 0 HG2 GLU A 8 -3.708 17.376 3.205 1.00 13.23 H new ATOM 0 HG3 GLU A 8 -4.294 18.391 1.903 1.00 13.23 H new ATOM 108 N GLU A 9 -4.014 15.088 -1.275 1.00 21.42 N ATOM 109 CA GLU A 9 -4.226 14.135 -2.354 1.00 21.43 C ATOM 110 C GLU A 9 -2.898 13.651 -2.959 1.00 22.40 C ATOM 111 O GLU A 9 -2.851 12.594 -3.584 1.00 31.41 O ATOM 112 CB GLU A 9 -5.143 14.817 -3.380 1.00 61.33 C ATOM 113 CG GLU A 9 -5.759 13.863 -4.404 1.00 21.10 C ATOM 114 CD GLU A 9 -7.251 14.156 -4.574 1.00 50.05 C ATOM 115 OE1 GLU A 9 -7.620 15.200 -5.161 1.00 71.25 O ATOM 116 OE2 GLU A 9 -8.077 13.403 -4.021 1.00 62.32 O ATOM 0 H GLU A 9 -4.224 16.050 -1.541 1.00 21.42 H new ATOM 0 HA GLU A 9 -4.703 13.228 -1.984 1.00 21.43 H new ATOM 0 HB2 GLU A 9 -5.945 15.329 -2.849 1.00 61.33 H new ATOM 0 HB3 GLU A 9 -4.573 15.581 -3.909 1.00 61.33 H new ATOM 0 HG2 GLU A 9 -5.249 13.969 -5.362 1.00 21.10 H new ATOM 0 HG3 GLU A 9 -5.619 12.832 -4.080 1.00 21.10 H new ATOM 121 N ARG A 10 -1.806 14.399 -2.766 1.00 63.34 N ATOM 122 CA ARG A 10 -0.456 13.932 -3.087 1.00 14.12 C ATOM 123 C ARG A 10 0.100 13.053 -1.964 1.00 52.12 C ATOM 124 O ARG A 10 0.878 12.138 -2.244 1.00 10.23 O ATOM 125 CB ARG A 10 0.432 15.150 -3.371 1.00 1.24 C ATOM 126 CG ARG A 10 1.870 14.784 -3.766 1.00 1.10 C ATOM 127 CD ARG A 10 2.585 16.056 -4.220 1.00 71.42 C ATOM 128 NE ARG A 10 4.045 15.895 -4.255 1.00 12.40 N ATOM 129 CZ ARG A 10 4.905 16.917 -4.220 1.00 74.35 C ATOM 130 NH1 ARG A 10 4.497 18.173 -4.336 1.00 45.25 N ATOM 131 NH2 ARG A 10 6.202 16.685 -4.098 1.00 21.54 N ATOM 0 H ARG A 10 -1.835 15.344 -2.383 1.00 63.34 H new ATOM 0 HA ARG A 10 -0.479 13.306 -3.979 1.00 14.12 H new ATOM 0 HB2 ARG A 10 -0.017 15.738 -4.171 1.00 1.24 H new ATOM 0 HB3 ARG A 10 0.458 15.785 -2.485 1.00 1.24 H new ATOM 0 HG2 ARG A 10 2.393 14.336 -2.921 1.00 1.10 H new ATOM 0 HG3 ARG A 10 1.867 14.045 -4.567 1.00 1.10 H new ATOM 0 HD2 ARG A 10 2.229 16.336 -5.212 1.00 71.42 H new ATOM 0 HD3 ARG A 10 2.328 16.874 -3.547 1.00 71.42 H new ATOM 0 HE ARG A 10 4.424 14.949 -4.309 1.00 12.40 H new ATOM 0 HH11 ARG A 10 3.505 18.378 -4.455 1.00 45.25 H new ATOM 0 HH12 ARG A 10 5.175 18.934 -4.306 1.00 45.25 H new ATOM 0 HH21 ARG A 10 6.545 15.727 -4.031 1.00 21.54 H new ATOM 0 HH22 ARG A 10 6.859 17.465 -4.071 1.00 21.54 H new ATOM 142 N ASP A 11 -0.283 13.293 -0.710 1.00 30.33 N ATOM 143 CA ASP A 11 0.082 12.428 0.416 1.00 25.54 C ATOM 144 C ASP A 11 -0.606 11.074 0.249 1.00 50.35 C ATOM 145 O ASP A 11 0.024 10.030 0.428 1.00 33.20 O ATOM 146 CB ASP A 11 -0.269 13.087 1.765 1.00 33.53 C ATOM 147 CG ASP A 11 0.998 13.364 2.574 1.00 3.14 C ATOM 148 OD1 ASP A 11 1.845 14.164 2.111 1.00 23.21 O ATOM 149 OD2 ASP A 11 1.188 12.764 3.656 1.00 43.21 O ATOM 0 H ASP A 11 -0.856 14.094 -0.444 1.00 30.33 H new ATOM 0 HA ASP A 11 1.161 12.275 0.419 1.00 25.54 H new ATOM 0 HB2 ASP A 11 -0.807 14.019 1.592 1.00 33.53 H new ATOM 0 HB3 ASP A 11 -0.934 12.436 2.332 1.00 33.53 H new ATOM 153 N ALA A 12 -1.865 11.102 -0.197 1.00 1.31 N ATOM 154 CA ALA A 12 -2.740 9.965 -0.465 1.00 12.03 C ATOM 155 C ALA A 12 -2.241 9.006 -1.560 1.00 45.41 C ATOM 156 O ALA A 12 -2.893 7.994 -1.807 1.00 34.31 O ATOM 157 CB ALA A 12 -4.114 10.526 -0.851 1.00 50.35 C ATOM 0 H ALA A 12 -2.331 11.988 -0.394 1.00 1.31 H new ATOM 0 HA ALA A 12 -2.772 9.359 0.441 1.00 12.03 H new ATOM 0 HB1 ALA A 12 -4.798 9.703 -1.059 1.00 50.35 H new ATOM 0 HB2 ALA A 12 -4.507 11.125 -0.029 1.00 50.35 H new ATOM 0 HB3 ALA A 12 -4.016 11.150 -1.739 1.00 50.35 H new ATOM 163 N ARG A 13 -1.117 9.298 -2.236 1.00 12.12 N ATOM 164 CA ARG A 13 -0.492 8.387 -3.205 1.00 73.34 C ATOM 165 C ARG A 13 -0.089 7.065 -2.564 1.00 64.25 C ATOM 166 O ARG A 13 0.047 6.062 -3.265 1.00 43.13 O ATOM 167 CB ARG A 13 0.773 9.020 -3.800 1.00 21.24 C ATOM 168 CG ARG A 13 0.476 9.987 -4.947 1.00 64.11 C ATOM 169 CD ARG A 13 1.780 10.709 -5.293 1.00 51.35 C ATOM 170 NE ARG A 13 1.722 11.445 -6.564 1.00 64.21 N ATOM 171 CZ ARG A 13 2.752 12.116 -7.090 1.00 21.44 C ATOM 172 NH1 ARG A 13 3.872 12.267 -6.398 1.00 62.23 N ATOM 173 NH2 ARG A 13 2.672 12.645 -8.306 1.00 21.34 N ATOM 0 H ARG A 13 -0.615 10.179 -2.123 1.00 12.12 H new ATOM 0 HA ARG A 13 -1.235 8.203 -3.981 1.00 73.34 H new ATOM 0 HB2 ARG A 13 1.310 9.551 -3.014 1.00 21.24 H new ATOM 0 HB3 ARG A 13 1.433 8.230 -4.160 1.00 21.24 H new ATOM 0 HG2 ARG A 13 0.096 9.447 -5.814 1.00 64.11 H new ATOM 0 HG3 ARG A 13 -0.292 10.703 -4.655 1.00 64.11 H new ATOM 0 HD2 ARG A 13 2.025 11.404 -4.490 1.00 51.35 H new ATOM 0 HD3 ARG A 13 2.588 9.980 -5.341 1.00 51.35 H new ATOM 0 HE ARG A 13 0.840 11.444 -7.077 1.00 64.21 H new ATOM 0 HH11 ARG A 13 3.950 11.871 -5.461 1.00 62.23 H new ATOM 0 HH12 ARG A 13 4.656 12.779 -6.802 1.00 62.23 H new ATOM 0 HH21 ARG A 13 1.816 12.542 -8.852 1.00 21.34 H new ATOM 0 HH22 ARG A 13 3.466 13.154 -8.694 1.00 21.34 H new ATOM 184 N THR A 14 0.218 7.060 -1.278 1.00 70.25 N ATOM 185 CA THR A 14 0.714 5.871 -0.623 1.00 34.21 C ATOM 186 C THR A 14 -0.483 5.033 -0.187 1.00 5.30 C ATOM 187 O THR A 14 -1.508 5.574 0.211 1.00 44.42 O ATOM 188 CB THR A 14 1.636 6.323 0.511 1.00 63.54 C ATOM 189 OG1 THR A 14 2.577 7.247 -0.011 1.00 54.32 O ATOM 190 CG2 THR A 14 2.431 5.184 1.138 1.00 25.22 C ATOM 0 H THR A 14 0.130 7.873 -0.668 1.00 70.25 H new ATOM 0 HA THR A 14 1.308 5.228 -1.272 1.00 34.21 H new ATOM 0 HB THR A 14 0.995 6.754 1.280 1.00 63.54 H new ATOM 0 HG1 THR A 14 3.174 7.547 0.706 1.00 54.32 H new ATOM 0 HG21 THR A 14 3.063 5.577 1.934 1.00 25.22 H new ATOM 0 HG22 THR A 14 1.744 4.445 1.551 1.00 25.22 H new ATOM 0 HG23 THR A 14 3.055 4.714 0.378 1.00 25.22 H new ATOM 198 N VAL A 15 -0.351 3.711 -0.253 1.00 2.33 N ATOM 199 CA VAL A 15 -1.406 2.763 0.073 1.00 74.14 C ATOM 200 C VAL A 15 -0.902 1.852 1.194 1.00 1.31 C ATOM 201 O VAL A 15 0.166 1.240 1.105 1.00 50.43 O ATOM 202 CB VAL A 15 -1.878 2.010 -1.194 1.00 54.34 C ATOM 203 CG1 VAL A 15 -2.811 2.861 -2.069 1.00 4.14 C ATOM 204 CG2 VAL A 15 -0.716 1.559 -2.090 1.00 12.14 C ATOM 0 H VAL A 15 0.517 3.260 -0.543 1.00 2.33 H new ATOM 0 HA VAL A 15 -2.296 3.274 0.441 1.00 74.14 H new ATOM 0 HB VAL A 15 -2.407 1.141 -0.804 1.00 54.34 H new ATOM 0 HG11 VAL A 15 -3.113 2.286 -2.945 1.00 4.14 H new ATOM 0 HG12 VAL A 15 -3.695 3.139 -1.495 1.00 4.14 H new ATOM 0 HG13 VAL A 15 -2.288 3.762 -2.389 1.00 4.14 H new ATOM 0 HG21 VAL A 15 -1.110 1.037 -2.962 1.00 12.14 H new ATOM 0 HG22 VAL A 15 -0.148 2.431 -2.415 1.00 12.14 H new ATOM 0 HG23 VAL A 15 -0.064 0.889 -1.530 1.00 12.14 H new ATOM 214 N PHE A 16 -1.643 1.849 2.302 1.00 54.13 N ATOM 215 CA PHE A 16 -1.416 1.026 3.476 1.00 51.44 C ATOM 216 C PHE A 16 -1.810 -0.421 3.187 1.00 33.32 C ATOM 217 O PHE A 16 -2.908 -0.688 2.695 1.00 71.52 O ATOM 218 CB PHE A 16 -2.253 1.571 4.647 1.00 61.32 C ATOM 219 CG PHE A 16 -2.099 0.850 5.978 1.00 1.42 C ATOM 220 CD1 PHE A 16 -0.859 0.304 6.366 1.00 70.52 C ATOM 221 CD2 PHE A 16 -3.202 0.739 6.848 1.00 21.10 C ATOM 222 CE1 PHE A 16 -0.723 -0.360 7.593 1.00 3.32 C ATOM 223 CE2 PHE A 16 -3.059 0.100 8.092 1.00 25.30 C ATOM 224 CZ PHE A 16 -1.820 -0.456 8.460 1.00 53.44 C ATOM 0 H PHE A 16 -2.458 2.454 2.404 1.00 54.13 H new ATOM 0 HA PHE A 16 -0.358 1.055 3.738 1.00 51.44 H new ATOM 0 HB2 PHE A 16 -1.994 2.620 4.794 1.00 61.32 H new ATOM 0 HB3 PHE A 16 -3.304 1.539 4.360 1.00 61.32 H new ATOM 0 HD1 PHE A 16 -0.005 0.398 5.711 1.00 70.52 H new ATOM 0 HD2 PHE A 16 -4.160 1.146 6.558 1.00 21.10 H new ATOM 0 HE1 PHE A 16 0.225 -0.797 7.870 1.00 3.32 H new ATOM 0 HE2 PHE A 16 -3.901 0.036 8.766 1.00 25.30 H new ATOM 0 HZ PHE A 16 -1.714 -0.957 9.411 1.00 53.44 H new ATOM 233 N CYS A 17 -0.942 -1.356 3.554 1.00 23.41 N ATOM 234 CA CYS A 17 -1.158 -2.790 3.535 1.00 22.33 C ATOM 235 C CYS A 17 -1.050 -3.262 4.989 1.00 21.14 C ATOM 236 O CYS A 17 -0.083 -2.894 5.654 1.00 10.00 O ATOM 237 CB CYS A 17 -0.075 -3.433 2.658 1.00 25.34 C ATOM 238 SG CYS A 17 0.020 -2.649 1.022 1.00 70.23 S ATOM 0 H CYS A 17 -0.011 -1.113 3.893 1.00 23.41 H new ATOM 0 HA CYS A 17 -2.130 -3.065 3.125 1.00 22.33 H new ATOM 0 HB2 CYS A 17 0.891 -3.353 3.156 1.00 25.34 H new ATOM 0 HB3 CYS A 17 -0.286 -4.496 2.540 1.00 25.34 H new ATOM 0 HG CYS A 17 0.950 -3.224 0.319 1.00 70.23 H new ATOM 243 N MET A 18 -2.016 -4.043 5.488 1.00 21.53 N ATOM 244 CA MET A 18 -2.114 -4.465 6.897 1.00 23.10 C ATOM 245 C MET A 18 -2.520 -5.947 6.994 1.00 22.14 C ATOM 246 O MET A 18 -3.277 -6.333 7.885 1.00 31.20 O ATOM 247 CB MET A 18 -3.103 -3.547 7.649 1.00 2.33 C ATOM 248 CG MET A 18 -2.935 -3.615 9.181 1.00 25.13 C ATOM 249 SD MET A 18 -4.005 -2.536 10.174 1.00 1.12 S ATOM 250 CE MET A 18 -5.635 -3.222 9.782 1.00 25.32 C ATOM 0 H MET A 18 -2.772 -4.410 4.911 1.00 21.53 H new ATOM 0 HA MET A 18 -1.137 -4.369 7.371 1.00 23.10 H new ATOM 0 HB2 MET A 18 -2.960 -2.518 7.318 1.00 2.33 H new ATOM 0 HB3 MET A 18 -4.123 -3.828 7.387 1.00 2.33 H new ATOM 0 HG2 MET A 18 -3.106 -4.645 9.496 1.00 25.13 H new ATOM 0 HG3 MET A 18 -1.898 -3.377 9.419 1.00 25.13 H new ATOM 0 HE1 MET A 18 -6.392 -2.736 10.397 1.00 25.32 H new ATOM 0 HE2 MET A 18 -5.858 -3.051 8.729 1.00 25.32 H new ATOM 0 HE3 MET A 18 -5.637 -4.293 9.984 1.00 25.32 H new ATOM 258 N GLN A 19 -2.153 -6.772 6.011 1.00 45.32 N ATOM 259 CA GLN A 19 -2.737 -8.105 5.835 1.00 45.02 C ATOM 260 C GLN A 19 -1.777 -9.062 5.116 1.00 41.15 C ATOM 261 O GLN A 19 -2.209 -10.084 4.577 1.00 11.14 O ATOM 262 CB GLN A 19 -4.060 -7.911 5.071 1.00 1.42 C ATOM 263 CG GLN A 19 -5.152 -8.934 5.413 1.00 74.15 C ATOM 264 CD GLN A 19 -6.483 -8.561 4.760 1.00 73.32 C ATOM 265 OE1 GLN A 19 -7.498 -8.401 5.428 1.00 71.44 O ATOM 266 NE2 GLN A 19 -6.505 -8.369 3.453 1.00 73.22 N ATOM 0 H GLN A 19 -1.445 -6.536 5.316 1.00 45.32 H new ATOM 0 HA GLN A 19 -2.925 -8.575 6.800 1.00 45.02 H new ATOM 0 HB2 GLN A 19 -4.440 -6.911 5.278 1.00 1.42 H new ATOM 0 HB3 GLN A 19 -3.857 -7.960 4.001 1.00 1.42 H new ATOM 0 HG2 GLN A 19 -4.844 -9.924 5.077 1.00 74.15 H new ATOM 0 HG3 GLN A 19 -5.277 -8.989 6.494 1.00 74.15 H new ATOM 0 HE21 GLN A 19 -5.656 -8.504 2.903 1.00 73.22 H new ATOM 0 HE22 GLN A 19 -7.371 -8.086 2.994 1.00 73.22 H new ATOM 273 N LEU A 20 -0.490 -8.698 5.036 1.00 14.34 N ATOM 274 CA LEU A 20 0.469 -9.369 4.165 1.00 42.44 C ATOM 275 C LEU A 20 0.732 -10.797 4.633 1.00 73.42 C ATOM 276 O LEU A 20 0.576 -11.097 5.821 1.00 71.14 O ATOM 277 CB LEU A 20 1.794 -8.584 4.085 1.00 5.00 C ATOM 278 CG LEU A 20 1.643 -7.125 3.615 1.00 41.01 C ATOM 279 CD1 LEU A 20 2.956 -6.347 3.764 1.00 63.41 C ATOM 280 CD2 LEU A 20 1.170 -7.113 2.167 1.00 24.32 C ATOM 0 H LEU A 20 -0.090 -7.930 5.575 1.00 14.34 H new ATOM 0 HA LEU A 20 0.031 -9.408 3.168 1.00 42.44 H new ATOM 0 HB2 LEU A 20 2.265 -8.589 5.068 1.00 5.00 H new ATOM 0 HB3 LEU A 20 2.469 -9.104 3.405 1.00 5.00 H new ATOM 0 HG LEU A 20 0.904 -6.629 4.244 1.00 41.01 H new ATOM 0 HD11 LEU A 20 2.812 -5.322 3.423 1.00 63.41 H new ATOM 0 HD12 LEU A 20 3.259 -6.342 4.811 1.00 63.41 H new ATOM 0 HD13 LEU A 20 3.731 -6.824 3.164 1.00 63.41 H new ATOM 0 HD21 LEU A 20 1.061 -6.083 1.828 1.00 24.32 H new ATOM 0 HD22 LEU A 20 1.901 -7.625 1.541 1.00 24.32 H new ATOM 0 HD23 LEU A 20 0.209 -7.622 2.094 1.00 24.32 H new ATOM 291 N ALA A 21 1.179 -11.656 3.710 1.00 34.33 N ATOM 292 CA ALA A 21 1.550 -13.020 4.052 1.00 72.54 C ATOM 293 C ALA A 21 2.771 -13.014 4.977 1.00 50.43 C ATOM 294 O ALA A 21 3.633 -12.133 4.889 1.00 45.11 O ATOM 295 CB ALA A 21 1.832 -13.866 2.811 1.00 53.25 C ATOM 0 H ALA A 21 1.290 -11.424 2.723 1.00 34.33 H new ATOM 0 HA ALA A 21 0.703 -13.472 4.569 1.00 72.54 H new ATOM 0 HB1 ALA A 21 2.105 -14.877 3.114 1.00 53.25 H new ATOM 0 HB2 ALA A 21 0.940 -13.903 2.186 1.00 53.25 H new ATOM 0 HB3 ALA A 21 2.652 -13.422 2.247 1.00 53.25 H new ATOM 301 N ALA A 22 2.878 -14.051 5.805 1.00 74.43 N ATOM 302 CA ALA A 22 3.854 -14.149 6.879 1.00 2.21 C ATOM 303 C ALA A 22 5.308 -14.039 6.404 1.00 5.23 C ATOM 304 O ALA A 22 6.134 -13.548 7.178 1.00 42.41 O ATOM 305 CB ALA A 22 3.626 -15.456 7.641 1.00 70.31 C ATOM 0 H ALA A 22 2.269 -14.867 5.742 1.00 74.43 H new ATOM 0 HA ALA A 22 3.701 -13.294 7.537 1.00 2.21 H new ATOM 0 HB1 ALA A 22 4.354 -15.538 8.448 1.00 70.31 H new ATOM 0 HB2 ALA A 22 2.619 -15.463 8.058 1.00 70.31 H new ATOM 0 HB3 ALA A 22 3.743 -16.299 6.960 1.00 70.31 H new ATOM 311 N ARG A 23 5.621 -14.447 5.166 1.00 73.44 N ATOM 312 CA ARG A 23 6.931 -14.267 4.533 1.00 14.02 C ATOM 313 C ARG A 23 6.764 -13.467 3.244 1.00 32.44 C ATOM 314 O ARG A 23 7.086 -13.959 2.157 1.00 52.44 O ATOM 315 CB ARG A 23 7.640 -15.611 4.279 1.00 70.53 C ATOM 316 CG ARG A 23 7.994 -16.395 5.551 1.00 72.14 C ATOM 317 CD ARG A 23 9.101 -17.428 5.296 1.00 13.22 C ATOM 318 NE ARG A 23 8.794 -18.301 4.149 1.00 71.55 N ATOM 319 CZ ARG A 23 9.680 -18.975 3.406 1.00 53.03 C ATOM 320 NH1 ARG A 23 10.941 -19.152 3.791 1.00 12.22 N ATOM 321 NH2 ARG A 23 9.291 -19.469 2.242 1.00 23.40 N ATOM 0 H ARG A 23 4.951 -14.924 4.563 1.00 73.44 H new ATOM 0 HA ARG A 23 7.573 -13.710 5.216 1.00 14.02 H new ATOM 0 HB2 ARG A 23 7.001 -16.232 3.651 1.00 70.53 H new ATOM 0 HB3 ARG A 23 8.555 -15.424 3.716 1.00 70.53 H new ATOM 0 HG2 ARG A 23 8.316 -15.701 6.327 1.00 72.14 H new ATOM 0 HG3 ARG A 23 7.104 -16.901 5.925 1.00 72.14 H new ATOM 0 HD2 ARG A 23 10.043 -16.911 5.115 1.00 13.22 H new ATOM 0 HD3 ARG A 23 9.239 -18.038 6.188 1.00 13.22 H new ATOM 0 HE ARG A 23 7.811 -18.401 3.897 1.00 71.55 H new ATOM 0 HH11 ARG A 23 11.262 -18.768 4.680 1.00 12.22 H new ATOM 0 HH12 ARG A 23 11.587 -19.672 3.197 1.00 12.22 H new ATOM 0 HH21 ARG A 23 8.331 -19.333 1.926 1.00 23.40 H new ATOM 0 HH22 ARG A 23 9.951 -19.986 1.661 1.00 23.40 H new ATOM 332 N ILE A 24 6.221 -12.252 3.314 1.00 42.11 N ATOM 333 CA ILE A 24 6.175 -11.363 2.159 1.00 23.12 C ATOM 334 C ILE A 24 7.607 -11.102 1.659 1.00 11.13 C ATOM 335 O ILE A 24 8.588 -11.337 2.373 1.00 22.21 O ATOM 336 CB ILE A 24 5.362 -10.092 2.509 1.00 41.13 C ATOM 337 CG1 ILE A 24 5.021 -9.208 1.288 1.00 22.40 C ATOM 338 CG2 ILE A 24 6.043 -9.232 3.586 1.00 5.13 C ATOM 339 CD1 ILE A 24 4.138 -9.913 0.265 1.00 14.43 C ATOM 0 H ILE A 24 5.807 -11.863 4.161 1.00 42.11 H new ATOM 0 HA ILE A 24 5.648 -11.822 1.323 1.00 23.12 H new ATOM 0 HB ILE A 24 4.424 -10.482 2.905 1.00 41.13 H new ATOM 0 HG12 ILE A 24 4.518 -8.304 1.631 1.00 22.40 H new ATOM 0 HG13 ILE A 24 5.946 -8.894 0.805 1.00 22.40 H new ATOM 0 HG21 ILE A 24 5.430 -8.355 3.792 1.00 5.13 H new ATOM 0 HG22 ILE A 24 6.159 -9.816 4.499 1.00 5.13 H new ATOM 0 HG23 ILE A 24 7.024 -8.914 3.232 1.00 5.13 H new ATOM 0 HD11 ILE A 24 3.935 -9.239 -0.567 1.00 14.43 H new ATOM 0 HD12 ILE A 24 4.648 -10.802 -0.105 1.00 14.43 H new ATOM 0 HD13 ILE A 24 3.198 -10.203 0.734 1.00 14.43 H new ATOM 350 N ARG A 25 7.740 -10.638 0.420 1.00 21.23 N ATOM 351 CA ARG A 25 9.000 -10.234 -0.208 1.00 10.20 C ATOM 352 C ARG A 25 8.882 -8.760 -0.606 1.00 51.31 C ATOM 353 O ARG A 25 7.763 -8.297 -0.819 1.00 30.43 O ATOM 354 CB ARG A 25 9.260 -11.105 -1.454 1.00 61.43 C ATOM 355 CG ARG A 25 10.209 -12.282 -1.205 1.00 62.53 C ATOM 356 CD ARG A 25 10.456 -13.063 -2.506 1.00 14.12 C ATOM 357 NE ARG A 25 11.877 -13.391 -2.707 1.00 31.21 N ATOM 358 CZ ARG A 25 12.375 -14.110 -3.721 1.00 44.13 C ATOM 359 NH1 ARG A 25 11.583 -14.763 -4.566 1.00 24.21 N ATOM 360 NH2 ARG A 25 13.692 -14.167 -3.873 1.00 12.03 N ATOM 0 H ARG A 25 6.940 -10.527 -0.203 1.00 21.23 H new ATOM 0 HA ARG A 25 9.832 -10.366 0.484 1.00 10.20 H new ATOM 0 HB2 ARG A 25 8.308 -11.490 -1.820 1.00 61.43 H new ATOM 0 HB3 ARG A 25 9.675 -10.478 -2.243 1.00 61.43 H new ATOM 0 HG2 ARG A 25 11.156 -11.915 -0.809 1.00 62.53 H new ATOM 0 HG3 ARG A 25 9.784 -12.945 -0.451 1.00 62.53 H new ATOM 0 HD2 ARG A 25 9.873 -13.984 -2.489 1.00 14.12 H new ATOM 0 HD3 ARG A 25 10.099 -12.475 -3.352 1.00 14.12 H new ATOM 0 HE ARG A 25 12.539 -13.041 -2.015 1.00 31.21 H new ATOM 0 HH11 ARG A 25 10.570 -14.723 -4.450 1.00 24.21 H new ATOM 0 HH12 ARG A 25 11.988 -15.304 -5.330 1.00 24.21 H new ATOM 0 HH21 ARG A 25 14.302 -13.669 -3.225 1.00 12.03 H new ATOM 0 HH22 ARG A 25 14.094 -14.709 -4.638 1.00 12.03 H new ATOM 371 N PRO A 26 9.997 -8.038 -0.788 1.00 50.31 N ATOM 372 CA PRO A 26 9.943 -6.640 -1.190 1.00 72.22 C ATOM 373 C PRO A 26 9.436 -6.493 -2.631 1.00 62.15 C ATOM 374 O PRO A 26 8.766 -5.508 -2.934 1.00 14.43 O ATOM 375 CB PRO A 26 11.371 -6.117 -0.988 1.00 4.13 C ATOM 376 CG PRO A 26 12.244 -7.355 -1.171 1.00 32.53 C ATOM 377 CD PRO A 26 11.372 -8.476 -0.603 1.00 43.12 C ATOM 0 HA PRO A 26 9.235 -6.058 -0.600 1.00 72.22 H new ATOM 0 HB2 PRO A 26 11.619 -5.342 -1.713 1.00 4.13 H new ATOM 0 HB3 PRO A 26 11.500 -5.680 0.002 1.00 4.13 H new ATOM 0 HG2 PRO A 26 12.488 -7.525 -2.219 1.00 32.53 H new ATOM 0 HG3 PRO A 26 13.188 -7.266 -0.634 1.00 32.53 H new ATOM 0 HD2 PRO A 26 11.556 -9.417 -1.122 1.00 43.12 H new ATOM 0 HD3 PRO A 26 11.590 -8.646 0.451 1.00 43.12 H new ATOM 382 N ARG A 27 9.729 -7.459 -3.518 1.00 64.23 N ATOM 383 CA ARG A 27 9.257 -7.445 -4.905 1.00 32.13 C ATOM 384 C ARG A 27 7.755 -7.708 -4.983 1.00 53.05 C ATOM 385 O ARG A 27 7.075 -7.085 -5.787 1.00 64.45 O ATOM 386 CB ARG A 27 10.033 -8.477 -5.741 1.00 21.50 C ATOM 387 CG ARG A 27 10.094 -8.130 -7.237 1.00 33.11 C ATOM 388 CD ARG A 27 11.061 -9.034 -8.024 1.00 43.03 C ATOM 389 NE ARG A 27 12.458 -8.857 -7.591 1.00 44.42 N ATOM 390 CZ ARG A 27 13.566 -8.861 -8.340 1.00 74.55 C ATOM 391 NH1 ARG A 27 13.535 -8.995 -9.661 1.00 50.44 N ATOM 392 NH2 ARG A 27 14.736 -8.735 -7.727 1.00 74.32 N ATOM 0 H ARG A 27 10.301 -8.272 -3.289 1.00 64.23 H new ATOM 0 HA ARG A 27 9.440 -6.452 -5.315 1.00 32.13 H new ATOM 0 HB2 ARG A 27 11.048 -8.558 -5.353 1.00 21.50 H new ATOM 0 HB3 ARG A 27 9.567 -9.455 -5.621 1.00 21.50 H new ATOM 0 HG2 ARG A 27 9.095 -8.215 -7.665 1.00 33.11 H new ATOM 0 HG3 ARG A 27 10.402 -7.091 -7.351 1.00 33.11 H new ATOM 0 HD2 ARG A 27 10.770 -10.076 -7.893 1.00 43.03 H new ATOM 0 HD3 ARG A 27 10.980 -8.812 -9.088 1.00 43.03 H new ATOM 0 HE ARG A 27 12.598 -8.713 -6.591 1.00 44.42 H new ATOM 0 HH11 ARG A 27 12.642 -9.100 -10.142 1.00 50.44 H new ATOM 0 HH12 ARG A 27 14.404 -8.993 -10.194 1.00 50.44 H new ATOM 0 HH21 ARG A 27 14.772 -8.639 -6.712 1.00 74.32 H new ATOM 0 HH22 ARG A 27 15.599 -8.734 -8.271 1.00 74.32 H new ATOM 403 N ASP A 28 7.237 -8.600 -4.135 1.00 44.25 N ATOM 404 CA ASP A 28 5.850 -9.077 -4.185 1.00 71.32 C ATOM 405 C ASP A 28 4.876 -7.908 -4.141 1.00 25.34 C ATOM 406 O ASP A 28 3.853 -7.909 -4.827 1.00 11.40 O ATOM 407 CB ASP A 28 5.549 -10.002 -2.989 1.00 31.50 C ATOM 408 CG ASP A 28 5.887 -11.466 -3.251 1.00 31.23 C ATOM 409 OD1 ASP A 28 6.963 -11.746 -3.820 1.00 31.20 O ATOM 410 OD2 ASP A 28 5.087 -12.328 -2.807 1.00 13.32 O ATOM 0 H ASP A 28 7.779 -9.020 -3.380 1.00 44.25 H new ATOM 0 HA ASP A 28 5.728 -9.626 -5.119 1.00 71.32 H new ATOM 0 HB2 ASP A 28 6.113 -9.657 -2.122 1.00 31.50 H new ATOM 0 HB3 ASP A 28 4.492 -9.921 -2.735 1.00 31.50 H new ATOM 414 N LEU A 29 5.197 -6.923 -3.303 1.00 44.01 N ATOM 415 CA LEU A 29 4.365 -5.769 -3.030 1.00 74.44 C ATOM 416 C LEU A 29 4.292 -4.859 -4.237 1.00 45.21 C ATOM 417 O LEU A 29 3.194 -4.427 -4.588 1.00 61.52 O ATOM 418 CB LEU A 29 4.937 -4.992 -1.838 1.00 32.40 C ATOM 419 CG LEU A 29 4.883 -5.782 -0.524 1.00 64.14 C ATOM 420 CD1 LEU A 29 5.553 -4.993 0.598 1.00 24.42 C ATOM 421 CD2 LEU A 29 3.445 -6.087 -0.120 1.00 21.22 C ATOM 0 H LEU A 29 6.074 -6.913 -2.782 1.00 44.01 H new ATOM 0 HA LEU A 29 3.359 -6.117 -2.796 1.00 74.44 H new ATOM 0 HB2 LEU A 29 5.971 -4.722 -2.050 1.00 32.40 H new ATOM 0 HB3 LEU A 29 4.383 -4.061 -1.719 1.00 32.40 H new ATOM 0 HG LEU A 29 5.413 -6.721 -0.686 1.00 64.14 H new ATOM 0 HD11 LEU A 29 5.507 -5.566 1.524 1.00 24.42 H new ATOM 0 HD12 LEU A 29 6.595 -4.806 0.339 1.00 24.42 H new ATOM 0 HD13 LEU A 29 5.036 -4.043 0.733 1.00 24.42 H new ATOM 0 HD21 LEU A 29 3.441 -6.648 0.815 1.00 21.22 H new ATOM 0 HD22 LEU A 29 2.899 -5.153 0.014 1.00 21.22 H new ATOM 0 HD23 LEU A 29 2.966 -6.679 -0.900 1.00 21.22 H new ATOM 432 N GLU A 30 5.439 -4.535 -4.841 1.00 31.33 N ATOM 433 CA GLU A 30 5.447 -3.664 -5.996 1.00 12.32 C ATOM 434 C GLU A 30 4.818 -4.385 -7.187 1.00 44.15 C ATOM 435 O GLU A 30 4.047 -3.761 -7.908 1.00 65.11 O ATOM 436 CB GLU A 30 6.840 -3.076 -6.273 1.00 53.13 C ATOM 437 CG GLU A 30 7.969 -4.105 -6.382 1.00 51.14 C ATOM 438 CD GLU A 30 9.294 -3.492 -6.850 1.00 10.01 C ATOM 439 OE1 GLU A 30 9.368 -2.938 -7.972 1.00 4.44 O ATOM 440 OE2 GLU A 30 10.288 -3.549 -6.091 1.00 21.40 O ATOM 0 H GLU A 30 6.358 -4.864 -4.546 1.00 31.33 H new ATOM 0 HA GLU A 30 4.829 -2.790 -5.792 1.00 12.32 H new ATOM 0 HB2 GLU A 30 6.799 -2.505 -7.201 1.00 53.13 H new ATOM 0 HB3 GLU A 30 7.086 -2.373 -5.477 1.00 53.13 H new ATOM 0 HG2 GLU A 30 8.117 -4.579 -5.411 1.00 51.14 H new ATOM 0 HG3 GLU A 30 7.672 -4.890 -7.078 1.00 51.14 H new ATOM 445 N GLU A 31 5.053 -5.689 -7.354 1.00 72.15 N ATOM 446 CA GLU A 31 4.529 -6.460 -8.477 1.00 53.13 C ATOM 447 C GLU A 31 3.012 -6.599 -8.423 1.00 33.53 C ATOM 448 O GLU A 31 2.380 -6.768 -9.466 1.00 23.31 O ATOM 449 CB GLU A 31 5.161 -7.858 -8.501 1.00 53.42 C ATOM 450 CG GLU A 31 6.635 -7.868 -8.917 1.00 50.14 C ATOM 451 CD GLU A 31 6.850 -7.668 -10.420 1.00 32.30 C ATOM 452 OE1 GLU A 31 6.265 -6.741 -11.021 1.00 10.33 O ATOM 453 OE2 GLU A 31 7.683 -8.392 -11.019 1.00 10.14 O ATOM 0 H GLU A 31 5.617 -6.241 -6.707 1.00 72.15 H new ATOM 0 HA GLU A 31 4.787 -5.915 -9.385 1.00 53.13 H new ATOM 0 HB2 GLU A 31 5.071 -8.303 -7.510 1.00 53.42 H new ATOM 0 HB3 GLU A 31 4.596 -8.489 -9.187 1.00 53.42 H new ATOM 0 HG2 GLU A 31 7.162 -7.082 -8.376 1.00 50.14 H new ATOM 0 HG3 GLU A 31 7.082 -8.816 -8.618 1.00 50.14 H new ATOM 458 N PHE A 32 2.402 -6.525 -7.237 1.00 21.42 N ATOM 459 CA PHE A 32 0.944 -6.567 -7.119 1.00 43.03 C ATOM 460 C PHE A 32 0.320 -5.367 -7.835 1.00 23.20 C ATOM 461 O PHE A 32 -0.729 -5.488 -8.469 1.00 23.12 O ATOM 462 CB PHE A 32 0.515 -6.603 -5.648 1.00 70.41 C ATOM 463 CG PHE A 32 -0.982 -6.765 -5.419 1.00 25.44 C ATOM 464 CD1 PHE A 32 -1.794 -7.441 -6.353 1.00 41.33 C ATOM 465 CD2 PHE A 32 -1.576 -6.250 -4.251 1.00 52.23 C ATOM 466 CE1 PHE A 32 -3.172 -7.566 -6.159 1.00 4.12 C ATOM 467 CE2 PHE A 32 -2.958 -6.394 -4.043 1.00 72.13 C ATOM 468 CZ PHE A 32 -3.759 -7.039 -5.000 1.00 11.30 C ATOM 0 H PHE A 32 2.894 -6.436 -6.348 1.00 21.42 H new ATOM 0 HA PHE A 32 0.587 -7.480 -7.595 1.00 43.03 H new ATOM 0 HB2 PHE A 32 1.034 -7.424 -5.154 1.00 70.41 H new ATOM 0 HB3 PHE A 32 0.844 -5.682 -5.166 1.00 70.41 H new ATOM 0 HD1 PHE A 32 -1.342 -7.870 -7.235 1.00 41.33 H new ATOM 0 HD2 PHE A 32 -0.969 -5.744 -3.515 1.00 52.23 H new ATOM 0 HE1 PHE A 32 -3.781 -8.066 -6.898 1.00 4.12 H new ATOM 0 HE2 PHE A 32 -3.408 -6.006 -3.141 1.00 72.13 H new ATOM 0 HZ PHE A 32 -4.824 -7.129 -4.843 1.00 11.30 H new ATOM 477 N PHE A 33 0.985 -4.216 -7.761 1.00 52.04 N ATOM 478 CA PHE A 33 0.468 -2.972 -8.286 1.00 43.44 C ATOM 479 C PHE A 33 1.052 -2.630 -9.648 1.00 44.25 C ATOM 480 O PHE A 33 0.342 -2.048 -10.459 1.00 71.24 O ATOM 481 CB PHE A 33 0.786 -1.856 -7.299 1.00 65.55 C ATOM 482 CG PHE A 33 0.031 -1.891 -5.978 1.00 32.51 C ATOM 483 CD1 PHE A 33 -1.353 -2.176 -5.917 1.00 41.12 C ATOM 484 CD2 PHE A 33 0.708 -1.556 -4.791 1.00 52.04 C ATOM 485 CE1 PHE A 33 -2.038 -2.129 -4.695 1.00 30.24 C ATOM 486 CE2 PHE A 33 0.019 -1.511 -3.572 1.00 70.31 C ATOM 487 CZ PHE A 33 -1.356 -1.777 -3.524 1.00 22.51 C ATOM 0 H PHE A 33 1.905 -4.129 -7.330 1.00 52.04 H new ATOM 0 HA PHE A 33 -0.609 -3.082 -8.417 1.00 43.44 H new ATOM 0 HB2 PHE A 33 1.854 -1.883 -7.084 1.00 65.55 H new ATOM 0 HB3 PHE A 33 0.583 -0.901 -7.784 1.00 65.55 H new ATOM 0 HD1 PHE A 33 -1.887 -2.432 -6.820 1.00 41.12 H new ATOM 0 HD2 PHE A 33 1.764 -1.332 -4.820 1.00 52.04 H new ATOM 0 HE1 PHE A 33 -3.091 -2.364 -4.657 1.00 30.24 H new ATOM 0 HE2 PHE A 33 0.551 -1.270 -2.664 1.00 70.31 H new ATOM 0 HZ PHE A 33 -1.888 -1.711 -2.586 1.00 22.51 H new ATOM 496 N SER A 34 2.310 -2.965 -9.932 1.00 14.30 N ATOM 497 CA SER A 34 2.968 -2.584 -11.176 1.00 11.11 C ATOM 498 C SER A 34 2.320 -3.266 -12.386 1.00 42.14 C ATOM 499 O SER A 34 2.482 -2.809 -13.515 1.00 10.02 O ATOM 500 CB SER A 34 4.466 -2.892 -11.092 1.00 44.25 C ATOM 501 OG SER A 34 5.188 -2.051 -11.973 1.00 62.33 O ATOM 0 H SER A 34 2.901 -3.509 -9.303 1.00 14.30 H new ATOM 0 HA SER A 34 2.845 -1.510 -11.316 1.00 11.11 H new ATOM 0 HB2 SER A 34 4.818 -2.748 -10.070 1.00 44.25 H new ATOM 0 HB3 SER A 34 4.645 -3.937 -11.346 1.00 44.25 H new ATOM 0 HG SER A 34 6.144 -2.255 -11.910 1.00 62.33 H new ATOM 506 N THR A 35 1.539 -4.326 -12.174 1.00 53.41 N ATOM 507 CA THR A 35 0.826 -4.980 -13.263 1.00 54.22 C ATOM 508 C THR A 35 -0.476 -4.240 -13.636 1.00 71.44 C ATOM 509 O THR A 35 -1.151 -4.670 -14.570 1.00 74.13 O ATOM 510 CB THR A 35 0.669 -6.474 -12.924 1.00 62.15 C ATOM 511 OG1 THR A 35 0.381 -7.226 -14.083 1.00 42.02 O ATOM 512 CG2 THR A 35 -0.367 -6.768 -11.841 1.00 51.41 C ATOM 0 H THR A 35 1.387 -4.747 -11.258 1.00 53.41 H new ATOM 0 HA THR A 35 1.405 -4.927 -14.185 1.00 54.22 H new ATOM 0 HB THR A 35 1.633 -6.776 -12.514 1.00 62.15 H new ATOM 0 HG1 THR A 35 -0.208 -6.709 -14.671 1.00 42.02 H new ATOM 0 HG21 THR A 35 -0.414 -7.843 -11.664 1.00 51.41 H new ATOM 0 HG22 THR A 35 -0.084 -6.261 -10.919 1.00 51.41 H new ATOM 0 HG23 THR A 35 -1.344 -6.411 -12.166 1.00 51.41 H new ATOM 520 N VAL A 36 -0.835 -3.162 -12.921 1.00 10.11 N ATOM 521 CA VAL A 36 -1.982 -2.290 -13.188 1.00 34.42 C ATOM 522 C VAL A 36 -1.650 -0.812 -12.890 1.00 42.43 C ATOM 523 O VAL A 36 -2.559 0.010 -12.742 1.00 52.03 O ATOM 524 CB VAL A 36 -3.219 -2.757 -12.380 1.00 21.42 C ATOM 525 CG1 VAL A 36 -3.762 -4.110 -12.858 1.00 52.43 C ATOM 526 CG2 VAL A 36 -2.982 -2.821 -10.860 1.00 32.14 C ATOM 0 H VAL A 36 -0.305 -2.863 -12.102 1.00 10.11 H new ATOM 0 HA VAL A 36 -2.218 -2.362 -14.250 1.00 34.42 H new ATOM 0 HB VAL A 36 -3.963 -1.984 -12.572 1.00 21.42 H new ATOM 0 HG11 VAL A 36 -4.628 -4.388 -12.257 1.00 52.43 H new ATOM 0 HG12 VAL A 36 -4.056 -4.035 -13.905 1.00 52.43 H new ATOM 0 HG13 VAL A 36 -2.988 -4.870 -12.753 1.00 52.43 H new ATOM 0 HG21 VAL A 36 -3.893 -3.156 -10.364 1.00 32.14 H new ATOM 0 HG22 VAL A 36 -2.174 -3.521 -10.647 1.00 32.14 H new ATOM 0 HG23 VAL A 36 -2.711 -1.831 -10.492 1.00 32.14 H new ATOM 536 N GLY A 37 -0.374 -0.448 -12.746 1.00 61.15 N ATOM 537 CA GLY A 37 0.049 0.789 -12.102 1.00 2.34 C ATOM 538 C GLY A 37 1.576 0.841 -12.079 1.00 61.54 C ATOM 539 O GLY A 37 2.213 0.229 -12.934 1.00 50.14 O ATOM 0 H GLY A 37 0.404 -1.016 -13.080 1.00 61.15 H new ATOM 0 HA2 GLY A 37 -0.349 1.649 -12.641 1.00 2.34 H new ATOM 0 HA3 GLY A 37 -0.345 0.839 -11.087 1.00 2.34 H new ATOM 543 N LYS A 38 2.184 1.585 -11.144 1.00 44.23 N ATOM 544 CA LYS A 38 3.636 1.609 -10.923 1.00 51.15 C ATOM 545 C LYS A 38 3.914 2.089 -9.503 1.00 43.41 C ATOM 546 O LYS A 38 3.193 2.954 -9.002 1.00 25.23 O ATOM 547 CB LYS A 38 4.291 2.576 -11.918 1.00 30.53 C ATOM 548 CG LYS A 38 5.816 2.605 -11.925 1.00 3.34 C ATOM 549 CD LYS A 38 6.239 3.436 -13.146 1.00 65.11 C ATOM 550 CE LYS A 38 7.658 3.999 -13.088 1.00 34.51 C ATOM 551 NZ LYS A 38 8.692 3.007 -13.446 1.00 53.03 N ATOM 0 H LYS A 38 1.671 2.197 -10.510 1.00 44.23 H new ATOM 0 HA LYS A 38 4.044 0.609 -11.066 1.00 51.15 H new ATOM 0 HB2 LYS A 38 3.949 2.320 -12.921 1.00 30.53 H new ATOM 0 HB3 LYS A 38 3.930 3.582 -11.706 1.00 30.53 H new ATOM 0 HG2 LYS A 38 6.198 3.047 -11.005 1.00 3.34 H new ATOM 0 HG3 LYS A 38 6.222 1.595 -11.986 1.00 3.34 H new ATOM 0 HD2 LYS A 38 6.147 2.816 -14.037 1.00 65.11 H new ATOM 0 HD3 LYS A 38 5.541 4.265 -13.261 1.00 65.11 H new ATOM 0 HE2 LYS A 38 7.732 4.851 -13.764 1.00 34.51 H new ATOM 0 HE3 LYS A 38 7.854 4.371 -12.082 1.00 34.51 H new ATOM 0 HZ1 LYS A 38 9.632 3.449 -13.388 1.00 53.03 H new ATOM 0 HZ2 LYS A 38 8.646 2.204 -12.787 1.00 53.03 H new ATOM 0 HZ3 LYS A 38 8.528 2.669 -14.416 1.00 53.03 H new ATOM 561 N VAL A 39 4.983 1.597 -8.889 1.00 45.14 N ATOM 562 CA VAL A 39 5.319 1.846 -7.495 1.00 42.33 C ATOM 563 C VAL A 39 6.583 2.698 -7.406 1.00 52.34 C ATOM 564 O VAL A 39 7.643 2.341 -7.925 1.00 65.53 O ATOM 565 CB VAL A 39 5.426 0.495 -6.771 1.00 41.24 C ATOM 566 CG1 VAL A 39 6.006 0.668 -5.369 1.00 65.31 C ATOM 567 CG2 VAL A 39 4.028 -0.141 -6.700 1.00 10.20 C ATOM 0 H VAL A 39 5.659 0.997 -9.362 1.00 45.14 H new ATOM 0 HA VAL A 39 4.540 2.421 -6.995 1.00 42.33 H new ATOM 0 HB VAL A 39 6.101 -0.157 -7.326 1.00 41.24 H new ATOM 0 HG11 VAL A 39 6.071 -0.304 -4.879 1.00 65.31 H new ATOM 0 HG12 VAL A 39 7.002 1.106 -5.439 1.00 65.31 H new ATOM 0 HG13 VAL A 39 5.360 1.325 -4.787 1.00 65.31 H new ATOM 0 HG21 VAL A 39 4.091 -1.101 -6.188 1.00 10.20 H new ATOM 0 HG22 VAL A 39 3.355 0.519 -6.152 1.00 10.20 H new ATOM 0 HG23 VAL A 39 3.645 -0.292 -7.709 1.00 10.20 H new ATOM 577 N ARG A 40 6.471 3.842 -6.736 1.00 30.53 N ATOM 578 CA ARG A 40 7.551 4.794 -6.533 1.00 14.40 C ATOM 579 C ARG A 40 8.514 4.289 -5.465 1.00 2.31 C ATOM 580 O ARG A 40 9.726 4.393 -5.665 1.00 54.02 O ATOM 581 CB ARG A 40 6.927 6.137 -6.128 1.00 70.14 C ATOM 582 CG ARG A 40 7.942 7.273 -5.990 1.00 73.55 C ATOM 583 CD ARG A 40 8.579 7.646 -7.330 1.00 32.14 C ATOM 584 NE ARG A 40 9.177 8.986 -7.270 1.00 2.01 N ATOM 585 CZ ARG A 40 10.322 9.385 -7.829 1.00 22.12 C ATOM 586 NH1 ARG A 40 11.246 8.511 -8.223 1.00 73.53 N ATOM 587 NH2 ARG A 40 10.527 10.683 -7.993 1.00 71.15 N ATOM 0 H ARG A 40 5.595 4.138 -6.306 1.00 30.53 H new ATOM 0 HA ARG A 40 8.126 4.918 -7.450 1.00 14.40 H new ATOM 0 HB2 ARG A 40 6.180 6.418 -6.870 1.00 70.14 H new ATOM 0 HB3 ARG A 40 6.404 6.013 -5.180 1.00 70.14 H new ATOM 0 HG2 ARG A 40 7.449 8.149 -5.568 1.00 73.55 H new ATOM 0 HG3 ARG A 40 8.722 6.977 -5.289 1.00 73.55 H new ATOM 0 HD2 ARG A 40 9.343 6.914 -7.591 1.00 32.14 H new ATOM 0 HD3 ARG A 40 7.825 7.614 -8.117 1.00 32.14 H new ATOM 0 HE ARG A 40 8.660 9.690 -6.743 1.00 2.01 H new ATOM 0 HH11 ARG A 40 11.087 7.511 -8.100 1.00 73.53 H new ATOM 0 HH12 ARG A 40 12.113 8.842 -8.647 1.00 73.53 H new ATOM 0 HH21 ARG A 40 9.818 11.353 -7.695 1.00 71.15 H new ATOM 0 HH22 ARG A 40 11.394 11.013 -8.418 1.00 71.15 H new ATOM 598 N ASP A 41 8.002 3.794 -4.339 1.00 70.55 N ATOM 599 CA ASP A 41 8.795 3.216 -3.253 1.00 13.42 C ATOM 600 C ASP A 41 7.901 2.291 -2.430 1.00 52.14 C ATOM 601 O ASP A 41 6.680 2.366 -2.548 1.00 41.01 O ATOM 602 CB ASP A 41 9.383 4.322 -2.360 1.00 13.43 C ATOM 603 CG ASP A 41 10.314 3.772 -1.273 1.00 73.24 C ATOM 604 OD1 ASP A 41 11.047 2.780 -1.525 1.00 5.33 O ATOM 605 OD2 ASP A 41 10.384 4.380 -0.180 1.00 44.22 O ATOM 0 H ASP A 41 6.999 3.783 -4.151 1.00 70.55 H new ATOM 0 HA ASP A 41 9.626 2.649 -3.674 1.00 13.42 H new ATOM 0 HB2 ASP A 41 9.933 5.030 -2.980 1.00 13.43 H new ATOM 0 HB3 ASP A 41 8.570 4.875 -1.890 1.00 13.43 H new ATOM 609 N VAL A 42 8.493 1.421 -1.612 1.00 44.33 N ATOM 610 CA VAL A 42 7.802 0.450 -0.781 1.00 30.30 C ATOM 611 C VAL A 42 8.563 0.362 0.545 1.00 61.43 C ATOM 612 O VAL A 42 9.785 0.161 0.569 1.00 43.42 O ATOM 613 CB VAL A 42 7.641 -0.884 -1.551 1.00 53.24 C ATOM 614 CG1 VAL A 42 8.901 -1.396 -2.269 1.00 54.31 C ATOM 615 CG2 VAL A 42 7.105 -2.012 -0.663 1.00 63.53 C ATOM 0 H VAL A 42 9.507 1.376 -1.510 1.00 44.33 H new ATOM 0 HA VAL A 42 6.780 0.745 -0.542 1.00 30.30 H new ATOM 0 HB VAL A 42 6.916 -0.622 -2.322 1.00 53.24 H new ATOM 0 HG11 VAL A 42 8.675 -2.335 -2.775 1.00 54.31 H new ATOM 0 HG12 VAL A 42 9.227 -0.658 -3.002 1.00 54.31 H new ATOM 0 HG13 VAL A 42 9.695 -1.559 -1.540 1.00 54.31 H new ATOM 0 HG21 VAL A 42 7.011 -2.925 -1.251 1.00 63.53 H new ATOM 0 HG22 VAL A 42 7.794 -2.183 0.164 1.00 63.53 H new ATOM 0 HG23 VAL A 42 6.128 -1.732 -0.269 1.00 63.53 H new ATOM 625 N ARG A 43 7.857 0.546 1.667 1.00 34.32 N ATOM 626 CA ARG A 43 8.462 0.614 2.993 1.00 10.31 C ATOM 627 C ARG A 43 7.672 -0.284 3.937 1.00 42.35 C ATOM 628 O ARG A 43 6.533 0.020 4.294 1.00 12.03 O ATOM 629 CB ARG A 43 8.564 2.088 3.430 1.00 54.13 C ATOM 630 CG ARG A 43 9.749 2.324 4.389 1.00 44.23 C ATOM 631 CD ARG A 43 10.438 3.680 4.168 1.00 41.22 C ATOM 632 NE ARG A 43 11.023 3.799 2.815 1.00 61.51 N ATOM 633 CZ ARG A 43 12.283 3.537 2.449 1.00 5.20 C ATOM 634 NH1 ARG A 43 13.225 3.269 3.348 1.00 2.41 N ATOM 635 NH2 ARG A 43 12.589 3.530 1.162 1.00 51.45 N ATOM 0 H ARG A 43 6.843 0.652 1.675 1.00 34.32 H new ATOM 0 HA ARG A 43 9.484 0.236 3.000 1.00 10.31 H new ATOM 0 HB2 ARG A 43 8.678 2.720 2.550 1.00 54.13 H new ATOM 0 HB3 ARG A 43 7.637 2.387 3.919 1.00 54.13 H new ATOM 0 HG2 ARG A 43 9.394 2.266 5.418 1.00 44.23 H new ATOM 0 HG3 ARG A 43 10.480 1.526 4.259 1.00 44.23 H new ATOM 0 HD2 ARG A 43 9.715 4.481 4.320 1.00 41.22 H new ATOM 0 HD3 ARG A 43 11.222 3.812 4.913 1.00 41.22 H new ATOM 0 HE ARG A 43 10.395 4.117 2.077 1.00 61.51 H new ATOM 0 HH11 ARG A 43 12.994 3.260 4.341 1.00 2.41 H new ATOM 0 HH12 ARG A 43 14.179 3.072 3.044 1.00 2.41 H new ATOM 0 HH21 ARG A 43 11.869 3.723 0.466 1.00 51.45 H new ATOM 0 HH22 ARG A 43 13.545 3.332 0.866 1.00 51.45 H new ATOM 646 N MET A 44 8.246 -1.447 4.240 1.00 73.34 N ATOM 647 CA MET A 44 7.644 -2.466 5.085 1.00 74.22 C ATOM 648 C MET A 44 8.180 -2.295 6.492 1.00 62.11 C ATOM 649 O MET A 44 9.390 -2.157 6.684 1.00 23.41 O ATOM 650 CB MET A 44 8.007 -3.875 4.600 1.00 22.54 C ATOM 651 CG MET A 44 7.582 -4.164 3.159 1.00 44.33 C ATOM 652 SD MET A 44 8.940 -4.622 2.049 1.00 70.54 S ATOM 653 CE MET A 44 9.918 -3.097 2.079 1.00 71.34 C ATOM 0 H MET A 44 9.168 -1.710 3.893 1.00 73.34 H new ATOM 0 HA MET A 44 6.560 -2.353 5.051 1.00 74.22 H new ATOM 0 HB2 MET A 44 9.085 -4.011 4.685 1.00 22.54 H new ATOM 0 HB3 MET A 44 7.541 -4.607 5.260 1.00 22.54 H new ATOM 0 HG2 MET A 44 6.848 -4.970 3.165 1.00 44.33 H new ATOM 0 HG3 MET A 44 7.084 -3.282 2.757 1.00 44.33 H new ATOM 0 HE1 MET A 44 10.645 -3.115 1.267 1.00 71.34 H new ATOM 0 HE2 MET A 44 9.258 -2.239 1.955 1.00 71.34 H new ATOM 0 HE3 MET A 44 10.440 -3.018 3.032 1.00 71.34 H new ATOM 661 N ILE A 45 7.302 -2.400 7.480 1.00 63.24 N ATOM 662 CA ILE A 45 7.687 -2.411 8.882 1.00 41.15 C ATOM 663 C ILE A 45 7.878 -3.881 9.252 1.00 41.03 C ATOM 664 O ILE A 45 6.971 -4.518 9.796 1.00 70.55 O ATOM 665 CB ILE A 45 6.667 -1.652 9.763 1.00 42.11 C ATOM 666 CG1 ILE A 45 6.412 -0.207 9.271 1.00 14.34 C ATOM 667 CG2 ILE A 45 7.163 -1.587 11.220 1.00 43.33 C ATOM 668 CD1 ILE A 45 5.206 -0.090 8.331 1.00 63.13 C ATOM 0 H ILE A 45 6.296 -2.480 7.329 1.00 63.24 H new ATOM 0 HA ILE A 45 8.617 -1.871 9.060 1.00 41.15 H new ATOM 0 HB ILE A 45 5.732 -2.208 9.696 1.00 42.11 H new ATOM 0 HG12 ILE A 45 6.256 0.441 10.134 1.00 14.34 H new ATOM 0 HG13 ILE A 45 7.302 0.156 8.756 1.00 14.34 H new ATOM 0 HG21 ILE A 45 6.435 -1.050 11.828 1.00 43.33 H new ATOM 0 HG22 ILE A 45 7.285 -2.598 11.608 1.00 43.33 H new ATOM 0 HG23 ILE A 45 8.120 -1.067 11.256 1.00 43.33 H new ATOM 0 HD11 ILE A 45 5.084 0.949 8.024 1.00 63.13 H new ATOM 0 HD12 ILE A 45 5.369 -0.712 7.451 1.00 63.13 H new ATOM 0 HD13 ILE A 45 4.307 -0.423 8.849 1.00 63.13 H new ATOM 679 N SER A 46 9.048 -4.434 8.933 1.00 61.34 N ATOM 680 CA SER A 46 9.451 -5.778 9.345 1.00 10.44 C ATOM 681 C SER A 46 10.454 -5.769 10.492 1.00 11.11 C ATOM 682 O SER A 46 10.878 -6.835 10.945 1.00 53.02 O ATOM 683 CB SER A 46 9.932 -6.572 8.127 1.00 33.44 C ATOM 684 OG SER A 46 8.801 -7.146 7.505 1.00 21.44 O ATOM 0 H SER A 46 9.752 -3.954 8.373 1.00 61.34 H new ATOM 0 HA SER A 46 8.577 -6.288 9.752 1.00 10.44 H new ATOM 0 HB2 SER A 46 10.459 -5.920 7.431 1.00 33.44 H new ATOM 0 HB3 SER A 46 10.634 -7.348 8.431 1.00 33.44 H new ATOM 0 HG SER A 46 9.085 -7.659 6.720 1.00 21.44 H new ATOM 689 N ASP A 47 10.747 -4.584 11.020 1.00 22.13 N ATOM 690 CA ASP A 47 11.360 -4.440 12.327 1.00 12.21 C ATOM 691 C ASP A 47 10.276 -4.770 13.349 1.00 13.41 C ATOM 692 O ASP A 47 9.106 -4.410 13.169 1.00 11.13 O ATOM 693 CB ASP A 47 11.854 -3.004 12.556 1.00 44.12 C ATOM 694 CG ASP A 47 12.963 -2.560 11.602 1.00 54.35 C ATOM 695 OD1 ASP A 47 13.694 -3.412 11.050 1.00 52.35 O ATOM 696 OD2 ASP A 47 13.078 -1.340 11.338 1.00 21.24 O ATOM 0 H ASP A 47 10.564 -3.698 10.549 1.00 22.13 H new ATOM 0 HA ASP A 47 12.224 -5.099 12.414 1.00 12.21 H new ATOM 0 HB2 ASP A 47 11.010 -2.322 12.456 1.00 44.12 H new ATOM 0 HB3 ASP A 47 12.215 -2.916 13.581 1.00 44.12 H new ATOM 700 N ARG A 48 10.643 -5.426 14.447 1.00 12.20 N ATOM 701 CA ARG A 48 9.810 -5.521 15.642 1.00 21.44 C ATOM 702 C ARG A 48 10.708 -5.640 16.856 1.00 53.01 C ATOM 703 O ARG A 48 11.890 -5.948 16.712 1.00 44.44 O ATOM 704 CB ARG A 48 8.740 -6.616 15.581 1.00 74.12 C ATOM 705 CG ARG A 48 9.231 -7.951 15.055 1.00 30.24 C ATOM 706 CD ARG A 48 10.238 -8.661 15.974 1.00 45.33 C ATOM 707 NE ARG A 48 10.138 -10.120 15.850 1.00 14.30 N ATOM 708 CZ ARG A 48 11.062 -10.978 15.408 1.00 51.31 C ATOM 709 NH1 ARG A 48 12.284 -10.573 15.077 1.00 42.35 N ATOM 710 NH2 ARG A 48 10.737 -12.258 15.313 1.00 54.11 N ATOM 0 H ARG A 48 11.536 -5.911 14.533 1.00 12.20 H new ATOM 0 HA ARG A 48 9.224 -4.604 15.714 1.00 21.44 H new ATOM 0 HB2 ARG A 48 8.332 -6.762 16.581 1.00 74.12 H new ATOM 0 HB3 ARG A 48 7.921 -6.271 14.950 1.00 74.12 H new ATOM 0 HG2 ARG A 48 8.373 -8.605 14.901 1.00 30.24 H new ATOM 0 HG3 ARG A 48 9.693 -7.796 14.080 1.00 30.24 H new ATOM 0 HD2 ARG A 48 11.250 -8.341 15.724 1.00 45.33 H new ATOM 0 HD3 ARG A 48 10.058 -8.369 17.009 1.00 45.33 H new ATOM 0 HE ARG A 48 9.250 -10.531 16.138 1.00 14.30 H new ATOM 0 HH11 ARG A 48 12.534 -9.587 15.158 1.00 42.35 H new ATOM 0 HH12 ARG A 48 12.972 -11.248 14.742 1.00 42.35 H new ATOM 0 HH21 ARG A 48 9.801 -12.567 15.574 1.00 54.11 H new ATOM 0 HH22 ARG A 48 11.423 -12.935 14.979 1.00 54.11 H new ATOM 721 N ASN A 49 10.136 -5.469 18.043 1.00 50.23 N ATOM 722 CA ASN A 49 10.862 -5.559 19.305 1.00 5.23 C ATOM 723 C ASN A 49 10.362 -6.720 20.151 1.00 73.12 C ATOM 724 O ASN A 49 10.974 -7.027 21.167 1.00 11.00 O ATOM 725 CB ASN A 49 10.766 -4.230 20.056 1.00 14.42 C ATOM 726 CG ASN A 49 11.485 -3.132 19.297 1.00 12.30 C ATOM 727 OD1 ASN A 49 12.707 -3.047 19.341 1.00 12.30 O ATOM 728 ND2 ASN A 49 10.755 -2.288 18.588 1.00 5.34 N ATOM 0 H ASN A 49 9.144 -5.262 18.157 1.00 50.23 H new ATOM 0 HA ASN A 49 11.912 -5.757 19.090 1.00 5.23 H new ATOM 0 HB2 ASN A 49 9.719 -3.959 20.193 1.00 14.42 H new ATOM 0 HB3 ASN A 49 11.200 -4.336 21.050 1.00 14.42 H new ATOM 0 HD21 ASN A 49 11.207 -1.542 18.059 1.00 5.34 H new ATOM 0 HD22 ASN A 49 9.740 -2.383 18.570 1.00 5.34 H new ATOM 734 N SER A 50 9.283 -7.389 19.735 1.00 5.31 N ATOM 735 CA SER A 50 8.911 -8.719 20.194 1.00 62.14 C ATOM 736 C SER A 50 8.011 -9.328 19.115 1.00 73.23 C ATOM 737 O SER A 50 8.447 -10.162 18.324 1.00 44.25 O ATOM 738 CB SER A 50 8.246 -8.640 21.581 1.00 41.22 C ATOM 739 OG SER A 50 8.199 -9.913 22.197 1.00 62.54 O ATOM 0 H SER A 50 8.630 -7.005 19.051 1.00 5.31 H new ATOM 0 HA SER A 50 9.779 -9.364 20.330 1.00 62.14 H new ATOM 0 HB2 SER A 50 8.800 -7.947 22.214 1.00 41.22 H new ATOM 0 HB3 SER A 50 7.236 -8.243 21.481 1.00 41.22 H new ATOM 0 HG SER A 50 7.774 -9.835 23.077 1.00 62.54 H new ATOM 744 N ARG A 51 6.784 -8.828 18.973 1.00 52.23 N ATOM 745 CA ARG A 51 5.779 -9.265 18.028 1.00 13.02 C ATOM 746 C ARG A 51 5.172 -7.961 17.512 1.00 23.24 C ATOM 747 O ARG A 51 5.443 -6.883 18.060 1.00 41.12 O ATOM 748 CB ARG A 51 4.769 -10.185 18.755 1.00 22.14 C ATOM 749 CG ARG A 51 3.932 -11.065 17.807 1.00 41.35 C ATOM 750 CD ARG A 51 2.652 -11.615 18.458 1.00 41.15 C ATOM 751 NE ARG A 51 2.806 -12.920 19.126 1.00 22.24 N ATOM 752 CZ ARG A 51 1.902 -13.470 19.954 1.00 3.01 C ATOM 753 NH1 ARG A 51 0.809 -12.802 20.333 1.00 45.03 N ATOM 754 NH2 ARG A 51 2.053 -14.718 20.371 1.00 1.14 N ATOM 0 H ARG A 51 6.453 -8.059 19.556 1.00 52.23 H new ATOM 0 HA ARG A 51 6.156 -9.860 17.196 1.00 13.02 H new ATOM 0 HB2 ARG A 51 5.312 -10.828 19.448 1.00 22.14 H new ATOM 0 HB3 ARG A 51 4.096 -9.569 19.352 1.00 22.14 H new ATOM 0 HG2 ARG A 51 3.662 -10.483 16.926 1.00 41.35 H new ATOM 0 HG3 ARG A 51 4.543 -11.899 17.463 1.00 41.35 H new ATOM 0 HD2 ARG A 51 2.293 -10.890 19.188 1.00 41.15 H new ATOM 0 HD3 ARG A 51 1.882 -11.704 17.692 1.00 41.15 H new ATOM 0 HE ARG A 51 3.662 -13.444 18.946 1.00 22.24 H new ATOM 0 HH11 ARG A 51 0.647 -11.854 19.993 1.00 45.03 H new ATOM 0 HH12 ARG A 51 0.136 -13.240 20.962 1.00 45.03 H new ATOM 0 HH21 ARG A 51 2.857 -15.265 20.064 1.00 1.14 H new ATOM 0 HH22 ARG A 51 1.365 -15.132 21.000 1.00 1.14 H new ATOM 765 N ARG A 52 4.427 -8.029 16.419 1.00 61.23 N ATOM 766 CA ARG A 52 3.666 -6.924 15.845 1.00 25.13 C ATOM 767 C ARG A 52 2.660 -7.530 14.860 1.00 11.30 C ATOM 768 O ARG A 52 2.625 -8.758 14.726 1.00 62.33 O ATOM 769 CB ARG A 52 4.644 -5.903 15.218 1.00 4.10 C ATOM 770 CG ARG A 52 4.350 -4.496 15.750 1.00 24.13 C ATOM 771 CD ARG A 52 5.262 -3.413 15.150 1.00 12.44 C ATOM 772 NE ARG A 52 4.607 -2.097 15.221 1.00 71.34 N ATOM 773 CZ ARG A 52 5.119 -0.895 14.939 1.00 53.42 C ATOM 774 NH1 ARG A 52 6.420 -0.716 14.737 1.00 41.34 N ATOM 775 NH2 ARG A 52 4.314 0.152 14.856 1.00 64.51 N ATOM 0 H ARG A 52 4.331 -8.892 15.883 1.00 61.23 H new ATOM 0 HA ARG A 52 3.100 -6.364 16.590 1.00 25.13 H new ATOM 0 HB2 ARG A 52 5.672 -6.181 15.452 1.00 4.10 H new ATOM 0 HB3 ARG A 52 4.549 -5.917 14.132 1.00 4.10 H new ATOM 0 HG2 ARG A 52 3.311 -4.245 15.537 1.00 24.13 H new ATOM 0 HG3 ARG A 52 4.462 -4.495 16.834 1.00 24.13 H new ATOM 0 HD2 ARG A 52 6.209 -3.385 15.690 1.00 12.44 H new ATOM 0 HD3 ARG A 52 5.493 -3.656 14.113 1.00 12.44 H new ATOM 0 HE ARG A 52 3.634 -2.103 15.526 1.00 71.34 H new ATOM 0 HH11 ARG A 52 7.059 -1.509 14.795 1.00 41.34 H new ATOM 0 HH12 ARG A 52 6.780 0.214 14.523 1.00 41.34 H new ATOM 0 HH21 ARG A 52 3.312 0.038 15.007 1.00 64.51 H new ATOM 0 HH22 ARG A 52 4.696 1.073 14.641 1.00 64.51 H new ATOM 786 N SER A 53 1.859 -6.728 14.150 1.00 23.20 N ATOM 787 CA SER A 53 0.998 -7.259 13.086 1.00 50.31 C ATOM 788 C SER A 53 1.788 -8.029 12.023 1.00 3.30 C ATOM 789 O SER A 53 1.258 -8.981 11.462 1.00 70.22 O ATOM 790 CB SER A 53 0.156 -6.153 12.437 1.00 62.33 C ATOM 791 OG SER A 53 -1.187 -6.226 12.868 1.00 53.14 O ATOM 0 H SER A 53 1.788 -5.720 14.290 1.00 23.20 H new ATOM 0 HA SER A 53 0.322 -7.967 13.565 1.00 50.31 H new ATOM 0 HB2 SER A 53 0.571 -5.178 12.690 1.00 62.33 H new ATOM 0 HB3 SER A 53 0.200 -6.246 11.352 1.00 62.33 H new ATOM 0 HG SER A 53 -1.706 -5.511 12.444 1.00 53.14 H new ATOM 796 N LYS A 54 3.063 -7.688 11.800 1.00 42.31 N ATOM 797 CA LYS A 54 4.013 -8.414 10.955 1.00 72.32 C ATOM 798 C LYS A 54 3.610 -8.648 9.492 1.00 33.20 C ATOM 799 O LYS A 54 4.320 -9.381 8.797 1.00 73.51 O ATOM 800 CB LYS A 54 4.639 -9.620 11.670 1.00 3.13 C ATOM 801 CG LYS A 54 3.693 -10.792 11.754 1.00 74.54 C ATOM 802 CD LYS A 54 4.408 -12.125 11.509 1.00 32.50 C ATOM 803 CE LYS A 54 4.599 -12.392 10.009 1.00 4.44 C ATOM 804 NZ LYS A 54 5.767 -11.738 9.376 1.00 53.43 N ATOM 0 H LYS A 54 3.478 -6.859 12.225 1.00 42.31 H new ATOM 0 HA LYS A 54 4.825 -7.701 10.810 1.00 72.32 H new ATOM 0 HB2 LYS A 54 5.543 -9.923 11.142 1.00 3.13 H new ATOM 0 HB3 LYS A 54 4.940 -9.327 12.676 1.00 3.13 H new ATOM 0 HG2 LYS A 54 3.222 -10.808 12.737 1.00 74.54 H new ATOM 0 HG3 LYS A 54 2.896 -10.668 11.021 1.00 74.54 H new ATOM 0 HD2 LYS A 54 5.379 -12.115 12.005 1.00 32.50 H new ATOM 0 HD3 LYS A 54 3.831 -12.936 11.954 1.00 32.50 H new ATOM 0 HE2 LYS A 54 4.686 -13.468 9.860 1.00 4.44 H new ATOM 0 HE3 LYS A 54 3.699 -12.069 9.485 1.00 4.44 H new ATOM 0 HZ1 LYS A 54 6.065 -12.288 8.546 1.00 53.43 H new ATOM 0 HZ2 LYS A 54 5.507 -10.776 9.079 1.00 53.43 H new ATOM 0 HZ3 LYS A 54 6.550 -11.690 10.059 1.00 53.43 H new ATOM 814 N GLY A 55 2.552 -8.009 9.001 1.00 24.43 N ATOM 815 CA GLY A 55 2.270 -7.885 7.585 1.00 24.41 C ATOM 816 C GLY A 55 1.839 -6.460 7.270 1.00 32.53 C ATOM 817 O GLY A 55 0.766 -6.255 6.707 1.00 3.13 O ATOM 0 H GLY A 55 1.856 -7.556 9.593 1.00 24.43 H new ATOM 0 HA2 GLY A 55 3.155 -8.144 7.004 1.00 24.41 H new ATOM 0 HA3 GLY A 55 1.485 -8.584 7.298 1.00 24.41 H new ATOM 821 N ILE A 56 2.676 -5.485 7.635 1.00 64.31 N ATOM 822 CA ILE A 56 2.396 -4.055 7.527 1.00 32.13 C ATOM 823 C ILE A 56 3.426 -3.359 6.636 1.00 72.15 C ATOM 824 O ILE A 56 4.638 -3.489 6.839 1.00 33.40 O ATOM 825 CB ILE A 56 2.271 -3.387 8.918 1.00 32.41 C ATOM 826 CG1 ILE A 56 3.338 -3.865 9.927 1.00 54.32 C ATOM 827 CG2 ILE A 56 0.855 -3.625 9.461 1.00 30.14 C ATOM 828 CD1 ILE A 56 3.449 -2.967 11.166 1.00 52.31 C ATOM 0 H ILE A 56 3.598 -5.679 8.027 1.00 64.31 H new ATOM 0 HA ILE A 56 1.425 -3.941 7.045 1.00 32.13 H new ATOM 0 HB ILE A 56 2.451 -2.320 8.789 1.00 32.41 H new ATOM 0 HG12 ILE A 56 3.099 -4.880 10.243 1.00 54.32 H new ATOM 0 HG13 ILE A 56 4.307 -3.906 9.429 1.00 54.32 H new ATOM 0 HG21 ILE A 56 0.758 -3.158 10.441 1.00 30.14 H new ATOM 0 HG22 ILE A 56 0.125 -3.190 8.778 1.00 30.14 H new ATOM 0 HG23 ILE A 56 0.675 -4.696 9.550 1.00 30.14 H new ATOM 0 HD11 ILE A 56 4.216 -3.360 11.833 1.00 52.31 H new ATOM 0 HD12 ILE A 56 3.718 -1.956 10.860 1.00 52.31 H new ATOM 0 HD13 ILE A 56 2.492 -2.946 11.687 1.00 52.31 H new ATOM 839 N ALA A 57 2.942 -2.604 5.648 1.00 45.32 N ATOM 840 CA ALA A 57 3.746 -1.762 4.766 1.00 3.21 C ATOM 841 C ALA A 57 2.925 -0.564 4.288 1.00 72.23 C ATOM 842 O ALA A 57 1.698 -0.640 4.239 1.00 64.31 O ATOM 843 CB ALA A 57 4.202 -2.575 3.544 1.00 25.30 C ATOM 0 H ALA A 57 1.946 -2.562 5.434 1.00 45.32 H new ATOM 0 HA ALA A 57 4.615 -1.408 5.320 1.00 3.21 H new ATOM 0 HB1 ALA A 57 4.801 -1.942 2.889 1.00 25.30 H new ATOM 0 HB2 ALA A 57 4.800 -3.424 3.875 1.00 25.30 H new ATOM 0 HB3 ALA A 57 3.329 -2.936 3.000 1.00 25.30 H new ATOM 849 N TYR A 58 3.605 0.494 3.856 1.00 4.41 N ATOM 850 CA TYR A 58 3.042 1.596 3.079 1.00 14.13 C ATOM 851 C TYR A 58 3.873 1.711 1.800 1.00 53.11 C ATOM 852 O TYR A 58 5.103 1.596 1.846 1.00 3.14 O ATOM 853 CB TYR A 58 3.077 2.893 3.891 1.00 62.54 C ATOM 854 CG TYR A 58 2.350 2.831 5.211 1.00 51.22 C ATOM 855 CD1 TYR A 58 3.007 2.340 6.350 1.00 70.34 C ATOM 856 CD2 TYR A 58 1.015 3.261 5.297 1.00 42.41 C ATOM 857 CE1 TYR A 58 2.317 2.233 7.566 1.00 65.22 C ATOM 858 CE2 TYR A 58 0.334 3.202 6.520 1.00 11.32 C ATOM 859 CZ TYR A 58 0.972 2.664 7.659 1.00 21.34 C ATOM 860 OH TYR A 58 0.284 2.558 8.831 1.00 65.45 O ATOM 0 H TYR A 58 4.600 0.613 4.044 1.00 4.41 H new ATOM 0 HA TYR A 58 1.997 1.411 2.831 1.00 14.13 H new ATOM 0 HB2 TYR A 58 4.117 3.161 4.077 1.00 62.54 H new ATOM 0 HB3 TYR A 58 2.644 3.693 3.291 1.00 62.54 H new ATOM 0 HD1 TYR A 58 4.044 2.045 6.290 1.00 70.34 H new ATOM 0 HD2 TYR A 58 0.513 3.638 4.418 1.00 42.41 H new ATOM 0 HE1 TYR A 58 2.812 1.821 8.433 1.00 65.22 H new ATOM 0 HE2 TYR A 58 -0.679 3.568 6.592 1.00 11.32 H new ATOM 0 HH TYR A 58 -0.209 1.711 8.845 1.00 65.45 H new ATOM 869 N VAL A 59 3.208 1.877 0.658 1.00 24.32 N ATOM 870 CA VAL A 59 3.811 1.757 -0.663 1.00 21.54 C ATOM 871 C VAL A 59 3.293 2.865 -1.596 1.00 33.24 C ATOM 872 O VAL A 59 2.097 2.945 -1.881 1.00 25.51 O ATOM 873 CB VAL A 59 3.804 0.261 -1.080 1.00 65.13 C ATOM 874 CG1 VAL A 59 2.518 -0.517 -0.796 1.00 10.33 C ATOM 875 CG2 VAL A 59 4.131 0.047 -2.554 1.00 65.55 C ATOM 0 H VAL A 59 2.214 2.103 0.628 1.00 24.32 H new ATOM 0 HA VAL A 59 4.876 1.984 -0.708 1.00 21.54 H new ATOM 0 HB VAL A 59 4.588 -0.135 -0.434 1.00 65.13 H new ATOM 0 HG11 VAL A 59 2.635 -1.548 -1.131 1.00 10.33 H new ATOM 0 HG12 VAL A 59 2.314 -0.504 0.275 1.00 10.33 H new ATOM 0 HG13 VAL A 59 1.688 -0.054 -1.329 1.00 10.33 H new ATOM 0 HG21 VAL A 59 4.110 -1.019 -2.780 1.00 65.55 H new ATOM 0 HG22 VAL A 59 3.394 0.563 -3.169 1.00 65.55 H new ATOM 0 HG23 VAL A 59 5.124 0.443 -2.768 1.00 65.55 H new ATOM 885 N GLU A 60 4.176 3.816 -1.932 1.00 11.22 N ATOM 886 CA GLU A 60 3.885 5.058 -2.653 1.00 12.20 C ATOM 887 C GLU A 60 3.638 4.768 -4.134 1.00 12.32 C ATOM 888 O GLU A 60 4.525 4.244 -4.813 1.00 53.24 O ATOM 889 CB GLU A 60 5.026 6.077 -2.456 1.00 54.24 C ATOM 890 CG GLU A 60 4.687 7.421 -3.136 1.00 51.21 C ATOM 891 CD GLU A 60 5.752 8.515 -2.985 1.00 43.13 C ATOM 892 OE1 GLU A 60 6.353 8.654 -1.897 1.00 72.24 O ATOM 893 OE2 GLU A 60 5.925 9.312 -3.945 1.00 22.33 O ATOM 0 H GLU A 60 5.164 3.733 -1.694 1.00 11.22 H new ATOM 0 HA GLU A 60 2.976 5.499 -2.245 1.00 12.20 H new ATOM 0 HB2 GLU A 60 5.197 6.236 -1.391 1.00 54.24 H new ATOM 0 HB3 GLU A 60 5.951 5.678 -2.871 1.00 54.24 H new ATOM 0 HG2 GLU A 60 4.522 7.241 -4.198 1.00 51.21 H new ATOM 0 HG3 GLU A 60 3.748 7.791 -2.725 1.00 51.21 H new ATOM 898 N PHE A 61 2.469 5.143 -4.661 1.00 22.31 N ATOM 899 CA PHE A 61 2.209 5.057 -6.090 1.00 25.44 C ATOM 900 C PHE A 61 2.933 6.157 -6.856 1.00 61.52 C ATOM 901 O PHE A 61 3.157 7.265 -6.360 1.00 21.43 O ATOM 902 CB PHE A 61 0.707 5.142 -6.392 1.00 11.33 C ATOM 903 CG PHE A 61 0.089 3.782 -6.567 1.00 34.12 C ATOM 904 CD1 PHE A 61 0.324 3.096 -7.772 1.00 63.33 C ATOM 905 CD2 PHE A 61 -0.662 3.183 -5.539 1.00 23.50 C ATOM 906 CE1 PHE A 61 -0.161 1.794 -7.939 1.00 44.04 C ATOM 907 CE2 PHE A 61 -1.182 1.891 -5.722 1.00 4.02 C ATOM 908 CZ PHE A 61 -0.915 1.202 -6.917 1.00 30.10 C ATOM 0 H PHE A 61 1.690 5.509 -4.113 1.00 22.31 H new ATOM 0 HA PHE A 61 2.585 4.088 -6.417 1.00 25.44 H new ATOM 0 HB2 PHE A 61 0.203 5.667 -5.580 1.00 11.33 H new ATOM 0 HB3 PHE A 61 0.552 5.730 -7.297 1.00 11.33 H new ATOM 0 HD1 PHE A 61 0.878 3.573 -8.567 1.00 63.33 H new ATOM 0 HD2 PHE A 61 -0.838 3.713 -4.615 1.00 23.50 H new ATOM 0 HE1 PHE A 61 0.044 1.250 -8.849 1.00 44.04 H new ATOM 0 HE2 PHE A 61 -1.782 1.431 -4.951 1.00 4.02 H new ATOM 0 HZ PHE A 61 -1.297 0.201 -7.050 1.00 30.10 H new ATOM 917 N VAL A 62 3.213 5.874 -8.126 1.00 73.22 N ATOM 918 CA VAL A 62 3.633 6.875 -9.098 1.00 1.02 C ATOM 919 C VAL A 62 2.440 7.761 -9.527 1.00 51.12 C ATOM 920 O VAL A 62 2.664 8.892 -9.963 1.00 3.41 O ATOM 921 CB VAL A 62 4.327 6.132 -10.265 1.00 24.43 C ATOM 922 CG1 VAL A 62 4.673 7.027 -11.457 1.00 54.25 C ATOM 923 CG2 VAL A 62 5.617 5.454 -9.785 1.00 43.42 C ATOM 0 H VAL A 62 3.153 4.932 -8.512 1.00 73.22 H new ATOM 0 HA VAL A 62 4.352 7.574 -8.670 1.00 1.02 H new ATOM 0 HB VAL A 62 3.597 5.397 -10.605 1.00 24.43 H new ATOM 0 HG11 VAL A 62 5.156 6.431 -12.231 1.00 54.25 H new ATOM 0 HG12 VAL A 62 3.761 7.470 -11.856 1.00 54.25 H new ATOM 0 HG13 VAL A 62 5.349 7.818 -11.134 1.00 54.25 H new ATOM 0 HG21 VAL A 62 6.089 4.937 -10.621 1.00 43.42 H new ATOM 0 HG22 VAL A 62 6.299 6.207 -9.392 1.00 43.42 H new ATOM 0 HG23 VAL A 62 5.380 4.735 -9.001 1.00 43.42 H new ATOM 933 N ASP A 63 1.187 7.304 -9.373 1.00 74.55 N ATOM 934 CA ASP A 63 -0.027 8.000 -9.810 1.00 50.15 C ATOM 935 C ASP A 63 -1.103 7.886 -8.738 1.00 61.23 C ATOM 936 O ASP A 63 -1.445 6.780 -8.315 1.00 45.24 O ATOM 937 CB ASP A 63 -0.565 7.360 -11.096 1.00 64.52 C ATOM 938 CG ASP A 63 -1.836 8.000 -11.681 1.00 65.34 C ATOM 939 OD1 ASP A 63 -2.337 9.030 -11.179 1.00 25.33 O ATOM 940 OD2 ASP A 63 -2.313 7.474 -12.713 1.00 62.32 O ATOM 0 H ASP A 63 0.988 6.409 -8.925 1.00 74.55 H new ATOM 0 HA ASP A 63 0.221 9.047 -9.987 1.00 50.15 H new ATOM 0 HB2 ASP A 63 0.219 7.396 -11.853 1.00 64.52 H new ATOM 0 HB3 ASP A 63 -0.769 6.308 -10.898 1.00 64.52 H new ATOM 944 N VAL A 64 -1.668 9.026 -8.351 1.00 2.24 N ATOM 945 CA VAL A 64 -2.825 9.135 -7.463 1.00 52.33 C ATOM 946 C VAL A 64 -4.013 8.305 -7.984 1.00 41.11 C ATOM 947 O VAL A 64 -4.772 7.749 -7.198 1.00 10.12 O ATOM 948 CB VAL A 64 -3.137 10.639 -7.266 1.00 25.30 C ATOM 949 CG1 VAL A 64 -3.515 11.371 -8.567 1.00 61.53 C ATOM 950 CG2 VAL A 64 -4.202 10.932 -6.207 1.00 43.35 C ATOM 0 H VAL A 64 -1.321 9.935 -8.658 1.00 2.24 H new ATOM 0 HA VAL A 64 -2.608 8.707 -6.484 1.00 52.33 H new ATOM 0 HB VAL A 64 -2.186 11.030 -6.906 1.00 25.30 H new ATOM 0 HG11 VAL A 64 -3.719 12.419 -8.349 1.00 61.53 H new ATOM 0 HG12 VAL A 64 -2.690 11.302 -9.276 1.00 61.53 H new ATOM 0 HG13 VAL A 64 -4.404 10.910 -8.999 1.00 61.53 H new ATOM 0 HG21 VAL A 64 -4.357 12.009 -6.135 1.00 43.35 H new ATOM 0 HG22 VAL A 64 -5.138 10.448 -6.488 1.00 43.35 H new ATOM 0 HG23 VAL A 64 -3.871 10.548 -5.242 1.00 43.35 H new ATOM 960 N SER A 65 -4.161 8.131 -9.297 1.00 14.22 N ATOM 961 CA SER A 65 -5.309 7.438 -9.872 1.00 50.31 C ATOM 962 C SER A 65 -5.254 5.918 -9.663 1.00 70.22 C ATOM 963 O SER A 65 -6.302 5.270 -9.691 1.00 3.11 O ATOM 964 CB SER A 65 -5.445 7.792 -11.356 1.00 44.11 C ATOM 965 OG SER A 65 -5.288 9.191 -11.552 1.00 72.11 O ATOM 0 H SER A 65 -3.490 8.466 -9.988 1.00 14.22 H new ATOM 0 HA SER A 65 -6.197 7.782 -9.341 1.00 50.31 H new ATOM 0 HB2 SER A 65 -4.696 7.252 -11.935 1.00 44.11 H new ATOM 0 HB3 SER A 65 -6.421 7.475 -11.723 1.00 44.11 H new ATOM 0 HG SER A 65 -4.337 9.423 -11.506 1.00 72.11 H new ATOM 970 N SER A 66 -4.080 5.325 -9.408 1.00 71.45 N ATOM 971 CA SER A 66 -4.007 3.914 -9.055 1.00 70.44 C ATOM 972 C SER A 66 -4.305 3.664 -7.582 1.00 32.23 C ATOM 973 O SER A 66 -4.386 2.498 -7.191 1.00 25.53 O ATOM 974 CB SER A 66 -2.617 3.354 -9.296 1.00 44.35 C ATOM 975 OG SER A 66 -2.083 3.702 -10.562 1.00 74.13 O ATOM 0 H SER A 66 -3.179 5.802 -9.441 1.00 71.45 H new ATOM 0 HA SER A 66 -4.753 3.429 -9.685 1.00 70.44 H new ATOM 0 HB2 SER A 66 -1.947 3.715 -8.515 1.00 44.35 H new ATOM 0 HB3 SER A 66 -2.651 2.268 -9.210 1.00 44.35 H new ATOM 0 HG SER A 66 -1.188 3.315 -10.657 1.00 74.13 H new ATOM 980 N VAL A 67 -4.416 4.712 -6.761 1.00 64.44 N ATOM 981 CA VAL A 67 -4.713 4.575 -5.347 1.00 31.51 C ATOM 982 C VAL A 67 -6.031 3.811 -5.219 1.00 1.40 C ATOM 983 O VAL A 67 -5.950 2.659 -4.793 1.00 71.45 O ATOM 984 CB VAL A 67 -4.660 5.936 -4.628 1.00 52.33 C ATOM 985 CG1 VAL A 67 -5.116 5.864 -3.170 1.00 41.35 C ATOM 986 CG2 VAL A 67 -3.238 6.509 -4.684 1.00 33.53 C ATOM 0 H VAL A 67 -4.301 5.678 -7.067 1.00 64.44 H new ATOM 0 HA VAL A 67 -3.952 3.991 -4.830 1.00 31.51 H new ATOM 0 HB VAL A 67 -5.356 6.589 -5.155 1.00 52.33 H new ATOM 0 HG11 VAL A 67 -5.055 6.855 -2.720 1.00 41.35 H new ATOM 0 HG12 VAL A 67 -6.146 5.509 -3.128 1.00 41.35 H new ATOM 0 HG13 VAL A 67 -4.473 5.176 -2.621 1.00 41.35 H new ATOM 0 HG21 VAL A 67 -3.213 7.471 -4.173 1.00 33.53 H new ATOM 0 HG22 VAL A 67 -2.549 5.820 -4.195 1.00 33.53 H new ATOM 0 HG23 VAL A 67 -2.940 6.643 -5.724 1.00 33.53 H new ATOM 996 N PRO A 68 -7.208 4.329 -5.635 1.00 25.54 N ATOM 997 CA PRO A 68 -8.486 3.644 -5.425 1.00 5.43 C ATOM 998 C PRO A 68 -8.582 2.280 -6.126 1.00 74.24 C ATOM 999 O PRO A 68 -9.414 1.461 -5.736 1.00 30.33 O ATOM 1000 CB PRO A 68 -9.568 4.622 -5.899 1.00 33.23 C ATOM 1001 CG PRO A 68 -8.840 5.511 -6.897 1.00 62.21 C ATOM 1002 CD PRO A 68 -7.448 5.612 -6.288 1.00 70.54 C ATOM 0 HA PRO A 68 -8.607 3.392 -4.372 1.00 5.43 H new ATOM 0 HB2 PRO A 68 -10.404 4.099 -6.364 1.00 33.23 H new ATOM 0 HB3 PRO A 68 -9.975 5.201 -5.070 1.00 33.23 H new ATOM 0 HG2 PRO A 68 -8.817 5.069 -7.893 1.00 62.21 H new ATOM 0 HG3 PRO A 68 -9.314 6.488 -6.992 1.00 62.21 H new ATOM 0 HD2 PRO A 68 -6.698 5.807 -7.055 1.00 70.54 H new ATOM 0 HD3 PRO A 68 -7.393 6.432 -5.572 1.00 70.54 H new ATOM 1007 N LEU A 69 -7.722 2.002 -7.113 1.00 5.04 N ATOM 1008 CA LEU A 69 -7.614 0.704 -7.778 1.00 24.11 C ATOM 1009 C LEU A 69 -7.347 -0.386 -6.731 1.00 73.33 C ATOM 1010 O LEU A 69 -7.973 -1.443 -6.766 1.00 73.53 O ATOM 1011 CB LEU A 69 -6.499 0.777 -8.844 1.00 12.03 C ATOM 1012 CG LEU A 69 -6.678 -0.110 -10.087 1.00 31.54 C ATOM 1013 CD1 LEU A 69 -5.558 0.258 -11.070 1.00 41.02 C ATOM 1014 CD2 LEU A 69 -6.615 -1.607 -9.770 1.00 74.33 C ATOM 0 H LEU A 69 -7.067 2.693 -7.478 1.00 5.04 H new ATOM 0 HA LEU A 69 -8.545 0.450 -8.284 1.00 24.11 H new ATOM 0 HB2 LEU A 69 -6.410 1.812 -9.174 1.00 12.03 H new ATOM 0 HB3 LEU A 69 -5.555 0.511 -8.369 1.00 12.03 H new ATOM 0 HG LEU A 69 -7.668 0.069 -10.506 1.00 31.54 H new ATOM 0 HD11 LEU A 69 -5.649 -0.351 -11.969 1.00 41.02 H new ATOM 0 HD12 LEU A 69 -5.639 1.312 -11.336 1.00 41.02 H new ATOM 0 HD13 LEU A 69 -4.590 0.075 -10.604 1.00 41.02 H new ATOM 0 HD21 LEU A 69 -6.748 -2.179 -10.688 1.00 74.33 H new ATOM 0 HD22 LEU A 69 -5.646 -1.845 -9.331 1.00 74.33 H new ATOM 0 HD23 LEU A 69 -7.406 -1.863 -9.065 1.00 74.33 H new ATOM 1025 N ALA A 70 -6.463 -0.111 -5.759 1.00 41.32 N ATOM 1026 CA ALA A 70 -6.098 -1.071 -4.720 1.00 5.12 C ATOM 1027 C ALA A 70 -7.310 -1.583 -3.921 1.00 41.43 C ATOM 1028 O ALA A 70 -7.341 -2.763 -3.563 1.00 1.30 O ATOM 1029 CB ALA A 70 -5.057 -0.441 -3.789 1.00 63.11 C ATOM 0 H ALA A 70 -5.984 0.786 -5.676 1.00 41.32 H new ATOM 0 HA ALA A 70 -5.673 -1.945 -5.214 1.00 5.12 H new ATOM 0 HB1 ALA A 70 -4.783 -1.156 -3.013 1.00 63.11 H new ATOM 0 HB2 ALA A 70 -4.171 -0.172 -4.363 1.00 63.11 H new ATOM 0 HB3 ALA A 70 -5.476 0.453 -3.327 1.00 63.11 H new ATOM 1035 N ILE A 71 -8.312 -0.736 -3.649 1.00 12.40 N ATOM 1036 CA ILE A 71 -9.539 -1.134 -2.954 1.00 5.13 C ATOM 1037 C ILE A 71 -10.246 -2.232 -3.743 1.00 72.22 C ATOM 1038 O ILE A 71 -10.685 -3.215 -3.147 1.00 21.52 O ATOM 1039 CB ILE A 71 -10.442 0.101 -2.712 1.00 43.13 C ATOM 1040 CG1 ILE A 71 -9.853 0.938 -1.566 1.00 53.23 C ATOM 1041 CG2 ILE A 71 -11.903 -0.247 -2.376 1.00 5.00 C ATOM 1042 CD1 ILE A 71 -10.258 2.417 -1.624 1.00 11.32 C ATOM 0 H ILE A 71 -8.292 0.250 -3.908 1.00 12.40 H new ATOM 0 HA ILE A 71 -9.294 -1.544 -1.974 1.00 5.13 H new ATOM 0 HB ILE A 71 -10.462 0.657 -3.650 1.00 43.13 H new ATOM 0 HG12 ILE A 71 -10.177 0.517 -0.614 1.00 53.23 H new ATOM 0 HG13 ILE A 71 -8.766 0.865 -1.594 1.00 53.23 H new ATOM 0 HG21 ILE A 71 -12.469 0.671 -2.221 1.00 5.00 H new ATOM 0 HG22 ILE A 71 -12.342 -0.809 -3.200 1.00 5.00 H new ATOM 0 HG23 ILE A 71 -11.934 -0.850 -1.469 1.00 5.00 H new ATOM 0 HD11 ILE A 71 -9.808 2.950 -0.787 1.00 11.32 H new ATOM 0 HD12 ILE A 71 -9.910 2.853 -2.561 1.00 11.32 H new ATOM 0 HD13 ILE A 71 -11.343 2.500 -1.566 1.00 11.32 H new ATOM 1053 N GLY A 72 -10.318 -2.107 -5.071 1.00 64.22 N ATOM 1054 CA GLY A 72 -10.951 -3.088 -5.941 1.00 75.13 C ATOM 1055 C GLY A 72 -10.262 -4.453 -5.907 1.00 51.23 C ATOM 1056 O GLY A 72 -10.765 -5.400 -6.516 1.00 24.20 O ATOM 0 H GLY A 72 -9.931 -1.308 -5.574 1.00 64.22 H new ATOM 0 HA2 GLY A 72 -11.994 -3.207 -5.647 1.00 75.13 H new ATOM 0 HA3 GLY A 72 -10.949 -2.712 -6.964 1.00 75.13 H new ATOM 1060 N LEU A 73 -9.133 -4.601 -5.205 1.00 74.13 N ATOM 1061 CA LEU A 73 -8.343 -5.823 -5.128 1.00 70.14 C ATOM 1062 C LEU A 73 -8.256 -6.377 -3.696 1.00 2.43 C ATOM 1063 O LEU A 73 -7.549 -7.363 -3.504 1.00 63.12 O ATOM 1064 CB LEU A 73 -6.938 -5.600 -5.714 1.00 62.35 C ATOM 1065 CG LEU A 73 -6.857 -4.920 -7.091 1.00 45.01 C ATOM 1066 CD1 LEU A 73 -5.401 -4.594 -7.443 1.00 21.31 C ATOM 1067 CD2 LEU A 73 -7.444 -5.822 -8.178 1.00 11.30 C ATOM 0 H LEU A 73 -8.734 -3.840 -4.656 1.00 74.13 H new ATOM 0 HA LEU A 73 -8.858 -6.574 -5.727 1.00 70.14 H new ATOM 0 HB2 LEU A 73 -6.367 -5.000 -5.006 1.00 62.35 H new ATOM 0 HB3 LEU A 73 -6.442 -6.568 -5.784 1.00 62.35 H new ATOM 0 HG LEU A 73 -7.435 -3.997 -7.040 1.00 45.01 H new ATOM 0 HD11 LEU A 73 -5.362 -4.113 -8.420 1.00 21.31 H new ATOM 0 HD12 LEU A 73 -4.987 -3.922 -6.691 1.00 21.31 H new ATOM 0 HD13 LEU A 73 -4.818 -5.515 -7.468 1.00 21.31 H new ATOM 0 HD21 LEU A 73 -7.376 -5.320 -9.143 1.00 11.30 H new ATOM 0 HD22 LEU A 73 -6.886 -6.757 -8.215 1.00 11.30 H new ATOM 0 HD23 LEU A 73 -8.489 -6.032 -7.951 1.00 11.30 H new ATOM 1078 N THR A 74 -8.963 -5.805 -2.704 1.00 62.52 N ATOM 1079 CA THR A 74 -8.951 -6.266 -1.306 1.00 34.52 C ATOM 1080 C THR A 74 -9.148 -7.786 -1.170 1.00 52.44 C ATOM 1081 O THR A 74 -8.558 -8.392 -0.278 1.00 1.23 O ATOM 1082 CB THR A 74 -9.930 -5.447 -0.437 1.00 25.44 C ATOM 1083 OG1 THR A 74 -9.824 -5.775 0.940 1.00 32.52 O ATOM 1084 CG2 THR A 74 -11.398 -5.613 -0.828 1.00 55.31 C ATOM 0 H THR A 74 -9.567 -4.997 -2.855 1.00 62.52 H new ATOM 0 HA THR A 74 -7.950 -6.078 -0.918 1.00 34.52 H new ATOM 0 HB THR A 74 -9.631 -4.414 -0.617 1.00 25.44 H new ATOM 0 HG1 THR A 74 -8.881 -5.902 1.174 1.00 32.52 H new ATOM 0 HG21 THR A 74 -12.021 -5.006 -0.171 1.00 55.31 H new ATOM 0 HG22 THR A 74 -11.538 -5.291 -1.860 1.00 55.31 H new ATOM 0 HG23 THR A 74 -11.684 -6.661 -0.733 1.00 55.31 H new ATOM 1092 N GLY A 75 -9.939 -8.392 -2.057 1.00 51.34 N ATOM 1093 CA GLY A 75 -10.338 -9.789 -2.028 1.00 31.50 C ATOM 1094 C GLY A 75 -9.654 -10.648 -3.088 1.00 73.11 C ATOM 1095 O GLY A 75 -10.119 -11.759 -3.346 1.00 22.10 O ATOM 0 H GLY A 75 -10.335 -7.892 -2.852 1.00 51.34 H new ATOM 0 HA2 GLY A 75 -10.117 -10.200 -1.043 1.00 31.50 H new ATOM 0 HA3 GLY A 75 -11.418 -9.852 -2.164 1.00 31.50 H new ATOM 1099 N GLN A 76 -8.604 -10.148 -3.744 1.00 74.51 N ATOM 1100 CA GLN A 76 -7.622 -11.010 -4.396 1.00 72.33 C ATOM 1101 C GLN A 76 -6.489 -11.268 -3.408 1.00 65.32 C ATOM 1102 O GLN A 76 -6.446 -10.655 -2.346 1.00 30.12 O ATOM 1103 CB GLN A 76 -7.078 -10.380 -5.680 1.00 12.10 C ATOM 1104 CG GLN A 76 -8.164 -10.017 -6.696 1.00 60.54 C ATOM 1105 CD GLN A 76 -7.643 -9.933 -8.129 1.00 64.41 C ATOM 1106 OE1 GLN A 76 -6.805 -10.721 -8.569 1.00 54.45 O ATOM 1107 NE2 GLN A 76 -8.141 -8.977 -8.890 1.00 43.32 N ATOM 0 H GLN A 76 -8.414 -9.150 -3.836 1.00 74.51 H new ATOM 0 HA GLN A 76 -8.101 -11.946 -4.683 1.00 72.33 H new ATOM 0 HB2 GLN A 76 -6.518 -9.481 -5.424 1.00 12.10 H new ATOM 0 HB3 GLN A 76 -6.375 -11.072 -6.144 1.00 12.10 H new ATOM 0 HG2 GLN A 76 -8.960 -10.760 -6.649 1.00 60.54 H new ATOM 0 HG3 GLN A 76 -8.605 -9.059 -6.420 1.00 60.54 H new ATOM 0 HE21 GLN A 76 -8.834 -8.332 -8.511 1.00 43.32 H new ATOM 0 HE22 GLN A 76 -7.833 -8.883 -9.858 1.00 43.32 H new ATOM 1114 N ARG A 77 -5.558 -12.164 -3.745 1.00 10.32 N ATOM 1115 CA ARG A 77 -4.420 -12.499 -2.894 1.00 3.12 C ATOM 1116 C ARG A 77 -3.261 -13.054 -3.718 1.00 53.23 C ATOM 1117 O ARG A 77 -3.276 -14.223 -4.104 1.00 30.43 O ATOM 1118 CB ARG A 77 -4.849 -13.459 -1.780 1.00 34.10 C ATOM 1119 CG ARG A 77 -5.710 -14.638 -2.249 1.00 24.22 C ATOM 1120 CD ARG A 77 -5.851 -15.611 -1.087 1.00 55.15 C ATOM 1121 NE ARG A 77 -6.480 -16.864 -1.509 1.00 15.34 N ATOM 1122 CZ ARG A 77 -6.920 -17.838 -0.709 1.00 64.51 C ATOM 1123 NH1 ARG A 77 -6.904 -17.690 0.614 1.00 61.52 N ATOM 1124 NH2 ARG A 77 -7.377 -18.964 -1.238 1.00 75.24 N ATOM 0 H ARG A 77 -5.576 -12.680 -4.624 1.00 10.32 H new ATOM 0 HA ARG A 77 -4.060 -11.586 -2.420 1.00 3.12 H new ATOM 0 HB2 ARG A 77 -3.956 -13.850 -1.292 1.00 34.10 H new ATOM 0 HB3 ARG A 77 -5.404 -12.898 -1.028 1.00 34.10 H new ATOM 0 HG2 ARG A 77 -6.690 -14.288 -2.574 1.00 24.22 H new ATOM 0 HG3 ARG A 77 -5.248 -15.131 -3.104 1.00 24.22 H new ATOM 0 HD2 ARG A 77 -4.868 -15.820 -0.665 1.00 55.15 H new ATOM 0 HD3 ARG A 77 -6.446 -15.152 -0.297 1.00 55.15 H new ATOM 0 HE ARG A 77 -6.593 -17.007 -2.513 1.00 15.34 H new ATOM 0 HH11 ARG A 77 -6.553 -16.826 1.026 1.00 61.52 H new ATOM 0 HH12 ARG A 77 -7.243 -18.441 1.215 1.00 61.52 H new ATOM 0 HH21 ARG A 77 -7.391 -19.083 -2.251 1.00 75.24 H new ATOM 0 HH22 ARG A 77 -7.715 -19.712 -0.632 1.00 75.24 H new ATOM 1135 N VAL A 78 -2.264 -12.241 -4.034 1.00 22.34 N ATOM 1136 CA VAL A 78 -1.100 -12.687 -4.791 1.00 31.24 C ATOM 1137 C VAL A 78 -0.302 -13.638 -3.907 1.00 70.34 C ATOM 1138 O VAL A 78 0.201 -13.228 -2.864 1.00 61.45 O ATOM 1139 CB VAL A 78 -0.235 -11.519 -5.327 1.00 11.11 C ATOM 1140 CG1 VAL A 78 -0.944 -10.787 -6.464 1.00 21.42 C ATOM 1141 CG2 VAL A 78 0.199 -10.482 -4.276 1.00 22.34 C ATOM 0 H VAL A 78 -2.237 -11.255 -3.774 1.00 22.34 H new ATOM 0 HA VAL A 78 -1.438 -13.206 -5.688 1.00 31.24 H new ATOM 0 HB VAL A 78 0.674 -12.009 -5.676 1.00 11.11 H new ATOM 0 HG11 VAL A 78 -0.314 -9.972 -6.821 1.00 21.42 H new ATOM 0 HG12 VAL A 78 -1.135 -11.483 -7.281 1.00 21.42 H new ATOM 0 HG13 VAL A 78 -1.890 -10.383 -6.103 1.00 21.42 H new ATOM 0 HG21 VAL A 78 0.799 -9.708 -4.755 1.00 22.34 H new ATOM 0 HG22 VAL A 78 -0.684 -10.029 -3.825 1.00 22.34 H new ATOM 0 HG23 VAL A 78 0.790 -10.973 -3.503 1.00 22.34 H new ATOM 1151 N LEU A 79 -0.213 -14.917 -4.270 1.00 70.32 N ATOM 1152 CA LEU A 79 0.500 -15.942 -3.495 1.00 44.44 C ATOM 1153 C LEU A 79 0.042 -16.046 -2.032 1.00 62.14 C ATOM 1154 O LEU A 79 0.783 -16.569 -1.195 1.00 30.51 O ATOM 1155 CB LEU A 79 2.031 -15.750 -3.595 1.00 10.32 C ATOM 1156 CG LEU A 79 2.582 -15.562 -5.019 1.00 63.14 C ATOM 1157 CD1 LEU A 79 4.112 -15.458 -4.962 1.00 52.11 C ATOM 1158 CD2 LEU A 79 2.180 -16.739 -5.919 1.00 63.41 C ATOM 0 H LEU A 79 -0.639 -15.280 -5.123 1.00 70.32 H new ATOM 0 HA LEU A 79 0.238 -16.897 -3.951 1.00 44.44 H new ATOM 0 HB2 LEU A 79 2.311 -14.882 -2.998 1.00 10.32 H new ATOM 0 HB3 LEU A 79 2.519 -16.616 -3.147 1.00 10.32 H new ATOM 0 HG LEU A 79 2.162 -14.648 -5.438 1.00 63.14 H new ATOM 0 HD11 LEU A 79 4.505 -15.325 -5.970 1.00 52.11 H new ATOM 0 HD12 LEU A 79 4.396 -14.605 -4.346 1.00 52.11 H new ATOM 0 HD13 LEU A 79 4.523 -16.370 -4.530 1.00 52.11 H new ATOM 0 HD21 LEU A 79 2.581 -16.584 -6.921 1.00 63.41 H new ATOM 0 HD22 LEU A 79 2.580 -17.665 -5.507 1.00 63.41 H new ATOM 0 HD23 LEU A 79 1.093 -16.804 -5.969 1.00 63.41 H new ATOM 1169 N GLY A 80 -1.168 -15.576 -1.709 1.00 34.54 N ATOM 1170 CA GLY A 80 -1.669 -15.552 -0.340 1.00 34.11 C ATOM 1171 C GLY A 80 -1.616 -14.170 0.317 1.00 44.42 C ATOM 1172 O GLY A 80 -1.769 -14.076 1.530 1.00 61.34 O ATOM 0 H GLY A 80 -1.825 -15.202 -2.394 1.00 34.54 H new ATOM 0 HA2 GLY A 80 -2.700 -15.906 -0.335 1.00 34.11 H new ATOM 0 HA3 GLY A 80 -1.088 -16.252 0.261 1.00 34.11 H new ATOM 1176 N VAL A 81 -1.407 -13.091 -0.443 1.00 43.25 N ATOM 1177 CA VAL A 81 -1.246 -11.730 0.070 1.00 2.33 C ATOM 1178 C VAL A 81 -2.454 -10.869 -0.351 1.00 62.15 C ATOM 1179 O VAL A 81 -2.395 -10.212 -1.394 1.00 11.00 O ATOM 1180 CB VAL A 81 0.094 -11.155 -0.435 1.00 1.14 C ATOM 1181 CG1 VAL A 81 0.375 -9.775 0.166 1.00 4.21 C ATOM 1182 CG2 VAL A 81 1.291 -12.052 -0.087 1.00 71.12 C ATOM 0 H VAL A 81 -1.344 -13.143 -1.460 1.00 43.25 H new ATOM 0 HA VAL A 81 -1.217 -11.731 1.160 1.00 2.33 H new ATOM 0 HB VAL A 81 -0.014 -11.092 -1.518 1.00 1.14 H new ATOM 0 HG11 VAL A 81 1.327 -9.401 -0.212 1.00 4.21 H new ATOM 0 HG12 VAL A 81 -0.423 -9.087 -0.114 1.00 4.21 H new ATOM 0 HG13 VAL A 81 0.421 -9.854 1.252 1.00 4.21 H new ATOM 0 HG21 VAL A 81 2.207 -11.599 -0.466 1.00 71.12 H new ATOM 0 HG22 VAL A 81 1.361 -12.162 0.995 1.00 71.12 H new ATOM 0 HG23 VAL A 81 1.155 -13.033 -0.543 1.00 71.12 H new ATOM 1192 N PRO A 82 -3.570 -10.877 0.395 1.00 62.31 N ATOM 1193 CA PRO A 82 -4.683 -9.963 0.164 1.00 72.13 C ATOM 1194 C PRO A 82 -4.355 -8.550 0.651 1.00 62.51 C ATOM 1195 O PRO A 82 -3.286 -8.322 1.227 1.00 22.22 O ATOM 1196 CB PRO A 82 -5.862 -10.578 0.921 1.00 3.22 C ATOM 1197 CG PRO A 82 -5.179 -11.251 2.112 1.00 14.03 C ATOM 1198 CD PRO A 82 -3.832 -11.707 1.557 1.00 52.41 C ATOM 0 HA PRO A 82 -4.909 -9.848 -0.896 1.00 72.13 H new ATOM 0 HB2 PRO A 82 -6.579 -9.821 1.239 1.00 3.22 H new ATOM 0 HB3 PRO A 82 -6.407 -11.295 0.308 1.00 3.22 H new ATOM 0 HG2 PRO A 82 -5.054 -10.558 2.944 1.00 14.03 H new ATOM 0 HG3 PRO A 82 -5.763 -12.093 2.484 1.00 14.03 H new ATOM 0 HD2 PRO A 82 -3.045 -11.592 2.302 1.00 52.41 H new ATOM 0 HD3 PRO A 82 -3.861 -12.762 1.283 1.00 52.41 H new ATOM 1203 N ILE A 83 -5.273 -7.592 0.460 1.00 73.35 N ATOM 1204 CA ILE A 83 -5.032 -6.189 0.802 1.00 64.24 C ATOM 1205 C ILE A 83 -6.224 -5.535 1.508 1.00 61.14 C ATOM 1206 O ILE A 83 -7.305 -6.116 1.593 1.00 12.14 O ATOM 1207 CB ILE A 83 -4.507 -5.443 -0.451 1.00 30.40 C ATOM 1208 CG1 ILE A 83 -3.968 -4.047 -0.106 1.00 65.21 C ATOM 1209 CG2 ILE A 83 -5.566 -5.289 -1.544 1.00 2.42 C ATOM 1210 CD1 ILE A 83 -2.878 -3.575 -1.056 1.00 3.01 C ATOM 0 H ILE A 83 -6.197 -7.769 0.066 1.00 73.35 H new ATOM 0 HA ILE A 83 -4.248 -6.124 1.556 1.00 64.24 H new ATOM 0 HB ILE A 83 -3.700 -6.070 -0.829 1.00 30.40 H new ATOM 0 HG12 ILE A 83 -4.791 -3.332 -0.123 1.00 65.21 H new ATOM 0 HG13 ILE A 83 -3.576 -4.057 0.911 1.00 65.21 H new ATOM 0 HG21 ILE A 83 -5.137 -4.759 -2.394 1.00 2.42 H new ATOM 0 HG22 ILE A 83 -5.905 -6.274 -1.864 1.00 2.42 H new ATOM 0 HG23 ILE A 83 -6.412 -4.724 -1.154 1.00 2.42 H new ATOM 0 HD11 ILE A 83 -2.540 -2.583 -0.758 1.00 3.01 H new ATOM 0 HD12 ILE A 83 -2.039 -4.270 -1.021 1.00 3.01 H new ATOM 0 HD13 ILE A 83 -3.273 -3.534 -2.071 1.00 3.01 H new ATOM 1221 N ILE A 84 -6.015 -4.335 2.054 1.00 61.55 N ATOM 1222 CA ILE A 84 -6.915 -3.615 2.944 1.00 53.41 C ATOM 1223 C ILE A 84 -7.343 -2.315 2.265 1.00 10.33 C ATOM 1224 O ILE A 84 -6.515 -1.476 1.905 1.00 1.42 O ATOM 1225 CB ILE A 84 -6.199 -3.388 4.298 1.00 50.12 C ATOM 1226 CG1 ILE A 84 -6.125 -4.706 5.091 1.00 2.44 C ATOM 1227 CG2 ILE A 84 -6.808 -2.268 5.155 1.00 4.11 C ATOM 1228 CD1 ILE A 84 -7.432 -5.184 5.735 1.00 22.11 C ATOM 0 H ILE A 84 -5.158 -3.812 1.872 1.00 61.55 H new ATOM 0 HA ILE A 84 -7.821 -4.185 3.149 1.00 53.41 H new ATOM 0 HB ILE A 84 -5.193 -3.049 4.052 1.00 50.12 H new ATOM 0 HG12 ILE A 84 -5.767 -5.488 4.422 1.00 2.44 H new ATOM 0 HG13 ILE A 84 -5.378 -4.592 5.877 1.00 2.44 H new ATOM 0 HG21 ILE A 84 -6.247 -2.176 6.085 1.00 4.11 H new ATOM 0 HG22 ILE A 84 -6.762 -1.326 4.609 1.00 4.11 H new ATOM 0 HG23 ILE A 84 -7.847 -2.507 5.380 1.00 4.11 H new ATOM 0 HD11 ILE A 84 -7.255 -6.120 6.265 1.00 22.11 H new ATOM 0 HD12 ILE A 84 -7.788 -4.431 6.438 1.00 22.11 H new ATOM 0 HD13 ILE A 84 -8.183 -5.342 4.961 1.00 22.11 H new ATOM 1239 N VAL A 85 -8.656 -2.149 2.153 1.00 2.22 N ATOM 1240 CA VAL A 85 -9.374 -0.997 1.625 1.00 65.23 C ATOM 1241 C VAL A 85 -9.015 0.366 2.255 1.00 53.45 C ATOM 1242 O VAL A 85 -9.296 1.394 1.638 1.00 64.41 O ATOM 1243 CB VAL A 85 -10.866 -1.363 1.754 1.00 11.32 C ATOM 1244 CG1 VAL A 85 -11.868 -0.217 1.636 1.00 5.33 C ATOM 1245 CG2 VAL A 85 -11.215 -2.485 0.774 1.00 70.15 C ATOM 0 H VAL A 85 -9.299 -2.880 2.456 1.00 2.22 H new ATOM 0 HA VAL A 85 -9.080 -0.821 0.590 1.00 65.23 H new ATOM 0 HB VAL A 85 -10.974 -1.691 2.788 1.00 11.32 H new ATOM 0 HG11 VAL A 85 -12.880 -0.606 1.744 1.00 5.33 H new ATOM 0 HG12 VAL A 85 -11.676 0.517 2.419 1.00 5.33 H new ATOM 0 HG13 VAL A 85 -11.764 0.258 0.660 1.00 5.33 H new ATOM 0 HG21 VAL A 85 -12.271 -2.738 0.871 1.00 70.15 H new ATOM 0 HG22 VAL A 85 -11.014 -2.154 -0.245 1.00 70.15 H new ATOM 0 HG23 VAL A 85 -10.610 -3.364 0.996 1.00 70.15 H new ATOM 1255 N GLN A 86 -8.382 0.426 3.435 1.00 50.04 N ATOM 1256 CA GLN A 86 -7.971 1.722 3.996 1.00 65.24 C ATOM 1257 C GLN A 86 -7.063 2.491 3.034 1.00 24.10 C ATOM 1258 O GLN A 86 -7.196 3.704 2.900 1.00 64.31 O ATOM 1259 CB GLN A 86 -7.175 1.596 5.301 1.00 12.10 C ATOM 1260 CG GLN A 86 -8.003 1.221 6.525 1.00 23.32 C ATOM 1261 CD GLN A 86 -7.172 1.353 7.798 1.00 5.34 C ATOM 1262 OE1 GLN A 86 -6.892 0.358 8.460 1.00 51.22 O ATOM 1263 NE2 GLN A 86 -6.731 2.559 8.122 1.00 3.23 N ATOM 0 H GLN A 86 -8.148 -0.385 4.008 1.00 50.04 H new ATOM 0 HA GLN A 86 -8.912 2.242 4.176 1.00 65.24 H new ATOM 0 HB2 GLN A 86 -6.396 0.846 5.163 1.00 12.10 H new ATOM 0 HB3 GLN A 86 -6.673 2.544 5.496 1.00 12.10 H new ATOM 0 HG2 GLN A 86 -8.880 1.865 6.589 1.00 23.32 H new ATOM 0 HG3 GLN A 86 -8.366 0.198 6.426 1.00 23.32 H new ATOM 0 HE21 GLN A 86 -6.983 3.365 7.550 1.00 3.23 H new ATOM 0 HE22 GLN A 86 -6.140 2.682 8.944 1.00 3.23 H new ATOM 1270 N ALA A 87 -6.121 1.768 2.417 1.00 30.12 N ATOM 1271 CA ALA A 87 -5.278 2.224 1.319 1.00 33.20 C ATOM 1272 C ALA A 87 -4.631 3.596 1.557 1.00 53.25 C ATOM 1273 O ALA A 87 -4.549 4.406 0.646 1.00 14.23 O ATOM 1274 CB ALA A 87 -6.104 2.149 0.037 1.00 63.34 C ATOM 0 H ALA A 87 -5.921 0.805 2.687 1.00 30.12 H new ATOM 0 HA ALA A 87 -4.413 1.566 1.234 1.00 33.20 H new ATOM 0 HB1 ALA A 87 -5.499 2.485 -0.806 1.00 63.34 H new ATOM 0 HB2 ALA A 87 -6.422 1.120 -0.132 1.00 63.34 H new ATOM 0 HB3 ALA A 87 -6.981 2.789 0.132 1.00 63.34 H new ATOM 1280 N SER A 88 -4.152 3.806 2.787 1.00 44.44 N ATOM 1281 CA SER A 88 -3.648 5.061 3.336 1.00 2.00 C ATOM 1282 C SER A 88 -4.553 6.239 2.963 1.00 74.32 C ATOM 1283 O SER A 88 -4.241 7.042 2.088 1.00 2.34 O ATOM 1284 CB SER A 88 -2.144 5.283 3.093 1.00 34.10 C ATOM 1285 OG SER A 88 -1.464 5.235 4.329 1.00 50.14 O ATOM 0 H SER A 88 -4.105 3.049 3.469 1.00 44.44 H new ATOM 0 HA SER A 88 -3.705 4.986 4.422 1.00 2.00 H new ATOM 0 HB2 SER A 88 -1.755 4.519 2.420 1.00 34.10 H new ATOM 0 HB3 SER A 88 -1.979 6.246 2.610 1.00 34.10 H new ATOM 0 HG SER A 88 -0.505 5.374 4.181 1.00 50.14 H new ATOM 1290 N GLN A 89 -5.703 6.316 3.632 1.00 50.22 N ATOM 1291 CA GLN A 89 -6.608 7.460 3.594 1.00 51.02 C ATOM 1292 C GLN A 89 -5.895 8.811 3.742 1.00 11.42 C ATOM 1293 O GLN A 89 -4.840 8.901 4.371 1.00 45.14 O ATOM 1294 CB GLN A 89 -7.759 7.309 4.585 1.00 21.51 C ATOM 1295 CG GLN A 89 -7.188 7.243 5.987 1.00 52.13 C ATOM 1296 CD GLN A 89 -7.723 6.063 6.783 1.00 44.04 C ATOM 1297 OE1 GLN A 89 -7.364 4.904 6.563 1.00 70.31 O ATOM 1298 NE2 GLN A 89 -8.617 6.339 7.705 1.00 2.03 N ATOM 0 H GLN A 89 -6.038 5.562 4.232 1.00 50.22 H new ATOM 0 HA GLN A 89 -7.037 7.463 2.592 1.00 51.02 H new ATOM 0 HB2 GLN A 89 -8.447 8.150 4.496 1.00 21.51 H new ATOM 0 HB3 GLN A 89 -8.330 6.406 4.367 1.00 21.51 H new ATOM 0 HG2 GLN A 89 -6.102 7.175 5.930 1.00 52.13 H new ATOM 0 HG3 GLN A 89 -7.422 8.168 6.514 1.00 52.13 H new ATOM 0 HE21 GLN A 89 -8.899 7.306 7.869 1.00 2.03 H new ATOM 0 HE22 GLN A 89 -9.030 5.587 8.257 1.00 2.03 H new ATOM 1305 N ALA A 90 -6.528 9.871 3.238 1.00 43.03 N ATOM 1306 CA ALA A 90 -5.980 11.221 3.289 1.00 4.23 C ATOM 1307 C ALA A 90 -6.270 11.897 4.637 1.00 72.12 C ATOM 1308 O ALA A 90 -6.890 12.959 4.671 1.00 11.33 O ATOM 1309 CB ALA A 90 -6.535 12.040 2.114 1.00 64.42 C ATOM 0 H ALA A 90 -7.439 9.814 2.782 1.00 43.03 H new ATOM 0 HA ALA A 90 -4.895 11.165 3.198 1.00 4.23 H new ATOM 0 HB1 ALA A 90 -6.127 13.050 2.150 1.00 64.42 H new ATOM 0 HB2 ALA A 90 -6.251 11.567 1.174 1.00 64.42 H new ATOM 0 HB3 ALA A 90 -7.622 12.085 2.183 1.00 64.42 H new ATOM 1315 N GLU A 91 -5.879 11.261 5.750 1.00 24.40 N ATOM 1316 CA GLU A 91 -6.054 11.751 7.126 1.00 23.10 C ATOM 1317 C GLU A 91 -7.515 11.673 7.612 1.00 43.01 C ATOM 1318 O GLU A 91 -7.851 12.088 8.726 1.00 5.22 O ATOM 1319 CB GLU A 91 -5.431 13.157 7.249 1.00 43.32 C ATOM 1320 CG GLU A 91 -4.989 13.521 8.667 1.00 23.42 C ATOM 1321 CD GLU A 91 -4.316 14.897 8.734 1.00 30.21 C ATOM 1322 OE1 GLU A 91 -4.683 15.819 7.966 1.00 31.51 O ATOM 1323 OE2 GLU A 91 -3.412 15.098 9.580 1.00 23.25 O ATOM 0 H GLU A 91 -5.413 10.354 5.716 1.00 24.40 H new ATOM 0 HA GLU A 91 -5.520 11.087 7.806 1.00 23.10 H new ATOM 0 HB2 GLU A 91 -4.570 13.221 6.584 1.00 43.32 H new ATOM 0 HB3 GLU A 91 -6.155 13.895 6.905 1.00 43.32 H new ATOM 0 HG2 GLU A 91 -5.855 13.511 9.329 1.00 23.42 H new ATOM 0 HG3 GLU A 91 -4.298 12.763 9.035 1.00 23.42 H new ATOM 1328 N LYS A 92 -8.393 11.107 6.782 1.00 11.43 N ATOM 1329 CA LYS A 92 -9.844 11.115 6.957 1.00 32.33 C ATOM 1330 C LYS A 92 -10.323 9.877 7.715 1.00 51.43 C ATOM 1331 O LYS A 92 -9.549 8.989 8.069 1.00 45.42 O ATOM 1332 CB LYS A 92 -10.593 11.258 5.609 1.00 3.44 C ATOM 1333 CG LYS A 92 -9.918 12.174 4.570 1.00 51.05 C ATOM 1334 CD LYS A 92 -10.864 12.654 3.456 1.00 1.21 C ATOM 1335 CE LYS A 92 -11.738 13.802 3.973 1.00 50.03 C ATOM 1336 NZ LYS A 92 -12.740 14.269 2.992 1.00 43.01 N ATOM 0 H LYS A 92 -8.101 10.613 5.939 1.00 11.43 H new ATOM 0 HA LYS A 92 -10.082 11.993 7.557 1.00 32.33 H new ATOM 0 HB2 LYS A 92 -10.711 10.267 5.172 1.00 3.44 H new ATOM 0 HB3 LYS A 92 -11.594 11.640 5.808 1.00 3.44 H new ATOM 0 HG2 LYS A 92 -9.503 13.043 5.081 1.00 51.05 H new ATOM 0 HG3 LYS A 92 -9.082 11.641 4.118 1.00 51.05 H new ATOM 0 HD2 LYS A 92 -10.286 12.985 2.594 1.00 1.21 H new ATOM 0 HD3 LYS A 92 -11.493 11.829 3.120 1.00 1.21 H new ATOM 0 HE2 LYS A 92 -12.251 13.478 4.878 1.00 50.03 H new ATOM 0 HE3 LYS A 92 -11.097 14.638 4.252 1.00 50.03 H new ATOM 0 HZ1 LYS A 92 -13.296 15.045 3.406 1.00 43.01 H new ATOM 0 HZ2 LYS A 92 -12.256 14.608 2.136 1.00 43.01 H new ATOM 0 HZ3 LYS A 92 -13.374 13.483 2.743 1.00 43.01 H new ATOM 1346 N ASN A 93 -11.645 9.793 7.845 1.00 65.25 N ATOM 1347 CA ASN A 93 -12.449 8.860 8.618 1.00 22.24 C ATOM 1348 C ASN A 93 -12.189 9.035 10.109 1.00 23.44 C ATOM 1349 O ASN A 93 -11.197 8.524 10.633 1.00 32.11 O ATOM 1350 CB ASN A 93 -12.353 7.391 8.176 1.00 50.12 C ATOM 1351 CG ASN A 93 -13.244 6.514 9.056 1.00 10.14 C ATOM 1352 OD1 ASN A 93 -14.209 6.975 9.662 1.00 72.11 O ATOM 1353 ND2 ASN A 93 -12.986 5.224 9.143 1.00 14.10 N ATOM 0 H ASN A 93 -12.244 10.456 7.352 1.00 65.25 H new ATOM 0 HA ASN A 93 -13.486 9.123 8.408 1.00 22.24 H new ATOM 0 HB2 ASN A 93 -12.655 7.297 7.133 1.00 50.12 H new ATOM 0 HB3 ASN A 93 -11.319 7.051 8.240 1.00 50.12 H new ATOM 0 HD21 ASN A 93 -13.584 4.621 9.708 1.00 14.10 H new ATOM 0 HD22 ASN A 93 -12.188 4.829 8.645 1.00 14.10 H new ATOM 1359 N ARG A 94 -13.124 9.724 10.774 1.00 71.32 N ATOM 1360 CA ARG A 94 -13.000 10.264 12.124 1.00 53.41 C ATOM 1361 C ARG A 94 -11.913 11.328 12.145 1.00 25.44 C ATOM 1362 O ARG A 94 -11.726 11.922 13.223 1.00 11.24 O ATOM 1363 CB ARG A 94 -12.803 9.130 13.156 1.00 54.22 C ATOM 1364 CG ARG A 94 -13.641 9.249 14.437 1.00 21.44 C ATOM 1365 CD ARG A 94 -13.038 10.172 15.503 1.00 43.14 C ATOM 1366 NE ARG A 94 -13.796 10.096 16.763 1.00 52.21 N ATOM 1367 CZ ARG A 94 -13.636 9.217 17.759 1.00 5.44 C ATOM 1368 NH1 ARG A 94 -12.705 8.267 17.724 1.00 24.14 N ATOM 1369 NH2 ARG A 94 -14.453 9.275 18.804 1.00 3.31 N ATOM 0 H ARG A 94 -14.033 9.928 10.359 1.00 71.32 H new ATOM 0 HA ARG A 94 -13.925 10.758 12.422 1.00 53.41 H new ATOM 0 HB2 ARG A 94 -13.038 8.180 12.676 1.00 54.22 H new ATOM 0 HB3 ARG A 94 -11.750 9.094 13.434 1.00 54.22 H new ATOM 0 HG2 ARG A 94 -14.633 9.616 14.175 1.00 21.44 H new ATOM 0 HG3 ARG A 94 -13.771 8.255 14.865 1.00 21.44 H new ATOM 0 HD2 ARG A 94 -11.999 9.894 15.683 1.00 43.14 H new ATOM 0 HD3 ARG A 94 -13.035 11.199 15.139 1.00 43.14 H new ATOM 0 HE ARG A 94 -14.528 10.795 16.892 1.00 52.21 H new ATOM 0 HH11 ARG A 94 -12.084 8.191 16.919 1.00 24.14 H new ATOM 0 HH12 ARG A 94 -12.613 7.614 18.502 1.00 24.14 H new ATOM 0 HH21 ARG A 94 -15.188 9.982 18.838 1.00 3.31 H new ATOM 0 HH22 ARG A 94 -14.346 8.613 19.573 1.00 3.31 H new TER 1380 ARG A 94