USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 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 48 GLN : amide:sc= 0 K(o=-0.0072,f=-0.56) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -170:sc=-0.00721 (180deg=-0.122) USER MOD Single : A 9 THR OG1 : rot -152:sc= 0.495 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00106) USER MOD Single : A 20 LYS NZ :NH3+ -113:sc=-0.00263 (180deg=-0.399) USER MOD Single : A 23 GLN : amide:sc= -0.0779 X(o=-0.078,f=-0.29) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -41:sc= 0.265 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= -1.04 (180deg=-2.24!) USER MOD Single : A 43 GLN : amide:sc= -1.03 K(o=-1,f=-0.43) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0628) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000341) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0285 (180deg=-0.267) USER MOD Single : A 61 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.22) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= -0.447 (180deg=-0.526) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 68 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.0095) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc=-0.00747 X(o=-0.0075,f=-0.25) USER MOD Single : A 82 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.057) USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00271) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 1.327 9.687 -7.032 1.00 65.40 N ATOM 28 CA ARG A 3 0.237 8.712 -6.810 1.00 32.42 C ATOM 29 C ARG A 3 0.432 7.925 -5.505 1.00 61.21 C ATOM 30 O ARG A 3 1.568 7.658 -5.083 1.00 53.24 O ATOM 31 CB ARG A 3 0.126 7.726 -8.013 1.00 2.31 C ATOM 32 CG ARG A 3 1.392 6.877 -8.273 1.00 61.11 C ATOM 33 CD ARG A 3 1.215 5.885 -9.427 1.00 31.11 C ATOM 34 NE ARG A 3 0.193 4.861 -9.142 1.00 52.55 N ATOM 35 CZ ARG A 3 -0.325 4.008 -10.047 1.00 35.21 C ATOM 36 NH1 ARG A 3 0.070 4.031 -11.321 1.00 12.14 N ATOM 37 NH2 ARG A 3 -1.236 3.130 -9.666 1.00 13.04 N ATOM 0 HA ARG A 3 -0.690 9.280 -6.726 1.00 32.42 H new ATOM 0 HB2 ARG A 3 -0.715 7.055 -7.839 1.00 2.31 H new ATOM 0 HB3 ARG A 3 -0.103 8.297 -8.913 1.00 2.31 H new ATOM 0 HG2 ARG A 3 2.229 7.539 -8.494 1.00 61.11 H new ATOM 0 HG3 ARG A 3 1.650 6.330 -7.366 1.00 61.11 H new ATOM 0 HD2 ARG A 3 0.937 6.429 -10.330 1.00 31.11 H new ATOM 0 HD3 ARG A 3 2.168 5.396 -9.630 1.00 31.11 H new ATOM 0 HE ARG A 3 -0.149 4.793 -8.183 1.00 52.55 H new ATOM 0 HH11 ARG A 3 0.776 4.702 -11.624 1.00 12.14 H new ATOM 0 HH12 ARG A 3 -0.334 3.377 -11.992 1.00 12.14 H new ATOM 0 HH21 ARG A 3 -1.542 3.102 -8.693 1.00 13.04 H new ATOM 0 HH22 ARG A 3 -1.634 2.480 -10.345 1.00 13.04 H new ATOM 51 N LEU A 4 -0.690 7.576 -4.870 1.00 34.13 N ATOM 52 CA LEU A 4 -0.696 6.821 -3.622 1.00 22.23 C ATOM 53 C LEU A 4 -1.137 5.379 -3.905 1.00 32.32 C ATOM 54 O LEU A 4 -2.300 5.133 -4.255 1.00 22.23 O ATOM 55 CB LEU A 4 -1.638 7.500 -2.592 1.00 63.35 C ATOM 56 CG LEU A 4 -1.430 7.071 -1.108 1.00 1.23 C ATOM 57 CD1 LEU A 4 -0.016 7.450 -0.628 1.00 0.42 C ATOM 58 CD2 LEU A 4 -2.515 7.670 -0.190 1.00 62.04 C ATOM 0 H LEU A 4 -1.622 7.812 -5.212 1.00 34.13 H new ATOM 0 HA LEU A 4 0.308 6.804 -3.197 1.00 22.23 H new ATOM 0 HB2 LEU A 4 -1.506 8.580 -2.662 1.00 63.35 H new ATOM 0 HB3 LEU A 4 -2.669 7.286 -2.873 1.00 63.35 H new ATOM 0 HG LEU A 4 -1.526 5.987 -1.054 1.00 1.23 H new ATOM 0 HD11 LEU A 4 0.110 7.143 0.410 1.00 0.42 H new ATOM 0 HD12 LEU A 4 0.726 6.947 -1.248 1.00 0.42 H new ATOM 0 HD13 LEU A 4 0.118 8.529 -0.706 1.00 0.42 H new ATOM 0 HD21 LEU A 4 -2.339 7.351 0.837 1.00 62.04 H new ATOM 0 HD22 LEU A 4 -2.477 8.758 -0.243 1.00 62.04 H new ATOM 0 HD23 LEU A 4 -3.497 7.325 -0.514 1.00 62.04 H new ATOM 70 N VAL A 5 -0.189 4.440 -3.784 1.00 41.33 N ATOM 71 CA VAL A 5 -0.456 3.002 -3.917 1.00 61.31 C ATOM 72 C VAL A 5 -0.603 2.402 -2.515 1.00 53.40 C ATOM 73 O VAL A 5 0.371 2.295 -1.767 1.00 33.30 O ATOM 74 CB VAL A 5 0.669 2.259 -4.741 1.00 10.04 C ATOM 75 CG1 VAL A 5 0.453 0.721 -4.758 1.00 22.23 C ATOM 76 CG2 VAL A 5 0.740 2.816 -6.184 1.00 4.20 C ATOM 0 H VAL A 5 0.789 4.658 -3.590 1.00 41.33 H new ATOM 0 HA VAL A 5 -1.381 2.866 -4.478 1.00 61.31 H new ATOM 0 HB VAL A 5 1.620 2.448 -4.243 1.00 10.04 H new ATOM 0 HG11 VAL A 5 1.248 0.248 -5.335 1.00 22.23 H new ATOM 0 HG12 VAL A 5 0.470 0.340 -3.737 1.00 22.23 H new ATOM 0 HG13 VAL A 5 -0.511 0.494 -5.214 1.00 22.23 H new ATOM 0 HG21 VAL A 5 1.520 2.293 -6.738 1.00 4.20 H new ATOM 0 HG22 VAL A 5 -0.219 2.666 -6.679 1.00 4.20 H new ATOM 0 HG23 VAL A 5 0.969 3.881 -6.152 1.00 4.20 H new ATOM 86 N VAL A 6 -1.840 2.046 -2.155 1.00 74.53 N ATOM 87 CA VAL A 6 -2.169 1.509 -0.832 1.00 23.15 C ATOM 88 C VAL A 6 -2.162 -0.026 -0.902 1.00 53.43 C ATOM 89 O VAL A 6 -3.088 -0.637 -1.424 1.00 42.22 O ATOM 90 CB VAL A 6 -3.566 2.043 -0.336 1.00 20.33 C ATOM 91 CG1 VAL A 6 -3.954 1.453 1.039 1.00 22.33 C ATOM 92 CG2 VAL A 6 -3.593 3.591 -0.308 1.00 34.04 C ATOM 0 H VAL A 6 -2.645 2.123 -2.777 1.00 74.53 H new ATOM 0 HA VAL A 6 -1.422 1.843 -0.112 1.00 23.15 H new ATOM 0 HB VAL A 6 -4.314 1.705 -1.053 1.00 20.33 H new ATOM 0 HG11 VAL A 6 -4.923 1.847 1.344 1.00 22.33 H new ATOM 0 HG12 VAL A 6 -4.011 0.367 0.966 1.00 22.33 H new ATOM 0 HG13 VAL A 6 -3.202 1.728 1.778 1.00 22.33 H new ATOM 0 HG21 VAL A 6 -4.569 3.932 0.038 1.00 34.04 H new ATOM 0 HG22 VAL A 6 -2.820 3.956 0.368 1.00 34.04 H new ATOM 0 HG23 VAL A 6 -3.409 3.976 -1.311 1.00 34.04 H new ATOM 102 N VAL A 7 -1.086 -0.644 -0.418 1.00 12.12 N ATOM 103 CA VAL A 7 -0.953 -2.105 -0.400 1.00 64.02 C ATOM 104 C VAL A 7 -1.615 -2.668 0.869 1.00 73.54 C ATOM 105 O VAL A 7 -1.215 -2.335 1.981 1.00 40.51 O ATOM 106 CB VAL A 7 0.548 -2.534 -0.463 1.00 73.02 C ATOM 107 CG1 VAL A 7 0.711 -4.069 -0.500 1.00 53.13 C ATOM 108 CG2 VAL A 7 1.264 -1.860 -1.651 1.00 34.15 C ATOM 0 H VAL A 7 -0.283 -0.151 -0.028 1.00 12.12 H new ATOM 0 HA VAL A 7 -1.454 -2.509 -1.280 1.00 64.02 H new ATOM 0 HB VAL A 7 1.024 -2.190 0.455 1.00 73.02 H new ATOM 0 HG11 VAL A 7 1.770 -4.321 -0.543 1.00 53.13 H new ATOM 0 HG12 VAL A 7 0.271 -4.503 0.398 1.00 53.13 H new ATOM 0 HG13 VAL A 7 0.207 -4.467 -1.380 1.00 53.13 H new ATOM 0 HG21 VAL A 7 2.307 -2.175 -1.673 1.00 34.15 H new ATOM 0 HG22 VAL A 7 0.777 -2.151 -2.582 1.00 34.15 H new ATOM 0 HG23 VAL A 7 1.214 -0.777 -1.539 1.00 34.15 H new ATOM 118 N VAL A 8 -2.616 -3.532 0.678 1.00 42.31 N ATOM 119 CA VAL A 8 -3.384 -4.154 1.769 1.00 73.11 C ATOM 120 C VAL A 8 -3.174 -5.669 1.744 1.00 52.43 C ATOM 121 O VAL A 8 -2.868 -6.242 0.693 1.00 61.31 O ATOM 122 CB VAL A 8 -4.920 -3.836 1.659 1.00 13.02 C ATOM 123 CG1 VAL A 8 -5.188 -2.321 1.813 1.00 41.43 C ATOM 124 CG2 VAL A 8 -5.515 -4.377 0.337 1.00 71.40 C ATOM 0 H VAL A 8 -2.923 -3.825 -0.250 1.00 42.31 H new ATOM 0 HA VAL A 8 -3.023 -3.738 2.710 1.00 73.11 H new ATOM 0 HB VAL A 8 -5.422 -4.349 2.479 1.00 13.02 H new ATOM 0 HG11 VAL A 8 -6.258 -2.131 1.733 1.00 41.43 H new ATOM 0 HG12 VAL A 8 -4.832 -1.986 2.787 1.00 41.43 H new ATOM 0 HG13 VAL A 8 -4.663 -1.777 1.028 1.00 41.43 H new ATOM 0 HG21 VAL A 8 -6.578 -4.140 0.293 1.00 71.40 H new ATOM 0 HG22 VAL A 8 -5.005 -3.914 -0.508 1.00 71.40 H new ATOM 0 HG23 VAL A 8 -5.382 -5.458 0.294 1.00 71.40 H new ATOM 134 N THR A 9 -3.330 -6.311 2.901 1.00 61.12 N ATOM 135 CA THR A 9 -3.209 -7.774 3.042 1.00 13.04 C ATOM 136 C THR A 9 -4.589 -8.471 3.089 1.00 23.31 C ATOM 137 O THR A 9 -4.670 -9.701 3.211 1.00 32.44 O ATOM 138 CB THR A 9 -2.383 -8.096 4.324 1.00 70.54 C ATOM 139 OG1 THR A 9 -2.934 -7.371 5.439 1.00 73.14 O ATOM 140 CG2 THR A 9 -0.893 -7.730 4.156 1.00 54.22 C ATOM 0 H THR A 9 -3.545 -5.834 3.776 1.00 61.12 H new ATOM 0 HA THR A 9 -2.694 -8.162 2.164 1.00 13.04 H new ATOM 0 HB THR A 9 -2.443 -9.170 4.502 1.00 70.54 H new ATOM 0 HG1 THR A 9 -2.229 -7.198 6.097 1.00 73.14 H new ATOM 0 HG21 THR A 9 -0.354 -7.970 5.072 1.00 54.22 H new ATOM 0 HG22 THR A 9 -0.470 -8.297 3.327 1.00 54.22 H new ATOM 0 HG23 THR A 9 -0.801 -6.664 3.950 1.00 54.22 H new ATOM 148 N SER A 10 -5.676 -7.685 2.977 1.00 43.01 N ATOM 149 CA SER A 10 -7.058 -8.204 2.984 1.00 3.30 C ATOM 150 C SER A 10 -7.896 -7.473 1.923 1.00 12.32 C ATOM 151 O SER A 10 -7.823 -6.247 1.807 1.00 65.23 O ATOM 152 CB SER A 10 -7.691 -8.038 4.392 1.00 73.14 C ATOM 153 OG SER A 10 -6.925 -8.709 5.382 1.00 11.34 O ATOM 0 H SER A 10 -5.622 -6.671 2.879 1.00 43.01 H new ATOM 0 HA SER A 10 -7.039 -9.267 2.743 1.00 3.30 H new ATOM 0 HB2 SER A 10 -7.762 -6.979 4.639 1.00 73.14 H new ATOM 0 HB3 SER A 10 -8.707 -8.432 4.386 1.00 73.14 H new ATOM 0 HG SER A 10 -7.345 -8.587 6.259 1.00 11.34 H new ATOM 159 N GLU A 11 -8.679 -8.248 1.142 1.00 3.14 N ATOM 160 CA GLU A 11 -9.573 -7.719 0.090 1.00 52.01 C ATOM 161 C GLU A 11 -10.703 -6.889 0.713 1.00 41.42 C ATOM 162 O GLU A 11 -11.253 -5.999 0.077 1.00 74.23 O ATOM 163 CB GLU A 11 -10.146 -8.879 -0.763 1.00 23.21 C ATOM 164 CG GLU A 11 -10.926 -8.435 -2.026 1.00 40.14 C ATOM 165 CD GLU A 11 -11.397 -9.616 -2.885 1.00 72.23 C ATOM 166 OE1 GLU A 11 -10.589 -10.150 -3.672 1.00 44.31 O ATOM 167 OE2 GLU A 11 -12.569 -10.034 -2.763 1.00 71.11 O ATOM 0 H GLU A 11 -8.709 -9.264 1.224 1.00 3.14 H new ATOM 0 HA GLU A 11 -8.994 -7.067 -0.564 1.00 52.01 H new ATOM 0 HB2 GLU A 11 -9.324 -9.526 -1.070 1.00 23.21 H new ATOM 0 HB3 GLU A 11 -10.807 -9.479 -0.137 1.00 23.21 H new ATOM 0 HG2 GLU A 11 -11.791 -7.845 -1.723 1.00 40.14 H new ATOM 0 HG3 GLU A 11 -10.292 -7.785 -2.628 1.00 40.14 H new ATOM 174 N GLN A 12 -11.010 -7.191 1.983 1.00 43.21 N ATOM 175 CA GLN A 12 -11.966 -6.429 2.797 1.00 10.40 C ATOM 176 C GLN A 12 -11.478 -4.973 2.934 1.00 22.24 C ATOM 177 O GLN A 12 -12.269 -4.035 2.865 1.00 74.23 O ATOM 178 CB GLN A 12 -12.141 -7.095 4.194 1.00 55.12 C ATOM 179 CG GLN A 12 -12.789 -8.508 4.191 1.00 54.15 C ATOM 180 CD GLN A 12 -11.946 -9.603 3.504 1.00 74.40 C ATOM 181 OE1 GLN A 12 -12.081 -9.877 2.309 1.00 33.24 O ATOM 182 NE2 GLN A 12 -11.063 -10.228 4.256 1.00 23.11 N ATOM 0 H GLN A 12 -10.596 -7.981 2.479 1.00 43.21 H new ATOM 0 HA GLN A 12 -12.939 -6.427 2.306 1.00 10.40 H new ATOM 0 HB2 GLN A 12 -11.162 -7.166 4.668 1.00 55.12 H new ATOM 0 HB3 GLN A 12 -12.749 -6.438 4.816 1.00 55.12 H new ATOM 0 HG2 GLN A 12 -12.979 -8.808 5.222 1.00 54.15 H new ATOM 0 HG3 GLN A 12 -13.757 -8.448 3.693 1.00 54.15 H new ATOM 0 HE21 GLN A 12 -10.969 -9.984 5.242 1.00 23.11 H new ATOM 0 HE22 GLN A 12 -10.473 -10.956 3.852 1.00 23.11 H new ATOM 191 N LEU A 13 -10.142 -4.826 3.079 1.00 34.22 N ATOM 192 CA LEU A 13 -9.459 -3.522 3.159 1.00 70.21 C ATOM 193 C LEU A 13 -9.260 -2.903 1.763 1.00 72.43 C ATOM 194 O LEU A 13 -9.213 -1.683 1.639 1.00 50.52 O ATOM 195 CB LEU A 13 -8.089 -3.678 3.871 1.00 42.12 C ATOM 196 CG LEU A 13 -8.141 -4.215 5.333 1.00 2.11 C ATOM 197 CD1 LEU A 13 -6.723 -4.408 5.911 1.00 75.22 C ATOM 198 CD2 LEU A 13 -8.995 -3.297 6.227 1.00 1.23 C ATOM 0 H LEU A 13 -9.504 -5.619 3.144 1.00 34.22 H new ATOM 0 HA LEU A 13 -10.092 -2.849 3.738 1.00 70.21 H new ATOM 0 HB2 LEU A 13 -7.468 -4.350 3.279 1.00 42.12 H new ATOM 0 HB3 LEU A 13 -7.592 -2.708 3.878 1.00 42.12 H new ATOM 0 HG LEU A 13 -8.618 -5.195 5.313 1.00 2.11 H new ATOM 0 HD11 LEU A 13 -6.794 -4.783 6.932 1.00 75.22 H new ATOM 0 HD12 LEU A 13 -6.175 -5.124 5.299 1.00 75.22 H new ATOM 0 HD13 LEU A 13 -6.197 -3.453 5.911 1.00 75.22 H new ATOM 0 HD21 LEU A 13 -9.015 -3.694 7.242 1.00 1.23 H new ATOM 0 HD22 LEU A 13 -8.564 -2.296 6.237 1.00 1.23 H new ATOM 0 HD23 LEU A 13 -10.011 -3.251 5.835 1.00 1.23 H new ATOM 210 N LYS A 14 -9.127 -3.749 0.723 1.00 3.11 N ATOM 211 CA LYS A 14 -9.016 -3.284 -0.678 1.00 41.52 C ATOM 212 C LYS A 14 -10.291 -2.523 -1.091 1.00 65.42 C ATOM 213 O LYS A 14 -10.235 -1.348 -1.502 1.00 54.14 O ATOM 214 CB LYS A 14 -8.779 -4.483 -1.632 1.00 32.11 C ATOM 215 CG LYS A 14 -8.630 -4.095 -3.122 1.00 73.42 C ATOM 216 CD LYS A 14 -8.820 -5.296 -4.078 1.00 34.14 C ATOM 217 CE LYS A 14 -8.839 -4.868 -5.549 1.00 55.32 C ATOM 218 NZ LYS A 14 -9.309 -5.953 -6.449 1.00 61.52 N ATOM 0 H LYS A 14 -9.093 -4.763 0.825 1.00 3.11 H new ATOM 0 HA LYS A 14 -8.163 -2.609 -0.750 1.00 41.52 H new ATOM 0 HB2 LYS A 14 -7.880 -5.011 -1.315 1.00 32.11 H new ATOM 0 HB3 LYS A 14 -9.610 -5.181 -1.532 1.00 32.11 H new ATOM 0 HG2 LYS A 14 -9.360 -3.324 -3.366 1.00 73.42 H new ATOM 0 HG3 LYS A 14 -7.643 -3.662 -3.283 1.00 73.42 H new ATOM 0 HD2 LYS A 14 -8.015 -6.014 -3.921 1.00 34.14 H new ATOM 0 HD3 LYS A 14 -9.753 -5.805 -3.838 1.00 34.14 H new ATOM 0 HE2 LYS A 14 -9.487 -3.999 -5.663 1.00 55.32 H new ATOM 0 HE3 LYS A 14 -7.837 -4.560 -5.848 1.00 55.32 H new ATOM 0 HZ1 LYS A 14 -9.304 -5.615 -7.432 1.00 61.52 H new ATOM 0 HZ2 LYS A 14 -8.677 -6.774 -6.362 1.00 61.52 H new ATOM 0 HZ3 LYS A 14 -10.275 -6.230 -6.183 1.00 61.52 H new ATOM 232 N GLU A 15 -11.426 -3.220 -0.935 1.00 14.14 N ATOM 233 CA GLU A 15 -12.754 -2.693 -1.243 1.00 61.13 C ATOM 234 C GLU A 15 -13.104 -1.518 -0.324 1.00 51.55 C ATOM 235 O GLU A 15 -13.832 -0.622 -0.730 1.00 62.11 O ATOM 236 CB GLU A 15 -13.825 -3.806 -1.099 1.00 43.31 C ATOM 237 CG GLU A 15 -13.591 -5.063 -1.967 1.00 13.23 C ATOM 238 CD GLU A 15 -13.385 -4.759 -3.461 1.00 14.25 C ATOM 239 OE1 GLU A 15 -14.351 -4.320 -4.126 1.00 71.32 O ATOM 240 OE2 GLU A 15 -12.263 -4.957 -3.980 1.00 62.20 O ATOM 0 H GLU A 15 -11.442 -4.178 -0.586 1.00 14.14 H new ATOM 0 HA GLU A 15 -12.742 -2.338 -2.274 1.00 61.13 H new ATOM 0 HB2 GLU A 15 -13.871 -4.110 -0.053 1.00 43.31 H new ATOM 0 HB3 GLU A 15 -14.798 -3.386 -1.352 1.00 43.31 H new ATOM 0 HG2 GLU A 15 -12.717 -5.595 -1.591 1.00 13.23 H new ATOM 0 HG3 GLU A 15 -14.444 -5.733 -1.857 1.00 13.23 H new ATOM 247 N GLU A 16 -12.572 -1.544 0.919 1.00 32.41 N ATOM 248 CA GLU A 16 -12.807 -0.489 1.912 1.00 51.54 C ATOM 249 C GLU A 16 -12.187 0.832 1.445 1.00 33.22 C ATOM 250 O GLU A 16 -12.904 1.796 1.187 1.00 12.40 O ATOM 251 CB GLU A 16 -12.215 -0.897 3.290 1.00 74.11 C ATOM 252 CG GLU A 16 -12.561 0.051 4.460 1.00 4.24 C ATOM 253 CD GLU A 16 -14.073 0.126 4.742 1.00 11.45 C ATOM 254 OE1 GLU A 16 -14.657 -0.906 5.136 1.00 23.14 O ATOM 255 OE2 GLU A 16 -14.687 1.202 4.555 1.00 21.35 O ATOM 0 H GLU A 16 -11.971 -2.297 1.254 1.00 32.41 H new ATOM 0 HA GLU A 16 -13.883 -0.353 2.020 1.00 51.54 H new ATOM 0 HB2 GLU A 16 -12.568 -1.898 3.538 1.00 74.11 H new ATOM 0 HB3 GLU A 16 -11.130 -0.955 3.199 1.00 74.11 H new ATOM 0 HG2 GLU A 16 -12.045 -0.286 5.359 1.00 4.24 H new ATOM 0 HG3 GLU A 16 -12.188 1.050 4.234 1.00 4.24 H new ATOM 262 N VAL A 17 -10.849 0.831 1.306 1.00 33.43 N ATOM 263 CA VAL A 17 -10.061 2.031 0.975 1.00 23.33 C ATOM 264 C VAL A 17 -10.468 2.636 -0.395 1.00 34.23 C ATOM 265 O VAL A 17 -10.438 3.854 -0.554 1.00 63.10 O ATOM 266 CB VAL A 17 -8.513 1.717 1.026 1.00 55.42 C ATOM 267 CG1 VAL A 17 -7.660 2.950 0.656 1.00 11.02 C ATOM 268 CG2 VAL A 17 -8.097 1.173 2.420 1.00 13.21 C ATOM 0 H VAL A 17 -10.281 -0.008 1.421 1.00 33.43 H new ATOM 0 HA VAL A 17 -10.281 2.784 1.731 1.00 23.33 H new ATOM 0 HB VAL A 17 -8.323 0.946 0.280 1.00 55.42 H new ATOM 0 HG11 VAL A 17 -6.603 2.689 0.704 1.00 11.02 H new ATOM 0 HG12 VAL A 17 -7.908 3.274 -0.355 1.00 11.02 H new ATOM 0 HG13 VAL A 17 -7.866 3.759 1.357 1.00 11.02 H new ATOM 0 HG21 VAL A 17 -7.027 0.966 2.425 1.00 13.21 H new ATOM 0 HG22 VAL A 17 -8.327 1.916 3.184 1.00 13.21 H new ATOM 0 HG23 VAL A 17 -8.645 0.255 2.631 1.00 13.21 H new ATOM 278 N ARG A 18 -10.879 1.784 -1.364 1.00 72.53 N ATOM 279 CA ARG A 18 -11.373 2.265 -2.681 1.00 73.35 C ATOM 280 C ARG A 18 -12.841 2.736 -2.625 1.00 51.42 C ATOM 281 O ARG A 18 -13.248 3.562 -3.448 1.00 24.53 O ATOM 282 CB ARG A 18 -11.166 1.199 -3.790 1.00 13.51 C ATOM 283 CG ARG A 18 -9.683 0.958 -4.112 1.00 32.35 C ATOM 284 CD ARG A 18 -9.436 -0.041 -5.252 1.00 73.44 C ATOM 285 NE ARG A 18 -9.954 0.412 -6.559 1.00 0.41 N ATOM 286 CZ ARG A 18 -9.406 1.372 -7.337 1.00 70.22 C ATOM 287 NH1 ARG A 18 -8.317 2.032 -6.957 1.00 75.34 N ATOM 288 NH2 ARG A 18 -9.937 1.628 -8.521 1.00 1.33 N ATOM 0 H ARG A 18 -10.880 0.769 -1.263 1.00 72.53 H new ATOM 0 HA ARG A 18 -10.772 3.137 -2.938 1.00 73.35 H new ATOM 0 HB2 ARG A 18 -11.622 0.260 -3.476 1.00 13.51 H new ATOM 0 HB3 ARG A 18 -11.683 1.517 -4.695 1.00 13.51 H new ATOM 0 HG2 ARG A 18 -9.221 1.910 -4.373 1.00 32.35 H new ATOM 0 HG3 ARG A 18 -9.183 0.597 -3.214 1.00 32.35 H new ATOM 0 HD2 ARG A 18 -8.365 -0.223 -5.339 1.00 73.44 H new ATOM 0 HD3 ARG A 18 -9.901 -0.993 -4.997 1.00 73.44 H new ATOM 0 HE ARG A 18 -10.800 -0.040 -6.905 1.00 0.41 H new ATOM 0 HH11 ARG A 18 -7.877 1.818 -6.062 1.00 75.34 H new ATOM 0 HH12 ARG A 18 -7.921 2.753 -7.560 1.00 75.34 H new ATOM 0 HH21 ARG A 18 -10.752 1.103 -8.839 1.00 1.33 H new ATOM 0 HH22 ARG A 18 -9.532 2.350 -9.116 1.00 1.33 H new ATOM 302 N LYS A 19 -13.638 2.210 -1.676 1.00 12.31 N ATOM 303 CA LYS A 19 -15.028 2.689 -1.450 1.00 12.31 C ATOM 304 C LYS A 19 -14.997 4.120 -0.883 1.00 13.42 C ATOM 305 O LYS A 19 -15.757 4.994 -1.308 1.00 14.11 O ATOM 306 CB LYS A 19 -15.781 1.756 -0.465 1.00 63.52 C ATOM 307 CG LYS A 19 -17.256 2.150 -0.188 1.00 12.11 C ATOM 308 CD LYS A 19 -17.911 1.303 0.925 1.00 72.21 C ATOM 309 CE LYS A 19 -17.953 -0.200 0.604 1.00 4.12 C ATOM 310 NZ LYS A 19 -18.800 -0.505 -0.580 1.00 1.41 N ATOM 0 H LYS A 19 -13.351 1.456 -1.052 1.00 12.31 H new ATOM 0 HA LYS A 19 -15.554 2.682 -2.404 1.00 12.31 H new ATOM 0 HB2 LYS A 19 -15.760 0.741 -0.861 1.00 63.52 H new ATOM 0 HB3 LYS A 19 -15.241 1.740 0.482 1.00 63.52 H new ATOM 0 HG2 LYS A 19 -17.298 3.202 0.092 1.00 12.11 H new ATOM 0 HG3 LYS A 19 -17.833 2.041 -1.106 1.00 12.11 H new ATOM 0 HD2 LYS A 19 -17.363 1.453 1.855 1.00 72.21 H new ATOM 0 HD3 LYS A 19 -18.927 1.660 1.092 1.00 72.21 H new ATOM 0 HE2 LYS A 19 -16.939 -0.558 0.424 1.00 4.12 H new ATOM 0 HE3 LYS A 19 -18.334 -0.743 1.469 1.00 4.12 H new ATOM 0 HZ1 LYS A 19 -18.809 -1.532 -0.745 1.00 1.41 H new ATOM 0 HZ2 LYS A 19 -19.770 -0.173 -0.407 1.00 1.41 H new ATOM 0 HZ3 LYS A 19 -18.413 -0.024 -1.417 1.00 1.41 H new ATOM 324 N LYS A 20 -14.080 4.323 0.070 1.00 71.15 N ATOM 325 CA LYS A 20 -13.874 5.610 0.749 1.00 74.13 C ATOM 326 C LYS A 20 -13.179 6.597 -0.206 1.00 3.41 C ATOM 327 O LYS A 20 -13.572 7.765 -0.318 1.00 14.14 O ATOM 328 CB LYS A 20 -13.001 5.377 2.009 1.00 34.11 C ATOM 329 CG LYS A 20 -13.551 4.304 2.980 1.00 63.50 C ATOM 330 CD LYS A 20 -12.504 3.849 4.027 1.00 52.53 C ATOM 331 CE LYS A 20 -12.123 4.949 5.019 1.00 50.32 C ATOM 332 NZ LYS A 20 -13.290 5.398 5.828 1.00 40.31 N ATOM 0 H LYS A 20 -13.451 3.589 0.396 1.00 71.15 H new ATOM 0 HA LYS A 20 -14.834 6.032 1.045 1.00 74.13 H new ATOM 0 HB2 LYS A 20 -12.000 5.084 1.693 1.00 34.11 H new ATOM 0 HB3 LYS A 20 -12.903 6.320 2.547 1.00 34.11 H new ATOM 0 HG2 LYS A 20 -14.425 4.701 3.496 1.00 63.50 H new ATOM 0 HG3 LYS A 20 -13.885 3.439 2.407 1.00 63.50 H new ATOM 0 HD2 LYS A 20 -12.898 2.994 4.577 1.00 52.53 H new ATOM 0 HD3 LYS A 20 -11.607 3.509 3.510 1.00 52.53 H new ATOM 0 HE2 LYS A 20 -11.340 4.583 5.683 1.00 50.32 H new ATOM 0 HE3 LYS A 20 -11.709 5.799 4.477 1.00 50.32 H new ATOM 0 HZ1 LYS A 20 -13.528 6.379 5.579 1.00 40.31 H new ATOM 0 HZ2 LYS A 20 -14.106 4.783 5.632 1.00 40.31 H new ATOM 0 HZ3 LYS A 20 -13.052 5.345 6.839 1.00 40.31 H new ATOM 346 N PHE A 21 -12.143 6.089 -0.908 1.00 2.15 N ATOM 347 CA PHE A 21 -11.286 6.886 -1.809 1.00 21.23 C ATOM 348 C PHE A 21 -11.066 6.105 -3.125 1.00 0.20 C ATOM 349 O PHE A 21 -10.127 5.304 -3.222 1.00 1.41 O ATOM 350 CB PHE A 21 -9.904 7.207 -1.152 1.00 72.24 C ATOM 351 CG PHE A 21 -9.959 7.620 0.315 1.00 4.40 C ATOM 352 CD1 PHE A 21 -10.306 8.918 0.692 1.00 12.14 C ATOM 353 CD2 PHE A 21 -9.680 6.699 1.324 1.00 3.24 C ATOM 354 CE1 PHE A 21 -10.352 9.281 2.025 1.00 11.33 C ATOM 355 CE2 PHE A 21 -9.732 7.066 2.649 1.00 10.21 C ATOM 356 CZ PHE A 21 -10.072 8.350 3.000 1.00 0.31 C ATOM 0 H PHE A 21 -11.877 5.105 -0.864 1.00 2.15 H new ATOM 0 HA PHE A 21 -11.789 7.832 -2.011 1.00 21.23 H new ATOM 0 HB2 PHE A 21 -9.265 6.328 -1.241 1.00 72.24 H new ATOM 0 HB3 PHE A 21 -9.428 8.006 -1.720 1.00 72.24 H new ATOM 0 HD1 PHE A 21 -10.542 9.649 -0.068 1.00 12.14 H new ATOM 0 HD2 PHE A 21 -9.420 5.684 1.062 1.00 3.24 H new ATOM 0 HE1 PHE A 21 -10.607 10.293 2.301 1.00 11.33 H new ATOM 0 HE2 PHE A 21 -9.504 6.341 3.417 1.00 10.21 H new ATOM 0 HZ PHE A 21 -10.120 8.629 4.042 1.00 0.31 H new ATOM 366 N PRO A 22 -11.936 6.303 -4.162 1.00 23.23 N ATOM 367 CA PRO A 22 -11.742 5.672 -5.504 1.00 33.00 C ATOM 368 C PRO A 22 -10.559 6.299 -6.286 1.00 4.53 C ATOM 369 O PRO A 22 -10.186 5.833 -7.369 1.00 74.03 O ATOM 370 CB PRO A 22 -13.103 5.932 -6.199 1.00 55.53 C ATOM 371 CG PRO A 22 -13.637 7.183 -5.558 1.00 51.04 C ATOM 372 CD PRO A 22 -13.182 7.131 -4.111 1.00 34.11 C ATOM 0 HA PRO A 22 -11.482 4.615 -5.445 1.00 33.00 H new ATOM 0 HB2 PRO A 22 -12.978 6.062 -7.274 1.00 55.53 H new ATOM 0 HB3 PRO A 22 -13.785 5.094 -6.056 1.00 55.53 H new ATOM 0 HG2 PRO A 22 -13.253 8.073 -6.057 1.00 51.04 H new ATOM 0 HG3 PRO A 22 -14.724 7.224 -5.625 1.00 51.04 H new ATOM 0 HD2 PRO A 22 -12.985 8.128 -3.717 1.00 34.11 H new ATOM 0 HD3 PRO A 22 -13.938 6.678 -3.469 1.00 34.11 H new ATOM 380 N GLN A 23 -9.989 7.355 -5.691 1.00 43.34 N ATOM 381 CA GLN A 23 -8.866 8.134 -6.231 1.00 53.01 C ATOM 382 C GLN A 23 -7.495 7.474 -5.947 1.00 45.22 C ATOM 383 O GLN A 23 -6.506 7.801 -6.613 1.00 0.24 O ATOM 384 CB GLN A 23 -8.916 9.556 -5.614 1.00 14.10 C ATOM 385 CG GLN A 23 -8.911 9.574 -4.066 1.00 43.23 C ATOM 386 CD GLN A 23 -9.099 10.961 -3.461 1.00 5.13 C ATOM 387 OE1 GLN A 23 -8.731 11.965 -4.057 1.00 34.34 O ATOM 388 NE2 GLN A 23 -9.660 11.031 -2.269 1.00 14.24 N ATOM 0 H GLN A 23 -10.309 7.703 -4.787 1.00 43.34 H new ATOM 0 HA GLN A 23 -8.968 8.179 -7.315 1.00 53.01 H new ATOM 0 HB2 GLN A 23 -8.061 10.128 -5.976 1.00 14.10 H new ATOM 0 HB3 GLN A 23 -9.813 10.063 -5.970 1.00 14.10 H new ATOM 0 HG2 GLN A 23 -9.704 8.920 -3.703 1.00 43.23 H new ATOM 0 HG3 GLN A 23 -7.968 9.159 -3.711 1.00 43.23 H new ATOM 0 HE21 GLN A 23 -9.957 10.179 -1.794 1.00 14.24 H new ATOM 0 HE22 GLN A 23 -9.796 11.938 -1.822 1.00 14.24 H new ATOM 397 N VAL A 24 -7.426 6.566 -4.948 1.00 12.10 N ATOM 398 CA VAL A 24 -6.166 5.879 -4.582 1.00 53.35 C ATOM 399 C VAL A 24 -6.172 4.436 -5.112 1.00 60.22 C ATOM 400 O VAL A 24 -7.208 3.757 -5.095 1.00 63.51 O ATOM 401 CB VAL A 24 -5.890 5.900 -3.030 1.00 55.12 C ATOM 402 CG1 VAL A 24 -5.763 7.347 -2.510 1.00 74.12 C ATOM 403 CG2 VAL A 24 -6.961 5.122 -2.240 1.00 73.04 C ATOM 0 H VAL A 24 -8.228 6.292 -4.380 1.00 12.10 H new ATOM 0 HA VAL A 24 -5.352 6.432 -5.052 1.00 53.35 H new ATOM 0 HB VAL A 24 -4.939 5.393 -2.867 1.00 55.12 H new ATOM 0 HG11 VAL A 24 -5.573 7.333 -1.437 1.00 74.12 H new ATOM 0 HG12 VAL A 24 -4.937 7.845 -3.018 1.00 74.12 H new ATOM 0 HG13 VAL A 24 -6.689 7.887 -2.707 1.00 74.12 H new ATOM 0 HG21 VAL A 24 -6.730 5.164 -1.176 1.00 73.04 H new ATOM 0 HG22 VAL A 24 -7.939 5.569 -2.417 1.00 73.04 H new ATOM 0 HG23 VAL A 24 -6.972 4.083 -2.568 1.00 73.04 H new ATOM 413 N GLU A 25 -5.006 3.988 -5.592 1.00 20.15 N ATOM 414 CA GLU A 25 -4.846 2.686 -6.243 1.00 34.05 C ATOM 415 C GLU A 25 -4.384 1.648 -5.221 1.00 34.51 C ATOM 416 O GLU A 25 -3.222 1.629 -4.813 1.00 3.35 O ATOM 417 CB GLU A 25 -3.864 2.819 -7.429 1.00 22.23 C ATOM 418 CG GLU A 25 -4.298 3.866 -8.485 1.00 30.12 C ATOM 419 CD GLU A 25 -5.619 3.525 -9.214 1.00 12.21 C ATOM 420 OE1 GLU A 25 -6.716 3.796 -8.666 1.00 54.22 O ATOM 421 OE2 GLU A 25 -5.570 2.990 -10.340 1.00 72.50 O ATOM 0 H GLU A 25 -4.140 4.525 -5.538 1.00 20.15 H new ATOM 0 HA GLU A 25 -5.801 2.345 -6.642 1.00 34.05 H new ATOM 0 HB2 GLU A 25 -2.880 3.090 -7.046 1.00 22.23 H new ATOM 0 HB3 GLU A 25 -3.761 1.848 -7.914 1.00 22.23 H new ATOM 0 HG2 GLU A 25 -4.406 4.834 -7.996 1.00 30.12 H new ATOM 0 HG3 GLU A 25 -3.504 3.969 -9.225 1.00 30.12 H new ATOM 428 N VAL A 26 -5.326 0.795 -4.804 1.00 34.53 N ATOM 429 CA VAL A 26 -5.128 -0.165 -3.714 1.00 73.41 C ATOM 430 C VAL A 26 -4.818 -1.556 -4.279 1.00 11.41 C ATOM 431 O VAL A 26 -5.626 -2.122 -5.025 1.00 40.41 O ATOM 432 CB VAL A 26 -6.390 -0.218 -2.782 1.00 62.41 C ATOM 433 CG1 VAL A 26 -6.183 -1.189 -1.600 1.00 25.11 C ATOM 434 CG2 VAL A 26 -6.744 1.196 -2.284 1.00 62.24 C ATOM 0 H VAL A 26 -6.257 0.752 -5.219 1.00 34.53 H new ATOM 0 HA VAL A 26 -4.278 0.165 -3.116 1.00 73.41 H new ATOM 0 HB VAL A 26 -7.227 -0.599 -3.367 1.00 62.41 H new ATOM 0 HG11 VAL A 26 -7.077 -1.199 -0.977 1.00 25.11 H new ATOM 0 HG12 VAL A 26 -5.995 -2.192 -1.982 1.00 25.11 H new ATOM 0 HG13 VAL A 26 -5.330 -0.862 -1.005 1.00 25.11 H new ATOM 0 HG21 VAL A 26 -7.621 1.146 -1.639 1.00 62.24 H new ATOM 0 HG22 VAL A 26 -5.904 1.605 -1.723 1.00 62.24 H new ATOM 0 HG23 VAL A 26 -6.958 1.839 -3.137 1.00 62.24 H new ATOM 444 N ARG A 27 -3.639 -2.084 -3.932 1.00 61.53 N ATOM 445 CA ARG A 27 -3.159 -3.393 -4.397 1.00 13.02 C ATOM 446 C ARG A 27 -3.319 -4.443 -3.292 1.00 30.43 C ATOM 447 O ARG A 27 -2.880 -4.233 -2.165 1.00 74.42 O ATOM 448 CB ARG A 27 -1.681 -3.275 -4.844 1.00 21.43 C ATOM 449 CG ARG A 27 -1.479 -2.493 -6.164 1.00 51.11 C ATOM 450 CD ARG A 27 -2.187 -3.170 -7.354 1.00 34.00 C ATOM 451 NE ARG A 27 -1.968 -2.456 -8.617 1.00 12.52 N ATOM 452 CZ ARG A 27 -2.849 -2.372 -9.627 1.00 34.55 C ATOM 453 NH1 ARG A 27 -4.051 -2.945 -9.551 1.00 21.04 N ATOM 454 NH2 ARG A 27 -2.507 -1.727 -10.727 1.00 62.01 N ATOM 0 H ARG A 27 -2.982 -1.609 -3.313 1.00 61.53 H new ATOM 0 HA ARG A 27 -3.756 -3.714 -5.251 1.00 13.02 H new ATOM 0 HB2 ARG A 27 -1.112 -2.785 -4.054 1.00 21.43 H new ATOM 0 HB3 ARG A 27 -1.267 -4.277 -4.961 1.00 21.43 H new ATOM 0 HG2 ARG A 27 -1.860 -1.479 -6.046 1.00 51.11 H new ATOM 0 HG3 ARG A 27 -0.413 -2.410 -6.376 1.00 51.11 H new ATOM 0 HD2 ARG A 27 -1.827 -4.194 -7.452 1.00 34.00 H new ATOM 0 HD3 ARG A 27 -3.257 -3.226 -7.152 1.00 34.00 H new ATOM 0 HE ARG A 27 -1.072 -1.984 -8.738 1.00 12.52 H new ATOM 0 HH11 ARG A 27 -4.318 -3.461 -8.713 1.00 21.04 H new ATOM 0 HH12 ARG A 27 -4.703 -2.867 -10.331 1.00 21.04 H new ATOM 0 HH21 ARG A 27 -1.584 -1.300 -10.802 1.00 62.01 H new ATOM 0 HH22 ARG A 27 -3.166 -1.655 -11.502 1.00 62.01 H new ATOM 468 N LEU A 28 -3.953 -5.573 -3.633 1.00 75.44 N ATOM 469 CA LEU A 28 -4.237 -6.670 -2.694 1.00 44.30 C ATOM 470 C LEU A 28 -3.090 -7.696 -2.674 1.00 13.53 C ATOM 471 O LEU A 28 -2.562 -8.074 -3.719 1.00 50.42 O ATOM 472 CB LEU A 28 -5.563 -7.365 -3.097 1.00 21.43 C ATOM 473 CG LEU A 28 -5.903 -8.696 -2.349 1.00 55.24 C ATOM 474 CD1 LEU A 28 -5.999 -8.489 -0.830 1.00 23.51 C ATOM 475 CD2 LEU A 28 -7.183 -9.332 -2.911 1.00 62.52 C ATOM 0 H LEU A 28 -4.288 -5.755 -4.579 1.00 75.44 H new ATOM 0 HA LEU A 28 -4.331 -6.252 -1.692 1.00 44.30 H new ATOM 0 HB2 LEU A 28 -6.381 -6.663 -2.934 1.00 21.43 H new ATOM 0 HB3 LEU A 28 -5.529 -7.573 -4.167 1.00 21.43 H new ATOM 0 HG LEU A 28 -5.080 -9.389 -2.525 1.00 55.24 H new ATOM 0 HD11 LEU A 28 -6.237 -9.437 -0.348 1.00 23.51 H new ATOM 0 HD12 LEU A 28 -5.046 -8.119 -0.452 1.00 23.51 H new ATOM 0 HD13 LEU A 28 -6.783 -7.764 -0.610 1.00 23.51 H new ATOM 0 HD21 LEU A 28 -7.397 -10.256 -2.373 1.00 62.52 H new ATOM 0 HD22 LEU A 28 -8.017 -8.640 -2.789 1.00 62.52 H new ATOM 0 HD23 LEU A 28 -7.045 -9.552 -3.970 1.00 62.52 H new ATOM 487 N VAL A 29 -2.736 -8.150 -1.464 1.00 75.32 N ATOM 488 CA VAL A 29 -1.783 -9.241 -1.244 1.00 13.23 C ATOM 489 C VAL A 29 -2.487 -10.367 -0.472 1.00 71.11 C ATOM 490 O VAL A 29 -2.747 -10.239 0.725 1.00 41.43 O ATOM 491 CB VAL A 29 -0.514 -8.738 -0.458 1.00 54.43 C ATOM 492 CG1 VAL A 29 0.485 -9.887 -0.172 1.00 2.33 C ATOM 493 CG2 VAL A 29 0.169 -7.584 -1.220 1.00 74.14 C ATOM 0 H VAL A 29 -3.111 -7.762 -0.598 1.00 75.32 H new ATOM 0 HA VAL A 29 -1.440 -9.616 -2.208 1.00 13.23 H new ATOM 0 HB VAL A 29 -0.851 -8.364 0.509 1.00 54.43 H new ATOM 0 HG11 VAL A 29 1.345 -9.495 0.371 1.00 2.33 H new ATOM 0 HG12 VAL A 29 -0.005 -10.654 0.428 1.00 2.33 H new ATOM 0 HG13 VAL A 29 0.819 -10.322 -1.114 1.00 2.33 H new ATOM 0 HG21 VAL A 29 1.044 -7.248 -0.663 1.00 74.14 H new ATOM 0 HG22 VAL A 29 0.478 -7.931 -2.206 1.00 74.14 H new ATOM 0 HG23 VAL A 29 -0.531 -6.756 -1.330 1.00 74.14 H new ATOM 503 N THR A 30 -2.845 -11.446 -1.186 1.00 21.42 N ATOM 504 CA THR A 30 -3.352 -12.695 -0.582 1.00 54.44 C ATOM 505 C THR A 30 -2.212 -13.726 -0.531 1.00 33.32 C ATOM 506 O THR A 30 -2.143 -14.574 0.367 1.00 41.41 O ATOM 507 CB THR A 30 -4.567 -13.262 -1.391 1.00 21.31 C ATOM 508 OG1 THR A 30 -4.238 -13.374 -2.793 1.00 4.12 O ATOM 509 CG2 THR A 30 -5.821 -12.383 -1.226 1.00 24.13 C ATOM 0 H THR A 30 -2.792 -11.480 -2.204 1.00 21.42 H new ATOM 0 HA THR A 30 -3.701 -12.483 0.429 1.00 54.44 H new ATOM 0 HB THR A 30 -4.786 -14.251 -0.990 1.00 21.31 H new ATOM 0 HG1 THR A 30 -5.008 -13.731 -3.282 1.00 4.12 H new ATOM 0 HG21 THR A 30 -6.642 -12.809 -1.802 1.00 24.13 H new ATOM 0 HG22 THR A 30 -6.100 -12.341 -0.173 1.00 24.13 H new ATOM 0 HG23 THR A 30 -5.609 -11.376 -1.586 1.00 24.13 H new ATOM 517 N THR A 31 -1.319 -13.626 -1.527 1.00 63.35 N ATOM 518 CA THR A 31 -0.079 -14.406 -1.618 1.00 43.04 C ATOM 519 C THR A 31 1.082 -13.407 -1.704 1.00 34.12 C ATOM 520 O THR A 31 0.900 -12.316 -2.253 1.00 74.31 O ATOM 521 CB THR A 31 -0.091 -15.349 -2.874 1.00 31.22 C ATOM 522 OG1 THR A 31 -0.278 -14.584 -4.070 1.00 34.14 O ATOM 523 CG2 THR A 31 -1.198 -16.419 -2.784 1.00 41.13 C ATOM 0 H THR A 31 -1.444 -12.984 -2.310 1.00 63.35 H new ATOM 0 HA THR A 31 0.026 -15.048 -0.743 1.00 43.04 H new ATOM 0 HB THR A 31 0.874 -15.855 -2.900 1.00 31.22 H new ATOM 0 HG1 THR A 31 -0.946 -13.885 -3.910 1.00 34.14 H new ATOM 0 HG21 THR A 31 -1.169 -17.048 -3.674 1.00 41.13 H new ATOM 0 HG22 THR A 31 -1.038 -17.034 -1.899 1.00 41.13 H new ATOM 0 HG23 THR A 31 -2.171 -15.932 -2.716 1.00 41.13 H new ATOM 531 N GLU A 32 2.260 -13.760 -1.159 1.00 52.51 N ATOM 532 CA GLU A 32 3.440 -12.867 -1.166 1.00 42.42 C ATOM 533 C GLU A 32 3.875 -12.532 -2.612 1.00 63.32 C ATOM 534 O GLU A 32 4.438 -11.466 -2.856 1.00 43.11 O ATOM 535 CB GLU A 32 4.615 -13.495 -0.377 1.00 54.24 C ATOM 536 CG GLU A 32 5.841 -12.566 -0.233 1.00 62.35 C ATOM 537 CD GLU A 32 7.010 -13.220 0.511 1.00 71.11 C ATOM 538 OE1 GLU A 32 6.974 -13.264 1.759 1.00 2.52 O ATOM 539 OE2 GLU A 32 7.981 -13.654 -0.146 1.00 43.21 O ATOM 0 H GLU A 32 2.423 -14.659 -0.706 1.00 52.51 H new ATOM 0 HA GLU A 32 3.155 -11.938 -0.673 1.00 42.42 H new ATOM 0 HB2 GLU A 32 4.264 -13.774 0.617 1.00 54.24 H new ATOM 0 HB3 GLU A 32 4.924 -14.414 -0.875 1.00 54.24 H new ATOM 0 HG2 GLU A 32 6.175 -12.260 -1.224 1.00 62.35 H new ATOM 0 HG3 GLU A 32 5.543 -11.661 0.296 1.00 62.35 H new ATOM 546 N GLU A 33 3.573 -13.454 -3.564 1.00 54.42 N ATOM 547 CA GLU A 33 3.824 -13.247 -5.003 1.00 74.25 C ATOM 548 C GLU A 33 3.116 -11.977 -5.512 1.00 72.14 C ATOM 549 O GLU A 33 3.668 -11.257 -6.348 1.00 62.40 O ATOM 550 CB GLU A 33 3.382 -14.482 -5.837 1.00 31.15 C ATOM 551 CG GLU A 33 4.211 -15.752 -5.574 1.00 3.41 C ATOM 552 CD GLU A 33 3.853 -16.904 -6.526 1.00 11.23 C ATOM 553 OE1 GLU A 33 4.274 -16.862 -7.706 1.00 65.31 O ATOM 554 OE2 GLU A 33 3.148 -17.851 -6.112 1.00 43.45 O ATOM 0 H GLU A 33 3.150 -14.357 -3.349 1.00 54.42 H new ATOM 0 HA GLU A 33 4.899 -13.117 -5.130 1.00 74.25 H new ATOM 0 HB2 GLU A 33 2.335 -14.695 -5.623 1.00 31.15 H new ATOM 0 HB3 GLU A 33 3.446 -14.233 -6.896 1.00 31.15 H new ATOM 0 HG2 GLU A 33 5.270 -15.517 -5.678 1.00 3.41 H new ATOM 0 HG3 GLU A 33 4.055 -16.075 -4.545 1.00 3.41 H new ATOM 561 N ASP A 34 1.897 -11.701 -4.980 1.00 31.14 N ATOM 562 CA ASP A 34 1.155 -10.450 -5.260 1.00 10.10 C ATOM 563 C ASP A 34 2.010 -9.237 -4.873 1.00 11.43 C ATOM 564 O ASP A 34 2.241 -8.363 -5.702 1.00 43.02 O ATOM 565 CB ASP A 34 -0.204 -10.383 -4.498 1.00 51.43 C ATOM 566 CG ASP A 34 -1.230 -11.428 -4.955 1.00 35.04 C ATOM 567 OD1 ASP A 34 -1.399 -11.600 -6.180 1.00 20.54 O ATOM 568 OD2 ASP A 34 -1.885 -12.075 -4.101 1.00 34.12 O ATOM 0 H ASP A 34 1.407 -12.336 -4.350 1.00 31.14 H new ATOM 0 HA ASP A 34 0.940 -10.438 -6.329 1.00 10.10 H new ATOM 0 HB2 ASP A 34 -0.018 -10.514 -3.432 1.00 51.43 H new ATOM 0 HB3 ASP A 34 -0.632 -9.389 -4.627 1.00 51.43 H new ATOM 573 N ALA A 35 2.525 -9.263 -3.618 1.00 13.54 N ATOM 574 CA ALA A 35 3.349 -8.179 -3.040 1.00 73.44 C ATOM 575 C ALA A 35 4.580 -7.895 -3.911 1.00 1.32 C ATOM 576 O ALA A 35 4.908 -6.736 -4.153 1.00 73.03 O ATOM 577 CB ALA A 35 3.782 -8.526 -1.599 1.00 22.12 C ATOM 0 H ALA A 35 2.377 -10.043 -2.977 1.00 13.54 H new ATOM 0 HA ALA A 35 2.736 -7.278 -3.011 1.00 73.44 H new ATOM 0 HB1 ALA A 35 4.387 -7.714 -1.195 1.00 22.12 H new ATOM 0 HB2 ALA A 35 2.898 -8.664 -0.977 1.00 22.12 H new ATOM 0 HB3 ALA A 35 4.368 -9.445 -1.606 1.00 22.12 H new ATOM 583 N LYS A 36 5.213 -8.977 -4.401 1.00 53.35 N ATOM 584 CA LYS A 36 6.412 -8.909 -5.256 1.00 31.41 C ATOM 585 C LYS A 36 6.117 -8.226 -6.610 1.00 41.21 C ATOM 586 O LYS A 36 6.915 -7.410 -7.084 1.00 2.12 O ATOM 587 CB LYS A 36 6.956 -10.338 -5.485 1.00 62.32 C ATOM 588 CG LYS A 36 7.399 -11.065 -4.195 1.00 5.20 C ATOM 589 CD LYS A 36 7.940 -12.488 -4.477 1.00 5.10 C ATOM 590 CE LYS A 36 9.183 -12.488 -5.388 1.00 11.14 C ATOM 591 NZ LYS A 36 9.688 -13.866 -5.651 1.00 14.53 N ATOM 0 H LYS A 36 4.904 -9.931 -4.213 1.00 53.35 H new ATOM 0 HA LYS A 36 7.161 -8.303 -4.746 1.00 31.41 H new ATOM 0 HB2 LYS A 36 6.186 -10.933 -5.977 1.00 62.32 H new ATOM 0 HB3 LYS A 36 7.804 -10.286 -6.168 1.00 62.32 H new ATOM 0 HG2 LYS A 36 8.170 -10.478 -3.697 1.00 5.20 H new ATOM 0 HG3 LYS A 36 6.554 -11.129 -3.509 1.00 5.20 H new ATOM 0 HD2 LYS A 36 8.189 -12.970 -3.532 1.00 5.10 H new ATOM 0 HD3 LYS A 36 7.155 -13.084 -4.942 1.00 5.10 H new ATOM 0 HE2 LYS A 36 8.938 -12.006 -6.334 1.00 11.14 H new ATOM 0 HE3 LYS A 36 9.972 -11.896 -4.924 1.00 11.14 H new ATOM 0 HZ1 LYS A 36 10.524 -13.818 -6.268 1.00 14.53 H new ATOM 0 HZ2 LYS A 36 9.947 -14.318 -4.751 1.00 14.53 H new ATOM 0 HZ3 LYS A 36 8.945 -14.425 -6.118 1.00 14.53 H new ATOM 605 N GLN A 37 4.969 -8.579 -7.216 1.00 35.50 N ATOM 606 CA GLN A 37 4.512 -8.002 -8.503 1.00 23.03 C ATOM 607 C GLN A 37 4.152 -6.511 -8.335 1.00 52.24 C ATOM 608 O GLN A 37 4.350 -5.708 -9.255 1.00 3.13 O ATOM 609 CB GLN A 37 3.302 -8.807 -9.050 1.00 73.22 C ATOM 610 CG GLN A 37 3.627 -10.274 -9.400 1.00 45.14 C ATOM 611 CD GLN A 37 2.384 -11.103 -9.729 1.00 53.12 C ATOM 612 OE1 GLN A 37 1.957 -11.190 -10.883 1.00 5.02 O ATOM 613 NE2 GLN A 37 1.781 -11.708 -8.714 1.00 10.20 N ATOM 0 H GLN A 37 4.328 -9.273 -6.831 1.00 35.50 H new ATOM 0 HA GLN A 37 5.326 -8.070 -9.225 1.00 23.03 H new ATOM 0 HB2 GLN A 37 2.503 -8.790 -8.309 1.00 73.22 H new ATOM 0 HB3 GLN A 37 2.921 -8.308 -9.941 1.00 73.22 H new ATOM 0 HG2 GLN A 37 4.307 -10.296 -10.252 1.00 45.14 H new ATOM 0 HG3 GLN A 37 4.151 -10.733 -8.562 1.00 45.14 H new ATOM 0 HE21 GLN A 37 2.157 -11.618 -7.770 1.00 10.20 H new ATOM 0 HE22 GLN A 37 0.941 -12.263 -8.877 1.00 10.20 H new ATOM 622 N VAL A 38 3.639 -6.163 -7.139 1.00 31.23 N ATOM 623 CA VAL A 38 3.335 -4.775 -6.757 1.00 11.12 C ATOM 624 C VAL A 38 4.636 -3.958 -6.635 1.00 53.10 C ATOM 625 O VAL A 38 4.684 -2.828 -7.104 1.00 52.34 O ATOM 626 CB VAL A 38 2.508 -4.712 -5.415 1.00 14.51 C ATOM 627 CG1 VAL A 38 2.263 -3.258 -4.956 1.00 24.21 C ATOM 628 CG2 VAL A 38 1.167 -5.468 -5.561 1.00 0.11 C ATOM 0 H VAL A 38 3.424 -6.842 -6.409 1.00 31.23 H new ATOM 0 HA VAL A 38 2.718 -4.338 -7.542 1.00 11.12 H new ATOM 0 HB VAL A 38 3.104 -5.202 -4.645 1.00 14.51 H new ATOM 0 HG11 VAL A 38 1.690 -3.261 -4.029 1.00 24.21 H new ATOM 0 HG12 VAL A 38 3.220 -2.763 -4.790 1.00 24.21 H new ATOM 0 HG13 VAL A 38 1.706 -2.723 -5.725 1.00 24.21 H new ATOM 0 HG21 VAL A 38 0.613 -5.411 -4.624 1.00 0.11 H new ATOM 0 HG22 VAL A 38 0.578 -5.014 -6.358 1.00 0.11 H new ATOM 0 HG23 VAL A 38 1.363 -6.512 -5.804 1.00 0.11 H new ATOM 638 N ILE A 39 5.687 -4.560 -6.032 1.00 52.13 N ATOM 639 CA ILE A 39 7.022 -3.928 -5.903 1.00 31.42 C ATOM 640 C ILE A 39 7.562 -3.509 -7.289 1.00 62.34 C ATOM 641 O ILE A 39 8.040 -2.382 -7.456 1.00 32.24 O ATOM 642 CB ILE A 39 8.060 -4.890 -5.206 1.00 23.42 C ATOM 643 CG1 ILE A 39 7.641 -5.220 -3.744 1.00 50.32 C ATOM 644 CG2 ILE A 39 9.486 -4.301 -5.233 1.00 54.00 C ATOM 645 CD1 ILE A 39 8.516 -6.259 -3.053 1.00 63.21 C ATOM 0 H ILE A 39 5.635 -5.493 -5.623 1.00 52.13 H new ATOM 0 HA ILE A 39 6.898 -3.044 -5.277 1.00 31.42 H new ATOM 0 HB ILE A 39 8.064 -5.818 -5.778 1.00 23.42 H new ATOM 0 HG12 ILE A 39 7.660 -4.301 -3.158 1.00 50.32 H new ATOM 0 HG13 ILE A 39 6.611 -5.576 -3.747 1.00 50.32 H new ATOM 0 HG21 ILE A 39 10.174 -4.991 -4.744 1.00 54.00 H new ATOM 0 HG22 ILE A 39 9.798 -4.149 -6.266 1.00 54.00 H new ATOM 0 HG23 ILE A 39 9.495 -3.346 -4.707 1.00 54.00 H new ATOM 0 HD11 ILE A 39 8.151 -6.426 -2.040 1.00 63.21 H new ATOM 0 HD12 ILE A 39 8.479 -7.195 -3.611 1.00 63.21 H new ATOM 0 HD13 ILE A 39 9.545 -5.900 -3.013 1.00 63.21 H new ATOM 657 N LYS A 40 7.443 -4.435 -8.270 1.00 62.20 N ATOM 658 CA LYS A 40 7.875 -4.197 -9.665 1.00 64.23 C ATOM 659 C LYS A 40 7.119 -3.003 -10.285 1.00 32.55 C ATOM 660 O LYS A 40 7.697 -2.205 -11.018 1.00 23.42 O ATOM 661 CB LYS A 40 7.647 -5.458 -10.540 1.00 10.52 C ATOM 662 CG LYS A 40 8.294 -6.754 -10.003 1.00 53.51 C ATOM 663 CD LYS A 40 8.225 -7.941 -11.003 1.00 31.44 C ATOM 664 CE LYS A 40 9.310 -7.888 -12.103 1.00 12.21 C ATOM 665 NZ LYS A 40 9.168 -6.730 -13.034 1.00 72.33 N ATOM 0 H LYS A 40 7.047 -5.362 -8.117 1.00 62.20 H new ATOM 0 HA LYS A 40 8.940 -3.968 -9.639 1.00 64.23 H new ATOM 0 HB2 LYS A 40 6.574 -5.621 -10.642 1.00 10.52 H new ATOM 0 HB3 LYS A 40 8.036 -5.263 -11.539 1.00 10.52 H new ATOM 0 HG2 LYS A 40 9.337 -6.555 -9.758 1.00 53.51 H new ATOM 0 HG3 LYS A 40 7.798 -7.041 -9.076 1.00 53.51 H new ATOM 0 HD2 LYS A 40 8.324 -8.876 -10.451 1.00 31.44 H new ATOM 0 HD3 LYS A 40 7.242 -7.952 -11.474 1.00 31.44 H new ATOM 0 HE2 LYS A 40 10.291 -7.844 -11.631 1.00 12.21 H new ATOM 0 HE3 LYS A 40 9.275 -8.812 -12.680 1.00 12.21 H new ATOM 0 HZ1 LYS A 40 9.628 -6.954 -13.939 1.00 72.33 H new ATOM 0 HZ2 LYS A 40 8.159 -6.537 -13.197 1.00 72.33 H new ATOM 0 HZ3 LYS A 40 9.618 -5.891 -12.615 1.00 72.33 H new ATOM 679 N GLU A 41 5.816 -2.910 -9.951 1.00 11.41 N ATOM 680 CA GLU A 41 4.926 -1.845 -10.432 1.00 12.44 C ATOM 681 C GLU A 41 5.337 -0.479 -9.858 1.00 32.34 C ATOM 682 O GLU A 41 5.416 0.510 -10.587 1.00 22.42 O ATOM 683 CB GLU A 41 3.462 -2.172 -10.051 1.00 34.44 C ATOM 684 CG GLU A 41 2.448 -1.104 -10.484 1.00 34.45 C ATOM 685 CD GLU A 41 1.015 -1.419 -10.065 1.00 41.22 C ATOM 686 OE1 GLU A 41 0.361 -2.243 -10.743 1.00 33.03 O ATOM 687 OE2 GLU A 41 0.520 -0.824 -9.079 1.00 20.41 O ATOM 0 H GLU A 41 5.353 -3.579 -9.335 1.00 11.41 H new ATOM 0 HA GLU A 41 5.009 -1.790 -11.517 1.00 12.44 H new ATOM 0 HB2 GLU A 41 3.185 -3.125 -10.502 1.00 34.44 H new ATOM 0 HB3 GLU A 41 3.399 -2.300 -8.970 1.00 34.44 H new ATOM 0 HG2 GLU A 41 2.740 -0.144 -10.058 1.00 34.45 H new ATOM 0 HG3 GLU A 41 2.486 -0.997 -11.568 1.00 34.45 H new ATOM 694 N ILE A 42 5.608 -0.462 -8.544 1.00 32.41 N ATOM 695 CA ILE A 42 6.033 0.740 -7.810 1.00 22.35 C ATOM 696 C ILE A 42 7.357 1.294 -8.397 1.00 2.34 C ATOM 697 O ILE A 42 7.550 2.515 -8.495 1.00 60.32 O ATOM 698 CB ILE A 42 6.181 0.424 -6.273 1.00 44.13 C ATOM 699 CG1 ILE A 42 4.831 -0.078 -5.661 1.00 0.31 C ATOM 700 CG2 ILE A 42 6.686 1.651 -5.500 1.00 32.21 C ATOM 701 CD1 ILE A 42 4.945 -0.649 -4.250 1.00 41.21 C ATOM 0 H ILE A 42 5.537 -1.292 -7.955 1.00 32.41 H new ATOM 0 HA ILE A 42 5.267 1.507 -7.924 1.00 22.35 H new ATOM 0 HB ILE A 42 6.918 -0.373 -6.178 1.00 44.13 H new ATOM 0 HG12 ILE A 42 4.123 0.751 -5.647 1.00 0.31 H new ATOM 0 HG13 ILE A 42 4.413 -0.843 -6.315 1.00 0.31 H new ATOM 0 HG21 ILE A 42 6.778 1.402 -4.443 1.00 32.21 H new ATOM 0 HG22 ILE A 42 7.659 1.950 -5.888 1.00 32.21 H new ATOM 0 HG23 ILE A 42 5.979 2.472 -5.619 1.00 32.21 H new ATOM 0 HD11 ILE A 42 3.962 -0.971 -3.907 1.00 41.21 H new ATOM 0 HD12 ILE A 42 5.625 -1.501 -4.256 1.00 41.21 H new ATOM 0 HD13 ILE A 42 5.330 0.117 -3.577 1.00 41.21 H new ATOM 713 N GLN A 43 8.234 0.369 -8.826 1.00 21.41 N ATOM 714 CA GLN A 43 9.514 0.705 -9.476 1.00 24.20 C ATOM 715 C GLN A 43 9.289 1.248 -10.903 1.00 35.15 C ATOM 716 O GLN A 43 9.911 2.245 -11.293 1.00 3.41 O ATOM 717 CB GLN A 43 10.451 -0.537 -9.503 1.00 74.55 C ATOM 718 CG GLN A 43 10.955 -0.989 -8.115 1.00 13.14 C ATOM 719 CD GLN A 43 11.793 -2.271 -8.146 1.00 14.14 C ATOM 720 OE1 GLN A 43 12.449 -2.587 -9.137 1.00 44.23 O ATOM 721 NE2 GLN A 43 11.802 -3.000 -7.052 1.00 20.54 N ATOM 0 H GLN A 43 8.075 -0.634 -8.732 1.00 21.41 H new ATOM 0 HA GLN A 43 9.994 1.491 -8.892 1.00 24.20 H new ATOM 0 HB2 GLN A 43 9.921 -1.366 -9.971 1.00 74.55 H new ATOM 0 HB3 GLN A 43 11.312 -0.313 -10.133 1.00 74.55 H new ATOM 0 HG2 GLN A 43 11.550 -0.188 -7.677 1.00 13.14 H new ATOM 0 HG3 GLN A 43 10.097 -1.143 -7.460 1.00 13.14 H new ATOM 0 HE21 GLN A 43 11.248 -2.714 -6.244 1.00 20.54 H new ATOM 0 HE22 GLN A 43 12.363 -3.851 -7.011 1.00 20.54 H new ATOM 730 N LYS A 44 8.381 0.597 -11.660 1.00 61.41 N ATOM 731 CA LYS A 44 8.136 0.913 -13.083 1.00 3.32 C ATOM 732 C LYS A 44 7.481 2.308 -13.223 1.00 73.21 C ATOM 733 O LYS A 44 7.953 3.140 -14.002 1.00 72.40 O ATOM 734 CB LYS A 44 7.272 -0.221 -13.744 1.00 71.11 C ATOM 735 CG LYS A 44 7.318 -0.287 -15.306 1.00 41.23 C ATOM 736 CD LYS A 44 6.450 0.779 -16.023 1.00 33.41 C ATOM 737 CE LYS A 44 6.668 0.816 -17.549 1.00 73.12 C ATOM 738 NZ LYS A 44 8.036 1.295 -17.910 1.00 54.30 N ATOM 0 H LYS A 44 7.799 -0.160 -11.303 1.00 61.41 H new ATOM 0 HA LYS A 44 9.087 0.953 -13.615 1.00 3.32 H new ATOM 0 HB2 LYS A 44 7.603 -1.181 -13.348 1.00 71.11 H new ATOM 0 HB3 LYS A 44 6.235 -0.089 -13.435 1.00 71.11 H new ATOM 0 HG2 LYS A 44 8.352 -0.173 -15.631 1.00 41.23 H new ATOM 0 HG3 LYS A 44 6.991 -1.277 -15.625 1.00 41.23 H new ATOM 0 HD2 LYS A 44 5.398 0.579 -15.818 1.00 33.41 H new ATOM 0 HD3 LYS A 44 6.675 1.761 -15.607 1.00 33.41 H new ATOM 0 HE2 LYS A 44 6.513 -0.181 -17.961 1.00 73.12 H new ATOM 0 HE3 LYS A 44 5.924 1.469 -18.005 1.00 73.12 H new ATOM 0 HZ1 LYS A 44 8.095 1.434 -18.939 1.00 54.30 H new ATOM 0 HZ2 LYS A 44 8.227 2.197 -17.428 1.00 54.30 H new ATOM 0 HZ3 LYS A 44 8.740 0.589 -17.615 1.00 54.30 H new ATOM 752 N LYS A 45 6.410 2.561 -12.445 1.00 70.15 N ATOM 753 CA LYS A 45 5.676 3.852 -12.485 1.00 74.04 C ATOM 754 C LYS A 45 6.460 4.960 -11.776 1.00 23.44 C ATOM 755 O LYS A 45 6.257 6.145 -12.071 1.00 41.42 O ATOM 756 CB LYS A 45 4.238 3.732 -11.872 1.00 52.43 C ATOM 757 CG LYS A 45 3.212 3.027 -12.794 1.00 14.20 C ATOM 758 CD LYS A 45 3.448 1.496 -12.930 1.00 34.13 C ATOM 759 CE LYS A 45 3.191 0.964 -14.343 1.00 14.04 C ATOM 760 NZ LYS A 45 1.824 1.277 -14.845 1.00 63.30 N ATOM 0 H LYS A 45 6.029 1.890 -11.778 1.00 70.15 H new ATOM 0 HA LYS A 45 5.570 4.117 -13.537 1.00 74.04 H new ATOM 0 HB2 LYS A 45 4.301 3.185 -10.931 1.00 52.43 H new ATOM 0 HB3 LYS A 45 3.871 4.731 -11.636 1.00 52.43 H new ATOM 0 HG2 LYS A 45 2.208 3.199 -12.405 1.00 14.20 H new ATOM 0 HG3 LYS A 45 3.252 3.482 -13.784 1.00 14.20 H new ATOM 0 HD2 LYS A 45 4.475 1.267 -12.645 1.00 34.13 H new ATOM 0 HD3 LYS A 45 2.798 0.972 -12.229 1.00 34.13 H new ATOM 0 HE2 LYS A 45 3.928 1.389 -15.024 1.00 14.04 H new ATOM 0 HE3 LYS A 45 3.336 -0.116 -14.350 1.00 14.04 H new ATOM 0 HZ1 LYS A 45 1.704 0.877 -15.798 1.00 63.30 H new ATOM 0 HZ2 LYS A 45 1.116 0.864 -14.205 1.00 63.30 H new ATOM 0 HZ3 LYS A 45 1.696 2.308 -14.884 1.00 63.30 H new ATOM 774 N GLY A 46 7.365 4.569 -10.866 1.00 50.42 N ATOM 775 CA GLY A 46 8.123 5.534 -10.074 1.00 73.24 C ATOM 776 C GLY A 46 7.247 6.200 -9.028 1.00 73.53 C ATOM 777 O GLY A 46 7.205 7.430 -8.935 1.00 54.32 O ATOM 0 H GLY A 46 7.585 3.594 -10.665 1.00 50.42 H new ATOM 0 HA2 GLY A 46 8.957 5.031 -9.585 1.00 73.24 H new ATOM 0 HA3 GLY A 46 8.549 6.292 -10.731 1.00 73.24 H new ATOM 781 N VAL A 47 6.502 5.368 -8.278 1.00 12.43 N ATOM 782 CA VAL A 47 5.552 5.833 -7.251 1.00 22.01 C ATOM 783 C VAL A 47 6.328 6.471 -6.089 1.00 22.13 C ATOM 784 O VAL A 47 7.335 5.922 -5.656 1.00 54.30 O ATOM 785 CB VAL A 47 4.672 4.650 -6.711 1.00 21.40 C ATOM 786 CG1 VAL A 47 3.632 5.130 -5.670 1.00 61.32 C ATOM 787 CG2 VAL A 47 3.997 3.880 -7.871 1.00 53.33 C ATOM 0 H VAL A 47 6.542 4.353 -8.367 1.00 12.43 H new ATOM 0 HA VAL A 47 4.889 6.569 -7.706 1.00 22.01 H new ATOM 0 HB VAL A 47 5.341 3.959 -6.197 1.00 21.40 H new ATOM 0 HG11 VAL A 47 3.045 4.279 -5.323 1.00 61.32 H new ATOM 0 HG12 VAL A 47 4.147 5.585 -4.824 1.00 61.32 H new ATOM 0 HG13 VAL A 47 2.970 5.864 -6.129 1.00 61.32 H new ATOM 0 HG21 VAL A 47 3.395 3.067 -7.466 1.00 53.33 H new ATOM 0 HG22 VAL A 47 3.358 4.559 -8.435 1.00 53.33 H new ATOM 0 HG23 VAL A 47 4.763 3.471 -8.530 1.00 53.33 H new ATOM 797 N GLN A 48 5.866 7.627 -5.604 1.00 41.31 N ATOM 798 CA GLN A 48 6.552 8.367 -4.536 1.00 32.40 C ATOM 799 C GLN A 48 6.215 7.762 -3.164 1.00 63.22 C ATOM 800 O GLN A 48 7.107 7.325 -2.426 1.00 34.13 O ATOM 801 CB GLN A 48 6.142 9.865 -4.595 1.00 34.33 C ATOM 802 CG GLN A 48 6.822 10.775 -3.545 1.00 62.44 C ATOM 803 CD GLN A 48 6.471 12.262 -3.713 1.00 34.13 C ATOM 804 OE1 GLN A 48 6.216 12.735 -4.821 1.00 51.41 O ATOM 805 NE2 GLN A 48 6.446 13.008 -2.619 1.00 65.31 N ATOM 0 H GLN A 48 5.012 8.075 -5.936 1.00 41.31 H new ATOM 0 HA GLN A 48 7.630 8.292 -4.681 1.00 32.40 H new ATOM 0 HB2 GLN A 48 6.372 10.249 -5.589 1.00 34.33 H new ATOM 0 HB3 GLN A 48 5.062 9.935 -4.468 1.00 34.33 H new ATOM 0 HG2 GLN A 48 6.528 10.450 -2.547 1.00 62.44 H new ATOM 0 HG3 GLN A 48 7.903 10.654 -3.614 1.00 62.44 H new ATOM 0 HE21 GLN A 48 6.661 12.592 -1.713 1.00 65.31 H new ATOM 0 HE22 GLN A 48 6.212 13.999 -2.682 1.00 65.31 H new ATOM 814 N LYS A 49 4.909 7.730 -2.841 1.00 52.14 N ATOM 815 CA LYS A 49 4.410 7.306 -1.522 1.00 72.42 C ATOM 816 C LYS A 49 3.546 6.045 -1.638 1.00 4.30 C ATOM 817 O LYS A 49 2.629 5.988 -2.464 1.00 30.34 O ATOM 818 CB LYS A 49 3.605 8.464 -0.878 1.00 42.20 C ATOM 819 CG LYS A 49 4.447 9.733 -0.596 1.00 12.13 C ATOM 820 CD LYS A 49 3.626 10.874 0.040 1.00 14.41 C ATOM 821 CE LYS A 49 2.585 11.459 -0.921 1.00 31.23 C ATOM 822 NZ LYS A 49 3.218 12.130 -2.086 1.00 51.25 N ATOM 0 H LYS A 49 4.169 7.998 -3.490 1.00 52.14 H new ATOM 0 HA LYS A 49 5.261 7.063 -0.886 1.00 72.42 H new ATOM 0 HB2 LYS A 49 2.777 8.728 -1.536 1.00 42.20 H new ATOM 0 HB3 LYS A 49 3.169 8.114 0.058 1.00 42.20 H new ATOM 0 HG2 LYS A 49 5.273 9.474 0.067 1.00 12.13 H new ATOM 0 HG3 LYS A 49 4.886 10.086 -1.529 1.00 12.13 H new ATOM 0 HD2 LYS A 49 3.122 10.501 0.932 1.00 14.41 H new ATOM 0 HD3 LYS A 49 4.302 11.666 0.364 1.00 14.41 H new ATOM 0 HE2 LYS A 49 1.929 10.663 -1.273 1.00 31.23 H new ATOM 0 HE3 LYS A 49 1.960 12.174 -0.387 1.00 31.23 H new ATOM 0 HZ1 LYS A 49 2.496 12.655 -2.619 1.00 51.25 H new ATOM 0 HZ2 LYS A 49 3.949 12.790 -1.752 1.00 51.25 H new ATOM 0 HZ3 LYS A 49 3.653 11.416 -2.704 1.00 51.25 H new ATOM 836 N VAL A 50 3.861 5.035 -0.808 1.00 30.44 N ATOM 837 CA VAL A 50 3.130 3.759 -0.741 1.00 33.21 C ATOM 838 C VAL A 50 2.686 3.502 0.712 1.00 70.03 C ATOM 839 O VAL A 50 3.494 3.607 1.646 1.00 61.21 O ATOM 840 CB VAL A 50 4.014 2.568 -1.282 1.00 22.32 C ATOM 841 CG1 VAL A 50 3.352 1.188 -1.053 1.00 52.14 C ATOM 842 CG2 VAL A 50 4.333 2.774 -2.781 1.00 71.24 C ATOM 0 H VAL A 50 4.643 5.084 -0.155 1.00 30.44 H new ATOM 0 HA VAL A 50 2.248 3.821 -1.378 1.00 33.21 H new ATOM 0 HB VAL A 50 4.943 2.573 -0.713 1.00 22.32 H new ATOM 0 HG11 VAL A 50 4.001 0.404 -1.443 1.00 52.14 H new ATOM 0 HG12 VAL A 50 3.196 1.032 0.014 1.00 52.14 H new ATOM 0 HG13 VAL A 50 2.392 1.155 -1.569 1.00 52.14 H new ATOM 0 HG21 VAL A 50 4.943 1.945 -3.140 1.00 71.24 H new ATOM 0 HG22 VAL A 50 3.403 2.813 -3.349 1.00 71.24 H new ATOM 0 HG23 VAL A 50 4.878 3.709 -2.912 1.00 71.24 H new ATOM 852 N VAL A 51 1.390 3.178 0.889 1.00 4.05 N ATOM 853 CA VAL A 51 0.785 2.932 2.204 1.00 15.20 C ATOM 854 C VAL A 51 0.586 1.420 2.426 1.00 23.13 C ATOM 855 O VAL A 51 -0.301 0.803 1.834 1.00 33.41 O ATOM 856 CB VAL A 51 -0.580 3.693 2.359 1.00 51.53 C ATOM 857 CG1 VAL A 51 -1.239 3.401 3.720 1.00 73.45 C ATOM 858 CG2 VAL A 51 -0.391 5.208 2.165 1.00 43.20 C ATOM 0 H VAL A 51 0.733 3.080 0.115 1.00 4.05 H new ATOM 0 HA VAL A 51 1.467 3.315 2.963 1.00 15.20 H new ATOM 0 HB VAL A 51 -1.247 3.326 1.579 1.00 51.53 H new ATOM 0 HG11 VAL A 51 -2.181 3.944 3.792 1.00 73.45 H new ATOM 0 HG12 VAL A 51 -1.429 2.331 3.810 1.00 73.45 H new ATOM 0 HG13 VAL A 51 -0.574 3.720 4.522 1.00 73.45 H new ATOM 0 HG21 VAL A 51 -1.351 5.712 2.277 1.00 43.20 H new ATOM 0 HG22 VAL A 51 0.307 5.586 2.912 1.00 43.20 H new ATOM 0 HG23 VAL A 51 0.005 5.401 1.168 1.00 43.20 H new ATOM 868 N LEU A 52 1.441 0.846 3.268 1.00 23.34 N ATOM 869 CA LEU A 52 1.414 -0.571 3.633 1.00 41.12 C ATOM 870 C LEU A 52 0.477 -0.793 4.844 1.00 72.12 C ATOM 871 O LEU A 52 0.871 -0.585 6.000 1.00 43.33 O ATOM 872 CB LEU A 52 2.872 -1.017 3.928 1.00 51.02 C ATOM 873 CG LEU A 52 3.859 -0.891 2.721 1.00 23.42 C ATOM 874 CD1 LEU A 52 5.319 -1.155 3.129 1.00 61.02 C ATOM 875 CD2 LEU A 52 3.435 -1.816 1.576 1.00 22.54 C ATOM 0 H LEU A 52 2.190 1.364 3.727 1.00 23.34 H new ATOM 0 HA LEU A 52 1.018 -1.177 2.818 1.00 41.12 H new ATOM 0 HB2 LEU A 52 3.257 -0.423 4.756 1.00 51.02 H new ATOM 0 HB3 LEU A 52 2.858 -2.055 4.260 1.00 51.02 H new ATOM 0 HG LEU A 52 3.810 0.141 2.372 1.00 23.42 H new ATOM 0 HD11 LEU A 52 5.964 -1.055 2.256 1.00 61.02 H new ATOM 0 HD12 LEU A 52 5.621 -0.433 3.888 1.00 61.02 H new ATOM 0 HD13 LEU A 52 5.407 -2.164 3.532 1.00 61.02 H new ATOM 0 HD21 LEU A 52 4.135 -1.713 0.747 1.00 22.54 H new ATOM 0 HD22 LEU A 52 3.434 -2.849 1.924 1.00 22.54 H new ATOM 0 HD23 LEU A 52 2.434 -1.545 1.241 1.00 22.54 H new ATOM 887 N VAL A 53 -0.779 -1.166 4.548 1.00 50.31 N ATOM 888 CA VAL A 53 -1.831 -1.404 5.552 1.00 20.43 C ATOM 889 C VAL A 53 -1.856 -2.878 5.996 1.00 13.23 C ATOM 890 O VAL A 53 -2.018 -3.787 5.166 1.00 13.22 O ATOM 891 CB VAL A 53 -3.261 -1.010 5.009 1.00 1.12 C ATOM 892 CG1 VAL A 53 -4.353 -1.183 6.099 1.00 32.42 C ATOM 893 CG2 VAL A 53 -3.268 0.425 4.441 1.00 14.22 C ATOM 0 H VAL A 53 -1.098 -1.313 3.590 1.00 50.31 H new ATOM 0 HA VAL A 53 -1.590 -0.771 6.406 1.00 20.43 H new ATOM 0 HB VAL A 53 -3.498 -1.694 4.194 1.00 1.12 H new ATOM 0 HG11 VAL A 53 -5.323 -0.903 5.689 1.00 32.42 H new ATOM 0 HG12 VAL A 53 -4.383 -2.223 6.423 1.00 32.42 H new ATOM 0 HG13 VAL A 53 -4.121 -0.544 6.951 1.00 32.42 H new ATOM 0 HG21 VAL A 53 -4.266 0.667 4.075 1.00 14.22 H new ATOM 0 HG22 VAL A 53 -2.989 1.128 5.226 1.00 14.22 H new ATOM 0 HG23 VAL A 53 -2.554 0.495 3.620 1.00 14.22 H new ATOM 903 N GLY A 54 -1.698 -3.086 7.321 1.00 61.42 N ATOM 904 CA GLY A 54 -1.876 -4.393 7.955 1.00 3.34 C ATOM 905 C GLY A 54 -0.807 -5.410 7.577 1.00 53.25 C ATOM 906 O GLY A 54 -1.051 -6.623 7.628 1.00 13.23 O ATOM 0 H GLY A 54 -1.443 -2.346 7.975 1.00 61.42 H new ATOM 0 HA2 GLY A 54 -1.876 -4.264 9.037 1.00 3.34 H new ATOM 0 HA3 GLY A 54 -2.854 -4.789 7.681 1.00 3.34 H new ATOM 910 N VAL A 55 0.389 -4.917 7.215 1.00 71.32 N ATOM 911 CA VAL A 55 1.503 -5.771 6.781 1.00 24.51 C ATOM 912 C VAL A 55 2.406 -6.100 7.980 1.00 30.50 C ATOM 913 O VAL A 55 2.511 -5.307 8.930 1.00 64.03 O ATOM 914 CB VAL A 55 2.354 -5.102 5.630 1.00 41.24 C ATOM 915 CG1 VAL A 55 1.463 -4.728 4.422 1.00 24.32 C ATOM 916 CG2 VAL A 55 3.152 -3.876 6.137 1.00 41.21 C ATOM 0 H VAL A 55 0.608 -3.921 7.215 1.00 71.32 H new ATOM 0 HA VAL A 55 1.076 -6.689 6.378 1.00 24.51 H new ATOM 0 HB VAL A 55 3.081 -5.842 5.296 1.00 41.24 H new ATOM 0 HG11 VAL A 55 2.076 -4.270 3.646 1.00 24.32 H new ATOM 0 HG12 VAL A 55 0.990 -5.627 4.027 1.00 24.32 H new ATOM 0 HG13 VAL A 55 0.695 -4.024 4.741 1.00 24.32 H new ATOM 0 HG21 VAL A 55 3.723 -3.447 5.313 1.00 41.21 H new ATOM 0 HG22 VAL A 55 2.461 -3.129 6.528 1.00 41.21 H new ATOM 0 HG23 VAL A 55 3.835 -4.188 6.927 1.00 41.21 H new ATOM 926 N SER A 56 3.018 -7.286 7.942 1.00 65.40 N ATOM 927 CA SER A 56 4.080 -7.663 8.884 1.00 51.21 C ATOM 928 C SER A 56 5.374 -6.918 8.500 1.00 1.02 C ATOM 929 O SER A 56 5.495 -6.438 7.373 1.00 54.20 O ATOM 930 CB SER A 56 4.292 -9.191 8.845 1.00 53.53 C ATOM 931 OG SER A 56 3.073 -9.877 9.100 1.00 63.01 O ATOM 0 H SER A 56 2.794 -8.011 7.261 1.00 65.40 H new ATOM 0 HA SER A 56 3.799 -7.385 9.900 1.00 51.21 H new ATOM 0 HB2 SER A 56 4.682 -9.484 7.870 1.00 53.53 H new ATOM 0 HB3 SER A 56 5.038 -9.478 9.586 1.00 53.53 H new ATOM 0 HG SER A 56 3.229 -10.844 9.069 1.00 63.01 H new ATOM 937 N GLU A 57 6.332 -6.832 9.435 1.00 65.53 N ATOM 938 CA GLU A 57 7.628 -6.143 9.207 1.00 2.44 C ATOM 939 C GLU A 57 8.505 -6.905 8.191 1.00 74.30 C ATOM 940 O GLU A 57 9.400 -6.315 7.572 1.00 0.12 O ATOM 941 CB GLU A 57 8.374 -5.913 10.551 1.00 51.33 C ATOM 942 CG GLU A 57 7.829 -4.743 11.406 1.00 14.21 C ATOM 943 CD GLU A 57 6.331 -4.849 11.750 1.00 2.34 C ATOM 944 OE1 GLU A 57 5.977 -5.615 12.674 1.00 13.15 O ATOM 945 OE2 GLU A 57 5.505 -4.175 11.095 1.00 53.03 O ATOM 0 H GLU A 57 6.239 -7.233 10.368 1.00 65.53 H new ATOM 0 HA GLU A 57 7.416 -5.166 8.773 1.00 2.44 H new ATOM 0 HB2 GLU A 57 8.323 -6.829 11.140 1.00 51.33 H new ATOM 0 HB3 GLU A 57 9.427 -5.729 10.339 1.00 51.33 H new ATOM 0 HG2 GLU A 57 8.399 -4.691 12.333 1.00 14.21 H new ATOM 0 HG3 GLU A 57 8.001 -3.808 10.872 1.00 14.21 H new ATOM 952 N LYS A 58 8.215 -8.214 8.018 1.00 33.14 N ATOM 953 CA LYS A 58 8.806 -9.046 6.950 1.00 54.32 C ATOM 954 C LYS A 58 8.402 -8.511 5.561 1.00 14.11 C ATOM 955 O LYS A 58 9.170 -8.593 4.609 1.00 71.41 O ATOM 956 CB LYS A 58 8.353 -10.522 7.087 1.00 50.24 C ATOM 957 CG LYS A 58 8.715 -11.183 8.429 1.00 41.32 C ATOM 958 CD LYS A 58 8.224 -12.647 8.518 1.00 4.44 C ATOM 959 CE LYS A 58 8.412 -13.256 9.917 1.00 23.51 C ATOM 960 NZ LYS A 58 7.650 -12.506 10.957 1.00 5.50 N ATOM 0 H LYS A 58 7.564 -8.722 8.616 1.00 33.14 H new ATOM 0 HA LYS A 58 9.890 -8.998 7.051 1.00 54.32 H new ATOM 0 HB2 LYS A 58 7.272 -10.570 6.953 1.00 50.24 H new ATOM 0 HB3 LYS A 58 8.800 -11.102 6.279 1.00 50.24 H new ATOM 0 HG2 LYS A 58 9.796 -11.157 8.564 1.00 41.32 H new ATOM 0 HG3 LYS A 58 8.278 -10.606 9.244 1.00 41.32 H new ATOM 0 HD2 LYS A 58 7.169 -12.688 8.248 1.00 4.44 H new ATOM 0 HD3 LYS A 58 8.764 -13.251 7.789 1.00 4.44 H new ATOM 0 HE2 LYS A 58 8.086 -14.296 9.907 1.00 23.51 H new ATOM 0 HE3 LYS A 58 9.471 -13.257 10.173 1.00 23.51 H new ATOM 0 HZ1 LYS A 58 7.606 -13.070 11.829 1.00 5.50 H new ATOM 0 HZ2 LYS A 58 8.127 -11.603 11.153 1.00 5.50 H new ATOM 0 HZ3 LYS A 58 6.685 -12.321 10.615 1.00 5.50 H new ATOM 974 N LEU A 59 7.165 -7.990 5.469 1.00 44.30 N ATOM 975 CA LEU A 59 6.620 -7.392 4.237 1.00 53.14 C ATOM 976 C LEU A 59 6.955 -5.890 4.162 1.00 12.12 C ATOM 977 O LEU A 59 7.224 -5.378 3.094 1.00 13.44 O ATOM 978 CB LEU A 59 5.080 -7.608 4.172 1.00 33.32 C ATOM 979 CG LEU A 59 4.601 -9.095 4.145 1.00 51.41 C ATOM 980 CD1 LEU A 59 3.061 -9.185 4.127 1.00 42.41 C ATOM 981 CD2 LEU A 59 5.227 -9.863 2.958 1.00 2.04 C ATOM 0 H LEU A 59 6.512 -7.972 6.252 1.00 44.30 H new ATOM 0 HA LEU A 59 7.081 -7.886 3.382 1.00 53.14 H new ATOM 0 HB2 LEU A 59 4.627 -7.116 5.033 1.00 33.32 H new ATOM 0 HB3 LEU A 59 4.699 -7.108 3.282 1.00 33.32 H new ATOM 0 HG LEU A 59 4.946 -9.572 5.062 1.00 51.41 H new ATOM 0 HD11 LEU A 59 2.758 -10.232 4.108 1.00 42.41 H new ATOM 0 HD12 LEU A 59 2.658 -8.706 5.020 1.00 42.41 H new ATOM 0 HD13 LEU A 59 2.677 -8.680 3.240 1.00 42.41 H new ATOM 0 HD21 LEU A 59 4.875 -10.895 2.966 1.00 2.04 H new ATOM 0 HD22 LEU A 59 4.935 -9.387 2.022 1.00 2.04 H new ATOM 0 HD23 LEU A 59 6.313 -9.850 3.048 1.00 2.04 H new ATOM 993 N LEU A 60 6.971 -5.213 5.315 1.00 45.20 N ATOM 994 CA LEU A 60 7.150 -3.752 5.389 1.00 32.23 C ATOM 995 C LEU A 60 8.545 -3.338 4.896 1.00 35.33 C ATOM 996 O LEU A 60 8.683 -2.641 3.888 1.00 21.23 O ATOM 997 CB LEU A 60 6.966 -3.267 6.844 1.00 23.02 C ATOM 998 CG LEU A 60 7.286 -1.750 7.094 1.00 72.21 C ATOM 999 CD1 LEU A 60 6.104 -0.846 6.710 1.00 22.11 C ATOM 1000 CD2 LEU A 60 7.767 -1.514 8.530 1.00 73.44 C ATOM 0 H LEU A 60 6.861 -5.659 6.226 1.00 45.20 H new ATOM 0 HA LEU A 60 6.399 -3.293 4.746 1.00 32.23 H new ATOM 0 HB2 LEU A 60 5.936 -3.458 7.145 1.00 23.02 H new ATOM 0 HB3 LEU A 60 7.604 -3.867 7.493 1.00 23.02 H new ATOM 0 HG LEU A 60 8.108 -1.471 6.435 1.00 72.21 H new ATOM 0 HD11 LEU A 60 6.366 0.195 6.898 1.00 22.11 H new ATOM 0 HD12 LEU A 60 5.874 -0.977 5.653 1.00 22.11 H new ATOM 0 HD13 LEU A 60 5.232 -1.114 7.307 1.00 22.11 H new ATOM 0 HD21 LEU A 60 7.981 -0.455 8.673 1.00 73.44 H new ATOM 0 HD22 LEU A 60 6.991 -1.825 9.229 1.00 73.44 H new ATOM 0 HD23 LEU A 60 8.672 -2.094 8.711 1.00 73.44 H new ATOM 1012 N GLN A 61 9.566 -3.818 5.633 1.00 64.34 N ATOM 1013 CA GLN A 61 10.975 -3.445 5.428 1.00 73.23 C ATOM 1014 C GLN A 61 11.486 -3.954 4.075 1.00 64.14 C ATOM 1015 O GLN A 61 12.410 -3.386 3.494 1.00 34.32 O ATOM 1016 CB GLN A 61 11.830 -3.997 6.596 1.00 4.21 C ATOM 1017 CG GLN A 61 11.395 -3.488 7.991 1.00 31.44 C ATOM 1018 CD GLN A 61 12.139 -4.153 9.150 1.00 42.24 C ATOM 1019 OE1 GLN A 61 13.291 -4.571 9.021 1.00 11.32 O ATOM 1020 NE2 GLN A 61 11.486 -4.263 10.300 1.00 65.14 N ATOM 0 H GLN A 61 9.432 -4.483 6.395 1.00 64.34 H new ATOM 0 HA GLN A 61 11.058 -2.358 5.416 1.00 73.23 H new ATOM 0 HB2 GLN A 61 11.780 -5.086 6.586 1.00 4.21 H new ATOM 0 HB3 GLN A 61 12.872 -3.724 6.430 1.00 4.21 H new ATOM 0 HG2 GLN A 61 11.554 -2.411 8.040 1.00 31.44 H new ATOM 0 HG3 GLN A 61 10.325 -3.659 8.112 1.00 31.44 H new ATOM 0 HE21 GLN A 61 10.533 -3.909 10.381 1.00 65.14 H new ATOM 0 HE22 GLN A 61 11.937 -4.702 11.103 1.00 65.14 H new ATOM 1029 N LYS A 62 10.833 -5.009 3.576 1.00 75.14 N ATOM 1030 CA LYS A 62 11.186 -5.657 2.308 1.00 42.31 C ATOM 1031 C LYS A 62 10.610 -4.879 1.112 1.00 71.40 C ATOM 1032 O LYS A 62 11.348 -4.542 0.194 1.00 3.33 O ATOM 1033 CB LYS A 62 10.685 -7.108 2.307 1.00 62.12 C ATOM 1034 CG LYS A 62 10.974 -7.900 1.010 1.00 74.31 C ATOM 1035 CD LYS A 62 10.527 -9.372 1.125 1.00 54.20 C ATOM 1036 CE LYS A 62 9.015 -9.514 1.360 1.00 14.41 C ATOM 1037 NZ LYS A 62 8.651 -10.914 1.707 1.00 31.23 N ATOM 0 H LYS A 62 10.037 -5.441 4.045 1.00 75.14 H new ATOM 0 HA LYS A 62 12.271 -5.659 2.208 1.00 42.31 H new ATOM 0 HB2 LYS A 62 11.141 -7.634 3.145 1.00 62.12 H new ATOM 0 HB3 LYS A 62 9.609 -7.105 2.480 1.00 62.12 H new ATOM 0 HG2 LYS A 62 10.458 -7.428 0.174 1.00 74.31 H new ATOM 0 HG3 LYS A 62 12.041 -7.860 0.790 1.00 74.31 H new ATOM 0 HD2 LYS A 62 10.801 -9.903 0.213 1.00 54.20 H new ATOM 0 HD3 LYS A 62 11.065 -9.848 1.945 1.00 54.20 H new ATOM 0 HE2 LYS A 62 8.705 -8.846 2.163 1.00 14.41 H new ATOM 0 HE3 LYS A 62 8.475 -9.207 0.464 1.00 14.41 H new ATOM 0 HZ1 LYS A 62 7.616 -11.001 1.760 1.00 31.23 H new ATOM 0 HZ2 LYS A 62 9.016 -11.559 0.977 1.00 31.23 H new ATOM 0 HZ3 LYS A 62 9.067 -11.163 2.627 1.00 31.23 H new ATOM 1051 N ILE A 63 9.290 -4.592 1.134 1.00 40.43 N ATOM 1052 CA ILE A 63 8.636 -3.792 0.076 1.00 45.20 C ATOM 1053 C ILE A 63 9.296 -2.392 0.002 1.00 2.51 C ATOM 1054 O ILE A 63 9.511 -1.874 -1.085 1.00 70.32 O ATOM 1055 CB ILE A 63 7.049 -3.695 0.262 1.00 4.12 C ATOM 1056 CG1 ILE A 63 6.286 -4.959 -0.298 1.00 21.53 C ATOM 1057 CG2 ILE A 63 6.465 -2.422 -0.404 1.00 2.42 C ATOM 1058 CD1 ILE A 63 6.716 -6.318 0.235 1.00 64.41 C ATOM 0 H ILE A 63 8.658 -4.902 1.872 1.00 40.43 H new ATOM 0 HA ILE A 63 8.785 -4.305 -0.874 1.00 45.20 H new ATOM 0 HB ILE A 63 6.891 -3.647 1.339 1.00 4.12 H new ATOM 0 HG12 ILE A 63 5.224 -4.834 -0.089 1.00 21.53 H new ATOM 0 HG13 ILE A 63 6.398 -4.969 -1.382 1.00 21.53 H new ATOM 0 HG21 ILE A 63 5.386 -2.395 -0.254 1.00 2.42 H new ATOM 0 HG22 ILE A 63 6.916 -1.537 0.045 1.00 2.42 H new ATOM 0 HG23 ILE A 63 6.683 -2.438 -1.472 1.00 2.42 H new ATOM 0 HD11 ILE A 63 6.114 -7.098 -0.230 1.00 64.41 H new ATOM 0 HD12 ILE A 63 7.768 -6.484 0.002 1.00 64.41 H new ATOM 0 HD13 ILE A 63 6.575 -6.346 1.315 1.00 64.41 H new ATOM 1070 N LYS A 64 9.675 -1.823 1.170 1.00 61.54 N ATOM 1071 CA LYS A 64 10.274 -0.473 1.228 1.00 53.43 C ATOM 1072 C LYS A 64 11.725 -0.500 0.687 1.00 51.53 C ATOM 1073 O LYS A 64 12.130 0.432 -0.012 1.00 55.01 O ATOM 1074 CB LYS A 64 10.172 0.136 2.676 1.00 61.33 C ATOM 1075 CG LYS A 64 11.334 -0.165 3.681 1.00 64.23 C ATOM 1076 CD LYS A 64 12.507 0.864 3.603 1.00 11.34 C ATOM 1077 CE LYS A 64 13.725 0.466 4.441 1.00 41.53 C ATOM 1078 NZ LYS A 64 14.805 1.493 4.378 1.00 1.10 N ATOM 0 H LYS A 64 9.577 -2.276 2.079 1.00 61.54 H new ATOM 0 HA LYS A 64 9.704 0.191 0.579 1.00 53.43 H new ATOM 0 HB2 LYS A 64 10.086 1.218 2.578 1.00 61.33 H new ATOM 0 HB3 LYS A 64 9.243 -0.218 3.123 1.00 61.33 H new ATOM 0 HG2 LYS A 64 10.934 -0.172 4.695 1.00 64.23 H new ATOM 0 HG3 LYS A 64 11.724 -1.164 3.485 1.00 64.23 H new ATOM 0 HD2 LYS A 64 12.813 0.976 2.563 1.00 11.34 H new ATOM 0 HD3 LYS A 64 12.149 1.838 3.937 1.00 11.34 H new ATOM 0 HE2 LYS A 64 13.421 0.323 5.478 1.00 41.53 H new ATOM 0 HE3 LYS A 64 14.112 -0.490 4.087 1.00 41.53 H new ATOM 0 HZ1 LYS A 64 15.611 1.185 4.959 1.00 1.10 H new ATOM 0 HZ2 LYS A 64 15.114 1.612 3.392 1.00 1.10 H new ATOM 0 HZ3 LYS A 64 14.444 2.399 4.739 1.00 1.10 H new ATOM 1092 N GLN A 65 12.506 -1.568 1.020 1.00 70.22 N ATOM 1093 CA GLN A 65 13.925 -1.675 0.578 1.00 23.23 C ATOM 1094 C GLN A 65 14.022 -1.951 -0.931 1.00 3.11 C ATOM 1095 O GLN A 65 14.975 -1.526 -1.582 1.00 2.04 O ATOM 1096 CB GLN A 65 14.707 -2.770 1.370 1.00 4.12 C ATOM 1097 CG GLN A 65 14.426 -4.233 0.940 1.00 61.43 C ATOM 1098 CD GLN A 65 15.192 -5.302 1.712 1.00 13.10 C ATOM 1099 OE1 GLN A 65 15.552 -6.348 1.164 1.00 64.51 O ATOM 1100 NE2 GLN A 65 15.411 -5.091 2.996 1.00 63.14 N ATOM 0 H GLN A 65 12.182 -2.354 1.584 1.00 70.22 H new ATOM 0 HA GLN A 65 14.388 -0.711 0.790 1.00 23.23 H new ATOM 0 HB2 GLN A 65 15.775 -2.577 1.264 1.00 4.12 H new ATOM 0 HB3 GLN A 65 14.468 -2.668 2.429 1.00 4.12 H new ATOM 0 HG2 GLN A 65 13.359 -4.426 1.048 1.00 61.43 H new ATOM 0 HG3 GLN A 65 14.663 -4.334 -0.119 1.00 61.43 H new ATOM 0 HE21 GLN A 65 15.105 -4.220 3.429 1.00 63.14 H new ATOM 0 HE22 GLN A 65 15.886 -5.799 3.555 1.00 63.14 H new ATOM 1109 N GLU A 66 13.030 -2.682 -1.466 1.00 1.00 N ATOM 1110 CA GLU A 66 13.010 -3.102 -2.871 1.00 12.44 C ATOM 1111 C GLU A 66 12.419 -2.006 -3.768 1.00 5.03 C ATOM 1112 O GLU A 66 12.966 -1.703 -4.834 1.00 12.31 O ATOM 1113 CB GLU A 66 12.242 -4.448 -3.015 1.00 71.10 C ATOM 1114 CG GLU A 66 12.949 -5.659 -2.375 1.00 71.41 C ATOM 1115 CD GLU A 66 14.353 -5.918 -2.956 1.00 54.44 C ATOM 1116 OE1 GLU A 66 14.449 -6.483 -4.071 1.00 41.14 O ATOM 1117 OE2 GLU A 66 15.365 -5.553 -2.314 1.00 55.24 O ATOM 0 H GLU A 66 12.220 -2.997 -0.933 1.00 1.00 H new ATOM 0 HA GLU A 66 14.035 -3.263 -3.204 1.00 12.44 H new ATOM 0 HB2 GLU A 66 11.256 -4.339 -2.564 1.00 71.10 H new ATOM 0 HB3 GLU A 66 12.087 -4.652 -4.075 1.00 71.10 H new ATOM 0 HG2 GLU A 66 13.032 -5.497 -1.300 1.00 71.41 H new ATOM 0 HG3 GLU A 66 12.334 -6.548 -2.517 1.00 71.41 H new ATOM 1124 N ALA A 67 11.309 -1.398 -3.323 1.00 73.53 N ATOM 1125 CA ALA A 67 10.632 -0.322 -4.068 1.00 13.33 C ATOM 1126 C ALA A 67 11.335 1.043 -3.883 1.00 72.23 C ATOM 1127 O ALA A 67 11.176 1.927 -4.723 1.00 50.04 O ATOM 1128 CB ALA A 67 9.163 -0.243 -3.649 1.00 55.25 C ATOM 0 H ALA A 67 10.856 -1.636 -2.441 1.00 73.53 H new ATOM 0 HA ALA A 67 10.687 -0.563 -5.130 1.00 13.33 H new ATOM 0 HB1 ALA A 67 8.669 0.555 -4.204 1.00 55.25 H new ATOM 0 HB2 ALA A 67 8.672 -1.192 -3.863 1.00 55.25 H new ATOM 0 HB3 ALA A 67 9.100 -0.035 -2.581 1.00 55.25 H new ATOM 1134 N ASN A 68 12.093 1.198 -2.765 1.00 10.00 N ATOM 1135 CA ASN A 68 12.918 2.416 -2.467 1.00 10.13 C ATOM 1136 C ASN A 68 12.038 3.673 -2.234 1.00 53.31 C ATOM 1137 O ASN A 68 12.471 4.801 -2.500 1.00 12.34 O ATOM 1138 CB ASN A 68 13.983 2.696 -3.593 1.00 63.31 C ATOM 1139 CG ASN A 68 15.092 1.645 -3.741 1.00 44.03 C ATOM 1140 OD1 ASN A 68 16.250 1.981 -4.019 1.00 2.45 O ATOM 1141 ND2 ASN A 68 14.760 0.374 -3.618 1.00 33.02 N ATOM 0 H ASN A 68 12.154 0.484 -2.039 1.00 10.00 H new ATOM 0 HA ASN A 68 13.452 2.202 -1.541 1.00 10.13 H new ATOM 0 HB2 ASN A 68 13.462 2.783 -4.546 1.00 63.31 H new ATOM 0 HB3 ASN A 68 14.448 3.662 -3.395 1.00 63.31 H new ATOM 0 HD21 ASN A 68 15.464 -0.352 -3.753 1.00 33.02 H new ATOM 0 HD22 ASN A 68 13.800 0.118 -3.388 1.00 33.02 H new ATOM 1148 N VAL A 69 10.834 3.485 -1.658 1.00 52.53 N ATOM 1149 CA VAL A 69 9.799 4.556 -1.584 1.00 40.34 C ATOM 1150 C VAL A 69 9.483 4.979 -0.142 1.00 13.02 C ATOM 1151 O VAL A 69 9.917 4.330 0.815 1.00 14.53 O ATOM 1152 CB VAL A 69 8.479 4.100 -2.302 1.00 53.53 C ATOM 1153 CG1 VAL A 69 8.730 3.897 -3.804 1.00 53.51 C ATOM 1154 CG2 VAL A 69 7.903 2.821 -1.648 1.00 3.31 C ATOM 0 H VAL A 69 10.546 2.603 -1.234 1.00 52.53 H new ATOM 0 HA VAL A 69 10.216 5.424 -2.095 1.00 40.34 H new ATOM 0 HB VAL A 69 7.734 4.888 -2.187 1.00 53.53 H new ATOM 0 HG11 VAL A 69 7.806 3.581 -4.288 1.00 53.51 H new ATOM 0 HG12 VAL A 69 9.069 4.834 -4.246 1.00 53.51 H new ATOM 0 HG13 VAL A 69 9.493 3.132 -3.945 1.00 53.51 H new ATOM 0 HG21 VAL A 69 6.989 2.528 -2.165 1.00 3.31 H new ATOM 0 HG22 VAL A 69 8.634 2.016 -1.718 1.00 3.31 H new ATOM 0 HG23 VAL A 69 7.679 3.018 -0.599 1.00 3.31 H new ATOM 1164 N GLN A 70 8.713 6.083 -0.028 1.00 34.40 N ATOM 1165 CA GLN A 70 8.271 6.656 1.252 1.00 21.45 C ATOM 1166 C GLN A 70 7.399 5.641 2.018 1.00 11.22 C ATOM 1167 O GLN A 70 6.436 5.099 1.458 1.00 61.14 O ATOM 1168 CB GLN A 70 7.470 7.960 0.994 1.00 21.14 C ATOM 1169 CG GLN A 70 8.217 9.043 0.189 1.00 15.54 C ATOM 1170 CD GLN A 70 9.421 9.631 0.922 1.00 54.11 C ATOM 1171 OE1 GLN A 70 10.547 9.154 0.790 1.00 73.14 O ATOM 1172 NE2 GLN A 70 9.194 10.664 1.717 1.00 24.02 N ATOM 0 H GLN A 70 8.379 6.605 -0.838 1.00 34.40 H new ATOM 0 HA GLN A 70 9.147 6.889 1.858 1.00 21.45 H new ATOM 0 HB2 GLN A 70 6.552 7.705 0.464 1.00 21.14 H new ATOM 0 HB3 GLN A 70 7.176 8.383 1.955 1.00 21.14 H new ATOM 0 HG2 GLN A 70 8.552 8.615 -0.756 1.00 15.54 H new ATOM 0 HG3 GLN A 70 7.522 9.847 -0.054 1.00 15.54 H new ATOM 0 HE21 GLN A 70 8.250 11.040 1.808 1.00 24.02 H new ATOM 0 HE22 GLN A 70 9.963 11.085 2.239 1.00 24.02 H new ATOM 1181 N VAL A 71 7.744 5.412 3.298 1.00 1.15 N ATOM 1182 CA VAL A 71 7.172 4.323 4.116 1.00 35.22 C ATOM 1183 C VAL A 71 6.016 4.845 4.984 1.00 64.11 C ATOM 1184 O VAL A 71 6.240 5.624 5.913 1.00 30.23 O ATOM 1185 CB VAL A 71 8.271 3.675 5.051 1.00 2.01 C ATOM 1186 CG1 VAL A 71 7.743 2.399 5.753 1.00 40.13 C ATOM 1187 CG2 VAL A 71 9.564 3.388 4.261 1.00 60.23 C ATOM 0 H VAL A 71 8.430 5.978 3.797 1.00 1.15 H new ATOM 0 HA VAL A 71 6.796 3.563 3.430 1.00 35.22 H new ATOM 0 HB VAL A 71 8.508 4.397 5.833 1.00 2.01 H new ATOM 0 HG11 VAL A 71 8.526 1.982 6.387 1.00 40.13 H new ATOM 0 HG12 VAL A 71 6.877 2.652 6.365 1.00 40.13 H new ATOM 0 HG13 VAL A 71 7.454 1.664 5.002 1.00 40.13 H new ATOM 0 HG21 VAL A 71 10.305 2.943 4.925 1.00 60.23 H new ATOM 0 HG22 VAL A 71 9.347 2.698 3.445 1.00 60.23 H new ATOM 0 HG23 VAL A 71 9.956 4.320 3.853 1.00 60.23 H new ATOM 1197 N TYR A 72 4.776 4.447 4.655 1.00 41.43 N ATOM 1198 CA TYR A 72 3.596 4.716 5.502 1.00 35.31 C ATOM 1199 C TYR A 72 2.977 3.385 5.915 1.00 52.15 C ATOM 1200 O TYR A 72 2.284 2.754 5.126 1.00 61.53 O ATOM 1201 CB TYR A 72 2.554 5.586 4.745 1.00 71.02 C ATOM 1202 CG TYR A 72 3.089 6.958 4.341 1.00 52.23 C ATOM 1203 CD1 TYR A 72 2.972 8.062 5.194 1.00 72.01 C ATOM 1204 CD2 TYR A 72 3.747 7.144 3.123 1.00 52.20 C ATOM 1205 CE1 TYR A 72 3.486 9.292 4.839 1.00 21.22 C ATOM 1206 CE2 TYR A 72 4.254 8.372 2.769 1.00 70.21 C ATOM 1207 CZ TYR A 72 4.128 9.443 3.628 1.00 34.24 C ATOM 1208 OH TYR A 72 4.658 10.667 3.278 1.00 42.32 O ATOM 0 H TYR A 72 4.561 3.933 3.801 1.00 41.43 H new ATOM 0 HA TYR A 72 3.907 5.271 6.387 1.00 35.31 H new ATOM 0 HB2 TYR A 72 2.228 5.054 3.851 1.00 71.02 H new ATOM 0 HB3 TYR A 72 1.675 5.718 5.376 1.00 71.02 H new ATOM 0 HD1 TYR A 72 2.472 7.949 6.144 1.00 72.01 H new ATOM 0 HD2 TYR A 72 3.859 6.309 2.448 1.00 52.20 H new ATOM 0 HE1 TYR A 72 3.386 10.134 5.508 1.00 21.22 H new ATOM 0 HE2 TYR A 72 4.751 8.498 1.818 1.00 70.21 H new ATOM 0 HH TYR A 72 5.077 10.602 2.394 1.00 42.32 H new ATOM 1218 N ARG A 73 3.259 2.944 7.143 1.00 13.24 N ATOM 1219 CA ARG A 73 2.656 1.734 7.701 1.00 42.44 C ATOM 1220 C ARG A 73 1.392 2.137 8.449 1.00 54.24 C ATOM 1221 O ARG A 73 1.455 2.893 9.427 1.00 3.02 O ATOM 1222 CB ARG A 73 3.633 0.990 8.641 1.00 43.52 C ATOM 1223 CG ARG A 73 3.075 -0.340 9.214 1.00 4.33 C ATOM 1224 CD ARG A 73 4.086 -1.080 10.105 1.00 14.31 C ATOM 1225 NE ARG A 73 4.564 -0.234 11.211 1.00 4.43 N ATOM 1226 CZ ARG A 73 5.663 -0.462 11.949 1.00 54.42 C ATOM 1227 NH1 ARG A 73 6.443 -1.516 11.724 1.00 71.00 N ATOM 1228 NH2 ARG A 73 5.979 0.377 12.921 1.00 72.40 N ATOM 0 H ARG A 73 3.908 3.413 7.775 1.00 13.24 H new ATOM 0 HA ARG A 73 2.414 1.045 6.892 1.00 42.44 H new ATOM 0 HB2 ARG A 73 4.554 0.780 8.097 1.00 43.52 H new ATOM 0 HB3 ARG A 73 3.895 1.648 9.469 1.00 43.52 H new ATOM 0 HG2 ARG A 73 2.174 -0.131 9.792 1.00 4.33 H new ATOM 0 HG3 ARG A 73 2.781 -0.990 8.390 1.00 4.33 H new ATOM 0 HD2 ARG A 73 3.623 -1.980 10.510 1.00 14.31 H new ATOM 0 HD3 ARG A 73 4.934 -1.402 9.501 1.00 14.31 H new ATOM 0 HE ARG A 73 4.014 0.595 11.436 1.00 4.43 H new ATOM 0 HH11 ARG A 73 6.211 -2.172 10.978 1.00 71.00 H new ATOM 0 HH12 ARG A 73 7.273 -1.668 12.298 1.00 71.00 H new ATOM 0 HH21 ARG A 73 5.390 1.189 13.105 1.00 72.40 H new ATOM 0 HH22 ARG A 73 6.812 0.212 13.487 1.00 72.40 H new ATOM 1242 N VAL A 74 0.251 1.683 7.947 1.00 11.30 N ATOM 1243 CA VAL A 74 -1.053 1.910 8.569 1.00 64.15 C ATOM 1244 C VAL A 74 -1.544 0.606 9.209 1.00 61.34 C ATOM 1245 O VAL A 74 -1.493 -0.454 8.591 1.00 12.01 O ATOM 1246 CB VAL A 74 -2.071 2.462 7.506 1.00 45.51 C ATOM 1247 CG1 VAL A 74 -3.536 2.302 7.956 1.00 41.25 C ATOM 1248 CG2 VAL A 74 -1.752 3.943 7.180 1.00 4.02 C ATOM 0 H VAL A 74 0.201 1.139 7.085 1.00 11.30 H new ATOM 0 HA VAL A 74 -0.966 2.661 9.354 1.00 64.15 H new ATOM 0 HB VAL A 74 -1.955 1.865 6.602 1.00 45.51 H new ATOM 0 HG11 VAL A 74 -4.198 2.699 7.187 1.00 41.25 H new ATOM 0 HG12 VAL A 74 -3.755 1.246 8.114 1.00 41.25 H new ATOM 0 HG13 VAL A 74 -3.693 2.848 8.886 1.00 41.25 H new ATOM 0 HG21 VAL A 74 -2.464 4.315 6.443 1.00 4.02 H new ATOM 0 HG22 VAL A 74 -1.826 4.540 8.089 1.00 4.02 H new ATOM 0 HG23 VAL A 74 -0.741 4.018 6.779 1.00 4.02 H new ATOM 1258 N THR A 75 -1.980 0.694 10.473 1.00 30.14 N ATOM 1259 CA THR A 75 -2.569 -0.435 11.225 1.00 1.13 C ATOM 1260 C THR A 75 -3.970 -0.063 11.768 1.00 70.40 C ATOM 1261 O THR A 75 -4.560 -0.811 12.555 1.00 42.25 O ATOM 1262 CB THR A 75 -1.618 -0.867 12.391 1.00 70.12 C ATOM 1263 OG1 THR A 75 -1.297 0.280 13.193 1.00 3.44 O ATOM 1264 CG2 THR A 75 -0.312 -1.512 11.876 1.00 63.12 C ATOM 0 H THR A 75 -1.935 1.558 11.013 1.00 30.14 H new ATOM 0 HA THR A 75 -2.686 -1.278 10.545 1.00 1.13 H new ATOM 0 HB THR A 75 -2.144 -1.616 12.983 1.00 70.12 H new ATOM 0 HG1 THR A 75 -0.703 0.012 13.925 1.00 3.44 H new ATOM 0 HG21 THR A 75 0.313 -1.794 12.723 1.00 63.12 H new ATOM 0 HG22 THR A 75 -0.551 -2.399 11.290 1.00 63.12 H new ATOM 0 HG23 THR A 75 0.224 -0.798 11.251 1.00 63.12 H new ATOM 1272 N SER A 76 -4.504 1.094 11.318 1.00 21.30 N ATOM 1273 CA SER A 76 -5.843 1.596 11.703 1.00 10.44 C ATOM 1274 C SER A 76 -6.425 2.464 10.566 1.00 32.45 C ATOM 1275 O SER A 76 -5.691 3.240 9.948 1.00 45.22 O ATOM 1276 CB SER A 76 -5.765 2.417 13.018 1.00 34.02 C ATOM 1277 OG SER A 76 -5.314 1.624 14.108 1.00 33.32 O ATOM 0 H SER A 76 -4.014 1.712 10.671 1.00 21.30 H new ATOM 0 HA SER A 76 -6.499 0.742 11.872 1.00 10.44 H new ATOM 0 HB2 SER A 76 -5.091 3.262 12.880 1.00 34.02 H new ATOM 0 HB3 SER A 76 -6.748 2.828 13.249 1.00 34.02 H new ATOM 0 HG SER A 76 -5.276 2.174 14.919 1.00 33.32 H new ATOM 1283 N ASN A 77 -7.745 2.348 10.328 1.00 34.41 N ATOM 1284 CA ASN A 77 -8.456 3.066 9.241 1.00 21.51 C ATOM 1285 C ASN A 77 -8.288 4.591 9.363 1.00 64.14 C ATOM 1286 O ASN A 77 -8.184 5.284 8.351 1.00 72.32 O ATOM 1287 CB ASN A 77 -9.966 2.710 9.243 1.00 63.13 C ATOM 1288 CG ASN A 77 -10.242 1.208 9.104 1.00 14.21 C ATOM 1289 OD1 ASN A 77 -9.495 0.477 8.450 1.00 42.52 O ATOM 1290 ND2 ASN A 77 -11.316 0.734 9.726 1.00 63.23 N ATOM 0 H ASN A 77 -8.356 1.751 10.885 1.00 34.41 H new ATOM 0 HA ASN A 77 -8.010 2.745 8.300 1.00 21.51 H new ATOM 0 HB2 ASN A 77 -10.414 3.069 10.169 1.00 63.13 H new ATOM 0 HB3 ASN A 77 -10.457 3.238 8.426 1.00 63.13 H new ATOM 0 HD21 ASN A 77 -11.541 -0.259 9.670 1.00 63.23 H new ATOM 0 HD22 ASN A 77 -11.915 1.363 10.260 1.00 63.23 H new ATOM 1297 N ASP A 78 -8.253 5.086 10.626 1.00 11.03 N ATOM 1298 CA ASP A 78 -8.023 6.513 10.953 1.00 51.14 C ATOM 1299 C ASP A 78 -6.728 7.028 10.308 1.00 11.04 C ATOM 1300 O ASP A 78 -6.710 8.105 9.700 1.00 72.31 O ATOM 1301 CB ASP A 78 -7.939 6.719 12.495 1.00 3.03 C ATOM 1302 CG ASP A 78 -9.266 6.447 13.222 1.00 35.13 C ATOM 1303 OD1 ASP A 78 -10.127 7.349 13.266 1.00 74.24 O ATOM 1304 OD2 ASP A 78 -9.458 5.332 13.749 1.00 62.13 O ATOM 0 H ASP A 78 -8.385 4.500 11.451 1.00 11.03 H new ATOM 0 HA ASP A 78 -8.867 7.077 10.556 1.00 51.14 H new ATOM 0 HB2 ASP A 78 -7.170 6.061 12.900 1.00 3.03 H new ATOM 0 HB3 ASP A 78 -7.624 7.742 12.701 1.00 3.03 H new ATOM 1309 N GLU A 79 -5.657 6.216 10.437 1.00 33.05 N ATOM 1310 CA GLU A 79 -4.316 6.549 9.926 1.00 51.44 C ATOM 1311 C GLU A 79 -4.350 6.658 8.398 1.00 32.22 C ATOM 1312 O GLU A 79 -3.839 7.623 7.835 1.00 55.24 O ATOM 1313 CB GLU A 79 -3.276 5.481 10.368 1.00 62.03 C ATOM 1314 CG GLU A 79 -3.296 5.151 11.874 1.00 12.52 C ATOM 1315 CD GLU A 79 -3.161 6.389 12.776 1.00 33.02 C ATOM 1316 OE1 GLU A 79 -2.035 6.900 12.949 1.00 61.12 O ATOM 1317 OE2 GLU A 79 -4.185 6.864 13.311 1.00 52.15 O ATOM 0 H GLU A 79 -5.702 5.309 10.901 1.00 33.05 H new ATOM 0 HA GLU A 79 -4.015 7.510 10.344 1.00 51.44 H new ATOM 0 HB2 GLU A 79 -3.455 4.564 9.806 1.00 62.03 H new ATOM 0 HB3 GLU A 79 -2.279 5.830 10.099 1.00 62.03 H new ATOM 0 HG2 GLU A 79 -4.227 4.637 12.113 1.00 12.52 H new ATOM 0 HG3 GLU A 79 -2.484 4.459 12.097 1.00 12.52 H new ATOM 1324 N LEU A 80 -5.020 5.675 7.764 1.00 54.24 N ATOM 1325 CA LEU A 80 -5.166 5.591 6.302 1.00 45.02 C ATOM 1326 C LEU A 80 -5.820 6.876 5.762 1.00 61.41 C ATOM 1327 O LEU A 80 -5.283 7.508 4.851 1.00 62.00 O ATOM 1328 CB LEU A 80 -5.996 4.311 5.936 1.00 43.35 C ATOM 1329 CG LEU A 80 -6.260 3.983 4.418 1.00 50.12 C ATOM 1330 CD1 LEU A 80 -7.453 4.763 3.841 1.00 4.14 C ATOM 1331 CD2 LEU A 80 -4.990 4.197 3.560 1.00 23.30 C ATOM 0 H LEU A 80 -5.479 4.911 8.260 1.00 54.24 H new ATOM 0 HA LEU A 80 -4.186 5.504 5.833 1.00 45.02 H new ATOM 0 HB2 LEU A 80 -5.488 3.452 6.375 1.00 43.35 H new ATOM 0 HB3 LEU A 80 -6.965 4.395 6.428 1.00 43.35 H new ATOM 0 HG LEU A 80 -6.523 2.926 4.376 1.00 50.12 H new ATOM 0 HD11 LEU A 80 -7.588 4.498 2.793 1.00 4.14 H new ATOM 0 HD12 LEU A 80 -8.356 4.512 4.398 1.00 4.14 H new ATOM 0 HD13 LEU A 80 -7.262 5.833 3.923 1.00 4.14 H new ATOM 0 HD21 LEU A 80 -5.210 3.961 2.519 1.00 23.30 H new ATOM 0 HD22 LEU A 80 -4.670 5.236 3.637 1.00 23.30 H new ATOM 0 HD23 LEU A 80 -4.194 3.545 3.919 1.00 23.30 H new ATOM 1343 N GLU A 81 -6.958 7.259 6.380 1.00 35.44 N ATOM 1344 CA GLU A 81 -7.774 8.409 5.944 1.00 0.31 C ATOM 1345 C GLU A 81 -6.970 9.711 5.977 1.00 24.41 C ATOM 1346 O GLU A 81 -6.947 10.440 4.988 1.00 41.33 O ATOM 1347 CB GLU A 81 -9.044 8.536 6.821 1.00 70.44 C ATOM 1348 CG GLU A 81 -10.000 7.338 6.698 1.00 5.34 C ATOM 1349 CD GLU A 81 -11.247 7.473 7.580 1.00 2.22 C ATOM 1350 OE1 GLU A 81 -11.208 7.046 8.753 1.00 1.22 O ATOM 1351 OE2 GLU A 81 -12.271 8.023 7.105 1.00 53.12 O ATOM 0 H GLU A 81 -7.336 6.778 7.196 1.00 35.44 H new ATOM 0 HA GLU A 81 -8.076 8.230 4.912 1.00 0.31 H new ATOM 0 HB2 GLU A 81 -8.746 8.646 7.864 1.00 70.44 H new ATOM 0 HB3 GLU A 81 -9.577 9.445 6.544 1.00 70.44 H new ATOM 0 HG2 GLU A 81 -10.307 7.231 5.658 1.00 5.34 H new ATOM 0 HG3 GLU A 81 -9.468 6.426 6.968 1.00 5.34 H new ATOM 1358 N GLN A 82 -6.267 9.951 7.100 1.00 33.00 N ATOM 1359 CA GLN A 82 -5.522 11.204 7.320 1.00 73.54 C ATOM 1360 C GLN A 82 -4.304 11.299 6.383 1.00 11.52 C ATOM 1361 O GLN A 82 -3.948 12.396 5.943 1.00 41.41 O ATOM 1362 CB GLN A 82 -5.103 11.345 8.806 1.00 3.41 C ATOM 1363 CG GLN A 82 -6.279 11.306 9.809 1.00 15.43 C ATOM 1364 CD GLN A 82 -7.387 12.325 9.516 1.00 52.51 C ATOM 1365 OE1 GLN A 82 -7.354 13.459 9.991 1.00 4.41 O ATOM 1366 NE2 GLN A 82 -8.386 11.925 8.747 1.00 72.23 N ATOM 0 H GLN A 82 -6.200 9.289 7.873 1.00 33.00 H new ATOM 0 HA GLN A 82 -6.185 12.035 7.081 1.00 73.54 H new ATOM 0 HB2 GLN A 82 -4.406 10.544 9.052 1.00 3.41 H new ATOM 0 HB3 GLN A 82 -4.566 12.285 8.931 1.00 3.41 H new ATOM 0 HG2 GLN A 82 -6.711 10.305 9.807 1.00 15.43 H new ATOM 0 HG3 GLN A 82 -5.893 11.484 10.812 1.00 15.43 H new ATOM 0 HE21 GLN A 82 -8.389 10.979 8.366 1.00 72.23 H new ATOM 0 HE22 GLN A 82 -9.153 12.563 8.535 1.00 72.23 H new ATOM 1375 N VAL A 83 -3.685 10.136 6.072 1.00 3.32 N ATOM 1376 CA VAL A 83 -2.584 10.052 5.096 1.00 0.21 C ATOM 1377 C VAL A 83 -3.094 10.439 3.692 1.00 14.34 C ATOM 1378 O VAL A 83 -2.505 11.305 3.052 1.00 33.21 O ATOM 1379 CB VAL A 83 -1.901 8.626 5.077 1.00 42.23 C ATOM 1380 CG1 VAL A 83 -0.913 8.469 3.894 1.00 55.22 C ATOM 1381 CG2 VAL A 83 -1.174 8.344 6.417 1.00 65.43 C ATOM 0 H VAL A 83 -3.935 9.239 6.489 1.00 3.32 H new ATOM 0 HA VAL A 83 -1.815 10.760 5.405 1.00 0.21 H new ATOM 0 HB VAL A 83 -2.698 7.895 4.944 1.00 42.23 H new ATOM 0 HG11 VAL A 83 -0.468 7.474 3.921 1.00 55.22 H new ATOM 0 HG12 VAL A 83 -1.448 8.602 2.953 1.00 55.22 H new ATOM 0 HG13 VAL A 83 -0.127 9.220 3.974 1.00 55.22 H new ATOM 0 HG21 VAL A 83 -0.712 7.357 6.380 1.00 65.43 H new ATOM 0 HG22 VAL A 83 -0.405 9.099 6.579 1.00 65.43 H new ATOM 0 HG23 VAL A 83 -1.893 8.377 7.235 1.00 65.43 H new ATOM 1391 N VAL A 84 -4.227 9.832 3.258 1.00 51.11 N ATOM 1392 CA VAL A 84 -4.822 10.075 1.920 1.00 75.24 C ATOM 1393 C VAL A 84 -5.208 11.557 1.744 1.00 13.20 C ATOM 1394 O VAL A 84 -4.912 12.160 0.711 1.00 54.34 O ATOM 1395 CB VAL A 84 -6.086 9.169 1.652 1.00 52.22 C ATOM 1396 CG1 VAL A 84 -6.753 9.521 0.297 1.00 53.02 C ATOM 1397 CG2 VAL A 84 -5.720 7.665 1.700 1.00 64.40 C ATOM 0 H VAL A 84 -4.751 9.164 3.823 1.00 51.11 H new ATOM 0 HA VAL A 84 -4.055 9.811 1.192 1.00 75.24 H new ATOM 0 HB VAL A 84 -6.804 9.370 2.447 1.00 52.22 H new ATOM 0 HG11 VAL A 84 -7.621 8.880 0.141 1.00 53.02 H new ATOM 0 HG12 VAL A 84 -7.070 10.564 0.307 1.00 53.02 H new ATOM 0 HG13 VAL A 84 -6.038 9.367 -0.511 1.00 53.02 H new ATOM 0 HG21 VAL A 84 -6.612 7.067 1.512 1.00 64.40 H new ATOM 0 HG22 VAL A 84 -4.971 7.448 0.939 1.00 64.40 H new ATOM 0 HG23 VAL A 84 -5.320 7.419 2.684 1.00 64.40 H new ATOM 1407 N LYS A 85 -5.850 12.123 2.782 1.00 72.32 N ATOM 1408 CA LYS A 85 -6.296 13.530 2.796 1.00 21.54 C ATOM 1409 C LYS A 85 -5.092 14.490 2.700 1.00 60.32 C ATOM 1410 O LYS A 85 -5.168 15.528 2.038 1.00 22.11 O ATOM 1411 CB LYS A 85 -7.130 13.809 4.077 1.00 41.21 C ATOM 1412 CG LYS A 85 -8.486 13.055 4.122 1.00 21.42 C ATOM 1413 CD LYS A 85 -9.199 13.153 5.492 1.00 24.43 C ATOM 1414 CE LYS A 85 -9.496 14.600 5.937 1.00 61.42 C ATOM 1415 NZ LYS A 85 -10.327 15.344 4.947 1.00 34.33 N ATOM 0 H LYS A 85 -6.075 11.616 3.638 1.00 72.32 H new ATOM 0 HA LYS A 85 -6.928 13.705 1.925 1.00 21.54 H new ATOM 0 HB2 LYS A 85 -6.541 13.529 4.950 1.00 41.21 H new ATOM 0 HB3 LYS A 85 -7.319 14.880 4.150 1.00 41.21 H new ATOM 0 HG2 LYS A 85 -9.142 13.456 3.350 1.00 21.42 H new ATOM 0 HG3 LYS A 85 -8.317 12.005 3.883 1.00 21.42 H new ATOM 0 HD2 LYS A 85 -10.136 12.598 5.444 1.00 24.43 H new ATOM 0 HD3 LYS A 85 -8.581 12.670 6.248 1.00 24.43 H new ATOM 0 HE2 LYS A 85 -10.010 14.583 6.898 1.00 61.42 H new ATOM 0 HE3 LYS A 85 -8.556 15.130 6.088 1.00 61.42 H new ATOM 0 HZ1 LYS A 85 -10.512 16.304 5.301 1.00 34.33 H new ATOM 0 HZ2 LYS A 85 -9.820 15.401 4.041 1.00 34.33 H new ATOM 0 HZ3 LYS A 85 -11.230 14.846 4.808 1.00 34.33 H new ATOM 1429 N ASP A 86 -3.979 14.101 3.343 1.00 12.11 N ATOM 1430 CA ASP A 86 -2.710 14.855 3.304 1.00 41.22 C ATOM 1431 C ASP A 86 -2.059 14.761 1.902 1.00 54.23 C ATOM 1432 O ASP A 86 -1.508 15.749 1.404 1.00 21.41 O ATOM 1433 CB ASP A 86 -1.747 14.330 4.404 1.00 52.11 C ATOM 1434 CG ASP A 86 -0.390 15.057 4.428 1.00 3.12 C ATOM 1435 OD1 ASP A 86 -0.332 16.216 4.903 1.00 63.02 O ATOM 1436 OD2 ASP A 86 0.626 14.474 3.982 1.00 64.10 O ATOM 0 H ASP A 86 -3.931 13.252 3.907 1.00 12.11 H new ATOM 0 HA ASP A 86 -2.919 15.906 3.501 1.00 41.22 H new ATOM 0 HB2 ASP A 86 -2.226 14.438 5.377 1.00 52.11 H new ATOM 0 HB3 ASP A 86 -1.577 13.265 4.249 1.00 52.11 H new ATOM 1441 N VAL A 87 -2.170 13.575 1.260 1.00 44.04 N ATOM 1442 CA VAL A 87 -1.662 13.329 -0.114 1.00 44.45 C ATOM 1443 C VAL A 87 -2.463 14.150 -1.139 1.00 42.31 C ATOM 1444 O VAL A 87 -1.913 14.644 -2.133 1.00 54.10 O ATOM 1445 CB VAL A 87 -1.721 11.786 -0.465 1.00 45.04 C ATOM 1446 CG1 VAL A 87 -1.368 11.495 -1.948 1.00 42.40 C ATOM 1447 CG2 VAL A 87 -0.794 10.985 0.474 1.00 1.12 C ATOM 0 H VAL A 87 -2.615 12.759 1.679 1.00 44.04 H new ATOM 0 HA VAL A 87 -0.620 13.647 -0.157 1.00 44.45 H new ATOM 0 HB VAL A 87 -2.752 11.467 -0.315 1.00 45.04 H new ATOM 0 HG11 VAL A 87 -1.425 10.422 -2.132 1.00 42.40 H new ATOM 0 HG12 VAL A 87 -2.074 12.012 -2.598 1.00 42.40 H new ATOM 0 HG13 VAL A 87 -0.358 11.846 -2.157 1.00 42.40 H new ATOM 0 HG21 VAL A 87 -0.846 9.926 0.220 1.00 1.12 H new ATOM 0 HG22 VAL A 87 0.232 11.336 0.359 1.00 1.12 H new ATOM 0 HG23 VAL A 87 -1.112 11.126 1.507 1.00 1.12 H new