USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 785 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 13 LYS NZ :NH3+ 161:sc= 1.52 (180deg=-0.241) USER MOD Set 1.2: A 39 TYR OH : rot -30:sc= 1.03 USER MOD Single : A 8 THR OG1 : rot 30:sc= 0.0131 USER MOD Single : A 9 SER OG : rot -160:sc= -2.58 USER MOD Single : A 19 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.2) USER MOD Single : A 20 ASN : amide:sc= -2.77! C(o=-2.8!,f=-1.7!) USER MOD Single : A 27 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.56) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.174) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.333 USER MOD Single : A 37 THR OG1 : rot -146:sc= 0.828 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.805 K(o=-0.81,f=-0.034) USER MOD Single : A 50 GLN : amide:sc= -0.523 K(o=-0.52,f=-0.0042) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0126) USER MOD Single : A 58 LYS NZ :NH3+ -130:sc= 0.386 (180deg=-0.0076) USER MOD Single : A 59 HIS : no HE2:sc= -0.294 K(o=-0.29,f=-1.3) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 71 ASN : amide:sc= -0.901 X(o=-0.9,f=-1.2) USER MOD Single : A 72 GLN : amide:sc= -1.38 X(o=-1.4,f=-0.93) USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 78 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0061) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 86 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.3) USER MOD Single : A 87 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0524) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -148:sc= 0 (180deg=-0.626) USER MOD Single : A 96 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.65) USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= 0.306 (180deg=-0.0136) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.540 -17.718 -4.322 1.00 32.54 N ATOM 100 CA THR A 8 1.840 -16.446 -4.993 1.00 60.25 C ATOM 101 C THR A 8 2.138 -15.352 -3.963 1.00 13.43 C ATOM 102 O THR A 8 1.273 -14.983 -3.169 1.00 43.51 O ATOM 103 CB THR A 8 0.666 -15.982 -5.900 1.00 5.22 C ATOM 104 OG1 THR A 8 0.445 -16.933 -6.956 1.00 41.21 O ATOM 105 CG2 THR A 8 0.934 -14.609 -6.511 1.00 73.15 C ATOM 0 HA THR A 8 2.717 -16.614 -5.618 1.00 60.25 H new ATOM 0 HB THR A 8 -0.221 -15.913 -5.271 1.00 5.22 H new ATOM 0 HG1 THR A 8 0.696 -17.829 -6.647 1.00 41.21 H new ATOM 0 HG21 THR A 8 0.091 -14.319 -7.138 1.00 73.15 H new ATOM 0 HG22 THR A 8 1.063 -13.876 -5.715 1.00 73.15 H new ATOM 0 HG23 THR A 8 1.839 -14.651 -7.116 1.00 73.15 H new ATOM 113 N SER A 9 3.366 -14.848 -3.966 1.00 71.51 N ATOM 114 CA SER A 9 3.767 -13.775 -3.049 1.00 53.35 C ATOM 115 C SER A 9 3.228 -12.414 -3.516 1.00 74.44 C ATOM 116 O SER A 9 2.968 -12.209 -4.701 1.00 61.32 O ATOM 117 CB SER A 9 5.297 -13.734 -2.913 1.00 3.24 C ATOM 118 OG SER A 9 5.936 -14.028 -4.143 1.00 14.44 O ATOM 0 H SER A 9 4.107 -15.162 -4.593 1.00 71.51 H new ATOM 0 HA SER A 9 3.334 -13.986 -2.071 1.00 53.35 H new ATOM 0 HB2 SER A 9 5.606 -12.747 -2.568 1.00 3.24 H new ATOM 0 HB3 SER A 9 5.615 -14.451 -2.156 1.00 3.24 H new ATOM 0 HG SER A 9 6.860 -14.305 -3.973 1.00 14.44 H new ATOM 124 N PHE A 10 3.065 -11.486 -2.580 1.00 14.45 N ATOM 125 CA PHE A 10 2.472 -10.176 -2.878 1.00 41.31 C ATOM 126 C PHE A 10 3.449 -9.036 -2.562 1.00 61.14 C ATOM 127 O PHE A 10 4.175 -9.083 -1.566 1.00 72.22 O ATOM 128 CB PHE A 10 1.175 -9.983 -2.078 1.00 5.00 C ATOM 129 CG PHE A 10 0.113 -11.018 -2.372 1.00 43.43 C ATOM 130 CD1 PHE A 10 -0.707 -10.898 -3.487 1.00 64.21 C ATOM 131 CD2 PHE A 10 -0.066 -12.111 -1.532 1.00 24.15 C ATOM 132 CE1 PHE A 10 -1.681 -11.843 -3.757 1.00 51.31 C ATOM 133 CE2 PHE A 10 -1.040 -13.057 -1.798 1.00 71.20 C ATOM 134 CZ PHE A 10 -1.846 -12.923 -2.912 1.00 65.15 C ATOM 0 H PHE A 10 3.334 -11.612 -1.604 1.00 14.45 H new ATOM 0 HA PHE A 10 2.247 -10.149 -3.944 1.00 41.31 H new ATOM 0 HB2 PHE A 10 1.409 -10.009 -1.014 1.00 5.00 H new ATOM 0 HB3 PHE A 10 0.772 -8.993 -2.291 1.00 5.00 H new ATOM 0 HD1 PHE A 10 -0.583 -10.056 -4.152 1.00 64.21 H new ATOM 0 HD2 PHE A 10 0.563 -12.223 -0.661 1.00 24.15 H new ATOM 0 HE1 PHE A 10 -2.311 -11.736 -4.627 1.00 51.31 H new ATOM 0 HE2 PHE A 10 -1.170 -13.900 -1.135 1.00 71.20 H new ATOM 0 HZ PHE A 10 -2.605 -13.662 -3.122 1.00 65.15 H new ATOM 144 N ILE A 11 3.460 -8.020 -3.419 1.00 43.50 N ATOM 145 CA ILE A 11 4.320 -6.847 -3.241 1.00 44.42 C ATOM 146 C ILE A 11 3.480 -5.564 -3.155 1.00 52.43 C ATOM 147 O ILE A 11 2.481 -5.420 -3.854 1.00 15.40 O ATOM 148 CB ILE A 11 5.328 -6.707 -4.413 1.00 74.43 C ATOM 149 CG1 ILE A 11 6.098 -8.023 -4.627 1.00 53.31 C ATOM 150 CG2 ILE A 11 6.298 -5.549 -4.160 1.00 42.34 C ATOM 151 CD1 ILE A 11 7.132 -7.950 -5.734 1.00 1.33 C ATOM 0 H ILE A 11 2.877 -7.983 -4.255 1.00 43.50 H new ATOM 0 HA ILE A 11 4.869 -6.989 -2.310 1.00 44.42 H new ATOM 0 HB ILE A 11 4.766 -6.488 -5.321 1.00 74.43 H new ATOM 0 HG12 ILE A 11 6.594 -8.299 -3.696 1.00 53.31 H new ATOM 0 HG13 ILE A 11 5.387 -8.817 -4.857 1.00 53.31 H new ATOM 0 HG21 ILE A 11 6.995 -5.470 -4.994 1.00 42.34 H new ATOM 0 HG22 ILE A 11 5.738 -4.619 -4.066 1.00 42.34 H new ATOM 0 HG23 ILE A 11 6.853 -5.733 -3.240 1.00 42.34 H new ATOM 0 HD11 ILE A 11 7.634 -8.913 -5.827 1.00 1.33 H new ATOM 0 HD12 ILE A 11 6.640 -7.705 -6.675 1.00 1.33 H new ATOM 0 HD13 ILE A 11 7.866 -7.180 -5.496 1.00 1.33 H new ATOM 163 N LEU A 12 3.888 -4.634 -2.296 1.00 41.54 N ATOM 164 CA LEU A 12 3.193 -3.348 -2.162 1.00 71.10 C ATOM 165 C LEU A 12 3.977 -2.217 -2.852 1.00 41.12 C ATOM 166 O LEU A 12 5.063 -1.840 -2.402 1.00 22.13 O ATOM 167 CB LEU A 12 2.992 -3.017 -0.674 1.00 74.53 C ATOM 168 CG LEU A 12 2.228 -1.711 -0.380 1.00 21.42 C ATOM 169 CD1 LEU A 12 0.791 -1.790 -0.890 1.00 60.03 C ATOM 170 CD2 LEU A 12 2.249 -1.398 1.113 1.00 61.40 C ATOM 0 H LEU A 12 4.695 -4.742 -1.681 1.00 41.54 H new ATOM 0 HA LEU A 12 2.222 -3.432 -2.650 1.00 71.10 H new ATOM 0 HB2 LEU A 12 2.457 -3.843 -0.205 1.00 74.53 H new ATOM 0 HB3 LEU A 12 3.971 -2.960 -0.197 1.00 74.53 H new ATOM 0 HG LEU A 12 2.731 -0.902 -0.909 1.00 21.42 H new ATOM 0 HD11 LEU A 12 0.275 -0.856 -0.670 1.00 60.03 H new ATOM 0 HD12 LEU A 12 0.796 -1.956 -1.967 1.00 60.03 H new ATOM 0 HD13 LEU A 12 0.275 -2.614 -0.398 1.00 60.03 H new ATOM 0 HD21 LEU A 12 1.704 -0.472 1.298 1.00 61.40 H new ATOM 0 HD22 LEU A 12 1.777 -2.213 1.662 1.00 61.40 H new ATOM 0 HD23 LEU A 12 3.281 -1.285 1.447 1.00 61.40 H new ATOM 182 N LYS A 13 3.442 -1.694 -3.956 1.00 1.11 N ATOM 183 CA LYS A 13 4.040 -0.531 -4.623 1.00 55.35 C ATOM 184 C LYS A 13 3.321 0.767 -4.228 1.00 73.34 C ATOM 185 O LYS A 13 2.095 0.868 -4.314 1.00 21.45 O ATOM 186 CB LYS A 13 4.039 -0.690 -6.154 1.00 51.34 C ATOM 187 CG LYS A 13 5.057 -1.711 -6.668 1.00 74.31 C ATOM 188 CD LYS A 13 5.499 -1.421 -8.108 1.00 15.01 C ATOM 189 CE LYS A 13 4.604 -2.087 -9.155 1.00 12.23 C ATOM 190 NZ LYS A 13 3.164 -1.752 -8.989 1.00 74.12 N ATOM 0 H LYS A 13 2.601 -2.053 -4.407 1.00 1.11 H new ATOM 0 HA LYS A 13 5.076 -0.472 -4.288 1.00 55.35 H new ATOM 0 HB2 LYS A 13 3.042 -0.989 -6.479 1.00 51.34 H new ATOM 0 HB3 LYS A 13 4.246 0.278 -6.611 1.00 51.34 H new ATOM 0 HG2 LYS A 13 5.930 -1.710 -6.015 1.00 74.31 H new ATOM 0 HG3 LYS A 13 4.623 -2.710 -6.618 1.00 74.31 H new ATOM 0 HD2 LYS A 13 5.500 -0.343 -8.272 1.00 15.01 H new ATOM 0 HD3 LYS A 13 6.524 -1.765 -8.243 1.00 15.01 H new ATOM 0 HE2 LYS A 13 4.930 -1.782 -10.150 1.00 12.23 H new ATOM 0 HE3 LYS A 13 4.729 -3.168 -9.096 1.00 12.23 H new ATOM 0 HZ1 LYS A 13 2.657 -1.949 -9.876 1.00 74.12 H new ATOM 0 HZ2 LYS A 13 2.759 -2.328 -8.224 1.00 74.12 H new ATOM 0 HZ3 LYS A 13 3.067 -0.744 -8.751 1.00 74.12 H new ATOM 204 N VAL A 14 4.096 1.756 -3.794 1.00 1.44 N ATOM 205 CA VAL A 14 3.549 3.035 -3.336 1.00 0.51 C ATOM 206 C VAL A 14 4.050 4.212 -4.192 1.00 1.21 C ATOM 207 O VAL A 14 5.251 4.488 -4.255 1.00 14.31 O ATOM 208 CB VAL A 14 3.909 3.291 -1.848 1.00 65.40 C ATOM 209 CG1 VAL A 14 3.396 4.654 -1.386 1.00 61.13 C ATOM 210 CG2 VAL A 14 3.354 2.176 -0.963 1.00 42.43 C ATOM 0 H VAL A 14 5.113 1.698 -3.749 1.00 1.44 H new ATOM 0 HA VAL A 14 2.466 2.970 -3.440 1.00 0.51 H new ATOM 0 HB VAL A 14 4.995 3.294 -1.758 1.00 65.40 H new ATOM 0 HG11 VAL A 14 3.662 4.807 -0.340 1.00 61.13 H new ATOM 0 HG12 VAL A 14 3.848 5.438 -1.994 1.00 61.13 H new ATOM 0 HG13 VAL A 14 2.312 4.690 -1.494 1.00 61.13 H new ATOM 0 HG21 VAL A 14 3.616 2.372 0.077 1.00 42.43 H new ATOM 0 HG22 VAL A 14 2.269 2.138 -1.063 1.00 42.43 H new ATOM 0 HG23 VAL A 14 3.780 1.221 -1.271 1.00 42.43 H new ATOM 220 N LEU A 15 3.120 4.900 -4.847 1.00 61.42 N ATOM 221 CA LEU A 15 3.450 6.087 -5.644 1.00 12.51 C ATOM 222 C LEU A 15 3.417 7.337 -4.745 1.00 34.32 C ATOM 223 O LEU A 15 2.354 7.749 -4.274 1.00 70.12 O ATOM 224 CB LEU A 15 2.459 6.223 -6.819 1.00 65.40 C ATOM 225 CG LEU A 15 2.947 7.039 -8.040 1.00 62.42 C ATOM 226 CD1 LEU A 15 1.933 6.950 -9.179 1.00 23.33 C ATOM 227 CD2 LEU A 15 3.206 8.500 -7.674 1.00 43.10 C ATOM 0 H LEU A 15 2.129 4.659 -4.844 1.00 61.42 H new ATOM 0 HA LEU A 15 4.454 5.984 -6.057 1.00 12.51 H new ATOM 0 HB2 LEU A 15 2.195 5.222 -7.161 1.00 65.40 H new ATOM 0 HB3 LEU A 15 1.545 6.683 -6.444 1.00 65.40 H new ATOM 0 HG LEU A 15 3.892 6.607 -8.370 1.00 62.42 H new ATOM 0 HD11 LEU A 15 2.291 7.529 -10.030 1.00 23.33 H new ATOM 0 HD12 LEU A 15 1.809 5.908 -9.475 1.00 23.33 H new ATOM 0 HD13 LEU A 15 0.975 7.349 -8.845 1.00 23.33 H new ATOM 0 HD21 LEU A 15 3.547 9.041 -8.557 1.00 43.10 H new ATOM 0 HD22 LEU A 15 2.285 8.951 -7.305 1.00 43.10 H new ATOM 0 HD23 LEU A 15 3.971 8.551 -6.899 1.00 43.10 H new ATOM 239 N TRP A 16 4.584 7.929 -4.506 1.00 53.02 N ATOM 240 CA TRP A 16 4.710 9.054 -3.573 1.00 4.21 C ATOM 241 C TRP A 16 4.604 10.411 -4.296 1.00 33.51 C ATOM 242 O TRP A 16 5.432 10.740 -5.148 1.00 10.20 O ATOM 243 CB TRP A 16 6.050 8.947 -2.828 1.00 24.43 C ATOM 244 CG TRP A 16 6.195 9.894 -1.667 1.00 42.31 C ATOM 245 CD1 TRP A 16 6.652 11.181 -1.701 1.00 13.32 C ATOM 246 CD2 TRP A 16 5.895 9.614 -0.292 1.00 32.31 C ATOM 247 NE1 TRP A 16 6.651 11.716 -0.436 1.00 2.22 N ATOM 248 CE2 TRP A 16 6.189 10.774 0.446 1.00 24.02 C ATOM 249 CE3 TRP A 16 5.403 8.492 0.385 1.00 75.53 C ATOM 250 CZ2 TRP A 16 6.009 10.846 1.826 1.00 10.41 C ATOM 251 CZ3 TRP A 16 5.223 8.565 1.753 1.00 14.24 C ATOM 252 CH2 TRP A 16 5.525 9.734 2.462 1.00 35.23 C ATOM 0 H TRP A 16 5.461 7.650 -4.945 1.00 53.02 H new ATOM 0 HA TRP A 16 3.886 9.004 -2.861 1.00 4.21 H new ATOM 0 HB2 TRP A 16 6.169 7.926 -2.465 1.00 24.43 H new ATOM 0 HB3 TRP A 16 6.860 9.131 -3.534 1.00 24.43 H new ATOM 0 HD1 TRP A 16 6.968 11.702 -2.593 1.00 13.32 H new ATOM 0 HE1 TRP A 16 6.946 12.661 -0.192 1.00 2.22 H new ATOM 0 HE3 TRP A 16 5.168 7.585 -0.152 1.00 75.53 H new ATOM 0 HZ2 TRP A 16 6.243 11.747 2.374 1.00 10.41 H new ATOM 0 HZ3 TRP A 16 4.843 7.705 2.285 1.00 14.24 H new ATOM 0 HH2 TRP A 16 5.373 9.759 3.531 1.00 35.23 H new ATOM 263 N LEU A 17 3.575 11.187 -3.957 1.00 23.53 N ATOM 264 CA LEU A 17 3.414 12.548 -4.488 1.00 53.30 C ATOM 265 C LEU A 17 3.624 13.589 -3.382 1.00 35.12 C ATOM 266 O LEU A 17 3.542 13.278 -2.193 1.00 30.45 O ATOM 267 CB LEU A 17 2.016 12.733 -5.102 1.00 70.40 C ATOM 268 CG LEU A 17 1.687 11.831 -6.305 1.00 54.21 C ATOM 269 CD1 LEU A 17 0.232 12.013 -6.733 1.00 32.14 C ATOM 270 CD2 LEU A 17 2.632 12.122 -7.469 1.00 50.23 C ATOM 0 H LEU A 17 2.836 10.899 -3.315 1.00 23.53 H new ATOM 0 HA LEU A 17 4.166 12.692 -5.264 1.00 53.30 H new ATOM 0 HB2 LEU A 17 1.272 12.556 -4.325 1.00 70.40 H new ATOM 0 HB3 LEU A 17 1.911 13.773 -5.412 1.00 70.40 H new ATOM 0 HG LEU A 17 1.826 10.793 -6.003 1.00 54.21 H new ATOM 0 HD11 LEU A 17 0.020 11.367 -7.585 1.00 32.14 H new ATOM 0 HD12 LEU A 17 -0.426 11.750 -5.905 1.00 32.14 H new ATOM 0 HD13 LEU A 17 0.063 13.052 -7.015 1.00 32.14 H new ATOM 0 HD21 LEU A 17 2.384 11.474 -8.310 1.00 50.23 H new ATOM 0 HD22 LEU A 17 2.528 13.164 -7.770 1.00 50.23 H new ATOM 0 HD23 LEU A 17 3.660 11.935 -7.159 1.00 50.23 H new ATOM 282 N ASP A 18 3.887 14.829 -3.778 1.00 23.15 N ATOM 283 CA ASP A 18 4.067 15.921 -2.818 1.00 53.11 C ATOM 284 C ASP A 18 2.744 16.274 -2.113 1.00 32.53 C ATOM 285 O ASP A 18 2.739 16.672 -0.948 1.00 4.11 O ATOM 286 CB ASP A 18 4.627 17.153 -3.532 1.00 11.23 C ATOM 287 CG ASP A 18 5.899 16.840 -4.297 1.00 52.52 C ATOM 288 OD1 ASP A 18 5.801 16.272 -5.405 1.00 33.31 O ATOM 289 OD2 ASP A 18 7.001 17.151 -3.793 1.00 0.22 O ATOM 0 H ASP A 18 3.981 15.107 -4.755 1.00 23.15 H new ATOM 0 HA ASP A 18 4.773 15.590 -2.057 1.00 53.11 H new ATOM 0 HB2 ASP A 18 3.878 17.545 -4.220 1.00 11.23 H new ATOM 0 HB3 ASP A 18 4.828 17.936 -2.800 1.00 11.23 H new ATOM 294 N GLN A 19 1.626 16.126 -2.828 1.00 13.24 N ATOM 295 CA GLN A 19 0.302 16.466 -2.279 1.00 22.00 C ATOM 296 C GLN A 19 -0.440 15.223 -1.748 1.00 31.14 C ATOM 297 O GLN A 19 -1.248 15.320 -0.822 1.00 24.30 O ATOM 298 CB GLN A 19 -0.573 17.148 -3.348 1.00 1.21 C ATOM 299 CG GLN A 19 0.095 18.307 -4.091 1.00 34.31 C ATOM 300 CD GLN A 19 1.114 17.843 -5.123 1.00 14.32 C ATOM 301 OE1 GLN A 19 1.001 16.755 -5.682 1.00 31.10 O ATOM 302 NE2 GLN A 19 2.108 18.664 -5.391 1.00 40.21 N ATOM 0 H GLN A 19 1.606 15.775 -3.785 1.00 13.24 H new ATOM 0 HA GLN A 19 0.475 17.150 -1.448 1.00 22.00 H new ATOM 0 HB2 GLN A 19 -0.879 16.398 -4.077 1.00 1.21 H new ATOM 0 HB3 GLN A 19 -1.480 17.518 -2.871 1.00 1.21 H new ATOM 0 HG2 GLN A 19 -0.671 18.903 -4.587 1.00 34.31 H new ATOM 0 HG3 GLN A 19 0.588 18.958 -3.369 1.00 34.31 H new ATOM 0 HE21 GLN A 19 2.173 19.561 -4.909 1.00 40.21 H new ATOM 0 HE22 GLN A 19 2.813 18.403 -6.081 1.00 40.21 H new ATOM 311 N ASN A 20 -0.177 14.058 -2.349 1.00 70.34 N ATOM 312 CA ASN A 20 -0.915 12.823 -2.022 1.00 74.11 C ATOM 313 C ASN A 20 -0.009 11.579 -2.069 1.00 51.04 C ATOM 314 O ASN A 20 1.179 11.666 -2.366 1.00 20.24 O ATOM 315 CB ASN A 20 -2.086 12.626 -2.999 1.00 51.53 C ATOM 316 CG ASN A 20 -3.054 13.794 -2.997 1.00 43.34 C ATOM 317 OD1 ASN A 20 -2.956 14.701 -3.814 1.00 62.30 O ATOM 318 ND2 ASN A 20 -3.992 13.788 -2.076 1.00 61.13 N ATOM 0 H ASN A 20 0.540 13.939 -3.065 1.00 70.34 H new ATOM 0 HA ASN A 20 -1.290 12.936 -1.005 1.00 74.11 H new ATOM 0 HB2 ASN A 20 -1.694 12.487 -4.006 1.00 51.53 H new ATOM 0 HB3 ASN A 20 -2.623 11.714 -2.737 1.00 51.53 H new ATOM 0 HD21 ASN A 20 -4.664 14.553 -2.028 1.00 61.13 H new ATOM 0 HD22 ASN A 20 -4.047 13.018 -1.409 1.00 61.13 H new ATOM 325 N VAL A 21 -0.585 10.421 -1.770 1.00 31.15 N ATOM 326 CA VAL A 21 0.127 9.147 -1.885 1.00 0.00 C ATOM 327 C VAL A 21 -0.809 8.051 -2.422 1.00 30.54 C ATOM 328 O VAL A 21 -2.012 8.059 -2.144 1.00 4.41 O ATOM 329 CB VAL A 21 0.738 8.714 -0.524 1.00 72.53 C ATOM 330 CG1 VAL A 21 -0.350 8.464 0.518 1.00 12.03 C ATOM 331 CG2 VAL A 21 1.631 7.486 -0.686 1.00 31.23 C ATOM 0 H VAL A 21 -1.548 10.334 -1.444 1.00 31.15 H new ATOM 0 HA VAL A 21 0.945 9.288 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 21 1.359 9.535 -0.167 1.00 72.53 H new ATOM 0 HG11 VAL A 21 0.110 8.163 1.459 1.00 12.03 H new ATOM 0 HG12 VAL A 21 -0.924 9.378 0.671 1.00 12.03 H new ATOM 0 HG13 VAL A 21 -1.013 7.673 0.169 1.00 12.03 H new ATOM 0 HG21 VAL A 21 2.044 7.206 0.283 1.00 31.23 H new ATOM 0 HG22 VAL A 21 1.043 6.658 -1.082 1.00 31.23 H new ATOM 0 HG23 VAL A 21 2.444 7.716 -1.375 1.00 31.23 H new ATOM 341 N ALA A 22 -0.261 7.134 -3.215 1.00 51.12 N ATOM 342 CA ALA A 22 -1.051 6.049 -3.809 1.00 50.02 C ATOM 343 C ALA A 22 -0.485 4.671 -3.452 1.00 74.32 C ATOM 344 O ALA A 22 0.729 4.467 -3.463 1.00 25.22 O ATOM 345 CB ALA A 22 -1.107 6.205 -5.322 1.00 10.23 C ATOM 0 H ALA A 22 0.728 7.117 -3.464 1.00 51.12 H new ATOM 0 HA ALA A 22 -2.058 6.116 -3.397 1.00 50.02 H new ATOM 0 HB1 ALA A 22 -1.696 5.394 -5.750 1.00 10.23 H new ATOM 0 HB2 ALA A 22 -1.569 7.160 -5.572 1.00 10.23 H new ATOM 0 HB3 ALA A 22 -0.096 6.173 -5.729 1.00 10.23 H new ATOM 351 N ILE A 23 -1.371 3.726 -3.152 1.00 51.24 N ATOM 352 CA ILE A 23 -0.966 2.352 -2.814 1.00 31.42 C ATOM 353 C ILE A 23 -1.457 1.337 -3.863 1.00 44.04 C ATOM 354 O ILE A 23 -2.546 1.483 -4.423 1.00 3.14 O ATOM 355 CB ILE A 23 -1.494 1.941 -1.415 1.00 23.22 C ATOM 356 CG1 ILE A 23 -3.025 2.102 -1.344 1.00 64.34 C ATOM 357 CG2 ILE A 23 -0.802 2.757 -0.321 1.00 45.54 C ATOM 358 CD1 ILE A 23 -3.622 1.739 0.000 1.00 23.13 C ATOM 0 H ILE A 23 -2.379 3.881 -3.134 1.00 51.24 H new ATOM 0 HA ILE A 23 0.124 2.341 -2.804 1.00 31.42 H new ATOM 0 HB ILE A 23 -1.260 0.889 -1.251 1.00 23.22 H new ATOM 0 HG12 ILE A 23 -3.282 3.135 -1.577 1.00 64.34 H new ATOM 0 HG13 ILE A 23 -3.481 1.479 -2.113 1.00 64.34 H new ATOM 0 HG21 ILE A 23 -1.184 2.456 0.654 1.00 45.54 H new ATOM 0 HG22 ILE A 23 0.273 2.580 -0.360 1.00 45.54 H new ATOM 0 HG23 ILE A 23 -1.001 3.817 -0.477 1.00 45.54 H new ATOM 0 HD11 ILE A 23 -4.702 1.879 -0.032 1.00 23.13 H new ATOM 0 HD12 ILE A 23 -3.398 0.697 0.228 1.00 23.13 H new ATOM 0 HD13 ILE A 23 -3.196 2.379 0.772 1.00 23.13 H new ATOM 370 N ALA A 24 -0.640 0.316 -4.131 1.00 21.12 N ATOM 371 CA ALA A 24 -0.992 -0.747 -5.083 1.00 14.41 C ATOM 372 C ALA A 24 -0.328 -2.076 -4.704 1.00 74.12 C ATOM 373 O ALA A 24 0.755 -2.093 -4.123 1.00 3.31 O ATOM 374 CB ALA A 24 -0.582 -0.349 -6.498 1.00 61.01 C ATOM 0 H ALA A 24 0.277 0.200 -3.700 1.00 21.12 H new ATOM 0 HA ALA A 24 -2.073 -0.882 -5.046 1.00 14.41 H new ATOM 0 HB1 ALA A 24 -0.849 -1.146 -7.192 1.00 61.01 H new ATOM 0 HB2 ALA A 24 -1.099 0.568 -6.782 1.00 61.01 H new ATOM 0 HB3 ALA A 24 0.495 -0.184 -6.532 1.00 61.01 H new ATOM 380 N VAL A 25 -0.980 -3.188 -5.033 1.00 0.41 N ATOM 381 CA VAL A 25 -0.426 -4.518 -4.764 1.00 75.34 C ATOM 382 C VAL A 25 -0.187 -5.293 -6.067 1.00 75.21 C ATOM 383 O VAL A 25 -1.042 -5.320 -6.955 1.00 21.24 O ATOM 384 CB VAL A 25 -1.355 -5.345 -3.834 1.00 13.42 C ATOM 385 CG1 VAL A 25 -0.799 -6.752 -3.607 1.00 53.44 C ATOM 386 CG2 VAL A 25 -1.558 -4.629 -2.499 1.00 21.50 C ATOM 0 H VAL A 25 -1.893 -3.198 -5.487 1.00 0.41 H new ATOM 0 HA VAL A 25 0.528 -4.367 -4.260 1.00 75.34 H new ATOM 0 HB VAL A 25 -2.322 -5.440 -4.328 1.00 13.42 H new ATOM 0 HG11 VAL A 25 -1.471 -7.307 -2.952 1.00 53.44 H new ATOM 0 HG12 VAL A 25 -0.715 -7.269 -4.563 1.00 53.44 H new ATOM 0 HG13 VAL A 25 0.185 -6.684 -3.144 1.00 53.44 H new ATOM 0 HG21 VAL A 25 -2.212 -5.225 -1.862 1.00 21.50 H new ATOM 0 HG22 VAL A 25 -0.594 -4.497 -2.007 1.00 21.50 H new ATOM 0 HG23 VAL A 25 -2.013 -3.654 -2.674 1.00 21.50 H new ATOM 396 N ASP A 26 0.982 -5.911 -6.177 1.00 24.23 N ATOM 397 CA ASP A 26 1.340 -6.721 -7.342 1.00 51.11 C ATOM 398 C ASP A 26 1.568 -8.182 -6.930 1.00 34.14 C ATOM 399 O ASP A 26 2.084 -8.456 -5.845 1.00 10.35 O ATOM 400 CB ASP A 26 2.603 -6.155 -7.999 1.00 50.41 C ATOM 401 CG ASP A 26 2.473 -4.674 -8.308 1.00 51.53 C ATOM 402 OD1 ASP A 26 2.648 -3.854 -7.381 1.00 51.04 O ATOM 403 OD2 ASP A 26 2.203 -4.319 -9.474 1.00 64.33 O ATOM 0 H ASP A 26 1.710 -5.867 -5.464 1.00 24.23 H new ATOM 0 HA ASP A 26 0.519 -6.689 -8.058 1.00 51.11 H new ATOM 0 HB2 ASP A 26 3.456 -6.313 -7.339 1.00 50.41 H new ATOM 0 HB3 ASP A 26 2.807 -6.700 -8.920 1.00 50.41 H new ATOM 408 N GLN A 27 1.187 -9.117 -7.794 1.00 64.11 N ATOM 409 CA GLN A 27 1.323 -10.549 -7.495 1.00 24.21 C ATOM 410 C GLN A 27 2.552 -11.165 -8.192 1.00 3.31 C ATOM 411 O GLN A 27 2.804 -10.920 -9.376 1.00 42.04 O ATOM 412 CB GLN A 27 0.049 -11.302 -7.914 1.00 62.01 C ATOM 413 CG GLN A 27 -0.232 -11.274 -9.413 1.00 1.11 C ATOM 414 CD GLN A 27 -1.477 -12.056 -9.789 1.00 44.00 C ATOM 415 OE1 GLN A 27 -2.573 -11.516 -9.847 1.00 44.50 O ATOM 416 NE2 GLN A 27 -1.323 -13.341 -10.032 1.00 60.42 N ATOM 0 H GLN A 27 0.781 -8.915 -8.708 1.00 64.11 H new ATOM 0 HA GLN A 27 1.466 -10.648 -6.419 1.00 24.21 H new ATOM 0 HB2 GLN A 27 0.131 -12.340 -7.591 1.00 62.01 H new ATOM 0 HB3 GLN A 27 -0.803 -10.871 -7.388 1.00 62.01 H new ATOM 0 HG2 GLN A 27 -0.345 -10.240 -9.738 1.00 1.11 H new ATOM 0 HG3 GLN A 27 0.625 -11.684 -9.947 1.00 1.11 H new ATOM 0 HE21 GLN A 27 -0.396 -13.763 -9.976 1.00 60.42 H new ATOM 0 HE22 GLN A 27 -2.131 -13.914 -10.276 1.00 60.42 H new ATOM 425 N ILE A 28 3.319 -11.961 -7.446 1.00 45.35 N ATOM 426 CA ILE A 28 4.472 -12.676 -8.002 1.00 44.41 C ATOM 427 C ILE A 28 4.048 -14.046 -8.562 1.00 52.30 C ATOM 428 O ILE A 28 3.854 -15.009 -7.819 1.00 21.20 O ATOM 429 CB ILE A 28 5.589 -12.862 -6.941 1.00 42.42 C ATOM 430 CG1 ILE A 28 6.098 -11.494 -6.450 1.00 64.34 C ATOM 431 CG2 ILE A 28 6.742 -13.698 -7.498 1.00 64.14 C ATOM 432 CD1 ILE A 28 7.235 -11.584 -5.450 1.00 53.23 C ATOM 0 H ILE A 28 3.163 -12.128 -6.452 1.00 45.35 H new ATOM 0 HA ILE A 28 4.870 -12.069 -8.815 1.00 44.41 H new ATOM 0 HB ILE A 28 5.165 -13.399 -6.093 1.00 42.42 H new ATOM 0 HG12 ILE A 28 6.428 -10.910 -7.309 1.00 64.34 H new ATOM 0 HG13 ILE A 28 5.269 -10.951 -5.995 1.00 64.34 H new ATOM 0 HG21 ILE A 28 7.511 -13.813 -6.734 1.00 64.14 H new ATOM 0 HG22 ILE A 28 6.371 -14.681 -7.790 1.00 64.14 H new ATOM 0 HG23 ILE A 28 7.167 -13.198 -8.368 1.00 64.14 H new ATOM 0 HD11 ILE A 28 7.538 -10.580 -5.152 1.00 53.23 H new ATOM 0 HD12 ILE A 28 6.904 -12.139 -4.572 1.00 53.23 H new ATOM 0 HD13 ILE A 28 8.081 -12.098 -5.906 1.00 53.23 H new ATOM 444 N VAL A 29 3.889 -14.109 -9.878 1.00 54.12 N ATOM 445 CA VAL A 29 3.443 -15.325 -10.560 1.00 22.33 C ATOM 446 C VAL A 29 4.628 -16.264 -10.857 1.00 32.22 C ATOM 447 O VAL A 29 5.786 -15.846 -10.815 1.00 52.15 O ATOM 448 CB VAL A 29 2.721 -14.960 -11.886 1.00 61.25 C ATOM 449 CG1 VAL A 29 1.999 -16.165 -12.480 1.00 14.53 C ATOM 450 CG2 VAL A 29 1.754 -13.798 -11.672 1.00 14.55 C ATOM 0 H VAL A 29 4.064 -13.323 -10.504 1.00 54.12 H new ATOM 0 HA VAL A 29 2.749 -15.845 -9.899 1.00 22.33 H new ATOM 0 HB VAL A 29 3.481 -14.647 -12.602 1.00 61.25 H new ATOM 0 HG11 VAL A 29 1.505 -15.873 -13.407 1.00 14.53 H new ATOM 0 HG12 VAL A 29 2.720 -16.956 -12.687 1.00 14.53 H new ATOM 0 HG13 VAL A 29 1.255 -16.529 -11.772 1.00 14.53 H new ATOM 0 HG21 VAL A 29 1.259 -13.559 -12.613 1.00 14.55 H new ATOM 0 HG22 VAL A 29 1.007 -14.079 -10.930 1.00 14.55 H new ATOM 0 HG23 VAL A 29 2.305 -12.926 -11.320 1.00 14.55 H new ATOM 460 N GLY A 30 4.333 -17.531 -11.166 1.00 23.21 N ATOM 461 CA GLY A 30 5.381 -18.510 -11.464 1.00 64.01 C ATOM 462 C GLY A 30 6.249 -18.150 -12.674 1.00 61.13 C ATOM 463 O GLY A 30 7.243 -18.824 -12.957 1.00 2.23 O ATOM 0 H GLY A 30 3.383 -17.900 -11.216 1.00 23.21 H new ATOM 0 HA2 GLY A 30 6.023 -18.617 -10.589 1.00 64.01 H new ATOM 0 HA3 GLY A 30 4.917 -19.481 -11.639 1.00 64.01 H new ATOM 467 N LYS A 31 5.864 -17.104 -13.407 1.00 53.54 N ATOM 468 CA LYS A 31 6.669 -16.606 -14.530 1.00 1.44 C ATOM 469 C LYS A 31 7.305 -15.243 -14.200 1.00 3.25 C ATOM 470 O LYS A 31 8.503 -15.045 -14.406 1.00 43.10 O ATOM 471 CB LYS A 31 5.810 -16.496 -15.799 1.00 21.31 C ATOM 472 CG LYS A 31 6.542 -15.949 -17.036 1.00 12.04 C ATOM 473 CD LYS A 31 7.445 -16.983 -17.726 1.00 61.12 C ATOM 474 CE LYS A 31 8.764 -17.217 -16.991 1.00 64.22 C ATOM 475 NZ LYS A 31 9.536 -15.959 -16.803 1.00 12.45 N ATOM 0 H LYS A 31 5.001 -16.584 -13.246 1.00 53.54 H new ATOM 0 HA LYS A 31 7.473 -17.321 -14.707 1.00 1.44 H new ATOM 0 HB2 LYS A 31 5.413 -17.483 -16.037 1.00 21.31 H new ATOM 0 HB3 LYS A 31 4.956 -15.852 -15.587 1.00 21.31 H new ATOM 0 HG2 LYS A 31 5.805 -15.587 -17.753 1.00 12.04 H new ATOM 0 HG3 LYS A 31 7.146 -15.092 -16.740 1.00 12.04 H new ATOM 0 HD2 LYS A 31 6.908 -17.928 -17.806 1.00 61.12 H new ATOM 0 HD3 LYS A 31 7.657 -16.650 -18.742 1.00 61.12 H new ATOM 0 HE2 LYS A 31 8.561 -17.665 -16.018 1.00 64.22 H new ATOM 0 HE3 LYS A 31 9.368 -17.931 -17.551 1.00 64.22 H new ATOM 0 HZ1 LYS A 31 10.537 -16.187 -16.638 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 9.451 -15.369 -17.655 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 9.160 -15.440 -15.984 1.00 12.45 H new ATOM 489 N GLY A 32 6.496 -14.305 -13.707 1.00 22.01 N ATOM 490 CA GLY A 32 7.000 -12.990 -13.325 1.00 61.31 C ATOM 491 C GLY A 32 6.013 -12.210 -12.459 1.00 41.21 C ATOM 492 O GLY A 32 5.062 -12.774 -11.926 1.00 30.43 O ATOM 0 H GLY A 32 5.494 -14.432 -13.564 1.00 22.01 H new ATOM 0 HA2 GLY A 32 7.938 -13.108 -12.783 1.00 61.31 H new ATOM 0 HA3 GLY A 32 7.222 -12.415 -14.224 1.00 61.31 H new ATOM 496 N THR A 33 6.232 -10.907 -12.324 1.00 44.02 N ATOM 497 CA THR A 33 5.360 -10.054 -11.500 1.00 61.10 C ATOM 498 C THR A 33 4.301 -9.337 -12.346 1.00 15.44 C ATOM 499 O THR A 33 4.604 -8.767 -13.396 1.00 30.24 O ATOM 500 CB THR A 33 6.171 -8.993 -10.717 1.00 72.55 C ATOM 501 OG1 THR A 33 6.917 -8.167 -11.627 1.00 14.03 O ATOM 502 CG2 THR A 33 7.123 -9.656 -9.729 1.00 62.25 C ATOM 0 H THR A 33 7.003 -10.411 -12.771 1.00 44.02 H new ATOM 0 HA THR A 33 4.865 -10.722 -10.795 1.00 61.10 H new ATOM 0 HB THR A 33 5.468 -8.373 -10.161 1.00 72.55 H new ATOM 0 HG1 THR A 33 7.425 -7.499 -11.121 1.00 14.03 H new ATOM 0 HG21 THR A 33 7.681 -8.890 -9.191 1.00 62.25 H new ATOM 0 HG22 THR A 33 6.552 -10.254 -9.019 1.00 62.25 H new ATOM 0 HG23 THR A 33 7.818 -10.299 -10.269 1.00 62.25 H new ATOM 510 N SER A 34 3.058 -9.362 -11.876 1.00 34.32 N ATOM 511 CA SER A 34 1.940 -8.705 -12.574 1.00 63.21 C ATOM 512 C SER A 34 1.075 -7.903 -11.590 1.00 21.43 C ATOM 513 O SER A 34 0.858 -8.338 -10.458 1.00 14.34 O ATOM 514 CB SER A 34 1.070 -9.750 -13.291 1.00 35.12 C ATOM 515 OG SER A 34 0.004 -9.136 -14.003 1.00 74.20 O ATOM 0 H SER A 34 2.791 -9.831 -11.010 1.00 34.32 H new ATOM 0 HA SER A 34 2.360 -8.019 -13.310 1.00 63.21 H new ATOM 0 HB2 SER A 34 1.686 -10.327 -13.981 1.00 35.12 H new ATOM 0 HB3 SER A 34 0.666 -10.452 -12.561 1.00 35.12 H new ATOM 0 HG SER A 34 -0.531 -9.825 -14.450 1.00 74.20 H new ATOM 521 N PRO A 35 0.565 -6.725 -12.004 1.00 5.30 N ATOM 522 CA PRO A 35 -0.274 -5.876 -11.138 1.00 13.03 C ATOM 523 C PRO A 35 -1.565 -6.579 -10.675 1.00 41.33 C ATOM 524 O PRO A 35 -2.324 -7.121 -11.486 1.00 75.42 O ATOM 525 CB PRO A 35 -0.599 -4.658 -12.022 1.00 32.33 C ATOM 526 CG PRO A 35 -0.359 -5.124 -13.422 1.00 41.03 C ATOM 527 CD PRO A 35 0.762 -6.123 -13.334 1.00 43.01 C ATOM 0 HA PRO A 35 0.241 -5.617 -10.213 1.00 13.03 H new ATOM 0 HB2 PRO A 35 -1.631 -4.334 -11.885 1.00 32.33 H new ATOM 0 HB3 PRO A 35 0.037 -3.809 -11.774 1.00 32.33 H new ATOM 0 HG2 PRO A 35 -1.256 -5.579 -13.842 1.00 41.03 H new ATOM 0 HG3 PRO A 35 -0.090 -4.291 -14.071 1.00 41.03 H new ATOM 0 HD2 PRO A 35 0.702 -6.868 -14.127 1.00 43.01 H new ATOM 0 HD3 PRO A 35 1.737 -5.644 -13.420 1.00 43.01 H new ATOM 535 N LEU A 36 -1.797 -6.571 -9.362 1.00 73.24 N ATOM 536 CA LEU A 36 -2.994 -7.183 -8.772 1.00 10.05 C ATOM 537 C LEU A 36 -4.095 -6.129 -8.555 1.00 4.43 C ATOM 538 O LEU A 36 -5.278 -6.392 -8.782 1.00 13.52 O ATOM 539 CB LEU A 36 -2.632 -7.854 -7.434 1.00 2.22 C ATOM 540 CG LEU A 36 -3.765 -8.642 -6.752 1.00 33.32 C ATOM 541 CD1 LEU A 36 -4.149 -9.868 -7.577 1.00 10.12 C ATOM 542 CD2 LEU A 36 -3.364 -9.042 -5.333 1.00 2.42 C ATOM 0 H LEU A 36 -1.169 -6.145 -8.681 1.00 73.24 H new ATOM 0 HA LEU A 36 -3.374 -7.937 -9.461 1.00 10.05 H new ATOM 0 HB2 LEU A 36 -1.795 -8.531 -7.603 1.00 2.22 H new ATOM 0 HB3 LEU A 36 -2.285 -7.084 -6.745 1.00 2.22 H new ATOM 0 HG LEU A 36 -4.640 -7.995 -6.688 1.00 33.32 H new ATOM 0 HD11 LEU A 36 -4.951 -10.408 -7.074 1.00 10.12 H new ATOM 0 HD12 LEU A 36 -4.487 -9.551 -8.564 1.00 10.12 H new ATOM 0 HD13 LEU A 36 -3.283 -10.521 -7.683 1.00 10.12 H new ATOM 0 HD21 LEU A 36 -4.178 -9.598 -4.868 1.00 2.42 H new ATOM 0 HD22 LEU A 36 -2.472 -9.667 -5.370 1.00 2.42 H new ATOM 0 HD23 LEU A 36 -3.155 -8.146 -4.748 1.00 2.42 H new ATOM 554 N THR A 37 -3.695 -4.939 -8.099 1.00 13.34 N ATOM 555 CA THR A 37 -4.626 -3.813 -7.908 1.00 54.53 C ATOM 556 C THR A 37 -4.084 -2.528 -8.556 1.00 41.41 C ATOM 557 O THR A 37 -2.940 -2.481 -9.018 1.00 43.14 O ATOM 558 CB THR A 37 -4.895 -3.526 -6.406 1.00 62.15 C ATOM 559 OG1 THR A 37 -3.719 -2.982 -5.786 1.00 14.35 O ATOM 560 CG2 THR A 37 -5.322 -4.792 -5.663 1.00 43.24 C ATOM 0 H THR A 37 -2.728 -4.725 -7.853 1.00 13.34 H new ATOM 0 HA THR A 37 -5.560 -4.108 -8.387 1.00 54.53 H new ATOM 0 HB THR A 37 -5.708 -2.802 -6.349 1.00 62.15 H new ATOM 0 HG1 THR A 37 -3.667 -3.290 -4.857 1.00 14.35 H new ATOM 0 HG21 THR A 37 -5.502 -4.555 -4.614 1.00 43.24 H new ATOM 0 HG22 THR A 37 -6.236 -5.185 -6.109 1.00 43.24 H new ATOM 0 HG23 THR A 37 -4.533 -5.540 -5.736 1.00 43.24 H new ATOM 568 N SER A 38 -4.913 -1.486 -8.591 1.00 45.34 N ATOM 569 CA SER A 38 -4.511 -0.182 -9.151 1.00 4.44 C ATOM 570 C SER A 38 -3.941 0.750 -8.075 1.00 70.52 C ATOM 571 O SER A 38 -4.146 0.533 -6.881 1.00 11.03 O ATOM 572 CB SER A 38 -5.708 0.499 -9.826 1.00 13.01 C ATOM 573 OG SER A 38 -6.253 -0.315 -10.855 1.00 3.12 O ATOM 0 H SER A 38 -5.870 -1.512 -8.239 1.00 45.34 H new ATOM 0 HA SER A 38 -3.730 -0.374 -9.886 1.00 4.44 H new ATOM 0 HB2 SER A 38 -6.476 0.711 -9.082 1.00 13.01 H new ATOM 0 HB3 SER A 38 -5.396 1.456 -10.244 1.00 13.01 H new ATOM 0 HG SER A 38 -7.015 0.144 -11.266 1.00 3.12 H new ATOM 579 N TYR A 39 -3.225 1.789 -8.509 1.00 2.52 N ATOM 580 CA TYR A 39 -2.714 2.814 -7.590 1.00 62.11 C ATOM 581 C TYR A 39 -3.846 3.730 -7.108 1.00 34.31 C ATOM 582 O TYR A 39 -4.330 4.582 -7.856 1.00 41.52 O ATOM 583 CB TYR A 39 -1.622 3.661 -8.266 1.00 60.52 C ATOM 584 CG TYR A 39 -0.310 2.935 -8.476 1.00 61.43 C ATOM 585 CD1 TYR A 39 0.634 2.858 -7.455 1.00 73.21 C ATOM 586 CD2 TYR A 39 -0.007 2.337 -9.695 1.00 23.53 C ATOM 587 CE1 TYR A 39 1.833 2.205 -7.642 1.00 42.42 C ATOM 588 CE2 TYR A 39 1.194 1.682 -9.889 1.00 32.54 C ATOM 589 CZ TYR A 39 2.111 1.620 -8.859 1.00 33.52 C ATOM 590 OH TYR A 39 3.308 0.969 -9.049 1.00 15.44 O ATOM 0 H TYR A 39 -2.985 1.945 -9.488 1.00 2.52 H new ATOM 0 HA TYR A 39 -2.284 2.300 -6.731 1.00 62.11 H new ATOM 0 HB2 TYR A 39 -1.992 4.005 -9.232 1.00 60.52 H new ATOM 0 HB3 TYR A 39 -1.440 4.548 -7.660 1.00 60.52 H new ATOM 0 HD1 TYR A 39 0.423 3.318 -6.501 1.00 73.21 H new ATOM 0 HD2 TYR A 39 -0.722 2.386 -10.503 1.00 23.53 H new ATOM 0 HE1 TYR A 39 2.552 2.152 -6.838 1.00 42.42 H new ATOM 0 HE2 TYR A 39 1.414 1.221 -10.841 1.00 32.54 H new ATOM 0 HH TYR A 39 3.998 1.383 -8.490 1.00 15.44 H new ATOM 600 N PHE A 40 -4.269 3.546 -5.863 1.00 41.31 N ATOM 601 CA PHE A 40 -5.356 4.346 -5.289 1.00 2.11 C ATOM 602 C PHE A 40 -4.815 5.593 -4.566 1.00 72.14 C ATOM 603 O PHE A 40 -4.187 5.488 -3.511 1.00 12.32 O ATOM 604 CB PHE A 40 -6.180 3.487 -4.322 1.00 34.30 C ATOM 605 CG PHE A 40 -6.719 2.221 -4.943 1.00 23.14 C ATOM 606 CD1 PHE A 40 -7.679 2.280 -5.945 1.00 61.41 C ATOM 607 CD2 PHE A 40 -6.267 0.976 -4.527 1.00 74.33 C ATOM 608 CE1 PHE A 40 -8.174 1.123 -6.518 1.00 41.41 C ATOM 609 CE2 PHE A 40 -6.760 -0.183 -5.098 1.00 63.34 C ATOM 610 CZ PHE A 40 -7.714 -0.109 -6.094 1.00 12.03 C ATOM 0 H PHE A 40 -3.879 2.850 -5.227 1.00 41.31 H new ATOM 0 HA PHE A 40 -5.995 4.686 -6.104 1.00 2.11 H new ATOM 0 HB2 PHE A 40 -5.560 3.225 -3.464 1.00 34.30 H new ATOM 0 HB3 PHE A 40 -7.013 4.079 -3.944 1.00 34.30 H new ATOM 0 HD1 PHE A 40 -8.043 3.240 -6.280 1.00 61.41 H new ATOM 0 HD2 PHE A 40 -5.522 0.912 -3.748 1.00 74.33 H new ATOM 0 HE1 PHE A 40 -8.920 1.182 -7.297 1.00 41.41 H new ATOM 0 HE2 PHE A 40 -6.399 -1.145 -4.765 1.00 63.34 H new ATOM 0 HZ PHE A 40 -8.100 -1.013 -6.541 1.00 12.03 H new ATOM 620 N PHE A 41 -5.061 6.769 -5.145 1.00 23.43 N ATOM 621 CA PHE A 41 -4.588 8.044 -4.584 1.00 32.41 C ATOM 622 C PHE A 41 -5.552 8.580 -3.511 1.00 34.45 C ATOM 623 O PHE A 41 -6.745 8.733 -3.764 1.00 43.02 O ATOM 624 CB PHE A 41 -4.452 9.095 -5.700 1.00 44.13 C ATOM 625 CG PHE A 41 -3.515 8.700 -6.819 1.00 55.32 C ATOM 626 CD1 PHE A 41 -3.943 7.865 -7.843 1.00 41.22 C ATOM 627 CD2 PHE A 41 -2.207 9.173 -6.852 1.00 64.32 C ATOM 628 CE1 PHE A 41 -3.089 7.509 -8.870 1.00 22.44 C ATOM 629 CE2 PHE A 41 -1.352 8.816 -7.878 1.00 2.10 C ATOM 630 CZ PHE A 41 -1.792 7.985 -8.887 1.00 50.51 C ATOM 0 H PHE A 41 -5.590 6.869 -6.011 1.00 23.43 H new ATOM 0 HA PHE A 41 -3.618 7.858 -4.122 1.00 32.41 H new ATOM 0 HB2 PHE A 41 -5.438 9.290 -6.120 1.00 44.13 H new ATOM 0 HB3 PHE A 41 -4.101 10.029 -5.262 1.00 44.13 H new ATOM 0 HD1 PHE A 41 -4.955 7.489 -7.837 1.00 41.22 H new ATOM 0 HD2 PHE A 41 -1.856 9.826 -6.067 1.00 64.32 H new ATOM 0 HE1 PHE A 41 -3.436 6.859 -9.659 1.00 22.44 H new ATOM 0 HE2 PHE A 41 -0.338 9.188 -7.889 1.00 2.10 H new ATOM 0 HZ PHE A 41 -1.124 7.707 -9.689 1.00 50.51 H new ATOM 640 N TRP A 42 -5.040 8.890 -2.319 1.00 54.44 N ATOM 641 CA TRP A 42 -5.883 9.457 -1.254 1.00 54.51 C ATOM 642 C TRP A 42 -5.332 10.819 -0.773 1.00 75.11 C ATOM 643 O TRP A 42 -4.134 11.089 -0.900 1.00 21.42 O ATOM 644 CB TRP A 42 -6.013 8.458 -0.085 1.00 63.05 C ATOM 645 CG TRP A 42 -5.038 8.669 1.040 1.00 62.43 C ATOM 646 CD1 TRP A 42 -3.696 8.417 1.036 1.00 2.33 C ATOM 647 CD2 TRP A 42 -5.349 9.165 2.348 1.00 32.42 C ATOM 648 NE1 TRP A 42 -3.152 8.740 2.259 1.00 63.42 N ATOM 649 CE2 TRP A 42 -4.148 9.199 3.082 1.00 62.22 C ATOM 650 CE3 TRP A 42 -6.529 9.588 2.965 1.00 31.44 C ATOM 651 CZ2 TRP A 42 -4.096 9.639 4.403 1.00 50.34 C ATOM 652 CZ3 TRP A 42 -6.477 10.024 4.275 1.00 72.23 C ATOM 653 CH2 TRP A 42 -5.268 10.048 4.982 1.00 3.13 C ATOM 0 H TRP A 42 -4.061 8.762 -2.064 1.00 54.44 H new ATOM 0 HA TRP A 42 -6.878 9.636 -1.661 1.00 54.51 H new ATOM 0 HB2 TRP A 42 -7.025 8.519 0.315 1.00 63.05 H new ATOM 0 HB3 TRP A 42 -5.884 7.448 -0.474 1.00 63.05 H new ATOM 0 HD1 TRP A 42 -3.143 8.022 0.197 1.00 2.33 H new ATOM 0 HE1 TRP A 42 -2.168 8.652 2.512 1.00 63.42 H new ATOM 0 HE3 TRP A 42 -7.466 9.574 2.427 1.00 31.44 H new ATOM 0 HZ2 TRP A 42 -3.165 9.657 4.951 1.00 50.34 H new ATOM 0 HZ3 TRP A 42 -7.384 10.352 4.762 1.00 72.23 H new ATOM 0 HH2 TRP A 42 -5.260 10.396 6.004 1.00 3.13 H new ATOM 664 N PRO A 43 -6.198 11.721 -0.248 1.00 62.41 N ATOM 665 CA PRO A 43 -7.657 11.509 -0.147 1.00 73.23 C ATOM 666 C PRO A 43 -8.428 11.844 -1.445 1.00 13.41 C ATOM 667 O PRO A 43 -9.582 12.266 -1.398 1.00 32.52 O ATOM 668 CB PRO A 43 -8.046 12.473 0.980 1.00 2.31 C ATOM 669 CG PRO A 43 -7.099 13.615 0.834 1.00 11.44 C ATOM 670 CD PRO A 43 -5.800 13.023 0.338 1.00 11.41 C ATOM 0 HA PRO A 43 -7.905 10.464 0.036 1.00 73.23 H new ATOM 0 HB2 PRO A 43 -9.081 12.800 0.883 1.00 2.31 H new ATOM 0 HB3 PRO A 43 -7.951 12.000 1.958 1.00 2.31 H new ATOM 0 HG2 PRO A 43 -7.484 14.353 0.131 1.00 11.44 H new ATOM 0 HG3 PRO A 43 -6.956 14.126 1.786 1.00 11.44 H new ATOM 0 HD2 PRO A 43 -5.326 13.666 -0.404 1.00 11.41 H new ATOM 0 HD3 PRO A 43 -5.085 12.893 1.150 1.00 11.41 H new ATOM 678 N ARG A 44 -7.791 11.648 -2.604 1.00 22.43 N ATOM 679 CA ARG A 44 -8.471 11.811 -3.900 1.00 60.34 C ATOM 680 C ARG A 44 -9.494 10.687 -4.130 1.00 74.31 C ATOM 681 O ARG A 44 -10.445 10.838 -4.899 1.00 61.22 O ATOM 682 CB ARG A 44 -7.443 11.842 -5.042 1.00 14.21 C ATOM 683 CG ARG A 44 -6.500 13.042 -4.977 1.00 21.22 C ATOM 684 CD ARG A 44 -7.265 14.364 -5.041 1.00 13.01 C ATOM 685 NE ARG A 44 -6.393 15.519 -4.837 1.00 2.33 N ATOM 686 CZ ARG A 44 -6.693 16.535 -4.070 1.00 24.33 C ATOM 687 NH1 ARG A 44 -7.820 16.571 -3.435 1.00 31.24 N ATOM 688 NH2 ARG A 44 -5.864 17.520 -3.950 1.00 33.14 N ATOM 0 H ARG A 44 -6.810 11.377 -2.675 1.00 22.43 H new ATOM 0 HA ARG A 44 -9.008 12.759 -3.885 1.00 60.34 H new ATOM 0 HB2 ARG A 44 -6.854 10.925 -5.016 1.00 14.21 H new ATOM 0 HB3 ARG A 44 -7.971 11.855 -5.996 1.00 14.21 H new ATOM 0 HG2 ARG A 44 -5.921 13.001 -4.055 1.00 21.22 H new ATOM 0 HG3 ARG A 44 -5.789 12.992 -5.802 1.00 21.22 H new ATOM 0 HD2 ARG A 44 -7.758 14.450 -6.010 1.00 13.01 H new ATOM 0 HD3 ARG A 44 -8.049 14.365 -4.284 1.00 13.01 H new ATOM 0 HE ARG A 44 -5.496 15.534 -5.322 1.00 2.33 H new ATOM 0 HH11 ARG A 44 -8.484 15.802 -3.530 1.00 31.24 H new ATOM 0 HH12 ARG A 44 -8.044 17.368 -2.839 1.00 31.24 H new ATOM 0 HH21 ARG A 44 -4.977 17.504 -4.453 1.00 33.14 H new ATOM 0 HH22 ARG A 44 -6.097 18.313 -3.352 1.00 33.14 H new ATOM 702 N ALA A 45 -9.269 9.562 -3.463 1.00 65.13 N ATOM 703 CA ALA A 45 -10.194 8.429 -3.475 1.00 61.52 C ATOM 704 C ALA A 45 -9.998 7.575 -2.216 1.00 23.01 C ATOM 705 O ALA A 45 -9.019 7.747 -1.485 1.00 2.21 O ATOM 706 CB ALA A 45 -9.989 7.586 -4.734 1.00 41.53 C ATOM 0 H ALA A 45 -8.436 9.406 -2.895 1.00 65.13 H new ATOM 0 HA ALA A 45 -11.215 8.810 -3.481 1.00 61.52 H new ATOM 0 HB1 ALA A 45 -10.685 6.747 -4.727 1.00 41.53 H new ATOM 0 HB2 ALA A 45 -10.169 8.200 -5.616 1.00 41.53 H new ATOM 0 HB3 ALA A 45 -8.967 7.209 -4.757 1.00 41.53 H new ATOM 712 N ASP A 46 -10.928 6.668 -1.949 1.00 3.00 N ATOM 713 CA ASP A 46 -10.804 5.762 -0.804 1.00 3.42 C ATOM 714 C ASP A 46 -9.732 4.693 -1.079 1.00 22.13 C ATOM 715 O ASP A 46 -10.033 3.609 -1.580 1.00 14.33 O ATOM 716 CB ASP A 46 -12.152 5.103 -0.500 1.00 10.04 C ATOM 717 CG ASP A 46 -13.259 6.124 -0.312 1.00 50.31 C ATOM 718 OD1 ASP A 46 -13.223 6.866 0.691 1.00 1.51 O ATOM 719 OD2 ASP A 46 -14.170 6.187 -1.165 1.00 42.24 O ATOM 0 H ASP A 46 -11.774 6.536 -2.503 1.00 3.00 H new ATOM 0 HA ASP A 46 -10.497 6.342 0.067 1.00 3.42 H new ATOM 0 HB2 ASP A 46 -12.417 4.428 -1.314 1.00 10.04 H new ATOM 0 HB3 ASP A 46 -12.063 4.496 0.401 1.00 10.04 H new ATOM 724 N ALA A 47 -8.479 5.025 -0.780 1.00 4.44 N ATOM 725 CA ALA A 47 -7.337 4.155 -1.094 1.00 4.12 C ATOM 726 C ALA A 47 -7.429 2.775 -0.427 1.00 61.11 C ATOM 727 O ALA A 47 -7.615 1.760 -1.102 1.00 12.44 O ATOM 728 CB ALA A 47 -6.033 4.845 -0.706 1.00 0.53 C ATOM 0 H ALA A 47 -8.222 5.897 -0.317 1.00 4.44 H new ATOM 0 HA ALA A 47 -7.358 3.981 -2.170 1.00 4.12 H new ATOM 0 HB1 ALA A 47 -5.192 4.193 -0.942 1.00 0.53 H new ATOM 0 HB2 ALA A 47 -5.936 5.778 -1.261 1.00 0.53 H new ATOM 0 HB3 ALA A 47 -6.038 5.058 0.363 1.00 0.53 H new ATOM 734 N TRP A 48 -7.309 2.743 0.898 1.00 42.20 N ATOM 735 CA TRP A 48 -7.278 1.480 1.646 1.00 12.12 C ATOM 736 C TRP A 48 -8.607 0.718 1.515 1.00 62.01 C ATOM 737 O TRP A 48 -8.634 -0.515 1.494 1.00 32.12 O ATOM 738 CB TRP A 48 -6.962 1.757 3.122 1.00 3.54 C ATOM 739 CG TRP A 48 -6.579 0.529 3.894 1.00 5.44 C ATOM 740 CD1 TRP A 48 -5.401 -0.159 3.807 1.00 71.45 C ATOM 741 CD2 TRP A 48 -7.368 -0.149 4.880 1.00 73.44 C ATOM 742 NE1 TRP A 48 -5.414 -1.226 4.667 1.00 61.21 N ATOM 743 CE2 TRP A 48 -6.609 -1.241 5.340 1.00 21.13 C ATOM 744 CE3 TRP A 48 -8.643 0.062 5.417 1.00 70.04 C ATOM 745 CZ2 TRP A 48 -7.083 -2.118 6.312 1.00 44.15 C ATOM 746 CZ3 TRP A 48 -9.110 -0.812 6.382 1.00 3.25 C ATOM 747 CH2 TRP A 48 -8.331 -1.888 6.821 1.00 20.55 C ATOM 0 H TRP A 48 -7.231 3.577 1.480 1.00 42.20 H new ATOM 0 HA TRP A 48 -6.494 0.851 1.223 1.00 12.12 H new ATOM 0 HB2 TRP A 48 -6.150 2.482 3.181 1.00 3.54 H new ATOM 0 HB3 TRP A 48 -7.833 2.215 3.592 1.00 3.54 H new ATOM 0 HD1 TRP A 48 -4.580 0.100 3.155 1.00 71.45 H new ATOM 0 HE1 TRP A 48 -4.658 -1.900 4.787 1.00 61.21 H new ATOM 0 HE3 TRP A 48 -9.250 0.891 5.085 1.00 70.04 H new ATOM 0 HZ2 TRP A 48 -6.486 -2.951 6.652 1.00 44.15 H new ATOM 0 HZ3 TRP A 48 -10.093 -0.661 6.804 1.00 3.25 H new ATOM 0 HH2 TRP A 48 -8.724 -2.551 7.578 1.00 20.55 H new ATOM 758 N GLN A 49 -9.708 1.465 1.416 1.00 21.11 N ATOM 759 CA GLN A 49 -11.040 0.872 1.248 1.00 73.34 C ATOM 760 C GLN A 49 -11.144 0.094 -0.073 1.00 60.10 C ATOM 761 O GLN A 49 -11.576 -1.057 -0.091 1.00 61.31 O ATOM 762 CB GLN A 49 -12.125 1.957 1.304 1.00 60.22 C ATOM 763 CG GLN A 49 -13.550 1.412 1.201 1.00 63.15 C ATOM 764 CD GLN A 49 -13.920 0.477 2.343 1.00 11.14 C ATOM 765 OE1 GLN A 49 -14.697 -0.459 2.174 1.00 43.23 O ATOM 766 NE2 GLN A 49 -13.388 0.729 3.523 1.00 22.43 N ATOM 0 H GLN A 49 -9.705 2.484 1.449 1.00 21.11 H new ATOM 0 HA GLN A 49 -11.194 0.172 2.069 1.00 73.34 H new ATOM 0 HB2 GLN A 49 -12.024 2.510 2.238 1.00 60.22 H new ATOM 0 HB3 GLN A 49 -11.958 2.667 0.494 1.00 60.22 H new ATOM 0 HG2 GLN A 49 -14.251 2.247 1.182 1.00 63.15 H new ATOM 0 HG3 GLN A 49 -13.661 0.881 0.255 1.00 63.15 H new ATOM 0 HE21 GLN A 49 -12.745 1.513 3.636 1.00 22.43 H new ATOM 0 HE22 GLN A 49 -13.619 0.140 4.323 1.00 22.43 H new ATOM 775 N GLN A 50 -10.744 0.726 -1.175 1.00 1.31 N ATOM 776 CA GLN A 50 -10.764 0.064 -2.485 1.00 31.04 C ATOM 777 C GLN A 50 -9.740 -1.078 -2.550 1.00 23.24 C ATOM 778 O GLN A 50 -9.990 -2.107 -3.174 1.00 75.20 O ATOM 779 CB GLN A 50 -10.509 1.077 -3.608 1.00 12.12 C ATOM 780 CG GLN A 50 -11.632 2.099 -3.774 1.00 3.44 C ATOM 781 CD GLN A 50 -11.345 3.120 -4.861 1.00 34.30 C ATOM 782 OE1 GLN A 50 -11.694 2.929 -6.020 1.00 25.43 O ATOM 783 NE2 GLN A 50 -10.698 4.210 -4.497 1.00 44.41 N ATOM 0 H GLN A 50 -10.404 1.688 -1.191 1.00 1.31 H new ATOM 0 HA GLN A 50 -11.756 -0.367 -2.623 1.00 31.04 H new ATOM 0 HB2 GLN A 50 -9.576 1.604 -3.406 1.00 12.12 H new ATOM 0 HB3 GLN A 50 -10.375 0.540 -4.547 1.00 12.12 H new ATOM 0 HG2 GLN A 50 -12.560 1.577 -4.008 1.00 3.44 H new ATOM 0 HG3 GLN A 50 -11.788 2.617 -2.828 1.00 3.44 H new ATOM 0 HE21 GLN A 50 -10.422 4.338 -3.523 1.00 44.41 H new ATOM 0 HE22 GLN A 50 -10.474 4.925 -5.189 1.00 44.41 H new ATOM 792 N LEU A 51 -8.594 -0.898 -1.893 1.00 43.33 N ATOM 793 CA LEU A 51 -7.570 -1.946 -1.829 1.00 71.32 C ATOM 794 C LEU A 51 -8.120 -3.223 -1.175 1.00 64.21 C ATOM 795 O LEU A 51 -8.033 -4.314 -1.744 1.00 61.41 O ATOM 796 CB LEU A 51 -6.340 -1.450 -1.054 1.00 64.54 C ATOM 797 CG LEU A 51 -5.226 -2.495 -0.863 1.00 25.42 C ATOM 798 CD1 LEU A 51 -4.733 -3.018 -2.210 1.00 44.52 C ATOM 799 CD2 LEU A 51 -4.070 -1.915 -0.046 1.00 52.12 C ATOM 0 H LEU A 51 -8.350 -0.040 -1.398 1.00 43.33 H new ATOM 0 HA LEU A 51 -7.276 -2.184 -2.851 1.00 71.32 H new ATOM 0 HB2 LEU A 51 -5.924 -0.589 -1.576 1.00 64.54 H new ATOM 0 HB3 LEU A 51 -6.663 -1.102 -0.073 1.00 64.54 H new ATOM 0 HG LEU A 51 -5.643 -3.336 -0.308 1.00 25.42 H new ATOM 0 HD11 LEU A 51 -3.946 -3.755 -2.048 1.00 44.52 H new ATOM 0 HD12 LEU A 51 -5.561 -3.483 -2.745 1.00 44.52 H new ATOM 0 HD13 LEU A 51 -4.339 -2.190 -2.800 1.00 44.52 H new ATOM 0 HD21 LEU A 51 -3.295 -2.672 0.076 1.00 52.12 H new ATOM 0 HD22 LEU A 51 -3.655 -1.051 -0.565 1.00 52.12 H new ATOM 0 HD23 LEU A 51 -4.435 -1.608 0.934 1.00 52.12 H new ATOM 811 N LYS A 52 -8.686 -3.083 0.023 1.00 0.14 N ATOM 812 CA LYS A 52 -9.267 -4.228 0.724 1.00 70.25 C ATOM 813 C LYS A 52 -10.475 -4.784 -0.051 1.00 13.15 C ATOM 814 O LYS A 52 -10.675 -5.995 -0.113 1.00 11.50 O ATOM 815 CB LYS A 52 -9.660 -3.843 2.160 1.00 44.33 C ATOM 816 CG LYS A 52 -10.825 -2.858 2.261 1.00 34.44 C ATOM 817 CD LYS A 52 -11.058 -2.380 3.697 1.00 13.25 C ATOM 818 CE LYS A 52 -11.238 -3.537 4.681 1.00 65.23 C ATOM 819 NZ LYS A 52 -12.379 -4.419 4.321 1.00 74.41 N ATOM 0 H LYS A 52 -8.755 -2.198 0.525 1.00 0.14 H new ATOM 0 HA LYS A 52 -8.514 -5.014 0.781 1.00 70.25 H new ATOM 0 HB2 LYS A 52 -9.920 -4.750 2.706 1.00 44.33 H new ATOM 0 HB3 LYS A 52 -8.792 -3.410 2.656 1.00 44.33 H new ATOM 0 HG2 LYS A 52 -10.627 -1.998 1.622 1.00 34.44 H new ATOM 0 HG3 LYS A 52 -11.732 -3.332 1.886 1.00 34.44 H new ATOM 0 HD2 LYS A 52 -10.214 -1.767 4.013 1.00 13.25 H new ATOM 0 HD3 LYS A 52 -11.942 -1.743 3.725 1.00 13.25 H new ATOM 0 HE2 LYS A 52 -10.323 -4.128 4.713 1.00 65.23 H new ATOM 0 HE3 LYS A 52 -11.395 -3.137 5.683 1.00 65.23 H new ATOM 0 HZ1 LYS A 52 -12.511 -5.136 5.063 1.00 74.41 H new ATOM 0 HZ2 LYS A 52 -13.244 -3.849 4.233 1.00 74.41 H new ATOM 0 HZ3 LYS A 52 -12.181 -4.890 3.415 1.00 74.41 H new ATOM 833 N ASP A 53 -11.260 -3.892 -0.658 1.00 3.34 N ATOM 834 CA ASP A 53 -12.385 -4.292 -1.513 1.00 73.11 C ATOM 835 C ASP A 53 -11.922 -5.227 -2.648 1.00 14.31 C ATOM 836 O ASP A 53 -12.539 -6.264 -2.906 1.00 33.21 O ATOM 837 CB ASP A 53 -13.068 -3.045 -2.094 1.00 71.13 C ATOM 838 CG ASP A 53 -14.205 -3.387 -3.038 1.00 22.20 C ATOM 839 OD1 ASP A 53 -15.300 -3.742 -2.553 1.00 20.23 O ATOM 840 OD2 ASP A 53 -14.013 -3.303 -4.269 1.00 3.11 O ATOM 0 H ASP A 53 -11.138 -2.883 -0.574 1.00 3.34 H new ATOM 0 HA ASP A 53 -13.100 -4.842 -0.901 1.00 73.11 H new ATOM 0 HB2 ASP A 53 -13.451 -2.432 -1.278 1.00 71.13 H new ATOM 0 HB3 ASP A 53 -12.329 -2.445 -2.624 1.00 71.13 H new ATOM 845 N GLU A 54 -10.832 -4.853 -3.315 1.00 10.44 N ATOM 846 CA GLU A 54 -10.230 -5.690 -4.358 1.00 45.04 C ATOM 847 C GLU A 54 -9.860 -7.077 -3.814 1.00 32.15 C ATOM 848 O GLU A 54 -10.153 -8.098 -4.434 1.00 35.02 O ATOM 849 CB GLU A 54 -8.978 -5.005 -4.930 1.00 51.24 C ATOM 850 CG GLU A 54 -9.265 -3.729 -5.716 1.00 34.33 C ATOM 851 CD GLU A 54 -9.982 -3.990 -7.032 1.00 32.24 C ATOM 852 OE1 GLU A 54 -11.231 -4.043 -7.043 1.00 52.33 O ATOM 853 OE2 GLU A 54 -9.299 -4.144 -8.062 1.00 71.21 O ATOM 0 H GLU A 54 -10.344 -3.972 -3.153 1.00 10.44 H new ATOM 0 HA GLU A 54 -10.967 -5.819 -5.151 1.00 45.04 H new ATOM 0 HB2 GLU A 54 -8.301 -4.768 -4.109 1.00 51.24 H new ATOM 0 HB3 GLU A 54 -8.458 -5.709 -5.580 1.00 51.24 H new ATOM 0 HG2 GLU A 54 -9.871 -3.061 -5.105 1.00 34.33 H new ATOM 0 HG3 GLU A 54 -8.326 -3.213 -5.916 1.00 34.33 H new ATOM 860 N LEU A 55 -9.226 -7.106 -2.646 1.00 12.04 N ATOM 861 CA LEU A 55 -8.803 -8.366 -2.025 1.00 52.33 C ATOM 862 C LEU A 55 -10.007 -9.218 -1.572 1.00 34.15 C ATOM 863 O LEU A 55 -9.915 -10.442 -1.509 1.00 42.31 O ATOM 864 CB LEU A 55 -7.864 -8.086 -0.844 1.00 70.44 C ATOM 865 CG LEU A 55 -6.568 -7.330 -1.200 1.00 41.44 C ATOM 866 CD1 LEU A 55 -5.731 -7.073 0.049 1.00 51.14 C ATOM 867 CD2 LEU A 55 -5.759 -8.104 -2.242 1.00 61.12 C ATOM 0 H LEU A 55 -8.992 -6.273 -2.106 1.00 12.04 H new ATOM 0 HA LEU A 55 -8.265 -8.942 -2.778 1.00 52.33 H new ATOM 0 HB2 LEU A 55 -8.409 -7.509 -0.097 1.00 70.44 H new ATOM 0 HB3 LEU A 55 -7.596 -9.036 -0.381 1.00 70.44 H new ATOM 0 HG LEU A 55 -6.844 -6.367 -1.629 1.00 41.44 H new ATOM 0 HD11 LEU A 55 -4.822 -6.539 -0.226 1.00 51.14 H new ATOM 0 HD12 LEU A 55 -6.305 -6.473 0.755 1.00 51.14 H new ATOM 0 HD13 LEU A 55 -5.467 -8.024 0.512 1.00 51.14 H new ATOM 0 HD21 LEU A 55 -4.849 -7.553 -2.479 1.00 61.12 H new ATOM 0 HD22 LEU A 55 -5.497 -9.084 -1.844 1.00 61.12 H new ATOM 0 HD23 LEU A 55 -6.354 -8.227 -3.147 1.00 61.12 H new ATOM 879 N GLU A 56 -11.131 -8.570 -1.252 1.00 43.10 N ATOM 880 CA GLU A 56 -12.371 -9.295 -0.924 1.00 41.35 C ATOM 881 C GLU A 56 -13.004 -9.893 -2.191 1.00 44.52 C ATOM 882 O GLU A 56 -13.627 -10.959 -2.152 1.00 13.44 O ATOM 883 CB GLU A 56 -13.388 -8.375 -0.226 1.00 54.51 C ATOM 884 CG GLU A 56 -12.890 -7.751 1.076 1.00 73.54 C ATOM 885 CD GLU A 56 -12.472 -8.775 2.124 1.00 32.21 C ATOM 886 OE1 GLU A 56 -13.353 -9.467 2.673 1.00 54.45 O ATOM 887 OE2 GLU A 56 -11.259 -8.881 2.411 1.00 54.25 O ATOM 0 H GLU A 56 -11.212 -7.554 -1.212 1.00 43.10 H new ATOM 0 HA GLU A 56 -12.105 -10.102 -0.241 1.00 41.35 H new ATOM 0 HB2 GLU A 56 -13.667 -7.576 -0.913 1.00 54.51 H new ATOM 0 HB3 GLU A 56 -14.292 -8.947 -0.017 1.00 54.51 H new ATOM 0 HG2 GLU A 56 -12.042 -7.102 0.857 1.00 73.54 H new ATOM 0 HG3 GLU A 56 -13.676 -7.120 1.490 1.00 73.54 H new ATOM 894 N ALA A 57 -12.850 -9.188 -3.310 1.00 63.12 N ATOM 895 CA ALA A 57 -13.347 -9.661 -4.604 1.00 14.42 C ATOM 896 C ALA A 57 -12.488 -10.808 -5.155 1.00 50.31 C ATOM 897 O ALA A 57 -13.004 -11.758 -5.753 1.00 44.25 O ATOM 898 CB ALA A 57 -13.389 -8.508 -5.599 1.00 33.13 C ATOM 0 H ALA A 57 -12.383 -8.282 -3.348 1.00 63.12 H new ATOM 0 HA ALA A 57 -14.356 -10.046 -4.455 1.00 14.42 H new ATOM 0 HB1 ALA A 57 -13.760 -8.869 -6.558 1.00 33.13 H new ATOM 0 HB2 ALA A 57 -14.051 -7.728 -5.224 1.00 33.13 H new ATOM 0 HB3 ALA A 57 -12.386 -8.101 -5.727 1.00 33.13 H new ATOM 904 N LYS A 58 -11.174 -10.712 -4.959 1.00 53.01 N ATOM 905 CA LYS A 58 -10.245 -11.754 -5.396 1.00 71.43 C ATOM 906 C LYS A 58 -10.240 -12.917 -4.389 1.00 15.20 C ATOM 907 O LYS A 58 -9.462 -12.935 -3.437 1.00 4.41 O ATOM 908 CB LYS A 58 -8.840 -11.160 -5.554 1.00 63.34 C ATOM 909 CG LYS A 58 -8.797 -9.932 -6.462 1.00 42.15 C ATOM 910 CD LYS A 58 -7.451 -9.218 -6.394 1.00 53.35 C ATOM 911 CE LYS A 58 -7.462 -7.901 -7.165 1.00 51.40 C ATOM 912 NZ LYS A 58 -7.654 -8.099 -8.625 1.00 25.31 N ATOM 0 H LYS A 58 -10.727 -9.920 -4.498 1.00 53.01 H new ATOM 0 HA LYS A 58 -10.568 -12.144 -6.361 1.00 71.43 H new ATOM 0 HB2 LYS A 58 -8.456 -10.889 -4.571 1.00 63.34 H new ATOM 0 HB3 LYS A 58 -8.174 -11.923 -5.957 1.00 63.34 H new ATOM 0 HG2 LYS A 58 -8.995 -10.234 -7.490 1.00 42.15 H new ATOM 0 HG3 LYS A 58 -9.589 -9.241 -6.174 1.00 42.15 H new ATOM 0 HD2 LYS A 58 -7.195 -9.026 -5.352 1.00 53.35 H new ATOM 0 HD3 LYS A 58 -6.675 -9.868 -6.798 1.00 53.35 H new ATOM 0 HE2 LYS A 58 -8.259 -7.265 -6.780 1.00 51.40 H new ATOM 0 HE3 LYS A 58 -6.523 -7.375 -6.993 1.00 51.40 H new ATOM 0 HZ1 LYS A 58 -6.926 -7.569 -9.146 1.00 25.31 H new ATOM 0 HZ2 LYS A 58 -7.574 -9.111 -8.852 1.00 25.31 H new ATOM 0 HZ3 LYS A 58 -8.596 -7.755 -8.901 1.00 25.31 H new ATOM 926 N HIS A 59 -11.122 -13.885 -4.613 1.00 50.24 N ATOM 927 CA HIS A 59 -11.391 -14.948 -3.635 1.00 45.52 C ATOM 928 C HIS A 59 -10.268 -15.998 -3.534 1.00 60.21 C ATOM 929 O HIS A 59 -10.359 -16.925 -2.732 1.00 61.12 O ATOM 930 CB HIS A 59 -12.729 -15.620 -3.965 1.00 70.05 C ATOM 931 CG HIS A 59 -13.910 -14.728 -3.721 1.00 30.04 C ATOM 932 ND1 HIS A 59 -14.420 -13.860 -4.666 1.00 64.54 N ATOM 933 CD2 HIS A 59 -14.685 -14.570 -2.621 1.00 65.03 C ATOM 934 CE1 HIS A 59 -15.449 -13.210 -4.157 1.00 51.11 C ATOM 935 NE2 HIS A 59 -15.628 -13.622 -2.921 1.00 62.32 N ATOM 0 H HIS A 59 -11.670 -13.960 -5.470 1.00 50.24 H new ATOM 0 HA HIS A 59 -11.438 -14.472 -2.656 1.00 45.52 H new ATOM 0 HB2 HIS A 59 -12.725 -15.930 -5.010 1.00 70.05 H new ATOM 0 HB3 HIS A 59 -12.833 -16.524 -3.364 1.00 70.05 H new ATOM 0 HD1 HIS A 59 -14.057 -13.740 -5.612 1.00 64.54 H new ATOM 0 HD2 HIS A 59 -14.579 -15.094 -1.682 1.00 65.03 H new ATOM 0 HE1 HIS A 59 -16.043 -12.467 -4.668 1.00 51.11 H new ATOM 944 N TRP A 60 -9.219 -15.858 -4.340 1.00 43.44 N ATOM 945 CA TRP A 60 -8.061 -16.762 -4.251 1.00 73.11 C ATOM 946 C TRP A 60 -6.962 -16.181 -3.336 1.00 73.44 C ATOM 947 O TRP A 60 -5.885 -16.759 -3.195 1.00 44.21 O ATOM 948 CB TRP A 60 -7.508 -17.075 -5.653 1.00 41.42 C ATOM 949 CG TRP A 60 -7.057 -15.873 -6.431 1.00 60.11 C ATOM 950 CD1 TRP A 60 -7.851 -14.941 -7.036 1.00 63.14 C ATOM 951 CD2 TRP A 60 -5.705 -15.488 -6.711 1.00 15.34 C ATOM 952 NE1 TRP A 60 -7.077 -13.999 -7.664 1.00 22.14 N ATOM 953 CE2 TRP A 60 -5.756 -14.313 -7.479 1.00 54.11 C ATOM 954 CE3 TRP A 60 -4.456 -16.026 -6.380 1.00 10.40 C ATOM 955 CZ2 TRP A 60 -4.605 -13.662 -7.923 1.00 61.02 C ATOM 956 CZ3 TRP A 60 -3.316 -15.380 -6.820 1.00 61.12 C ATOM 957 CH2 TRP A 60 -3.397 -14.210 -7.585 1.00 64.21 C ATOM 0 H TRP A 60 -9.140 -15.137 -5.057 1.00 43.44 H new ATOM 0 HA TRP A 60 -8.398 -17.696 -3.802 1.00 73.11 H new ATOM 0 HB2 TRP A 60 -6.668 -17.762 -5.552 1.00 41.42 H new ATOM 0 HB3 TRP A 60 -8.277 -17.594 -6.225 1.00 41.42 H new ATOM 0 HD1 TRP A 60 -8.931 -14.945 -7.022 1.00 63.14 H new ATOM 0 HE1 TRP A 60 -7.428 -13.195 -8.184 1.00 22.14 H new ATOM 0 HE3 TRP A 60 -4.384 -16.929 -5.792 1.00 10.40 H new ATOM 0 HZ2 TRP A 60 -4.665 -12.759 -8.512 1.00 61.02 H new ATOM 0 HZ3 TRP A 60 -2.346 -15.784 -6.570 1.00 61.12 H new ATOM 0 HH2 TRP A 60 -2.488 -13.730 -7.915 1.00 64.21 H new ATOM 968 N ILE A 61 -7.253 -15.036 -2.719 1.00 3.12 N ATOM 969 CA ILE A 61 -6.355 -14.417 -1.731 1.00 60.12 C ATOM 970 C ILE A 61 -6.720 -14.890 -0.310 1.00 21.34 C ATOM 971 O ILE A 61 -7.896 -14.905 0.068 1.00 73.33 O ATOM 972 CB ILE A 61 -6.428 -12.859 -1.795 1.00 15.00 C ATOM 973 CG1 ILE A 61 -5.685 -12.300 -3.027 1.00 23.13 C ATOM 974 CG2 ILE A 61 -5.863 -12.233 -0.522 1.00 74.23 C ATOM 975 CD1 ILE A 61 -6.132 -12.869 -4.354 1.00 3.43 C ATOM 0 H ILE A 61 -8.111 -14.510 -2.885 1.00 3.12 H new ATOM 0 HA ILE A 61 -5.337 -14.725 -1.970 1.00 60.12 H new ATOM 0 HB ILE A 61 -7.481 -12.594 -1.885 1.00 15.00 H new ATOM 0 HG12 ILE A 61 -5.814 -11.218 -3.051 1.00 23.13 H new ATOM 0 HG13 ILE A 61 -4.619 -12.491 -2.907 1.00 23.13 H new ATOM 0 HG21 ILE A 61 -5.925 -11.147 -0.592 1.00 74.23 H new ATOM 0 HG22 ILE A 61 -6.439 -12.575 0.338 1.00 74.23 H new ATOM 0 HG23 ILE A 61 -4.821 -12.530 -0.402 1.00 74.23 H new ATOM 0 HD11 ILE A 61 -5.553 -12.415 -5.158 1.00 3.43 H new ATOM 0 HD12 ILE A 61 -5.976 -13.948 -4.358 1.00 3.43 H new ATOM 0 HD13 ILE A 61 -7.190 -12.655 -4.504 1.00 3.43 H new ATOM 987 N ALA A 62 -5.714 -15.254 0.485 1.00 42.32 N ATOM 988 CA ALA A 62 -5.952 -15.814 1.820 1.00 74.15 C ATOM 989 C ALA A 62 -6.061 -14.718 2.894 1.00 75.45 C ATOM 990 O ALA A 62 -5.868 -13.531 2.622 1.00 44.10 O ATOM 991 CB ALA A 62 -4.849 -16.801 2.185 1.00 62.23 C ATOM 0 H ALA A 62 -4.729 -15.173 0.231 1.00 42.32 H new ATOM 0 HA ALA A 62 -6.907 -16.338 1.788 1.00 74.15 H new ATOM 0 HB1 ALA A 62 -5.039 -17.208 3.178 1.00 62.23 H new ATOM 0 HB2 ALA A 62 -4.831 -17.612 1.457 1.00 62.23 H new ATOM 0 HB3 ALA A 62 -3.887 -16.289 2.181 1.00 62.23 H new ATOM 997 N GLU A 63 -6.377 -15.125 4.121 1.00 43.44 N ATOM 998 CA GLU A 63 -6.521 -14.182 5.235 1.00 41.11 C ATOM 999 C GLU A 63 -5.168 -13.577 5.650 1.00 42.54 C ATOM 1000 O GLU A 63 -5.007 -12.357 5.677 1.00 65.41 O ATOM 1001 CB GLU A 63 -7.168 -14.877 6.441 1.00 24.14 C ATOM 1002 CG GLU A 63 -7.368 -13.960 7.645 1.00 31.55 C ATOM 1003 CD GLU A 63 -7.922 -14.687 8.859 1.00 44.21 C ATOM 1004 OE1 GLU A 63 -9.160 -14.767 9.001 1.00 72.40 O ATOM 1005 OE2 GLU A 63 -7.121 -15.182 9.682 1.00 73.32 O ATOM 0 H GLU A 63 -6.539 -16.100 4.372 1.00 43.44 H new ATOM 0 HA GLU A 63 -7.163 -13.370 4.893 1.00 41.11 H new ATOM 0 HB2 GLU A 63 -8.134 -15.282 6.140 1.00 24.14 H new ATOM 0 HB3 GLU A 63 -6.547 -15.722 6.738 1.00 24.14 H new ATOM 0 HG2 GLU A 63 -6.415 -13.500 7.907 1.00 31.55 H new ATOM 0 HG3 GLU A 63 -8.047 -13.152 7.371 1.00 31.55 H new ATOM 1012 N ALA A 64 -4.201 -14.439 5.960 1.00 42.21 N ATOM 1013 CA ALA A 64 -2.902 -14.001 6.488 1.00 65.51 C ATOM 1014 C ALA A 64 -2.191 -12.993 5.567 1.00 3.35 C ATOM 1015 O ALA A 64 -1.752 -11.931 6.019 1.00 22.20 O ATOM 1016 CB ALA A 64 -2.010 -15.212 6.728 1.00 60.30 C ATOM 0 H ALA A 64 -4.290 -15.450 5.855 1.00 42.21 H new ATOM 0 HA ALA A 64 -3.094 -13.485 7.429 1.00 65.51 H new ATOM 0 HB1 ALA A 64 -1.047 -14.883 7.120 1.00 60.30 H new ATOM 0 HB2 ALA A 64 -2.486 -15.878 7.448 1.00 60.30 H new ATOM 0 HB3 ALA A 64 -1.857 -15.743 5.789 1.00 60.30 H new ATOM 1022 N ASP A 65 -2.088 -13.321 4.280 1.00 32.22 N ATOM 1023 CA ASP A 65 -1.425 -12.442 3.305 1.00 52.22 C ATOM 1024 C ASP A 65 -2.219 -11.146 3.057 1.00 34.33 C ATOM 1025 O ASP A 65 -1.646 -10.053 3.046 1.00 15.13 O ATOM 1026 CB ASP A 65 -1.166 -13.188 1.988 1.00 3.02 C ATOM 1027 CG ASP A 65 -2.242 -14.208 1.685 1.00 45.21 C ATOM 1028 OD1 ASP A 65 -2.180 -15.305 2.273 1.00 43.14 O ATOM 1029 OD2 ASP A 65 -3.159 -13.908 0.895 1.00 45.35 O ATOM 0 H ASP A 65 -2.453 -14.187 3.884 1.00 32.22 H new ATOM 0 HA ASP A 65 -0.466 -12.151 3.733 1.00 52.22 H new ATOM 0 HB2 ASP A 65 -1.109 -12.469 1.171 1.00 3.02 H new ATOM 0 HB3 ASP A 65 -0.199 -13.688 2.040 1.00 3.02 H new ATOM 1034 N ARG A 66 -3.532 -11.268 2.863 1.00 53.35 N ATOM 1035 CA ARG A 66 -4.405 -10.098 2.688 1.00 0.52 C ATOM 1036 C ARG A 66 -4.315 -9.127 3.879 1.00 33.34 C ATOM 1037 O ARG A 66 -4.123 -7.926 3.692 1.00 41.21 O ATOM 1038 CB ARG A 66 -5.846 -10.569 2.450 1.00 35.03 C ATOM 1039 CG ARG A 66 -6.940 -9.563 2.785 1.00 63.12 C ATOM 1040 CD ARG A 66 -8.281 -9.991 2.181 1.00 42.14 C ATOM 1041 NE ARG A 66 -8.446 -11.449 2.137 1.00 44.52 N ATOM 1042 CZ ARG A 66 -9.547 -12.056 1.777 1.00 75.42 C ATOM 1043 NH1 ARG A 66 -10.628 -11.380 1.547 1.00 63.33 N ATOM 1044 NH2 ARG A 66 -9.565 -13.345 1.660 1.00 20.24 N ATOM 0 H ARG A 66 -4.018 -12.164 2.822 1.00 53.35 H new ATOM 0 HA ARG A 66 -4.066 -9.540 1.815 1.00 0.52 H new ATOM 0 HB2 ARG A 66 -5.947 -10.850 1.402 1.00 35.03 H new ATOM 0 HB3 ARG A 66 -6.015 -11.470 3.040 1.00 35.03 H new ATOM 0 HG2 ARG A 66 -7.037 -9.472 3.867 1.00 63.12 H new ATOM 0 HG3 ARG A 66 -6.663 -8.579 2.406 1.00 63.12 H new ATOM 0 HD2 ARG A 66 -9.092 -9.556 2.764 1.00 42.14 H new ATOM 0 HD3 ARG A 66 -8.364 -9.590 1.171 1.00 42.14 H new ATOM 0 HE ARG A 66 -7.649 -12.027 2.405 1.00 44.52 H new ATOM 0 HH11 ARG A 66 -10.625 -10.365 1.646 1.00 63.33 H new ATOM 0 HH12 ARG A 66 -11.482 -11.863 1.267 1.00 63.33 H new ATOM 0 HH21 ARG A 66 -8.721 -13.886 1.849 1.00 20.24 H new ATOM 0 HH22 ARG A 66 -10.423 -13.820 1.379 1.00 20.24 H new ATOM 1058 N ILE A 67 -4.438 -9.643 5.101 1.00 70.42 N ATOM 1059 CA ILE A 67 -4.301 -8.807 6.301 1.00 11.40 C ATOM 1060 C ILE A 67 -2.892 -8.195 6.391 1.00 35.32 C ATOM 1061 O ILE A 67 -2.734 -7.032 6.762 1.00 11.22 O ATOM 1062 CB ILE A 67 -4.614 -9.605 7.596 1.00 45.31 C ATOM 1063 CG1 ILE A 67 -6.060 -10.132 7.566 1.00 73.15 C ATOM 1064 CG2 ILE A 67 -4.383 -8.747 8.839 1.00 30.21 C ATOM 1065 CD1 ILE A 67 -7.117 -9.046 7.450 1.00 64.21 C ATOM 0 H ILE A 67 -4.631 -10.627 5.290 1.00 70.42 H new ATOM 0 HA ILE A 67 -5.030 -8.002 6.212 1.00 11.40 H new ATOM 0 HB ILE A 67 -3.934 -10.455 7.642 1.00 45.31 H new ATOM 0 HG12 ILE A 67 -6.167 -10.819 6.726 1.00 73.15 H new ATOM 0 HG13 ILE A 67 -6.244 -10.707 8.474 1.00 73.15 H new ATOM 0 HG21 ILE A 67 -4.610 -9.331 9.731 1.00 30.21 H new ATOM 0 HG22 ILE A 67 -3.342 -8.425 8.871 1.00 30.21 H new ATOM 0 HG23 ILE A 67 -5.032 -7.872 8.803 1.00 30.21 H new ATOM 0 HD11 ILE A 67 -8.107 -9.502 7.436 1.00 64.21 H new ATOM 0 HD12 ILE A 67 -7.041 -8.371 8.303 1.00 64.21 H new ATOM 0 HD13 ILE A 67 -6.962 -8.485 6.528 1.00 64.21 H new ATOM 1077 N ASN A 68 -1.876 -8.976 6.019 1.00 51.44 N ATOM 1078 CA ASN A 68 -0.487 -8.500 6.015 1.00 34.32 C ATOM 1079 C ASN A 68 -0.323 -7.243 5.143 1.00 31.52 C ATOM 1080 O ASN A 68 0.091 -6.184 5.625 1.00 73.02 O ATOM 1081 CB ASN A 68 0.452 -9.594 5.497 1.00 45.22 C ATOM 1082 CG ASN A 68 1.900 -9.141 5.459 1.00 63.45 C ATOM 1083 OD1 ASN A 68 2.376 -8.456 6.358 1.00 44.21 O ATOM 1084 ND2 ASN A 68 2.601 -9.490 4.404 1.00 50.31 N ATOM 0 H ASN A 68 -1.987 -9.943 5.716 1.00 51.44 H new ATOM 0 HA ASN A 68 -0.229 -8.248 7.043 1.00 34.32 H new ATOM 0 HB2 ASN A 68 0.366 -10.475 6.133 1.00 45.22 H new ATOM 0 HB3 ASN A 68 0.141 -9.893 4.496 1.00 45.22 H new ATOM 0 HD21 ASN A 68 3.572 -9.190 4.315 1.00 50.31 H new ATOM 0 HD22 ASN A 68 2.174 -10.061 3.674 1.00 50.31 H new ATOM 1091 N VAL A 69 -0.655 -7.368 3.856 1.00 24.31 N ATOM 1092 CA VAL A 69 -0.505 -6.258 2.910 1.00 62.12 C ATOM 1093 C VAL A 69 -1.402 -5.068 3.283 1.00 32.11 C ATOM 1094 O VAL A 69 -1.053 -3.913 3.033 1.00 70.55 O ATOM 1095 CB VAL A 69 -0.784 -6.701 1.451 1.00 5.51 C ATOM 1096 CG1 VAL A 69 0.191 -7.802 1.035 1.00 60.13 C ATOM 1097 CG2 VAL A 69 -2.231 -7.159 1.276 1.00 43.31 C ATOM 0 H VAL A 69 -1.028 -8.224 3.445 1.00 24.31 H new ATOM 0 HA VAL A 69 0.534 -5.936 2.974 1.00 62.12 H new ATOM 0 HB VAL A 69 -0.632 -5.840 0.801 1.00 5.51 H new ATOM 0 HG11 VAL A 69 -0.017 -8.103 0.008 1.00 60.13 H new ATOM 0 HG12 VAL A 69 1.213 -7.428 1.104 1.00 60.13 H new ATOM 0 HG13 VAL A 69 0.073 -8.661 1.696 1.00 60.13 H new ATOM 0 HG21 VAL A 69 -2.394 -7.463 0.242 1.00 43.31 H new ATOM 0 HG22 VAL A 69 -2.428 -8.003 1.938 1.00 43.31 H new ATOM 0 HG23 VAL A 69 -2.905 -6.339 1.523 1.00 43.31 H new ATOM 1107 N LEU A 70 -2.552 -5.352 3.895 1.00 64.50 N ATOM 1108 CA LEU A 70 -3.425 -4.292 4.409 1.00 50.42 C ATOM 1109 C LEU A 70 -2.768 -3.550 5.584 1.00 2.23 C ATOM 1110 O LEU A 70 -2.877 -2.330 5.690 1.00 45.23 O ATOM 1111 CB LEU A 70 -4.788 -4.856 4.837 1.00 34.22 C ATOM 1112 CG LEU A 70 -5.692 -5.340 3.688 1.00 15.14 C ATOM 1113 CD1 LEU A 70 -7.004 -5.906 4.229 1.00 51.23 C ATOM 1114 CD2 LEU A 70 -5.955 -4.206 2.698 1.00 63.34 C ATOM 0 H LEU A 70 -2.900 -6.299 4.047 1.00 64.50 H new ATOM 0 HA LEU A 70 -3.584 -3.581 3.598 1.00 50.42 H new ATOM 0 HB2 LEU A 70 -4.620 -5.689 5.520 1.00 34.22 H new ATOM 0 HB3 LEU A 70 -5.321 -4.087 5.397 1.00 34.22 H new ATOM 0 HG LEU A 70 -5.174 -6.141 3.160 1.00 15.14 H new ATOM 0 HD11 LEU A 70 -7.625 -6.241 3.399 1.00 51.23 H new ATOM 0 HD12 LEU A 70 -6.793 -6.749 4.887 1.00 51.23 H new ATOM 0 HD13 LEU A 70 -7.531 -5.132 4.787 1.00 51.23 H new ATOM 0 HD21 LEU A 70 -6.595 -4.567 1.893 1.00 63.34 H new ATOM 0 HD22 LEU A 70 -6.448 -3.381 3.212 1.00 63.34 H new ATOM 0 HD23 LEU A 70 -5.009 -3.860 2.281 1.00 63.34 H new ATOM 1126 N ASN A 71 -2.080 -4.288 6.457 1.00 23.32 N ATOM 1127 CA ASN A 71 -1.386 -3.689 7.609 1.00 35.42 C ATOM 1128 C ASN A 71 -0.242 -2.767 7.170 1.00 5.24 C ATOM 1129 O ASN A 71 -0.187 -1.604 7.566 1.00 1.54 O ATOM 1130 CB ASN A 71 -0.839 -4.781 8.534 1.00 63.44 C ATOM 1131 CG ASN A 71 -1.929 -5.473 9.326 1.00 10.14 C ATOM 1132 OD1 ASN A 71 -2.930 -4.864 9.693 1.00 31.12 O ATOM 1133 ND2 ASN A 71 -1.744 -6.745 9.602 1.00 4.24 N ATOM 0 H ASN A 71 -1.986 -5.302 6.392 1.00 23.32 H new ATOM 0 HA ASN A 71 -2.118 -3.088 8.148 1.00 35.42 H new ATOM 0 HB2 ASN A 71 -0.302 -5.520 7.940 1.00 63.44 H new ATOM 0 HB3 ASN A 71 -0.118 -4.341 9.223 1.00 63.44 H new ATOM 0 HD21 ASN A 71 -2.445 -7.258 10.137 1.00 4.24 H new ATOM 0 HD22 ASN A 71 -0.900 -7.219 9.281 1.00 4.24 H new ATOM 1140 N GLN A 72 0.663 -3.285 6.340 1.00 34.24 N ATOM 1141 CA GLN A 72 1.799 -2.490 5.855 1.00 40.54 C ATOM 1142 C GLN A 72 1.323 -1.290 5.018 1.00 21.23 C ATOM 1143 O GLN A 72 1.888 -0.198 5.109 1.00 54.12 O ATOM 1144 CB GLN A 72 2.776 -3.368 5.056 1.00 73.34 C ATOM 1145 CG GLN A 72 2.146 -4.073 3.859 1.00 1.41 C ATOM 1146 CD GLN A 72 3.076 -5.071 3.181 1.00 22.44 C ATOM 1147 OE1 GLN A 72 3.002 -5.285 1.978 1.00 74.14 O ATOM 1148 NE2 GLN A 72 3.948 -5.704 3.948 1.00 40.14 N ATOM 0 H GLN A 72 0.636 -4.243 5.990 1.00 34.24 H new ATOM 0 HA GLN A 72 2.328 -2.097 6.723 1.00 40.54 H new ATOM 0 HB2 GLN A 72 3.601 -2.748 4.706 1.00 73.34 H new ATOM 0 HB3 GLN A 72 3.202 -4.118 5.723 1.00 73.34 H new ATOM 0 HG2 GLN A 72 1.245 -4.593 4.186 1.00 1.41 H new ATOM 0 HG3 GLN A 72 1.835 -3.325 3.130 1.00 1.41 H new ATOM 0 HE21 GLN A 72 3.987 -5.505 4.948 1.00 40.14 H new ATOM 0 HE22 GLN A 72 4.582 -6.391 3.540 1.00 40.14 H new ATOM 1157 N ALA A 73 0.274 -1.489 4.216 1.00 45.22 N ATOM 1158 CA ALA A 73 -0.351 -0.384 3.482 1.00 22.42 C ATOM 1159 C ALA A 73 -0.875 0.680 4.456 1.00 43.15 C ATOM 1160 O ALA A 73 -0.656 1.877 4.267 1.00 65.44 O ATOM 1161 CB ALA A 73 -1.482 -0.895 2.596 1.00 24.10 C ATOM 0 H ALA A 73 -0.159 -2.399 4.058 1.00 45.22 H new ATOM 0 HA ALA A 73 0.406 0.072 2.843 1.00 22.42 H new ATOM 0 HB1 ALA A 73 -1.931 -0.058 2.061 1.00 24.10 H new ATOM 0 HB2 ALA A 73 -1.086 -1.614 1.879 1.00 24.10 H new ATOM 0 HB3 ALA A 73 -2.238 -1.379 3.214 1.00 24.10 H new ATOM 1167 N THR A 74 -1.562 0.225 5.504 1.00 0.14 N ATOM 1168 CA THR A 74 -2.051 1.116 6.564 1.00 51.45 C ATOM 1169 C THR A 74 -0.896 1.880 7.223 1.00 32.44 C ATOM 1170 O THR A 74 -1.014 3.071 7.505 1.00 1.50 O ATOM 1171 CB THR A 74 -2.831 0.337 7.655 1.00 4.04 C ATOM 1172 OG1 THR A 74 -3.987 -0.288 7.084 1.00 11.23 O ATOM 1173 CG2 THR A 74 -3.269 1.252 8.797 1.00 52.34 C ATOM 0 H THR A 74 -1.795 -0.758 5.644 1.00 0.14 H new ATOM 0 HA THR A 74 -2.728 1.825 6.087 1.00 51.45 H new ATOM 0 HB THR A 74 -2.159 -0.420 8.058 1.00 4.04 H new ATOM 0 HG1 THR A 74 -3.727 -1.135 6.665 1.00 11.23 H new ATOM 0 HG21 THR A 74 -3.812 0.670 9.542 1.00 52.34 H new ATOM 0 HG22 THR A 74 -2.391 1.703 9.259 1.00 52.34 H new ATOM 0 HG23 THR A 74 -3.917 2.037 8.406 1.00 52.34 H new ATOM 1181 N GLU A 75 0.224 1.194 7.457 1.00 60.10 N ATOM 1182 CA GLU A 75 1.414 1.836 8.030 1.00 32.14 C ATOM 1183 C GLU A 75 1.937 2.954 7.118 1.00 54.10 C ATOM 1184 O GLU A 75 2.286 4.031 7.592 1.00 74.23 O ATOM 1185 CB GLU A 75 2.535 0.814 8.271 1.00 31.15 C ATOM 1186 CG GLU A 75 2.192 -0.275 9.278 1.00 74.22 C ATOM 1187 CD GLU A 75 3.409 -1.100 9.674 1.00 24.44 C ATOM 1188 OE1 GLU A 75 3.748 -2.064 8.958 1.00 51.23 O ATOM 1189 OE2 GLU A 75 4.046 -0.768 10.698 1.00 53.53 O ATOM 0 H GLU A 75 0.335 0.199 7.261 1.00 60.10 H new ATOM 0 HA GLU A 75 1.114 2.268 8.985 1.00 32.14 H new ATOM 0 HB2 GLU A 75 2.792 0.345 7.321 1.00 31.15 H new ATOM 0 HB3 GLU A 75 3.423 1.343 8.616 1.00 31.15 H new ATOM 0 HG2 GLU A 75 1.759 0.180 10.169 1.00 74.22 H new ATOM 0 HG3 GLU A 75 1.432 -0.932 8.855 1.00 74.22 H new ATOM 1196 N VAL A 76 1.995 2.689 5.812 1.00 5.33 N ATOM 1197 CA VAL A 76 2.429 3.699 4.836 1.00 35.55 C ATOM 1198 C VAL A 76 1.481 4.912 4.831 1.00 43.31 C ATOM 1199 O VAL A 76 1.922 6.063 4.822 1.00 73.21 O ATOM 1200 CB VAL A 76 2.517 3.107 3.404 1.00 62.41 C ATOM 1201 CG1 VAL A 76 2.917 4.179 2.390 1.00 43.05 C ATOM 1202 CG2 VAL A 76 3.494 1.931 3.361 1.00 23.41 C ATOM 0 H VAL A 76 1.749 1.788 5.403 1.00 5.33 H new ATOM 0 HA VAL A 76 3.423 4.026 5.141 1.00 35.55 H new ATOM 0 HB VAL A 76 1.527 2.739 3.133 1.00 62.41 H new ATOM 0 HG11 VAL A 76 2.971 3.737 1.395 1.00 43.05 H new ATOM 0 HG12 VAL A 76 2.175 4.977 2.392 1.00 43.05 H new ATOM 0 HG13 VAL A 76 3.891 4.588 2.658 1.00 43.05 H new ATOM 0 HG21 VAL A 76 3.539 1.532 2.348 1.00 23.41 H new ATOM 0 HG22 VAL A 76 4.485 2.270 3.662 1.00 23.41 H new ATOM 0 HG23 VAL A 76 3.155 1.151 4.043 1.00 23.41 H new ATOM 1212 N ILE A 77 0.177 4.645 4.842 1.00 54.13 N ATOM 1213 CA ILE A 77 -0.836 5.705 4.910 1.00 3.50 C ATOM 1214 C ILE A 77 -0.692 6.535 6.198 1.00 21.04 C ATOM 1215 O ILE A 77 -0.636 7.769 6.160 1.00 31.51 O ATOM 1216 CB ILE A 77 -2.267 5.109 4.827 1.00 41.05 C ATOM 1217 CG1 ILE A 77 -2.469 4.400 3.474 1.00 21.31 C ATOM 1218 CG2 ILE A 77 -3.325 6.192 5.037 1.00 23.44 C ATOM 1219 CD1 ILE A 77 -3.822 3.735 3.323 1.00 63.01 C ATOM 0 H ILE A 77 -0.208 3.701 4.805 1.00 54.13 H new ATOM 0 HA ILE A 77 -0.676 6.362 4.055 1.00 3.50 H new ATOM 0 HB ILE A 77 -2.381 4.375 5.625 1.00 41.05 H new ATOM 0 HG12 ILE A 77 -2.341 5.127 2.672 1.00 21.31 H new ATOM 0 HG13 ILE A 77 -1.690 3.648 3.350 1.00 21.31 H new ATOM 0 HG21 ILE A 77 -4.318 5.747 4.974 1.00 23.44 H new ATOM 0 HG22 ILE A 77 -3.192 6.645 6.019 1.00 23.44 H new ATOM 0 HG23 ILE A 77 -3.220 6.957 4.268 1.00 23.44 H new ATOM 0 HD11 ILE A 77 -3.886 3.259 2.345 1.00 63.01 H new ATOM 0 HD12 ILE A 77 -3.947 2.983 4.102 1.00 63.01 H new ATOM 0 HD13 ILE A 77 -4.608 4.485 3.414 1.00 63.01 H new ATOM 1231 N ASN A 78 -0.623 5.847 7.336 1.00 11.51 N ATOM 1232 CA ASN A 78 -0.426 6.504 8.631 1.00 10.04 C ATOM 1233 C ASN A 78 0.911 7.251 8.681 1.00 44.34 C ATOM 1234 O ASN A 78 1.021 8.293 9.323 1.00 63.20 O ATOM 1235 CB ASN A 78 -0.485 5.485 9.771 1.00 41.43 C ATOM 1236 CG ASN A 78 -1.835 4.807 9.885 1.00 35.32 C ATOM 1237 OD1 ASN A 78 -2.857 5.353 9.485 1.00 61.51 O ATOM 1238 ND2 ASN A 78 -1.855 3.623 10.459 1.00 41.02 N ATOM 0 H ASN A 78 -0.701 4.831 7.390 1.00 11.51 H new ATOM 0 HA ASN A 78 -1.233 7.227 8.753 1.00 10.04 H new ATOM 0 HB2 ASN A 78 0.284 4.728 9.616 1.00 41.43 H new ATOM 0 HB3 ASN A 78 -0.255 5.985 10.712 1.00 41.43 H new ATOM 0 HD21 ASN A 78 -2.740 3.131 10.582 1.00 41.02 H new ATOM 0 HD22 ASN A 78 -0.986 3.197 10.780 1.00 41.02 H new ATOM 1245 N PHE A 79 1.923 6.701 8.008 1.00 73.23 N ATOM 1246 CA PHE A 79 3.248 7.326 7.928 1.00 21.11 C ATOM 1247 C PHE A 79 3.172 8.663 7.177 1.00 35.25 C ATOM 1248 O PHE A 79 3.669 9.684 7.650 1.00 71.14 O ATOM 1249 CB PHE A 79 4.229 6.365 7.231 1.00 2.41 C ATOM 1250 CG PHE A 79 5.666 6.817 7.243 1.00 53.11 C ATOM 1251 CD1 PHE A 79 6.399 6.812 8.423 1.00 33.34 C ATOM 1252 CD2 PHE A 79 6.290 7.232 6.074 1.00 75.34 C ATOM 1253 CE1 PHE A 79 7.719 7.212 8.437 1.00 51.22 C ATOM 1254 CE2 PHE A 79 7.613 7.631 6.084 1.00 3.31 C ATOM 1255 CZ PHE A 79 8.328 7.621 7.266 1.00 25.10 C ATOM 0 H PHE A 79 1.850 5.816 7.506 1.00 73.23 H new ATOM 0 HA PHE A 79 3.607 7.530 8.937 1.00 21.11 H new ATOM 0 HB2 PHE A 79 4.165 5.389 7.713 1.00 2.41 H new ATOM 0 HB3 PHE A 79 3.913 6.231 6.197 1.00 2.41 H new ATOM 0 HD1 PHE A 79 5.929 6.491 9.341 1.00 33.34 H new ATOM 0 HD2 PHE A 79 5.736 7.243 5.147 1.00 75.34 H new ATOM 0 HE1 PHE A 79 8.276 7.206 9.362 1.00 51.22 H new ATOM 0 HE2 PHE A 79 8.088 7.951 5.168 1.00 3.31 H new ATOM 0 HZ PHE A 79 9.362 7.933 7.275 1.00 25.10 H new ATOM 1265 N TRP A 80 2.527 8.650 6.011 1.00 63.10 N ATOM 1266 CA TRP A 80 2.312 9.868 5.221 1.00 21.12 C ATOM 1267 C TRP A 80 1.557 10.936 6.038 1.00 21.03 C ATOM 1268 O TRP A 80 1.961 12.100 6.089 1.00 61.22 O ATOM 1269 CB TRP A 80 1.532 9.523 3.942 1.00 62.24 C ATOM 1270 CG TRP A 80 1.307 10.690 3.023 1.00 41.00 C ATOM 1271 CD1 TRP A 80 2.162 11.157 2.067 1.00 3.22 C ATOM 1272 CD2 TRP A 80 0.146 11.533 2.969 1.00 43.12 C ATOM 1273 NE1 TRP A 80 1.609 12.236 1.424 1.00 61.15 N ATOM 1274 CE2 TRP A 80 0.371 12.487 1.961 1.00 41.13 C ATOM 1275 CE3 TRP A 80 -1.058 11.571 3.678 1.00 65.35 C ATOM 1276 CZ2 TRP A 80 -0.565 13.469 1.642 1.00 73.23 C ATOM 1277 CZ3 TRP A 80 -1.987 12.546 3.362 1.00 1.54 C ATOM 1278 CH2 TRP A 80 -1.737 13.483 2.352 1.00 35.34 C ATOM 0 H TRP A 80 2.141 7.806 5.588 1.00 63.10 H new ATOM 0 HA TRP A 80 3.284 10.281 4.951 1.00 21.12 H new ATOM 0 HB2 TRP A 80 2.071 8.747 3.399 1.00 62.24 H new ATOM 0 HB3 TRP A 80 0.565 9.104 4.221 1.00 62.24 H new ATOM 0 HD1 TRP A 80 3.133 10.738 1.848 1.00 3.22 H new ATOM 0 HE1 TRP A 80 2.047 12.765 0.670 1.00 61.15 H new ATOM 0 HE3 TRP A 80 -1.259 10.852 4.458 1.00 65.35 H new ATOM 0 HZ2 TRP A 80 -0.374 14.193 0.864 1.00 73.23 H new ATOM 0 HZ3 TRP A 80 -2.921 12.585 3.903 1.00 1.54 H new ATOM 0 HH2 TRP A 80 -2.483 14.232 2.128 1.00 35.34 H new ATOM 1289 N GLN A 81 0.458 10.525 6.673 1.00 3.24 N ATOM 1290 CA GLN A 81 -0.325 11.416 7.541 1.00 64.45 C ATOM 1291 C GLN A 81 0.511 11.906 8.737 1.00 42.24 C ATOM 1292 O GLN A 81 0.429 13.072 9.138 1.00 13.31 O ATOM 1293 CB GLN A 81 -1.579 10.683 8.048 1.00 41.01 C ATOM 1294 CG GLN A 81 -2.467 11.519 8.966 1.00 65.35 C ATOM 1295 CD GLN A 81 -3.675 10.750 9.476 1.00 44.44 C ATOM 1296 OE1 GLN A 81 -4.731 10.744 8.857 1.00 42.23 O ATOM 1297 NE2 GLN A 81 -3.529 10.094 10.613 1.00 12.43 N ATOM 0 H GLN A 81 0.086 9.578 6.604 1.00 3.24 H new ATOM 0 HA GLN A 81 -0.622 12.285 6.954 1.00 64.45 H new ATOM 0 HB2 GLN A 81 -2.167 10.358 7.190 1.00 41.01 H new ATOM 0 HB3 GLN A 81 -1.270 9.784 8.581 1.00 41.01 H new ATOM 0 HG2 GLN A 81 -1.879 11.867 9.815 1.00 65.35 H new ATOM 0 HG3 GLN A 81 -2.806 12.405 8.428 1.00 65.35 H new ATOM 0 HE21 GLN A 81 -2.636 10.119 11.105 1.00 12.43 H new ATOM 0 HE22 GLN A 81 -4.309 9.563 10.999 1.00 12.43 H new ATOM 1306 N ASP A 82 1.318 11.004 9.290 1.00 12.02 N ATOM 1307 CA ASP A 82 2.190 11.307 10.431 1.00 52.24 C ATOM 1308 C ASP A 82 3.161 12.449 10.087 1.00 51.40 C ATOM 1309 O ASP A 82 3.325 13.407 10.851 1.00 45.04 O ATOM 1310 CB ASP A 82 2.968 10.043 10.815 1.00 2.11 C ATOM 1311 CG ASP A 82 3.648 10.151 12.162 1.00 3.25 C ATOM 1312 OD1 ASP A 82 2.983 9.887 13.188 1.00 13.44 O ATOM 1313 OD2 ASP A 82 4.845 10.495 12.205 1.00 0.24 O ATOM 0 H ASP A 82 1.389 10.041 8.962 1.00 12.02 H new ATOM 0 HA ASP A 82 1.579 11.631 11.273 1.00 52.24 H new ATOM 0 HB2 ASP A 82 2.286 9.193 10.826 1.00 2.11 H new ATOM 0 HB3 ASP A 82 3.718 9.839 10.051 1.00 2.11 H new ATOM 1318 N LEU A 83 3.797 12.335 8.922 1.00 25.41 N ATOM 1319 CA LEU A 83 4.702 13.371 8.422 1.00 71.11 C ATOM 1320 C LEU A 83 3.940 14.664 8.098 1.00 12.44 C ATOM 1321 O LEU A 83 4.396 15.761 8.419 1.00 32.52 O ATOM 1322 CB LEU A 83 5.429 12.871 7.165 1.00 72.03 C ATOM 1323 CG LEU A 83 6.161 11.529 7.314 1.00 61.40 C ATOM 1324 CD1 LEU A 83 6.840 11.143 6.005 1.00 52.41 C ATOM 1325 CD2 LEU A 83 7.164 11.579 8.464 1.00 42.54 C ATOM 0 H LEU A 83 3.702 11.530 8.303 1.00 25.41 H new ATOM 0 HA LEU A 83 5.430 13.588 9.203 1.00 71.11 H new ATOM 0 HB2 LEU A 83 4.702 12.781 6.358 1.00 72.03 H new ATOM 0 HB3 LEU A 83 6.152 13.627 6.860 1.00 72.03 H new ATOM 0 HG LEU A 83 5.425 10.761 7.552 1.00 61.40 H new ATOM 0 HD11 LEU A 83 7.354 10.190 6.129 1.00 52.41 H new ATOM 0 HD12 LEU A 83 6.090 11.052 5.219 1.00 52.41 H new ATOM 0 HD13 LEU A 83 7.562 11.911 5.729 1.00 52.41 H new ATOM 0 HD21 LEU A 83 7.669 10.617 8.548 1.00 42.54 H new ATOM 0 HD22 LEU A 83 7.900 12.359 8.271 1.00 42.54 H new ATOM 0 HD23 LEU A 83 6.640 11.797 9.395 1.00 42.54 H new ATOM 1337 N LYS A 84 2.771 14.518 7.465 1.00 32.43 N ATOM 1338 CA LYS A 84 1.948 15.666 7.053 1.00 62.24 C ATOM 1339 C LYS A 84 1.573 16.556 8.252 1.00 22.33 C ATOM 1340 O LYS A 84 1.708 17.778 8.197 1.00 11.53 O ATOM 1341 CB LYS A 84 0.667 15.174 6.355 1.00 4.31 C ATOM 1342 CG LYS A 84 -0.158 16.284 5.702 1.00 31.20 C ATOM 1343 CD LYS A 84 0.577 16.907 4.516 1.00 33.54 C ATOM 1344 CE LYS A 84 -0.269 17.951 3.792 1.00 25.24 C ATOM 1345 NZ LYS A 84 -0.531 19.153 4.633 1.00 52.50 N ATOM 0 H LYS A 84 2.370 13.612 7.225 1.00 32.43 H new ATOM 0 HA LYS A 84 2.539 16.264 6.359 1.00 62.24 H new ATOM 0 HB2 LYS A 84 0.940 14.444 5.593 1.00 4.31 H new ATOM 0 HB3 LYS A 84 0.045 14.656 7.085 1.00 4.31 H new ATOM 0 HG2 LYS A 84 -1.113 15.879 5.367 1.00 31.20 H new ATOM 0 HG3 LYS A 84 -0.380 17.055 6.440 1.00 31.20 H new ATOM 0 HD2 LYS A 84 1.500 17.370 4.866 1.00 33.54 H new ATOM 0 HD3 LYS A 84 0.860 16.122 3.814 1.00 33.54 H new ATOM 0 HE2 LYS A 84 0.239 18.255 2.877 1.00 25.24 H new ATOM 0 HE3 LYS A 84 -1.218 17.504 3.496 1.00 25.24 H new ATOM 0 HZ1 LYS A 84 -1.080 19.847 4.086 1.00 52.50 H new ATOM 0 HZ2 LYS A 84 -1.069 18.875 5.478 1.00 52.50 H new ATOM 0 HZ3 LYS A 84 0.373 19.578 4.923 1.00 52.50 H new ATOM 1359 N ASN A 85 1.106 15.937 9.333 1.00 4.35 N ATOM 1360 CA ASN A 85 0.714 16.682 10.537 1.00 63.24 C ATOM 1361 C ASN A 85 1.923 17.345 11.218 1.00 45.25 C ATOM 1362 O ASN A 85 1.849 18.498 11.648 1.00 33.33 O ATOM 1363 CB ASN A 85 -0.004 15.759 11.529 1.00 25.12 C ATOM 1364 CG ASN A 85 -1.312 15.216 10.983 1.00 25.52 C ATOM 1365 OD1 ASN A 85 -1.955 15.837 10.140 1.00 63.52 O ATOM 1366 ND2 ASN A 85 -1.734 14.070 11.475 1.00 24.30 N ATOM 0 H ASN A 85 0.988 14.926 9.405 1.00 4.35 H new ATOM 0 HA ASN A 85 0.032 17.472 10.222 1.00 63.24 H new ATOM 0 HB2 ASN A 85 0.652 14.927 11.784 1.00 25.12 H new ATOM 0 HB3 ASN A 85 -0.199 16.306 12.452 1.00 25.12 H new ATOM 0 HD21 ASN A 85 -2.618 13.673 11.157 1.00 24.30 H new ATOM 0 HD22 ASN A 85 -1.177 13.579 12.174 1.00 24.30 H new ATOM 1373 N GLN A 86 3.033 16.619 11.307 1.00 13.41 N ATOM 1374 CA GLN A 86 4.241 17.127 11.975 1.00 12.12 C ATOM 1375 C GLN A 86 5.161 17.895 11.014 1.00 74.25 C ATOM 1376 O GLN A 86 6.239 18.339 11.403 1.00 42.13 O ATOM 1377 CB GLN A 86 5.005 15.963 12.607 1.00 61.20 C ATOM 1378 CG GLN A 86 4.193 15.196 13.641 1.00 53.54 C ATOM 1379 CD GLN A 86 4.931 13.985 14.174 1.00 71.30 C ATOM 1380 OE1 GLN A 86 5.636 14.056 15.172 1.00 53.12 O ATOM 1381 NE2 GLN A 86 4.787 12.871 13.496 1.00 1.03 N ATOM 0 H GLN A 86 3.128 15.677 10.927 1.00 13.41 H new ATOM 0 HA GLN A 86 3.920 17.828 12.745 1.00 12.12 H new ATOM 0 HB2 GLN A 86 5.320 15.276 11.822 1.00 61.20 H new ATOM 0 HB3 GLN A 86 5.910 16.346 13.078 1.00 61.20 H new ATOM 0 HG2 GLN A 86 3.945 15.860 14.469 1.00 53.54 H new ATOM 0 HG3 GLN A 86 3.251 14.877 13.195 1.00 53.54 H new ATOM 0 HE21 GLN A 86 4.190 12.851 12.669 1.00 1.03 H new ATOM 0 HE22 GLN A 86 5.272 12.025 13.796 1.00 1.03 H new ATOM 1390 N ASN A 87 4.740 18.030 9.754 1.00 54.23 N ATOM 1391 CA ASN A 87 5.500 18.780 8.739 1.00 10.40 C ATOM 1392 C ASN A 87 6.885 18.162 8.468 1.00 64.32 C ATOM 1393 O ASN A 87 7.769 18.823 7.914 1.00 40.50 O ATOM 1394 CB ASN A 87 5.655 20.247 9.164 1.00 74.33 C ATOM 1395 CG ASN A 87 4.318 20.944 9.312 1.00 72.12 C ATOM 1396 OD1 ASN A 87 3.817 21.556 8.379 1.00 71.10 O ATOM 1397 ND2 ASN A 87 3.727 20.856 10.484 1.00 33.51 N ATOM 0 H ASN A 87 3.870 17.627 9.406 1.00 54.23 H new ATOM 0 HA ASN A 87 4.931 18.727 7.811 1.00 10.40 H new ATOM 0 HB2 ASN A 87 6.194 20.294 10.110 1.00 74.33 H new ATOM 0 HB3 ASN A 87 6.259 20.775 8.426 1.00 74.33 H new ATOM 0 HD21 ASN A 87 2.824 21.306 10.635 1.00 33.51 H new ATOM 0 HD22 ASN A 87 4.172 20.338 11.242 1.00 33.51 H new ATOM 1404 N LYS A 88 7.063 16.889 8.836 1.00 3.32 N ATOM 1405 CA LYS A 88 8.337 16.192 8.624 1.00 24.32 C ATOM 1406 C LYS A 88 8.583 15.931 7.131 1.00 31.50 C ATOM 1407 O LYS A 88 8.209 14.884 6.600 1.00 4.54 O ATOM 1408 CB LYS A 88 8.369 14.862 9.394 1.00 13.13 C ATOM 1409 CG LYS A 88 8.287 15.007 10.912 1.00 25.33 C ATOM 1410 CD LYS A 88 8.320 13.644 11.604 1.00 62.10 C ATOM 1411 CE LYS A 88 8.228 13.763 13.122 1.00 61.24 C ATOM 1412 NZ LYS A 88 9.407 14.450 13.709 1.00 11.42 N ATOM 0 H LYS A 88 6.343 16.321 9.281 1.00 3.32 H new ATOM 0 HA LYS A 88 9.130 16.838 9.001 1.00 24.32 H new ATOM 0 HB2 LYS A 88 7.540 14.241 9.056 1.00 13.13 H new ATOM 0 HB3 LYS A 88 9.288 14.332 9.141 1.00 13.13 H new ATOM 0 HG2 LYS A 88 9.118 15.617 11.266 1.00 25.33 H new ATOM 0 HG3 LYS A 88 7.370 15.531 11.180 1.00 25.33 H new ATOM 0 HD2 LYS A 88 7.494 13.034 11.239 1.00 62.10 H new ATOM 0 HD3 LYS A 88 9.241 13.126 11.338 1.00 62.10 H new ATOM 0 HE2 LYS A 88 7.323 14.310 13.387 1.00 61.24 H new ATOM 0 HE3 LYS A 88 8.137 12.768 13.557 1.00 61.24 H new ATOM 0 HZ1 LYS A 88 9.347 14.416 14.747 1.00 11.42 H new ATOM 0 HZ2 LYS A 88 10.277 13.974 13.397 1.00 11.42 H new ATOM 0 HZ3 LYS A 88 9.423 15.441 13.395 1.00 11.42 H new ATOM 1426 N GLN A 89 9.199 16.895 6.458 1.00 23.51 N ATOM 1427 CA GLN A 89 9.500 16.775 5.025 1.00 11.43 C ATOM 1428 C GLN A 89 10.758 15.918 4.795 1.00 42.32 C ATOM 1429 O GLN A 89 11.752 16.381 4.225 1.00 31.13 O ATOM 1430 CB GLN A 89 9.666 18.177 4.412 1.00 75.41 C ATOM 1431 CG GLN A 89 8.448 19.080 4.617 1.00 24.25 C ATOM 1432 CD GLN A 89 8.666 20.497 4.115 1.00 41.12 C ATOM 1433 OE1 GLN A 89 9.149 21.359 4.844 1.00 14.50 O ATOM 1434 NE2 GLN A 89 8.295 20.759 2.878 1.00 42.14 N ATOM 0 H GLN A 89 9.503 17.774 6.877 1.00 23.51 H new ATOM 0 HA GLN A 89 8.669 16.272 4.531 1.00 11.43 H new ATOM 0 HB2 GLN A 89 10.541 18.656 4.851 1.00 75.41 H new ATOM 0 HB3 GLN A 89 9.859 18.077 3.344 1.00 75.41 H new ATOM 0 HG2 GLN A 89 7.591 18.646 4.102 1.00 24.25 H new ATOM 0 HG3 GLN A 89 8.200 19.111 5.678 1.00 24.25 H new ATOM 0 HE21 GLN A 89 7.897 20.021 2.298 1.00 42.14 H new ATOM 0 HE22 GLN A 89 8.406 21.700 2.501 1.00 42.14 H new ATOM 1443 N ILE A 90 10.695 14.659 5.236 1.00 31.53 N ATOM 1444 CA ILE A 90 11.843 13.747 5.175 1.00 72.24 C ATOM 1445 C ILE A 90 12.072 13.193 3.759 1.00 14.23 C ATOM 1446 O ILE A 90 11.327 13.498 2.824 1.00 64.13 O ATOM 1447 CB ILE A 90 11.679 12.563 6.161 1.00 74.34 C ATOM 1448 CG1 ILE A 90 10.502 11.664 5.746 1.00 34.33 C ATOM 1449 CG2 ILE A 90 11.484 13.084 7.587 1.00 62.10 C ATOM 1450 CD1 ILE A 90 10.346 10.428 6.606 1.00 61.01 C ATOM 0 H ILE A 90 9.856 14.245 5.642 1.00 31.53 H new ATOM 0 HA ILE A 90 12.713 14.339 5.461 1.00 72.24 H new ATOM 0 HB ILE A 90 12.588 11.962 6.132 1.00 74.34 H new ATOM 0 HG12 ILE A 90 9.580 12.244 5.789 1.00 34.33 H new ATOM 0 HG13 ILE A 90 10.638 11.359 4.708 1.00 34.33 H new ATOM 0 HG21 ILE A 90 11.370 12.242 8.270 1.00 62.10 H new ATOM 0 HG22 ILE A 90 12.352 13.674 7.881 1.00 62.10 H new ATOM 0 HG23 ILE A 90 10.591 13.707 7.628 1.00 62.10 H new ATOM 0 HD11 ILE A 90 9.496 9.844 6.253 1.00 61.01 H new ATOM 0 HD12 ILE A 90 11.252 9.825 6.544 1.00 61.01 H new ATOM 0 HD13 ILE A 90 10.178 10.724 7.641 1.00 61.01 H new ATOM 1462 N SER A 91 13.109 12.372 3.614 1.00 60.24 N ATOM 1463 CA SER A 91 13.490 11.812 2.308 1.00 1.14 C ATOM 1464 C SER A 91 12.961 10.382 2.110 1.00 23.40 C ATOM 1465 O SER A 91 12.550 9.711 3.062 1.00 74.32 O ATOM 1466 CB SER A 91 15.018 11.807 2.156 1.00 13.42 C ATOM 1467 OG SER A 91 15.629 10.937 3.098 1.00 31.53 O ATOM 0 H SER A 91 13.707 12.075 4.385 1.00 60.24 H new ATOM 0 HA SER A 91 13.038 12.449 1.547 1.00 1.14 H new ATOM 0 HB2 SER A 91 15.284 11.496 1.146 1.00 13.42 H new ATOM 0 HB3 SER A 91 15.402 12.818 2.290 1.00 13.42 H new ATOM 0 HG SER A 91 16.601 10.953 2.976 1.00 31.53 H new ATOM 1473 N MET A 92 12.986 9.926 0.856 1.00 25.35 N ATOM 1474 CA MET A 92 12.574 8.564 0.498 1.00 33.05 C ATOM 1475 C MET A 92 13.360 7.496 1.282 1.00 34.55 C ATOM 1476 O MET A 92 12.835 6.420 1.582 1.00 54.20 O ATOM 1477 CB MET A 92 12.770 8.352 -1.012 1.00 71.01 C ATOM 1478 CG MET A 92 12.488 6.932 -1.487 1.00 72.25 C ATOM 1479 SD MET A 92 12.781 6.715 -3.254 1.00 13.34 S ATOM 1480 CE MET A 92 12.523 4.950 -3.422 1.00 22.31 C ATOM 0 H MET A 92 13.291 10.487 0.061 1.00 25.35 H new ATOM 0 HA MET A 92 11.522 8.453 0.761 1.00 33.05 H new ATOM 0 HB2 MET A 92 12.118 9.039 -1.551 1.00 71.01 H new ATOM 0 HB3 MET A 92 13.795 8.613 -1.274 1.00 71.01 H new ATOM 0 HG2 MET A 92 13.116 6.236 -0.931 1.00 72.25 H new ATOM 0 HG3 MET A 92 11.453 6.677 -1.261 1.00 72.25 H new ATOM 0 HE1 MET A 92 13.167 4.562 -4.211 1.00 22.31 H new ATOM 0 HE2 MET A 92 12.764 4.456 -2.481 1.00 22.31 H new ATOM 0 HE3 MET A 92 11.481 4.757 -3.677 1.00 22.31 H new ATOM 1490 N ALA A 93 14.613 7.809 1.620 1.00 35.24 N ATOM 1491 CA ALA A 93 15.495 6.866 2.318 1.00 33.15 C ATOM 1492 C ALA A 93 14.870 6.326 3.613 1.00 21.02 C ATOM 1493 O ALA A 93 14.815 5.114 3.825 1.00 61.51 O ATOM 1494 CB ALA A 93 16.835 7.527 2.618 1.00 44.51 C ATOM 0 H ALA A 93 15.043 8.712 1.421 1.00 35.24 H new ATOM 0 HA ALA A 93 15.646 6.014 1.655 1.00 33.15 H new ATOM 0 HB1 ALA A 93 17.482 6.819 3.136 1.00 44.51 H new ATOM 0 HB2 ALA A 93 17.307 7.834 1.684 1.00 44.51 H new ATOM 0 HB3 ALA A 93 16.676 8.402 3.249 1.00 44.51 H new ATOM 1500 N GLU A 94 14.390 7.225 4.472 1.00 15.01 N ATOM 1501 CA GLU A 94 13.799 6.820 5.755 1.00 14.41 C ATOM 1502 C GLU A 94 12.517 5.993 5.556 1.00 65.33 C ATOM 1503 O GLU A 94 12.239 5.069 6.322 1.00 34.21 O ATOM 1504 CB GLU A 94 13.521 8.048 6.630 1.00 72.45 C ATOM 1505 CG GLU A 94 14.786 8.826 6.992 1.00 51.51 C ATOM 1506 CD GLU A 94 14.545 9.926 8.013 1.00 51.45 C ATOM 1507 OE1 GLU A 94 14.591 9.637 9.229 1.00 23.34 O ATOM 1508 OE2 GLU A 94 14.337 11.085 7.610 1.00 52.40 O ATOM 0 H GLU A 94 14.397 8.232 4.308 1.00 15.01 H new ATOM 0 HA GLU A 94 14.522 6.184 6.265 1.00 14.41 H new ATOM 0 HB2 GLU A 94 12.831 8.711 6.107 1.00 72.45 H new ATOM 0 HB3 GLU A 94 13.023 7.729 7.546 1.00 72.45 H new ATOM 0 HG2 GLU A 94 15.530 8.133 7.384 1.00 51.51 H new ATOM 0 HG3 GLU A 94 15.205 9.266 6.087 1.00 51.51 H new ATOM 1515 N ALA A 95 11.747 6.321 4.518 1.00 62.35 N ATOM 1516 CA ALA A 95 10.572 5.522 4.151 1.00 63.12 C ATOM 1517 C ALA A 95 10.984 4.084 3.800 1.00 64.44 C ATOM 1518 O ALA A 95 10.377 3.116 4.259 1.00 51.53 O ATOM 1519 CB ALA A 95 9.836 6.171 2.981 1.00 70.21 C ATOM 0 H ALA A 95 11.912 7.129 3.918 1.00 62.35 H new ATOM 0 HA ALA A 95 9.898 5.483 5.007 1.00 63.12 H new ATOM 0 HB1 ALA A 95 8.966 5.568 2.719 1.00 70.21 H new ATOM 0 HB2 ALA A 95 9.511 7.172 3.266 1.00 70.21 H new ATOM 0 HB3 ALA A 95 10.504 6.237 2.122 1.00 70.21 H new ATOM 1525 N GLN A 96 12.041 3.960 2.995 1.00 34.11 N ATOM 1526 CA GLN A 96 12.615 2.653 2.645 1.00 65.31 C ATOM 1527 C GLN A 96 13.304 1.998 3.853 1.00 74.12 C ATOM 1528 O GLN A 96 13.526 0.785 3.873 1.00 30.21 O ATOM 1529 CB GLN A 96 13.610 2.812 1.481 1.00 60.12 C ATOM 1530 CG GLN A 96 12.942 3.130 0.148 1.00 62.05 C ATOM 1531 CD GLN A 96 12.114 1.966 -0.372 1.00 14.23 C ATOM 1532 OE1 GLN A 96 12.597 1.133 -1.130 1.00 34.34 O ATOM 1533 NE2 GLN A 96 10.870 1.883 0.047 1.00 52.24 N ATOM 0 H GLN A 96 12.522 4.753 2.569 1.00 34.11 H new ATOM 0 HA GLN A 96 11.801 1.998 2.335 1.00 65.31 H new ATOM 0 HB2 GLN A 96 14.316 3.606 1.723 1.00 60.12 H new ATOM 0 HB3 GLN A 96 14.187 1.893 1.379 1.00 60.12 H new ATOM 0 HG2 GLN A 96 12.303 4.005 0.264 1.00 62.05 H new ATOM 0 HG3 GLN A 96 13.705 3.387 -0.586 1.00 62.05 H new ATOM 0 HE21 GLN A 96 10.496 2.592 0.678 1.00 52.24 H new ATOM 0 HE22 GLN A 96 10.279 1.110 -0.259 1.00 52.24 H new ATOM 1542 N GLY A 97 13.645 2.810 4.852 1.00 31.33 N ATOM 1543 CA GLY A 97 14.212 2.290 6.089 1.00 23.54 C ATOM 1544 C GLY A 97 13.201 1.502 6.919 1.00 71.24 C ATOM 1545 O GLY A 97 13.513 0.429 7.441 1.00 75.30 O ATOM 0 H GLY A 97 13.538 3.824 4.827 1.00 31.33 H new ATOM 0 HA2 GLY A 97 15.060 1.648 5.852 1.00 23.54 H new ATOM 0 HA3 GLY A 97 14.596 3.119 6.684 1.00 23.54 H new ATOM 1549 N LYS A 98 11.986 2.036 7.048 1.00 5.53 N ATOM 1550 CA LYS A 98 10.917 1.359 7.796 1.00 45.42 C ATOM 1551 C LYS A 98 10.224 0.283 6.942 1.00 41.32 C ATOM 1552 O LYS A 98 9.767 -0.740 7.458 1.00 22.33 O ATOM 1553 CB LYS A 98 9.874 2.371 8.284 1.00 21.23 C ATOM 1554 CG LYS A 98 8.863 1.776 9.263 1.00 2.13 C ATOM 1555 CD LYS A 98 7.789 2.780 9.654 1.00 12.52 C ATOM 1556 CE LYS A 98 6.863 2.231 10.738 1.00 42.23 C ATOM 1557 NZ LYS A 98 6.244 0.931 10.353 1.00 54.42 N ATOM 0 H LYS A 98 11.714 2.933 6.646 1.00 5.53 H new ATOM 0 HA LYS A 98 11.382 0.874 8.654 1.00 45.42 H new ATOM 0 HB2 LYS A 98 10.385 3.206 8.764 1.00 21.23 H new ATOM 0 HB3 LYS A 98 9.341 2.776 7.424 1.00 21.23 H new ATOM 0 HG2 LYS A 98 8.394 0.901 8.813 1.00 2.13 H new ATOM 0 HG3 LYS A 98 9.383 1.434 10.158 1.00 2.13 H new ATOM 0 HD2 LYS A 98 8.261 3.696 10.009 1.00 12.52 H new ATOM 0 HD3 LYS A 98 7.202 3.044 8.775 1.00 12.52 H new ATOM 0 HE2 LYS A 98 7.427 2.102 11.662 1.00 42.23 H new ATOM 0 HE3 LYS A 98 6.077 2.958 10.943 1.00 42.23 H new ATOM 0 HZ1 LYS A 98 5.342 0.813 10.857 1.00 54.42 H new ATOM 0 HZ2 LYS A 98 6.071 0.919 9.328 1.00 54.42 H new ATOM 0 HZ3 LYS A 98 6.886 0.153 10.605 1.00 54.42 H new ATOM 1571 N PHE A 99 10.149 0.520 5.630 1.00 12.54 N ATOM 1572 CA PHE A 99 9.457 -0.396 4.710 1.00 23.21 C ATOM 1573 C PHE A 99 10.419 -1.001 3.666 1.00 51.33 C ATOM 1574 O PHE A 99 10.385 -0.629 2.494 1.00 23.12 O ATOM 1575 CB PHE A 99 8.319 0.344 3.991 1.00 52.33 C ATOM 1576 CG PHE A 99 7.353 1.041 4.917 1.00 70.11 C ATOM 1577 CD1 PHE A 99 6.410 0.318 5.631 1.00 24.41 C ATOM 1578 CD2 PHE A 99 7.392 2.421 5.076 1.00 44.02 C ATOM 1579 CE1 PHE A 99 5.527 0.954 6.480 1.00 21.54 C ATOM 1580 CE2 PHE A 99 6.511 3.061 5.926 1.00 15.54 C ATOM 1581 CZ PHE A 99 5.577 2.326 6.629 1.00 25.44 C ATOM 0 H PHE A 99 10.558 1.338 5.178 1.00 12.54 H new ATOM 0 HA PHE A 99 9.052 -1.214 5.306 1.00 23.21 H new ATOM 0 HB2 PHE A 99 8.751 1.080 3.313 1.00 52.33 H new ATOM 0 HB3 PHE A 99 7.767 -0.369 3.378 1.00 52.33 H new ATOM 0 HD1 PHE A 99 6.366 -0.756 5.522 1.00 24.41 H new ATOM 0 HD2 PHE A 99 8.120 3.000 4.528 1.00 44.02 H new ATOM 0 HE1 PHE A 99 4.796 0.378 7.028 1.00 21.54 H new ATOM 0 HE2 PHE A 99 6.553 4.134 6.040 1.00 15.54 H new ATOM 0 HZ PHE A 99 4.887 2.823 7.294 1.00 25.44 H new ATOM 1591 N PRO A 100 11.273 -1.968 4.066 1.00 74.12 N ATOM 1592 CA PRO A 100 12.277 -2.560 3.158 1.00 52.05 C ATOM 1593 C PRO A 100 11.653 -3.443 2.061 1.00 64.53 C ATOM 1594 O PRO A 100 12.262 -3.677 1.014 1.00 54.11 O ATOM 1595 CB PRO A 100 13.149 -3.400 4.105 1.00 65.33 C ATOM 1596 CG PRO A 100 12.241 -3.754 5.235 1.00 53.24 C ATOM 1597 CD PRO A 100 11.332 -2.565 5.417 1.00 41.54 C ATOM 0 HA PRO A 100 12.826 -1.796 2.607 1.00 52.05 H new ATOM 0 HB2 PRO A 100 13.529 -4.292 3.607 1.00 65.33 H new ATOM 0 HB3 PRO A 100 14.014 -2.836 4.453 1.00 65.33 H new ATOM 0 HG2 PRO A 100 11.668 -4.654 5.010 1.00 53.24 H new ATOM 0 HG3 PRO A 100 12.808 -3.956 6.144 1.00 53.24 H new ATOM 0 HD2 PRO A 100 10.344 -2.864 5.767 1.00 41.54 H new ATOM 0 HD3 PRO A 100 11.731 -1.863 6.149 1.00 41.54 H new ATOM 1605 N GLU A 101 10.436 -3.934 2.307 1.00 60.55 N ATOM 1606 CA GLU A 101 9.743 -4.810 1.350 1.00 70.44 C ATOM 1607 C GLU A 101 8.661 -4.058 0.555 1.00 54.24 C ATOM 1608 O GLU A 101 7.968 -4.652 -0.274 1.00 35.10 O ATOM 1609 CB GLU A 101 9.115 -6.007 2.081 1.00 2.11 C ATOM 1610 CG GLU A 101 10.124 -6.879 2.825 1.00 44.24 C ATOM 1611 CD GLU A 101 9.502 -8.144 3.401 1.00 5.31 C ATOM 1612 OE1 GLU A 101 8.951 -8.088 4.521 1.00 41.12 O ATOM 1613 OE2 GLU A 101 9.565 -9.198 2.735 1.00 11.23 O ATOM 0 H GLU A 101 9.908 -3.742 3.158 1.00 60.55 H new ATOM 0 HA GLU A 101 10.489 -5.166 0.640 1.00 70.44 H new ATOM 0 HB2 GLU A 101 8.375 -5.638 2.792 1.00 2.11 H new ATOM 0 HB3 GLU A 101 8.582 -6.623 1.357 1.00 2.11 H new ATOM 0 HG2 GLU A 101 10.930 -7.154 2.145 1.00 44.24 H new ATOM 0 HG3 GLU A 101 10.571 -6.300 3.633 1.00 44.24 H new ATOM 1620 N VAL A 102 8.522 -2.754 0.801 1.00 73.10 N ATOM 1621 CA VAL A 102 7.532 -1.933 0.091 1.00 45.22 C ATOM 1622 C VAL A 102 8.210 -1.070 -0.985 1.00 15.52 C ATOM 1623 O VAL A 102 9.093 -0.263 -0.688 1.00 54.15 O ATOM 1624 CB VAL A 102 6.742 -1.026 1.069 1.00 20.15 C ATOM 1625 CG1 VAL A 102 5.738 -0.153 0.321 1.00 53.33 C ATOM 1626 CG2 VAL A 102 6.041 -1.872 2.134 1.00 60.42 C ATOM 0 H VAL A 102 9.080 -2.242 1.484 1.00 73.10 H new ATOM 0 HA VAL A 102 6.830 -2.615 -0.389 1.00 45.22 H new ATOM 0 HB VAL A 102 7.451 -0.364 1.566 1.00 20.15 H new ATOM 0 HG11 VAL A 102 5.199 0.472 1.032 1.00 53.33 H new ATOM 0 HG12 VAL A 102 6.266 0.481 -0.391 1.00 53.33 H new ATOM 0 HG13 VAL A 102 5.031 -0.788 -0.213 1.00 53.33 H new ATOM 0 HG21 VAL A 102 5.491 -1.220 2.813 1.00 60.42 H new ATOM 0 HG22 VAL A 102 5.348 -2.562 1.653 1.00 60.42 H new ATOM 0 HG23 VAL A 102 6.784 -2.437 2.697 1.00 60.42 H new ATOM 1636 N VAL A 103 7.789 -1.242 -2.233 1.00 33.45 N ATOM 1637 CA VAL A 103 8.436 -0.576 -3.365 1.00 53.12 C ATOM 1638 C VAL A 103 7.831 0.810 -3.641 1.00 42.24 C ATOM 1639 O VAL A 103 6.746 0.927 -4.206 1.00 20.11 O ATOM 1640 CB VAL A 103 8.339 -1.441 -4.647 1.00 72.13 C ATOM 1641 CG1 VAL A 103 9.051 -0.772 -5.824 1.00 41.54 C ATOM 1642 CG2 VAL A 103 8.896 -2.840 -4.391 1.00 4.25 C ATOM 0 H VAL A 103 7.002 -1.837 -2.490 1.00 33.45 H new ATOM 0 HA VAL A 103 9.483 -0.446 -3.092 1.00 53.12 H new ATOM 0 HB VAL A 103 7.286 -1.535 -4.913 1.00 72.13 H new ATOM 0 HG11 VAL A 103 8.965 -1.404 -6.708 1.00 41.54 H new ATOM 0 HG12 VAL A 103 8.592 0.196 -6.024 1.00 41.54 H new ATOM 0 HG13 VAL A 103 10.104 -0.631 -5.580 1.00 41.54 H new ATOM 0 HG21 VAL A 103 8.820 -3.434 -5.302 1.00 4.25 H new ATOM 0 HG22 VAL A 103 9.942 -2.766 -4.092 1.00 4.25 H new ATOM 0 HG23 VAL A 103 8.324 -3.319 -3.596 1.00 4.25 H new ATOM 1652 N PHE A 104 8.541 1.858 -3.237 1.00 10.13 N ATOM 1653 CA PHE A 104 8.117 3.235 -3.517 1.00 44.12 C ATOM 1654 C PHE A 104 8.579 3.679 -4.916 1.00 63.44 C ATOM 1655 O PHE A 104 9.582 3.185 -5.437 1.00 14.24 O ATOM 1656 CB PHE A 104 8.664 4.201 -2.452 1.00 64.05 C ATOM 1657 CG PHE A 104 7.980 4.091 -1.108 1.00 51.43 C ATOM 1658 CD1 PHE A 104 8.130 2.957 -0.324 1.00 75.32 C ATOM 1659 CD2 PHE A 104 7.192 5.130 -0.626 1.00 0.15 C ATOM 1660 CE1 PHE A 104 7.513 2.859 0.908 1.00 52.33 C ATOM 1661 CE2 PHE A 104 6.571 5.035 0.606 1.00 62.21 C ATOM 1662 CZ PHE A 104 6.732 3.898 1.374 1.00 75.53 C ATOM 0 H PHE A 104 9.414 1.785 -2.714 1.00 10.13 H new ATOM 0 HA PHE A 104 7.028 3.260 -3.487 1.00 44.12 H new ATOM 0 HB2 PHE A 104 9.730 4.015 -2.321 1.00 64.05 H new ATOM 0 HB3 PHE A 104 8.561 5.223 -2.817 1.00 64.05 H new ATOM 0 HD1 PHE A 104 8.738 2.139 -0.682 1.00 75.32 H new ATOM 0 HD2 PHE A 104 7.063 6.022 -1.221 1.00 0.15 H new ATOM 0 HE1 PHE A 104 7.641 1.970 1.507 1.00 52.33 H new ATOM 0 HE2 PHE A 104 5.960 5.849 0.968 1.00 62.21 H new ATOM 0 HZ PHE A 104 6.248 3.822 2.337 1.00 75.53 H new ATOM 1672 N SER A 105 7.838 4.606 -5.520 1.00 61.43 N ATOM 1673 CA SER A 105 8.176 5.129 -6.855 1.00 10.01 C ATOM 1674 C SER A 105 7.922 6.640 -6.945 1.00 23.54 C ATOM 1675 O SER A 105 7.155 7.200 -6.158 1.00 42.54 O ATOM 1676 CB SER A 105 7.369 4.401 -7.944 1.00 52.13 C ATOM 1677 OG SER A 105 7.657 3.008 -7.963 1.00 4.10 O ATOM 0 H SER A 105 6.998 5.015 -5.111 1.00 61.43 H new ATOM 0 HA SER A 105 9.239 4.948 -7.017 1.00 10.01 H new ATOM 0 HB2 SER A 105 6.303 4.551 -7.770 1.00 52.13 H new ATOM 0 HB3 SER A 105 7.597 4.834 -8.918 1.00 52.13 H new ATOM 0 HG SER A 105 7.128 2.574 -8.664 1.00 4.10 H new