USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 673 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 8 SER OG : rot -150:sc= -0.154 USER MOD Set 1.2: A 96 HIS : no HD1:sc= -0.729 K(o=-1.8,f=-2.5) USER MOD Set 1.3: A 97 HIS : no HE2:sc= -0.922 X(o=-1.8,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 110:sc= -1.15 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 33 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.031) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0222) USER MOD Single : A 37 LYS NZ :NH3+ -115:sc= 0.406 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -3.45! C(o=-3.5!,f=-7.7!) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= -0.0646 (180deg=-0.8) USER MOD Single : A 48 GLN : amide:sc= -3.15 K(o=-3.2,f=-8.7!) USER MOD Single : A 49 GLN : amide:sc= -1.93 K(o=-1.9,f=-5.5!) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0636) USER MOD Single : A 57 GLN : amide:sc= -1.48 K(o=-1.5,f=-4!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0887 USER MOD Single : A 68 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.1) USER MOD Single : A 70 GLN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -130:sc= -1.33 (180deg=-2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -2.7 X(o=-2.7,f=-2.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.230 24.359 4.468 1.00 15.24 N ATOM 2 CA GLY A 1 -15.822 23.564 3.325 1.00 11.14 C ATOM 3 C GLY A 1 -15.793 24.367 2.040 1.00 71.50 C ATOM 4 O GLY A 1 -15.282 25.486 2.012 1.00 65.32 O ATOM 0 H1 GLY A 1 -16.234 23.764 5.321 1.00 15.24 H new ATOM 0 H2 GLY A 1 -15.564 25.147 4.598 1.00 15.24 H new ATOM 0 H3 GLY A 1 -17.185 24.736 4.305 1.00 15.24 H new ATOM 0 HA2 GLY A 1 -14.832 23.147 3.511 1.00 11.14 H new ATOM 0 HA3 GLY A 1 -16.506 22.723 3.209 1.00 11.14 H new ATOM 8 N SER A 2 -16.341 23.795 0.973 1.00 53.13 N ATOM 9 CA SER A 2 -16.370 24.463 -0.323 1.00 54.13 C ATOM 10 C SER A 2 -14.957 24.763 -0.811 1.00 24.55 C ATOM 11 O SER A 2 -14.715 25.783 -1.458 1.00 62.10 O ATOM 12 CB SER A 2 -17.178 25.759 -0.233 1.00 51.33 C ATOM 13 OG SER A 2 -18.502 25.505 0.204 1.00 32.45 O ATOM 0 H SER A 2 -16.771 22.870 0.980 1.00 53.13 H new ATOM 0 HA SER A 2 -16.848 23.794 -1.039 1.00 54.13 H new ATOM 0 HB2 SER A 2 -16.690 26.448 0.456 1.00 51.33 H new ATOM 0 HB3 SER A 2 -17.201 26.246 -1.208 1.00 51.33 H new ATOM 0 HG SER A 2 -18.997 26.349 0.255 1.00 32.45 H new ATOM 18 N LEU A 3 -14.027 23.869 -0.497 1.00 45.54 N ATOM 19 CA LEU A 3 -12.635 24.037 -0.904 1.00 13.51 C ATOM 20 C LEU A 3 -12.118 22.785 -1.606 1.00 15.50 C ATOM 21 O LEU A 3 -12.556 21.671 -1.314 1.00 31.11 O ATOM 22 CB LEU A 3 -11.763 24.351 0.312 1.00 42.34 C ATOM 23 CG LEU A 3 -11.482 25.830 0.572 1.00 71.53 C ATOM 24 CD1 LEU A 3 -11.225 26.073 2.051 1.00 20.40 C ATOM 25 CD2 LEU A 3 -10.300 26.304 -0.261 1.00 61.24 C ATOM 0 H LEU A 3 -14.210 23.020 0.038 1.00 45.54 H new ATOM 0 HA LEU A 3 -12.585 24.870 -1.605 1.00 13.51 H new ATOM 0 HB2 LEU A 3 -12.243 23.932 1.196 1.00 42.34 H new ATOM 0 HB3 LEU A 3 -10.810 23.836 0.193 1.00 42.34 H new ATOM 0 HG LEU A 3 -12.361 26.403 0.278 1.00 71.53 H new ATOM 0 HD11 LEU A 3 -11.027 27.132 2.217 1.00 20.40 H new ATOM 0 HD12 LEU A 3 -12.101 25.773 2.627 1.00 20.40 H new ATOM 0 HD13 LEU A 3 -10.363 25.488 2.371 1.00 20.40 H new ATOM 0 HD21 LEU A 3 -10.115 27.360 -0.062 1.00 61.24 H new ATOM 0 HD22 LEU A 3 -9.415 25.725 0.001 1.00 61.24 H new ATOM 0 HD23 LEU A 3 -10.523 26.167 -1.319 1.00 61.24 H new ATOM 36 N VAL A 4 -11.183 22.975 -2.531 1.00 13.12 N ATOM 37 CA VAL A 4 -10.603 21.861 -3.272 1.00 14.23 C ATOM 38 C VAL A 4 -9.097 21.779 -3.053 1.00 41.00 C ATOM 39 O VAL A 4 -8.379 22.776 -3.130 1.00 63.23 O ATOM 40 CB VAL A 4 -10.886 21.984 -4.781 1.00 4.04 C ATOM 41 CG1 VAL A 4 -10.285 20.807 -5.534 1.00 42.41 C ATOM 42 CG2 VAL A 4 -12.382 22.083 -5.038 1.00 71.43 C ATOM 0 H VAL A 4 -10.811 23.890 -2.785 1.00 13.12 H new ATOM 0 HA VAL A 4 -11.071 20.952 -2.895 1.00 14.23 H new ATOM 0 HB VAL A 4 -10.417 22.898 -5.147 1.00 4.04 H new ATOM 0 HG11 VAL A 4 -10.495 20.911 -6.599 1.00 42.41 H new ATOM 0 HG12 VAL A 4 -9.207 20.787 -5.377 1.00 42.41 H new ATOM 0 HG13 VAL A 4 -10.722 19.879 -5.167 1.00 42.41 H new ATOM 0 HG21 VAL A 4 -12.562 22.169 -6.110 1.00 71.43 H new ATOM 0 HG22 VAL A 4 -12.876 21.189 -4.658 1.00 71.43 H new ATOM 0 HG23 VAL A 4 -12.781 22.962 -4.531 1.00 71.43 H new ATOM 52 N PRO A 5 -8.605 20.563 -2.773 1.00 64.42 N ATOM 53 CA PRO A 5 -7.178 20.322 -2.537 1.00 12.44 C ATOM 54 C PRO A 5 -6.347 20.473 -3.807 1.00 32.24 C ATOM 55 O PRO A 5 -6.877 20.792 -4.872 1.00 45.42 O ATOM 56 CB PRO A 5 -7.141 18.873 -2.043 1.00 24.21 C ATOM 57 CG PRO A 5 -8.363 18.245 -2.618 1.00 30.42 C ATOM 58 CD PRO A 5 -9.403 19.331 -2.665 1.00 53.44 C ATOM 0 HA PRO A 5 -6.754 21.038 -1.833 1.00 12.44 H new ATOM 0 HB2 PRO A 5 -6.238 18.363 -2.379 1.00 24.21 H new ATOM 0 HB3 PRO A 5 -7.147 18.826 -0.954 1.00 24.21 H new ATOM 0 HG2 PRO A 5 -8.167 17.849 -3.614 1.00 30.42 H new ATOM 0 HG3 PRO A 5 -8.699 17.409 -2.004 1.00 30.42 H new ATOM 0 HD2 PRO A 5 -10.072 19.210 -3.517 1.00 53.44 H new ATOM 0 HD3 PRO A 5 -10.024 19.332 -1.769 1.00 53.44 H new ATOM 63 N ARG A 6 -5.044 20.244 -3.686 1.00 4.22 N ATOM 64 CA ARG A 6 -4.140 20.357 -4.825 1.00 12.11 C ATOM 65 C ARG A 6 -3.173 19.176 -4.870 1.00 33.23 C ATOM 66 O ARG A 6 -3.250 18.266 -4.046 1.00 14.35 O ATOM 67 CB ARG A 6 -3.356 21.668 -4.754 1.00 20.53 C ATOM 68 CG ARG A 6 -4.240 22.903 -4.683 1.00 12.41 C ATOM 69 CD ARG A 6 -4.600 23.411 -6.070 1.00 10.31 C ATOM 70 NE ARG A 6 -5.827 22.801 -6.576 1.00 20.43 N ATOM 71 CZ ARG A 6 -6.366 23.102 -7.752 1.00 22.23 C ATOM 72 NH1 ARG A 6 -5.789 23.998 -8.541 1.00 34.01 N ATOM 73 NH2 ARG A 6 -7.485 22.505 -8.142 1.00 13.23 N ATOM 0 H ARG A 6 -4.590 19.979 -2.812 1.00 4.22 H new ATOM 0 HA ARG A 6 -4.740 20.350 -5.735 1.00 12.11 H new ATOM 0 HB2 ARG A 6 -2.706 21.646 -3.879 1.00 20.53 H new ATOM 0 HB3 ARG A 6 -2.710 21.743 -5.629 1.00 20.53 H new ATOM 0 HG2 ARG A 6 -5.151 22.668 -4.132 1.00 12.41 H new ATOM 0 HG3 ARG A 6 -3.726 23.688 -4.129 1.00 12.41 H new ATOM 0 HD2 ARG A 6 -4.720 24.494 -6.039 1.00 10.31 H new ATOM 0 HD3 ARG A 6 -3.781 23.200 -6.757 1.00 10.31 H new ATOM 0 HE ARG A 6 -6.295 22.106 -5.995 1.00 20.43 H new ATOM 0 HH11 ARG A 6 -4.928 24.459 -8.246 1.00 34.01 H new ATOM 0 HH12 ARG A 6 -6.206 24.227 -9.443 1.00 34.01 H new ATOM 0 HH21 ARG A 6 -7.932 21.815 -7.539 1.00 13.23 H new ATOM 0 HH22 ARG A 6 -7.898 22.737 -9.045 1.00 13.23 H new ATOM 84 N GLY A 7 -2.264 19.200 -5.839 1.00 51.52 N ATOM 85 CA GLY A 7 -1.296 18.127 -5.974 1.00 52.40 C ATOM 86 C GLY A 7 -0.659 18.090 -7.350 1.00 33.04 C ATOM 87 O GLY A 7 -1.146 18.727 -8.283 1.00 12.54 O ATOM 0 H GLY A 7 -2.180 19.943 -6.533 1.00 51.52 H new ATOM 0 HA2 GLY A 7 -0.518 18.247 -5.220 1.00 52.40 H new ATOM 0 HA3 GLY A 7 -1.786 17.173 -5.778 1.00 52.40 H new ATOM 91 N SER A 8 0.433 17.343 -7.475 1.00 72.41 N ATOM 92 CA SER A 8 1.141 17.230 -8.744 1.00 0.24 C ATOM 93 C SER A 8 1.066 15.805 -9.283 1.00 2.32 C ATOM 94 O SER A 8 1.260 15.569 -10.476 1.00 70.43 O ATOM 95 CB SER A 8 2.603 17.647 -8.577 1.00 21.44 C ATOM 96 OG SER A 8 2.792 19.002 -8.950 1.00 51.32 O ATOM 0 H SER A 8 0.847 16.807 -6.712 1.00 72.41 H new ATOM 0 HA SER A 8 0.660 17.897 -9.460 1.00 0.24 H new ATOM 0 HB2 SER A 8 2.909 17.506 -7.540 1.00 21.44 H new ATOM 0 HB3 SER A 8 3.239 17.006 -9.187 1.00 21.44 H new ATOM 0 HG SER A 8 3.702 19.123 -9.294 1.00 51.32 H new ATOM 101 N MET A 9 0.783 14.857 -8.395 1.00 35.50 N ATOM 102 CA MET A 9 0.681 13.454 -8.780 1.00 23.15 C ATOM 103 C MET A 9 -0.751 12.952 -8.626 1.00 54.42 C ATOM 104 O MET A 9 -1.402 13.209 -7.614 1.00 54.41 O ATOM 105 CB MET A 9 1.628 12.601 -7.936 1.00 74.41 C ATOM 106 CG MET A 9 2.624 13.417 -7.127 1.00 42.11 C ATOM 107 SD MET A 9 3.872 14.210 -8.160 1.00 73.02 S ATOM 108 CE MET A 9 4.867 15.032 -6.918 1.00 53.15 C ATOM 0 H MET A 9 0.620 15.035 -7.404 1.00 35.50 H new ATOM 0 HA MET A 9 0.966 13.368 -9.829 1.00 23.15 H new ATOM 0 HB2 MET A 9 1.040 11.984 -7.257 1.00 74.41 H new ATOM 0 HB3 MET A 9 2.174 11.922 -8.591 1.00 74.41 H new ATOM 0 HG2 MET A 9 2.089 14.179 -6.561 1.00 42.11 H new ATOM 0 HG3 MET A 9 3.116 12.768 -6.402 1.00 42.11 H new ATOM 0 HE1 MET A 9 5.683 15.568 -7.402 1.00 53.15 H new ATOM 0 HE2 MET A 9 4.248 15.737 -6.364 1.00 53.15 H new ATOM 0 HE3 MET A 9 5.276 14.291 -6.231 1.00 53.15 H new ATOM 116 N GLN A 10 -1.233 12.233 -9.636 1.00 74.41 N ATOM 117 CA GLN A 10 -2.588 11.695 -9.610 1.00 12.41 C ATOM 118 C GLN A 10 -2.584 10.197 -9.897 1.00 10.21 C ATOM 119 O GLN A 10 -1.812 9.716 -10.727 1.00 13.11 O ATOM 120 CB GLN A 10 -3.466 12.419 -10.632 1.00 2.34 C ATOM 121 CG GLN A 10 -3.332 13.932 -10.584 1.00 2.03 C ATOM 122 CD GLN A 10 -2.556 14.487 -11.763 1.00 70.43 C ATOM 123 OE1 GLN A 10 -1.752 13.785 -12.378 1.00 15.20 O ATOM 124 NE2 GLN A 10 -2.792 15.753 -12.085 1.00 63.34 N ATOM 0 H GLN A 10 -0.706 12.010 -10.480 1.00 74.41 H new ATOM 0 HA GLN A 10 -2.997 11.855 -8.612 1.00 12.41 H new ATOM 0 HB2 GLN A 10 -3.208 12.071 -11.632 1.00 2.34 H new ATOM 0 HB3 GLN A 10 -4.508 12.149 -10.460 1.00 2.34 H new ATOM 0 HG2 GLN A 10 -4.325 14.380 -10.564 1.00 2.03 H new ATOM 0 HG3 GLN A 10 -2.834 14.220 -9.658 1.00 2.03 H new ATOM 0 HE21 GLN A 10 -3.467 16.298 -11.548 1.00 63.34 H new ATOM 0 HE22 GLN A 10 -2.299 16.180 -12.869 1.00 63.34 H new ATOM 131 N ILE A 11 -3.450 9.465 -9.205 1.00 74.12 N ATOM 132 CA ILE A 11 -3.546 8.022 -9.385 1.00 2.42 C ATOM 133 C ILE A 11 -4.990 7.547 -9.263 1.00 14.42 C ATOM 134 O ILE A 11 -5.865 8.294 -8.822 1.00 42.24 O ATOM 135 CB ILE A 11 -2.680 7.266 -8.360 1.00 75.42 C ATOM 136 CG1 ILE A 11 -1.965 6.091 -9.030 1.00 21.30 C ATOM 137 CG2 ILE A 11 -3.537 6.780 -7.200 1.00 60.44 C ATOM 138 CD1 ILE A 11 -0.969 6.514 -10.086 1.00 4.02 C ATOM 0 H ILE A 11 -4.096 9.848 -8.514 1.00 74.12 H new ATOM 0 HA ILE A 11 -3.178 7.805 -10.388 1.00 2.42 H new ATOM 0 HB ILE A 11 -1.926 7.949 -7.969 1.00 75.42 H new ATOM 0 HG12 ILE A 11 -1.449 5.508 -8.268 1.00 21.30 H new ATOM 0 HG13 ILE A 11 -2.708 5.435 -9.484 1.00 21.30 H new ATOM 0 HG21 ILE A 11 -2.911 6.247 -6.484 1.00 60.44 H new ATOM 0 HG22 ILE A 11 -4.004 7.634 -6.710 1.00 60.44 H new ATOM 0 HG23 ILE A 11 -4.310 6.110 -7.575 1.00 60.44 H new ATOM 0 HD11 ILE A 11 -0.500 5.630 -10.519 1.00 4.02 H new ATOM 0 HD12 ILE A 11 -1.483 7.072 -10.869 1.00 4.02 H new ATOM 0 HD13 ILE A 11 -0.205 7.145 -9.633 1.00 4.02 H new ATOM 149 N PHE A 12 -5.233 6.301 -9.653 1.00 43.33 N ATOM 150 CA PHE A 12 -6.571 5.725 -9.588 1.00 75.52 C ATOM 151 C PHE A 12 -6.646 4.644 -8.512 1.00 25.40 C ATOM 152 O PHE A 12 -5.941 3.636 -8.580 1.00 11.03 O ATOM 153 CB PHE A 12 -6.966 5.139 -10.944 1.00 72.12 C ATOM 154 CG PHE A 12 -8.207 5.755 -11.525 1.00 43.34 C ATOM 155 CD1 PHE A 12 -8.282 7.122 -11.740 1.00 52.52 C ATOM 156 CD2 PHE A 12 -9.297 4.966 -11.856 1.00 73.30 C ATOM 157 CE1 PHE A 12 -9.422 7.691 -12.275 1.00 14.10 C ATOM 158 CE2 PHE A 12 -10.440 5.531 -12.391 1.00 51.21 C ATOM 159 CZ PHE A 12 -10.503 6.894 -12.600 1.00 20.42 C ATOM 0 H PHE A 12 -4.520 5.670 -10.018 1.00 43.33 H new ATOM 0 HA PHE A 12 -7.269 6.521 -9.329 1.00 75.52 H new ATOM 0 HB2 PHE A 12 -6.141 5.274 -11.644 1.00 72.12 H new ATOM 0 HB3 PHE A 12 -7.119 4.065 -10.836 1.00 72.12 H new ATOM 0 HD1 PHE A 12 -7.440 7.749 -11.487 1.00 52.52 H new ATOM 0 HD2 PHE A 12 -9.253 3.899 -11.694 1.00 73.30 H new ATOM 0 HE1 PHE A 12 -9.468 8.757 -12.439 1.00 14.10 H new ATOM 0 HE2 PHE A 12 -11.283 4.906 -12.645 1.00 51.21 H new ATOM 0 HZ PHE A 12 -11.396 7.337 -13.017 1.00 20.42 H new ATOM 168 N VAL A 13 -7.503 4.862 -7.521 1.00 14.31 N ATOM 169 CA VAL A 13 -7.672 3.908 -6.431 1.00 43.34 C ATOM 170 C VAL A 13 -9.146 3.702 -6.103 1.00 50.22 C ATOM 171 O VAL A 13 -9.853 4.646 -5.754 1.00 34.35 O ATOM 172 CB VAL A 13 -6.934 4.370 -5.161 1.00 25.22 C ATOM 173 CG1 VAL A 13 -6.915 5.889 -5.077 1.00 32.33 C ATOM 174 CG2 VAL A 13 -7.578 3.767 -3.922 1.00 62.22 C ATOM 0 H VAL A 13 -8.092 5.692 -7.450 1.00 14.31 H new ATOM 0 HA VAL A 13 -7.243 2.964 -6.768 1.00 43.34 H new ATOM 0 HB VAL A 13 -5.903 4.020 -5.213 1.00 25.22 H new ATOM 0 HG11 VAL A 13 -6.389 6.197 -4.173 1.00 32.33 H new ATOM 0 HG12 VAL A 13 -6.404 6.295 -5.950 1.00 32.33 H new ATOM 0 HG13 VAL A 13 -7.938 6.265 -5.048 1.00 32.33 H new ATOM 0 HG21 VAL A 13 -7.044 4.104 -3.034 1.00 62.22 H new ATOM 0 HG22 VAL A 13 -8.619 4.085 -3.862 1.00 62.22 H new ATOM 0 HG23 VAL A 13 -7.533 2.680 -3.981 1.00 62.22 H new ATOM 184 N LYS A 14 -9.604 2.460 -6.216 1.00 5.44 N ATOM 185 CA LYS A 14 -10.994 2.128 -5.931 1.00 55.34 C ATOM 186 C LYS A 14 -11.145 1.591 -4.511 1.00 21.51 C ATOM 187 O LYS A 14 -10.427 0.679 -4.100 1.00 22.22 O ATOM 188 CB LYS A 14 -11.509 1.093 -6.935 1.00 32.21 C ATOM 189 CG LYS A 14 -12.051 1.705 -8.214 1.00 1.15 C ATOM 190 CD LYS A 14 -13.571 1.745 -8.215 1.00 71.25 C ATOM 191 CE LYS A 14 -14.105 2.636 -9.325 1.00 50.13 C ATOM 192 NZ LYS A 14 -14.241 1.898 -10.612 1.00 72.51 N ATOM 0 H LYS A 14 -9.032 1.666 -6.503 1.00 5.44 H new ATOM 0 HA LYS A 14 -11.585 3.040 -6.022 1.00 55.34 H new ATOM 0 HB2 LYS A 14 -10.699 0.407 -7.185 1.00 32.21 H new ATOM 0 HB3 LYS A 14 -12.294 0.501 -6.464 1.00 32.21 H new ATOM 0 HG2 LYS A 14 -11.660 2.716 -8.329 1.00 1.15 H new ATOM 0 HG3 LYS A 14 -11.701 1.129 -9.071 1.00 1.15 H new ATOM 0 HD2 LYS A 14 -13.962 0.735 -8.338 1.00 71.25 H new ATOM 0 HD3 LYS A 14 -13.927 2.110 -7.251 1.00 71.25 H new ATOM 0 HE2 LYS A 14 -15.075 3.038 -9.033 1.00 50.13 H new ATOM 0 HE3 LYS A 14 -13.436 3.485 -9.462 1.00 50.13 H new ATOM 0 HZ1 LYS A 14 -14.608 2.540 -11.343 1.00 72.51 H new ATOM 0 HZ2 LYS A 14 -13.311 1.536 -10.904 1.00 72.51 H new ATOM 0 HZ3 LYS A 14 -14.899 1.102 -10.488 1.00 72.51 H new ATOM 202 N THR A 15 -12.083 2.165 -3.763 1.00 50.02 N ATOM 203 CA THR A 15 -12.328 1.745 -2.389 1.00 43.32 C ATOM 204 C THR A 15 -13.129 0.449 -2.345 1.00 42.32 C ATOM 205 O THR A 15 -13.398 -0.163 -3.380 1.00 20.02 O ATOM 206 CB THR A 15 -13.082 2.828 -1.597 1.00 30.43 C ATOM 207 OG1 THR A 15 -14.461 2.850 -1.985 1.00 42.13 O ATOM 208 CG2 THR A 15 -12.463 4.199 -1.829 1.00 52.30 C ATOM 0 H THR A 15 -12.685 2.922 -4.086 1.00 50.02 H new ATOM 0 HA THR A 15 -11.353 1.582 -1.930 1.00 43.32 H new ATOM 0 HB THR A 15 -13.007 2.588 -0.536 1.00 30.43 H new ATOM 0 HG1 THR A 15 -15.013 2.508 -1.251 1.00 42.13 H new ATOM 0 HG21 THR A 15 -13.013 4.948 -1.259 1.00 52.30 H new ATOM 0 HG22 THR A 15 -11.422 4.188 -1.505 1.00 52.30 H new ATOM 0 HG23 THR A 15 -12.510 4.444 -2.890 1.00 52.30 H new ATOM 216 N LEU A 16 -13.508 0.034 -1.140 1.00 10.45 N ATOM 217 CA LEU A 16 -14.280 -1.190 -0.962 1.00 55.41 C ATOM 218 C LEU A 16 -15.715 -1.006 -1.445 1.00 4.51 C ATOM 219 O LEU A 16 -16.331 -1.935 -1.968 1.00 54.45 O ATOM 220 CB LEU A 16 -14.276 -1.608 0.510 1.00 12.22 C ATOM 221 CG LEU A 16 -12.912 -1.958 1.105 1.00 64.41 C ATOM 222 CD1 LEU A 16 -12.202 -0.702 1.586 1.00 44.13 C ATOM 223 CD2 LEU A 16 -13.066 -2.954 2.244 1.00 51.34 C ATOM 0 H LEU A 16 -13.293 0.527 -0.273 1.00 10.45 H new ATOM 0 HA LEU A 16 -13.814 -1.974 -1.559 1.00 55.41 H new ATOM 0 HB2 LEU A 16 -14.710 -0.799 1.098 1.00 12.22 H new ATOM 0 HB3 LEU A 16 -14.932 -2.471 0.624 1.00 12.22 H new ATOM 0 HG LEU A 16 -12.305 -2.419 0.326 1.00 64.41 H new ATOM 0 HD11 LEU A 16 -11.233 -0.970 2.006 1.00 44.13 H new ATOM 0 HD12 LEU A 16 -12.058 -0.022 0.747 1.00 44.13 H new ATOM 0 HD13 LEU A 16 -12.806 -0.213 2.350 1.00 44.13 H new ATOM 0 HD21 LEU A 16 -12.085 -3.191 2.655 1.00 51.34 H new ATOM 0 HD22 LEU A 16 -13.691 -2.520 3.024 1.00 51.34 H new ATOM 0 HD23 LEU A 16 -13.533 -3.865 1.870 1.00 51.34 H new ATOM 234 N THR A 17 -16.242 0.203 -1.271 1.00 53.24 N ATOM 235 CA THR A 17 -17.603 0.510 -1.690 1.00 3.14 C ATOM 236 C THR A 17 -17.644 0.937 -3.153 1.00 20.12 C ATOM 237 O THR A 17 -18.641 0.728 -3.843 1.00 31.33 O ATOM 238 CB THR A 17 -18.219 1.625 -0.825 1.00 33.32 C ATOM 239 OG1 THR A 17 -19.641 1.466 -0.760 1.00 33.14 O ATOM 240 CG2 THR A 17 -17.881 2.997 -1.388 1.00 34.23 C ATOM 0 H THR A 17 -15.746 0.985 -0.843 1.00 53.24 H new ATOM 0 HA THR A 17 -18.186 -0.402 -1.563 1.00 3.14 H new ATOM 0 HB THR A 17 -17.800 1.549 0.178 1.00 33.32 H new ATOM 0 HG1 THR A 17 -20.025 2.178 -0.207 1.00 33.14 H new ATOM 0 HG21 THR A 17 -18.327 3.768 -0.760 1.00 34.23 H new ATOM 0 HG22 THR A 17 -16.799 3.126 -1.407 1.00 34.23 H new ATOM 0 HG23 THR A 17 -18.274 3.082 -2.401 1.00 34.23 H new ATOM 248 N GLY A 18 -16.554 1.536 -3.622 1.00 72.23 N ATOM 249 CA GLY A 18 -16.486 1.982 -5.001 1.00 34.34 C ATOM 250 C GLY A 18 -16.090 3.440 -5.119 1.00 64.11 C ATOM 251 O GLY A 18 -16.021 3.985 -6.221 1.00 22.32 O ATOM 0 H GLY A 18 -15.716 1.721 -3.071 1.00 72.23 H new ATOM 0 HA2 GLY A 18 -15.767 1.368 -5.543 1.00 34.34 H new ATOM 0 HA3 GLY A 18 -17.455 1.832 -5.476 1.00 34.34 H new ATOM 255 N LYS A 19 -15.829 4.076 -3.981 1.00 13.42 N ATOM 256 CA LYS A 19 -15.438 5.481 -3.961 1.00 13.32 C ATOM 257 C LYS A 19 -14.104 5.683 -4.671 1.00 24.34 C ATOM 258 O LYS A 19 -13.259 4.787 -4.699 1.00 34.52 O ATOM 259 CB LYS A 19 -15.343 5.983 -2.519 1.00 5.02 C ATOM 260 CG LYS A 19 -16.593 6.703 -2.042 1.00 70.33 C ATOM 261 CD LYS A 19 -16.862 7.954 -2.861 1.00 34.14 C ATOM 262 CE LYS A 19 -17.764 8.925 -2.114 1.00 5.20 C ATOM 263 NZ LYS A 19 -18.305 9.983 -3.012 1.00 13.33 N ATOM 0 H LYS A 19 -15.881 3.640 -3.060 1.00 13.42 H new ATOM 0 HA LYS A 19 -16.200 6.054 -4.489 1.00 13.32 H new ATOM 0 HB2 LYS A 19 -15.148 5.137 -1.861 1.00 5.02 H new ATOM 0 HB3 LYS A 19 -14.491 6.657 -2.433 1.00 5.02 H new ATOM 0 HG2 LYS A 19 -17.449 6.032 -2.110 1.00 70.33 H new ATOM 0 HG3 LYS A 19 -16.481 6.972 -0.992 1.00 70.33 H new ATOM 0 HD2 LYS A 19 -15.918 8.443 -3.101 1.00 34.14 H new ATOM 0 HD3 LYS A 19 -17.327 7.678 -3.807 1.00 34.14 H new ATOM 0 HE2 LYS A 19 -18.590 8.377 -1.660 1.00 5.20 H new ATOM 0 HE3 LYS A 19 -17.204 9.389 -1.302 1.00 5.20 H new ATOM 0 HZ1 LYS A 19 -18.914 10.624 -2.465 1.00 13.33 H new ATOM 0 HZ2 LYS A 19 -17.518 10.522 -3.426 1.00 13.33 H new ATOM 0 HZ3 LYS A 19 -18.861 9.542 -3.773 1.00 13.33 H new ATOM 273 N THR A 20 -13.918 6.869 -5.244 1.00 60.34 N ATOM 274 CA THR A 20 -12.686 7.190 -5.953 1.00 2.53 C ATOM 275 C THR A 20 -11.969 8.369 -5.305 1.00 41.21 C ATOM 276 O THR A 20 -12.569 9.418 -5.070 1.00 2.03 O ATOM 277 CB THR A 20 -12.960 7.520 -7.433 1.00 60.02 C ATOM 278 OG1 THR A 20 -14.302 7.993 -7.589 1.00 33.14 O ATOM 279 CG2 THR A 20 -12.742 6.296 -8.310 1.00 21.04 C ATOM 0 H THR A 20 -14.605 7.622 -5.230 1.00 60.34 H new ATOM 0 HA THR A 20 -12.050 6.307 -5.897 1.00 2.53 H new ATOM 0 HB THR A 20 -12.263 8.298 -7.744 1.00 60.02 H new ATOM 0 HG1 THR A 20 -14.468 8.202 -8.532 1.00 33.14 H new ATOM 0 HG21 THR A 20 -12.941 6.554 -9.350 1.00 21.04 H new ATOM 0 HG22 THR A 20 -11.711 5.957 -8.211 1.00 21.04 H new ATOM 0 HG23 THR A 20 -13.417 5.500 -7.998 1.00 21.04 H new ATOM 287 N ILE A 21 -10.684 8.190 -5.020 1.00 63.21 N ATOM 288 CA ILE A 21 -9.886 9.240 -4.400 1.00 3.15 C ATOM 289 C ILE A 21 -8.556 9.419 -5.123 1.00 2.21 C ATOM 290 O ILE A 21 -7.904 8.444 -5.501 1.00 14.44 O ATOM 291 CB ILE A 21 -9.614 8.939 -2.915 1.00 62.10 C ATOM 292 CG1 ILE A 21 -9.134 7.496 -2.745 1.00 50.14 C ATOM 293 CG2 ILE A 21 -10.865 9.189 -2.086 1.00 51.33 C ATOM 294 CD1 ILE A 21 -10.261 6.501 -2.576 1.00 74.43 C ATOM 0 H ILE A 21 -10.173 7.328 -5.209 1.00 63.21 H new ATOM 0 HA ILE A 21 -10.464 10.161 -4.475 1.00 3.15 H new ATOM 0 HB ILE A 21 -8.829 9.607 -2.561 1.00 62.10 H new ATOM 0 HG12 ILE A 21 -8.539 7.215 -3.614 1.00 50.14 H new ATOM 0 HG13 ILE A 21 -8.477 7.440 -1.877 1.00 50.14 H new ATOM 0 HG21 ILE A 21 -10.657 8.972 -1.038 1.00 51.33 H new ATOM 0 HG22 ILE A 21 -11.166 10.232 -2.187 1.00 51.33 H new ATOM 0 HG23 ILE A 21 -11.670 8.543 -2.437 1.00 51.33 H new ATOM 0 HD11 ILE A 21 -9.848 5.499 -2.461 1.00 74.43 H new ATOM 0 HD12 ILE A 21 -10.843 6.757 -1.691 1.00 74.43 H new ATOM 0 HD13 ILE A 21 -10.906 6.529 -3.455 1.00 74.43 H new ATOM 305 N THR A 22 -8.154 10.672 -5.313 1.00 32.42 N ATOM 306 CA THR A 22 -6.901 10.979 -5.990 1.00 44.14 C ATOM 307 C THR A 22 -5.710 10.779 -5.060 1.00 73.44 C ATOM 308 O THR A 22 -5.654 11.358 -3.973 1.00 50.52 O ATOM 309 CB THR A 22 -6.888 12.425 -6.518 1.00 24.20 C ATOM 310 OG1 THR A 22 -8.182 13.017 -6.361 1.00 1.20 O ATOM 311 CG2 THR A 22 -6.482 12.463 -7.984 1.00 1.10 C ATOM 0 H THR A 22 -8.679 11.491 -5.007 1.00 32.42 H new ATOM 0 HA THR A 22 -6.820 10.292 -6.832 1.00 44.14 H new ATOM 0 HB THR A 22 -6.158 12.992 -5.940 1.00 24.20 H new ATOM 0 HG1 THR A 22 -8.164 13.937 -6.698 1.00 1.20 H new ATOM 0 HG21 THR A 22 -6.480 13.495 -8.334 1.00 1.10 H new ATOM 0 HG22 THR A 22 -5.484 12.040 -8.096 1.00 1.10 H new ATOM 0 HG23 THR A 22 -7.191 11.881 -8.573 1.00 1.10 H new ATOM 319 N LEU A 23 -4.758 9.958 -5.491 1.00 33.35 N ATOM 320 CA LEU A 23 -3.566 9.683 -4.696 1.00 15.15 C ATOM 321 C LEU A 23 -2.300 9.938 -5.507 1.00 11.22 C ATOM 322 O LEU A 23 -2.335 9.965 -6.737 1.00 52.25 O ATOM 323 CB LEU A 23 -3.585 8.237 -4.198 1.00 62.42 C ATOM 324 CG LEU A 23 -4.103 8.023 -2.776 1.00 23.45 C ATOM 325 CD1 LEU A 23 -5.618 8.153 -2.735 1.00 53.13 C ATOM 326 CD2 LEU A 23 -3.669 6.663 -2.248 1.00 23.40 C ATOM 0 H LEU A 23 -4.789 9.471 -6.387 1.00 33.35 H new ATOM 0 HA LEU A 23 -3.567 10.356 -3.839 1.00 15.15 H new ATOM 0 HB2 LEU A 23 -4.199 7.647 -4.879 1.00 62.42 H new ATOM 0 HB3 LEU A 23 -2.572 7.840 -4.257 1.00 62.42 H new ATOM 0 HG LEU A 23 -3.674 8.793 -2.135 1.00 23.45 H new ATOM 0 HD11 LEU A 23 -5.969 7.998 -1.715 1.00 53.13 H new ATOM 0 HD12 LEU A 23 -5.907 9.149 -3.070 1.00 53.13 H new ATOM 0 HD13 LEU A 23 -6.065 7.406 -3.390 1.00 53.13 H new ATOM 0 HD21 LEU A 23 -4.047 6.529 -1.235 1.00 23.40 H new ATOM 0 HD22 LEU A 23 -4.068 5.879 -2.891 1.00 23.40 H new ATOM 0 HD23 LEU A 23 -2.581 6.606 -2.240 1.00 23.40 H new ATOM 337 N GLU A 24 -1.184 10.122 -4.810 1.00 61.40 N ATOM 338 CA GLU A 24 0.094 10.372 -5.466 1.00 23.33 C ATOM 339 C GLU A 24 0.950 9.110 -5.490 1.00 22.22 C ATOM 340 O GLU A 24 0.830 8.247 -4.620 1.00 12.13 O ATOM 341 CB GLU A 24 0.846 11.499 -4.754 1.00 41.24 C ATOM 342 CG GLU A 24 1.190 11.182 -3.308 1.00 50.53 C ATOM 343 CD GLU A 24 2.668 10.915 -3.105 1.00 63.23 C ATOM 344 OE1 GLU A 24 3.292 10.317 -4.006 1.00 52.23 O ATOM 345 OE2 GLU A 24 3.203 11.305 -2.046 1.00 30.33 O ATOM 0 H GLU A 24 -1.139 10.103 -3.791 1.00 61.40 H new ATOM 0 HA GLU A 24 -0.107 10.672 -6.494 1.00 23.33 H new ATOM 0 HB2 GLU A 24 1.766 11.712 -5.299 1.00 41.24 H new ATOM 0 HB3 GLU A 24 0.240 12.405 -4.785 1.00 41.24 H new ATOM 0 HG2 GLU A 24 0.885 12.015 -2.675 1.00 50.53 H new ATOM 0 HG3 GLU A 24 0.620 10.311 -2.985 1.00 50.53 H new ATOM 350 N VAL A 25 1.816 9.008 -6.494 1.00 24.12 N ATOM 351 CA VAL A 25 2.694 7.852 -6.633 1.00 13.35 C ATOM 352 C VAL A 25 4.048 8.256 -7.203 1.00 41.21 C ATOM 353 O VAL A 25 4.150 9.219 -7.963 1.00 12.11 O ATOM 354 CB VAL A 25 2.067 6.778 -7.540 1.00 15.54 C ATOM 355 CG1 VAL A 25 0.682 6.395 -7.038 1.00 33.41 C ATOM 356 CG2 VAL A 25 2.003 7.266 -8.980 1.00 72.53 C ATOM 0 H VAL A 25 1.928 9.712 -7.223 1.00 24.12 H new ATOM 0 HA VAL A 25 2.833 7.438 -5.634 1.00 13.35 H new ATOM 0 HB VAL A 25 2.698 5.890 -7.508 1.00 15.54 H new ATOM 0 HG11 VAL A 25 0.255 5.635 -7.692 1.00 33.41 H new ATOM 0 HG12 VAL A 25 0.758 6.000 -6.025 1.00 33.41 H new ATOM 0 HG13 VAL A 25 0.039 7.275 -7.037 1.00 33.41 H new ATOM 0 HG21 VAL A 25 1.557 6.494 -9.606 1.00 72.53 H new ATOM 0 HG22 VAL A 25 1.396 8.170 -9.031 1.00 72.53 H new ATOM 0 HG23 VAL A 25 3.010 7.484 -9.335 1.00 72.53 H new ATOM 366 N GLU A 26 5.086 7.513 -6.833 1.00 74.13 N ATOM 367 CA GLU A 26 6.435 7.793 -7.307 1.00 24.24 C ATOM 368 C GLU A 26 7.392 6.669 -6.925 1.00 41.11 C ATOM 369 O GLU A 26 7.225 5.997 -5.906 1.00 23.15 O ATOM 370 CB GLU A 26 6.935 9.121 -6.734 1.00 21.23 C ATOM 371 CG GLU A 26 7.205 10.178 -7.792 1.00 53.03 C ATOM 372 CD GLU A 26 6.475 11.479 -7.517 1.00 1.00 C ATOM 373 OE1 GLU A 26 5.314 11.421 -7.060 1.00 24.22 O ATOM 374 OE2 GLU A 26 7.065 12.553 -7.759 1.00 14.21 O ATOM 0 H GLU A 26 5.018 6.712 -6.206 1.00 74.13 H new ATOM 0 HA GLU A 26 6.402 7.863 -8.394 1.00 24.24 H new ATOM 0 HB2 GLU A 26 6.196 9.504 -6.030 1.00 21.23 H new ATOM 0 HB3 GLU A 26 7.850 8.942 -6.170 1.00 21.23 H new ATOM 0 HG2 GLU A 26 8.277 10.371 -7.842 1.00 53.03 H new ATOM 0 HG3 GLU A 26 6.904 9.796 -8.767 1.00 53.03 H new ATOM 379 N PRO A 27 8.421 6.458 -7.760 1.00 52.31 N ATOM 380 CA PRO A 27 9.425 5.416 -7.530 1.00 43.25 C ATOM 381 C PRO A 27 10.327 5.731 -6.342 1.00 45.43 C ATOM 382 O PRO A 27 10.844 4.827 -5.685 1.00 31.45 O ATOM 383 CB PRO A 27 10.235 5.410 -8.830 1.00 33.32 C ATOM 384 CG PRO A 27 10.064 6.782 -9.387 1.00 60.15 C ATOM 385 CD PRO A 27 8.682 7.221 -8.991 1.00 3.42 C ATOM 0 HA PRO A 27 8.968 4.456 -7.292 1.00 43.25 H new ATOM 0 HB2 PRO A 27 11.285 5.187 -8.642 1.00 33.32 H new ATOM 0 HB3 PRO A 27 9.868 4.653 -9.522 1.00 33.32 H new ATOM 0 HG2 PRO A 27 10.818 7.461 -8.989 1.00 60.15 H new ATOM 0 HG3 PRO A 27 10.177 6.780 -10.471 1.00 60.15 H new ATOM 0 HD2 PRO A 27 8.637 8.296 -8.815 1.00 3.42 H new ATOM 0 HD3 PRO A 27 7.951 6.994 -9.767 1.00 3.42 H new ATOM 390 N SER A 28 10.513 7.019 -6.072 1.00 32.43 N ATOM 391 CA SER A 28 11.357 7.454 -4.964 1.00 15.44 C ATOM 392 C SER A 28 10.508 7.852 -3.760 1.00 61.53 C ATOM 393 O SER A 28 11.018 7.994 -2.648 1.00 1.25 O ATOM 394 CB SER A 28 12.235 8.630 -5.395 1.00 11.11 C ATOM 395 OG SER A 28 11.445 9.745 -5.771 1.00 35.54 O ATOM 0 H SER A 28 10.091 7.780 -6.605 1.00 32.43 H new ATOM 0 HA SER A 28 11.997 6.620 -4.676 1.00 15.44 H new ATOM 0 HB2 SER A 28 12.900 8.910 -4.578 1.00 11.11 H new ATOM 0 HB3 SER A 28 12.867 8.329 -6.231 1.00 11.11 H new ATOM 0 HG SER A 28 12.029 10.484 -6.041 1.00 35.54 H new ATOM 400 N ASP A 29 9.212 8.030 -3.990 1.00 63.14 N ATOM 401 CA ASP A 29 8.292 8.411 -2.925 1.00 35.42 C ATOM 402 C ASP A 29 7.523 7.197 -2.410 1.00 65.12 C ATOM 403 O ASP A 29 6.765 6.570 -3.150 1.00 12.10 O ATOM 404 CB ASP A 29 7.314 9.475 -3.423 1.00 31.15 C ATOM 405 CG ASP A 29 8.017 10.647 -4.079 1.00 3.21 C ATOM 406 OD1 ASP A 29 9.242 10.789 -3.883 1.00 43.22 O ATOM 407 OD2 ASP A 29 7.343 11.422 -4.790 1.00 42.13 O ATOM 0 H ASP A 29 8.775 7.917 -4.905 1.00 63.14 H new ATOM 0 HA ASP A 29 8.878 8.823 -2.103 1.00 35.42 H new ATOM 0 HB2 ASP A 29 6.623 9.024 -4.136 1.00 31.15 H new ATOM 0 HB3 ASP A 29 6.717 9.836 -2.585 1.00 31.15 H new ATOM 411 N THR A 30 7.727 6.871 -1.138 1.00 14.41 N ATOM 412 CA THR A 30 7.056 5.732 -0.525 1.00 54.31 C ATOM 413 C THR A 30 5.649 6.101 -0.070 1.00 70.42 C ATOM 414 O THR A 30 5.260 7.268 -0.113 1.00 23.15 O ATOM 415 CB THR A 30 7.850 5.194 0.681 1.00 33.15 C ATOM 416 OG1 THR A 30 7.669 6.056 1.810 1.00 43.00 O ATOM 417 CG2 THR A 30 9.331 5.087 0.350 1.00 13.22 C ATOM 0 H THR A 30 8.352 7.380 -0.512 1.00 14.41 H new ATOM 0 HA THR A 30 6.995 4.954 -1.286 1.00 54.31 H new ATOM 0 HB THR A 30 7.475 4.199 0.920 1.00 33.15 H new ATOM 0 HG1 THR A 30 8.175 5.707 2.573 1.00 43.00 H new ATOM 0 HG21 THR A 30 9.871 4.705 1.217 1.00 13.22 H new ATOM 0 HG22 THR A 30 9.468 4.407 -0.491 1.00 13.22 H new ATOM 0 HG23 THR A 30 9.717 6.072 0.087 1.00 13.22 H new ATOM 425 N ILE A 31 4.891 5.102 0.369 1.00 41.14 N ATOM 426 CA ILE A 31 3.528 5.324 0.834 1.00 62.24 C ATOM 427 C ILE A 31 3.496 6.333 1.977 1.00 1.25 C ATOM 428 O ILE A 31 2.485 7.000 2.200 1.00 64.10 O ATOM 429 CB ILE A 31 2.874 4.012 1.305 1.00 34.12 C ATOM 430 CG1 ILE A 31 2.517 3.135 0.104 1.00 11.43 C ATOM 431 CG2 ILE A 31 1.636 4.307 2.139 1.00 2.33 C ATOM 432 CD1 ILE A 31 3.711 2.440 -0.514 1.00 73.14 C ATOM 0 H ILE A 31 5.198 4.130 0.412 1.00 41.14 H new ATOM 0 HA ILE A 31 2.965 5.718 -0.012 1.00 62.24 H new ATOM 0 HB ILE A 31 3.587 3.471 1.927 1.00 34.12 H new ATOM 0 HG12 ILE A 31 1.791 2.384 0.416 1.00 11.43 H new ATOM 0 HG13 ILE A 31 2.033 3.751 -0.654 1.00 11.43 H new ATOM 0 HG21 ILE A 31 1.185 3.370 2.465 1.00 2.33 H new ATOM 0 HG22 ILE A 31 1.917 4.897 3.012 1.00 2.33 H new ATOM 0 HG23 ILE A 31 0.918 4.866 1.539 1.00 2.33 H new ATOM 0 HD11 ILE A 31 3.383 1.836 -1.360 1.00 73.14 H new ATOM 0 HD12 ILE A 31 4.428 3.185 -0.857 1.00 73.14 H new ATOM 0 HD13 ILE A 31 4.183 1.797 0.229 1.00 73.14 H new ATOM 443 N GLU A 32 4.608 6.441 2.696 1.00 22.23 N ATOM 444 CA GLU A 32 4.706 7.371 3.815 1.00 62.44 C ATOM 445 C GLU A 32 4.273 8.773 3.397 1.00 23.24 C ATOM 446 O GLU A 32 3.429 9.392 4.043 1.00 34.11 O ATOM 447 CB GLU A 32 6.138 7.408 4.352 1.00 71.35 C ATOM 448 CG GLU A 32 6.225 7.758 5.829 1.00 41.25 C ATOM 449 CD GLU A 32 7.485 7.221 6.482 1.00 34.14 C ATOM 450 OE1 GLU A 32 7.976 6.162 6.039 1.00 75.34 O ATOM 451 OE2 GLU A 32 7.977 7.859 7.435 1.00 62.22 O ATOM 0 H GLU A 32 5.453 5.897 2.524 1.00 22.23 H new ATOM 0 HA GLU A 32 4.038 7.022 4.603 1.00 62.44 H new ATOM 0 HB2 GLU A 32 6.603 6.436 4.189 1.00 71.35 H new ATOM 0 HB3 GLU A 32 6.713 8.136 3.780 1.00 71.35 H new ATOM 0 HG2 GLU A 32 6.194 8.841 5.944 1.00 41.25 H new ATOM 0 HG3 GLU A 32 5.353 7.357 6.346 1.00 41.25 H new ATOM 456 N ASN A 33 4.858 9.268 2.311 1.00 22.43 N ATOM 457 CA ASN A 33 4.533 10.598 1.805 1.00 72.54 C ATOM 458 C ASN A 33 3.197 10.589 1.071 1.00 4.51 C ATOM 459 O ASN A 33 2.484 11.592 1.044 1.00 23.33 O ATOM 460 CB ASN A 33 5.638 11.095 0.873 1.00 5.32 C ATOM 461 CG ASN A 33 7.023 10.722 1.365 1.00 54.23 C ATOM 462 OD1 ASN A 33 7.691 9.868 0.783 1.00 43.35 O ATOM 463 ND2 ASN A 33 7.461 11.361 2.445 1.00 12.54 N ATOM 0 H ASN A 33 5.559 8.769 1.764 1.00 22.43 H new ATOM 0 HA ASN A 33 4.454 11.275 2.656 1.00 72.54 H new ATOM 0 HB2 ASN A 33 5.485 10.678 -0.122 1.00 5.32 H new ATOM 0 HB3 ASN A 33 5.569 12.179 0.778 1.00 5.32 H new ATOM 0 HD21 ASN A 33 8.385 11.150 2.823 1.00 12.54 H new ATOM 0 HD22 ASN A 33 6.873 12.062 2.896 1.00 12.54 H new ATOM 469 N VAL A 34 2.863 9.449 0.474 1.00 53.21 N ATOM 470 CA VAL A 34 1.612 9.307 -0.261 1.00 30.24 C ATOM 471 C VAL A 34 0.412 9.413 0.673 1.00 12.25 C ATOM 472 O VAL A 34 -0.646 9.914 0.290 1.00 13.54 O ATOM 473 CB VAL A 34 1.549 7.964 -1.010 1.00 74.13 C ATOM 474 CG1 VAL A 34 0.213 7.810 -1.722 1.00 62.31 C ATOM 475 CG2 VAL A 34 2.703 7.848 -1.994 1.00 23.24 C ATOM 0 H VAL A 34 3.442 8.610 0.485 1.00 53.21 H new ATOM 0 HA VAL A 34 1.578 10.120 -0.987 1.00 30.24 H new ATOM 0 HB VAL A 34 1.640 7.158 -0.282 1.00 74.13 H new ATOM 0 HG11 VAL A 34 0.188 6.854 -2.246 1.00 62.31 H new ATOM 0 HG12 VAL A 34 -0.595 7.845 -0.991 1.00 62.31 H new ATOM 0 HG13 VAL A 34 0.088 8.621 -2.440 1.00 62.31 H new ATOM 0 HG21 VAL A 34 2.643 6.892 -2.515 1.00 23.24 H new ATOM 0 HG22 VAL A 34 2.646 8.660 -2.719 1.00 23.24 H new ATOM 0 HG23 VAL A 34 3.648 7.908 -1.455 1.00 23.24 H new ATOM 485 N LYS A 35 0.582 8.938 1.902 1.00 33.15 N ATOM 486 CA LYS A 35 -0.487 8.980 2.894 1.00 10.40 C ATOM 487 C LYS A 35 -1.050 10.390 3.028 1.00 2.13 C ATOM 488 O LYS A 35 -2.241 10.572 3.282 1.00 71.12 O ATOM 489 CB LYS A 35 0.029 8.494 4.251 1.00 3.33 C ATOM 490 CG LYS A 35 0.691 9.584 5.075 1.00 64.21 C ATOM 491 CD LYS A 35 1.547 9.001 6.186 1.00 12.11 C ATOM 492 CE LYS A 35 0.887 9.172 7.546 1.00 34.31 C ATOM 493 NZ LYS A 35 1.410 8.197 8.543 1.00 31.23 N ATOM 0 H LYS A 35 1.450 8.519 2.236 1.00 33.15 H new ATOM 0 HA LYS A 35 -1.286 8.319 2.558 1.00 10.40 H new ATOM 0 HB2 LYS A 35 -0.803 8.076 4.818 1.00 3.33 H new ATOM 0 HB3 LYS A 35 0.743 7.687 4.091 1.00 3.33 H new ATOM 0 HG2 LYS A 35 1.308 10.207 4.427 1.00 64.21 H new ATOM 0 HG3 LYS A 35 -0.073 10.231 5.505 1.00 64.21 H new ATOM 0 HD2 LYS A 35 1.721 7.942 5.995 1.00 12.11 H new ATOM 0 HD3 LYS A 35 2.522 9.488 6.190 1.00 12.11 H new ATOM 0 HE2 LYS A 35 1.056 10.187 7.907 1.00 34.31 H new ATOM 0 HE3 LYS A 35 -0.191 9.045 7.445 1.00 34.31 H new ATOM 0 HZ1 LYS A 35 0.656 7.951 9.216 1.00 31.23 H new ATOM 0 HZ2 LYS A 35 1.731 7.338 8.053 1.00 31.23 H new ATOM 0 HZ3 LYS A 35 2.208 8.621 9.057 1.00 31.23 H new ATOM 503 N ALA A 36 -0.188 11.386 2.852 1.00 14.13 N ATOM 504 CA ALA A 36 -0.601 12.780 2.950 1.00 22.23 C ATOM 505 C ALA A 36 -1.589 13.140 1.845 1.00 54.23 C ATOM 506 O ALA A 36 -2.464 13.986 2.031 1.00 51.15 O ATOM 507 CB ALA A 36 0.613 13.696 2.892 1.00 41.15 C ATOM 0 H ALA A 36 0.801 11.253 2.641 1.00 14.13 H new ATOM 0 HA ALA A 36 -1.102 12.917 3.908 1.00 22.23 H new ATOM 0 HB1 ALA A 36 0.289 14.734 2.966 1.00 41.15 H new ATOM 0 HB2 ALA A 36 1.283 13.465 3.720 1.00 41.15 H new ATOM 0 HB3 ALA A 36 1.137 13.546 1.948 1.00 41.15 H new ATOM 513 N LYS A 37 -1.445 12.490 0.695 1.00 64.45 N ATOM 514 CA LYS A 37 -2.325 12.740 -0.440 1.00 62.11 C ATOM 515 C LYS A 37 -3.685 12.083 -0.229 1.00 23.42 C ATOM 516 O LYS A 37 -4.724 12.731 -0.359 1.00 22.41 O ATOM 517 CB LYS A 37 -1.689 12.215 -1.730 1.00 72.41 C ATOM 518 CG LYS A 37 -1.586 13.261 -2.827 1.00 60.14 C ATOM 519 CD LYS A 37 -0.441 14.226 -2.571 1.00 60.32 C ATOM 520 CE LYS A 37 -0.941 15.549 -2.011 1.00 52.02 C ATOM 521 NZ LYS A 37 -1.000 16.607 -3.056 1.00 11.33 N ATOM 0 H LYS A 37 -0.727 11.786 0.525 1.00 64.45 H new ATOM 0 HA LYS A 37 -2.470 13.817 -0.525 1.00 62.11 H new ATOM 0 HB2 LYS A 37 -0.692 11.837 -1.506 1.00 72.41 H new ATOM 0 HB3 LYS A 37 -2.275 11.372 -2.097 1.00 72.41 H new ATOM 0 HG2 LYS A 37 -1.440 12.768 -3.788 1.00 60.14 H new ATOM 0 HG3 LYS A 37 -2.522 13.815 -2.892 1.00 60.14 H new ATOM 0 HD2 LYS A 37 0.265 13.777 -1.872 1.00 60.32 H new ATOM 0 HD3 LYS A 37 0.100 14.404 -3.500 1.00 60.32 H new ATOM 0 HE2 LYS A 37 -1.932 15.409 -1.580 1.00 52.02 H new ATOM 0 HE3 LYS A 37 -0.285 15.873 -1.203 1.00 52.02 H new ATOM 0 HZ1 LYS A 37 -0.319 17.359 -2.828 1.00 11.33 H new ATOM 0 HZ2 LYS A 37 -0.764 16.195 -3.981 1.00 11.33 H new ATOM 0 HZ3 LYS A 37 -1.959 17.008 -3.090 1.00 11.33 H new ATOM 531 N ILE A 38 -3.671 10.796 0.099 1.00 54.30 N ATOM 532 CA ILE A 38 -4.905 10.054 0.331 1.00 40.41 C ATOM 533 C ILE A 38 -5.641 10.581 1.558 1.00 65.34 C ATOM 534 O ILE A 38 -6.871 10.596 1.597 1.00 43.44 O ATOM 535 CB ILE A 38 -4.630 8.550 0.518 1.00 51.40 C ATOM 536 CG1 ILE A 38 -5.925 7.750 0.366 1.00 13.45 C ATOM 537 CG2 ILE A 38 -3.998 8.292 1.877 1.00 10.23 C ATOM 538 CD1 ILE A 38 -6.674 7.560 1.666 1.00 71.14 C ATOM 0 H ILE A 38 -2.820 10.245 0.210 1.00 54.30 H new ATOM 0 HA ILE A 38 -5.529 10.194 -0.552 1.00 40.41 H new ATOM 0 HB ILE A 38 -3.932 8.225 -0.253 1.00 51.40 H new ATOM 0 HG12 ILE A 38 -6.574 8.258 -0.347 1.00 13.45 H new ATOM 0 HG13 ILE A 38 -5.691 6.772 -0.055 1.00 13.45 H new ATOM 0 HG21 ILE A 38 -3.810 7.225 1.994 1.00 10.23 H new ATOM 0 HG22 ILE A 38 -3.057 8.837 1.950 1.00 10.23 H new ATOM 0 HG23 ILE A 38 -4.674 8.629 2.663 1.00 10.23 H new ATOM 0 HD11 ILE A 38 -7.581 6.984 1.482 1.00 71.14 H new ATOM 0 HD12 ILE A 38 -6.042 7.025 2.375 1.00 71.14 H new ATOM 0 HD13 ILE A 38 -6.939 8.533 2.079 1.00 71.14 H new ATOM 549 N GLN A 39 -4.879 11.015 2.557 1.00 45.31 N ATOM 550 CA GLN A 39 -5.459 11.543 3.785 1.00 35.44 C ATOM 551 C GLN A 39 -6.305 12.780 3.499 1.00 11.43 C ATOM 552 O GLN A 39 -7.277 13.056 4.204 1.00 4.42 O ATOM 553 CB GLN A 39 -4.357 11.886 4.789 1.00 24.23 C ATOM 554 CG GLN A 39 -4.884 12.308 6.151 1.00 74.21 C ATOM 555 CD GLN A 39 -5.391 13.736 6.166 1.00 42.11 C ATOM 556 OE1 GLN A 39 -5.065 14.531 5.283 1.00 30.23 O ATOM 557 NE2 GLN A 39 -6.191 14.071 7.170 1.00 31.44 N ATOM 0 H GLN A 39 -3.859 11.011 2.539 1.00 45.31 H new ATOM 0 HA GLN A 39 -6.103 10.775 4.212 1.00 35.44 H new ATOM 0 HB2 GLN A 39 -3.707 11.020 4.913 1.00 24.23 H new ATOM 0 HB3 GLN A 39 -3.743 12.689 4.382 1.00 24.23 H new ATOM 0 HG2 GLN A 39 -5.691 11.637 6.447 1.00 74.21 H new ATOM 0 HG3 GLN A 39 -4.092 12.200 6.892 1.00 74.21 H new ATOM 0 HE21 GLN A 39 -6.435 13.380 7.880 1.00 31.44 H new ATOM 0 HE22 GLN A 39 -6.562 15.019 7.232 1.00 31.44 H new ATOM 564 N ASP A 40 -5.930 13.520 2.462 1.00 64.11 N ATOM 565 CA ASP A 40 -6.654 14.728 2.081 1.00 75.35 C ATOM 566 C ASP A 40 -7.951 14.378 1.358 1.00 44.42 C ATOM 567 O ASP A 40 -8.915 15.143 1.383 1.00 42.13 O ATOM 568 CB ASP A 40 -5.781 15.613 1.192 1.00 11.45 C ATOM 569 CG ASP A 40 -4.893 16.544 1.993 1.00 32.21 C ATOM 570 OD1 ASP A 40 -5.322 16.981 3.082 1.00 63.51 O ATOM 571 OD2 ASP A 40 -3.770 16.835 1.533 1.00 62.10 O ATOM 0 H ASP A 40 -5.128 13.305 1.869 1.00 64.11 H new ATOM 0 HA ASP A 40 -6.903 15.275 2.990 1.00 75.35 H new ATOM 0 HB2 ASP A 40 -5.160 14.983 0.555 1.00 11.45 H new ATOM 0 HB3 ASP A 40 -6.419 16.202 0.533 1.00 11.45 H new ATOM 575 N LYS A 41 -7.967 13.217 0.712 1.00 4.13 N ATOM 576 CA LYS A 41 -9.144 12.764 -0.021 1.00 52.01 C ATOM 577 C LYS A 41 -10.235 12.297 0.938 1.00 25.40 C ATOM 578 O LYS A 41 -11.358 12.798 0.905 1.00 74.11 O ATOM 579 CB LYS A 41 -8.770 11.630 -0.976 1.00 10.30 C ATOM 580 CG LYS A 41 -7.521 11.910 -1.795 1.00 74.24 C ATOM 581 CD LYS A 41 -7.634 13.222 -2.553 1.00 30.21 C ATOM 582 CE LYS A 41 -6.592 14.226 -2.086 1.00 22.13 C ATOM 583 NZ LYS A 41 -6.677 15.506 -2.843 1.00 10.23 N ATOM 0 H LYS A 41 -7.178 12.572 0.681 1.00 4.13 H new ATOM 0 HA LYS A 41 -9.528 13.605 -0.599 1.00 52.01 H new ATOM 0 HB2 LYS A 41 -8.620 10.717 -0.401 1.00 10.30 H new ATOM 0 HB3 LYS A 41 -9.604 11.446 -1.653 1.00 10.30 H new ATOM 0 HG2 LYS A 41 -6.653 11.943 -1.137 1.00 74.24 H new ATOM 0 HG3 LYS A 41 -7.356 11.095 -2.499 1.00 74.24 H new ATOM 0 HD2 LYS A 41 -7.511 13.039 -3.620 1.00 30.21 H new ATOM 0 HD3 LYS A 41 -8.631 13.639 -2.414 1.00 30.21 H new ATOM 0 HE2 LYS A 41 -6.728 14.423 -1.023 1.00 22.13 H new ATOM 0 HE3 LYS A 41 -5.596 13.799 -2.206 1.00 22.13 H new ATOM 0 HZ1 LYS A 41 -6.319 16.283 -2.252 1.00 10.23 H new ATOM 0 HZ2 LYS A 41 -6.104 15.437 -3.708 1.00 10.23 H new ATOM 0 HZ3 LYS A 41 -7.668 15.693 -3.099 1.00 10.23 H new ATOM 593 N GLU A 42 -9.893 11.337 1.792 1.00 10.33 N ATOM 594 CA GLU A 42 -10.845 10.803 2.760 1.00 61.22 C ATOM 595 C GLU A 42 -10.275 10.868 4.175 1.00 22.14 C ATOM 596 O GLU A 42 -11.003 11.107 5.138 1.00 65.34 O ATOM 597 CB GLU A 42 -11.207 9.359 2.411 1.00 0.41 C ATOM 598 CG GLU A 42 -10.041 8.556 1.858 1.00 34.02 C ATOM 599 CD GLU A 42 -10.435 7.141 1.478 1.00 43.03 C ATOM 600 OE1 GLU A 42 -11.443 6.640 2.017 1.00 33.41 O ATOM 601 OE2 GLU A 42 -9.734 6.536 0.641 1.00 71.14 O ATOM 0 H GLU A 42 -8.966 10.914 1.833 1.00 10.33 H new ATOM 0 HA GLU A 42 -11.746 11.415 2.720 1.00 61.22 H new ATOM 0 HB2 GLU A 42 -11.588 8.863 3.304 1.00 0.41 H new ATOM 0 HB3 GLU A 42 -12.015 9.362 1.679 1.00 0.41 H new ATOM 0 HG2 GLU A 42 -9.637 9.064 0.982 1.00 34.02 H new ATOM 0 HG3 GLU A 42 -9.244 8.520 2.601 1.00 34.02 H new ATOM 606 N GLY A 43 -8.968 10.654 4.291 1.00 11.31 N ATOM 607 CA GLY A 43 -8.323 10.690 5.590 1.00 32.25 C ATOM 608 C GLY A 43 -8.035 9.306 6.135 1.00 12.03 C ATOM 609 O GLY A 43 -7.827 9.135 7.336 1.00 12.02 O ATOM 0 H GLY A 43 -8.345 10.456 3.508 1.00 11.31 H new ATOM 0 HA2 GLY A 43 -7.390 11.248 5.513 1.00 32.25 H new ATOM 0 HA3 GLY A 43 -8.959 11.228 6.293 1.00 32.25 H new ATOM 613 N ILE A 44 -8.025 8.315 5.250 1.00 40.43 N ATOM 614 CA ILE A 44 -7.761 6.938 5.650 1.00 61.10 C ATOM 615 C ILE A 44 -6.300 6.749 6.042 1.00 31.31 C ATOM 616 O ILE A 44 -5.384 7.212 5.361 1.00 53.44 O ATOM 617 CB ILE A 44 -8.110 5.948 4.522 1.00 61.11 C ATOM 618 CG1 ILE A 44 -9.609 5.993 4.221 1.00 14.32 C ATOM 619 CG2 ILE A 44 -7.682 4.538 4.904 1.00 73.53 C ATOM 620 CD1 ILE A 44 -10.475 5.617 5.403 1.00 53.23 C ATOM 0 H ILE A 44 -8.196 8.440 4.252 1.00 40.43 H new ATOM 0 HA ILE A 44 -8.395 6.733 6.513 1.00 61.10 H new ATOM 0 HB ILE A 44 -7.569 6.239 3.622 1.00 61.11 H new ATOM 0 HG12 ILE A 44 -9.875 6.997 3.891 1.00 14.32 H new ATOM 0 HG13 ILE A 44 -9.825 5.318 3.393 1.00 14.32 H new ATOM 0 HG21 ILE A 44 -7.935 3.850 4.097 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.605 4.518 5.074 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -8.199 4.235 5.815 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -11.525 5.671 5.116 1.00 53.23 H new ATOM 0 HD12 ILE A 44 -10.237 4.602 5.720 1.00 53.23 H new ATOM 0 HD13 ILE A 44 -10.287 6.307 6.226 1.00 53.23 H new ATOM 631 N PRO A 45 -6.074 6.053 7.165 1.00 72.01 N ATOM 632 CA PRO A 45 -4.725 5.785 7.673 1.00 42.23 C ATOM 633 C PRO A 45 -3.959 4.802 6.793 1.00 20.54 C ATOM 634 O PRO A 45 -4.482 3.769 6.374 1.00 3.12 O ATOM 635 CB PRO A 45 -4.980 5.178 9.055 1.00 73.45 C ATOM 636 CG PRO A 45 -6.344 4.586 8.964 1.00 4.02 C ATOM 637 CD PRO A 45 -7.118 5.472 8.027 1.00 25.10 C ATOM 0 HA PRO A 45 -4.111 6.686 7.695 1.00 42.23 H new ATOM 0 HB2 PRO A 45 -4.235 4.420 9.298 1.00 73.45 H new ATOM 0 HB3 PRO A 45 -4.929 5.937 9.836 1.00 73.45 H new ATOM 0 HG2 PRO A 45 -6.301 3.564 8.589 1.00 4.02 H new ATOM 0 HG3 PRO A 45 -6.818 4.546 9.945 1.00 4.02 H new ATOM 0 HD2 PRO A 45 -7.847 4.905 7.448 1.00 25.10 H new ATOM 0 HD3 PRO A 45 -7.669 6.243 8.566 1.00 25.10 H new ATOM 642 N PRO A 46 -2.690 5.129 6.507 1.00 2.20 N ATOM 643 CA PRO A 46 -1.825 4.287 5.675 1.00 11.21 C ATOM 644 C PRO A 46 -1.436 2.987 6.372 1.00 21.34 C ATOM 645 O PRO A 46 -1.366 1.932 5.743 1.00 64.33 O ATOM 646 CB PRO A 46 -0.590 5.162 5.448 1.00 21.32 C ATOM 647 CG PRO A 46 -0.564 6.090 6.614 1.00 43.25 C ATOM 648 CD PRO A 46 -2.002 6.345 6.973 1.00 12.31 C ATOM 0 HA PRO A 46 -2.321 3.978 4.755 1.00 11.21 H new ATOM 0 HB2 PRO A 46 0.318 4.561 5.400 1.00 21.32 H new ATOM 0 HB3 PRO A 46 -0.660 5.709 4.508 1.00 21.32 H new ATOM 0 HG2 PRO A 46 -0.025 5.648 7.452 1.00 43.25 H new ATOM 0 HG3 PRO A 46 -0.054 7.020 6.361 1.00 43.25 H new ATOM 0 HD2 PRO A 46 -2.128 6.492 8.046 1.00 12.31 H new ATOM 0 HD3 PRO A 46 -2.387 7.238 6.481 1.00 12.31 H new ATOM 653 N ASP A 47 -1.186 3.073 7.674 1.00 52.12 N ATOM 654 CA ASP A 47 -0.806 1.903 8.457 1.00 43.42 C ATOM 655 C ASP A 47 -1.883 0.825 8.381 1.00 42.25 C ATOM 656 O ASP A 47 -1.577 -0.365 8.308 1.00 52.41 O ATOM 657 CB ASP A 47 -0.563 2.295 9.915 1.00 23.21 C ATOM 658 CG ASP A 47 0.906 2.517 10.218 1.00 13.51 C ATOM 659 OD1 ASP A 47 1.743 1.767 9.673 1.00 62.44 O ATOM 660 OD2 ASP A 47 1.218 3.440 10.998 1.00 20.20 O ATOM 0 H ASP A 47 -1.240 3.940 8.209 1.00 52.12 H new ATOM 0 HA ASP A 47 0.116 1.501 8.038 1.00 43.42 H new ATOM 0 HB2 ASP A 47 -1.119 3.205 10.141 1.00 23.21 H new ATOM 0 HB3 ASP A 47 -0.952 1.513 10.568 1.00 23.21 H new ATOM 664 N GLN A 48 -3.142 1.250 8.398 1.00 24.23 N ATOM 665 CA GLN A 48 -4.263 0.320 8.333 1.00 3.50 C ATOM 666 C GLN A 48 -4.785 0.197 6.905 1.00 35.25 C ATOM 667 O GLN A 48 -5.825 -0.417 6.667 1.00 1.33 O ATOM 668 CB GLN A 48 -5.387 0.778 9.263 1.00 14.04 C ATOM 669 CG GLN A 48 -4.937 1.004 10.696 1.00 75.54 C ATOM 670 CD GLN A 48 -4.498 2.432 10.954 1.00 5.11 C ATOM 671 OE1 GLN A 48 -3.367 2.810 10.648 1.00 52.53 O ATOM 672 NE2 GLN A 48 -5.393 3.234 11.517 1.00 25.31 N ATOM 0 H GLN A 48 -3.411 2.232 8.456 1.00 24.23 H new ATOM 0 HA GLN A 48 -3.910 -0.659 8.657 1.00 3.50 H new ATOM 0 HB2 GLN A 48 -5.814 1.703 8.875 1.00 14.04 H new ATOM 0 HB3 GLN A 48 -6.181 0.032 9.254 1.00 14.04 H new ATOM 0 HG2 GLN A 48 -5.753 0.751 11.373 1.00 75.54 H new ATOM 0 HG3 GLN A 48 -4.113 0.328 10.924 1.00 75.54 H new ATOM 0 HE21 GLN A 48 -6.319 2.878 11.754 1.00 25.31 H new ATOM 0 HE22 GLN A 48 -5.155 4.206 11.713 1.00 25.31 H new ATOM 679 N GLN A 49 -4.058 0.786 5.962 1.00 3.43 N ATOM 680 CA GLN A 49 -4.449 0.743 4.557 1.00 15.21 C ATOM 681 C GLN A 49 -3.773 -0.421 3.840 1.00 10.53 C ATOM 682 O GLN A 49 -2.559 -0.597 3.930 1.00 64.31 O ATOM 683 CB GLN A 49 -4.095 2.060 3.866 1.00 73.22 C ATOM 684 CG GLN A 49 -5.295 2.775 3.268 1.00 31.35 C ATOM 685 CD GLN A 49 -5.025 4.243 2.998 1.00 54.05 C ATOM 686 OE1 GLN A 49 -4.851 5.034 3.926 1.00 44.14 O ATOM 687 NE2 GLN A 49 -4.989 4.615 1.724 1.00 52.34 N ATOM 0 H GLN A 49 -3.195 1.299 6.144 1.00 3.43 H new ATOM 0 HA GLN A 49 -5.528 0.597 4.510 1.00 15.21 H new ATOM 0 HB2 GLN A 49 -3.611 2.720 4.586 1.00 73.22 H new ATOM 0 HB3 GLN A 49 -3.370 1.863 3.077 1.00 73.22 H new ATOM 0 HG2 GLN A 49 -5.579 2.284 2.337 1.00 31.35 H new ATOM 0 HG3 GLN A 49 -6.143 2.684 3.947 1.00 31.35 H new ATOM 0 HE21 GLN A 49 -5.139 3.926 0.987 1.00 52.34 H new ATOM 0 HE22 GLN A 49 -4.812 5.590 1.482 1.00 52.34 H new ATOM 694 N ARG A 50 -4.568 -1.212 3.126 1.00 21.11 N ATOM 695 CA ARG A 50 -4.046 -2.359 2.394 1.00 41.12 C ATOM 696 C ARG A 50 -3.702 -1.977 0.958 1.00 41.40 C ATOM 697 O ARG A 50 -4.487 -1.318 0.273 1.00 72.15 O ATOM 698 CB ARG A 50 -5.064 -3.501 2.399 1.00 31.15 C ATOM 699 CG ARG A 50 -6.437 -3.094 1.889 1.00 11.21 C ATOM 700 CD ARG A 50 -7.346 -4.301 1.712 1.00 32.44 C ATOM 701 NE ARG A 50 -7.835 -4.809 2.991 1.00 22.43 N ATOM 702 CZ ARG A 50 -8.831 -4.251 3.672 1.00 41.50 C ATOM 703 NH1 ARG A 50 -9.440 -3.173 3.198 1.00 65.01 N ATOM 704 NH2 ARG A 50 -9.219 -4.772 4.829 1.00 25.22 N ATOM 0 H ARG A 50 -5.576 -1.079 3.039 1.00 21.11 H new ATOM 0 HA ARG A 50 -3.135 -2.691 2.892 1.00 41.12 H new ATOM 0 HB2 ARG A 50 -4.685 -4.318 1.785 1.00 31.15 H new ATOM 0 HB3 ARG A 50 -5.162 -3.885 3.414 1.00 31.15 H new ATOM 0 HG2 ARG A 50 -6.893 -2.393 2.588 1.00 11.21 H new ATOM 0 HG3 ARG A 50 -6.333 -2.573 0.937 1.00 11.21 H new ATOM 0 HD2 ARG A 50 -8.193 -4.028 1.083 1.00 32.44 H new ATOM 0 HD3 ARG A 50 -6.804 -5.090 1.192 1.00 32.44 H new ATOM 0 HE ARG A 50 -7.388 -5.638 3.383 1.00 22.43 H new ATOM 0 HH11 ARG A 50 -9.145 -2.770 2.309 1.00 65.01 H new ATOM 0 HH12 ARG A 50 -10.204 -2.747 3.722 1.00 65.01 H new ATOM 0 HH21 ARG A 50 -8.753 -5.601 5.197 1.00 25.22 H new ATOM 0 HH22 ARG A 50 -9.983 -4.343 5.351 1.00 25.22 H new ATOM 715 N LEU A 51 -2.524 -2.393 0.506 1.00 71.41 N ATOM 716 CA LEU A 51 -2.075 -2.093 -0.849 1.00 41.23 C ATOM 717 C LEU A 51 -2.407 -3.240 -1.799 1.00 22.14 C ATOM 718 O LEU A 51 -1.934 -4.363 -1.621 1.00 23.14 O ATOM 719 CB LEU A 51 -0.569 -1.827 -0.861 1.00 42.52 C ATOM 720 CG LEU A 51 -0.145 -0.372 -1.069 1.00 35.53 C ATOM 721 CD1 LEU A 51 -0.500 0.465 0.151 1.00 30.12 C ATOM 722 CD2 LEU A 51 1.345 -0.287 -1.361 1.00 3.33 C ATOM 0 H LEU A 51 -1.863 -2.939 1.058 1.00 71.41 H new ATOM 0 HA LEU A 51 -2.599 -1.200 -1.189 1.00 41.23 H new ATOM 0 HB2 LEU A 51 -0.152 -2.174 0.084 1.00 42.52 H new ATOM 0 HB3 LEU A 51 -0.120 -2.431 -1.649 1.00 42.52 H new ATOM 0 HG LEU A 51 -0.686 0.026 -1.928 1.00 35.53 H new ATOM 0 HD11 LEU A 51 -0.191 1.497 -0.014 1.00 30.12 H new ATOM 0 HD12 LEU A 51 -1.577 0.430 0.315 1.00 30.12 H new ATOM 0 HD13 LEU A 51 0.014 0.068 1.027 1.00 30.12 H new ATOM 0 HD21 LEU A 51 1.628 0.755 -1.506 1.00 3.33 H new ATOM 0 HD22 LEU A 51 1.904 -0.702 -0.522 1.00 3.33 H new ATOM 0 HD23 LEU A 51 1.572 -0.854 -2.264 1.00 3.33 H new ATOM 733 N ILE A 52 -3.222 -2.948 -2.807 1.00 15.31 N ATOM 734 CA ILE A 52 -3.615 -3.954 -3.786 1.00 1.11 C ATOM 735 C ILE A 52 -3.082 -3.610 -5.173 1.00 65.31 C ATOM 736 O ILE A 52 -3.450 -2.590 -5.756 1.00 20.25 O ATOM 737 CB ILE A 52 -5.146 -4.101 -3.860 1.00 72.13 C ATOM 738 CG1 ILE A 52 -5.659 -4.917 -2.672 1.00 32.14 C ATOM 739 CG2 ILE A 52 -5.554 -4.752 -5.172 1.00 3.43 C ATOM 740 CD1 ILE A 52 -5.482 -4.223 -1.340 1.00 63.30 C ATOM 0 H ILE A 52 -3.623 -2.024 -2.967 1.00 15.31 H new ATOM 0 HA ILE A 52 -3.183 -4.899 -3.457 1.00 1.11 H new ATOM 0 HB ILE A 52 -5.594 -3.108 -3.816 1.00 72.13 H new ATOM 0 HG12 ILE A 52 -6.717 -5.135 -2.821 1.00 32.14 H new ATOM 0 HG13 ILE A 52 -5.137 -5.873 -2.646 1.00 32.14 H new ATOM 0 HG21 ILE A 52 -6.639 -4.849 -5.208 1.00 3.43 H new ATOM 0 HG22 ILE A 52 -5.217 -4.135 -6.005 1.00 3.43 H new ATOM 0 HG23 ILE A 52 -5.099 -5.740 -5.245 1.00 3.43 H new ATOM 0 HD11 ILE A 52 -5.868 -4.860 -0.544 1.00 63.30 H new ATOM 0 HD12 ILE A 52 -4.423 -4.029 -1.169 1.00 63.30 H new ATOM 0 HD13 ILE A 52 -6.027 -3.279 -1.346 1.00 63.30 H new ATOM 751 N PHE A 53 -2.212 -4.467 -5.696 1.00 30.25 N ATOM 752 CA PHE A 53 -1.628 -4.254 -7.016 1.00 30.42 C ATOM 753 C PHE A 53 -1.843 -5.472 -7.909 1.00 12.30 C ATOM 754 O PHE A 53 -1.426 -6.581 -7.575 1.00 23.14 O ATOM 755 CB PHE A 53 -0.132 -3.956 -6.892 1.00 71.02 C ATOM 756 CG PHE A 53 0.592 -3.968 -8.208 1.00 34.24 C ATOM 757 CD1 PHE A 53 0.013 -3.412 -9.337 1.00 4.41 C ATOM 758 CD2 PHE A 53 1.852 -4.535 -8.315 1.00 15.04 C ATOM 759 CE1 PHE A 53 0.677 -3.424 -10.550 1.00 34.14 C ATOM 760 CE2 PHE A 53 2.520 -4.548 -9.525 1.00 45.43 C ATOM 761 CZ PHE A 53 1.932 -3.991 -10.643 1.00 63.24 C ATOM 0 H PHE A 53 -1.895 -5.315 -5.227 1.00 30.25 H new ATOM 0 HA PHE A 53 -2.126 -3.399 -7.473 1.00 30.42 H new ATOM 0 HB2 PHE A 53 -0.001 -2.981 -6.423 1.00 71.02 H new ATOM 0 HB3 PHE A 53 0.323 -4.692 -6.229 1.00 71.02 H new ATOM 0 HD1 PHE A 53 -0.968 -2.964 -9.269 1.00 4.41 H new ATOM 0 HD2 PHE A 53 2.317 -4.971 -7.443 1.00 15.04 H new ATOM 0 HE1 PHE A 53 0.214 -2.990 -11.424 1.00 34.14 H new ATOM 0 HE2 PHE A 53 3.501 -4.994 -9.596 1.00 45.43 H new ATOM 0 HZ PHE A 53 2.453 -3.999 -11.589 1.00 63.24 H new ATOM 770 N ALA A 54 -2.499 -5.257 -9.044 1.00 3.24 N ATOM 771 CA ALA A 54 -2.768 -6.336 -9.987 1.00 10.35 C ATOM 772 C ALA A 54 -3.469 -7.503 -9.299 1.00 63.10 C ATOM 773 O ALA A 54 -3.285 -8.659 -9.677 1.00 13.20 O ATOM 774 CB ALA A 54 -1.475 -6.803 -10.638 1.00 12.41 C ATOM 0 H ALA A 54 -2.854 -4.346 -9.333 1.00 3.24 H new ATOM 0 HA ALA A 54 -3.432 -5.952 -10.761 1.00 10.35 H new ATOM 0 HB1 ALA A 54 -1.691 -7.609 -11.340 1.00 12.41 H new ATOM 0 HB2 ALA A 54 -1.015 -5.971 -11.171 1.00 12.41 H new ATOM 0 HB3 ALA A 54 -0.791 -7.164 -9.870 1.00 12.41 H new ATOM 780 N GLY A 55 -4.272 -7.192 -8.287 1.00 42.05 N ATOM 781 CA GLY A 55 -4.986 -8.226 -7.562 1.00 0.11 C ATOM 782 C GLY A 55 -4.097 -8.970 -6.585 1.00 61.31 C ATOM 783 O GLY A 55 -4.387 -10.106 -6.211 1.00 34.31 O ATOM 0 H GLY A 55 -4.441 -6.242 -7.956 1.00 42.05 H new ATOM 0 HA2 GLY A 55 -5.819 -7.777 -7.021 1.00 0.11 H new ATOM 0 HA3 GLY A 55 -5.413 -8.934 -8.272 1.00 0.11 H new ATOM 787 N LYS A 56 -3.009 -8.329 -6.173 1.00 73.43 N ATOM 788 CA LYS A 56 -2.073 -8.936 -5.234 1.00 42.21 C ATOM 789 C LYS A 56 -1.688 -7.952 -4.135 1.00 22.22 C ATOM 790 O LYS A 56 -1.407 -6.784 -4.406 1.00 13.31 O ATOM 791 CB LYS A 56 -0.817 -9.412 -5.969 1.00 14.12 C ATOM 792 CG LYS A 56 -0.019 -10.450 -5.200 1.00 3.33 C ATOM 793 CD LYS A 56 -0.282 -11.853 -5.721 1.00 73.21 C ATOM 794 CE LYS A 56 0.398 -12.089 -7.060 1.00 21.02 C ATOM 795 NZ LYS A 56 1.870 -12.248 -6.914 1.00 65.33 N ATOM 0 H LYS A 56 -2.753 -7.389 -6.475 1.00 73.43 H new ATOM 0 HA LYS A 56 -2.565 -9.793 -4.774 1.00 42.21 H new ATOM 0 HB2 LYS A 56 -1.107 -9.830 -6.933 1.00 14.12 H new ATOM 0 HB3 LYS A 56 -0.178 -8.553 -6.173 1.00 14.12 H new ATOM 0 HG2 LYS A 56 1.045 -10.225 -5.279 1.00 3.33 H new ATOM 0 HG3 LYS A 56 -0.278 -10.399 -4.142 1.00 3.33 H new ATOM 0 HD2 LYS A 56 0.076 -12.584 -4.996 1.00 73.21 H new ATOM 0 HD3 LYS A 56 -1.356 -12.008 -5.825 1.00 73.21 H new ATOM 0 HE2 LYS A 56 -0.019 -12.981 -7.527 1.00 21.02 H new ATOM 0 HE3 LYS A 56 0.187 -11.253 -7.727 1.00 21.02 H new ATOM 0 HZ1 LYS A 56 2.275 -12.573 -7.815 1.00 65.33 H new ATOM 0 HZ2 LYS A 56 2.294 -11.335 -6.653 1.00 65.33 H new ATOM 0 HZ3 LYS A 56 2.072 -12.948 -6.171 1.00 65.33 H new ATOM 805 N GLN A 57 -1.677 -8.430 -2.895 1.00 35.31 N ATOM 806 CA GLN A 57 -1.326 -7.590 -1.756 1.00 61.33 C ATOM 807 C GLN A 57 0.180 -7.603 -1.513 1.00 73.12 C ATOM 808 O GLN A 57 0.849 -8.608 -1.755 1.00 62.45 O ATOM 809 CB GLN A 57 -2.061 -8.063 -0.500 1.00 42.32 C ATOM 810 CG GLN A 57 -1.560 -7.415 0.780 1.00 24.53 C ATOM 811 CD GLN A 57 -0.406 -8.172 1.405 1.00 53.50 C ATOM 812 OE1 GLN A 57 0.004 -9.222 0.909 1.00 44.13 O ATOM 813 NE2 GLN A 57 0.125 -7.643 2.501 1.00 74.25 N ATOM 0 H GLN A 57 -1.907 -9.394 -2.654 1.00 35.31 H new ATOM 0 HA GLN A 57 -1.630 -6.568 -1.983 1.00 61.33 H new ATOM 0 HB2 GLN A 57 -3.125 -7.853 -0.611 1.00 42.32 H new ATOM 0 HB3 GLN A 57 -1.957 -9.145 -0.414 1.00 42.32 H new ATOM 0 HG2 GLN A 57 -1.246 -6.393 0.566 1.00 24.53 H new ATOM 0 HG3 GLN A 57 -2.379 -7.353 1.496 1.00 24.53 H new ATOM 0 HE21 GLN A 57 -0.246 -6.771 2.878 1.00 74.25 H new ATOM 0 HE22 GLN A 57 0.904 -8.109 2.966 1.00 74.25 H new ATOM 820 N LEU A 58 0.706 -6.481 -1.034 1.00 11.31 N ATOM 821 CA LEU A 58 2.134 -6.364 -0.758 1.00 22.02 C ATOM 822 C LEU A 58 2.376 -5.639 0.562 1.00 72.20 C ATOM 823 O LEU A 58 1.434 -5.321 1.287 1.00 33.44 O ATOM 824 CB LEU A 58 2.833 -5.619 -1.897 1.00 11.42 C ATOM 825 CG LEU A 58 2.282 -4.233 -2.231 1.00 63.53 C ATOM 826 CD1 LEU A 58 3.367 -3.360 -2.844 1.00 74.54 C ATOM 827 CD2 LEU A 58 1.091 -4.343 -3.170 1.00 42.50 C ATOM 0 H LEU A 58 0.166 -5.640 -0.829 1.00 11.31 H new ATOM 0 HA LEU A 58 2.548 -7.369 -0.680 1.00 22.02 H new ATOM 0 HB2 LEU A 58 3.888 -5.517 -1.644 1.00 11.42 H new ATOM 0 HB3 LEU A 58 2.779 -6.235 -2.794 1.00 11.42 H new ATOM 0 HG LEU A 58 1.947 -3.765 -1.305 1.00 63.53 H new ATOM 0 HD11 LEU A 58 2.956 -2.377 -3.075 1.00 74.54 H new ATOM 0 HD12 LEU A 58 4.190 -3.252 -2.137 1.00 74.54 H new ATOM 0 HD13 LEU A 58 3.734 -3.824 -3.759 1.00 74.54 H new ATOM 0 HD21 LEU A 58 0.713 -3.346 -3.396 1.00 42.50 H new ATOM 0 HD22 LEU A 58 1.400 -4.832 -4.094 1.00 42.50 H new ATOM 0 HD23 LEU A 58 0.305 -4.930 -2.694 1.00 42.50 H new ATOM 838 N GLU A 59 3.644 -5.380 0.865 1.00 72.24 N ATOM 839 CA GLU A 59 4.008 -4.692 2.098 1.00 33.31 C ATOM 840 C GLU A 59 4.134 -3.189 1.865 1.00 61.52 C ATOM 841 O GLU A 59 3.724 -2.675 0.824 1.00 73.12 O ATOM 842 CB GLU A 59 5.324 -5.246 2.647 1.00 72.44 C ATOM 843 CG GLU A 59 5.362 -6.763 2.725 1.00 0.13 C ATOM 844 CD GLU A 59 6.172 -7.268 3.902 1.00 72.42 C ATOM 845 OE1 GLU A 59 7.407 -7.085 3.897 1.00 3.42 O ATOM 846 OE2 GLU A 59 5.569 -7.846 4.831 1.00 21.12 O ATOM 0 H GLU A 59 4.435 -5.636 0.275 1.00 72.24 H new ATOM 0 HA GLU A 59 3.217 -4.864 2.828 1.00 33.31 H new ATOM 0 HB2 GLU A 59 6.144 -4.903 2.016 1.00 72.44 H new ATOM 0 HB3 GLU A 59 5.494 -4.835 3.642 1.00 72.44 H new ATOM 0 HG2 GLU A 59 4.344 -7.144 2.800 1.00 0.13 H new ATOM 0 HG3 GLU A 59 5.784 -7.160 1.802 1.00 0.13 H new ATOM 851 N ASP A 60 4.703 -2.490 2.842 1.00 11.43 N ATOM 852 CA ASP A 60 4.883 -1.047 2.744 1.00 23.23 C ATOM 853 C ASP A 60 6.111 -0.598 3.531 1.00 60.22 C ATOM 854 O ASP A 60 6.617 -1.330 4.381 1.00 2.13 O ATOM 855 CB ASP A 60 3.639 -0.320 3.257 1.00 71.23 C ATOM 856 CG ASP A 60 2.916 0.435 2.160 1.00 1.13 C ATOM 857 OD1 ASP A 60 3.021 0.021 0.986 1.00 14.13 O ATOM 858 OD2 ASP A 60 2.244 1.438 2.474 1.00 31.44 O ATOM 0 H ASP A 60 5.047 -2.900 3.710 1.00 11.43 H new ATOM 0 HA ASP A 60 5.034 -0.795 1.694 1.00 23.23 H new ATOM 0 HB2 ASP A 60 2.958 -1.043 3.706 1.00 71.23 H new ATOM 0 HB3 ASP A 60 3.928 0.377 4.044 1.00 71.23 H new ATOM 862 N GLY A 61 6.586 0.609 3.240 1.00 34.52 N ATOM 863 CA GLY A 61 7.751 1.134 3.928 1.00 75.23 C ATOM 864 C GLY A 61 8.901 1.420 2.984 1.00 23.43 C ATOM 865 O GLY A 61 9.521 2.482 3.055 1.00 24.14 O ATOM 0 H GLY A 61 6.185 1.233 2.540 1.00 34.52 H new ATOM 0 HA2 GLY A 61 7.478 2.050 4.451 1.00 75.23 H new ATOM 0 HA3 GLY A 61 8.075 0.419 4.685 1.00 75.23 H new ATOM 869 N ARG A 62 9.189 0.473 2.099 1.00 3.45 N ATOM 870 CA ARG A 62 10.275 0.628 1.138 1.00 54.10 C ATOM 871 C ARG A 62 9.787 1.331 -0.126 1.00 35.14 C ATOM 872 O ARG A 62 8.583 1.441 -0.362 1.00 25.12 O ATOM 873 CB ARG A 62 10.865 -0.736 0.779 1.00 61.24 C ATOM 874 CG ARG A 62 11.967 -1.190 1.724 1.00 42.10 C ATOM 875 CD ARG A 62 12.715 -2.393 1.170 1.00 25.01 C ATOM 876 NE ARG A 62 13.999 -2.593 1.837 1.00 55.14 N ATOM 877 CZ ARG A 62 14.121 -3.115 3.052 1.00 71.24 C ATOM 878 NH1 ARG A 62 13.043 -3.487 3.730 1.00 44.22 N ATOM 879 NH2 ARG A 62 15.324 -3.267 3.593 1.00 20.32 N ATOM 0 H ARG A 62 8.685 -0.411 2.027 1.00 3.45 H new ATOM 0 HA ARG A 62 11.049 1.242 1.599 1.00 54.10 H new ATOM 0 HB2 ARG A 62 10.068 -1.479 0.780 1.00 61.24 H new ATOM 0 HB3 ARG A 62 11.262 -0.696 -0.236 1.00 61.24 H new ATOM 0 HG2 ARG A 62 12.666 -0.370 1.890 1.00 42.10 H new ATOM 0 HG3 ARG A 62 11.536 -1.443 2.693 1.00 42.10 H new ATOM 0 HD2 ARG A 62 12.102 -3.287 1.288 1.00 25.01 H new ATOM 0 HD3 ARG A 62 12.879 -2.257 0.101 1.00 25.01 H new ATOM 0 HE ARG A 62 14.848 -2.317 1.343 1.00 55.14 H new ATOM 0 HH11 ARG A 62 12.117 -3.372 3.318 1.00 44.22 H new ATOM 0 HH12 ARG A 62 13.140 -3.888 4.663 1.00 44.22 H new ATOM 0 HH21 ARG A 62 16.156 -2.983 3.075 1.00 20.32 H new ATOM 0 HH22 ARG A 62 15.417 -3.668 4.526 1.00 20.32 H new ATOM 890 N THR A 63 10.729 1.805 -0.934 1.00 11.13 N ATOM 891 CA THR A 63 10.395 2.498 -2.172 1.00 63.22 C ATOM 892 C THR A 63 10.021 1.511 -3.272 1.00 55.11 C ATOM 893 O THR A 63 10.383 0.335 -3.214 1.00 13.42 O ATOM 894 CB THR A 63 11.567 3.371 -2.660 1.00 41.33 C ATOM 895 OG1 THR A 63 12.779 2.607 -2.665 1.00 70.51 O ATOM 896 CG2 THR A 63 11.736 4.595 -1.773 1.00 63.24 C ATOM 0 H THR A 63 11.729 1.722 -0.754 1.00 11.13 H new ATOM 0 HA THR A 63 9.539 3.137 -1.955 1.00 63.22 H new ATOM 0 HB THR A 63 11.345 3.705 -3.674 1.00 41.33 H new ATOM 0 HG1 THR A 63 13.519 3.169 -2.978 1.00 70.51 H new ATOM 0 HG21 THR A 63 12.569 5.196 -2.137 1.00 63.24 H new ATOM 0 HG22 THR A 63 10.823 5.190 -1.796 1.00 63.24 H new ATOM 0 HG23 THR A 63 11.937 4.278 -0.750 1.00 63.24 H new ATOM 904 N LEU A 64 9.294 1.995 -4.272 1.00 30.22 N ATOM 905 CA LEU A 64 8.869 1.155 -5.387 1.00 65.43 C ATOM 906 C LEU A 64 10.073 0.641 -6.170 1.00 5.35 C ATOM 907 O LEU A 64 10.137 -0.534 -6.529 1.00 72.04 O ATOM 908 CB LEU A 64 7.939 1.937 -6.315 1.00 13.52 C ATOM 909 CG LEU A 64 6.916 2.844 -5.631 1.00 21.44 C ATOM 910 CD1 LEU A 64 6.001 3.490 -6.661 1.00 61.22 C ATOM 911 CD2 LEU A 64 6.104 2.060 -4.611 1.00 70.03 C ATOM 0 H LEU A 64 8.986 2.965 -4.334 1.00 30.22 H new ATOM 0 HA LEU A 64 8.330 0.299 -4.981 1.00 65.43 H new ATOM 0 HB2 LEU A 64 8.551 2.548 -6.978 1.00 13.52 H new ATOM 0 HB3 LEU A 64 7.402 1.225 -6.942 1.00 13.52 H new ATOM 0 HG LEU A 64 7.454 3.634 -5.107 1.00 21.44 H new ATOM 0 HD11 LEU A 64 5.280 4.132 -6.155 1.00 61.22 H new ATOM 0 HD12 LEU A 64 6.596 4.087 -7.352 1.00 61.22 H new ATOM 0 HD13 LEU A 64 5.471 2.715 -7.214 1.00 61.22 H new ATOM 0 HD21 LEU A 64 5.381 2.722 -4.135 1.00 70.03 H new ATOM 0 HD22 LEU A 64 5.577 1.248 -5.112 1.00 70.03 H new ATOM 0 HD23 LEU A 64 6.771 1.647 -3.855 1.00 70.03 H new ATOM 922 N SER A 65 11.027 1.530 -6.431 1.00 13.11 N ATOM 923 CA SER A 65 12.228 1.168 -7.173 1.00 55.44 C ATOM 924 C SER A 65 13.033 0.111 -6.421 1.00 73.40 C ATOM 925 O SER A 65 13.612 -0.789 -7.027 1.00 40.42 O ATOM 926 CB SER A 65 13.093 2.404 -7.420 1.00 65.42 C ATOM 927 OG SER A 65 14.136 2.122 -8.338 1.00 63.54 O ATOM 0 H SER A 65 10.991 2.507 -6.139 1.00 13.11 H new ATOM 0 HA SER A 65 11.921 0.752 -8.132 1.00 55.44 H new ATOM 0 HB2 SER A 65 12.474 3.214 -7.806 1.00 65.42 H new ATOM 0 HB3 SER A 65 13.518 2.749 -6.477 1.00 65.42 H new ATOM 0 HG SER A 65 14.674 2.929 -8.480 1.00 63.54 H new ATOM 932 N GLU A 66 13.063 0.231 -5.098 1.00 55.24 N ATOM 933 CA GLU A 66 13.797 -0.714 -4.263 1.00 70.41 C ATOM 934 C GLU A 66 13.048 -2.038 -4.151 1.00 3.21 C ATOM 935 O GLU A 66 13.659 -3.103 -4.057 1.00 31.22 O ATOM 936 CB GLU A 66 14.025 -0.125 -2.869 1.00 62.43 C ATOM 937 CG GLU A 66 15.132 0.915 -2.820 1.00 11.43 C ATOM 938 CD GLU A 66 16.512 0.306 -2.976 1.00 10.30 C ATOM 939 OE1 GLU A 66 16.740 -0.793 -2.427 1.00 23.34 O ATOM 940 OE2 GLU A 66 17.363 0.926 -3.647 1.00 1.11 O ATOM 0 H GLU A 66 12.589 0.972 -4.581 1.00 55.24 H new ATOM 0 HA GLU A 66 14.762 -0.902 -4.734 1.00 70.41 H new ATOM 0 HB2 GLU A 66 13.097 0.328 -2.519 1.00 62.43 H new ATOM 0 HB3 GLU A 66 14.266 -0.933 -2.178 1.00 62.43 H new ATOM 0 HG2 GLU A 66 14.971 1.649 -3.610 1.00 11.43 H new ATOM 0 HG3 GLU A 66 15.080 1.451 -1.872 1.00 11.43 H new ATOM 945 N TYR A 67 11.722 -1.964 -4.161 1.00 21.42 N ATOM 946 CA TYR A 67 10.888 -3.156 -4.058 1.00 64.04 C ATOM 947 C TYR A 67 10.686 -3.799 -5.427 1.00 3.13 C ATOM 948 O TYR A 67 10.115 -4.883 -5.538 1.00 75.32 O ATOM 949 CB TYR A 67 9.533 -2.804 -3.443 1.00 35.30 C ATOM 950 CG TYR A 67 9.044 -3.820 -2.435 1.00 33.41 C ATOM 951 CD1 TYR A 67 8.521 -5.040 -2.846 1.00 21.22 C ATOM 952 CD2 TYR A 67 9.104 -3.560 -1.072 1.00 51.01 C ATOM 953 CE1 TYR A 67 8.073 -5.971 -1.930 1.00 71.25 C ATOM 954 CE2 TYR A 67 8.659 -4.485 -0.147 1.00 41.12 C ATOM 955 CZ TYR A 67 8.145 -5.689 -0.581 1.00 13.33 C ATOM 956 OH TYR A 67 7.699 -6.613 0.336 1.00 24.32 O ATOM 0 H TYR A 67 11.201 -1.091 -4.239 1.00 21.42 H new ATOM 0 HA TYR A 67 11.398 -3.871 -3.412 1.00 64.04 H new ATOM 0 HB2 TYR A 67 9.605 -1.830 -2.959 1.00 35.30 H new ATOM 0 HB3 TYR A 67 8.795 -2.710 -4.240 1.00 35.30 H new ATOM 0 HD1 TYR A 67 8.464 -5.264 -3.901 1.00 21.22 H new ATOM 0 HD2 TYR A 67 9.506 -2.618 -0.729 1.00 51.01 H new ATOM 0 HE1 TYR A 67 7.669 -6.914 -2.267 1.00 71.25 H new ATOM 0 HE2 TYR A 67 8.713 -4.267 0.909 1.00 41.12 H new ATOM 0 HH TYR A 67 7.821 -6.260 1.242 1.00 24.32 H new ATOM 965 N ASN A 68 11.161 -3.122 -6.468 1.00 21.44 N ATOM 966 CA ASN A 68 11.033 -3.626 -7.831 1.00 72.53 C ATOM 967 C ASN A 68 9.568 -3.702 -8.247 1.00 32.24 C ATOM 968 O ASN A 68 9.225 -4.354 -9.234 1.00 44.35 O ATOM 969 CB ASN A 68 11.680 -5.008 -7.947 1.00 25.42 C ATOM 970 CG ASN A 68 13.011 -5.086 -7.226 1.00 75.44 C ATOM 971 OD1 ASN A 68 13.273 -6.032 -6.482 1.00 2.34 O ATOM 972 ND2 ASN A 68 13.861 -4.088 -7.441 1.00 54.11 N ATOM 0 H ASN A 68 11.638 -2.223 -6.394 1.00 21.44 H new ATOM 0 HA ASN A 68 11.546 -2.934 -8.499 1.00 72.53 H new ATOM 0 HB2 ASN A 68 11.004 -5.758 -7.537 1.00 25.42 H new ATOM 0 HB3 ASN A 68 11.825 -5.251 -9.000 1.00 25.42 H new ATOM 0 HD21 ASN A 68 14.772 -4.086 -6.982 1.00 54.11 H new ATOM 0 HD22 ASN A 68 13.603 -3.324 -8.065 1.00 54.11 H new ATOM 978 N ILE A 69 8.707 -3.030 -7.490 1.00 31.03 N ATOM 979 CA ILE A 69 7.280 -3.019 -7.781 1.00 15.43 C ATOM 980 C ILE A 69 6.904 -1.820 -8.646 1.00 31.10 C ATOM 981 O ILE A 69 7.641 -0.838 -8.713 1.00 3.43 O ATOM 982 CB ILE A 69 6.440 -2.990 -6.490 1.00 61.52 C ATOM 983 CG1 ILE A 69 6.655 -1.670 -5.746 1.00 1.31 C ATOM 984 CG2 ILE A 69 6.799 -4.170 -5.599 1.00 14.42 C ATOM 985 CD1 ILE A 69 5.795 -1.526 -4.511 1.00 75.34 C ATOM 0 H ILE A 69 8.974 -2.486 -6.670 1.00 31.03 H new ATOM 0 HA ILE A 69 7.063 -3.939 -8.324 1.00 15.43 H new ATOM 0 HB ILE A 69 5.386 -3.068 -6.757 1.00 61.52 H new ATOM 0 HG12 ILE A 69 7.704 -1.590 -5.460 1.00 1.31 H new ATOM 0 HG13 ILE A 69 6.445 -0.842 -6.423 1.00 1.31 H new ATOM 0 HG21 ILE A 69 6.198 -4.136 -4.691 1.00 14.42 H new ATOM 0 HG22 ILE A 69 6.601 -5.101 -6.131 1.00 14.42 H new ATOM 0 HG23 ILE A 69 7.856 -4.119 -5.337 1.00 14.42 H new ATOM 0 HD11 ILE A 69 6.000 -0.567 -4.035 1.00 75.34 H new ATOM 0 HD12 ILE A 69 4.743 -1.574 -4.793 1.00 75.34 H new ATOM 0 HD13 ILE A 69 6.021 -2.333 -3.814 1.00 75.34 H new ATOM 996 N GLN A 70 5.751 -1.909 -9.303 1.00 74.40 N ATOM 997 CA GLN A 70 5.277 -0.830 -10.161 1.00 53.32 C ATOM 998 C GLN A 70 4.598 0.261 -9.339 1.00 2.44 C ATOM 999 O GLN A 70 5.194 1.299 -9.053 1.00 33.12 O ATOM 1000 CB GLN A 70 4.307 -1.374 -11.211 1.00 75.21 C ATOM 1001 CG GLN A 70 4.972 -2.254 -12.257 1.00 22.31 C ATOM 1002 CD GLN A 70 4.175 -2.335 -13.543 1.00 0.25 C ATOM 1003 OE1 GLN A 70 3.676 -3.398 -13.912 1.00 51.21 O ATOM 1004 NE2 GLN A 70 4.051 -1.208 -14.235 1.00 11.03 N ATOM 0 H GLN A 70 5.129 -2.716 -9.257 1.00 74.40 H new ATOM 0 HA GLN A 70 6.140 -0.395 -10.665 1.00 53.32 H new ATOM 0 HB2 GLN A 70 3.526 -1.946 -10.710 1.00 75.21 H new ATOM 0 HB3 GLN A 70 3.818 -0.537 -11.710 1.00 75.21 H new ATOM 0 HG2 GLN A 70 5.967 -1.865 -12.474 1.00 22.31 H new ATOM 0 HG3 GLN A 70 5.104 -3.257 -11.852 1.00 22.31 H new ATOM 0 HE21 GLN A 70 4.481 -0.349 -13.892 1.00 11.03 H new ATOM 0 HE22 GLN A 70 3.526 -1.202 -15.109 1.00 11.03 H new ATOM 1011 N LYS A 71 3.347 0.019 -8.964 1.00 12.05 N ATOM 1012 CA LYS A 71 2.584 0.979 -8.175 1.00 44.12 C ATOM 1013 C LYS A 71 2.630 2.365 -8.812 1.00 62.11 C ATOM 1014 O LYS A 71 2.514 3.378 -8.124 1.00 73.11 O ATOM 1015 CB LYS A 71 3.131 1.045 -6.747 1.00 13.42 C ATOM 1016 CG LYS A 71 2.191 1.727 -5.767 1.00 44.50 C ATOM 1017 CD LYS A 71 2.956 2.532 -4.730 1.00 40.21 C ATOM 1018 CE LYS A 71 2.014 3.288 -3.807 1.00 73.40 C ATOM 1019 NZ LYS A 71 1.686 4.641 -4.337 1.00 33.32 N ATOM 0 H LYS A 71 2.839 -0.835 -9.194 1.00 12.05 H new ATOM 0 HA LYS A 71 1.547 0.645 -8.146 1.00 44.12 H new ATOM 0 HB2 LYS A 71 3.335 0.033 -6.398 1.00 13.42 H new ATOM 0 HB3 LYS A 71 4.082 1.577 -6.755 1.00 13.42 H new ATOM 0 HG2 LYS A 71 1.511 2.384 -6.310 1.00 44.50 H new ATOM 0 HG3 LYS A 71 1.578 0.977 -5.267 1.00 44.50 H new ATOM 0 HD2 LYS A 71 3.586 1.865 -4.142 1.00 40.21 H new ATOM 0 HD3 LYS A 71 3.619 3.237 -5.231 1.00 40.21 H new ATOM 0 HE2 LYS A 71 1.095 2.716 -3.678 1.00 73.40 H new ATOM 0 HE3 LYS A 71 2.470 3.385 -2.822 1.00 73.40 H new ATOM 0 HZ1 LYS A 71 1.834 5.351 -3.592 1.00 33.32 H new ATOM 0 HZ2 LYS A 71 2.302 4.855 -5.147 1.00 33.32 H new ATOM 0 HZ3 LYS A 71 0.692 4.662 -4.643 1.00 33.32 H new ATOM 1029 N GLU A 72 2.799 2.400 -10.130 1.00 3.30 N ATOM 1030 CA GLU A 72 2.859 3.662 -10.859 1.00 41.10 C ATOM 1031 C GLU A 72 1.864 3.670 -12.016 1.00 74.15 C ATOM 1032 O GLU A 72 2.054 4.375 -13.006 1.00 11.55 O ATOM 1033 CB GLU A 72 4.274 3.904 -11.387 1.00 44.43 C ATOM 1034 CG GLU A 72 4.748 2.844 -12.368 1.00 15.05 C ATOM 1035 CD GLU A 72 6.172 3.075 -12.833 1.00 51.32 C ATOM 1036 OE1 GLU A 72 6.797 4.051 -12.371 1.00 23.50 O ATOM 1037 OE2 GLU A 72 6.662 2.276 -13.660 1.00 62.11 O ATOM 0 H GLU A 72 2.897 1.570 -10.715 1.00 3.30 H new ATOM 0 HA GLU A 72 2.594 4.464 -10.170 1.00 41.10 H new ATOM 0 HB2 GLU A 72 4.309 4.879 -11.873 1.00 44.43 H new ATOM 0 HB3 GLU A 72 4.965 3.943 -10.545 1.00 44.43 H new ATOM 0 HG2 GLU A 72 4.678 1.863 -11.899 1.00 15.05 H new ATOM 0 HG3 GLU A 72 4.085 2.832 -13.233 1.00 15.05 H new ATOM 1042 N SER A 73 0.803 2.881 -11.881 1.00 13.12 N ATOM 1043 CA SER A 73 -0.222 2.794 -12.916 1.00 44.25 C ATOM 1044 C SER A 73 -1.616 2.780 -12.300 1.00 11.23 C ATOM 1045 O SER A 73 -2.320 3.791 -12.303 1.00 3.30 O ATOM 1046 CB SER A 73 -0.013 1.537 -13.764 1.00 44.15 C ATOM 1047 OG SER A 73 0.860 1.794 -14.850 1.00 3.31 O ATOM 0 H SER A 73 0.630 2.293 -11.066 1.00 13.12 H new ATOM 0 HA SER A 73 -0.136 3.673 -13.554 1.00 44.25 H new ATOM 0 HB2 SER A 73 0.398 0.740 -13.144 1.00 44.15 H new ATOM 0 HB3 SER A 73 -0.973 1.185 -14.141 1.00 44.15 H new ATOM 0 HG SER A 73 0.979 0.975 -15.375 1.00 3.31 H new ATOM 1052 N THR A 74 -2.012 1.626 -11.773 1.00 74.45 N ATOM 1053 CA THR A 74 -3.324 1.478 -11.154 1.00 74.44 C ATOM 1054 C THR A 74 -3.225 0.735 -9.826 1.00 12.22 C ATOM 1055 O THR A 74 -2.986 -0.472 -9.796 1.00 53.43 O ATOM 1056 CB THR A 74 -4.300 0.726 -12.078 1.00 23.23 C ATOM 1057 OG1 THR A 74 -3.846 0.801 -13.434 1.00 72.20 O ATOM 1058 CG2 THR A 74 -5.701 1.310 -11.974 1.00 13.10 C ATOM 0 H THR A 74 -1.443 0.780 -11.762 1.00 74.45 H new ATOM 0 HA THR A 74 -3.705 2.484 -10.977 1.00 74.44 H new ATOM 0 HB THR A 74 -4.334 -0.317 -11.764 1.00 23.23 H new ATOM 0 HG1 THR A 74 -4.471 0.319 -14.015 1.00 72.20 H new ATOM 0 HG21 THR A 74 -6.373 0.763 -12.635 1.00 13.10 H new ATOM 0 HG22 THR A 74 -6.055 1.226 -10.947 1.00 13.10 H new ATOM 0 HG23 THR A 74 -5.680 2.360 -12.266 1.00 13.10 H new ATOM 1066 N LEU A 75 -3.411 1.463 -8.731 1.00 34.31 N ATOM 1067 CA LEU A 75 -3.343 0.873 -7.398 1.00 14.51 C ATOM 1068 C LEU A 75 -4.537 1.301 -6.551 1.00 1.02 C ATOM 1069 O LEU A 75 -4.886 2.481 -6.505 1.00 21.32 O ATOM 1070 CB LEU A 75 -2.041 1.275 -6.706 1.00 24.01 C ATOM 1071 CG LEU A 75 -1.005 0.165 -6.527 1.00 60.11 C ATOM 1072 CD1 LEU A 75 -1.355 -0.704 -5.329 1.00 74.10 C ATOM 1073 CD2 LEU A 75 -0.904 -0.680 -7.788 1.00 14.33 C ATOM 0 H LEU A 75 -3.610 2.463 -8.739 1.00 34.31 H new ATOM 0 HA LEU A 75 -3.369 -0.211 -7.506 1.00 14.51 H new ATOM 0 HB2 LEU A 75 -1.584 2.083 -7.278 1.00 24.01 H new ATOM 0 HB3 LEU A 75 -2.285 1.679 -5.723 1.00 24.01 H new ATOM 0 HG LEU A 75 -0.035 0.627 -6.345 1.00 60.11 H new ATOM 0 HD11 LEU A 75 -0.606 -1.488 -5.217 1.00 74.10 H new ATOM 0 HD12 LEU A 75 -1.375 -0.091 -4.428 1.00 74.10 H new ATOM 0 HD13 LEU A 75 -2.335 -1.157 -5.482 1.00 74.10 H new ATOM 0 HD21 LEU A 75 -0.162 -1.465 -7.642 1.00 14.33 H new ATOM 0 HD22 LEU A 75 -1.873 -1.132 -8.002 1.00 14.33 H new ATOM 0 HD23 LEU A 75 -0.605 -0.050 -8.625 1.00 14.33 H new ATOM 1084 N HIS A 76 -5.158 0.336 -5.881 1.00 50.12 N ATOM 1085 CA HIS A 76 -6.311 0.614 -5.032 1.00 21.24 C ATOM 1086 C HIS A 76 -6.025 0.232 -3.584 1.00 50.22 C ATOM 1087 O HIS A 76 -5.997 -0.950 -3.238 1.00 62.34 O ATOM 1088 CB HIS A 76 -7.539 -0.142 -5.539 1.00 14.14 C ATOM 1089 CG HIS A 76 -7.579 -0.289 -7.030 1.00 51.13 C ATOM 1090 ND1 HIS A 76 -8.104 -1.396 -7.662 1.00 1.55 N ATOM 1091 CD2 HIS A 76 -7.157 0.539 -8.013 1.00 32.30 C ATOM 1092 CE1 HIS A 76 -8.001 -1.243 -8.971 1.00 33.03 C ATOM 1093 NE2 HIS A 76 -7.430 -0.076 -9.209 1.00 23.44 N ATOM 0 H HIS A 76 -4.882 -0.646 -5.909 1.00 50.12 H new ATOM 0 HA HIS A 76 -6.511 1.685 -5.073 1.00 21.24 H new ATOM 0 HB2 HIS A 76 -7.559 -1.132 -5.084 1.00 14.14 H new ATOM 0 HB3 HIS A 76 -8.438 0.379 -5.209 1.00 14.14 H new ATOM 0 HD1 HIS A 76 -8.509 -2.206 -7.193 1.00 1.55 H new ATOM 0 HD2 HIS A 76 -6.692 1.505 -7.881 1.00 32.30 H new ATOM 0 HE1 HIS A 76 -8.328 -1.951 -9.718 1.00 33.03 H new ATOM 1100 N LEU A 77 -5.814 1.237 -2.742 1.00 73.40 N ATOM 1101 CA LEU A 77 -5.528 1.006 -1.330 1.00 33.13 C ATOM 1102 C LEU A 77 -6.406 1.886 -0.446 1.00 11.03 C ATOM 1103 O LEU A 77 -6.116 3.065 -0.243 1.00 25.54 O ATOM 1104 CB LEU A 77 -4.052 1.278 -1.036 1.00 2.24 C ATOM 1105 CG LEU A 77 -3.517 2.636 -1.491 1.00 21.04 C ATOM 1106 CD1 LEU A 77 -2.651 3.260 -0.408 1.00 52.14 C ATOM 1107 CD2 LEU A 77 -2.732 2.493 -2.787 1.00 63.25 C ATOM 0 H LEU A 77 -5.835 2.220 -3.012 1.00 73.40 H new ATOM 0 HA LEU A 77 -5.749 -0.038 -1.106 1.00 33.13 H new ATOM 0 HB2 LEU A 77 -3.894 1.189 0.039 1.00 2.24 H new ATOM 0 HB3 LEU A 77 -3.458 0.498 -1.511 1.00 2.24 H new ATOM 0 HG LEU A 77 -4.365 3.296 -1.674 1.00 21.04 H new ATOM 0 HD11 LEU A 77 -2.280 4.226 -0.751 1.00 52.14 H new ATOM 0 HD12 LEU A 77 -3.243 3.399 0.496 1.00 52.14 H new ATOM 0 HD13 LEU A 77 -1.808 2.603 -0.192 1.00 52.14 H new ATOM 0 HD21 LEU A 77 -2.359 3.469 -3.096 1.00 63.25 H new ATOM 0 HD22 LEU A 77 -1.892 1.816 -2.631 1.00 63.25 H new ATOM 0 HD23 LEU A 77 -3.382 2.091 -3.564 1.00 63.25 H new ATOM 1118 N VAL A 78 -7.480 1.305 0.080 1.00 63.33 N ATOM 1119 CA VAL A 78 -8.397 2.035 0.946 1.00 31.54 C ATOM 1120 C VAL A 78 -8.985 1.124 2.018 1.00 61.51 C ATOM 1121 O VAL A 78 -9.246 -0.054 1.772 1.00 0.12 O ATOM 1122 CB VAL A 78 -9.547 2.668 0.139 1.00 11.50 C ATOM 1123 CG1 VAL A 78 -10.344 3.629 1.007 1.00 50.10 C ATOM 1124 CG2 VAL A 78 -9.005 3.373 -1.096 1.00 33.45 C ATOM 0 H VAL A 78 -7.736 0.331 -0.079 1.00 63.33 H new ATOM 0 HA VAL A 78 -7.819 2.826 1.423 1.00 31.54 H new ATOM 0 HB VAL A 78 -10.218 1.874 -0.189 1.00 11.50 H new ATOM 0 HG11 VAL A 78 -11.151 4.066 0.419 1.00 50.10 H new ATOM 0 HG12 VAL A 78 -10.764 3.090 1.856 1.00 50.10 H new ATOM 0 HG13 VAL A 78 -9.689 4.421 1.369 1.00 50.10 H new ATOM 0 HG21 VAL A 78 -9.830 3.814 -1.655 1.00 33.45 H new ATOM 0 HG22 VAL A 78 -8.312 4.157 -0.792 1.00 33.45 H new ATOM 0 HG23 VAL A 78 -8.484 2.653 -1.727 1.00 33.45 H new ATOM 1134 N LEU A 79 -9.190 1.678 3.208 1.00 54.25 N ATOM 1135 CA LEU A 79 -9.748 0.915 4.320 1.00 64.42 C ATOM 1136 C LEU A 79 -11.107 1.470 4.733 1.00 13.34 C ATOM 1137 O LEU A 79 -11.204 2.581 5.253 1.00 5.25 O ATOM 1138 CB LEU A 79 -8.791 0.941 5.512 1.00 41.24 C ATOM 1139 CG LEU A 79 -9.081 -0.064 6.628 1.00 73.51 C ATOM 1140 CD1 LEU A 79 -8.725 -1.474 6.184 1.00 64.30 C ATOM 1141 CD2 LEU A 79 -8.319 0.308 7.892 1.00 14.23 C ATOM 0 H LEU A 79 -8.979 2.651 3.428 1.00 54.25 H new ATOM 0 HA LEU A 79 -9.882 -0.116 3.991 1.00 64.42 H new ATOM 0 HB2 LEU A 79 -7.780 0.764 5.145 1.00 41.24 H new ATOM 0 HB3 LEU A 79 -8.803 1.943 5.941 1.00 41.24 H new ATOM 0 HG LEU A 79 -10.148 -0.034 6.849 1.00 73.51 H new ATOM 0 HD11 LEU A 79 -8.938 -2.174 6.991 1.00 64.30 H new ATOM 0 HD12 LEU A 79 -9.316 -1.740 5.308 1.00 64.30 H new ATOM 0 HD13 LEU A 79 -7.665 -1.520 5.934 1.00 64.30 H new ATOM 0 HD21 LEU A 79 -8.537 -0.418 8.675 1.00 14.23 H new ATOM 0 HD22 LEU A 79 -7.249 0.308 7.685 1.00 14.23 H new ATOM 0 HD23 LEU A 79 -8.624 1.301 8.222 1.00 14.23 H new ATOM 1152 N ARG A 80 -12.156 0.686 4.500 1.00 24.30 N ATOM 1153 CA ARG A 80 -13.510 1.099 4.849 1.00 41.24 C ATOM 1154 C ARG A 80 -13.680 2.606 4.681 1.00 51.43 C ATOM 1155 O ARG A 80 -13.922 3.326 5.650 1.00 70.22 O ATOM 1156 CB ARG A 80 -13.834 0.696 6.288 1.00 71.32 C ATOM 1157 CG ARG A 80 -12.828 1.210 7.306 1.00 44.25 C ATOM 1158 CD ARG A 80 -13.413 1.227 8.709 1.00 54.20 C ATOM 1159 NE ARG A 80 -13.327 -0.081 9.354 1.00 43.11 N ATOM 1160 CZ ARG A 80 -13.742 -0.317 10.593 1.00 51.44 C ATOM 1161 NH1 ARG A 80 -14.272 0.659 11.317 1.00 64.20 N ATOM 1162 NH2 ARG A 80 -13.630 -1.534 11.111 1.00 65.12 N ATOM 0 H ARG A 80 -12.094 -0.238 4.071 1.00 24.30 H new ATOM 0 HA ARG A 80 -14.201 0.596 4.173 1.00 41.24 H new ATOM 0 HB2 ARG A 80 -14.824 1.071 6.547 1.00 71.32 H new ATOM 0 HB3 ARG A 80 -13.878 -0.391 6.351 1.00 71.32 H new ATOM 0 HG2 ARG A 80 -11.938 0.581 7.289 1.00 44.25 H new ATOM 0 HG3 ARG A 80 -12.512 2.216 7.030 1.00 44.25 H new ATOM 0 HD2 ARG A 80 -12.885 1.964 9.313 1.00 54.20 H new ATOM 0 HD3 ARG A 80 -14.456 1.541 8.663 1.00 54.20 H new ATOM 0 HE ARG A 80 -12.926 -0.855 8.824 1.00 43.11 H new ATOM 0 HH11 ARG A 80 -14.362 1.595 10.923 1.00 64.20 H new ATOM 0 HH12 ARG A 80 -14.590 0.474 12.268 1.00 64.20 H new ATOM 0 HH21 ARG A 80 -13.225 -2.289 10.557 1.00 65.12 H new ATOM 0 HH22 ARG A 80 -13.949 -1.714 12.063 1.00 65.12 H new ATOM 1173 N LEU A 81 -13.550 3.076 3.445 1.00 1.35 N ATOM 1174 CA LEU A 81 -13.688 4.498 3.149 1.00 14.41 C ATOM 1175 C LEU A 81 -14.966 5.060 3.765 1.00 45.01 C ATOM 1176 O LEU A 81 -15.829 4.310 4.221 1.00 22.12 O ATOM 1177 CB LEU A 81 -13.696 4.726 1.637 1.00 42.52 C ATOM 1178 CG LEU A 81 -14.975 4.323 0.903 1.00 25.44 C ATOM 1179 CD1 LEU A 81 -15.454 2.960 1.374 1.00 73.21 C ATOM 1180 CD2 LEU A 81 -16.059 5.371 1.106 1.00 62.32 C ATOM 0 H LEU A 81 -13.349 2.494 2.632 1.00 1.35 H new ATOM 0 HA LEU A 81 -12.835 5.019 3.585 1.00 14.41 H new ATOM 0 HB2 LEU A 81 -13.511 5.784 1.449 1.00 42.52 H new ATOM 0 HB3 LEU A 81 -12.863 4.174 1.202 1.00 42.52 H new ATOM 0 HG LEU A 81 -14.755 4.259 -0.163 1.00 25.44 H new ATOM 0 HD11 LEU A 81 -16.365 2.690 0.840 1.00 73.21 H new ATOM 0 HD12 LEU A 81 -14.683 2.215 1.176 1.00 73.21 H new ATOM 0 HD13 LEU A 81 -15.657 2.996 2.444 1.00 73.21 H new ATOM 0 HD21 LEU A 81 -16.962 5.068 0.576 1.00 62.32 H new ATOM 0 HD22 LEU A 81 -16.277 5.468 2.170 1.00 62.32 H new ATOM 0 HD23 LEU A 81 -15.715 6.330 0.718 1.00 62.32 H new ATOM 1191 N ARG A 82 -15.079 6.385 3.773 1.00 14.23 N ATOM 1192 CA ARG A 82 -16.251 7.048 4.333 1.00 14.25 C ATOM 1193 C ARG A 82 -16.707 8.194 3.434 1.00 71.35 C ATOM 1194 O ARG A 82 -17.737 8.103 2.768 1.00 63.34 O ATOM 1195 CB ARG A 82 -15.945 7.574 5.736 1.00 24.22 C ATOM 1196 CG ARG A 82 -15.816 6.480 6.782 1.00 23.10 C ATOM 1197 CD ARG A 82 -17.137 5.761 7.003 1.00 53.10 C ATOM 1198 NE ARG A 82 -17.127 4.962 8.226 1.00 34.35 N ATOM 1199 CZ ARG A 82 -18.062 4.066 8.525 1.00 65.24 C ATOM 1200 NH1 ARG A 82 -19.073 3.855 7.694 1.00 12.33 N ATOM 1201 NH2 ARG A 82 -17.984 3.378 9.657 1.00 54.12 N ATOM 0 H ARG A 82 -14.374 7.020 3.398 1.00 14.23 H new ATOM 0 HA ARG A 82 -17.057 6.316 4.397 1.00 14.25 H new ATOM 0 HB2 ARG A 82 -15.018 8.147 5.706 1.00 24.22 H new ATOM 0 HB3 ARG A 82 -16.735 8.262 6.037 1.00 24.22 H new ATOM 0 HG2 ARG A 82 -15.058 5.762 6.468 1.00 23.10 H new ATOM 0 HG3 ARG A 82 -15.475 6.913 7.722 1.00 23.10 H new ATOM 0 HD2 ARG A 82 -17.944 6.492 7.054 1.00 53.10 H new ATOM 0 HD3 ARG A 82 -17.346 5.115 6.150 1.00 53.10 H new ATOM 0 HE ARG A 82 -16.361 5.099 8.886 1.00 34.35 H new ATOM 0 HH11 ARG A 82 -19.135 4.381 6.822 1.00 12.33 H new ATOM 0 HH12 ARG A 82 -19.789 3.167 7.926 1.00 12.33 H new ATOM 0 HH21 ARG A 82 -17.206 3.537 10.298 1.00 54.12 H new ATOM 0 HH22 ARG A 82 -18.702 2.690 9.886 1.00 54.12 H new ATOM 1212 N GLY A 83 -15.932 9.275 3.424 1.00 64.25 N ATOM 1213 CA GLY A 83 -16.272 10.424 2.607 1.00 5.44 C ATOM 1214 C GLY A 83 -15.122 11.402 2.473 1.00 21.10 C ATOM 1215 O GLY A 83 -13.970 10.998 2.308 1.00 73.21 O ATOM 0 H GLY A 83 -15.075 9.375 3.968 1.00 64.25 H new ATOM 0 HA2 GLY A 83 -16.573 10.085 1.616 1.00 5.44 H new ATOM 0 HA3 GLY A 83 -17.130 10.935 3.044 1.00 5.44 H new ATOM 1219 N TYR A 84 -15.433 12.691 2.542 1.00 44.21 N ATOM 1220 CA TYR A 84 -14.416 13.730 2.424 1.00 15.34 C ATOM 1221 C TYR A 84 -14.188 14.424 3.763 1.00 73.42 C ATOM 1222 O TYR A 84 -14.853 14.121 4.753 1.00 32.13 O ATOM 1223 CB TYR A 84 -14.828 14.758 1.368 1.00 51.42 C ATOM 1224 CG TYR A 84 -16.075 15.532 1.731 1.00 23.30 C ATOM 1225 CD1 TYR A 84 -16.003 16.673 2.522 1.00 5.51 C ATOM 1226 CD2 TYR A 84 -17.325 15.123 1.283 1.00 72.44 C ATOM 1227 CE1 TYR A 84 -17.140 17.383 2.856 1.00 62.41 C ATOM 1228 CE2 TYR A 84 -18.467 15.828 1.612 1.00 13.21 C ATOM 1229 CZ TYR A 84 -18.369 16.957 2.399 1.00 31.24 C ATOM 1230 OH TYR A 84 -19.504 17.661 2.729 1.00 14.22 O ATOM 0 H TYR A 84 -16.381 13.042 2.679 1.00 44.21 H new ATOM 0 HA TYR A 84 -13.483 13.257 2.117 1.00 15.34 H new ATOM 0 HB2 TYR A 84 -14.007 15.459 1.215 1.00 51.42 H new ATOM 0 HB3 TYR A 84 -14.991 14.247 0.419 1.00 51.42 H new ATOM 0 HD1 TYR A 84 -15.042 17.010 2.881 1.00 5.51 H new ATOM 0 HD2 TYR A 84 -17.405 14.239 0.667 1.00 72.44 H new ATOM 0 HE1 TYR A 84 -17.067 18.267 3.472 1.00 62.41 H new ATOM 0 HE2 TYR A 84 -19.431 15.497 1.255 1.00 13.21 H new ATOM 0 HH TYR A 84 -20.286 17.229 2.326 1.00 14.22 H new ATOM 1239 N ALA A 85 -13.241 15.357 3.785 1.00 23.24 N ATOM 1240 CA ALA A 85 -12.925 16.097 5.001 1.00 13.44 C ATOM 1241 C ALA A 85 -12.820 17.592 4.721 1.00 55.14 C ATOM 1242 O ALA A 85 -13.067 18.043 3.603 1.00 74.42 O ATOM 1243 CB ALA A 85 -11.632 15.579 5.612 1.00 72.22 C ATOM 0 H ALA A 85 -12.679 15.618 2.975 1.00 23.24 H new ATOM 0 HA ALA A 85 -13.736 15.944 5.713 1.00 13.44 H new ATOM 0 HB1 ALA A 85 -11.408 16.140 6.519 1.00 72.22 H new ATOM 0 HB2 ALA A 85 -11.743 14.523 5.857 1.00 72.22 H new ATOM 0 HB3 ALA A 85 -10.817 15.702 4.898 1.00 72.22 H new ATOM 1249 N ASP A 86 -12.454 18.356 5.745 1.00 40.44 N ATOM 1250 CA ASP A 86 -12.315 19.801 5.610 1.00 31.21 C ATOM 1251 C ASP A 86 -11.060 20.155 4.818 1.00 73.24 C ATOM 1252 O ASP A 86 -10.219 19.296 4.551 1.00 61.31 O ATOM 1253 CB ASP A 86 -12.268 20.462 6.989 1.00 42.54 C ATOM 1254 CG ASP A 86 -11.113 19.956 7.833 1.00 23.13 C ATOM 1255 OD1 ASP A 86 -9.950 20.217 7.461 1.00 55.13 O ATOM 1256 OD2 ASP A 86 -11.375 19.301 8.863 1.00 64.35 O ATOM 0 H ASP A 86 -12.248 17.998 6.678 1.00 40.44 H new ATOM 0 HA ASP A 86 -13.183 20.175 5.067 1.00 31.21 H new ATOM 0 HB2 ASP A 86 -12.181 21.542 6.869 1.00 42.54 H new ATOM 0 HB3 ASP A 86 -13.206 20.274 7.511 1.00 42.54 H new ATOM 1260 N LEU A 87 -10.941 21.424 4.445 1.00 63.20 N ATOM 1261 CA LEU A 87 -9.789 21.893 3.683 1.00 52.02 C ATOM 1262 C LEU A 87 -9.021 22.959 4.456 1.00 72.21 C ATOM 1263 O LEU A 87 -8.409 23.850 3.865 1.00 53.24 O ATOM 1264 CB LEU A 87 -10.239 22.450 2.332 1.00 23.42 C ATOM 1265 CG LEU A 87 -10.905 21.455 1.382 1.00 52.41 C ATOM 1266 CD1 LEU A 87 -10.121 20.153 1.338 1.00 51.45 C ATOM 1267 CD2 LEU A 87 -12.345 21.198 1.803 1.00 22.14 C ATOM 0 H LEU A 87 -11.628 22.147 4.658 1.00 63.20 H new ATOM 0 HA LEU A 87 -9.125 21.044 3.516 1.00 52.02 H new ATOM 0 HB2 LEU A 87 -10.935 23.269 2.513 1.00 23.42 H new ATOM 0 HB3 LEU A 87 -9.370 22.875 1.830 1.00 23.42 H new ATOM 0 HG LEU A 87 -10.911 21.886 0.381 1.00 52.41 H new ATOM 0 HD11 LEU A 87 -10.610 19.457 0.657 1.00 51.45 H new ATOM 0 HD12 LEU A 87 -9.107 20.350 0.989 1.00 51.45 H new ATOM 0 HD13 LEU A 87 -10.083 19.717 2.336 1.00 51.45 H new ATOM 0 HD21 LEU A 87 -12.804 20.487 1.116 1.00 22.14 H new ATOM 0 HD22 LEU A 87 -12.361 20.788 2.813 1.00 22.14 H new ATOM 0 HD23 LEU A 87 -12.903 22.134 1.782 1.00 22.14 H new ATOM 1278 N ARG A 88 -9.056 22.863 5.782 1.00 14.42 N ATOM 1279 CA ARG A 88 -8.363 23.819 6.636 1.00 55.12 C ATOM 1280 C ARG A 88 -6.858 23.568 6.622 1.00 70.34 C ATOM 1281 O ARG A 88 -6.084 24.411 6.169 1.00 52.25 O ATOM 1282 CB ARG A 88 -8.892 23.731 8.069 1.00 23.31 C ATOM 1283 CG ARG A 88 -8.708 25.013 8.865 1.00 74.33 C ATOM 1284 CD ARG A 88 -7.302 25.119 9.433 1.00 54.35 C ATOM 1285 NE ARG A 88 -7.104 26.358 10.179 1.00 23.21 N ATOM 1286 CZ ARG A 88 -7.610 26.578 11.387 1.00 30.11 C ATOM 1287 NH1 ARG A 88 -8.341 25.646 11.984 1.00 44.52 N ATOM 1288 NH2 ARG A 88 -7.387 27.733 12.002 1.00 50.12 N ATOM 0 H ARG A 88 -9.557 22.132 6.287 1.00 14.42 H new ATOM 0 HA ARG A 88 -8.551 24.820 6.247 1.00 55.12 H new ATOM 0 HB2 ARG A 88 -9.952 23.479 8.041 1.00 23.31 H new ATOM 0 HB3 ARG A 88 -8.384 22.916 8.586 1.00 23.31 H new ATOM 0 HG2 ARG A 88 -8.909 25.872 8.225 1.00 74.33 H new ATOM 0 HG3 ARG A 88 -9.433 25.045 9.678 1.00 74.33 H new ATOM 0 HD2 ARG A 88 -7.110 24.268 10.087 1.00 54.35 H new ATOM 0 HD3 ARG A 88 -6.578 25.066 8.620 1.00 54.35 H new ATOM 0 HE ARG A 88 -6.546 27.096 9.749 1.00 23.21 H new ATOM 0 HH11 ARG A 88 -8.516 24.757 11.515 1.00 44.52 H new ATOM 0 HH12 ARG A 88 -8.728 25.818 12.912 1.00 44.52 H new ATOM 0 HH21 ARG A 88 -6.826 28.453 11.547 1.00 50.12 H new ATOM 0 HH22 ARG A 88 -7.776 27.900 12.930 1.00 50.12 H new ATOM 1299 N GLU A 89 -6.452 22.406 7.124 1.00 23.11 N ATOM 1300 CA GLU A 89 -5.039 22.047 7.169 1.00 54.33 C ATOM 1301 C GLU A 89 -4.798 20.701 6.492 1.00 42.15 C ATOM 1302 O GLU A 89 -5.647 19.811 6.535 1.00 12.43 O ATOM 1303 CB GLU A 89 -4.551 21.995 8.619 1.00 43.34 C ATOM 1304 CG GLU A 89 -4.028 23.327 9.132 1.00 55.24 C ATOM 1305 CD GLU A 89 -3.014 23.164 10.248 1.00 4.31 C ATOM 1306 OE1 GLU A 89 -1.816 22.988 9.940 1.00 55.24 O ATOM 1307 OE2 GLU A 89 -3.418 23.213 11.428 1.00 31.40 O ATOM 0 H GLU A 89 -7.080 21.698 7.505 1.00 23.11 H new ATOM 0 HA GLU A 89 -4.478 22.811 6.630 1.00 54.33 H new ATOM 0 HB2 GLU A 89 -5.370 21.665 9.258 1.00 43.34 H new ATOM 0 HB3 GLU A 89 -3.762 21.248 8.702 1.00 43.34 H new ATOM 0 HG2 GLU A 89 -3.571 23.875 8.308 1.00 55.24 H new ATOM 0 HG3 GLU A 89 -4.864 23.928 9.490 1.00 55.24 H new ATOM 1312 N ASP A 90 -3.634 20.561 5.867 1.00 53.25 N ATOM 1313 CA ASP A 90 -3.279 19.323 5.180 1.00 31.22 C ATOM 1314 C ASP A 90 -2.040 18.691 5.806 1.00 43.41 C ATOM 1315 O ASP A 90 -1.258 19.346 6.496 1.00 12.25 O ATOM 1316 CB ASP A 90 -3.035 19.593 3.695 1.00 41.43 C ATOM 1317 CG ASP A 90 -2.422 20.957 3.446 1.00 12.11 C ATOM 1318 OD1 ASP A 90 -1.228 21.137 3.763 1.00 70.24 O ATOM 1319 OD2 ASP A 90 -3.137 21.844 2.936 1.00 1.55 O ATOM 0 H ASP A 90 -2.920 21.288 5.822 1.00 53.25 H new ATOM 0 HA ASP A 90 -4.111 18.626 5.283 1.00 31.22 H new ATOM 0 HB2 ASP A 90 -2.376 18.823 3.293 1.00 41.43 H new ATOM 0 HB3 ASP A 90 -3.979 19.519 3.156 1.00 41.43 H new ATOM 1323 N PRO A 91 -1.855 17.384 5.562 1.00 21.52 N ATOM 1324 CA PRO A 91 -0.713 16.634 6.093 1.00 24.43 C ATOM 1325 C PRO A 91 0.603 17.043 5.440 1.00 55.00 C ATOM 1326 O PRO A 91 1.680 16.793 5.982 1.00 32.12 O ATOM 1327 CB PRO A 91 -1.052 15.182 5.748 1.00 75.32 C ATOM 1328 CG PRO A 91 -1.956 15.273 4.569 1.00 30.12 C ATOM 1329 CD PRO A 91 -2.746 16.541 4.749 1.00 55.53 C ATOM 0 HA PRO A 91 -0.569 16.811 7.159 1.00 24.43 H new ATOM 0 HB2 PRO A 91 -0.154 14.611 5.515 1.00 75.32 H new ATOM 0 HB3 PRO A 91 -1.541 14.681 6.583 1.00 75.32 H new ATOM 0 HG2 PRO A 91 -1.385 15.297 3.641 1.00 30.12 H new ATOM 0 HG3 PRO A 91 -2.615 14.407 4.515 1.00 30.12 H new ATOM 0 HD2 PRO A 91 -2.979 17.008 3.792 1.00 55.53 H new ATOM 0 HD3 PRO A 91 -3.695 16.356 5.253 1.00 55.53 H new ATOM 1334 N ASP A 92 0.509 17.673 4.274 1.00 71.34 N ATOM 1335 CA ASP A 92 1.693 18.118 3.548 1.00 62.13 C ATOM 1336 C ASP A 92 1.372 19.326 2.673 1.00 53.45 C ATOM 1337 O ASP A 92 0.399 19.315 1.917 1.00 64.02 O ATOM 1338 CB ASP A 92 2.246 16.981 2.688 1.00 63.12 C ATOM 1339 CG ASP A 92 1.360 16.670 1.499 1.00 11.14 C ATOM 1340 OD1 ASP A 92 0.142 16.483 1.701 1.00 1.13 O ATOM 1341 OD2 ASP A 92 1.883 16.613 0.366 1.00 3.00 O ATOM 0 H ASP A 92 -0.375 17.887 3.811 1.00 71.34 H new ATOM 0 HA ASP A 92 2.448 18.412 4.277 1.00 62.13 H new ATOM 0 HB2 ASP A 92 3.242 17.248 2.335 1.00 63.12 H new ATOM 0 HB3 ASP A 92 2.354 16.086 3.300 1.00 63.12 H new ATOM 1345 N ARG A 93 2.193 20.364 2.781 1.00 64.14 N ATOM 1346 CA ARG A 93 1.996 21.579 2.002 1.00 23.04 C ATOM 1347 C ARG A 93 1.859 21.257 0.516 1.00 41.21 C ATOM 1348 O ARG A 93 2.550 20.381 -0.004 1.00 54.24 O ATOM 1349 CB ARG A 93 3.162 22.547 2.219 1.00 55.50 C ATOM 1350 CG ARG A 93 4.524 21.922 1.969 1.00 71.45 C ATOM 1351 CD ARG A 93 5.524 22.950 1.462 1.00 33.10 C ATOM 1352 NE ARG A 93 6.892 22.440 1.482 1.00 14.24 N ATOM 1353 CZ ARG A 93 7.903 23.025 0.850 1.00 3.20 C ATOM 1354 NH1 ARG A 93 7.701 24.134 0.153 1.00 71.43 N ATOM 1355 NH2 ARG A 93 9.120 22.500 0.915 1.00 72.11 N ATOM 0 H ARG A 93 3.002 20.388 3.401 1.00 64.14 H new ATOM 0 HA ARG A 93 1.074 22.051 2.341 1.00 23.04 H new ATOM 0 HB2 ARG A 93 3.039 23.406 1.559 1.00 55.50 H new ATOM 0 HB3 ARG A 93 3.126 22.923 3.241 1.00 55.50 H new ATOM 0 HG2 ARG A 93 4.895 21.475 2.891 1.00 71.45 H new ATOM 0 HG3 ARG A 93 4.428 21.116 1.241 1.00 71.45 H new ATOM 0 HD2 ARG A 93 5.261 23.241 0.445 1.00 33.10 H new ATOM 0 HD3 ARG A 93 5.463 23.848 2.076 1.00 33.10 H new ATOM 0 HE ARG A 93 7.081 21.588 2.010 1.00 14.24 H new ATOM 0 HH11 ARG A 93 6.767 24.541 0.101 1.00 71.43 H new ATOM 0 HH12 ARG A 93 8.480 24.581 -0.331 1.00 71.43 H new ATOM 0 HH21 ARG A 93 9.279 21.647 1.451 1.00 72.11 H new ATOM 0 HH22 ARG A 93 9.896 22.950 0.429 1.00 72.11 H new ATOM 1366 N GLN A 94 0.963 21.969 -0.159 1.00 44.10 N ATOM 1367 CA GLN A 94 0.735 21.757 -1.584 1.00 62.32 C ATOM 1368 C GLN A 94 1.951 22.186 -2.399 1.00 11.14 C ATOM 1369 O GLN A 94 2.518 23.255 -2.170 1.00 23.21 O ATOM 1370 CB GLN A 94 -0.501 22.529 -2.045 1.00 13.25 C ATOM 1371 CG GLN A 94 -0.408 24.027 -1.805 1.00 71.50 C ATOM 1372 CD GLN A 94 -1.752 24.652 -1.486 1.00 30.13 C ATOM 1373 OE1 GLN A 94 -2.342 24.383 -0.439 1.00 51.10 O ATOM 1374 NE2 GLN A 94 -2.243 25.493 -2.389 1.00 54.31 N ATOM 0 H GLN A 94 0.383 22.698 0.257 1.00 44.10 H new ATOM 0 HA GLN A 94 0.569 20.692 -1.745 1.00 62.32 H new ATOM 0 HB2 GLN A 94 -0.656 22.349 -3.109 1.00 13.25 H new ATOM 0 HB3 GLN A 94 -1.377 22.140 -1.525 1.00 13.25 H new ATOM 0 HG2 GLN A 94 0.281 24.217 -0.982 1.00 71.50 H new ATOM 0 HG3 GLN A 94 0.011 24.507 -2.689 1.00 71.50 H new ATOM 0 HE21 GLN A 94 -1.720 25.687 -3.243 1.00 54.31 H new ATOM 0 HE22 GLN A 94 -3.143 25.945 -2.229 1.00 54.31 H new ATOM 1381 N ASP A 95 2.345 21.347 -3.350 1.00 1.10 N ATOM 1382 CA ASP A 95 3.494 21.640 -4.200 1.00 10.13 C ATOM 1383 C ASP A 95 3.176 21.345 -5.664 1.00 74.24 C ATOM 1384 O ASP A 95 3.563 20.304 -6.196 1.00 73.22 O ATOM 1385 CB ASP A 95 4.707 20.824 -3.754 1.00 62.04 C ATOM 1386 CG ASP A 95 5.410 21.437 -2.559 1.00 12.52 C ATOM 1387 OD1 ASP A 95 5.039 21.100 -1.416 1.00 13.51 O ATOM 1388 OD2 ASP A 95 6.331 22.255 -2.767 1.00 11.32 O ATOM 0 H ASP A 95 1.886 20.459 -3.552 1.00 1.10 H new ATOM 0 HA ASP A 95 3.725 22.701 -4.104 1.00 10.13 H new ATOM 0 HB2 ASP A 95 4.388 19.812 -3.504 1.00 62.04 H new ATOM 0 HB3 ASP A 95 5.410 20.742 -4.583 1.00 62.04 H new ATOM 1392 N HIS A 96 2.468 22.267 -6.307 1.00 51.41 N ATOM 1393 CA HIS A 96 2.098 22.105 -7.710 1.00 75.32 C ATOM 1394 C HIS A 96 3.202 22.620 -8.626 1.00 63.32 C ATOM 1395 O HIS A 96 3.929 23.552 -8.277 1.00 54.54 O ATOM 1396 CB HIS A 96 0.790 22.843 -8.001 1.00 44.21 C ATOM 1397 CG HIS A 96 0.076 22.337 -9.217 1.00 35.31 C ATOM 1398 ND1 HIS A 96 0.212 21.047 -9.688 1.00 33.43 N ATOM 1399 CD2 HIS A 96 -0.786 22.954 -10.058 1.00 0.24 C ATOM 1400 CE1 HIS A 96 -0.535 20.895 -10.767 1.00 45.23 C ATOM 1401 NE2 HIS A 96 -1.151 22.037 -11.013 1.00 70.42 N ATOM 0 H HIS A 96 2.139 23.133 -5.881 1.00 51.41 H new ATOM 0 HA HIS A 96 1.958 21.042 -7.904 1.00 75.32 H new ATOM 0 HB2 HIS A 96 0.131 22.751 -7.138 1.00 44.21 H new ATOM 0 HB3 HIS A 96 1.002 23.905 -8.129 1.00 44.21 H new ATOM 0 HD2 HIS A 96 -1.124 23.977 -9.991 1.00 0.24 H new ATOM 0 HE1 HIS A 96 -0.626 19.990 -11.349 1.00 45.23 H new ATOM 0 HE2 HIS A 96 -1.793 22.210 -11.786 1.00 70.42 H new ATOM 1408 N HIS A 97 3.325 22.008 -9.799 1.00 1.03 N ATOM 1409 CA HIS A 97 4.342 22.405 -10.766 1.00 2.43 C ATOM 1410 C HIS A 97 4.248 21.558 -12.032 1.00 40.05 C ATOM 1411 O HIS A 97 5.127 20.748 -12.333 1.00 22.43 O ATOM 1412 CB HIS A 97 5.737 22.275 -10.154 1.00 22.41 C ATOM 1413 CG HIS A 97 5.957 20.980 -9.436 1.00 62.01 C ATOM 1414 ND1 HIS A 97 6.493 19.864 -10.044 1.00 12.34 N ATOM 1415 CD2 HIS A 97 5.714 20.626 -8.151 1.00 2.54 C ATOM 1416 CE1 HIS A 97 6.566 18.880 -9.166 1.00 43.33 C ATOM 1417 NE2 HIS A 97 6.101 19.316 -8.011 1.00 74.53 N ATOM 0 H HIS A 97 2.733 21.235 -10.103 1.00 1.03 H new ATOM 0 HA HIS A 97 4.167 23.447 -11.033 1.00 2.43 H new ATOM 0 HB2 HIS A 97 6.482 22.374 -10.944 1.00 22.41 H new ATOM 0 HB3 HIS A 97 5.898 23.099 -9.458 1.00 22.41 H new ATOM 0 HD1 HIS A 97 6.787 19.807 -11.019 1.00 12.34 H new ATOM 0 HD2 HIS A 97 5.294 21.256 -7.381 1.00 2.54 H new ATOM 0 HE1 HIS A 97 6.943 17.887 -9.361 1.00 43.33 H new ATOM 1424 N PRO A 98 3.159 21.744 -12.791 1.00 72.30 N ATOM 1425 CA PRO A 98 2.925 21.006 -14.036 1.00 1.21 C ATOM 1426 C PRO A 98 3.887 21.418 -15.144 1.00 63.20 C ATOM 1427 O PRO A 98 4.833 22.170 -14.911 1.00 54.13 O ATOM 1428 CB PRO A 98 1.488 21.383 -14.407 1.00 62.20 C ATOM 1429 CG PRO A 98 1.266 22.708 -13.763 1.00 65.42 C ATOM 1430 CD PRO A 98 2.072 22.692 -12.493 1.00 14.51 C ATOM 0 HA PRO A 98 3.080 19.934 -13.910 1.00 1.21 H new ATOM 0 HB2 PRO A 98 1.361 21.442 -15.488 1.00 62.20 H new ATOM 0 HB3 PRO A 98 0.777 20.641 -14.042 1.00 62.20 H new ATOM 0 HG2 PRO A 98 1.586 23.519 -14.418 1.00 65.42 H new ATOM 0 HG3 PRO A 98 0.209 22.867 -13.552 1.00 65.42 H new ATOM 0 HD2 PRO A 98 2.458 23.682 -12.249 1.00 14.51 H new ATOM 0 HD3 PRO A 98 1.475 22.364 -11.642 1.00 14.51 H new ATOM 1435 N GLY A 99 3.640 20.922 -16.352 1.00 53.42 N ATOM 1436 CA GLY A 99 4.494 21.249 -17.479 1.00 32.33 C ATOM 1437 C GLY A 99 4.473 20.180 -18.553 1.00 70.24 C ATOM 1438 O GLY A 99 5.319 19.286 -18.563 1.00 4.20 O ATOM 0 H GLY A 99 2.863 20.299 -16.571 1.00 53.42 H new ATOM 0 HA2 GLY A 99 4.174 22.198 -17.909 1.00 32.33 H new ATOM 0 HA3 GLY A 99 5.517 21.387 -17.128 1.00 32.33 H new ATOM 1442 N SER A 100 3.505 20.271 -19.458 1.00 12.34 N ATOM 1443 CA SER A 100 3.375 19.300 -20.538 1.00 31.02 C ATOM 1444 C SER A 100 2.303 19.736 -21.533 1.00 4.10 C ATOM 1445 O SER A 100 1.469 20.588 -21.232 1.00 2.12 O ATOM 1446 CB SER A 100 3.031 17.920 -19.974 1.00 63.41 C ATOM 1447 OG SER A 100 1.740 17.915 -19.390 1.00 64.53 O ATOM 0 H SER A 100 2.799 21.007 -19.465 1.00 12.34 H new ATOM 0 HA SER A 100 4.331 19.243 -21.059 1.00 31.02 H new ATOM 0 HB2 SER A 100 3.076 17.177 -20.770 1.00 63.41 H new ATOM 0 HB3 SER A 100 3.772 17.634 -19.228 1.00 63.41 H new ATOM 0 HG SER A 100 1.543 17.022 -19.039 1.00 64.53 H new ATOM 1452 N GLY A 101 2.334 19.143 -22.723 1.00 15.24 N ATOM 1453 CA GLY A 101 1.361 19.482 -23.746 1.00 52.02 C ATOM 1454 C GLY A 101 1.217 18.394 -24.793 1.00 41.04 C ATOM 1455 O GLY A 101 1.703 17.278 -24.608 1.00 1.42 O ATOM 0 H GLY A 101 3.015 18.435 -22.997 1.00 15.24 H new ATOM 0 HA2 GLY A 101 0.393 19.661 -23.277 1.00 52.02 H new ATOM 0 HA3 GLY A 101 1.658 20.412 -24.231 1.00 52.02 H new ATOM 1459 N ALA A 102 0.548 18.719 -25.894 1.00 71.14 N ATOM 1460 CA ALA A 102 0.343 17.761 -26.973 1.00 33.43 C ATOM 1461 C ALA A 102 -0.189 18.452 -28.225 1.00 20.03 C ATOM 1462 O ALA A 102 -0.348 19.672 -28.251 1.00 34.22 O ATOM 1463 CB ALA A 102 -0.611 16.663 -26.529 1.00 53.02 C ATOM 0 H ALA A 102 0.139 19.638 -26.062 1.00 71.14 H new ATOM 0 HA ALA A 102 1.306 17.313 -27.217 1.00 33.43 H new ATOM 0 HB1 ALA A 102 -0.755 15.954 -27.345 1.00 53.02 H new ATOM 0 HB2 ALA A 102 -0.192 16.144 -25.667 1.00 53.02 H new ATOM 0 HB3 ALA A 102 -1.570 17.103 -26.257 1.00 53.02 H new ATOM 1469 N GLN A 103 -0.461 17.663 -29.259 1.00 43.32 N ATOM 1470 CA GLN A 103 -0.973 18.200 -30.515 1.00 43.12 C ATOM 1471 C GLN A 103 -2.288 18.940 -30.294 1.00 22.01 C ATOM 1472 O GLN A 103 -2.345 20.167 -30.387 1.00 53.32 O ATOM 1473 CB GLN A 103 -1.172 17.074 -31.532 1.00 63.22 C ATOM 1474 CG GLN A 103 -2.391 16.210 -31.252 1.00 62.22 C ATOM 1475 CD GLN A 103 -2.285 15.459 -29.939 1.00 65.11 C ATOM 1476 OE1 GLN A 103 -3.103 15.643 -29.038 1.00 53.32 O ATOM 1477 NE2 GLN A 103 -1.273 14.607 -29.825 1.00 11.51 N ATOM 0 H GLN A 103 -0.336 16.651 -29.252 1.00 43.32 H new ATOM 0 HA GLN A 103 -0.240 18.907 -30.905 1.00 43.12 H new ATOM 0 HB2 GLN A 103 -1.265 17.507 -32.528 1.00 63.22 H new ATOM 0 HB3 GLN A 103 -0.284 16.442 -31.541 1.00 63.22 H new ATOM 0 HG2 GLN A 103 -3.281 16.839 -31.236 1.00 62.22 H new ATOM 0 HG3 GLN A 103 -2.520 15.496 -32.065 1.00 62.22 H new ATOM 0 HE21 GLN A 103 -0.619 14.486 -30.598 1.00 11.51 H new ATOM 0 HE22 GLN A 103 -1.150 14.073 -28.965 1.00 11.51 H new TER 1484 GLN A 103