USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1139 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 19 ASN : amide:sc= -0.574! C(o=-0.3!,f=-16!) USER MOD Set 1.2: A 22 LYS NZ :NH3+ -115:sc= 0.414 (180deg=0) USER MOD Set 1.3: A 23 LYS NZ :NH3+ -160:sc= -0.145 (180deg=-0.872) USER MOD Single : A 1 ARG N :NH3+ -169:sc= -0.0638 (180deg=-0.24) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00397 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= -1.02 (180deg=-2.82!) USER MOD Single : A 24 THR OG1 : rot -90:sc= -0.54 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -8.3! K(o=-8.3!,f=-0.25) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -7.22! C(o=-7.2!,f=-9.5!) USER MOD Single : A 34 ASN : amide:sc= -0.621 K(o=-0.62,f=-2.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -6.78! C(o=-6.8!,f=-6.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0013 USER MOD Single : A 45 THR OG1 : rot -146:sc= 0.376 USER MOD Single : A 46 GLN : amide:sc= -3.01 K(o=-3,f=-5.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=-0.62) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -30.6! C(o=-31!,f=-30!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.381 K(o=-0.38,f=-5.3!) USER MOD Single : A 85 SER OG : rot -55:sc= 0.062 USER MOD Single : A 91 MET CE :methyl 180:sc= -0.834 (180deg=-0.834) USER MOD Single : A 92 GLN : amide:sc= -0.0834 K(o=-0.083,f=-2!) USER MOD Single : A 98 LYS NZ :NH3+ -151:sc= -0.857 (180deg=-1.59) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0.111 (180deg=-0.054) USER MOD Single : A 108 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.0023) USER MOD Single : A 109 CYS SG : rot -24:sc= -0.02 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 82:sc= -0.0619 USER MOD Single : A 114 THR OG1 : rot 180:sc=-0.00116 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.94) USER MOD Single : A 123 THR OG1 : rot 73:sc= 1.03 USER MOD Single : A 124 LYS NZ :NH3+ -122:sc= -6.8! (180deg=-8.87!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -2.14 K(o=-2.1,f=0.015) USER MOD Single : B 1 ASP N :NH3+ 139:sc= -3.35 (180deg=-5.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.066 -18.325 -10.574 1.00 1.51 N ATOM 2 CA ARG A 1 13.956 -18.283 -9.581 1.00 1.47 C ATOM 3 C ARG A 1 14.439 -17.586 -8.307 1.00 1.42 C ATOM 4 O ARG A 1 13.654 -17.094 -7.521 1.00 1.41 O ATOM 5 CB ARG A 1 13.516 -19.710 -9.247 1.00 1.52 C ATOM 6 CG ARG A 1 12.264 -19.667 -8.368 1.00 1.58 C ATOM 7 CD ARG A 1 11.756 -21.091 -8.132 1.00 1.56 C ATOM 8 NE ARG A 1 10.740 -21.081 -7.042 1.00 1.55 N ATOM 9 CZ ARG A 1 9.963 -22.114 -6.863 1.00 1.55 C ATOM 10 NH1 ARG A 1 10.079 -23.160 -7.635 1.00 1.57 N ATOM 11 NH2 ARG A 1 9.071 -22.102 -5.910 1.00 1.54 N ATOM 0 H1 ARG A 1 14.694 -18.625 -11.498 1.00 1.51 H new ATOM 0 H2 ARG A 1 15.489 -17.379 -10.662 1.00 1.51 H new ATOM 0 H3 ARG A 1 15.790 -19.000 -10.256 1.00 1.51 H new ATOM 0 HA ARG A 1 13.114 -17.732 -10.000 1.00 1.47 H new ATOM 0 HB2 ARG A 1 13.310 -20.262 -10.164 1.00 1.52 H new ATOM 0 HB3 ARG A 1 14.318 -20.237 -8.730 1.00 1.52 H new ATOM 0 HG2 ARG A 1 12.492 -19.188 -7.416 1.00 1.58 H new ATOM 0 HG3 ARG A 1 11.490 -19.068 -8.848 1.00 1.58 H new ATOM 0 HD2 ARG A 1 11.319 -21.489 -9.048 1.00 1.56 H new ATOM 0 HD3 ARG A 1 12.586 -21.745 -7.864 1.00 1.56 H new ATOM 0 HE ARG A 1 10.652 -20.266 -6.435 1.00 1.55 H new ATOM 0 HH11 ARG A 1 10.777 -23.170 -8.379 1.00 1.57 H new ATOM 0 HH12 ARG A 1 9.471 -23.967 -7.495 1.00 1.57 H new ATOM 0 HH21 ARG A 1 8.981 -21.285 -5.306 1.00 1.54 H new ATOM 0 HH22 ARG A 1 8.464 -22.909 -5.770 1.00 1.54 H new ATOM 27 N HIS A 2 15.727 -17.541 -8.097 1.00 1.39 N ATOM 28 CA HIS A 2 16.260 -16.877 -6.874 1.00 1.35 C ATOM 29 C HIS A 2 16.045 -15.366 -6.976 1.00 1.38 C ATOM 30 O HIS A 2 16.819 -14.659 -7.590 1.00 1.44 O ATOM 31 CB HIS A 2 17.757 -17.171 -6.747 1.00 1.31 C ATOM 32 CG HIS A 2 18.312 -16.435 -5.559 1.00 1.26 C ATOM 33 ND1 HIS A 2 18.095 -16.862 -4.259 1.00 1.27 N ATOM 34 CD2 HIS A 2 19.076 -15.298 -5.458 1.00 1.20 C ATOM 35 CE1 HIS A 2 18.717 -15.996 -3.438 1.00 1.22 C ATOM 36 NE2 HIS A 2 19.330 -15.023 -4.118 1.00 1.17 N ATOM 0 H HIS A 2 16.432 -17.935 -8.719 1.00 1.39 H new ATOM 0 HA HIS A 2 15.737 -17.259 -5.997 1.00 1.35 H new ATOM 0 HB2 HIS A 2 17.920 -18.243 -6.633 1.00 1.31 H new ATOM 0 HB3 HIS A 2 18.277 -16.864 -7.654 1.00 1.31 H new ATOM 0 HD2 HIS A 2 19.426 -14.707 -6.292 1.00 1.20 H new ATOM 0 HE1 HIS A 2 18.720 -16.078 -2.361 1.00 1.22 H new ATOM 0 HE2 HIS A 2 19.869 -14.245 -3.737 1.00 1.17 H new ATOM 44 N GLU A 3 14.996 -14.864 -6.380 1.00 1.36 N ATOM 45 CA GLU A 3 14.730 -13.397 -6.442 1.00 1.40 C ATOM 46 C GLU A 3 15.505 -12.687 -5.330 1.00 1.39 C ATOM 47 O GLU A 3 15.488 -13.097 -4.187 1.00 1.34 O ATOM 48 CB GLU A 3 13.232 -13.143 -6.259 1.00 1.39 C ATOM 49 CG GLU A 3 12.474 -13.647 -7.488 1.00 1.41 C ATOM 50 CD GLU A 3 12.779 -12.742 -8.683 1.00 1.40 C ATOM 51 OE1 GLU A 3 12.821 -11.537 -8.493 1.00 1.60 O ATOM 52 OE2 GLU A 3 12.967 -13.268 -9.767 1.00 1.53 O ATOM 0 H GLU A 3 14.312 -15.407 -5.853 1.00 1.36 H new ATOM 0 HA GLU A 3 15.051 -13.012 -7.410 1.00 1.40 H new ATOM 0 HB2 GLU A 3 12.873 -13.651 -5.364 1.00 1.39 H new ATOM 0 HB3 GLU A 3 13.048 -12.078 -6.117 1.00 1.39 H new ATOM 0 HG2 GLU A 3 12.765 -14.673 -7.712 1.00 1.41 H new ATOM 0 HG3 GLU A 3 11.402 -13.656 -7.289 1.00 1.41 H new ATOM 59 N ARG A 4 16.184 -11.620 -5.659 1.00 1.44 N ATOM 60 CA ARG A 4 16.963 -10.872 -4.630 1.00 1.44 C ATOM 61 C ARG A 4 17.023 -9.398 -5.040 1.00 1.43 C ATOM 62 O ARG A 4 17.564 -9.054 -6.071 1.00 1.45 O ATOM 63 CB ARG A 4 18.378 -11.470 -4.543 1.00 1.51 C ATOM 64 CG ARG A 4 19.334 -10.516 -3.793 1.00 1.53 C ATOM 65 CD ARG A 4 19.903 -9.421 -4.729 1.00 1.56 C ATOM 66 NE ARG A 4 21.356 -9.248 -4.449 1.00 1.64 N ATOM 67 CZ ARG A 4 22.111 -8.600 -5.295 1.00 1.68 C ATOM 68 NH1 ARG A 4 21.591 -8.099 -6.382 1.00 1.65 N ATOM 69 NH2 ARG A 4 23.385 -8.452 -5.052 1.00 1.74 N ATOM 0 H ARG A 4 16.232 -11.233 -6.601 1.00 1.44 H new ATOM 0 HA ARG A 4 16.489 -10.951 -3.652 1.00 1.44 H new ATOM 0 HB2 ARG A 4 18.340 -12.431 -4.030 1.00 1.51 H new ATOM 0 HB3 ARG A 4 18.760 -11.659 -5.546 1.00 1.51 H new ATOM 0 HG2 ARG A 4 18.803 -10.047 -2.965 1.00 1.53 H new ATOM 0 HG3 ARG A 4 20.155 -11.089 -3.362 1.00 1.53 H new ATOM 0 HD2 ARG A 4 19.752 -9.701 -5.771 1.00 1.56 H new ATOM 0 HD3 ARG A 4 19.375 -8.480 -4.572 1.00 1.56 H new ATOM 0 HE ARG A 4 21.761 -9.636 -3.597 1.00 1.64 H new ATOM 0 HH11 ARG A 4 20.595 -8.214 -6.571 1.00 1.65 H new ATOM 0 HH12 ARG A 4 22.180 -7.593 -7.043 1.00 1.65 H new ATOM 0 HH21 ARG A 4 23.791 -8.842 -4.201 1.00 1.74 H new ATOM 0 HH22 ARG A 4 23.975 -7.946 -5.713 1.00 1.74 H new ATOM 83 N ASP A 5 16.449 -8.524 -4.250 1.00 1.40 N ATOM 84 CA ASP A 5 16.452 -7.073 -4.597 1.00 1.39 C ATOM 85 C ASP A 5 16.653 -6.233 -3.331 1.00 1.41 C ATOM 86 O ASP A 5 17.515 -6.502 -2.519 1.00 1.46 O ATOM 87 CB ASP A 5 15.111 -6.718 -5.256 1.00 1.32 C ATOM 88 CG ASP A 5 15.282 -5.516 -6.192 1.00 1.32 C ATOM 89 OD1 ASP A 5 16.084 -5.611 -7.106 1.00 1.32 O ATOM 90 OD2 ASP A 5 14.607 -4.523 -5.978 1.00 1.33 O ATOM 0 H ASP A 5 15.977 -8.757 -3.376 1.00 1.40 H new ATOM 0 HA ASP A 5 17.268 -6.861 -5.288 1.00 1.39 H new ATOM 0 HB2 ASP A 5 14.735 -7.574 -5.817 1.00 1.32 H new ATOM 0 HB3 ASP A 5 14.370 -6.489 -4.490 1.00 1.32 H new ATOM 95 N ALA A 6 15.872 -5.202 -3.181 1.00 1.37 N ATOM 96 CA ALA A 6 16.010 -4.310 -1.995 1.00 1.39 C ATOM 97 C ALA A 6 15.731 -5.071 -0.693 1.00 1.40 C ATOM 98 O ALA A 6 16.552 -5.088 0.198 1.00 1.45 O ATOM 99 CB ALA A 6 15.021 -3.151 -2.118 1.00 1.34 C ATOM 0 H ALA A 6 15.136 -4.935 -3.835 1.00 1.37 H new ATOM 0 HA ALA A 6 17.033 -3.936 -1.965 1.00 1.39 H new ATOM 0 HB1 ALA A 6 15.119 -2.496 -1.252 1.00 1.34 H new ATOM 0 HB2 ALA A 6 15.233 -2.586 -3.026 1.00 1.34 H new ATOM 0 HB3 ALA A 6 14.005 -3.543 -2.164 1.00 1.34 H new ATOM 105 N PHE A 7 14.581 -5.687 -0.561 1.00 1.35 N ATOM 106 CA PHE A 7 14.267 -6.418 0.713 1.00 1.36 C ATOM 107 C PHE A 7 15.484 -7.218 1.178 1.00 1.43 C ATOM 108 O PHE A 7 15.687 -7.429 2.351 1.00 1.46 O ATOM 109 CB PHE A 7 13.056 -7.365 0.514 1.00 1.31 C ATOM 110 CG PHE A 7 12.856 -7.619 -0.953 1.00 1.26 C ATOM 111 CD1 PHE A 7 12.189 -6.669 -1.721 1.00 1.21 C ATOM 112 CD2 PHE A 7 13.352 -8.786 -1.543 1.00 1.27 C ATOM 113 CE1 PHE A 7 12.013 -6.882 -3.094 1.00 1.16 C ATOM 114 CE2 PHE A 7 13.173 -9.005 -2.913 1.00 1.23 C ATOM 115 CZ PHE A 7 12.504 -8.052 -3.689 1.00 1.18 C ATOM 0 H PHE A 7 13.850 -5.717 -1.272 1.00 1.35 H new ATOM 0 HA PHE A 7 14.013 -5.683 1.477 1.00 1.36 H new ATOM 0 HB2 PHE A 7 13.226 -8.306 1.037 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.158 -6.920 0.943 1.00 1.31 H new ATOM 0 HD1 PHE A 7 11.808 -5.770 -1.259 1.00 1.21 H new ATOM 0 HD2 PHE A 7 13.872 -9.517 -0.942 1.00 1.27 H new ATOM 0 HE1 PHE A 7 11.499 -6.145 -3.694 1.00 1.16 H new ATOM 0 HE2 PHE A 7 13.550 -9.908 -3.371 1.00 1.23 H new ATOM 0 HZ PHE A 7 12.366 -8.218 -4.747 1.00 1.18 H new ATOM 125 N ASP A 8 16.293 -7.664 0.279 1.00 1.47 N ATOM 126 CA ASP A 8 17.475 -8.453 0.710 1.00 1.54 C ATOM 127 C ASP A 8 18.432 -7.559 1.509 1.00 1.58 C ATOM 128 O ASP A 8 18.544 -7.672 2.711 1.00 1.60 O ATOM 129 CB ASP A 8 18.184 -9.016 -0.548 1.00 1.58 C ATOM 130 CG ASP A 8 18.387 -10.533 -0.423 1.00 1.64 C ATOM 131 OD1 ASP A 8 17.397 -11.235 -0.301 1.00 1.64 O ATOM 132 OD2 ASP A 8 19.529 -10.962 -0.452 1.00 1.69 O ATOM 0 H ASP A 8 16.196 -7.523 -0.727 1.00 1.47 H new ATOM 0 HA ASP A 8 17.161 -9.279 1.349 1.00 1.54 H new ATOM 0 HB2 ASP A 8 17.591 -8.795 -1.435 1.00 1.58 H new ATOM 0 HB3 ASP A 8 19.148 -8.525 -0.679 1.00 1.58 H new ATOM 137 N THR A 9 19.111 -6.675 0.843 1.00 1.61 N ATOM 138 CA THR A 9 20.082 -5.778 1.542 1.00 1.66 C ATOM 139 C THR A 9 19.381 -4.888 2.564 1.00 1.62 C ATOM 140 O THR A 9 20.006 -4.349 3.455 1.00 1.65 O ATOM 141 CB THR A 9 20.791 -4.897 0.509 1.00 1.71 C ATOM 142 OG1 THR A 9 21.191 -5.696 -0.596 1.00 1.71 O ATOM 143 CG2 THR A 9 22.022 -4.249 1.145 1.00 1.78 C ATOM 0 H THR A 9 19.039 -6.529 -0.164 1.00 1.61 H new ATOM 0 HA THR A 9 20.804 -6.402 2.069 1.00 1.66 H new ATOM 0 HB THR A 9 20.110 -4.117 0.168 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.643 -5.134 -1.259 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.525 -3.623 0.408 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.714 -3.636 1.992 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.706 -5.026 1.488 1.00 1.78 H new ATOM 151 N LEU A 10 18.102 -4.715 2.452 1.00 1.55 N ATOM 152 CA LEU A 10 17.394 -3.837 3.427 1.00 1.52 C ATOM 153 C LEU A 10 17.163 -4.606 4.735 1.00 1.51 C ATOM 154 O LEU A 10 17.589 -4.187 5.794 1.00 1.54 O ATOM 155 CB LEU A 10 16.047 -3.386 2.823 1.00 1.44 C ATOM 156 CG LEU A 10 16.201 -2.067 2.024 1.00 1.43 C ATOM 157 CD1 LEU A 10 16.303 -0.862 2.974 1.00 1.48 C ATOM 158 CD2 LEU A 10 17.452 -2.115 1.125 1.00 1.36 C ATOM 0 H LEU A 10 17.513 -5.138 1.734 1.00 1.55 H new ATOM 0 HA LEU A 10 17.999 -2.956 3.640 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.660 -4.167 2.168 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.317 -3.247 3.620 1.00 1.44 H new ATOM 0 HG LEU A 10 15.315 -1.955 1.398 1.00 1.43 H new ATOM 0 HD11 LEU A 10 16.410 0.053 2.391 1.00 1.48 H new ATOM 0 HD12 LEU A 10 15.401 -0.801 3.582 1.00 1.48 H new ATOM 0 HD13 LEU A 10 17.170 -0.983 3.623 1.00 1.48 H new ATOM 0 HD21 LEU A 10 17.540 -1.179 0.574 1.00 1.36 H new ATOM 0 HD22 LEU A 10 18.339 -2.257 1.743 1.00 1.36 H new ATOM 0 HD23 LEU A 10 17.363 -2.943 0.422 1.00 1.36 H new ATOM 170 N PHE A 11 16.501 -5.727 4.670 1.00 1.48 N ATOM 171 CA PHE A 11 16.242 -6.517 5.907 1.00 1.48 C ATOM 172 C PHE A 11 17.550 -7.113 6.399 1.00 1.55 C ATOM 173 O PHE A 11 17.644 -7.623 7.498 1.00 1.57 O ATOM 174 CB PHE A 11 15.236 -7.626 5.578 1.00 1.42 C ATOM 175 CG PHE A 11 13.853 -7.057 5.625 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.357 -6.490 4.483 1.00 1.31 C ATOM 177 CD2 PHE A 11 13.096 -7.069 6.801 1.00 1.34 C ATOM 178 CE1 PHE A 11 12.091 -5.916 4.467 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.815 -6.502 6.803 1.00 1.27 C ATOM 180 CZ PHE A 11 11.311 -5.922 5.631 1.00 1.23 C ATOM 0 H PHE A 11 16.127 -6.132 3.812 1.00 1.48 H new ATOM 0 HA PHE A 11 15.831 -5.880 6.690 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.440 -8.039 4.590 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.331 -8.445 6.291 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.956 -6.488 3.584 1.00 1.31 H new ATOM 0 HD2 PHE A 11 13.496 -7.512 7.701 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.710 -5.467 3.561 1.00 1.25 H new ATOM 0 HE2 PHE A 11 11.219 -6.512 7.703 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.325 -5.481 5.625 1.00 1.23 H new ATOM 190 N ASP A 12 18.563 -7.046 5.593 1.00 1.58 N ATOM 191 CA ASP A 12 19.882 -7.606 6.010 1.00 1.65 C ATOM 192 C ASP A 12 20.654 -6.572 6.808 1.00 1.70 C ATOM 193 O ASP A 12 21.149 -6.840 7.885 1.00 1.75 O ATOM 194 CB ASP A 12 20.706 -7.978 4.781 1.00 1.68 C ATOM 195 CG ASP A 12 21.941 -8.769 5.214 1.00 1.63 C ATOM 196 OD1 ASP A 12 21.861 -9.449 6.224 1.00 1.65 O ATOM 197 OD2 ASP A 12 22.947 -8.680 4.530 1.00 1.58 O ATOM 0 H ASP A 12 18.541 -6.629 4.662 1.00 1.58 H new ATOM 0 HA ASP A 12 19.702 -8.492 6.619 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.104 -8.571 4.093 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.007 -7.077 4.246 1.00 1.68 H new ATOM 202 N HIS A 13 20.796 -5.404 6.257 1.00 1.70 N ATOM 203 CA HIS A 13 21.581 -4.329 6.931 1.00 1.76 C ATOM 204 C HIS A 13 20.782 -3.012 7.010 1.00 1.73 C ATOM 205 O HIS A 13 21.330 -1.944 6.825 1.00 1.77 O ATOM 206 CB HIS A 13 22.855 -4.116 6.102 1.00 1.80 C ATOM 207 CG HIS A 13 23.902 -5.127 6.492 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.323 -6.127 5.629 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.621 -5.303 7.649 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.255 -6.853 6.274 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.474 -6.394 7.509 1.00 1.95 N ATOM 0 H HIS A 13 20.397 -5.141 5.356 1.00 1.70 H new ATOM 0 HA HIS A 13 21.814 -4.625 7.954 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.627 -4.208 5.040 1.00 1.80 H new ATOM 0 HB3 HIS A 13 23.236 -3.107 6.259 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.537 -4.688 8.533 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.764 -7.703 5.845 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.126 -6.763 8.201 1.00 1.95 H new ATOM 219 N ALA A 14 19.510 -3.056 7.307 1.00 1.66 N ATOM 220 CA ALA A 14 18.752 -1.770 7.412 1.00 1.63 C ATOM 221 C ALA A 14 17.354 -1.984 8.011 1.00 1.56 C ATOM 222 O ALA A 14 16.365 -1.756 7.344 1.00 1.51 O ATOM 223 CB ALA A 14 18.624 -1.141 6.020 1.00 1.62 C ATOM 0 H ALA A 14 18.971 -3.905 7.478 1.00 1.66 H new ATOM 0 HA ALA A 14 19.303 -1.105 8.077 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.072 -0.204 6.094 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.617 -0.946 5.616 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.091 -1.825 5.359 1.00 1.62 H new ATOM 229 N PRO A 15 17.299 -2.377 9.265 1.00 1.57 N ATOM 230 CA PRO A 15 16.014 -2.569 9.948 1.00 1.51 C ATOM 231 C PRO A 15 15.394 -1.189 10.222 1.00 1.50 C ATOM 232 O PRO A 15 14.218 -1.065 10.504 1.00 1.44 O ATOM 233 CB PRO A 15 16.377 -3.283 11.274 1.00 1.54 C ATOM 234 CG PRO A 15 17.927 -3.378 11.346 1.00 1.62 C ATOM 235 CD PRO A 15 18.487 -2.673 10.094 1.00 1.64 C ATOM 0 HA PRO A 15 15.294 -3.147 9.368 1.00 1.51 H new ATOM 0 HB2 PRO A 15 15.987 -2.728 12.127 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.930 -4.277 11.309 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.300 -2.903 12.254 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.247 -4.419 11.377 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.022 -1.761 10.359 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.192 -3.312 9.562 1.00 1.64 H new ATOM 243 N ASP A 16 16.195 -0.153 10.160 1.00 1.55 N ATOM 244 CA ASP A 16 15.677 1.224 10.439 1.00 1.55 C ATOM 245 C ASP A 16 15.112 1.859 9.165 1.00 1.52 C ATOM 246 O ASP A 16 14.068 2.486 9.181 1.00 1.48 O ATOM 247 CB ASP A 16 16.819 2.093 10.970 1.00 1.63 C ATOM 248 CG ASP A 16 17.259 1.574 12.340 1.00 1.65 C ATOM 249 OD1 ASP A 16 17.859 0.513 12.385 1.00 1.64 O ATOM 250 OD2 ASP A 16 16.987 2.246 13.322 1.00 1.68 O ATOM 0 H ASP A 16 17.187 -0.201 9.928 1.00 1.55 H new ATOM 0 HA ASP A 16 14.880 1.155 11.179 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.658 2.074 10.275 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.494 3.131 11.049 1.00 1.63 H new ATOM 255 N LYS A 17 15.793 1.716 8.064 1.00 1.55 N ATOM 256 CA LYS A 17 15.290 2.323 6.802 1.00 1.54 C ATOM 257 C LYS A 17 13.933 1.715 6.465 1.00 1.46 C ATOM 258 O LYS A 17 13.025 2.396 6.038 1.00 1.42 O ATOM 259 CB LYS A 17 16.276 2.044 5.666 1.00 1.59 C ATOM 260 CG LYS A 17 17.602 2.757 5.949 1.00 1.67 C ATOM 261 CD LYS A 17 18.440 2.811 4.668 1.00 1.72 C ATOM 262 CE LYS A 17 19.854 3.300 4.996 1.00 1.80 C ATOM 263 NZ LYS A 17 20.514 3.781 3.749 1.00 1.80 N ATOM 0 H LYS A 17 16.673 1.207 7.983 1.00 1.55 H new ATOM 0 HA LYS A 17 15.189 3.401 6.928 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.442 0.971 5.570 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.861 2.388 4.718 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.413 3.766 6.315 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.149 2.232 6.732 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.484 1.823 4.209 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.973 3.479 3.944 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.811 4.104 5.731 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.436 2.492 5.440 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 21.534 3.587 3.799 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 20.108 3.288 2.929 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 20.361 4.805 3.648 1.00 1.80 H new ATOM 277 N LEU A 18 13.785 0.437 6.661 1.00 1.43 N ATOM 278 CA LEU A 18 12.483 -0.213 6.357 1.00 1.36 C ATOM 279 C LEU A 18 11.373 0.500 7.125 1.00 1.31 C ATOM 280 O LEU A 18 10.264 0.639 6.648 1.00 1.26 O ATOM 281 CB LEU A 18 12.546 -1.684 6.779 1.00 1.35 C ATOM 282 CG LEU A 18 13.371 -2.487 5.754 1.00 1.35 C ATOM 283 CD1 LEU A 18 13.938 -3.743 6.416 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.484 -2.905 4.573 1.00 1.41 C ATOM 0 H LEU A 18 14.509 -0.186 7.019 1.00 1.43 H new ATOM 0 HA LEU A 18 12.277 -0.152 5.288 1.00 1.36 H new ATOM 0 HB2 LEU A 18 12.996 -1.769 7.768 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.539 -2.095 6.851 1.00 1.35 H new ATOM 0 HG LEU A 18 14.185 -1.858 5.393 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.520 -4.307 5.687 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.579 -3.457 7.250 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.119 -4.362 6.784 1.00 1.28 H new ATOM 0 HD21 LEU A 18 13.077 -3.472 3.855 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.664 -3.525 4.935 1.00 1.41 H new ATOM 0 HD23 LEU A 18 12.080 -2.016 4.089 1.00 1.41 H new ATOM 296 N ASN A 19 11.664 0.962 8.307 1.00 1.33 N ATOM 297 CA ASN A 19 10.626 1.677 9.097 1.00 1.29 C ATOM 298 C ASN A 19 10.270 2.980 8.381 1.00 1.30 C ATOM 299 O ASN A 19 9.115 3.283 8.155 1.00 1.25 O ATOM 300 CB ASN A 19 11.172 1.993 10.492 1.00 1.32 C ATOM 301 CG ASN A 19 10.107 2.733 11.302 1.00 1.27 C ATOM 302 OD1 ASN A 19 8.972 2.305 11.370 1.00 1.29 O ATOM 303 ND2 ASN A 19 10.426 3.835 11.924 1.00 1.22 N ATOM 0 H ASN A 19 12.574 0.876 8.760 1.00 1.33 H new ATOM 0 HA ASN A 19 9.738 1.052 9.192 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.455 1.071 11.000 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.072 2.603 10.412 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.723 4.336 12.467 1.00 1.22 H new ATOM 0 HD22 ASN A 19 11.379 4.195 11.867 1.00 1.22 H new ATOM 310 N VAL A 20 11.258 3.753 8.021 1.00 1.36 N ATOM 311 CA VAL A 20 10.986 5.041 7.319 1.00 1.38 C ATOM 312 C VAL A 20 10.354 4.770 5.947 1.00 1.34 C ATOM 313 O VAL A 20 9.478 5.489 5.503 1.00 1.32 O ATOM 314 CB VAL A 20 12.298 5.802 7.130 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.004 7.205 6.596 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.022 5.910 8.474 1.00 1.50 C ATOM 0 H VAL A 20 12.244 3.548 8.183 1.00 1.36 H new ATOM 0 HA VAL A 20 10.297 5.635 7.919 1.00 1.38 H new ATOM 0 HB VAL A 20 12.928 5.268 6.418 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.940 7.747 6.462 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.488 7.129 5.639 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.374 7.740 7.307 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.958 6.453 8.341 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.391 6.444 9.185 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.233 4.911 8.855 1.00 1.50 H new ATOM 326 N VAL A 21 10.790 3.747 5.265 1.00 1.33 N ATOM 327 CA VAL A 21 10.206 3.457 3.926 1.00 1.30 C ATOM 328 C VAL A 21 8.713 3.147 4.077 1.00 1.22 C ATOM 329 O VAL A 21 7.909 3.530 3.248 1.00 1.19 O ATOM 330 CB VAL A 21 10.934 2.269 3.283 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.263 1.914 1.949 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.401 2.647 3.024 1.00 1.38 C ATOM 0 H VAL A 21 11.519 3.104 5.574 1.00 1.33 H new ATOM 0 HA VAL A 21 10.326 4.328 3.282 1.00 1.30 H new ATOM 0 HB VAL A 21 10.887 1.412 3.955 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.782 1.070 1.494 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.221 1.647 2.125 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.309 2.772 1.279 1.00 1.26 H new ATOM 0 HG21 VAL A 21 12.919 1.804 2.567 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.443 3.505 2.353 1.00 1.38 H new ATOM 0 HG23 VAL A 21 12.883 2.901 3.968 1.00 1.38 H new ATOM 342 N LYS A 22 8.317 2.485 5.136 1.00 1.19 N ATOM 343 CA LYS A 22 6.875 2.203 5.312 1.00 1.12 C ATOM 344 C LYS A 22 6.190 3.550 5.471 1.00 1.12 C ATOM 345 O LYS A 22 5.142 3.773 4.937 1.00 1.09 O ATOM 346 CB LYS A 22 6.683 1.303 6.553 1.00 1.09 C ATOM 347 CG LYS A 22 5.271 1.460 7.189 1.00 1.03 C ATOM 348 CD LYS A 22 5.347 1.176 8.696 1.00 1.03 C ATOM 349 CE LYS A 22 5.902 2.408 9.430 1.00 1.09 C ATOM 350 NZ LYS A 22 6.682 1.965 10.620 1.00 1.14 N ATOM 0 H LYS A 22 8.928 2.135 5.874 1.00 1.19 H new ATOM 0 HA LYS A 22 6.445 1.671 4.463 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.837 0.262 6.270 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.442 1.547 7.296 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.895 2.469 7.018 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.570 0.773 6.715 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.357 0.928 9.079 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.986 0.312 8.881 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.537 2.988 8.761 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.085 3.060 9.739 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.210 2.293 11.486 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.741 0.927 10.630 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.641 2.366 10.575 1.00 1.14 H new ATOM 364 N LYS A 23 6.784 4.437 6.218 1.00 1.17 N ATOM 365 CA LYS A 23 6.177 5.787 6.431 1.00 1.18 C ATOM 366 C LYS A 23 6.056 6.536 5.095 1.00 1.20 C ATOM 367 O LYS A 23 5.230 7.416 4.935 1.00 1.20 O ATOM 368 CB LYS A 23 7.059 6.595 7.387 1.00 1.25 C ATOM 369 CG LYS A 23 7.061 5.931 8.765 1.00 1.23 C ATOM 370 CD LYS A 23 7.635 6.900 9.800 1.00 1.29 C ATOM 371 CE LYS A 23 7.732 6.199 11.157 1.00 1.36 C ATOM 372 NZ LYS A 23 6.430 5.548 11.475 1.00 1.39 N ATOM 0 H LYS A 23 7.672 4.286 6.696 1.00 1.17 H new ATOM 0 HA LYS A 23 5.182 5.663 6.858 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.076 6.654 6.999 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.688 7.617 7.465 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.047 5.644 9.043 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.655 5.017 8.739 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.620 7.244 9.485 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.000 7.782 9.879 1.00 1.29 H new ATOM 0 HE2 LYS A 23 8.528 5.454 11.137 1.00 1.36 H new ATOM 0 HE3 LYS A 23 7.989 6.920 11.933 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 6.371 5.372 12.498 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 5.650 6.172 11.185 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 6.359 4.645 10.964 1.00 1.39 H new ATOM 386 N THR A 24 6.850 6.190 4.123 1.00 1.22 N ATOM 387 CA THR A 24 6.738 6.890 2.810 1.00 1.24 C ATOM 388 C THR A 24 5.535 6.310 2.097 1.00 1.18 C ATOM 389 O THR A 24 4.827 6.979 1.367 1.00 1.18 O ATOM 390 CB THR A 24 8.005 6.664 1.982 1.00 1.30 C ATOM 391 OG1 THR A 24 9.145 6.914 2.793 1.00 1.36 O ATOM 392 CG2 THR A 24 8.011 7.614 0.783 1.00 1.31 C ATOM 0 H THR A 24 7.564 5.463 4.176 1.00 1.22 H new ATOM 0 HA THR A 24 6.622 7.964 2.952 1.00 1.24 H new ATOM 0 HB THR A 24 8.029 5.635 1.625 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.398 7.858 2.720 1.00 1.36 H new ATOM 0 HG21 THR A 24 8.914 7.452 0.195 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.135 7.423 0.163 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.988 8.645 1.136 1.00 1.31 H new ATOM 400 N LEU A 25 5.271 5.074 2.353 1.00 1.13 N ATOM 401 CA LEU A 25 4.088 4.443 1.754 1.00 1.07 C ATOM 402 C LEU A 25 2.870 5.012 2.482 1.00 1.03 C ATOM 403 O LEU A 25 1.808 5.163 1.918 1.00 0.99 O ATOM 404 CB LEU A 25 4.187 2.934 1.955 1.00 1.03 C ATOM 405 CG LEU A 25 5.438 2.392 1.243 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.546 0.869 1.477 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.370 2.708 -0.271 1.00 1.09 C ATOM 0 H LEU A 25 5.829 4.470 2.956 1.00 1.13 H new ATOM 0 HA LEU A 25 4.010 4.640 0.685 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.235 2.702 3.019 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.295 2.447 1.562 1.00 1.03 H new ATOM 0 HG LEU A 25 6.325 2.876 1.652 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.433 0.485 0.972 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.622 0.670 2.546 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.660 0.376 1.078 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.261 2.319 -0.764 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.484 2.240 -0.701 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.317 3.787 -0.415 1.00 1.09 H new ATOM 419 N ILE A 26 3.042 5.372 3.734 1.00 1.04 N ATOM 420 CA ILE A 26 1.926 5.975 4.502 1.00 1.01 C ATOM 421 C ILE A 26 1.593 7.294 3.824 1.00 1.05 C ATOM 422 O ILE A 26 0.462 7.700 3.778 1.00 1.02 O ATOM 423 CB ILE A 26 2.363 6.204 5.968 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.537 4.837 6.647 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.314 7.027 6.741 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.708 5.006 8.160 1.00 1.01 C ATOM 0 H ILE A 26 3.915 5.270 4.251 1.00 1.04 H new ATOM 0 HA ILE A 26 1.053 5.323 4.519 1.00 1.01 H new ATOM 0 HB ILE A 26 3.301 6.760 5.973 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.670 4.209 6.441 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.406 4.326 6.232 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.649 7.171 7.768 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.187 7.997 6.261 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.363 6.495 6.741 1.00 1.02 H new ATOM 0 HD11 ILE A 26 2.830 4.027 8.624 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.589 5.615 8.361 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.827 5.496 8.573 1.00 1.01 H new ATOM 438 N THR A 27 2.579 7.961 3.286 1.00 1.11 N ATOM 439 CA THR A 27 2.309 9.253 2.593 1.00 1.15 C ATOM 440 C THR A 27 1.481 8.974 1.321 1.00 1.12 C ATOM 441 O THR A 27 0.547 9.685 1.008 1.00 1.12 O ATOM 442 CB THR A 27 3.650 9.929 2.244 1.00 1.23 C ATOM 443 OG1 THR A 27 4.162 10.567 3.405 1.00 1.27 O ATOM 444 CG2 THR A 27 3.453 10.975 1.141 1.00 1.27 C ATOM 0 H THR A 27 3.556 7.668 3.296 1.00 1.11 H new ATOM 0 HA THR A 27 1.742 9.924 3.238 1.00 1.15 H new ATOM 0 HB THR A 27 4.348 9.171 1.889 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.016 10.998 3.192 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.410 11.442 0.907 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.057 10.492 0.248 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.751 11.736 1.482 1.00 1.27 H new ATOM 452 N PHE A 28 1.811 7.935 0.598 1.00 1.10 N ATOM 453 CA PHE A 28 1.041 7.596 -0.646 1.00 1.07 C ATOM 454 C PHE A 28 -0.456 7.504 -0.301 1.00 1.01 C ATOM 455 O PHE A 28 -1.310 8.123 -0.928 1.00 1.02 O ATOM 456 CB PHE A 28 1.555 6.241 -1.174 1.00 1.05 C ATOM 457 CG PHE A 28 1.029 5.941 -2.580 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.212 6.852 -3.642 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.339 4.740 -2.818 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.704 6.560 -4.908 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.161 4.453 -4.092 1.00 0.96 C ATOM 462 CZ PHE A 28 0.017 5.364 -5.135 1.00 1.00 C ATOM 0 H PHE A 28 2.582 7.303 0.813 1.00 1.10 H new ATOM 0 HA PHE A 28 1.177 8.362 -1.409 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.645 6.246 -1.187 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.248 5.446 -0.494 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.746 7.776 -3.475 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.194 4.035 -2.013 1.00 0.97 H new ATOM 0 HE1 PHE A 28 0.842 7.262 -5.717 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.685 3.526 -4.269 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.376 5.145 -6.117 1.00 1.00 H new ATOM 472 N VAL A 29 -0.779 6.743 0.703 1.00 0.97 N ATOM 473 CA VAL A 29 -2.207 6.610 1.110 1.00 0.92 C ATOM 474 C VAL A 29 -2.700 7.960 1.647 1.00 0.95 C ATOM 475 O VAL A 29 -3.815 8.370 1.394 1.00 0.94 O ATOM 476 CB VAL A 29 -2.330 5.537 2.202 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.797 5.098 2.359 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.468 4.326 1.823 1.00 0.85 C ATOM 0 H VAL A 29 -0.117 6.205 1.262 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.812 6.316 0.253 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.986 5.953 3.149 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.868 4.337 3.136 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.406 5.958 2.636 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -4.157 4.687 1.416 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.553 3.562 2.596 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.811 3.919 0.872 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.427 4.635 1.731 1.00 0.85 H new ATOM 488 N ASN A 30 -1.870 8.658 2.379 1.00 0.99 N ATOM 489 CA ASN A 30 -2.276 9.984 2.924 1.00 1.03 C ATOM 490 C ASN A 30 -2.662 10.881 1.756 1.00 1.06 C ATOM 491 O ASN A 30 -3.308 11.881 1.915 1.00 1.09 O ATOM 492 CB ASN A 30 -1.107 10.614 3.704 1.00 1.08 C ATOM 493 CG ASN A 30 -1.633 11.393 4.915 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.637 12.608 4.920 1.00 1.11 O ATOM 495 ND2 ASN A 30 -2.078 10.732 5.946 1.00 1.06 N ATOM 0 H ASN A 30 -0.924 8.363 2.623 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.120 9.866 3.604 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.420 9.835 4.035 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.543 11.280 3.052 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.431 11.235 6.760 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.073 9.712 5.939 1.00 1.06 H new ATOM 502 N LYS A 31 -2.260 10.512 0.583 1.00 1.07 N ATOM 503 CA LYS A 31 -2.588 11.324 -0.614 1.00 1.11 C ATOM 504 C LYS A 31 -4.010 10.987 -1.022 1.00 1.06 C ATOM 505 O LYS A 31 -4.872 11.846 -1.100 1.00 1.08 O ATOM 506 CB LYS A 31 -1.621 10.979 -1.752 1.00 1.13 C ATOM 507 CG LYS A 31 -1.704 12.054 -2.838 1.00 1.18 C ATOM 508 CD LYS A 31 -0.847 11.642 -4.042 1.00 1.19 C ATOM 509 CE LYS A 31 0.634 11.590 -3.644 1.00 1.23 C ATOM 510 NZ LYS A 31 1.479 11.724 -4.864 1.00 1.29 N ATOM 0 H LYS A 31 -1.711 9.673 0.397 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.497 12.388 -0.395 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.602 10.912 -1.370 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.869 10.004 -2.171 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -2.740 12.192 -3.147 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -1.359 13.010 -2.444 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -1.167 10.667 -4.409 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.987 12.351 -4.858 1.00 1.19 H new ATOM 0 HE2 LYS A 31 0.861 12.391 -2.941 1.00 1.23 H new ATOM 0 HE3 LYS A 31 0.853 10.650 -3.138 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 2.483 11.689 -4.596 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 1.268 10.945 -5.520 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 1.276 12.632 -5.329 1.00 1.29 H new ATOM 524 N HIS A 32 -4.277 9.733 -1.252 1.00 1.01 N ATOM 525 CA HIS A 32 -5.652 9.354 -1.621 1.00 0.97 C ATOM 526 C HIS A 32 -6.564 9.760 -0.472 1.00 0.95 C ATOM 527 O HIS A 32 -7.739 10.007 -0.636 1.00 0.95 O ATOM 528 CB HIS A 32 -5.702 7.832 -1.873 1.00 0.91 C ATOM 529 CG HIS A 32 -6.362 7.084 -0.732 1.00 0.93 C ATOM 530 ND1 HIS A 32 -7.655 7.361 -0.309 1.00 0.89 N ATOM 531 CD2 HIS A 32 -5.935 6.035 0.037 1.00 0.98 C ATOM 532 CE1 HIS A 32 -7.956 6.491 0.672 1.00 0.93 C ATOM 533 NE2 HIS A 32 -6.941 5.660 0.923 1.00 0.98 N ATOM 0 H HIS A 32 -3.606 8.967 -1.199 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.979 9.854 -2.533 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -6.247 7.636 -2.797 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.689 7.455 -2.014 1.00 0.91 H new ATOM 0 HD1 HIS A 32 -8.266 8.091 -0.675 1.00 0.89 H new ATOM 0 HD2 HIS A 32 -4.964 5.568 -0.033 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -8.902 6.467 1.193 1.00 0.93 H new ATOM 541 N LEU A 33 -6.012 9.828 0.696 1.00 0.95 N ATOM 542 CA LEU A 33 -6.810 10.212 1.878 1.00 0.94 C ATOM 543 C LEU A 33 -6.825 11.723 1.954 1.00 1.01 C ATOM 544 O LEU A 33 -7.865 12.325 2.106 1.00 1.02 O ATOM 545 CB LEU A 33 -6.153 9.644 3.127 1.00 0.92 C ATOM 546 CG LEU A 33 -6.371 8.123 3.219 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.295 7.512 4.121 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.756 7.803 3.812 1.00 0.84 C ATOM 0 H LEU A 33 -5.029 9.631 0.885 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.827 9.826 1.803 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -5.085 9.862 3.112 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.565 10.129 4.012 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.311 7.704 2.215 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.446 6.435 4.189 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.310 7.715 3.701 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.362 7.951 5.116 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.887 6.722 3.867 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.831 8.229 4.812 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.532 8.231 3.177 1.00 0.84 H new ATOM 560 N ASN A 34 -5.673 12.348 1.842 1.00 1.05 N ATOM 561 CA ASN A 34 -5.637 13.841 1.898 1.00 1.12 C ATOM 562 C ASN A 34 -6.793 14.403 1.062 1.00 1.14 C ATOM 563 O ASN A 34 -7.324 15.452 1.368 1.00 1.18 O ATOM 564 CB ASN A 34 -4.300 14.367 1.355 1.00 1.18 C ATOM 565 CG ASN A 34 -4.381 15.881 1.131 1.00 1.25 C ATOM 566 OD1 ASN A 34 -5.085 16.575 1.838 1.00 1.26 O ATOM 567 ND2 ASN A 34 -3.685 16.425 0.170 1.00 1.29 N ATOM 0 H ASN A 34 -4.769 11.892 1.716 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.739 14.162 2.935 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.498 14.138 2.057 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.057 13.866 0.418 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.732 17.432 0.013 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -3.094 15.843 -0.424 1.00 1.29 H new ATOM 574 N LYS A 35 -7.225 13.712 0.026 1.00 1.11 N ATOM 575 CA LYS A 35 -8.374 14.257 -0.747 1.00 1.13 C ATOM 576 C LYS A 35 -9.626 14.058 0.108 1.00 1.11 C ATOM 577 O LYS A 35 -10.297 15.010 0.452 1.00 1.16 O ATOM 578 CB LYS A 35 -8.481 13.558 -2.106 1.00 1.10 C ATOM 579 CG LYS A 35 -7.598 14.307 -3.118 1.00 0.97 C ATOM 580 CD LYS A 35 -7.352 13.435 -4.347 1.00 1.01 C ATOM 581 CE LYS A 35 -6.377 12.286 -4.030 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.523 12.025 -5.223 1.00 1.15 N ATOM 0 H LYS A 35 -6.842 12.826 -0.303 1.00 1.11 H new ATOM 0 HA LYS A 35 -8.244 15.318 -0.960 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -8.162 12.519 -2.022 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.517 13.547 -2.444 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.081 15.238 -3.414 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -6.648 14.574 -2.656 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -8.298 13.025 -4.700 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.948 14.046 -5.154 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.756 12.546 -3.173 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.931 11.387 -3.761 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.862 11.249 -5.014 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.124 11.760 -6.029 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -4.985 12.883 -5.460 1.00 1.15 H new ATOM 596 N LEU A 36 -9.922 12.850 0.523 1.00 1.04 N ATOM 597 CA LEU A 36 -11.101 12.679 1.427 1.00 1.02 C ATOM 598 C LEU A 36 -10.714 13.346 2.761 1.00 1.05 C ATOM 599 O LEU A 36 -11.453 13.356 3.719 1.00 1.03 O ATOM 600 CB LEU A 36 -11.371 11.178 1.654 1.00 0.95 C ATOM 601 CG LEU A 36 -12.879 10.881 1.825 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.463 11.692 2.986 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.649 11.203 0.527 1.00 0.89 C ATOM 0 H LEU A 36 -9.415 11.998 0.284 1.00 1.04 H new ATOM 0 HA LEU A 36 -12.001 13.123 1.002 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -10.982 10.608 0.810 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.832 10.843 2.540 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.987 9.819 2.046 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.525 11.468 3.089 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -12.946 11.430 3.909 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.334 12.756 2.788 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.708 10.987 0.669 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.524 12.258 0.282 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -13.260 10.592 -0.288 1.00 0.89 H new ATOM 615 N ASN A 37 -9.527 13.888 2.791 1.00 1.11 N ATOM 616 CA ASN A 37 -8.980 14.569 3.991 1.00 1.16 C ATOM 617 C ASN A 37 -9.055 13.681 5.229 1.00 1.11 C ATOM 618 O ASN A 37 -9.804 13.920 6.152 1.00 1.12 O ATOM 619 CB ASN A 37 -9.684 15.900 4.212 1.00 1.22 C ATOM 620 CG ASN A 37 -11.115 15.710 4.727 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.345 15.638 5.917 1.00 1.16 O ATOM 622 ND2 ASN A 37 -12.099 15.650 3.870 1.00 1.21 N ATOM 0 H ASN A 37 -8.890 13.884 1.995 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.923 14.769 3.813 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -9.117 16.497 4.927 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.706 16.459 3.277 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -13.058 15.543 4.201 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.909 15.710 2.870 1.00 1.21 H new ATOM 629 N LEU A 38 -8.227 12.675 5.253 1.00 1.06 N ATOM 630 CA LEU A 38 -8.156 11.739 6.433 1.00 1.02 C ATOM 631 C LEU A 38 -6.687 11.663 6.883 1.00 1.02 C ATOM 632 O LEU A 38 -5.940 12.612 6.755 1.00 1.06 O ATOM 633 CB LEU A 38 -8.687 10.330 6.034 1.00 0.98 C ATOM 634 CG LEU A 38 -10.143 10.108 6.509 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.197 9.952 8.041 1.00 0.96 C ATOM 636 CD2 LEU A 38 -11.041 11.277 6.072 1.00 1.02 C ATOM 0 H LEU A 38 -7.581 12.450 4.496 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.777 12.104 7.251 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.637 10.216 4.951 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.043 9.564 6.465 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.511 9.191 6.048 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.229 9.797 8.355 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.594 9.095 8.341 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -9.806 10.854 8.513 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -12.060 11.101 6.416 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.667 12.205 6.505 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -11.033 11.355 4.985 1.00 1.02 H new ATOM 648 N GLU A 39 -6.276 10.550 7.406 1.00 1.02 N ATOM 649 CA GLU A 39 -4.864 10.408 7.867 1.00 1.03 C ATOM 650 C GLU A 39 -4.552 8.935 8.165 1.00 0.98 C ATOM 651 O GLU A 39 -5.145 8.328 9.035 1.00 0.95 O ATOM 652 CB GLU A 39 -4.660 11.238 9.136 1.00 1.08 C ATOM 653 CG GLU A 39 -3.162 11.398 9.410 1.00 1.11 C ATOM 654 CD GLU A 39 -2.568 12.410 8.429 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.324 12.963 7.648 1.00 1.24 O ATOM 656 OE2 GLU A 39 -1.366 12.615 8.476 1.00 1.13 O ATOM 0 H GLU A 39 -6.858 9.723 7.538 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.195 10.761 7.083 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -5.126 12.217 9.021 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.145 10.752 9.983 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -3.003 11.733 10.435 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.658 10.437 9.307 1.00 1.11 H new ATOM 663 N VAL A 40 -3.616 8.363 7.454 1.00 0.98 N ATOM 664 CA VAL A 40 -3.242 6.931 7.691 1.00 0.94 C ATOM 665 C VAL A 40 -2.058 6.874 8.663 1.00 0.95 C ATOM 666 O VAL A 40 -1.335 7.836 8.827 1.00 0.99 O ATOM 667 CB VAL A 40 -2.845 6.291 6.355 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.790 7.171 5.638 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.289 4.879 6.607 1.00 0.89 C ATOM 0 H VAL A 40 -3.089 8.827 6.714 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.086 6.390 8.118 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.723 6.216 5.714 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.514 6.709 4.690 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.208 8.160 5.451 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.905 7.264 6.268 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.007 4.424 5.657 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.413 4.943 7.253 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.052 4.268 7.089 1.00 0.89 H new ATOM 679 N THR A 41 -1.859 5.753 9.314 1.00 0.93 N ATOM 680 CA THR A 41 -0.723 5.632 10.287 1.00 0.95 C ATOM 681 C THR A 41 -0.066 4.253 10.173 1.00 0.91 C ATOM 682 O THR A 41 1.092 4.087 10.502 1.00 0.96 O ATOM 683 CB THR A 41 -1.262 5.793 11.716 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.343 6.715 11.711 1.00 1.12 O ATOM 685 CG2 THR A 41 -0.155 6.307 12.643 1.00 1.20 C ATOM 0 H THR A 41 -2.433 4.916 9.215 1.00 0.93 H new ATOM 0 HA THR A 41 0.012 6.405 10.062 1.00 0.95 H new ATOM 0 HB THR A 41 -1.606 4.824 12.079 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.689 6.818 12.622 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.549 6.417 13.653 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.672 5.597 12.651 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.200 7.273 12.285 1.00 1.20 H new ATOM 693 N GLU A 42 -0.803 3.256 9.747 1.00 0.86 N ATOM 694 CA GLU A 42 -0.228 1.876 9.649 1.00 0.83 C ATOM 695 C GLU A 42 -0.449 1.308 8.252 1.00 0.81 C ATOM 696 O GLU A 42 -1.406 0.605 8.005 1.00 0.88 O ATOM 697 CB GLU A 42 -0.920 0.972 10.671 1.00 0.78 C ATOM 698 CG GLU A 42 -0.736 1.551 12.075 1.00 0.77 C ATOM 699 CD GLU A 42 -1.192 0.524 13.113 1.00 0.78 C ATOM 700 OE1 GLU A 42 -1.480 -0.595 12.723 1.00 0.84 O ATOM 701 OE2 GLU A 42 -1.247 0.875 14.280 1.00 0.83 O ATOM 0 H GLU A 42 -1.779 3.338 9.462 1.00 0.86 H new ATOM 0 HA GLU A 42 0.843 1.922 9.849 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.981 0.888 10.437 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.502 -0.034 10.624 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.310 1.810 12.239 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -1.312 2.470 12.179 1.00 0.77 H new ATOM 708 N LEU A 43 0.439 1.581 7.337 1.00 0.80 N ATOM 709 CA LEU A 43 0.271 1.026 5.970 1.00 0.78 C ATOM 710 C LEU A 43 0.137 -0.490 6.094 1.00 0.74 C ATOM 711 O LEU A 43 -0.695 -1.114 5.469 1.00 0.70 O ATOM 712 CB LEU A 43 1.502 1.391 5.124 1.00 0.86 C ATOM 713 CG LEU A 43 1.465 0.709 3.738 1.00 0.83 C ATOM 714 CD1 LEU A 43 1.808 -0.796 3.824 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.082 0.902 3.101 1.00 0.90 C ATOM 0 H LEU A 43 1.267 2.160 7.477 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.615 1.436 5.485 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.548 2.473 4.996 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.408 1.093 5.652 1.00 0.86 H new ATOM 0 HG LEU A 43 2.225 1.180 3.115 1.00 0.83 H new ATOM 0 HD11 LEU A 43 1.770 -1.235 2.827 1.00 0.85 H new ATOM 0 HD12 LEU A 43 2.810 -0.918 4.236 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.086 -1.297 4.469 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.061 0.419 2.124 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.679 0.457 3.742 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -0.119 1.967 2.984 1.00 0.90 H new ATOM 727 N GLU A 44 0.965 -1.087 6.895 1.00 0.79 N ATOM 728 CA GLU A 44 0.906 -2.568 7.061 1.00 0.77 C ATOM 729 C GLU A 44 -0.541 -3.043 7.321 1.00 0.69 C ATOM 730 O GLU A 44 -1.107 -3.833 6.584 1.00 0.70 O ATOM 731 CB GLU A 44 1.796 -2.979 8.257 1.00 0.83 C ATOM 732 CG GLU A 44 2.722 -1.830 8.645 1.00 0.84 C ATOM 733 CD GLU A 44 3.695 -2.298 9.729 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.775 -3.496 9.947 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.343 -1.452 10.321 1.00 1.14 O ATOM 0 H GLU A 44 1.684 -0.617 7.445 1.00 0.79 H new ATOM 0 HA GLU A 44 1.262 -3.033 6.142 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.171 -3.255 9.107 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.385 -3.858 7.996 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.274 -1.484 7.771 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.137 -0.985 9.008 1.00 0.84 H new ATOM 742 N THR A 45 -1.120 -2.588 8.390 1.00 0.65 N ATOM 743 CA THR A 45 -2.497 -3.030 8.749 1.00 0.60 C ATOM 744 C THR A 45 -3.544 -2.345 7.875 1.00 0.58 C ATOM 745 O THR A 45 -4.722 -2.610 7.998 1.00 0.58 O ATOM 746 CB THR A 45 -2.769 -2.688 10.216 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.937 -1.284 10.349 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.590 -3.147 11.075 1.00 0.64 C ATOM 0 H THR A 45 -0.698 -1.923 9.038 1.00 0.65 H new ATOM 0 HA THR A 45 -2.564 -4.106 8.588 1.00 0.60 H new ATOM 0 HB THR A 45 -3.675 -3.195 10.547 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.588 -0.994 11.218 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.784 -2.903 12.119 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.462 -4.225 10.972 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.682 -2.641 10.747 1.00 0.64 H new ATOM 756 N GLN A 46 -3.149 -1.480 6.987 1.00 0.59 N ATOM 757 CA GLN A 46 -4.162 -0.820 6.136 1.00 0.59 C ATOM 758 C GLN A 46 -4.628 -1.824 5.098 1.00 0.54 C ATOM 759 O GLN A 46 -5.685 -1.688 4.515 1.00 0.58 O ATOM 760 CB GLN A 46 -3.567 0.419 5.461 1.00 0.65 C ATOM 761 CG GLN A 46 -3.566 1.601 6.460 1.00 0.66 C ATOM 762 CD GLN A 46 -4.791 2.498 6.229 1.00 0.78 C ATOM 763 OE1 GLN A 46 -5.137 2.796 5.103 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.463 2.941 7.256 1.00 1.04 N ATOM 0 H GLN A 46 -2.181 -1.207 6.818 1.00 0.59 H new ATOM 0 HA GLN A 46 -5.007 -0.491 6.741 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.551 0.211 5.126 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.148 0.678 4.576 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.572 1.222 7.482 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.653 2.184 6.342 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.173 2.691 8.201 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.278 3.537 7.113 1.00 1.04 H new ATOM 773 N PHE A 47 -3.854 -2.860 4.889 1.00 0.50 N ATOM 774 CA PHE A 47 -4.249 -3.906 3.925 1.00 0.49 C ATOM 775 C PHE A 47 -4.872 -5.022 4.733 1.00 0.46 C ATOM 776 O PHE A 47 -5.542 -5.892 4.216 1.00 0.49 O ATOM 777 CB PHE A 47 -3.017 -4.408 3.177 1.00 0.54 C ATOM 778 CG PHE A 47 -2.750 -3.519 1.979 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.312 -2.203 2.170 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.944 -4.008 0.682 1.00 0.71 C ATOM 781 CE1 PHE A 47 -2.069 -1.378 1.065 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.701 -3.183 -0.423 1.00 0.83 C ATOM 783 CZ PHE A 47 -2.264 -1.869 -0.231 1.00 0.89 C ATOM 0 H PHE A 47 -2.960 -3.018 5.354 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.953 -3.525 3.185 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.152 -4.410 3.841 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.171 -5.437 2.852 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.161 -1.824 3.170 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.282 -5.023 0.533 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.731 -0.363 1.213 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.851 -3.562 -1.423 1.00 0.83 H new ATOM 0 HZ PHE A 47 -2.077 -1.232 -1.083 1.00 0.89 H new ATOM 793 N ALA A 48 -4.689 -4.964 6.017 1.00 0.42 N ATOM 794 CA ALA A 48 -5.304 -5.981 6.907 1.00 0.40 C ATOM 795 C ALA A 48 -6.801 -5.726 6.919 1.00 0.36 C ATOM 796 O ALA A 48 -7.489 -5.954 7.893 1.00 0.36 O ATOM 797 CB ALA A 48 -4.739 -5.864 8.324 1.00 0.42 C ATOM 0 H ALA A 48 -4.136 -4.251 6.493 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.085 -6.986 6.545 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.201 -6.617 8.963 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.661 -6.020 8.300 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.953 -4.871 8.720 1.00 0.42 H new ATOM 803 N ASP A 49 -7.292 -5.223 5.828 1.00 0.34 N ATOM 804 CA ASP A 49 -8.725 -4.905 5.719 1.00 0.32 C ATOM 805 C ASP A 49 -9.051 -4.529 4.272 1.00 0.31 C ATOM 806 O ASP A 49 -10.196 -4.476 3.880 1.00 0.31 O ATOM 807 CB ASP A 49 -9.003 -3.714 6.624 1.00 0.32 C ATOM 808 CG ASP A 49 -8.160 -2.521 6.169 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.422 -2.010 5.094 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.264 -2.140 6.904 1.00 0.36 O ATOM 0 H ASP A 49 -6.744 -5.017 4.993 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.334 -5.761 6.011 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.062 -3.458 6.592 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.768 -3.966 7.658 1.00 0.32 H new ATOM 815 N GLY A 50 -8.051 -4.266 3.474 1.00 0.32 N ATOM 816 CA GLY A 50 -8.316 -3.878 2.055 1.00 0.33 C ATOM 817 C GLY A 50 -9.401 -2.782 1.996 1.00 0.33 C ATOM 818 O GLY A 50 -9.887 -2.434 0.934 1.00 0.34 O ATOM 0 H GLY A 50 -7.067 -4.302 3.740 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.398 -3.516 1.592 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.638 -4.750 1.486 1.00 0.33 H new ATOM 822 N VAL A 51 -9.789 -2.233 3.122 1.00 0.33 N ATOM 823 CA VAL A 51 -10.842 -1.170 3.110 1.00 0.36 C ATOM 824 C VAL A 51 -10.256 0.122 2.549 1.00 0.40 C ATOM 825 O VAL A 51 -10.675 0.609 1.520 1.00 0.42 O ATOM 826 CB VAL A 51 -11.314 -0.907 4.548 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.151 0.381 4.608 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.162 -2.084 5.056 1.00 0.36 C ATOM 0 H VAL A 51 -9.424 -2.473 4.044 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.678 -1.499 2.493 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.433 -0.796 5.181 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.479 0.555 5.633 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.546 1.224 4.273 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.022 0.279 3.961 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.489 -1.883 6.076 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -13.034 -2.209 4.413 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.565 -2.996 5.039 1.00 0.36 H new ATOM 838 N TYR A 52 -9.285 0.676 3.217 1.00 0.41 N ATOM 839 CA TYR A 52 -8.678 1.933 2.718 1.00 0.47 C ATOM 840 C TYR A 52 -8.093 1.663 1.345 1.00 0.47 C ATOM 841 O TYR A 52 -7.733 2.563 0.615 1.00 0.51 O ATOM 842 CB TYR A 52 -7.574 2.387 3.676 1.00 0.49 C ATOM 843 CG TYR A 52 -8.100 2.365 5.092 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.943 3.390 5.540 1.00 0.48 C ATOM 845 CD2 TYR A 52 -7.748 1.321 5.957 1.00 0.57 C ATOM 846 CE1 TYR A 52 -9.433 3.371 6.851 1.00 0.51 C ATOM 847 CE2 TYR A 52 -8.239 1.302 7.268 1.00 0.60 C ATOM 848 CZ TYR A 52 -9.081 2.327 7.715 1.00 0.57 C ATOM 849 OH TYR A 52 -9.564 2.309 9.008 1.00 0.60 O ATOM 0 H TYR A 52 -8.888 0.312 4.084 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.430 2.719 2.656 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.708 1.731 3.588 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.241 3.392 3.415 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -9.215 4.195 4.874 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -7.098 0.531 5.613 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -10.083 4.162 7.196 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -7.968 0.496 7.934 1.00 0.60 H new ATOM 0 HH TYR A 52 -9.225 1.516 9.473 1.00 0.60 H new ATOM 859 N LEU A 53 -8.002 0.416 0.989 1.00 0.43 N ATOM 860 CA LEU A 53 -7.436 0.068 -0.341 1.00 0.44 C ATOM 861 C LEU A 53 -8.466 0.394 -1.426 1.00 0.45 C ATOM 862 O LEU A 53 -8.161 1.052 -2.403 1.00 0.50 O ATOM 863 CB LEU A 53 -7.073 -1.421 -0.359 1.00 0.41 C ATOM 864 CG LEU A 53 -6.257 -1.787 -1.611 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.988 -0.918 -1.723 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.858 -3.260 -1.503 1.00 0.46 C ATOM 0 H LEU A 53 -8.294 -0.377 1.560 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.533 0.648 -0.534 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.500 -1.668 0.535 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.984 -2.019 -0.329 1.00 0.41 H new ATOM 0 HG LEU A 53 -6.863 -1.610 -2.500 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.432 -1.200 -2.617 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.271 0.133 -1.788 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.363 -1.072 -0.843 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -5.277 -3.545 -2.380 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.257 -3.409 -0.606 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.755 -3.877 -1.446 1.00 0.46 H new ATOM 878 N VAL A 54 -9.691 -0.028 -1.277 1.00 0.43 N ATOM 879 CA VAL A 54 -10.683 0.323 -2.324 1.00 0.46 C ATOM 880 C VAL A 54 -10.871 1.847 -2.311 1.00 0.51 C ATOM 881 O VAL A 54 -11.078 2.476 -3.341 1.00 0.55 O ATOM 882 CB VAL A 54 -12.006 -0.388 -2.040 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.980 -0.143 -3.197 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.741 -1.893 -1.896 1.00 0.41 C ATOM 0 H VAL A 54 -10.039 -0.586 -0.497 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.334 0.005 -3.307 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.443 -0.002 -1.119 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.923 -0.651 -2.993 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.159 0.927 -3.301 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.552 -0.531 -4.121 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.679 -2.410 -1.693 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.308 -2.276 -2.820 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.047 -2.063 -1.072 1.00 0.41 H new ATOM 894 N LEU A 55 -10.758 2.458 -1.157 1.00 0.52 N ATOM 895 CA LEU A 55 -10.895 3.939 -1.098 1.00 0.58 C ATOM 896 C LEU A 55 -9.774 4.542 -1.941 1.00 0.62 C ATOM 897 O LEU A 55 -9.970 5.500 -2.647 1.00 0.66 O ATOM 898 CB LEU A 55 -10.761 4.439 0.349 1.00 0.59 C ATOM 899 CG LEU A 55 -11.812 3.782 1.260 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.749 4.423 2.655 1.00 0.58 C ATOM 901 CD2 LEU A 55 -13.219 3.978 0.675 1.00 0.67 C ATOM 0 H LEU A 55 -10.579 1.998 -0.265 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.875 4.234 -1.473 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.761 4.217 0.723 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.878 5.522 0.375 1.00 0.59 H new ATOM 0 HG LEU A 55 -11.602 2.715 1.331 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.493 3.959 3.303 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -10.756 4.275 3.079 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.953 5.491 2.574 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.954 3.508 1.329 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -13.434 5.043 0.594 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -13.269 3.521 -0.313 1.00 0.67 H new ATOM 913 N LEU A 56 -8.597 3.976 -1.884 1.00 0.62 N ATOM 914 CA LEU A 56 -7.476 4.523 -2.699 1.00 0.66 C ATOM 915 C LEU A 56 -7.909 4.555 -4.153 1.00 0.67 C ATOM 916 O LEU A 56 -7.918 5.591 -4.776 1.00 0.72 O ATOM 917 CB LEU A 56 -6.213 3.646 -2.492 1.00 0.65 C ATOM 918 CG LEU A 56 -5.246 3.710 -3.692 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.785 5.149 -3.929 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.021 2.844 -3.388 1.00 0.66 C ATOM 0 H LEU A 56 -8.366 3.164 -1.312 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.227 5.538 -2.390 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.692 3.972 -1.592 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.516 2.612 -2.328 1.00 0.65 H new ATOM 0 HG LEU A 56 -5.760 3.349 -4.582 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.103 5.177 -4.779 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.650 5.779 -4.137 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.273 5.518 -3.040 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.330 2.882 -4.230 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.523 3.219 -2.494 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.336 1.814 -3.223 1.00 0.66 H new ATOM 932 N MET A 57 -8.275 3.437 -4.694 1.00 0.62 N ATOM 933 CA MET A 57 -8.709 3.409 -6.121 1.00 0.63 C ATOM 934 C MET A 57 -9.648 4.587 -6.415 1.00 0.68 C ATOM 935 O MET A 57 -9.619 5.166 -7.485 1.00 0.72 O ATOM 936 CB MET A 57 -9.443 2.096 -6.401 1.00 0.58 C ATOM 937 CG MET A 57 -8.433 0.948 -6.451 1.00 0.55 C ATOM 938 SD MET A 57 -9.286 -0.589 -6.881 1.00 0.60 S ATOM 939 CE MET A 57 -9.119 -0.448 -8.677 1.00 0.57 C ATOM 0 H MET A 57 -8.295 2.537 -4.215 1.00 0.62 H new ATOM 0 HA MET A 57 -7.830 3.488 -6.760 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.184 1.909 -5.624 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.981 2.162 -7.346 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.657 1.164 -7.186 1.00 0.55 H new ATOM 0 HG3 MET A 57 -7.937 0.843 -5.486 1.00 0.55 H new ATOM 0 HE1 MET A 57 -9.586 -1.310 -9.155 1.00 0.57 H new ATOM 0 HE2 MET A 57 -9.608 0.465 -9.017 1.00 0.57 H new ATOM 0 HE3 MET A 57 -8.062 -0.414 -8.943 1.00 0.57 H new ATOM 949 N GLY A 58 -10.501 4.931 -5.487 1.00 0.67 N ATOM 950 CA GLY A 58 -11.462 6.049 -5.744 1.00 0.73 C ATOM 951 C GLY A 58 -10.830 7.440 -5.601 1.00 0.79 C ATOM 952 O GLY A 58 -10.838 8.223 -6.530 1.00 0.84 O ATOM 0 H GLY A 58 -10.576 4.492 -4.569 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -11.869 5.945 -6.750 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.299 5.965 -5.051 1.00 0.73 H new ATOM 956 N LEU A 59 -10.317 7.775 -4.458 1.00 0.79 N ATOM 957 CA LEU A 59 -9.731 9.135 -4.282 1.00 0.86 C ATOM 958 C LEU A 59 -8.637 9.337 -5.321 1.00 0.88 C ATOM 959 O LEU A 59 -8.211 10.444 -5.584 1.00 0.94 O ATOM 960 CB LEU A 59 -9.200 9.328 -2.841 1.00 0.86 C ATOM 961 CG LEU A 59 -10.381 9.582 -1.891 1.00 0.82 C ATOM 962 CD1 LEU A 59 -10.993 10.992 -2.150 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.451 8.498 -2.083 1.00 0.87 C ATOM 0 H LEU A 59 -10.275 7.172 -3.637 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.503 9.890 -4.432 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.648 8.443 -2.524 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.505 10.167 -2.807 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.018 9.545 -0.864 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -11.828 11.157 -1.469 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -10.233 11.755 -1.983 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -11.347 11.052 -3.179 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.284 8.685 -1.406 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.808 8.518 -3.113 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.021 7.520 -1.867 1.00 0.87 H new ATOM 975 N LEU A 60 -8.199 8.276 -5.939 1.00 0.84 N ATOM 976 CA LEU A 60 -7.158 8.410 -6.991 1.00 0.87 C ATOM 977 C LEU A 60 -7.871 8.819 -8.280 1.00 0.91 C ATOM 978 O LEU A 60 -7.478 9.748 -8.957 1.00 0.96 O ATOM 979 CB LEU A 60 -6.435 7.063 -7.176 1.00 0.82 C ATOM 980 CG LEU A 60 -5.020 7.275 -7.749 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.096 8.091 -9.044 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.119 8.001 -6.723 1.00 0.91 C ATOM 0 H LEU A 60 -8.517 7.324 -5.760 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.412 9.156 -6.718 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.371 6.545 -6.219 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.011 6.425 -7.846 1.00 0.82 H new ATOM 0 HG LEU A 60 -4.585 6.299 -7.964 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.092 8.236 -9.442 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -5.703 7.557 -9.775 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -5.548 9.061 -8.837 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.125 8.141 -7.147 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -4.551 8.972 -6.483 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.045 7.402 -5.815 1.00 0.91 H new ATOM 994 N GLU A 61 -8.939 8.142 -8.605 1.00 0.87 N ATOM 995 CA GLU A 61 -9.700 8.502 -9.831 1.00 0.91 C ATOM 996 C GLU A 61 -10.232 9.929 -9.681 1.00 0.96 C ATOM 997 O GLU A 61 -10.515 10.602 -10.653 1.00 1.00 O ATOM 998 CB GLU A 61 -10.873 7.535 -10.006 1.00 0.86 C ATOM 999 CG GLU A 61 -10.352 6.185 -10.503 1.00 0.82 C ATOM 1000 CD GLU A 61 -11.529 5.232 -10.722 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -12.130 4.829 -9.740 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -11.808 4.921 -11.868 1.00 0.74 O ATOM 0 H GLU A 61 -9.315 7.357 -8.074 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.050 8.439 -10.703 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.398 7.408 -9.059 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -11.592 7.943 -10.716 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -9.799 6.317 -11.433 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -9.658 5.762 -9.777 1.00 0.82 H new ATOM 1009 N GLY A 62 -10.367 10.400 -8.465 1.00 0.95 N ATOM 1010 CA GLY A 62 -10.876 11.787 -8.248 1.00 1.01 C ATOM 1011 C GLY A 62 -12.399 11.766 -8.142 1.00 1.00 C ATOM 1012 O GLY A 62 -13.101 12.273 -8.994 1.00 1.03 O ATOM 0 H GLY A 62 -10.146 9.882 -7.614 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -10.444 12.205 -7.339 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -10.568 12.431 -9.072 1.00 1.01 H new ATOM 1016 N TYR A 63 -12.911 11.185 -7.097 1.00 0.96 N ATOM 1017 CA TYR A 63 -14.390 11.128 -6.918 1.00 0.95 C ATOM 1018 C TYR A 63 -14.716 10.583 -5.526 1.00 0.93 C ATOM 1019 O TYR A 63 -13.836 10.290 -4.741 1.00 0.89 O ATOM 1020 CB TYR A 63 -15.002 10.209 -7.979 1.00 0.91 C ATOM 1021 CG TYR A 63 -16.503 10.392 -7.994 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -17.054 11.601 -8.437 1.00 0.99 C ATOM 1023 CD2 TYR A 63 -17.345 9.356 -7.566 1.00 0.94 C ATOM 1024 CE1 TYR A 63 -18.443 11.774 -8.451 1.00 1.03 C ATOM 1025 CE2 TYR A 63 -18.734 9.530 -7.581 1.00 0.98 C ATOM 1026 CZ TYR A 63 -19.283 10.739 -8.023 1.00 1.02 C ATOM 1027 OH TYR A 63 -20.652 10.910 -8.038 1.00 1.06 O ATOM 0 H TYR A 63 -12.368 10.744 -6.354 1.00 0.96 H new ATOM 0 HA TYR A 63 -14.804 12.131 -7.024 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -14.586 10.440 -8.960 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -14.753 9.170 -7.764 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -16.407 12.400 -8.768 1.00 0.99 H new ATOM 0 HD2 TYR A 63 -16.922 8.423 -7.224 1.00 0.94 H new ATOM 0 HE1 TYR A 63 -18.867 12.707 -8.792 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -19.382 8.731 -7.251 1.00 0.98 H new ATOM 0 HH TYR A 63 -21.087 10.095 -7.711 1.00 1.06 H new ATOM 1037 N PHE A 64 -15.977 10.447 -5.213 1.00 0.95 N ATOM 1038 CA PHE A 64 -16.364 9.923 -3.871 1.00 0.93 C ATOM 1039 C PHE A 64 -16.329 8.392 -3.893 1.00 0.86 C ATOM 1040 O PHE A 64 -16.237 7.779 -4.937 1.00 0.83 O ATOM 1041 CB PHE A 64 -17.780 10.405 -3.532 1.00 0.98 C ATOM 1042 CG PHE A 64 -18.031 10.257 -2.048 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -17.546 11.222 -1.157 1.00 1.07 C ATOM 1044 CD2 PHE A 64 -18.751 9.158 -1.565 1.00 0.98 C ATOM 1045 CE1 PHE A 64 -17.781 11.087 0.217 1.00 1.10 C ATOM 1046 CE2 PHE A 64 -18.985 9.023 -0.191 1.00 1.01 C ATOM 1047 CZ PHE A 64 -18.500 9.988 0.699 1.00 1.07 C ATOM 0 H PHE A 64 -16.757 10.676 -5.829 1.00 0.95 H new ATOM 0 HA PHE A 64 -15.666 10.287 -3.117 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -17.900 11.447 -3.828 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -18.515 9.828 -4.094 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -16.991 12.070 -1.529 1.00 1.07 H new ATOM 0 HD2 PHE A 64 -19.126 8.414 -2.252 1.00 0.98 H new ATOM 0 HE1 PHE A 64 -17.407 11.831 0.904 1.00 1.10 H new ATOM 0 HE2 PHE A 64 -19.540 8.175 0.182 1.00 1.01 H new ATOM 0 HZ PHE A 64 -18.681 9.884 1.759 1.00 1.07 H new ATOM 1057 N VAL A 65 -16.400 7.769 -2.744 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.369 6.274 -2.687 1.00 0.76 C ATOM 1059 C VAL A 65 -17.236 5.817 -1.487 1.00 0.76 C ATOM 1060 O VAL A 65 -16.760 5.837 -0.369 1.00 0.75 O ATOM 1061 CB VAL A 65 -14.903 5.789 -2.493 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -14.673 4.478 -3.256 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -13.929 6.846 -3.020 1.00 0.76 C ATOM 0 H VAL A 65 -16.478 8.233 -1.839 1.00 0.83 H new ATOM 0 HA VAL A 65 -16.758 5.852 -3.613 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.731 5.626 -1.429 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -13.644 4.149 -3.112 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -15.354 3.714 -2.880 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -14.858 4.638 -4.318 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -12.905 6.499 -2.881 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -14.114 7.014 -4.081 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -14.074 7.778 -2.474 1.00 0.76 H new ATOM 1073 N PRO A 66 -18.484 5.437 -1.717 1.00 0.78 N ATOM 1074 CA PRO A 66 -19.357 5.015 -0.605 1.00 0.79 C ATOM 1075 C PRO A 66 -18.713 3.843 0.149 1.00 0.72 C ATOM 1076 O PRO A 66 -18.199 2.915 -0.443 1.00 0.67 O ATOM 1077 CB PRO A 66 -20.695 4.617 -1.272 1.00 0.81 C ATOM 1078 CG PRO A 66 -20.586 4.982 -2.781 1.00 0.82 C ATOM 1079 CD PRO A 66 -19.121 5.390 -3.053 1.00 0.79 C ATOM 0 HA PRO A 66 -19.513 5.799 0.136 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -20.884 3.551 -1.147 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -21.528 5.145 -0.808 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -20.870 4.133 -3.403 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -21.264 5.799 -3.028 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -18.624 4.669 -3.702 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -19.066 6.358 -3.551 1.00 0.79 H new ATOM 1087 N LEU A 67 -18.731 3.889 1.453 1.00 0.73 N ATOM 1088 CA LEU A 67 -18.120 2.796 2.250 1.00 0.68 C ATOM 1089 C LEU A 67 -18.814 1.472 1.925 1.00 0.65 C ATOM 1090 O LEU A 67 -18.227 0.414 2.026 1.00 0.60 O ATOM 1091 CB LEU A 67 -18.288 3.118 3.737 1.00 0.72 C ATOM 1092 CG LEU A 67 -17.243 4.153 4.166 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -17.428 5.441 3.354 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -17.415 4.456 5.657 1.00 0.77 C ATOM 0 H LEU A 67 -19.146 4.643 2.001 1.00 0.73 H new ATOM 0 HA LEU A 67 -17.061 2.708 2.009 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -19.291 3.501 3.924 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -18.178 2.210 4.330 1.00 0.72 H new ATOM 0 HG LEU A 67 -16.243 3.757 3.986 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -16.683 6.175 3.662 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -17.306 5.223 2.293 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -18.426 5.842 3.530 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -16.673 5.192 5.967 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -18.415 4.852 5.835 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -17.279 3.540 6.232 1.00 0.77 H new ATOM 1106 N HIS A 68 -20.062 1.519 1.540 1.00 0.69 N ATOM 1107 CA HIS A 68 -20.795 0.258 1.213 1.00 0.68 C ATOM 1108 C HIS A 68 -20.681 -0.032 -0.283 1.00 0.68 C ATOM 1109 O HIS A 68 -21.288 -0.954 -0.791 1.00 0.72 O ATOM 1110 CB HIS A 68 -22.270 0.416 1.586 1.00 0.75 C ATOM 1111 CG HIS A 68 -22.817 1.661 0.944 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -23.683 1.615 -0.137 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -22.630 2.992 1.219 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -23.983 2.884 -0.469 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -23.367 3.763 0.325 1.00 0.90 N ATOM 0 H HIS A 68 -20.606 2.375 1.437 1.00 0.69 H new ATOM 0 HA HIS A 68 -20.360 -0.568 1.776 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -22.835 -0.455 1.256 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -22.378 0.474 2.669 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -22.006 3.382 2.009 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -24.642 3.158 -1.279 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -23.424 4.781 0.285 1.00 0.90 H new ATOM 1123 N SER A 69 -19.907 0.739 -0.995 1.00 0.66 N ATOM 1124 CA SER A 69 -19.764 0.487 -2.456 1.00 0.67 C ATOM 1125 C SER A 69 -18.906 -0.749 -2.661 1.00 0.61 C ATOM 1126 O SER A 69 -19.056 -1.487 -3.615 1.00 0.63 O ATOM 1127 CB SER A 69 -19.100 1.695 -3.130 1.00 0.69 C ATOM 1128 OG SER A 69 -19.702 1.912 -4.399 1.00 0.69 O ATOM 0 H SER A 69 -19.371 1.527 -0.632 1.00 0.66 H new ATOM 0 HA SER A 69 -20.747 0.332 -2.899 1.00 0.67 H new ATOM 0 HB2 SER A 69 -19.211 2.581 -2.505 1.00 0.69 H new ATOM 0 HB3 SER A 69 -18.031 1.519 -3.247 1.00 0.69 H new ATOM 0 HG SER A 69 -19.282 2.684 -4.833 1.00 0.69 H new ATOM 1134 N PHE A 70 -17.998 -0.962 -1.767 1.00 0.56 N ATOM 1135 CA PHE A 70 -17.089 -2.135 -1.873 1.00 0.51 C ATOM 1136 C PHE A 70 -17.698 -3.323 -1.113 1.00 0.50 C ATOM 1137 O PHE A 70 -18.903 -3.466 -1.038 1.00 0.56 O ATOM 1138 CB PHE A 70 -15.699 -1.754 -1.312 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.619 -1.946 0.192 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -16.730 -1.679 1.004 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -14.425 -2.408 0.771 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -16.649 -1.870 2.388 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -14.350 -2.601 2.156 1.00 0.51 C ATOM 1144 CZ PHE A 70 -15.461 -2.331 2.963 1.00 0.54 C ATOM 0 H PHE A 70 -17.839 -0.368 -0.953 1.00 0.56 H new ATOM 0 HA PHE A 70 -16.967 -2.428 -2.916 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -14.934 -2.361 -1.796 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -15.482 -0.714 -1.557 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -17.649 -1.326 0.561 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.567 -2.614 0.149 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -17.505 -1.661 3.012 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -13.434 -2.959 2.602 1.00 0.51 H new ATOM 0 HZ PHE A 70 -15.401 -2.479 4.031 1.00 0.54 H new ATOM 1154 N PHE A 71 -16.884 -4.168 -0.545 1.00 0.45 N ATOM 1155 CA PHE A 71 -17.430 -5.332 0.211 1.00 0.45 C ATOM 1156 C PHE A 71 -18.138 -4.822 1.471 1.00 0.50 C ATOM 1157 O PHE A 71 -18.401 -3.645 1.612 1.00 0.51 O ATOM 1158 CB PHE A 71 -16.279 -6.270 0.607 1.00 0.41 C ATOM 1159 CG PHE A 71 -15.909 -7.150 -0.568 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -15.325 -6.583 -1.706 1.00 0.41 C ATOM 1161 CD2 PHE A 71 -16.153 -8.529 -0.520 1.00 0.43 C ATOM 1162 CE1 PHE A 71 -14.984 -7.393 -2.795 1.00 0.44 C ATOM 1163 CE2 PHE A 71 -15.813 -9.339 -1.610 1.00 0.46 C ATOM 1164 CZ PHE A 71 -15.228 -8.770 -2.748 1.00 0.46 C ATOM 0 H PHE A 71 -15.866 -4.104 -0.571 1.00 0.45 H new ATOM 0 HA PHE A 71 -18.139 -5.878 -0.411 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -15.414 -5.687 0.923 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -16.575 -6.886 1.456 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -15.137 -5.520 -1.744 1.00 0.41 H new ATOM 0 HD2 PHE A 71 -16.604 -8.967 0.358 1.00 0.43 H new ATOM 0 HE1 PHE A 71 -14.532 -6.955 -3.673 1.00 0.44 H new ATOM 0 HE2 PHE A 71 -16.002 -10.402 -1.573 1.00 0.46 H new ATOM 0 HZ PHE A 71 -14.965 -9.394 -3.589 1.00 0.46 H new ATOM 1174 N LEU A 72 -18.447 -5.698 2.390 1.00 0.54 N ATOM 1175 CA LEU A 72 -19.133 -5.260 3.641 1.00 0.59 C ATOM 1176 C LEU A 72 -18.081 -4.773 4.640 1.00 0.57 C ATOM 1177 O LEU A 72 -17.729 -3.611 4.670 1.00 0.59 O ATOM 1178 CB LEU A 72 -19.902 -6.442 4.247 1.00 0.64 C ATOM 1179 CG LEU A 72 -21.197 -6.701 3.457 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -22.199 -5.545 3.654 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -20.865 -6.854 1.966 1.00 0.71 C ATOM 0 H LEU A 72 -18.254 -6.698 2.329 1.00 0.54 H new ATOM 0 HA LEU A 72 -19.831 -4.454 3.415 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -19.277 -7.335 4.236 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -20.140 -6.233 5.290 1.00 0.64 H new ATOM 0 HG LEU A 72 -21.655 -7.618 3.827 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -23.107 -5.750 3.086 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -22.445 -5.453 4.712 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -21.754 -4.614 3.303 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -21.782 -7.037 1.406 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -20.394 -5.941 1.602 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -20.182 -7.693 1.829 1.00 0.71 H new ATOM 1193 N THR A 73 -17.571 -5.659 5.452 1.00 0.53 N ATOM 1194 CA THR A 73 -16.532 -5.263 6.448 1.00 0.52 C ATOM 1195 C THR A 73 -15.687 -6.509 6.795 1.00 0.44 C ATOM 1196 O THR A 73 -16.252 -7.561 7.017 1.00 0.43 O ATOM 1197 CB THR A 73 -17.219 -4.750 7.718 1.00 0.59 C ATOM 1198 OG1 THR A 73 -16.231 -4.350 8.658 1.00 0.59 O ATOM 1199 CG2 THR A 73 -18.080 -5.860 8.322 1.00 0.61 C ATOM 0 H THR A 73 -17.830 -6.645 5.469 1.00 0.53 H new ATOM 0 HA THR A 73 -15.896 -4.479 6.037 1.00 0.52 H new ATOM 0 HB THR A 73 -17.853 -3.899 7.469 1.00 0.59 H new ATOM 0 HG1 THR A 73 -16.668 -4.020 9.471 1.00 0.59 H new ATOM 0 HG21 THR A 73 -18.567 -5.492 9.225 1.00 0.61 H new ATOM 0 HG22 THR A 73 -18.837 -6.167 7.600 1.00 0.61 H new ATOM 0 HG23 THR A 73 -17.450 -6.714 8.572 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.367 -6.392 6.839 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.518 -7.555 7.167 1.00 0.35 C ATOM 1209 C PRO A 74 -14.043 -8.273 8.415 1.00 0.35 C ATOM 1210 O PRO A 74 -14.352 -7.653 9.413 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.111 -6.957 7.394 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.129 -5.524 6.801 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.611 -5.141 6.580 1.00 0.47 C ATOM 0 HA PRO A 74 -13.510 -8.308 6.379 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.869 -6.932 8.456 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.349 -7.567 6.908 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.647 -4.820 7.480 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.578 -5.489 5.861 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.919 -4.345 7.257 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.779 -4.780 5.566 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.147 -9.585 8.357 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.657 -10.366 9.534 1.00 0.38 C ATOM 1223 C ASP A 75 -13.549 -11.284 10.066 1.00 0.36 C ATOM 1224 O ASP A 75 -13.332 -11.395 11.257 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.862 -11.216 9.071 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.943 -11.254 10.160 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -17.528 -10.215 10.422 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -17.166 -12.319 10.710 1.00 1.34 O ATOM 0 H ASP A 75 -13.900 -10.148 7.543 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.962 -9.687 10.330 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.277 -10.800 8.153 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.533 -12.229 8.841 1.00 0.46 H new ATOM 1233 N SER A 76 -12.875 -11.961 9.182 1.00 0.38 N ATOM 1234 CA SER A 76 -11.794 -12.912 9.586 1.00 0.41 C ATOM 1235 C SER A 76 -10.569 -12.723 8.695 1.00 0.39 C ATOM 1236 O SER A 76 -10.428 -11.750 7.996 1.00 0.37 O ATOM 1237 CB SER A 76 -12.300 -14.343 9.434 1.00 0.51 C ATOM 1238 OG SER A 76 -12.915 -14.491 8.161 1.00 0.54 O ATOM 0 H SER A 76 -13.028 -11.897 8.176 1.00 0.38 H new ATOM 0 HA SER A 76 -11.520 -12.718 10.623 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.473 -15.046 9.535 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.014 -14.574 10.225 1.00 0.51 H new ATOM 0 HG SER A 76 -13.240 -15.410 8.059 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.666 -13.642 8.738 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.451 -13.524 7.903 1.00 0.44 C ATOM 1246 C PHE A 77 -8.806 -13.761 6.459 1.00 0.48 C ATOM 1247 O PHE A 77 -8.564 -12.947 5.613 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.450 -14.580 8.364 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.221 -14.603 7.475 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.494 -13.429 7.237 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.797 -15.813 6.904 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.343 -13.465 6.430 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.654 -15.847 6.099 1.00 0.87 C ATOM 1254 CZ PHE A 77 -3.928 -14.675 5.863 1.00 0.90 C ATOM 0 H PHE A 77 -9.714 -14.479 9.319 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.020 -12.528 8.002 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.153 -14.377 9.393 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.925 -15.561 8.357 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.818 -12.496 7.674 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.355 -16.720 7.087 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.781 -12.561 6.248 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.332 -16.779 5.659 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.045 -14.704 5.242 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.369 -14.872 6.180 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.738 -15.190 4.774 1.00 0.56 C ATOM 1266 C GLU A 78 -10.413 -13.982 4.106 1.00 0.53 C ATOM 1267 O GLU A 78 -10.101 -13.649 2.982 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.680 -16.419 4.773 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.101 -17.545 3.906 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.036 -18.755 3.947 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -11.357 -19.193 5.039 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -11.415 -19.222 2.886 1.00 1.45 O ATOM 0 H GLU A 78 -9.600 -15.594 6.862 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.840 -15.422 4.202 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.822 -16.775 5.793 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.661 -16.131 4.396 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.979 -17.201 2.879 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.112 -17.825 4.268 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.316 -13.311 4.767 1.00 0.46 N ATOM 1280 CA GLN A 79 -11.956 -12.141 4.101 1.00 0.45 C ATOM 1281 C GLN A 79 -10.901 -11.079 3.853 1.00 0.40 C ATOM 1282 O GLN A 79 -10.922 -10.394 2.858 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.106 -11.564 4.931 1.00 0.49 C ATOM 1284 CG GLN A 79 -12.736 -11.470 6.393 1.00 0.49 C ATOM 1285 CD GLN A 79 -11.983 -10.172 6.668 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -11.587 -9.487 5.750 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -11.779 -9.792 7.900 1.00 0.45 N ATOM 0 H GLN A 79 -11.633 -13.514 5.715 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.384 -12.475 3.156 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.367 -10.575 4.556 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.990 -12.192 4.817 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.636 -11.513 7.006 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.118 -12.323 6.674 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -12.112 -10.368 8.673 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.287 -8.919 8.090 1.00 0.45 H new ATOM 1296 N LYS A 80 -9.968 -10.942 4.747 1.00 0.39 N ATOM 1297 CA LYS A 80 -8.896 -9.924 4.539 1.00 0.38 C ATOM 1298 C LYS A 80 -8.063 -10.344 3.327 1.00 0.39 C ATOM 1299 O LYS A 80 -7.886 -9.594 2.388 1.00 0.40 O ATOM 1300 CB LYS A 80 -7.976 -9.844 5.766 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.686 -9.135 6.916 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.709 -8.946 8.079 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.469 -8.442 9.307 1.00 0.51 C ATOM 1304 NZ LYS A 80 -7.554 -8.418 10.484 1.00 1.03 N ATOM 0 H LYS A 80 -9.897 -11.484 5.608 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.355 -8.948 4.382 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.682 -10.847 6.075 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.062 -9.309 5.509 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.064 -8.168 6.584 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.547 -9.719 7.241 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.212 -9.889 8.307 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -6.931 -8.235 7.802 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -8.863 -7.443 9.119 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.323 -9.089 9.510 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.071 -8.075 11.319 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -7.199 -9.378 10.667 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -6.753 -7.784 10.288 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.548 -11.546 3.349 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.720 -12.036 2.210 1.00 0.47 C ATOM 1320 C VAL A 81 -7.483 -11.839 0.906 1.00 0.45 C ATOM 1321 O VAL A 81 -6.906 -11.666 -0.148 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.439 -13.527 2.399 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.461 -14.000 1.326 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.829 -13.767 3.781 1.00 0.56 C ATOM 0 H VAL A 81 -7.667 -12.212 4.112 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.783 -11.480 2.176 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.373 -14.082 2.315 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.260 -15.063 1.460 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -5.895 -13.834 0.340 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.529 -13.441 1.411 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.630 -14.831 3.911 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.896 -13.210 3.869 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.525 -13.431 4.549 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.778 -11.877 0.971 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.596 -11.713 -0.255 1.00 0.44 C ATOM 1336 C LEU A 82 -9.648 -10.262 -0.647 1.00 0.38 C ATOM 1337 O LEU A 82 -9.240 -9.894 -1.709 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.013 -12.213 0.037 1.00 0.47 C ATOM 1339 CG LEU A 82 -11.035 -13.742 0.023 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -12.398 -14.242 0.529 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -10.773 -14.280 -1.405 1.00 0.54 C ATOM 0 H LEU A 82 -9.311 -12.016 1.830 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.155 -12.283 -1.073 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.346 -11.844 1.007 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.707 -11.823 -0.708 1.00 0.47 H new ATOM 0 HG LEU A 82 -10.246 -14.109 0.679 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.412 -15.332 0.519 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -12.561 -13.887 1.546 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -13.188 -13.862 -0.119 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -10.793 -15.370 -1.393 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -11.545 -13.911 -2.080 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -9.797 -13.939 -1.749 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.156 -9.446 0.195 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.246 -8.001 -0.135 1.00 0.32 C ATOM 1355 C ASN A 83 -8.912 -7.525 -0.742 1.00 0.31 C ATOM 1356 O ASN A 83 -8.880 -6.651 -1.590 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.568 -7.216 1.157 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.523 -6.057 0.850 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.181 -4.905 1.027 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.715 -6.325 0.395 1.00 0.36 N ATOM 0 H ASN A 83 -10.521 -9.706 1.111 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.036 -7.829 -0.866 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -11.018 -7.882 1.893 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.647 -6.831 1.596 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.364 -5.566 0.186 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.999 -7.294 0.248 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.809 -8.109 -0.338 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.494 -7.669 -0.917 1.00 0.37 C ATOM 1369 C VAL A 84 -6.213 -8.391 -2.221 1.00 0.39 C ATOM 1370 O VAL A 84 -5.696 -7.815 -3.147 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.332 -7.927 0.051 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.039 -7.420 -0.599 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.583 -7.178 1.373 1.00 0.40 C ATOM 0 H VAL A 84 -7.758 -8.857 0.354 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.571 -6.597 -1.096 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.249 -8.993 0.263 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.200 -7.595 0.075 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.869 -7.952 -1.535 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.127 -6.352 -0.799 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.756 -7.363 2.059 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.659 -6.109 1.176 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.512 -7.532 1.821 1.00 0.40 H new ATOM 1383 N SER A 85 -6.538 -9.639 -2.313 1.00 0.41 N ATOM 1384 CA SER A 85 -6.273 -10.359 -3.583 1.00 0.46 C ATOM 1385 C SER A 85 -7.174 -9.770 -4.659 1.00 0.42 C ATOM 1386 O SER A 85 -6.883 -9.821 -5.827 1.00 0.45 O ATOM 1387 CB SER A 85 -6.578 -11.849 -3.412 1.00 0.50 C ATOM 1388 OG SER A 85 -7.954 -12.079 -3.685 1.00 0.53 O ATOM 0 H SER A 85 -6.972 -10.192 -1.574 1.00 0.41 H new ATOM 0 HA SER A 85 -5.226 -10.250 -3.865 1.00 0.46 H new ATOM 0 HB2 SER A 85 -5.958 -12.439 -4.086 1.00 0.50 H new ATOM 0 HB3 SER A 85 -6.338 -12.167 -2.398 1.00 0.50 H new ATOM 0 HG SER A 85 -8.502 -11.495 -3.120 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.262 -9.200 -4.253 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.211 -8.591 -5.213 1.00 0.36 C ATOM 1396 C PHE A 86 -8.602 -7.301 -5.728 1.00 0.34 C ATOM 1397 O PHE A 86 -8.438 -7.088 -6.909 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.519 -8.299 -4.477 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.360 -7.283 -5.223 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.369 -7.259 -6.623 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.140 -6.371 -4.504 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.158 -6.323 -7.301 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.927 -5.434 -5.182 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.937 -5.410 -6.581 1.00 0.32 C ATOM 0 H PHE A 86 -8.541 -9.128 -3.275 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.409 -9.259 -6.051 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.084 -9.223 -4.357 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.300 -7.927 -3.476 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.767 -7.963 -7.179 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.135 -6.390 -3.424 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.166 -6.305 -8.381 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.527 -4.729 -4.626 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.545 -4.688 -7.105 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.237 -6.439 -4.841 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.602 -5.178 -5.285 1.00 0.33 C ATOM 1416 C ALA A 87 -6.436 -5.566 -6.186 1.00 0.38 C ATOM 1417 O ALA A 87 -6.221 -5.001 -7.236 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.079 -4.420 -4.069 1.00 0.35 C ATOM 0 H ALA A 87 -8.348 -6.547 -3.833 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.311 -4.541 -5.813 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.611 -3.491 -4.393 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.907 -4.194 -3.397 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.345 -5.033 -3.546 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.703 -6.567 -5.777 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.566 -7.047 -6.567 1.00 0.48 C ATOM 1426 C PHE A 88 -5.064 -7.665 -7.857 1.00 0.48 C ATOM 1427 O PHE A 88 -4.311 -7.872 -8.774 1.00 0.53 O ATOM 1428 CB PHE A 88 -3.804 -8.103 -5.768 1.00 0.52 C ATOM 1429 CG PHE A 88 -2.500 -8.391 -6.462 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -1.575 -7.363 -6.621 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.218 -9.673 -6.952 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -0.359 -7.606 -7.270 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.004 -9.920 -7.602 1.00 0.73 C ATOM 1434 CZ PHE A 88 -0.073 -8.884 -7.761 1.00 0.74 C ATOM 0 H PHE A 88 -5.860 -7.074 -4.906 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.908 -6.209 -6.796 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.621 -7.749 -4.753 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.397 -9.014 -5.686 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -1.796 -6.376 -6.243 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -2.937 -10.469 -6.828 1.00 0.66 H new ATOM 0 HE1 PHE A 88 0.358 -6.807 -7.392 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -0.784 -10.907 -7.981 1.00 0.73 H new ATOM 0 HZ PHE A 88 0.865 -9.073 -8.262 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.315 -8.000 -7.940 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.798 -8.629 -9.198 1.00 0.46 C ATOM 1446 C GLU A 89 -7.017 -7.539 -10.245 1.00 0.43 C ATOM 1447 O GLU A 89 -6.462 -7.587 -11.330 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.099 -9.407 -8.907 1.00 0.46 C ATOM 1449 CG GLU A 89 -7.756 -10.854 -8.540 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.523 -11.674 -9.813 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.296 -11.517 -10.744 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -6.576 -12.443 -9.834 1.00 0.63 O ATOM 0 H GLU A 89 -7.014 -7.870 -7.209 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.062 -9.333 -9.586 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.644 -8.933 -8.091 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.751 -9.387 -9.780 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -6.864 -10.878 -7.913 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.566 -11.293 -7.958 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.787 -6.542 -9.930 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.007 -5.457 -10.919 1.00 0.37 C ATOM 1461 C LEU A 90 -6.720 -4.663 -11.085 1.00 0.41 C ATOM 1462 O LEU A 90 -6.550 -3.944 -12.048 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.122 -4.519 -10.441 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.489 -5.213 -10.532 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.552 -4.290 -9.925 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.847 -5.515 -12.003 1.00 0.36 C ATOM 0 H LEU A 90 -8.270 -6.430 -9.039 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.300 -5.899 -11.872 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.931 -4.213 -9.412 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -9.127 -3.613 -11.047 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.450 -6.155 -9.986 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.528 -4.771 -9.983 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -11.308 -4.090 -8.882 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.577 -3.351 -10.478 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.819 -6.007 -12.047 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.886 -4.583 -12.567 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.089 -6.169 -12.435 1.00 0.36 H new ATOM 1478 N MET A 91 -5.797 -4.785 -10.170 1.00 0.43 N ATOM 1479 CA MET A 91 -4.524 -4.013 -10.324 1.00 0.49 C ATOM 1480 C MET A 91 -3.566 -4.834 -11.169 1.00 0.54 C ATOM 1481 O MET A 91 -2.990 -4.354 -12.124 1.00 0.58 O ATOM 1482 CB MET A 91 -3.907 -3.725 -8.956 1.00 0.52 C ATOM 1483 CG MET A 91 -4.811 -2.769 -8.167 1.00 0.48 C ATOM 1484 SD MET A 91 -4.467 -1.063 -8.669 1.00 0.55 S ATOM 1485 CE MET A 91 -3.284 -0.661 -7.358 1.00 0.60 C ATOM 0 H MET A 91 -5.862 -5.372 -9.338 1.00 0.43 H new ATOM 0 HA MET A 91 -4.727 -3.058 -10.810 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.776 -4.655 -8.403 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.917 -3.285 -9.079 1.00 0.52 H new ATOM 0 HG2 MET A 91 -5.859 -3.009 -8.349 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.638 -2.887 -7.097 1.00 0.48 H new ATOM 0 HE1 MET A 91 -2.939 0.366 -7.481 1.00 0.60 H new ATOM 0 HE2 MET A 91 -3.767 -0.767 -6.387 1.00 0.60 H new ATOM 0 HE3 MET A 91 -2.433 -1.339 -7.416 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.419 -6.082 -10.843 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.531 -6.959 -11.645 1.00 0.62 C ATOM 1497 C GLN A 92 -2.959 -6.836 -13.102 1.00 0.61 C ATOM 1498 O GLN A 92 -2.165 -6.982 -14.011 1.00 0.69 O ATOM 1499 CB GLN A 92 -2.678 -8.412 -11.179 1.00 0.64 C ATOM 1500 CG GLN A 92 -1.666 -9.298 -11.908 1.00 0.66 C ATOM 1501 CD GLN A 92 -1.980 -10.769 -11.629 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -3.065 -11.098 -11.192 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -1.069 -11.673 -11.864 1.00 0.67 N ATOM 0 H GLN A 92 -3.877 -6.535 -10.052 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.488 -6.664 -11.526 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.521 -8.475 -10.102 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -3.691 -8.765 -11.374 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -1.703 -9.104 -12.980 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -0.655 -9.062 -11.576 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -0.158 -11.396 -12.231 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -1.267 -12.657 -11.681 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.216 -6.541 -13.331 1.00 0.54 N ATOM 1513 CA ASP A 93 -4.695 -6.379 -14.729 1.00 0.54 C ATOM 1514 C ASP A 93 -4.445 -4.935 -15.143 1.00 0.55 C ATOM 1515 O ASP A 93 -3.796 -4.656 -16.131 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.202 -6.696 -14.785 1.00 0.50 C ATOM 1517 CG ASP A 93 -6.560 -7.354 -16.123 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -6.282 -8.533 -16.274 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -7.105 -6.667 -16.971 1.00 0.80 O ATOM 0 H ASP A 93 -4.925 -6.407 -12.610 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.170 -7.055 -15.404 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.472 -7.359 -13.963 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -6.778 -5.779 -14.657 1.00 0.50 H new ATOM 1524 N GLY A 94 -4.952 -4.020 -14.376 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.745 -2.585 -14.696 1.00 0.61 C ATOM 1526 C GLY A 94 -3.251 -2.262 -14.624 1.00 0.73 C ATOM 1527 O GLY A 94 -2.848 -1.128 -14.792 1.00 0.82 O ATOM 0 H GLY A 94 -5.503 -4.203 -13.538 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.129 -2.363 -15.692 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.298 -1.961 -13.995 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.416 -3.249 -14.383 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.942 -2.977 -14.312 1.00 0.94 C ATOM 1533 C GLY A 95 -0.272 -3.880 -13.267 1.00 0.92 C ATOM 1534 O GLY A 95 -0.543 -5.060 -13.186 1.00 0.91 O ATOM 0 H GLY A 95 -2.688 -4.221 -14.234 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.489 -3.145 -15.289 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.772 -1.931 -14.058 1.00 0.94 H new ATOM 1538 N LEU A 96 0.606 -3.315 -12.471 1.00 0.92 N ATOM 1539 CA LEU A 96 1.328 -4.091 -11.423 1.00 0.91 C ATOM 1540 C LEU A 96 2.007 -5.303 -12.065 1.00 0.94 C ATOM 1541 O LEU A 96 3.189 -5.299 -12.345 1.00 0.95 O ATOM 1542 CB LEU A 96 0.320 -4.535 -10.347 1.00 0.89 C ATOM 1543 CG LEU A 96 0.278 -3.514 -9.193 1.00 0.87 C ATOM 1544 CD1 LEU A 96 -0.276 -2.181 -9.714 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.608 -4.050 -8.043 1.00 0.86 C ATOM 0 H LEU A 96 0.854 -2.326 -12.509 1.00 0.92 H new ATOM 0 HA LEU A 96 2.095 -3.474 -10.956 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.672 -4.635 -10.788 1.00 0.89 H new ATOM 0 HB3 LEU A 96 0.598 -5.516 -9.962 1.00 0.89 H new ATOM 0 HG LEU A 96 1.286 -3.358 -8.809 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -0.307 -1.457 -8.900 1.00 0.93 H new ATOM 0 HD12 LEU A 96 0.368 -1.806 -10.509 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -1.283 -2.333 -10.103 1.00 0.93 H new ATOM 0 HD21 LEU A 96 -0.632 -3.322 -7.232 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -1.620 -4.216 -8.411 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.197 -4.990 -7.675 1.00 0.86 H new ATOM 1557 N GLU A 97 1.257 -6.327 -12.298 1.00 0.96 N ATOM 1558 CA GLU A 97 1.819 -7.558 -12.929 1.00 1.00 C ATOM 1559 C GLU A 97 3.053 -8.036 -12.153 1.00 0.99 C ATOM 1560 O GLU A 97 3.406 -7.495 -11.124 1.00 0.99 O ATOM 1561 CB GLU A 97 2.215 -7.253 -14.380 1.00 1.05 C ATOM 1562 CG GLU A 97 0.964 -7.216 -15.262 1.00 1.13 C ATOM 1563 CD GLU A 97 1.312 -6.590 -16.614 1.00 1.25 C ATOM 1564 OE1 GLU A 97 1.906 -5.525 -16.616 1.00 1.37 O ATOM 1565 OE2 GLU A 97 0.978 -7.188 -17.624 1.00 1.27 O ATOM 0 H GLU A 97 0.262 -6.374 -12.079 1.00 0.96 H new ATOM 0 HA GLU A 97 1.063 -8.343 -12.910 1.00 1.00 H new ATOM 0 HB2 GLU A 97 2.736 -6.297 -14.431 1.00 1.05 H new ATOM 0 HB3 GLU A 97 2.906 -8.012 -14.745 1.00 1.05 H new ATOM 0 HG2 GLU A 97 0.577 -8.225 -15.405 1.00 1.13 H new ATOM 0 HG3 GLU A 97 0.178 -6.639 -14.774 1.00 1.13 H new ATOM 1572 N LYS A 98 3.707 -9.050 -12.654 1.00 1.02 N ATOM 1573 CA LYS A 98 4.923 -9.589 -11.976 1.00 1.01 C ATOM 1574 C LYS A 98 4.707 -9.674 -10.455 1.00 1.00 C ATOM 1575 O LYS A 98 5.336 -8.949 -9.710 1.00 1.04 O ATOM 1576 CB LYS A 98 6.111 -8.671 -12.277 1.00 1.08 C ATOM 1577 CG LYS A 98 6.057 -8.236 -13.746 1.00 1.09 C ATOM 1578 CD LYS A 98 7.422 -7.694 -14.175 1.00 1.13 C ATOM 1579 CE LYS A 98 7.853 -6.576 -13.225 1.00 1.16 C ATOM 1580 NZ LYS A 98 6.703 -5.660 -12.978 1.00 1.18 N ATOM 0 H LYS A 98 3.448 -9.533 -13.514 1.00 1.02 H new ATOM 0 HA LYS A 98 5.122 -10.593 -12.351 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.084 -7.797 -11.626 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.047 -9.191 -12.074 1.00 1.08 H new ATOM 0 HG2 LYS A 98 5.777 -9.081 -14.375 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.293 -7.471 -13.881 1.00 1.09 H new ATOM 0 HD2 LYS A 98 8.161 -8.495 -14.168 1.00 1.13 H new ATOM 0 HD3 LYS A 98 7.370 -7.317 -15.196 1.00 1.13 H new ATOM 0 HE2 LYS A 98 8.203 -6.999 -12.283 1.00 1.16 H new ATOM 0 HE3 LYS A 98 8.687 -6.021 -13.654 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 7.058 -4.703 -12.778 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 6.093 -5.634 -13.820 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 6.154 -6.003 -12.164 1.00 1.18 H new ATOM 1594 N PRO A 99 3.834 -10.565 -10.031 1.00 0.93 N ATOM 1595 CA PRO A 99 3.553 -10.750 -8.594 1.00 0.91 C ATOM 1596 C PRO A 99 4.790 -11.323 -7.891 1.00 0.98 C ATOM 1597 O PRO A 99 5.672 -11.875 -8.519 1.00 1.02 O ATOM 1598 CB PRO A 99 2.380 -11.759 -8.542 1.00 0.84 C ATOM 1599 CG PRO A 99 2.059 -12.178 -10.008 1.00 0.82 C ATOM 1600 CD PRO A 99 3.057 -11.444 -10.933 1.00 0.88 C ATOM 0 HA PRO A 99 3.304 -9.814 -8.093 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.649 -12.630 -7.944 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.506 -11.308 -8.072 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.150 -13.258 -10.126 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.033 -11.915 -10.266 1.00 0.82 H new ATOM 0 HD2 PRO A 99 3.705 -12.149 -11.453 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.537 -10.866 -11.697 1.00 0.88 H new ATOM 1608 N LYS A 100 4.852 -11.213 -6.591 1.00 0.98 N ATOM 1609 CA LYS A 100 6.011 -11.763 -5.848 1.00 1.05 C ATOM 1610 C LYS A 100 5.557 -12.193 -4.429 1.00 1.02 C ATOM 1611 O LYS A 100 5.770 -13.334 -4.069 1.00 1.04 O ATOM 1612 CB LYS A 100 7.139 -10.704 -5.817 1.00 1.11 C ATOM 1613 CG LYS A 100 8.384 -11.177 -6.603 1.00 1.18 C ATOM 1614 CD LYS A 100 9.206 -9.965 -7.061 1.00 1.25 C ATOM 1615 CE LYS A 100 9.545 -9.083 -5.860 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.523 -8.039 -6.275 1.00 1.30 N ATOM 0 H LYS A 100 4.143 -10.762 -6.013 1.00 0.98 H new ATOM 0 HA LYS A 100 6.405 -12.650 -6.343 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.773 -9.769 -6.242 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.417 -10.497 -4.783 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.996 -11.826 -5.976 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.077 -11.766 -7.467 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.122 -10.299 -7.548 1.00 1.25 H new ATOM 0 HD3 LYS A 100 8.644 -9.391 -7.798 1.00 1.25 H new ATOM 0 HE2 LYS A 100 8.640 -8.616 -5.471 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.962 -9.689 -5.056 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.871 -7.536 -5.434 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 11.323 -8.488 -6.766 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.059 -7.364 -6.915 1.00 1.30 H new ATOM 1630 N PRO A 101 4.923 -11.318 -3.653 1.00 0.97 N ATOM 1631 CA PRO A 101 4.449 -11.699 -2.313 1.00 0.95 C ATOM 1632 C PRO A 101 3.030 -12.265 -2.505 1.00 0.89 C ATOM 1633 O PRO A 101 2.671 -12.612 -3.613 1.00 0.89 O ATOM 1634 CB PRO A 101 4.466 -10.366 -1.557 1.00 0.92 C ATOM 1635 CG PRO A 101 4.256 -9.270 -2.614 1.00 0.92 C ATOM 1636 CD PRO A 101 4.619 -9.900 -3.987 1.00 0.95 C ATOM 0 HA PRO A 101 5.030 -12.450 -1.778 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.679 -10.336 -0.804 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.413 -10.227 -1.035 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.224 -8.920 -2.609 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.886 -8.405 -2.406 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.793 -9.823 -4.694 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.476 -9.403 -4.442 1.00 0.95 H new ATOM 1644 N ARG A 102 2.217 -12.374 -1.477 1.00 0.84 N ATOM 1645 CA ARG A 102 0.832 -12.934 -1.671 1.00 0.79 C ATOM 1646 C ARG A 102 -0.199 -12.076 -0.906 1.00 0.71 C ATOM 1647 O ARG A 102 0.133 -11.523 0.120 1.00 0.71 O ATOM 1648 CB ARG A 102 0.803 -14.366 -1.144 1.00 0.83 C ATOM 1649 CG ARG A 102 1.454 -15.295 -2.188 1.00 0.92 C ATOM 1650 CD ARG A 102 0.398 -15.866 -3.146 1.00 0.96 C ATOM 1651 NE ARG A 102 -0.704 -16.532 -2.369 1.00 1.05 N ATOM 1652 CZ ARG A 102 -0.466 -17.500 -1.521 1.00 1.11 C ATOM 1653 NH1 ARG A 102 0.716 -18.048 -1.450 1.00 1.09 N ATOM 1654 NH2 ARG A 102 -1.435 -17.958 -0.777 1.00 1.18 N ATOM 0 H ARG A 102 2.447 -12.103 -0.521 1.00 0.84 H new ATOM 0 HA ARG A 102 0.578 -12.922 -2.731 1.00 0.79 H new ATOM 0 HB2 ARG A 102 1.338 -14.430 -0.197 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.224 -14.676 -0.952 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.204 -14.743 -2.754 1.00 0.92 H new ATOM 0 HG3 ARG A 102 1.972 -16.110 -1.683 1.00 0.92 H new ATOM 0 HD2 ARG A 102 -0.014 -15.067 -3.763 1.00 0.96 H new ATOM 0 HD3 ARG A 102 0.861 -16.584 -3.823 1.00 0.96 H new ATOM 0 HE ARG A 102 -1.665 -16.220 -2.507 1.00 1.05 H new ATOM 0 HH11 ARG A 102 1.466 -17.723 -2.059 1.00 1.09 H new ATOM 0 HH12 ARG A 102 0.890 -18.802 -0.785 1.00 1.09 H new ATOM 0 HH21 ARG A 102 -2.371 -17.562 -0.858 1.00 1.18 H new ATOM 0 HH22 ARG A 102 -1.256 -18.712 -0.114 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.431 -12.002 -1.403 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.503 -11.225 -0.740 1.00 0.59 C ATOM 1670 C PRO A 103 -2.431 -11.435 0.773 1.00 0.59 C ATOM 1671 O PRO A 103 -2.871 -10.613 1.552 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.802 -11.782 -1.349 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.397 -12.503 -2.662 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.863 -12.689 -2.633 1.00 0.67 C ATOM 0 HA PRO A 103 -2.426 -10.149 -0.893 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.288 -12.473 -0.661 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.512 -10.980 -1.550 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.899 -13.467 -2.741 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.696 -11.916 -3.530 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.591 -13.744 -2.614 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.394 -12.255 -3.516 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.851 -12.526 1.184 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.707 -12.803 2.634 1.00 0.65 C ATOM 1684 C GLU A 104 -0.537 -11.984 3.159 1.00 0.67 C ATOM 1685 O GLU A 104 -0.672 -11.177 4.053 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.398 -14.288 2.834 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.597 -15.129 2.401 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.316 -16.605 2.689 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.548 -16.874 3.598 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -2.875 -17.440 1.997 1.00 0.81 O ATOM 0 H GLU A 104 -1.467 -13.244 0.569 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.625 -12.545 3.161 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.518 -14.567 2.254 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.165 -14.483 3.881 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.492 -14.807 2.934 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.790 -14.985 1.338 1.00 0.71 H new ATOM 1697 N ASP A 105 0.609 -12.195 2.579 1.00 0.73 N ATOM 1698 CA ASP A 105 1.840 -11.471 2.988 1.00 0.78 C ATOM 1699 C ASP A 105 1.523 -9.994 3.229 1.00 0.73 C ATOM 1700 O ASP A 105 2.185 -9.320 3.984 1.00 0.77 O ATOM 1701 CB ASP A 105 2.862 -11.609 1.858 1.00 0.83 C ATOM 1702 CG ASP A 105 2.868 -13.051 1.352 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.231 -13.881 1.978 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.513 -13.302 0.347 1.00 0.94 O ATOM 0 H ASP A 105 0.746 -12.859 1.817 1.00 0.73 H new ATOM 0 HA ASP A 105 2.237 -11.890 3.913 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.615 -10.927 1.044 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.854 -11.333 2.215 1.00 0.83 H new ATOM 1709 N ILE A 106 0.502 -9.493 2.609 1.00 0.67 N ATOM 1710 CA ILE A 106 0.130 -8.064 2.822 1.00 0.64 C ATOM 1711 C ILE A 106 -0.717 -7.996 4.095 1.00 0.59 C ATOM 1712 O ILE A 106 -0.283 -7.499 5.116 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.674 -7.545 1.614 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.232 -8.270 0.334 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.453 -6.040 1.439 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.267 -8.051 0.085 1.00 0.72 C ATOM 0 H ILE A 106 -0.096 -10.006 1.962 1.00 0.67 H new ATOM 0 HA ILE A 106 1.020 -7.443 2.924 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.731 -7.738 1.796 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.440 -9.336 0.422 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.806 -7.902 -0.517 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -1.026 -5.685 0.582 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.782 -5.517 2.337 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.606 -5.845 1.273 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.564 -8.571 -0.826 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.466 -6.985 -0.025 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.837 -8.441 0.928 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.915 -8.530 4.046 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.793 -8.548 5.258 1.00 0.51 C ATOM 1730 C VAL A 107 -1.946 -8.967 6.468 1.00 0.53 C ATOM 1731 O VAL A 107 -2.204 -8.587 7.593 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.874 -9.617 5.020 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.614 -10.002 6.316 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.872 -9.097 3.996 1.00 0.46 C ATOM 0 H VAL A 107 -2.323 -8.956 3.214 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.239 -7.570 5.438 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.379 -10.515 4.652 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.366 -10.759 6.094 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.901 -10.400 7.038 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.099 -9.120 6.734 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.641 -9.850 3.823 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.336 -8.184 4.371 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.355 -8.884 3.060 1.00 0.46 H new ATOM 1744 N ASN A 108 -0.952 -9.779 6.225 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.079 -10.283 7.327 1.00 0.63 C ATOM 1746 C ASN A 108 0.590 -9.114 8.066 1.00 0.63 C ATOM 1747 O ASN A 108 1.437 -9.314 8.913 1.00 0.66 O ATOM 1748 CB ASN A 108 1.009 -11.202 6.724 1.00 0.69 C ATOM 1749 CG ASN A 108 1.401 -12.288 7.732 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.558 -12.427 8.074 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.477 -13.066 8.226 1.00 1.35 N ATOM 0 H ASN A 108 -0.704 -10.120 5.296 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.690 -10.838 8.039 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.640 -11.662 5.807 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.885 -10.612 6.454 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.727 -13.791 8.899 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.495 -12.950 7.939 1.00 1.35 H new ATOM 1758 N CYS A 109 0.214 -7.906 7.764 1.00 0.61 N ATOM 1759 CA CYS A 109 0.822 -6.738 8.461 1.00 0.63 C ATOM 1760 C CYS A 109 2.350 -6.812 8.388 1.00 0.70 C ATOM 1761 O CYS A 109 3.038 -5.974 8.937 1.00 0.85 O ATOM 1762 CB CYS A 109 0.381 -6.740 9.927 1.00 0.62 C ATOM 1763 SG CYS A 109 1.130 -5.334 10.785 1.00 0.66 S ATOM 0 H CYS A 109 -0.490 -7.674 7.063 1.00 0.61 H new ATOM 0 HA CYS A 109 0.490 -5.821 7.975 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.706 -6.682 9.991 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.679 -7.673 10.406 1.00 0.62 H new ATOM 0 HG CYS A 109 2.215 -4.976 10.165 1.00 0.66 H new ATOM 1769 N ASP A 110 2.900 -7.790 7.712 1.00 0.72 N ATOM 1770 CA ASP A 110 4.376 -7.860 7.625 1.00 0.79 C ATOM 1771 C ASP A 110 4.854 -6.682 6.796 1.00 0.81 C ATOM 1772 O ASP A 110 4.088 -6.033 6.116 1.00 0.80 O ATOM 1773 CB ASP A 110 4.828 -9.172 6.969 1.00 0.84 C ATOM 1774 CG ASP A 110 4.212 -9.306 5.580 1.00 0.85 C ATOM 1775 OD1 ASP A 110 4.103 -8.301 4.899 1.00 0.88 O ATOM 1776 OD2 ASP A 110 3.866 -10.418 5.216 1.00 0.98 O ATOM 0 H ASP A 110 2.393 -8.529 7.226 1.00 0.72 H new ATOM 0 HA ASP A 110 4.801 -7.826 8.628 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.915 -9.195 6.896 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.532 -10.018 7.589 1.00 0.84 H new ATOM 1781 N LEU A 111 6.109 -6.398 6.861 1.00 0.89 N ATOM 1782 CA LEU A 111 6.675 -5.264 6.097 1.00 0.93 C ATOM 1783 C LEU A 111 7.294 -5.785 4.800 1.00 0.97 C ATOM 1784 O LEU A 111 6.958 -5.362 3.731 1.00 0.96 O ATOM 1785 CB LEU A 111 7.759 -4.597 6.951 1.00 1.02 C ATOM 1786 CG LEU A 111 7.114 -3.681 7.997 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.288 -4.517 8.980 1.00 1.09 C ATOM 1788 CD2 LEU A 111 8.211 -2.933 8.759 1.00 1.12 C ATOM 0 H LEU A 111 6.786 -6.913 7.423 1.00 0.89 H new ATOM 0 HA LEU A 111 5.893 -4.544 5.856 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.363 -5.358 7.445 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.430 -4.020 6.315 1.00 1.02 H new ATOM 0 HG LEU A 111 6.460 -2.966 7.498 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.832 -3.861 9.721 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.507 -5.050 8.438 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.937 -5.235 9.481 1.00 1.09 H new ATOM 0 HD21 LEU A 111 7.756 -2.280 9.504 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.863 -3.651 9.256 1.00 1.12 H new ATOM 0 HD23 LEU A 111 8.796 -2.334 8.061 1.00 1.12 H new ATOM 1800 N LYS A 112 8.219 -6.687 4.919 1.00 1.00 N ATOM 1801 CA LYS A 112 8.938 -7.249 3.735 1.00 1.04 C ATOM 1802 C LYS A 112 8.089 -7.287 2.457 1.00 1.02 C ATOM 1803 O LYS A 112 8.278 -6.516 1.534 1.00 1.04 O ATOM 1804 CB LYS A 112 9.356 -8.677 4.102 1.00 1.06 C ATOM 1805 CG LYS A 112 10.364 -9.238 3.066 1.00 1.12 C ATOM 1806 CD LYS A 112 11.602 -9.819 3.774 1.00 1.15 C ATOM 1807 CE LYS A 112 12.376 -10.732 2.815 1.00 1.20 C ATOM 1808 NZ LYS A 112 11.754 -12.086 2.809 1.00 1.17 N ATOM 0 H LYS A 112 8.520 -7.074 5.813 1.00 1.00 H new ATOM 0 HA LYS A 112 9.787 -6.602 3.513 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.805 -8.686 5.095 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.476 -9.319 4.145 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.885 -10.012 2.466 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.668 -8.447 2.381 1.00 1.12 H new ATOM 0 HD2 LYS A 112 12.247 -9.010 4.119 1.00 1.15 H new ATOM 0 HD3 LYS A 112 11.296 -10.381 4.656 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.368 -10.312 1.809 1.00 1.20 H new ATOM 0 HE3 LYS A 112 13.419 -10.801 3.123 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 12.278 -12.706 2.159 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 11.784 -12.486 3.769 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 10.765 -12.012 2.495 1.00 1.17 H new ATOM 1822 N SER A 113 7.188 -8.196 2.389 1.00 0.98 N ATOM 1823 CA SER A 113 6.335 -8.337 1.175 1.00 0.96 C ATOM 1824 C SER A 113 5.540 -7.049 0.905 1.00 0.92 C ATOM 1825 O SER A 113 5.621 -6.442 -0.149 1.00 0.94 O ATOM 1826 CB SER A 113 5.364 -9.476 1.472 1.00 0.92 C ATOM 1827 OG SER A 113 5.283 -9.646 2.881 1.00 0.90 O ATOM 0 H SER A 113 6.991 -8.868 3.131 1.00 0.98 H new ATOM 0 HA SER A 113 6.948 -8.533 0.295 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.380 -9.251 1.061 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.705 -10.397 0.999 1.00 0.92 H new ATOM 0 HG SER A 113 4.658 -8.990 3.254 1.00 0.90 H new ATOM 1833 N THR A 114 4.758 -6.663 1.859 1.00 0.88 N ATOM 1834 CA THR A 114 3.909 -5.442 1.736 1.00 0.85 C ATOM 1835 C THR A 114 4.706 -4.328 1.046 1.00 0.89 C ATOM 1836 O THR A 114 4.189 -3.578 0.246 1.00 0.89 O ATOM 1837 CB THR A 114 3.445 -5.033 3.160 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.037 -4.854 3.155 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.113 -3.734 3.642 1.00 0.84 C ATOM 0 H THR A 114 4.663 -7.152 2.749 1.00 0.88 H new ATOM 0 HA THR A 114 3.028 -5.633 1.123 1.00 0.85 H new ATOM 0 HB THR A 114 3.737 -5.830 3.844 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.737 -4.597 4.052 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.756 -3.491 4.643 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.194 -3.868 3.666 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.863 -2.921 2.960 1.00 0.84 H new ATOM 1847 N LEU A 115 5.959 -4.232 1.359 1.00 0.95 N ATOM 1848 CA LEU A 115 6.815 -3.195 0.751 1.00 1.00 C ATOM 1849 C LEU A 115 6.985 -3.512 -0.725 1.00 1.02 C ATOM 1850 O LEU A 115 6.855 -2.658 -1.558 1.00 1.02 O ATOM 1851 CB LEU A 115 8.188 -3.202 1.443 1.00 1.06 C ATOM 1852 CG LEU A 115 8.139 -2.373 2.744 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.199 -2.891 3.720 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.426 -0.898 2.431 1.00 1.06 C ATOM 0 H LEU A 115 6.434 -4.842 2.024 1.00 0.95 H new ATOM 0 HA LEU A 115 6.359 -2.212 0.869 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.484 -4.227 1.668 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.943 -2.793 0.772 1.00 1.06 H new ATOM 0 HG LEU A 115 7.148 -2.466 3.189 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.165 -2.306 4.639 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.002 -3.938 3.949 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.186 -2.798 3.268 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.390 -0.317 3.352 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.415 -0.807 1.983 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.676 -0.521 1.735 1.00 1.06 H new ATOM 1866 N ARG A 116 7.278 -4.732 -1.063 1.00 1.03 N ATOM 1867 CA ARG A 116 7.454 -5.054 -2.503 1.00 1.05 C ATOM 1868 C ARG A 116 6.268 -4.496 -3.323 1.00 1.01 C ATOM 1869 O ARG A 116 6.452 -3.837 -4.327 1.00 1.04 O ATOM 1870 CB ARG A 116 7.544 -6.588 -2.649 1.00 1.04 C ATOM 1871 CG ARG A 116 9.001 -7.019 -2.865 1.00 1.10 C ATOM 1872 CD ARG A 116 9.149 -8.523 -2.621 1.00 1.10 C ATOM 1873 NE ARG A 116 8.955 -8.823 -1.175 1.00 1.16 N ATOM 1874 CZ ARG A 116 8.763 -10.055 -0.787 1.00 1.17 C ATOM 1875 NH1 ARG A 116 8.738 -11.020 -1.665 1.00 1.13 N ATOM 1876 NH2 ARG A 116 8.596 -10.322 0.480 1.00 1.23 N ATOM 0 H ARG A 116 7.402 -5.511 -0.416 1.00 1.03 H new ATOM 0 HA ARG A 116 8.367 -4.595 -2.883 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.144 -7.069 -1.756 1.00 1.04 H new ATOM 0 HB3 ARG A 116 6.932 -6.916 -3.489 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.313 -6.775 -3.881 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.655 -6.467 -2.190 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.418 -9.071 -3.216 1.00 1.10 H new ATOM 0 HD3 ARG A 116 10.136 -8.857 -2.942 1.00 1.10 H new ATOM 0 HE ARG A 116 8.972 -8.068 -0.489 1.00 1.16 H new ATOM 0 HH11 ARG A 116 8.868 -10.812 -2.655 1.00 1.13 H new ATOM 0 HH12 ARG A 116 8.588 -11.982 -1.361 1.00 1.13 H new ATOM 0 HH21 ARG A 116 8.615 -9.568 1.167 1.00 1.23 H new ATOM 0 HH22 ARG A 116 8.446 -11.284 0.783 1.00 1.23 H new ATOM 1890 N VAL A 117 5.061 -4.775 -2.913 1.00 0.95 N ATOM 1891 CA VAL A 117 3.865 -4.298 -3.681 1.00 0.91 C ATOM 1892 C VAL A 117 3.658 -2.784 -3.548 1.00 0.92 C ATOM 1893 O VAL A 117 3.467 -2.093 -4.529 1.00 0.94 O ATOM 1894 CB VAL A 117 2.616 -5.041 -3.167 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.335 -4.347 -3.658 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.633 -6.482 -3.687 1.00 0.85 C ATOM 0 H VAL A 117 4.846 -5.315 -2.075 1.00 0.95 H new ATOM 0 HA VAL A 117 4.032 -4.510 -4.737 1.00 0.91 H new ATOM 0 HB VAL A 117 2.629 -5.033 -2.077 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.464 -4.886 -3.285 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.313 -3.321 -3.289 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.319 -4.341 -4.748 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.751 -7.010 -3.325 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.630 -6.476 -4.777 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.530 -6.987 -3.330 1.00 0.85 H new ATOM 1906 N LEU A 118 3.655 -2.264 -2.360 1.00 0.91 N ATOM 1907 CA LEU A 118 3.412 -0.800 -2.207 1.00 0.92 C ATOM 1908 C LEU A 118 4.484 -0.027 -2.975 1.00 0.98 C ATOM 1909 O LEU A 118 4.227 1.022 -3.527 1.00 1.00 O ATOM 1910 CB LEU A 118 3.425 -0.410 -0.710 1.00 0.92 C ATOM 1911 CG LEU A 118 1.988 -0.293 -0.155 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.223 0.851 -0.862 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.247 -1.627 -0.350 1.00 0.81 C ATOM 0 H LEU A 118 3.808 -2.778 -1.492 1.00 0.91 H new ATOM 0 HA LEU A 118 2.433 -0.549 -2.614 1.00 0.92 H new ATOM 0 HB2 LEU A 118 3.979 -1.157 -0.141 1.00 0.92 H new ATOM 0 HB3 LEU A 118 3.946 0.539 -0.582 1.00 0.92 H new ATOM 0 HG LEU A 118 2.040 -0.063 0.909 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.213 0.918 -0.458 1.00 0.86 H new ATOM 0 HD12 LEU A 118 1.744 1.794 -0.695 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.173 0.648 -1.932 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.234 -1.541 0.043 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.205 -1.868 -1.412 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.776 -2.418 0.181 1.00 0.81 H new ATOM 1925 N TYR A 119 5.671 -0.543 -3.030 1.00 1.03 N ATOM 1926 CA TYR A 119 6.742 0.147 -3.777 1.00 1.09 C ATOM 1927 C TYR A 119 6.343 0.157 -5.237 1.00 1.08 C ATOM 1928 O TYR A 119 6.295 1.177 -5.884 1.00 1.11 O ATOM 1929 CB TYR A 119 8.037 -0.641 -3.619 1.00 1.13 C ATOM 1930 CG TYR A 119 9.181 0.179 -4.132 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.758 1.155 -3.321 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.657 -0.041 -5.418 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.826 1.921 -3.805 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.724 0.719 -5.910 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.310 1.702 -5.101 1.00 1.34 C ATOM 1936 OH TYR A 119 12.363 2.454 -5.581 1.00 1.41 O ATOM 0 H TYR A 119 5.946 -1.419 -2.586 1.00 1.03 H new ATOM 0 HA TYR A 119 6.887 1.162 -3.408 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.197 -0.894 -2.571 1.00 1.13 H new ATOM 0 HB3 TYR A 119 7.974 -1.581 -4.167 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.382 1.320 -2.322 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.203 -0.799 -6.039 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.275 2.679 -3.180 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.095 0.549 -6.910 1.00 1.31 H new ATOM 0 HH TYR A 119 12.575 2.174 -6.496 1.00 1.41 H new ATOM 1946 N ASN A 120 6.046 -0.997 -5.742 1.00 1.06 N ATOM 1947 CA ASN A 120 5.626 -1.130 -7.158 1.00 1.05 C ATOM 1948 C ASN A 120 4.615 -0.016 -7.499 1.00 1.03 C ATOM 1949 O ASN A 120 4.632 0.551 -8.581 1.00 1.05 O ATOM 1950 CB ASN A 120 4.975 -2.525 -7.324 1.00 1.01 C ATOM 1951 CG ASN A 120 5.382 -3.149 -8.666 1.00 1.04 C ATOM 1952 OD1 ASN A 120 6.514 -3.022 -9.090 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.499 -3.820 -9.353 1.00 1.06 N ATOM 0 H ASN A 120 6.077 -1.875 -5.223 1.00 1.06 H new ATOM 0 HA ASN A 120 6.478 -1.034 -7.831 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.281 -3.176 -6.505 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.890 -2.436 -7.271 1.00 1.01 H new ATOM 0 HD21 ASN A 120 4.758 -4.238 -10.246 1.00 1.06 H new ATOM 0 HD22 ASN A 120 3.549 -3.926 -8.997 1.00 1.06 H new ATOM 1960 N LEU A 121 3.744 0.313 -6.581 1.00 0.99 N ATOM 1961 CA LEU A 121 2.752 1.383 -6.860 1.00 0.97 C ATOM 1962 C LEU A 121 3.441 2.737 -6.779 1.00 1.03 C ATOM 1963 O LEU A 121 3.520 3.440 -7.752 1.00 1.05 O ATOM 1964 CB LEU A 121 1.627 1.342 -5.819 1.00 0.92 C ATOM 1965 CG LEU A 121 0.517 0.379 -6.259 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.041 -1.056 -6.226 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.670 0.506 -5.301 1.00 0.87 C ATOM 0 H LEU A 121 3.680 -0.113 -5.656 1.00 0.99 H new ATOM 0 HA LEU A 121 2.334 1.228 -7.855 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.028 1.027 -4.855 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.215 2.342 -5.682 1.00 0.92 H new ATOM 0 HG LEU A 121 0.201 0.627 -7.272 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.251 -1.739 -6.539 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.890 -1.149 -6.903 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.356 -1.305 -5.213 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.462 -0.177 -5.610 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.350 0.256 -4.290 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -1.045 1.529 -5.320 1.00 0.87 H new ATOM 1979 N PHE A 122 3.925 3.112 -5.619 1.00 1.05 N ATOM 1980 CA PHE A 122 4.587 4.431 -5.470 1.00 1.11 C ATOM 1981 C PHE A 122 5.437 4.732 -6.677 1.00 1.16 C ATOM 1982 O PHE A 122 5.635 5.860 -7.051 1.00 1.20 O ATOM 1983 CB PHE A 122 5.490 4.374 -4.219 1.00 1.14 C ATOM 1984 CG PHE A 122 5.616 5.739 -3.615 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.473 6.343 -3.138 1.00 1.16 C ATOM 1986 CD2 PHE A 122 6.854 6.388 -3.533 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.539 7.620 -2.562 1.00 1.20 C ATOM 1988 CE2 PHE A 122 6.932 7.663 -2.960 1.00 1.29 C ATOM 1989 CZ PHE A 122 5.772 8.280 -2.474 1.00 1.27 C ATOM 0 H PHE A 122 3.886 2.552 -4.768 1.00 1.05 H new ATOM 0 HA PHE A 122 3.832 5.211 -5.372 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.071 3.682 -3.489 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.475 3.994 -4.489 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.524 5.832 -3.208 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.745 5.907 -3.910 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.643 8.093 -2.188 1.00 1.20 H new ATOM 0 HE2 PHE A 122 7.884 8.169 -2.893 1.00 1.29 H new ATOM 0 HZ PHE A 122 5.828 9.264 -2.032 1.00 1.27 H new ATOM 1999 N THR A 123 5.911 3.728 -7.293 1.00 1.15 N ATOM 2000 CA THR A 123 6.749 3.940 -8.492 1.00 1.20 C ATOM 2001 C THR A 123 5.865 4.350 -9.661 1.00 1.18 C ATOM 2002 O THR A 123 6.121 5.321 -10.344 1.00 1.22 O ATOM 2003 CB THR A 123 7.482 2.642 -8.838 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.197 2.186 -7.698 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.456 2.896 -9.988 1.00 1.27 C ATOM 0 H THR A 123 5.762 2.754 -7.029 1.00 1.15 H new ATOM 0 HA THR A 123 7.477 4.726 -8.293 1.00 1.20 H new ATOM 0 HB THR A 123 6.759 1.884 -9.140 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.567 1.827 -7.039 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.978 1.971 -10.234 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.905 3.245 -10.861 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.181 3.653 -9.690 1.00 1.27 H new ATOM 2013 N LYS A 124 4.840 3.600 -9.904 1.00 1.12 N ATOM 2014 CA LYS A 124 3.951 3.894 -11.054 1.00 1.10 C ATOM 2015 C LYS A 124 3.046 5.108 -10.829 1.00 1.10 C ATOM 2016 O LYS A 124 2.541 5.669 -11.782 1.00 1.11 O ATOM 2017 CB LYS A 124 3.072 2.682 -11.284 1.00 1.04 C ATOM 2018 CG LYS A 124 3.925 1.497 -11.716 1.00 1.04 C ATOM 2019 CD LYS A 124 3.053 0.224 -11.721 1.00 0.99 C ATOM 2020 CE LYS A 124 3.398 -0.624 -12.944 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.493 -1.800 -13.016 1.00 0.92 N ATOM 0 H LYS A 124 4.574 2.786 -9.351 1.00 1.12 H new ATOM 0 HA LYS A 124 4.586 4.122 -11.910 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.530 2.437 -10.371 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.327 2.902 -12.048 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.339 1.673 -12.709 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.768 1.373 -11.037 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.221 -0.349 -10.809 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.997 0.494 -11.738 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.304 -0.026 -13.850 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.435 -0.955 -12.887 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.058 -2.673 -13.009 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.852 -1.795 -12.197 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 1.935 -1.756 -13.893 1.00 0.92 H new ATOM 2035 N TYR A 125 2.797 5.510 -9.607 1.00 1.10 N ATOM 2036 CA TYR A 125 1.876 6.671 -9.381 1.00 1.11 C ATOM 2037 C TYR A 125 2.667 7.917 -8.977 1.00 1.17 C ATOM 2038 O TYR A 125 2.196 9.028 -9.097 1.00 1.20 O ATOM 2039 CB TYR A 125 0.872 6.299 -8.291 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.159 5.336 -8.858 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.207 4.025 -9.210 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.485 5.758 -9.036 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.749 3.147 -9.735 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.438 4.876 -9.562 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.069 3.572 -9.911 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.010 2.705 -10.429 1.00 0.86 O ATOM 0 H TYR A 125 3.186 5.090 -8.763 1.00 1.10 H new ATOM 0 HA TYR A 125 1.346 6.899 -10.306 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.388 5.841 -7.448 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.379 7.195 -7.914 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.226 3.695 -9.075 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.772 6.764 -8.767 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.466 2.140 -10.004 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.458 5.203 -9.698 1.00 0.94 H new ATOM 0 HH TYR A 125 -3.877 3.158 -10.485 1.00 0.86 H new ATOM 2056 N ARG A 126 3.865 7.736 -8.509 1.00 1.20 N ATOM 2057 CA ARG A 126 4.718 8.884 -8.099 1.00 1.27 C ATOM 2058 C ARG A 126 4.588 10.041 -9.104 1.00 1.31 C ATOM 2059 O ARG A 126 4.748 11.196 -8.761 1.00 1.35 O ATOM 2060 CB ARG A 126 6.173 8.359 -8.020 1.00 1.31 C ATOM 2061 CG ARG A 126 7.166 9.367 -8.607 1.00 1.38 C ATOM 2062 CD ARG A 126 8.623 8.894 -8.396 1.00 1.42 C ATOM 2063 NE ARG A 126 9.478 10.045 -7.959 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.421 11.204 -8.564 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.691 11.359 -9.634 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.126 12.205 -8.113 1.00 1.59 N ATOM 0 H ARG A 126 4.300 6.821 -8.390 1.00 1.20 H new ATOM 0 HA ARG A 126 4.408 9.279 -7.132 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.431 8.155 -6.981 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.250 7.415 -8.559 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.972 9.496 -9.672 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.024 10.340 -8.137 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.652 8.103 -7.646 1.00 1.42 H new ATOM 0 HD3 ARG A 126 9.014 8.471 -9.321 1.00 1.42 H new ATOM 0 HE ARG A 126 10.117 9.922 -7.174 1.00 1.49 H new ATOM 0 HH11 ARG A 126 8.158 10.573 -10.006 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.653 12.266 -10.098 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.719 12.082 -7.292 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.085 13.110 -8.582 1.00 1.59 H new ATOM 2080 N ASN A 127 4.330 9.735 -10.338 1.00 1.30 N ATOM 2081 CA ASN A 127 4.222 10.794 -11.376 1.00 1.33 C ATOM 2082 C ASN A 127 2.766 11.217 -11.500 1.00 1.29 C ATOM 2083 O ASN A 127 2.447 12.296 -11.960 1.00 1.31 O ATOM 2084 CB ASN A 127 4.717 10.195 -12.706 1.00 1.35 C ATOM 2085 CG ASN A 127 6.168 10.613 -12.977 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.564 10.773 -14.115 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.981 10.795 -11.973 1.00 1.46 N ATOM 0 H ASN A 127 4.187 8.784 -10.679 1.00 1.30 H new ATOM 0 HA ASN A 127 4.819 11.667 -11.114 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.646 9.108 -12.671 1.00 1.35 H new ATOM 0 HB3 ASN A 127 4.077 10.530 -13.523 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.948 11.071 -12.143 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.650 10.661 -11.018 1.00 1.46 H new ATOM 2094 N VAL A 128 1.894 10.357 -11.095 1.00 1.23 N ATOM 2095 CA VAL A 128 0.436 10.643 -11.171 1.00 1.18 C ATOM 2096 C VAL A 128 -0.086 10.966 -9.775 1.00 1.15 C ATOM 2097 O VAL A 128 0.286 10.362 -8.789 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.262 9.407 -11.746 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.765 9.439 -11.439 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.060 9.370 -13.264 1.00 1.17 C ATOM 0 H VAL A 128 2.128 9.444 -10.704 1.00 1.23 H new ATOM 0 HA VAL A 128 0.238 11.500 -11.814 1.00 1.18 H new ATOM 0 HB VAL A 128 0.171 8.518 -11.287 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.241 8.552 -11.857 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.916 9.457 -10.360 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.208 10.331 -11.882 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.556 8.491 -13.676 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.486 10.269 -13.710 1.00 1.17 H new ATOM 0 HG23 VAL A 128 1.006 9.324 -13.488 1.00 1.17 H new ATOM 2110 N GLU A 129 -0.934 11.937 -9.703 1.00 1.19 N ATOM 2111 CA GLU A 129 -1.502 12.368 -8.415 1.00 1.17 C ATOM 2112 C GLU A 129 -2.390 11.270 -7.826 1.00 1.11 C ATOM 2113 O GLU A 129 -1.899 10.515 -7.004 1.00 1.08 O ATOM 2114 CB GLU A 129 -2.313 13.619 -8.683 1.00 1.21 C ATOM 2115 CG GLU A 129 -1.369 14.704 -9.205 1.00 1.28 C ATOM 2116 CD GLU A 129 -0.563 15.289 -8.042 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -1.159 15.948 -7.207 1.00 1.30 O ATOM 2118 OE2 GLU A 129 0.636 15.068 -8.008 1.00 1.32 O ATOM 2119 OXT GLU A 129 -3.547 11.204 -8.208 1.00 1.08 O ATOM 0 H GLU A 129 -1.266 12.465 -10.510 1.00 1.19 H new ATOM 0 HA GLU A 129 -0.711 12.568 -7.692 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -3.096 13.414 -9.413 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -2.807 13.953 -7.771 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -0.695 14.285 -9.953 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -1.941 15.491 -9.697 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 21.127 2.285 -4.281 1.00 8.77 N ATOM 2128 CA ASP B 1 21.126 1.182 -3.278 1.00 7.64 C ATOM 2129 C ASP B 1 20.609 1.713 -1.938 1.00 6.39 C ATOM 2130 O ASP B 1 19.586 2.364 -1.871 1.00 5.37 O ATOM 2131 CB ASP B 1 22.550 0.649 -3.104 1.00 8.05 C ATOM 2132 CG ASP B 1 23.113 0.239 -4.466 1.00 9.22 C ATOM 2133 OD1 ASP B 1 22.649 -0.753 -5.003 1.00 9.45 O ATOM 2134 OD2 ASP B 1 23.999 0.925 -4.949 1.00 10.03 O ATOM 0 H1 ASP B 1 21.993 2.231 -4.855 1.00 8.77 H new ATOM 0 H2 ASP B 1 20.295 2.193 -4.899 1.00 8.77 H new ATOM 0 H3 ASP B 1 21.094 3.201 -3.790 1.00 8.77 H new ATOM 0 HA ASP B 1 20.478 0.376 -3.623 1.00 7.64 H new ATOM 0 HB2 ASP B 1 23.183 1.413 -2.652 1.00 8.05 H new ATOM 0 HB3 ASP B 1 22.549 -0.205 -2.427 1.00 8.05 H new ATOM 2141 N LEU B 2 21.308 1.441 -0.870 1.00 6.54 N ATOM 2142 CA LEU B 2 20.855 1.932 0.463 1.00 5.60 C ATOM 2143 C LEU B 2 20.634 3.443 0.404 1.00 4.68 C ATOM 2144 O LEU B 2 19.589 3.949 0.767 1.00 3.60 O ATOM 2145 CB LEU B 2 21.927 1.615 1.515 1.00 6.47 C ATOM 2146 CG LEU B 2 22.066 0.089 1.691 1.00 7.32 C ATOM 2147 CD1 LEU B 2 23.456 -0.244 2.240 1.00 8.33 C ATOM 2148 CD2 LEU B 2 21.007 -0.430 2.675 1.00 6.54 C ATOM 0 H LEU B 2 22.173 0.900 -0.863 1.00 6.54 H new ATOM 0 HA LEU B 2 19.921 1.439 0.732 1.00 5.60 H new ATOM 0 HB2 LEU B 2 22.883 2.042 1.211 1.00 6.47 H new ATOM 0 HB3 LEU B 2 21.661 2.075 2.466 1.00 6.47 H new ATOM 0 HG LEU B 2 21.925 -0.387 0.720 1.00 7.32 H new ATOM 0 HD11 LEU B 2 23.550 -1.323 2.363 1.00 8.33 H new ATOM 0 HD12 LEU B 2 24.216 0.109 1.544 1.00 8.33 H new ATOM 0 HD13 LEU B 2 23.593 0.244 3.205 1.00 8.33 H new ATOM 0 HD21 LEU B 2 21.115 -1.508 2.791 1.00 6.54 H new ATOM 0 HD22 LEU B 2 21.141 0.054 3.642 1.00 6.54 H new ATOM 0 HD23 LEU B 2 20.012 -0.205 2.291 1.00 6.54 H new ATOM 2160 N ASP B 3 21.616 4.163 -0.050 1.00 5.20 N ATOM 2161 CA ASP B 3 21.482 5.644 -0.136 1.00 4.64 C ATOM 2162 C ASP B 3 20.390 6.007 -1.144 1.00 3.51 C ATOM 2163 O ASP B 3 19.560 6.854 -0.892 1.00 2.74 O ATOM 2164 CB ASP B 3 22.812 6.251 -0.588 1.00 5.61 C ATOM 2165 CG ASP B 3 22.750 7.774 -0.456 1.00 6.82 C ATOM 2166 OD1 ASP B 3 21.750 8.265 0.042 1.00 6.92 O ATOM 2167 OD2 ASP B 3 23.702 8.423 -0.856 1.00 7.61 O ATOM 0 H ASP B 3 22.511 3.790 -0.367 1.00 5.20 H new ATOM 0 HA ASP B 3 21.214 6.038 0.844 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.628 5.856 0.017 1.00 5.61 H new ATOM 0 HB3 ASP B 3 23.018 5.973 -1.622 1.00 5.61 H new ATOM 2172 N ALA B 4 20.386 5.378 -2.286 1.00 3.85 N ATOM 2173 CA ALA B 4 19.350 5.695 -3.310 1.00 3.42 C ATOM 2174 C ALA B 4 17.958 5.674 -2.672 1.00 2.89 C ATOM 2175 O ALA B 4 17.173 6.586 -2.844 1.00 2.66 O ATOM 2176 CB ALA B 4 19.409 4.656 -4.432 1.00 4.60 C ATOM 0 H ALA B 4 21.056 4.657 -2.555 1.00 3.85 H new ATOM 0 HA ALA B 4 19.542 6.688 -3.716 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.652 4.887 -5.182 1.00 4.60 H new ATOM 0 HB2 ALA B 4 20.396 4.676 -4.895 1.00 4.60 H new ATOM 0 HB3 ALA B 4 19.221 3.664 -4.020 1.00 4.60 H new ATOM 2182 N LEU B 5 17.640 4.639 -1.944 1.00 3.21 N ATOM 2183 CA LEU B 5 16.301 4.554 -1.307 1.00 2.91 C ATOM 2184 C LEU B 5 16.093 5.743 -0.364 1.00 1.92 C ATOM 2185 O LEU B 5 15.181 6.527 -0.536 1.00 2.42 O ATOM 2186 CB LEU B 5 16.214 3.246 -0.512 1.00 3.33 C ATOM 2187 CG LEU B 5 15.986 2.056 -1.468 1.00 4.74 C ATOM 2188 CD1 LEU B 5 16.490 0.766 -0.814 1.00 5.26 C ATOM 2189 CD2 LEU B 5 14.490 1.899 -1.779 1.00 5.44 C ATOM 0 H LEU B 5 18.255 3.846 -1.764 1.00 3.21 H new ATOM 0 HA LEU B 5 15.528 4.575 -2.076 1.00 2.91 H new ATOM 0 HB2 LEU B 5 17.132 3.095 0.056 1.00 3.33 H new ATOM 0 HB3 LEU B 5 15.399 3.304 0.209 1.00 3.33 H new ATOM 0 HG LEU B 5 16.531 2.246 -2.393 1.00 4.74 H new ATOM 0 HD11 LEU B 5 16.328 -0.073 -1.491 1.00 5.26 H new ATOM 0 HD12 LEU B 5 17.555 0.859 -0.600 1.00 5.26 H new ATOM 0 HD13 LEU B 5 15.947 0.593 0.115 1.00 5.26 H new ATOM 0 HD21 LEU B 5 14.345 1.056 -2.454 1.00 5.44 H new ATOM 0 HD22 LEU B 5 13.943 1.721 -0.853 1.00 5.44 H new ATOM 0 HD23 LEU B 5 14.119 2.809 -2.250 1.00 5.44 H new ATOM 2201 N LEU B 6 16.925 5.875 0.635 1.00 1.59 N ATOM 2202 CA LEU B 6 16.769 7.006 1.600 1.00 2.01 C ATOM 2203 C LEU B 6 16.495 8.311 0.846 1.00 2.52 C ATOM 2204 O LEU B 6 15.560 9.028 1.149 1.00 3.51 O ATOM 2205 CB LEU B 6 18.054 7.139 2.432 1.00 2.97 C ATOM 2206 CG LEU B 6 17.951 8.349 3.406 1.00 3.38 C ATOM 2207 CD1 LEU B 6 18.570 7.988 4.764 1.00 4.76 C ATOM 2208 CD2 LEU B 6 18.695 9.567 2.826 1.00 3.25 C ATOM 0 H LEU B 6 17.707 5.249 0.826 1.00 1.59 H new ATOM 0 HA LEU B 6 15.925 6.805 2.260 1.00 2.01 H new ATOM 0 HB2 LEU B 6 18.224 6.223 2.998 1.00 2.97 H new ATOM 0 HB3 LEU B 6 18.911 7.269 1.771 1.00 2.97 H new ATOM 0 HG LEU B 6 16.897 8.594 3.536 1.00 3.38 H new ATOM 0 HD11 LEU B 6 18.493 8.841 5.438 1.00 4.76 H new ATOM 0 HD12 LEU B 6 18.038 7.138 5.192 1.00 4.76 H new ATOM 0 HD13 LEU B 6 19.620 7.727 4.628 1.00 4.76 H new ATOM 0 HD21 LEU B 6 18.615 10.406 3.518 1.00 3.25 H new ATOM 0 HD22 LEU B 6 19.746 9.316 2.680 1.00 3.25 H new ATOM 0 HD23 LEU B 6 18.252 9.842 1.869 1.00 3.25 H new ATOM 2220 N ALA B 7 17.298 8.627 -0.132 1.00 2.20 N ATOM 2221 CA ALA B 7 17.077 9.885 -0.899 1.00 2.86 C ATOM 2222 C ALA B 7 15.684 9.858 -1.530 1.00 3.63 C ATOM 2223 O ALA B 7 15.028 10.873 -1.655 1.00 4.63 O ATOM 2224 CB ALA B 7 18.133 10.002 -2.001 1.00 2.54 C ATOM 0 H ALA B 7 18.097 8.069 -0.433 1.00 2.20 H new ATOM 0 HA ALA B 7 17.156 10.740 -0.227 1.00 2.86 H new ATOM 0 HB1 ALA B 7 17.972 10.922 -2.563 1.00 2.54 H new ATOM 0 HB2 ALA B 7 19.126 10.019 -1.553 1.00 2.54 H new ATOM 0 HB3 ALA B 7 18.053 9.148 -2.673 1.00 2.54 H new ATOM 2230 N ASP B 8 15.227 8.702 -1.928 1.00 3.56 N ATOM 2231 CA ASP B 8 13.877 8.611 -2.550 1.00 4.78 C ATOM 2232 C ASP B 8 12.816 9.015 -1.525 1.00 5.44 C ATOM 2233 O ASP B 8 11.765 9.517 -1.871 1.00 6.57 O ATOM 2234 CB ASP B 8 13.621 7.174 -3.010 1.00 5.06 C ATOM 2235 CG ASP B 8 12.380 7.137 -3.904 1.00 5.28 C ATOM 2236 OD1 ASP B 8 11.291 7.295 -3.379 1.00 5.79 O ATOM 2237 OD2 ASP B 8 12.541 6.953 -5.099 1.00 5.19 O ATOM 0 H ASP B 8 15.730 7.818 -1.849 1.00 3.56 H new ATOM 0 HA ASP B 8 13.827 9.280 -3.409 1.00 4.78 H new ATOM 0 HB2 ASP B 8 14.486 6.796 -3.555 1.00 5.06 H new ATOM 0 HB3 ASP B 8 13.479 6.524 -2.146 1.00 5.06 H new ATOM 2242 N LEU B 9 13.081 8.801 -0.265 1.00 4.79 N ATOM 2243 CA LEU B 9 12.083 9.174 0.777 1.00 5.50 C ATOM 2244 C LEU B 9 12.131 10.688 1.010 1.00 6.37 C ATOM 2245 O LEU B 9 11.178 11.396 0.752 1.00 7.54 O ATOM 2246 CB LEU B 9 12.401 8.438 2.086 1.00 4.72 C ATOM 2247 CG LEU B 9 12.853 7.007 1.781 1.00 3.99 C ATOM 2248 CD1 LEU B 9 12.969 6.224 3.090 1.00 3.18 C ATOM 2249 CD2 LEU B 9 11.833 6.320 0.865 1.00 4.98 C ATOM 0 H LEU B 9 13.943 8.385 0.087 1.00 4.79 H new ATOM 0 HA LEU B 9 11.085 8.890 0.441 1.00 5.50 H new ATOM 0 HB2 LEU B 9 13.183 8.968 2.631 1.00 4.72 H new ATOM 0 HB3 LEU B 9 11.520 8.422 2.728 1.00 4.72 H new ATOM 0 HG LEU B 9 13.821 7.035 1.280 1.00 3.99 H new ATOM 0 HD11 LEU B 9 13.291 5.205 2.877 1.00 3.18 H new ATOM 0 HD12 LEU B 9 13.699 6.707 3.739 1.00 3.18 H new ATOM 0 HD13 LEU B 9 12.000 6.202 3.588 1.00 3.18 H new ATOM 0 HD21 LEU B 9 12.162 5.303 0.653 1.00 4.98 H new ATOM 0 HD22 LEU B 9 10.862 6.292 1.359 1.00 4.98 H new ATOM 0 HD23 LEU B 9 11.750 6.876 -0.069 1.00 4.98 H new ATOM 2261 N GLU B 10 13.235 11.189 1.496 1.00 5.97 N ATOM 2262 CA GLU B 10 13.377 12.609 1.751 1.00 6.96 C ATOM 2263 C GLU B 10 13.362 13.375 0.421 1.00 7.65 C ATOM 2264 O GLU B 10 13.538 14.581 0.453 1.00 8.69 O ATOM 2265 CB GLU B 10 14.729 12.741 2.441 1.00 6.57 C ATOM 2266 CG GLU B 10 14.600 12.488 3.949 1.00 6.56 C ATOM 2267 CD GLU B 10 15.862 12.980 4.660 1.00 6.60 C ATOM 2268 OE1 GLU B 10 16.303 14.076 4.354 1.00 6.36 O ATOM 2269 OE2 GLU B 10 16.367 12.252 5.499 1.00 7.16 O ATOM 2270 OXT GLU B 10 13.178 12.739 -0.603 1.00 7.20 O ATOM 0 H GLU B 10 14.059 10.634 1.727 1.00 5.97 H new ATOM 0 HA GLU B 10 12.571 13.016 2.361 1.00 6.96 H new ATOM 0 HB2 GLU B 10 15.434 12.031 2.008 1.00 6.57 H new ATOM 0 HB3 GLU B 10 15.134 13.738 2.269 1.00 6.57 H new ATOM 0 HG2 GLU B 10 13.724 13.005 4.341 1.00 6.56 H new ATOM 0 HG3 GLU B 10 14.454 11.425 4.139 1.00 6.56 H new TER 2277 GLU B 10