USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 913 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 11 ASN :FLIP amide:sc= -2.06 F(o=-3.2!,f=-2.1) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= -0.0212 USER MOD Set 2.1: A 68 HIS : no HD1:sc= -0.0559 X(o=-0.26,f=-0.25) USER MOD Set 2.2: A 70 ASN : amide:sc= -0.203 K(o=-0.26,f=-2.4!) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0949 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0921 X(o=-0.092,f=-0.092) USER MOD Single : A 9 MET CE :methyl 168:sc= -0.753 (180deg=-1.06) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 22:sc= 0.305 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 0.562 (180deg=0.473) USER MOD Single : A 27 SER OG : rot -57:sc= 1.13 USER MOD Single : A 29 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.037) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -168:sc= 0.618 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= 0.785 (180deg=0.258!) USER MOD Single : A 38 HIS : no HD1:sc= -0.007 X(o=-0.007,f=-0.007) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.951 K(o=0.95,f=-1.2) USER MOD Single : A 45 MET CE :methyl -153:sc= -0.0177 (180deg=-0.671) USER MOD Single : A 51 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 53 SER OG : rot -9:sc= 2 USER MOD Single : A 54 SER OG : rot -170:sc= -0.657 USER MOD Single : A 56 ASN : amide:sc= -0.368 K(o=-0.37,f=-4!) USER MOD Single : A 62 TYR OH : rot 104:sc= 0.0192 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.063 F(o=-1.2!,f=-0.063) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 77 LYS NZ :NH3+ -171:sc=-0.00847 (180deg=-0.0865) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 130:sc= -0.545 USER MOD Single : A 86 MET CE :methyl 161:sc= -0.123 (180deg=-0.556) USER MOD Single : A 87 HIS : no HD1:sc= -0.36 K(o=-0.36,f=-1.1) USER MOD Single : A 93 THR OG1 : rot -90:sc= -1.85! USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 99 SER OG : rot -16:sc= 1.3 USER MOD Single : A 100 GLN : amide:sc= -0.215 K(o=-0.22,f=-0.92) USER MOD Single : A 102 GLN : amide:sc= -0.823 K(o=-0.82,f=-5.9!) USER MOD Single : A 104 ASN : amide:sc= -0.036 K(o=-0.036,f=-1) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc=-6.43e-05 K(o=-6.4e-05,f=-3.6!) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.169 USER MOD Single : A 114 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -13.771 -11.304 14.892 1.00 64.22 N ATOM 2 CA SER A 2 -12.918 -11.166 13.755 1.00 62.43 C ATOM 3 C SER A 2 -11.515 -11.688 14.046 1.00 75.04 C ATOM 4 O SER A 2 -10.719 -11.070 14.746 1.00 10.40 O ATOM 5 CB SER A 2 -12.906 -9.740 13.196 1.00 45.03 C ATOM 6 OG SER A 2 -12.546 -8.771 14.178 1.00 25.21 O ATOM 0 HA SER A 2 -13.337 -11.790 12.966 1.00 62.43 H new ATOM 0 HB2 SER A 2 -12.205 -9.686 12.363 1.00 45.03 H new ATOM 0 HB3 SER A 2 -13.892 -9.501 12.799 1.00 45.03 H new ATOM 0 HG SER A 2 -11.838 -9.133 14.750 1.00 25.21 H new ATOM 12 N SER A 3 -11.272 -12.863 13.571 1.00 54.23 N ATOM 13 CA SER A 3 -9.975 -13.529 13.654 1.00 11.00 C ATOM 14 C SER A 3 -9.848 -14.413 12.431 1.00 14.12 C ATOM 15 O SER A 3 -8.996 -15.302 12.333 1.00 41.15 O ATOM 16 CB SER A 3 -9.890 -14.358 14.937 1.00 21.32 C ATOM 17 OG SER A 3 -10.057 -13.530 16.080 1.00 22.35 O ATOM 0 H SER A 3 -11.981 -13.421 13.095 1.00 54.23 H new ATOM 0 HA SER A 3 -9.163 -12.803 13.682 1.00 11.00 H new ATOM 0 HB2 SER A 3 -10.657 -15.133 14.927 1.00 21.32 H new ATOM 0 HB3 SER A 3 -8.926 -14.864 14.986 1.00 21.32 H new ATOM 0 HG SER A 3 -10.001 -14.077 16.891 1.00 22.35 H new ATOM 23 N ASN A 4 -10.711 -14.120 11.487 1.00 71.13 N ATOM 24 CA ASN A 4 -10.857 -14.824 10.244 1.00 54.42 C ATOM 25 C ASN A 4 -11.338 -13.787 9.285 1.00 70.13 C ATOM 26 O ASN A 4 -11.429 -12.614 9.665 1.00 25.51 O ATOM 27 CB ASN A 4 -11.946 -15.921 10.343 1.00 51.43 C ATOM 28 CG ASN A 4 -11.711 -16.951 11.429 1.00 70.00 C ATOM 29 OD1 ASN A 4 -12.156 -16.772 12.575 1.00 43.20 O ATOM 30 ND2 ASN A 4 -11.038 -18.030 11.097 1.00 73.11 N ATOM 0 H ASN A 4 -11.363 -13.341 11.575 1.00 71.13 H new ATOM 0 HA ASN A 4 -9.923 -15.306 9.954 1.00 54.42 H new ATOM 0 HB2 ASN A 4 -12.910 -15.442 10.518 1.00 51.43 H new ATOM 0 HB3 ASN A 4 -12.014 -16.434 9.384 1.00 51.43 H new ATOM 0 HD21 ASN A 4 -10.865 -18.757 11.791 1.00 73.11 H new ATOM 0 HD22 ASN A 4 -10.689 -18.140 10.145 1.00 73.11 H new ATOM 37 N VAL A 5 -11.672 -14.163 8.093 1.00 4.41 N ATOM 38 CA VAL A 5 -12.181 -13.203 7.163 1.00 30.35 C ATOM 39 C VAL A 5 -13.702 -13.183 7.267 1.00 53.13 C ATOM 40 O VAL A 5 -14.346 -14.193 6.994 1.00 40.02 O ATOM 41 CB VAL A 5 -11.792 -13.549 5.723 1.00 51.13 C ATOM 42 CG1 VAL A 5 -12.214 -12.433 4.779 1.00 33.55 C ATOM 43 CG2 VAL A 5 -10.307 -13.830 5.612 1.00 34.42 C ATOM 0 H VAL A 5 -11.603 -15.118 7.741 1.00 4.41 H new ATOM 0 HA VAL A 5 -11.754 -12.230 7.407 1.00 30.35 H new ATOM 0 HB VAL A 5 -12.319 -14.458 5.433 1.00 51.13 H new ATOM 0 HG11 VAL A 5 -11.931 -12.693 3.759 1.00 33.55 H new ATOM 0 HG12 VAL A 5 -13.294 -12.300 4.833 1.00 33.55 H new ATOM 0 HG13 VAL A 5 -11.719 -11.506 5.068 1.00 33.55 H new ATOM 0 HG21 VAL A 5 -10.059 -14.073 4.579 1.00 34.42 H new ATOM 0 HG22 VAL A 5 -9.746 -12.949 5.922 1.00 34.42 H new ATOM 0 HG23 VAL A 5 -10.047 -14.671 6.255 1.00 34.42 H new ATOM 53 N PRO A 6 -14.291 -12.058 7.695 1.00 45.21 N ATOM 54 CA PRO A 6 -15.742 -11.928 7.794 1.00 24.32 C ATOM 55 C PRO A 6 -16.427 -12.037 6.429 1.00 43.24 C ATOM 56 O PRO A 6 -15.797 -11.903 5.386 1.00 54.23 O ATOM 57 CB PRO A 6 -15.958 -10.523 8.367 1.00 41.41 C ATOM 58 CG PRO A 6 -14.641 -10.112 8.919 1.00 43.21 C ATOM 59 CD PRO A 6 -13.598 -10.847 8.135 1.00 71.41 C ATOM 0 HA PRO A 6 -16.167 -12.722 8.408 1.00 24.32 H new ATOM 0 HB2 PRO A 6 -16.293 -9.831 7.594 1.00 41.41 H new ATOM 0 HB3 PRO A 6 -16.724 -10.529 9.143 1.00 41.41 H new ATOM 0 HG2 PRO A 6 -14.504 -9.034 8.831 1.00 43.21 H new ATOM 0 HG3 PRO A 6 -14.572 -10.356 9.979 1.00 43.21 H new ATOM 0 HD2 PRO A 6 -13.243 -10.258 7.289 1.00 71.41 H new ATOM 0 HD3 PRO A 6 -12.728 -11.083 8.747 1.00 71.41 H new ATOM 67 N ALA A 7 -17.718 -12.207 6.459 1.00 25.43 N ATOM 68 CA ALA A 7 -18.525 -12.376 5.275 1.00 62.05 C ATOM 69 C ALA A 7 -19.003 -11.028 4.795 1.00 23.44 C ATOM 70 O ALA A 7 -19.883 -10.922 3.941 1.00 64.32 O ATOM 71 CB ALA A 7 -19.701 -13.283 5.579 1.00 33.13 C ATOM 0 H ALA A 7 -18.255 -12.233 7.326 1.00 25.43 H new ATOM 0 HA ALA A 7 -17.928 -12.837 4.488 1.00 62.05 H new ATOM 0 HB1 ALA A 7 -20.307 -13.407 4.681 1.00 33.13 H new ATOM 0 HB2 ALA A 7 -19.335 -14.256 5.907 1.00 33.13 H new ATOM 0 HB3 ALA A 7 -20.308 -12.839 6.368 1.00 33.13 H new ATOM 77 N ASP A 8 -18.424 -9.998 5.360 1.00 24.14 N ATOM 78 CA ASP A 8 -18.716 -8.639 4.960 1.00 62.22 C ATOM 79 C ASP A 8 -17.430 -7.981 4.515 1.00 42.22 C ATOM 80 O ASP A 8 -17.423 -6.845 4.058 1.00 1.41 O ATOM 81 CB ASP A 8 -19.309 -7.817 6.114 1.00 4.51 C ATOM 82 CG ASP A 8 -20.564 -8.396 6.706 1.00 73.53 C ATOM 83 OD1 ASP A 8 -20.463 -9.246 7.604 1.00 53.23 O ATOM 84 OD2 ASP A 8 -21.666 -8.000 6.318 1.00 24.54 O ATOM 0 H ASP A 8 -17.737 -10.075 6.110 1.00 24.14 H new ATOM 0 HA ASP A 8 -19.449 -8.673 4.154 1.00 62.22 H new ATOM 0 HB2 ASP A 8 -18.560 -7.724 6.900 1.00 4.51 H new ATOM 0 HB3 ASP A 8 -19.522 -6.810 5.755 1.00 4.51 H new ATOM 89 N MET A 9 -16.338 -8.702 4.643 1.00 43.51 N ATOM 90 CA MET A 9 -15.044 -8.166 4.313 1.00 74.10 C ATOM 91 C MET A 9 -14.364 -9.094 3.353 1.00 41.10 C ATOM 92 O MET A 9 -14.636 -10.294 3.335 1.00 2.23 O ATOM 93 CB MET A 9 -14.171 -8.041 5.576 1.00 23.44 C ATOM 94 CG MET A 9 -14.784 -7.215 6.701 1.00 63.22 C ATOM 95 SD MET A 9 -15.035 -5.480 6.296 1.00 74.44 S ATOM 96 CE MET A 9 -13.350 -4.910 6.167 1.00 1.12 C ATOM 0 H MET A 9 -16.325 -9.666 4.976 1.00 43.51 H new ATOM 0 HA MET A 9 -15.175 -7.179 3.870 1.00 74.10 H new ATOM 0 HB2 MET A 9 -13.959 -9.041 5.954 1.00 23.44 H new ATOM 0 HB3 MET A 9 -13.216 -7.596 5.297 1.00 23.44 H new ATOM 0 HG2 MET A 9 -15.743 -7.654 6.977 1.00 63.22 H new ATOM 0 HG3 MET A 9 -14.139 -7.282 7.577 1.00 63.22 H new ATOM 0 HE1 MET A 9 -13.335 -3.918 5.716 1.00 1.12 H new ATOM 0 HE2 MET A 9 -12.904 -4.864 7.161 1.00 1.12 H new ATOM 0 HE3 MET A 9 -12.779 -5.600 5.545 1.00 1.12 H new ATOM 106 N ILE A 10 -13.515 -8.561 2.560 1.00 62.45 N ATOM 107 CA ILE A 10 -12.727 -9.349 1.673 1.00 21.55 C ATOM 108 C ILE A 10 -11.263 -9.293 2.113 1.00 53.31 C ATOM 109 O ILE A 10 -10.775 -8.246 2.566 1.00 43.13 O ATOM 110 CB ILE A 10 -12.970 -8.981 0.151 1.00 64.13 C ATOM 111 CG1 ILE A 10 -12.837 -7.502 -0.148 1.00 71.35 C ATOM 112 CG2 ILE A 10 -14.306 -9.462 -0.342 1.00 34.30 C ATOM 113 CD1 ILE A 10 -11.436 -7.000 -0.275 1.00 55.31 C ATOM 0 H ILE A 10 -13.340 -7.558 2.502 1.00 62.45 H new ATOM 0 HA ILE A 10 -13.044 -10.390 1.736 1.00 21.55 H new ATOM 0 HB ILE A 10 -12.175 -9.502 -0.383 1.00 64.13 H new ATOM 0 HG12 ILE A 10 -13.368 -7.286 -1.075 1.00 71.35 H new ATOM 0 HG13 ILE A 10 -13.336 -6.942 0.643 1.00 71.35 H new ATOM 0 HG21 ILE A 10 -14.428 -9.187 -1.390 1.00 34.30 H new ATOM 0 HG22 ILE A 10 -14.362 -10.546 -0.243 1.00 34.30 H new ATOM 0 HG23 ILE A 10 -15.099 -9.002 0.248 1.00 34.30 H new ATOM 0 HD11 ILE A 10 -11.450 -5.931 -0.489 1.00 55.31 H new ATOM 0 HD12 ILE A 10 -10.900 -7.176 0.658 1.00 55.31 H new ATOM 0 HD13 ILE A 10 -10.933 -7.526 -1.087 1.00 55.31 H new ATOM 125 N ASN A 11 -10.590 -10.408 2.051 1.00 44.52 N ATOM 126 CA ASN A 11 -9.215 -10.487 2.514 1.00 21.31 C ATOM 127 C ASN A 11 -8.317 -10.117 1.364 1.00 4.35 C ATOM 128 O ASN A 11 -8.274 -10.812 0.351 1.00 13.22 O ATOM 129 CB ASN A 11 -8.917 -11.918 2.988 1.00 45.42 C ATOM 130 CG ASN A 11 -7.545 -12.158 3.661 1.00 55.15 C ATOM 131 OD1 ASN A 11 -6.542 -11.379 3.359 1.00 54.14 O flip ATOM 132 ND2 ASN A 11 -7.411 -13.068 4.468 1.00 34.40 N flip ATOM 0 H ASN A 11 -10.965 -11.283 1.684 1.00 44.52 H new ATOM 0 HA ASN A 11 -9.047 -9.807 3.349 1.00 21.31 H new ATOM 0 HB2 ASN A 11 -9.696 -12.212 3.691 1.00 45.42 H new ATOM 0 HB3 ASN A 11 -8.995 -12.584 2.129 1.00 45.42 H new ATOM 0 HD21 ASN A 11 -8.203 -13.669 4.695 1.00 34.40 H new ATOM 0 HD22 ASN A 11 -6.507 -13.225 4.914 1.00 34.40 H new ATOM 139 N LEU A 12 -7.603 -9.051 1.510 1.00 61.51 N ATOM 140 CA LEU A 12 -6.784 -8.570 0.444 1.00 3.23 C ATOM 141 C LEU A 12 -5.350 -8.350 0.879 1.00 44.24 C ATOM 142 O LEU A 12 -5.085 -7.771 1.937 1.00 13.50 O ATOM 143 CB LEU A 12 -7.398 -7.282 -0.097 1.00 10.24 C ATOM 144 CG LEU A 12 -6.603 -6.512 -1.136 1.00 74.05 C ATOM 145 CD1 LEU A 12 -6.297 -7.346 -2.355 1.00 42.23 C ATOM 146 CD2 LEU A 12 -7.330 -5.249 -1.505 1.00 3.50 C ATOM 0 H LEU A 12 -7.569 -8.492 2.362 1.00 61.51 H new ATOM 0 HA LEU A 12 -6.750 -9.325 -0.342 1.00 3.23 H new ATOM 0 HB2 LEU A 12 -8.368 -7.527 -0.529 1.00 10.24 H new ATOM 0 HB3 LEU A 12 -7.583 -6.617 0.746 1.00 10.24 H new ATOM 0 HG LEU A 12 -5.642 -6.249 -0.695 1.00 74.05 H new ATOM 0 HD11 LEU A 12 -5.727 -6.751 -3.069 1.00 42.23 H new ATOM 0 HD12 LEU A 12 -5.713 -8.219 -2.062 1.00 42.23 H new ATOM 0 HD13 LEU A 12 -7.229 -7.672 -2.816 1.00 42.23 H new ATOM 0 HD21 LEU A 12 -6.753 -4.702 -2.251 1.00 3.50 H new ATOM 0 HD22 LEU A 12 -8.309 -5.499 -1.915 1.00 3.50 H new ATOM 0 HD23 LEU A 12 -7.456 -4.629 -0.617 1.00 3.50 H new ATOM 158 N ARG A 13 -4.437 -8.838 0.074 1.00 5.35 N ATOM 159 CA ARG A 13 -3.056 -8.606 0.284 1.00 2.33 C ATOM 160 C ARG A 13 -2.557 -7.674 -0.791 1.00 1.23 C ATOM 161 O ARG A 13 -2.622 -7.976 -1.983 1.00 63.21 O ATOM 162 CB ARG A 13 -2.294 -9.925 0.270 1.00 4.21 C ATOM 163 CG ARG A 13 -0.818 -9.797 0.604 1.00 34.22 C ATOM 164 CD ARG A 13 -0.234 -11.147 0.953 1.00 70.53 C ATOM 165 NE ARG A 13 -0.324 -12.122 -0.144 1.00 51.52 N ATOM 166 CZ ARG A 13 -0.973 -13.304 -0.078 1.00 13.11 C ATOM 167 NH1 ARG A 13 -1.731 -13.613 0.984 1.00 62.12 N ATOM 168 NH2 ARG A 13 -0.882 -14.161 -1.086 1.00 34.34 N ATOM 0 H ARG A 13 -4.648 -9.408 -0.745 1.00 5.35 H new ATOM 0 HA ARG A 13 -2.895 -8.145 1.259 1.00 2.33 H new ATOM 0 HB2 ARG A 13 -2.758 -10.607 0.983 1.00 4.21 H new ATOM 0 HB3 ARG A 13 -2.393 -10.378 -0.716 1.00 4.21 H new ATOM 0 HG2 ARG A 13 -0.283 -9.371 -0.245 1.00 34.22 H new ATOM 0 HG3 ARG A 13 -0.687 -9.110 1.440 1.00 34.22 H new ATOM 0 HD2 ARG A 13 0.812 -11.021 1.233 1.00 70.53 H new ATOM 0 HD3 ARG A 13 -0.752 -11.544 1.826 1.00 70.53 H new ATOM 0 HE ARG A 13 0.139 -11.887 -1.022 1.00 51.52 H new ATOM 0 HH11 ARG A 13 -1.823 -12.951 1.755 1.00 62.12 H new ATOM 0 HH12 ARG A 13 -2.216 -14.510 1.021 1.00 62.12 H new ATOM 0 HH21 ARG A 13 -0.323 -13.926 -1.906 1.00 34.34 H new ATOM 0 HH22 ARG A 13 -1.370 -15.055 -1.041 1.00 34.34 H new ATOM 182 N LEU A 14 -2.056 -6.578 -0.356 1.00 3.02 N ATOM 183 CA LEU A 14 -1.553 -5.527 -1.206 1.00 1.22 C ATOM 184 C LEU A 14 -0.048 -5.630 -1.263 1.00 23.12 C ATOM 185 O LEU A 14 0.629 -5.583 -0.221 1.00 65.21 O ATOM 186 CB LEU A 14 -1.962 -4.116 -0.655 1.00 13.05 C ATOM 187 CG LEU A 14 -3.462 -3.773 -0.558 1.00 40.14 C ATOM 188 CD1 LEU A 14 -4.136 -3.802 -1.907 1.00 75.41 C ATOM 189 CD2 LEU A 14 -4.209 -4.639 0.444 1.00 4.12 C ATOM 0 H LEU A 14 -1.975 -6.365 0.638 1.00 3.02 H new ATOM 0 HA LEU A 14 -1.981 -5.640 -2.202 1.00 1.22 H new ATOM 0 HB2 LEU A 14 -1.533 -4.012 0.341 1.00 13.05 H new ATOM 0 HB3 LEU A 14 -1.490 -3.363 -1.286 1.00 13.05 H new ATOM 0 HG LEU A 14 -3.506 -2.751 -0.182 1.00 40.14 H new ATOM 0 HD11 LEU A 14 -5.191 -3.555 -1.792 1.00 75.41 H new ATOM 0 HD12 LEU A 14 -3.662 -3.074 -2.566 1.00 75.41 H new ATOM 0 HD13 LEU A 14 -4.042 -4.798 -2.339 1.00 75.41 H new ATOM 0 HD21 LEU A 14 -5.259 -4.348 0.465 1.00 4.12 H new ATOM 0 HD22 LEU A 14 -4.129 -5.686 0.151 1.00 4.12 H new ATOM 0 HD23 LEU A 14 -3.776 -4.505 1.435 1.00 4.12 H new ATOM 201 N ILE A 15 0.485 -5.806 -2.441 1.00 5.55 N ATOM 202 CA ILE A 15 1.902 -5.878 -2.577 1.00 73.50 C ATOM 203 C ILE A 15 2.402 -4.577 -3.154 1.00 61.41 C ATOM 204 O ILE A 15 1.964 -4.154 -4.230 1.00 13.14 O ATOM 205 CB ILE A 15 2.368 -7.050 -3.468 1.00 22.15 C ATOM 206 CG1 ILE A 15 1.731 -8.370 -2.998 1.00 73.04 C ATOM 207 CG2 ILE A 15 3.891 -7.145 -3.415 1.00 23.35 C ATOM 208 CD1 ILE A 15 2.215 -9.593 -3.751 1.00 5.02 C ATOM 0 H ILE A 15 -0.041 -5.901 -3.310 1.00 5.55 H new ATOM 0 HA ILE A 15 2.317 -6.055 -1.585 1.00 73.50 H new ATOM 0 HB ILE A 15 2.052 -6.870 -4.496 1.00 22.15 H new ATOM 0 HG12 ILE A 15 1.940 -8.504 -1.937 1.00 73.04 H new ATOM 0 HG13 ILE A 15 0.649 -8.296 -3.103 1.00 73.04 H new ATOM 0 HG21 ILE A 15 4.226 -7.971 -4.042 1.00 23.35 H new ATOM 0 HG22 ILE A 15 4.326 -6.214 -3.778 1.00 23.35 H new ATOM 0 HG23 ILE A 15 4.209 -7.318 -2.387 1.00 23.35 H new ATOM 0 HD11 ILE A 15 1.719 -10.481 -3.360 1.00 5.02 H new ATOM 0 HD12 ILE A 15 1.982 -9.484 -4.810 1.00 5.02 H new ATOM 0 HD13 ILE A 15 3.293 -9.695 -3.625 1.00 5.02 H new ATOM 220 N LEU A 16 3.292 -3.952 -2.443 1.00 33.51 N ATOM 221 CA LEU A 16 3.830 -2.673 -2.856 1.00 74.33 C ATOM 222 C LEU A 16 4.955 -2.862 -3.875 1.00 1.23 C ATOM 223 O LEU A 16 5.507 -3.966 -4.015 1.00 13.23 O ATOM 224 CB LEU A 16 4.352 -1.903 -1.635 1.00 70.23 C ATOM 225 CG LEU A 16 3.332 -1.618 -0.523 1.00 22.45 C ATOM 226 CD1 LEU A 16 3.998 -0.901 0.639 1.00 44.22 C ATOM 227 CD2 LEU A 16 2.163 -0.796 -1.054 1.00 23.20 C ATOM 0 H LEU A 16 3.670 -4.305 -1.564 1.00 33.51 H new ATOM 0 HA LEU A 16 3.031 -2.100 -3.326 1.00 74.33 H new ATOM 0 HB2 LEU A 16 5.180 -2.466 -1.204 1.00 70.23 H new ATOM 0 HB3 LEU A 16 4.758 -0.952 -1.979 1.00 70.23 H new ATOM 0 HG LEU A 16 2.944 -2.572 -0.167 1.00 22.45 H new ATOM 0 HD11 LEU A 16 3.260 -0.707 1.418 1.00 44.22 H new ATOM 0 HD12 LEU A 16 4.796 -1.525 1.042 1.00 44.22 H new ATOM 0 HD13 LEU A 16 4.416 0.044 0.292 1.00 44.22 H new ATOM 0 HD21 LEU A 16 1.455 -0.608 -0.247 1.00 23.20 H new ATOM 0 HD22 LEU A 16 2.532 0.153 -1.442 1.00 23.20 H new ATOM 0 HD23 LEU A 16 1.665 -1.345 -1.853 1.00 23.20 H new ATOM 239 N VAL A 17 5.318 -1.772 -4.559 1.00 43.42 N ATOM 240 CA VAL A 17 6.407 -1.776 -5.563 1.00 4.21 C ATOM 241 C VAL A 17 7.747 -2.069 -4.863 1.00 5.33 C ATOM 242 O VAL A 17 8.716 -2.546 -5.475 1.00 43.13 O ATOM 243 CB VAL A 17 6.501 -0.396 -6.295 1.00 23.15 C ATOM 244 CG1 VAL A 17 7.543 -0.416 -7.407 1.00 33.24 C ATOM 245 CG2 VAL A 17 5.151 0.024 -6.845 1.00 0.52 C ATOM 0 H VAL A 17 4.873 -0.862 -4.439 1.00 43.42 H new ATOM 0 HA VAL A 17 6.190 -2.548 -6.302 1.00 4.21 H new ATOM 0 HB VAL A 17 6.817 0.338 -5.554 1.00 23.15 H new ATOM 0 HG11 VAL A 17 7.578 0.560 -7.891 1.00 33.24 H new ATOM 0 HG12 VAL A 17 8.521 -0.647 -6.985 1.00 33.24 H new ATOM 0 HG13 VAL A 17 7.276 -1.176 -8.142 1.00 33.24 H new ATOM 0 HG21 VAL A 17 5.246 0.986 -7.348 1.00 0.52 H new ATOM 0 HG22 VAL A 17 4.799 -0.724 -7.556 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.436 0.112 -6.027 1.00 0.52 H new ATOM 255 N SER A 18 7.759 -1.825 -3.571 1.00 42.42 N ATOM 256 CA SER A 18 8.903 -2.016 -2.716 1.00 32.33 C ATOM 257 C SER A 18 9.128 -3.503 -2.404 1.00 23.15 C ATOM 258 O SER A 18 10.098 -3.865 -1.743 1.00 30.44 O ATOM 259 CB SER A 18 8.616 -1.275 -1.424 1.00 53.11 C ATOM 260 OG SER A 18 8.194 0.047 -1.698 1.00 41.24 O ATOM 0 H SER A 18 6.941 -1.476 -3.072 1.00 42.42 H new ATOM 0 HA SER A 18 9.800 -1.644 -3.211 1.00 32.33 H new ATOM 0 HB2 SER A 18 7.845 -1.800 -0.859 1.00 53.11 H new ATOM 0 HB3 SER A 18 9.510 -1.257 -0.801 1.00 53.11 H new ATOM 0 HG SER A 18 8.011 0.513 -0.856 1.00 41.24 H new ATOM 266 N GLY A 19 8.219 -4.357 -2.869 1.00 51.23 N ATOM 267 CA GLY A 19 8.325 -5.774 -2.598 1.00 51.14 C ATOM 268 C GLY A 19 7.795 -6.097 -1.228 1.00 31.30 C ATOM 269 O GLY A 19 7.898 -7.226 -0.752 1.00 12.21 O ATOM 0 H GLY A 19 7.410 -4.088 -3.430 1.00 51.23 H new ATOM 0 HA2 GLY A 19 7.769 -6.335 -3.349 1.00 51.14 H new ATOM 0 HA3 GLY A 19 9.367 -6.086 -2.673 1.00 51.14 H new ATOM 273 N LYS A 20 7.217 -5.098 -0.602 1.00 13.40 N ATOM 274 CA LYS A 20 6.673 -5.237 0.712 1.00 64.24 C ATOM 275 C LYS A 20 5.259 -5.707 0.587 1.00 21.30 C ATOM 276 O LYS A 20 4.482 -5.146 -0.196 1.00 13.23 O ATOM 277 CB LYS A 20 6.700 -3.892 1.455 1.00 43.41 C ATOM 278 CG LYS A 20 8.081 -3.257 1.600 1.00 51.12 C ATOM 279 CD LYS A 20 9.044 -4.196 2.276 1.00 15.55 C ATOM 280 CE LYS A 20 10.369 -3.528 2.575 1.00 14.42 C ATOM 281 NZ LYS A 20 11.291 -4.446 3.275 1.00 64.13 N ATOM 0 H LYS A 20 7.115 -4.164 -1.000 1.00 13.40 H new ATOM 0 HA LYS A 20 7.269 -5.953 1.278 1.00 64.24 H new ATOM 0 HB2 LYS A 20 6.049 -3.192 0.931 1.00 43.41 H new ATOM 0 HB3 LYS A 20 6.278 -4.036 2.449 1.00 43.41 H new ATOM 0 HG2 LYS A 20 8.464 -2.985 0.616 1.00 51.12 H new ATOM 0 HG3 LYS A 20 8.002 -2.336 2.177 1.00 51.12 H new ATOM 0 HD2 LYS A 20 8.604 -4.561 3.204 1.00 15.55 H new ATOM 0 HD3 LYS A 20 9.211 -5.065 1.639 1.00 15.55 H new ATOM 0 HE2 LYS A 20 10.826 -3.191 1.645 1.00 14.42 H new ATOM 0 HE3 LYS A 20 10.201 -2.642 3.187 1.00 14.42 H new ATOM 0 HZ1 LYS A 20 12.189 -3.958 3.465 1.00 64.13 H new ATOM 0 HZ2 LYS A 20 10.864 -4.748 4.174 1.00 64.13 H new ATOM 0 HZ3 LYS A 20 11.470 -5.280 2.679 1.00 64.13 H new ATOM 295 N THR A 21 4.915 -6.712 1.319 1.00 51.40 N ATOM 296 CA THR A 21 3.597 -7.228 1.250 1.00 23.52 C ATOM 297 C THR A 21 2.873 -6.939 2.542 1.00 34.21 C ATOM 298 O THR A 21 3.397 -7.215 3.635 1.00 72.40 O ATOM 299 CB THR A 21 3.602 -8.751 1.003 1.00 71.44 C ATOM 300 OG1 THR A 21 4.264 -9.432 2.090 1.00 15.14 O ATOM 301 CG2 THR A 21 4.312 -9.094 -0.298 1.00 31.13 C ATOM 0 H THR A 21 5.533 -7.192 1.973 1.00 51.40 H new ATOM 0 HA THR A 21 3.089 -6.745 0.416 1.00 23.52 H new ATOM 0 HB THR A 21 2.564 -9.077 0.938 1.00 71.44 H new ATOM 0 HG1 THR A 21 4.257 -8.861 2.886 1.00 15.14 H new ATOM 0 HG21 THR A 21 4.300 -10.174 -0.445 1.00 31.13 H new ATOM 0 HG22 THR A 21 3.802 -8.608 -1.130 1.00 31.13 H new ATOM 0 HG23 THR A 21 5.344 -8.746 -0.252 1.00 31.13 H new ATOM 309 N LYS A 22 1.706 -6.381 2.439 1.00 24.04 N ATOM 310 CA LYS A 22 0.900 -6.114 3.606 1.00 15.11 C ATOM 311 C LYS A 22 -0.498 -6.620 3.342 1.00 43.34 C ATOM 312 O LYS A 22 -1.015 -6.462 2.235 1.00 53.52 O ATOM 313 CB LYS A 22 0.907 -4.610 3.951 1.00 34.14 C ATOM 314 CG LYS A 22 2.309 -4.050 4.222 1.00 24.24 C ATOM 315 CD LYS A 22 2.279 -2.579 4.598 1.00 55.00 C ATOM 316 CE LYS A 22 3.688 -2.017 4.786 1.00 73.11 C ATOM 317 NZ LYS A 22 3.683 -0.572 5.150 1.00 34.15 N ATOM 0 H LYS A 22 1.282 -6.097 1.556 1.00 24.04 H new ATOM 0 HA LYS A 22 1.313 -6.632 4.472 1.00 15.11 H new ATOM 0 HB2 LYS A 22 0.456 -4.055 3.129 1.00 34.14 H new ATOM 0 HB3 LYS A 22 0.282 -4.444 4.829 1.00 34.14 H new ATOM 0 HG2 LYS A 22 2.776 -4.619 5.026 1.00 24.24 H new ATOM 0 HG3 LYS A 22 2.929 -4.184 3.335 1.00 24.24 H new ATOM 0 HD2 LYS A 22 1.762 -2.015 3.821 1.00 55.00 H new ATOM 0 HD3 LYS A 22 1.709 -2.450 5.518 1.00 55.00 H new ATOM 0 HE2 LYS A 22 4.200 -2.583 5.564 1.00 73.11 H new ATOM 0 HE3 LYS A 22 4.256 -2.154 3.866 1.00 73.11 H new ATOM 0 HZ1 LYS A 22 4.615 -0.306 5.527 1.00 34.15 H new ATOM 0 HZ2 LYS A 22 3.475 -0.002 4.305 1.00 34.15 H new ATOM 0 HZ3 LYS A 22 2.955 -0.399 5.872 1.00 34.15 H new ATOM 331 N GLU A 23 -1.111 -7.226 4.322 1.00 62.10 N ATOM 332 CA GLU A 23 -2.399 -7.822 4.098 1.00 34.34 C ATOM 333 C GLU A 23 -3.358 -7.376 5.175 1.00 11.51 C ATOM 334 O GLU A 23 -3.037 -7.444 6.367 1.00 33.30 O ATOM 335 CB GLU A 23 -2.253 -9.332 4.129 1.00 2.24 C ATOM 336 CG GLU A 23 -3.444 -10.081 3.604 1.00 1.12 C ATOM 337 CD GLU A 23 -3.296 -11.565 3.770 1.00 53.14 C ATOM 338 OE1 GLU A 23 -2.399 -12.167 3.139 1.00 32.45 O ATOM 339 OE2 GLU A 23 -4.076 -12.153 4.524 1.00 42.12 O ATOM 0 H GLU A 23 -0.746 -7.320 5.270 1.00 62.10 H new ATOM 0 HA GLU A 23 -2.788 -7.512 3.128 1.00 34.34 H new ATOM 0 HB2 GLU A 23 -1.376 -9.612 3.545 1.00 2.24 H new ATOM 0 HB3 GLU A 23 -2.065 -9.646 5.156 1.00 2.24 H new ATOM 0 HG2 GLU A 23 -4.341 -9.746 4.125 1.00 1.12 H new ATOM 0 HG3 GLU A 23 -3.583 -9.847 2.549 1.00 1.12 H new ATOM 346 N PHE A 24 -4.516 -6.934 4.770 1.00 2.54 N ATOM 347 CA PHE A 24 -5.530 -6.438 5.681 1.00 4.02 C ATOM 348 C PHE A 24 -6.902 -6.803 5.168 1.00 32.15 C ATOM 349 O PHE A 24 -7.067 -7.115 3.984 1.00 42.22 O ATOM 350 CB PHE A 24 -5.452 -4.910 5.854 1.00 22.10 C ATOM 351 CG PHE A 24 -4.194 -4.375 6.489 1.00 3.23 C ATOM 352 CD1 PHE A 24 -4.085 -4.281 7.865 1.00 45.43 C ATOM 353 CD2 PHE A 24 -3.126 -3.958 5.707 1.00 62.34 C ATOM 354 CE1 PHE A 24 -2.938 -3.784 8.450 1.00 11.14 C ATOM 355 CE2 PHE A 24 -1.977 -3.455 6.285 1.00 4.43 C ATOM 356 CZ PHE A 24 -1.881 -3.370 7.659 1.00 2.31 C ATOM 0 H PHE A 24 -4.793 -6.904 3.789 1.00 2.54 H new ATOM 0 HA PHE A 24 -5.350 -6.901 6.651 1.00 4.02 H new ATOM 0 HB2 PHE A 24 -5.564 -4.448 4.873 1.00 22.10 H new ATOM 0 HB3 PHE A 24 -6.302 -4.590 6.456 1.00 22.10 H new ATOM 0 HD1 PHE A 24 -4.907 -4.600 8.489 1.00 45.43 H new ATOM 0 HD2 PHE A 24 -3.194 -4.028 4.631 1.00 62.34 H new ATOM 0 HE1 PHE A 24 -2.865 -3.718 9.526 1.00 11.14 H new ATOM 0 HE2 PHE A 24 -1.156 -3.129 5.664 1.00 4.43 H new ATOM 0 HZ PHE A 24 -0.983 -2.981 8.116 1.00 2.31 H new ATOM 366 N LEU A 25 -7.867 -6.798 6.040 1.00 35.02 N ATOM 367 CA LEU A 25 -9.228 -7.014 5.638 1.00 33.25 C ATOM 368 C LEU A 25 -9.772 -5.696 5.138 1.00 51.04 C ATOM 369 O LEU A 25 -9.687 -4.687 5.845 1.00 13.11 O ATOM 370 CB LEU A 25 -10.072 -7.460 6.831 1.00 21.45 C ATOM 371 CG LEU A 25 -9.649 -8.736 7.543 1.00 35.20 C ATOM 372 CD1 LEU A 25 -10.555 -8.970 8.739 1.00 22.41 C ATOM 373 CD2 LEU A 25 -9.704 -9.924 6.597 1.00 63.23 C ATOM 0 H LEU A 25 -7.737 -6.646 7.040 1.00 35.02 H new ATOM 0 HA LEU A 25 -9.266 -7.785 4.868 1.00 33.25 H new ATOM 0 HB2 LEU A 25 -10.078 -6.651 7.562 1.00 21.45 H new ATOM 0 HB3 LEU A 25 -11.099 -7.588 6.489 1.00 21.45 H new ATOM 0 HG LEU A 25 -8.620 -8.626 7.885 1.00 35.20 H new ATOM 0 HD11 LEU A 25 -10.253 -9.884 9.251 1.00 22.41 H new ATOM 0 HD12 LEU A 25 -10.476 -8.127 9.426 1.00 22.41 H new ATOM 0 HD13 LEU A 25 -11.587 -9.067 8.401 1.00 22.41 H new ATOM 0 HD21 LEU A 25 -9.398 -10.826 7.127 1.00 63.23 H new ATOM 0 HD22 LEU A 25 -10.722 -10.048 6.228 1.00 63.23 H new ATOM 0 HD23 LEU A 25 -9.032 -9.751 5.756 1.00 63.23 H new ATOM 385 N PHE A 26 -10.300 -5.683 3.962 1.00 74.24 N ATOM 386 CA PHE A 26 -10.888 -4.482 3.418 1.00 41.31 C ATOM 387 C PHE A 26 -12.272 -4.770 2.956 1.00 51.43 C ATOM 388 O PHE A 26 -12.658 -5.935 2.819 1.00 2.01 O ATOM 389 CB PHE A 26 -10.047 -3.875 2.288 1.00 43.23 C ATOM 390 CG PHE A 26 -8.733 -3.290 2.737 1.00 22.31 C ATOM 391 CD1 PHE A 26 -8.685 -2.011 3.269 1.00 14.04 C ATOM 392 CD2 PHE A 26 -7.556 -4.006 2.627 1.00 52.40 C ATOM 393 CE1 PHE A 26 -7.490 -1.462 3.680 1.00 12.12 C ATOM 394 CE2 PHE A 26 -6.363 -3.460 3.034 1.00 42.02 C ATOM 395 CZ PHE A 26 -6.327 -2.186 3.564 1.00 1.04 C ATOM 0 H PHE A 26 -10.342 -6.494 3.344 1.00 74.24 H new ATOM 0 HA PHE A 26 -10.918 -3.736 4.212 1.00 41.31 H new ATOM 0 HB2 PHE A 26 -9.852 -4.646 1.542 1.00 43.23 H new ATOM 0 HB3 PHE A 26 -10.629 -3.096 1.796 1.00 43.23 H new ATOM 0 HD1 PHE A 26 -9.595 -1.438 3.363 1.00 14.04 H new ATOM 0 HD2 PHE A 26 -7.574 -5.005 2.217 1.00 52.40 H new ATOM 0 HE1 PHE A 26 -7.467 -0.464 4.093 1.00 12.12 H new ATOM 0 HE2 PHE A 26 -5.450 -4.029 2.939 1.00 42.02 H new ATOM 0 HZ PHE A 26 -5.389 -1.759 3.886 1.00 1.04 H new ATOM 405 N SER A 27 -13.041 -3.756 2.752 1.00 73.11 N ATOM 406 CA SER A 27 -14.359 -3.965 2.296 1.00 55.53 C ATOM 407 C SER A 27 -14.313 -4.075 0.787 1.00 13.35 C ATOM 408 O SER A 27 -13.465 -3.447 0.143 1.00 30.21 O ATOM 409 CB SER A 27 -15.289 -2.821 2.741 1.00 70.52 C ATOM 410 OG SER A 27 -14.943 -1.586 2.131 1.00 24.50 O ATOM 0 H SER A 27 -12.776 -2.781 2.895 1.00 73.11 H new ATOM 0 HA SER A 27 -14.763 -4.881 2.727 1.00 55.53 H new ATOM 0 HB2 SER A 27 -16.319 -3.073 2.490 1.00 70.52 H new ATOM 0 HB3 SER A 27 -15.241 -2.716 3.825 1.00 70.52 H new ATOM 0 HG SER A 27 -14.011 -1.367 2.341 1.00 24.50 H new ATOM 416 N PRO A 28 -15.190 -4.877 0.188 1.00 42.43 N ATOM 417 CA PRO A 28 -15.261 -5.030 -1.271 1.00 4.02 C ATOM 418 C PRO A 28 -15.621 -3.698 -1.969 1.00 42.32 C ATOM 419 O PRO A 28 -15.506 -3.571 -3.197 1.00 23.11 O ATOM 420 CB PRO A 28 -16.372 -6.082 -1.444 1.00 4.54 C ATOM 421 CG PRO A 28 -17.187 -5.919 -0.222 1.00 72.51 C ATOM 422 CD PRO A 28 -16.182 -5.732 0.859 1.00 51.21 C ATOM 0 HA PRO A 28 -14.313 -5.325 -1.721 1.00 4.02 H new ATOM 0 HB2 PRO A 28 -16.958 -5.904 -2.345 1.00 4.54 H new ATOM 0 HB3 PRO A 28 -15.963 -7.089 -1.524 1.00 4.54 H new ATOM 0 HG2 PRO A 28 -17.855 -5.061 -0.299 1.00 72.51 H new ATOM 0 HG3 PRO A 28 -17.812 -6.793 -0.039 1.00 72.51 H new ATOM 0 HD2 PRO A 28 -16.610 -5.252 1.739 1.00 51.21 H new ATOM 0 HD3 PRO A 28 -15.753 -6.678 1.189 1.00 51.21 H new ATOM 430 N ASN A 29 -16.035 -2.717 -1.153 1.00 0.12 N ATOM 431 CA ASN A 29 -16.419 -1.387 -1.613 1.00 41.34 C ATOM 432 C ASN A 29 -15.195 -0.457 -1.716 1.00 14.20 C ATOM 433 O ASN A 29 -15.256 0.596 -2.355 1.00 14.42 O ATOM 434 CB ASN A 29 -17.483 -0.791 -0.662 1.00 42.23 C ATOM 435 CG ASN A 29 -17.982 0.591 -1.076 1.00 10.21 C ATOM 436 OD1 ASN A 29 -18.921 0.705 -1.873 1.00 45.43 O ATOM 437 ND2 ASN A 29 -17.407 1.636 -0.515 1.00 71.22 N ATOM 0 H ASN A 29 -16.111 -2.833 -0.143 1.00 0.12 H new ATOM 0 HA ASN A 29 -16.847 -1.476 -2.612 1.00 41.34 H new ATOM 0 HB2 ASN A 29 -18.332 -1.472 -0.611 1.00 42.23 H new ATOM 0 HB3 ASN A 29 -17.064 -0.729 0.342 1.00 42.23 H new ATOM 0 HD21 ASN A 29 -17.734 2.577 -0.734 1.00 71.22 H new ATOM 0 HD22 ASN A 29 -16.635 1.504 0.138 1.00 71.22 H new ATOM 444 N ASP A 30 -14.087 -0.846 -1.094 1.00 61.43 N ATOM 445 CA ASP A 30 -12.855 -0.047 -1.183 1.00 35.35 C ATOM 446 C ASP A 30 -12.234 -0.146 -2.564 1.00 12.44 C ATOM 447 O ASP A 30 -12.448 -1.116 -3.290 1.00 43.24 O ATOM 448 CB ASP A 30 -11.798 -0.409 -0.104 1.00 40.42 C ATOM 449 CG ASP A 30 -12.086 0.129 1.286 1.00 43.11 C ATOM 450 OD1 ASP A 30 -11.795 1.330 1.542 1.00 42.51 O ATOM 451 OD2 ASP A 30 -12.588 -0.623 2.142 1.00 35.32 O ATOM 0 H ASP A 30 -14.009 -1.693 -0.531 1.00 61.43 H new ATOM 0 HA ASP A 30 -13.163 0.981 -0.994 1.00 35.35 H new ATOM 0 HB2 ASP A 30 -11.717 -1.494 -0.047 1.00 40.42 H new ATOM 0 HB3 ASP A 30 -10.827 -0.033 -0.428 1.00 40.42 H new ATOM 456 N SER A 31 -11.500 0.864 -2.937 1.00 3.01 N ATOM 457 CA SER A 31 -10.809 0.875 -4.199 1.00 43.31 C ATOM 458 C SER A 31 -9.372 0.423 -3.954 1.00 33.21 C ATOM 459 O SER A 31 -8.715 0.952 -3.072 1.00 35.03 O ATOM 460 CB SER A 31 -10.832 2.290 -4.771 1.00 10.33 C ATOM 461 OG SER A 31 -12.165 2.780 -4.833 1.00 71.30 O ATOM 0 H SER A 31 -11.363 1.704 -2.376 1.00 3.01 H new ATOM 0 HA SER A 31 -11.289 0.205 -4.912 1.00 43.31 H new ATOM 0 HB2 SER A 31 -10.224 2.949 -4.151 1.00 10.33 H new ATOM 0 HB3 SER A 31 -10.390 2.293 -5.768 1.00 10.33 H new ATOM 0 HG SER A 31 -12.163 3.689 -5.200 1.00 71.30 H new ATOM 467 N ALA A 32 -8.897 -0.542 -4.728 1.00 42.33 N ATOM 468 CA ALA A 32 -7.546 -1.135 -4.552 1.00 64.35 C ATOM 469 C ALA A 32 -6.416 -0.087 -4.471 1.00 62.44 C ATOM 470 O ALA A 32 -5.482 -0.238 -3.698 1.00 21.35 O ATOM 471 CB ALA A 32 -7.270 -2.080 -5.683 1.00 74.02 C ATOM 0 H ALA A 32 -9.425 -0.948 -5.501 1.00 42.33 H new ATOM 0 HA ALA A 32 -7.554 -1.657 -3.595 1.00 64.35 H new ATOM 0 HB1 ALA A 32 -6.280 -2.518 -5.558 1.00 74.02 H new ATOM 0 HB2 ALA A 32 -8.019 -2.872 -5.686 1.00 74.02 H new ATOM 0 HB3 ALA A 32 -7.311 -1.538 -6.628 1.00 74.02 H new ATOM 477 N SER A 33 -6.515 0.962 -5.257 1.00 43.42 N ATOM 478 CA SER A 33 -5.501 2.002 -5.285 1.00 24.13 C ATOM 479 C SER A 33 -5.618 2.953 -4.077 1.00 44.30 C ATOM 480 O SER A 33 -4.622 3.518 -3.609 1.00 35.40 O ATOM 481 CB SER A 33 -5.604 2.728 -6.596 1.00 53.22 C ATOM 482 OG SER A 33 -6.958 3.065 -6.850 1.00 13.41 O ATOM 0 H SER A 33 -7.296 1.121 -5.894 1.00 43.42 H new ATOM 0 HA SER A 33 -4.512 1.551 -5.203 1.00 24.13 H new ATOM 0 HB2 SER A 33 -4.993 3.630 -6.572 1.00 53.22 H new ATOM 0 HB3 SER A 33 -5.218 2.102 -7.401 1.00 53.22 H new ATOM 0 HG SER A 33 -7.053 3.358 -7.780 1.00 13.41 H new ATOM 488 N ASP A 34 -6.830 3.105 -3.577 1.00 55.13 N ATOM 489 CA ASP A 34 -7.098 3.876 -2.355 1.00 15.12 C ATOM 490 C ASP A 34 -6.484 3.106 -1.205 1.00 32.13 C ATOM 491 O ASP A 34 -5.828 3.659 -0.314 1.00 13.23 O ATOM 492 CB ASP A 34 -8.621 3.986 -2.166 1.00 63.32 C ATOM 493 CG ASP A 34 -9.058 4.759 -0.939 1.00 32.40 C ATOM 494 OD1 ASP A 34 -9.133 4.170 0.167 1.00 4.45 O ATOM 495 OD2 ASP A 34 -9.400 5.948 -1.073 1.00 4.31 O ATOM 0 H ASP A 34 -7.665 2.700 -4.000 1.00 55.13 H new ATOM 0 HA ASP A 34 -6.678 4.881 -2.408 1.00 15.12 H new ATOM 0 HB2 ASP A 34 -9.048 4.462 -3.048 1.00 63.32 H new ATOM 0 HB3 ASP A 34 -9.039 2.981 -2.112 1.00 63.32 H new ATOM 500 N ILE A 35 -6.673 1.805 -1.278 1.00 51.31 N ATOM 501 CA ILE A 35 -6.121 0.874 -0.343 1.00 72.15 C ATOM 502 C ILE A 35 -4.598 0.886 -0.416 1.00 4.54 C ATOM 503 O ILE A 35 -3.951 0.844 0.595 1.00 12.45 O ATOM 504 CB ILE A 35 -6.632 -0.544 -0.617 1.00 32.14 C ATOM 505 CG1 ILE A 35 -8.139 -0.618 -0.454 1.00 74.53 C ATOM 506 CG2 ILE A 35 -5.962 -1.527 0.290 1.00 61.15 C ATOM 507 CD1 ILE A 35 -8.693 -1.985 -0.738 1.00 72.12 C ATOM 0 H ILE A 35 -7.230 1.365 -2.011 1.00 51.31 H new ATOM 0 HA ILE A 35 -6.438 1.176 0.655 1.00 72.15 H new ATOM 0 HB ILE A 35 -6.388 -0.798 -1.648 1.00 32.14 H new ATOM 0 HG12 ILE A 35 -8.404 -0.329 0.563 1.00 74.53 H new ATOM 0 HG13 ILE A 35 -8.607 0.104 -1.123 1.00 74.53 H new ATOM 0 HG21 ILE A 35 -6.337 -2.529 0.081 1.00 61.15 H new ATOM 0 HG22 ILE A 35 -4.885 -1.501 0.123 1.00 61.15 H new ATOM 0 HG23 ILE A 35 -6.175 -1.269 1.327 1.00 61.15 H new ATOM 0 HD11 ILE A 35 -9.775 -1.974 -0.605 1.00 72.12 H new ATOM 0 HD12 ILE A 35 -8.457 -2.267 -1.764 1.00 72.12 H new ATOM 0 HD13 ILE A 35 -8.250 -2.707 -0.052 1.00 72.12 H new ATOM 519 N ALA A 36 -4.047 0.924 -1.629 1.00 10.34 N ATOM 520 CA ALA A 36 -2.605 1.026 -1.850 1.00 74.41 C ATOM 521 C ALA A 36 -1.984 2.160 -1.036 1.00 60.35 C ATOM 522 O ALA A 36 -0.920 1.990 -0.466 1.00 43.10 O ATOM 523 CB ALA A 36 -2.309 1.235 -3.326 1.00 43.52 C ATOM 0 H ALA A 36 -4.592 0.885 -2.491 1.00 10.34 H new ATOM 0 HA ALA A 36 -2.160 0.088 -1.517 1.00 74.41 H new ATOM 0 HB1 ALA A 36 -1.232 1.309 -3.474 1.00 43.52 H new ATOM 0 HB2 ALA A 36 -2.697 0.392 -3.898 1.00 43.52 H new ATOM 0 HB3 ALA A 36 -2.786 2.154 -3.666 1.00 43.52 H new ATOM 529 N LYS A 37 -2.672 3.291 -0.951 1.00 54.54 N ATOM 530 CA LYS A 37 -2.185 4.413 -0.183 1.00 34.40 C ATOM 531 C LYS A 37 -2.309 4.127 1.309 1.00 33.12 C ATOM 532 O LYS A 37 -1.501 4.569 2.112 1.00 63.44 O ATOM 533 CB LYS A 37 -2.930 5.700 -0.569 1.00 55.15 C ATOM 534 CG LYS A 37 -2.639 6.203 -1.981 1.00 3.30 C ATOM 535 CD LYS A 37 -3.313 7.548 -2.239 1.00 74.55 C ATOM 536 CE LYS A 37 -3.002 8.081 -3.631 1.00 52.21 C ATOM 537 NZ LYS A 37 -3.593 9.424 -3.851 1.00 43.31 N ATOM 0 H LYS A 37 -3.570 3.449 -1.408 1.00 54.54 H new ATOM 0 HA LYS A 37 -1.130 4.561 -0.412 1.00 34.40 H new ATOM 0 HB2 LYS A 37 -4.002 5.527 -0.473 1.00 55.15 H new ATOM 0 HB3 LYS A 37 -2.669 6.483 0.143 1.00 55.15 H new ATOM 0 HG2 LYS A 37 -1.562 6.300 -2.120 1.00 3.30 H new ATOM 0 HG3 LYS A 37 -2.990 5.472 -2.710 1.00 3.30 H new ATOM 0 HD2 LYS A 37 -4.392 7.442 -2.124 1.00 74.55 H new ATOM 0 HD3 LYS A 37 -2.982 8.269 -1.492 1.00 74.55 H new ATOM 0 HE2 LYS A 37 -1.922 8.132 -3.768 1.00 52.21 H new ATOM 0 HE3 LYS A 37 -3.385 7.388 -4.380 1.00 52.21 H new ATOM 0 HZ1 LYS A 37 -3.125 9.881 -4.659 1.00 43.31 H new ATOM 0 HZ2 LYS A 37 -4.609 9.328 -4.049 1.00 43.31 H new ATOM 0 HZ3 LYS A 37 -3.460 10.006 -2.999 1.00 43.31 H new ATOM 551 N HIS A 38 -3.316 3.353 1.649 1.00 41.51 N ATOM 552 CA HIS A 38 -3.596 2.976 3.026 1.00 3.11 C ATOM 553 C HIS A 38 -2.569 1.927 3.506 1.00 34.11 C ATOM 554 O HIS A 38 -1.989 2.045 4.565 1.00 52.33 O ATOM 555 CB HIS A 38 -5.044 2.426 3.114 1.00 34.40 C ATOM 556 CG HIS A 38 -5.551 2.127 4.500 1.00 20.52 C ATOM 557 ND1 HIS A 38 -6.362 2.987 5.196 1.00 1.13 N ATOM 558 CD2 HIS A 38 -5.389 1.047 5.298 1.00 4.01 C ATOM 559 CE1 HIS A 38 -6.672 2.465 6.357 1.00 10.33 C ATOM 560 NE2 HIS A 38 -6.100 1.284 6.450 1.00 65.55 N ATOM 0 H HIS A 38 -3.973 2.961 0.974 1.00 41.51 H new ATOM 0 HA HIS A 38 -3.511 3.846 3.677 1.00 3.11 H new ATOM 0 HB2 HIS A 38 -5.715 3.149 2.651 1.00 34.40 H new ATOM 0 HB3 HIS A 38 -5.102 1.513 2.522 1.00 34.40 H new ATOM 0 HD2 HIS A 38 -4.810 0.164 5.072 1.00 4.01 H new ATOM 0 HE1 HIS A 38 -7.293 2.927 7.111 1.00 10.33 H new ATOM 0 HE2 HIS A 38 -6.172 0.649 7.245 1.00 65.55 H new ATOM 569 N VAL A 39 -2.350 0.918 2.708 1.00 30.52 N ATOM 570 CA VAL A 39 -1.418 -0.130 3.053 1.00 34.41 C ATOM 571 C VAL A 39 0.007 0.343 2.987 1.00 72.24 C ATOM 572 O VAL A 39 0.843 -0.132 3.756 1.00 43.42 O ATOM 573 CB VAL A 39 -1.607 -1.390 2.217 1.00 44.42 C ATOM 574 CG1 VAL A 39 -2.967 -1.978 2.508 1.00 61.25 C ATOM 575 CG2 VAL A 39 -1.477 -1.076 0.754 1.00 54.24 C ATOM 0 H VAL A 39 -2.808 0.796 1.805 1.00 30.52 H new ATOM 0 HA VAL A 39 -1.640 -0.395 4.087 1.00 34.41 H new ATOM 0 HB VAL A 39 -0.835 -2.114 2.478 1.00 44.42 H new ATOM 0 HG11 VAL A 39 -3.108 -2.880 1.913 1.00 61.25 H new ATOM 0 HG12 VAL A 39 -3.037 -2.227 3.567 1.00 61.25 H new ATOM 0 HG13 VAL A 39 -3.739 -1.252 2.255 1.00 61.25 H new ATOM 0 HG21 VAL A 39 -1.615 -1.988 0.173 1.00 54.24 H new ATOM 0 HG22 VAL A 39 -2.235 -0.346 0.470 1.00 54.24 H new ATOM 0 HG23 VAL A 39 -0.487 -0.666 0.556 1.00 54.24 H new ATOM 585 N TYR A 40 0.291 1.287 2.063 1.00 14.33 N ATOM 586 CA TYR A 40 1.632 1.859 1.930 1.00 42.34 C ATOM 587 C TYR A 40 2.110 2.292 3.305 1.00 15.31 C ATOM 588 O TYR A 40 3.205 1.886 3.739 1.00 14.14 O ATOM 589 CB TYR A 40 1.631 3.049 0.955 1.00 22.03 C ATOM 590 CG TYR A 40 3.007 3.615 0.668 1.00 4.33 C ATOM 591 CD1 TYR A 40 3.792 3.091 -0.354 1.00 54.33 C ATOM 592 CD2 TYR A 40 3.523 4.665 1.412 1.00 42.54 C ATOM 593 CE1 TYR A 40 5.047 3.598 -0.619 1.00 53.55 C ATOM 594 CE2 TYR A 40 4.774 5.174 1.150 1.00 63.33 C ATOM 595 CZ TYR A 40 5.531 4.641 0.138 1.00 73.22 C ATOM 596 OH TYR A 40 6.784 5.151 -0.122 1.00 63.12 O ATOM 0 H TYR A 40 -0.393 1.662 1.405 1.00 14.33 H new ATOM 0 HA TYR A 40 2.309 1.108 1.522 1.00 42.34 H new ATOM 0 HB2 TYR A 40 1.176 2.735 0.016 1.00 22.03 H new ATOM 0 HB3 TYR A 40 1.003 3.840 1.365 1.00 22.03 H new ATOM 0 HD1 TYR A 40 3.413 2.274 -0.950 1.00 54.33 H new ATOM 0 HD2 TYR A 40 2.933 5.090 2.210 1.00 42.54 H new ATOM 0 HE1 TYR A 40 5.646 3.180 -1.415 1.00 53.55 H new ATOM 0 HE2 TYR A 40 5.159 5.992 1.740 1.00 63.33 H new ATOM 0 HH TYR A 40 6.990 5.044 -1.074 1.00 63.12 H new ATOM 606 N ASP A 41 1.254 3.045 4.009 1.00 2.02 N ATOM 607 CA ASP A 41 1.492 3.398 5.400 1.00 40.10 C ATOM 608 C ASP A 41 0.319 4.205 5.952 1.00 72.24 C ATOM 609 O ASP A 41 0.126 5.361 5.594 1.00 23.23 O ATOM 610 CB ASP A 41 2.800 4.170 5.604 1.00 60.00 C ATOM 611 CG ASP A 41 3.219 4.183 7.059 1.00 71.30 C ATOM 612 OD1 ASP A 41 2.753 5.036 7.835 1.00 2.44 O ATOM 613 OD2 ASP A 41 4.041 3.319 7.442 1.00 54.13 O ATOM 0 H ASP A 41 0.386 3.420 3.627 1.00 2.02 H new ATOM 0 HA ASP A 41 1.585 2.460 5.948 1.00 40.10 H new ATOM 0 HB2 ASP A 41 3.588 3.717 5.002 1.00 60.00 H new ATOM 0 HB3 ASP A 41 2.678 5.194 5.251 1.00 60.00 H new ATOM 618 N ASN A 42 -0.475 3.557 6.785 1.00 45.10 N ATOM 619 CA ASN A 42 -1.625 4.171 7.474 1.00 11.22 C ATOM 620 C ASN A 42 -2.763 4.632 6.560 1.00 31.54 C ATOM 621 O ASN A 42 -3.439 3.814 5.968 1.00 3.20 O ATOM 622 CB ASN A 42 -1.226 5.237 8.509 1.00 63.54 C ATOM 623 CG ASN A 42 -0.532 4.647 9.703 1.00 33.42 C ATOM 624 OD1 ASN A 42 -1.182 4.282 10.683 1.00 50.32 O ATOM 625 ND2 ASN A 42 0.773 4.540 9.655 1.00 62.22 N ATOM 0 H ASN A 42 -0.347 2.571 7.014 1.00 45.10 H new ATOM 0 HA ASN A 42 -2.050 3.340 8.037 1.00 11.22 H new ATOM 0 HB2 ASN A 42 -0.571 5.970 8.037 1.00 63.54 H new ATOM 0 HB3 ASN A 42 -2.117 5.771 8.838 1.00 63.54 H new ATOM 0 HD21 ASN A 42 1.282 4.144 10.446 1.00 62.22 H new ATOM 0 HD22 ASN A 42 1.280 4.852 8.827 1.00 62.22 H new ATOM 632 N TRP A 43 -3.034 5.913 6.516 1.00 14.41 N ATOM 633 CA TRP A 43 -4.028 6.434 5.603 1.00 53.22 C ATOM 634 C TRP A 43 -3.339 7.342 4.606 1.00 31.24 C ATOM 635 O TRP A 43 -2.334 7.968 4.978 1.00 25.05 O ATOM 636 CB TRP A 43 -5.170 7.197 6.354 1.00 5.52 C ATOM 637 CG TRP A 43 -4.760 8.505 7.015 1.00 73.20 C ATOM 638 CD1 TRP A 43 -4.950 9.768 6.514 1.00 22.01 C ATOM 639 CD2 TRP A 43 -4.106 8.675 8.278 1.00 23.13 C ATOM 640 NE1 TRP A 43 -4.448 10.704 7.382 1.00 41.22 N ATOM 641 CE2 TRP A 43 -3.924 10.061 8.470 1.00 2.33 C ATOM 642 CE3 TRP A 43 -3.653 7.797 9.261 1.00 24.33 C ATOM 643 CZ2 TRP A 43 -3.309 10.578 9.604 1.00 32.55 C ATOM 644 CZ3 TRP A 43 -3.045 8.314 10.383 1.00 64.33 C ATOM 645 CH2 TRP A 43 -2.878 9.691 10.545 1.00 52.01 C ATOM 0 H TRP A 43 -2.582 6.616 7.100 1.00 14.41 H new ATOM 0 HA TRP A 43 -4.501 5.600 5.084 1.00 53.22 H new ATOM 0 HB2 TRP A 43 -5.972 7.404 5.645 1.00 5.52 H new ATOM 0 HB3 TRP A 43 -5.582 6.538 7.118 1.00 5.52 H new ATOM 0 HD1 TRP A 43 -5.427 9.993 5.571 1.00 22.01 H new ATOM 0 HE1 TRP A 43 -4.463 11.714 7.240 1.00 41.22 H new ATOM 0 HE3 TRP A 43 -3.777 6.730 9.145 1.00 24.33 H new ATOM 0 HZ2 TRP A 43 -3.178 11.642 9.735 1.00 32.55 H new ATOM 0 HZ3 TRP A 43 -2.691 7.643 11.151 1.00 64.33 H new ATOM 0 HH2 TRP A 43 -2.396 10.062 11.437 1.00 52.01 H new ATOM 656 N PRO A 44 -3.790 7.394 3.319 1.00 61.14 N ATOM 657 CA PRO A 44 -3.343 8.421 2.386 1.00 74.02 C ATOM 658 C PRO A 44 -3.360 9.790 3.073 1.00 62.05 C ATOM 659 O PRO A 44 -4.435 10.314 3.411 1.00 33.51 O ATOM 660 CB PRO A 44 -4.399 8.388 1.262 1.00 1.45 C ATOM 661 CG PRO A 44 -5.304 7.221 1.562 1.00 31.52 C ATOM 662 CD PRO A 44 -4.659 6.418 2.652 1.00 21.44 C ATOM 0 HA PRO A 44 -2.330 8.251 2.022 1.00 74.02 H new ATOM 0 HB2 PRO A 44 -4.964 9.320 1.232 1.00 1.45 H new ATOM 0 HB3 PRO A 44 -3.925 8.271 0.287 1.00 1.45 H new ATOM 0 HG2 PRO A 44 -6.288 7.570 1.874 1.00 31.52 H new ATOM 0 HG3 PRO A 44 -5.450 6.610 0.671 1.00 31.52 H new ATOM 0 HD2 PRO A 44 -5.398 6.003 3.337 1.00 21.44 H new ATOM 0 HD3 PRO A 44 -4.089 5.580 2.251 1.00 21.44 H new ATOM 670 N MET A 45 -2.171 10.332 3.305 1.00 54.41 N ATOM 671 CA MET A 45 -1.984 11.564 4.063 1.00 41.03 C ATOM 672 C MET A 45 -2.859 12.712 3.559 1.00 35.25 C ATOM 673 O MET A 45 -3.069 12.875 2.348 1.00 72.23 O ATOM 674 CB MET A 45 -0.506 11.969 4.079 1.00 65.22 C ATOM 675 CG MET A 45 -0.210 13.211 4.906 1.00 15.32 C ATOM 676 SD MET A 45 1.533 13.641 4.928 1.00 44.40 S ATOM 677 CE MET A 45 1.480 15.104 5.950 1.00 61.23 C ATOM 0 H MET A 45 -1.299 9.924 2.968 1.00 54.41 H new ATOM 0 HA MET A 45 -2.305 11.357 5.084 1.00 41.03 H new ATOM 0 HB2 MET A 45 0.083 11.138 4.468 1.00 65.22 H new ATOM 0 HB3 MET A 45 -0.177 12.141 3.054 1.00 65.22 H new ATOM 0 HG2 MET A 45 -0.780 14.050 4.508 1.00 15.32 H new ATOM 0 HG3 MET A 45 -0.552 13.050 5.928 1.00 15.32 H new ATOM 0 HE1 MET A 45 2.316 15.755 5.697 1.00 61.23 H new ATOM 0 HE2 MET A 45 0.543 15.634 5.779 1.00 61.23 H new ATOM 0 HE3 MET A 45 1.548 14.817 6.999 1.00 61.23 H new ATOM 687 N ASP A 46 -3.390 13.472 4.518 1.00 62.34 N ATOM 688 CA ASP A 46 -4.254 14.620 4.263 1.00 2.31 C ATOM 689 C ASP A 46 -3.594 15.602 3.329 1.00 74.43 C ATOM 690 O ASP A 46 -4.146 15.928 2.283 1.00 34.30 O ATOM 691 CB ASP A 46 -4.622 15.309 5.572 1.00 1.32 C ATOM 692 CG ASP A 46 -5.392 14.417 6.513 1.00 11.14 C ATOM 693 OD1 ASP A 46 -4.770 13.571 7.200 1.00 42.35 O ATOM 694 OD2 ASP A 46 -6.632 14.563 6.604 1.00 13.15 O ATOM 0 H ASP A 46 -3.227 13.302 5.510 1.00 62.34 H new ATOM 0 HA ASP A 46 -5.163 14.255 3.786 1.00 2.31 H new ATOM 0 HB2 ASP A 46 -3.711 15.648 6.066 1.00 1.32 H new ATOM 0 HB3 ASP A 46 -5.216 16.197 5.354 1.00 1.32 H new ATOM 699 N TRP A 47 -2.420 16.083 3.693 1.00 24.22 N ATOM 700 CA TRP A 47 -1.683 16.948 2.799 1.00 5.41 C ATOM 701 C TRP A 47 -0.983 16.086 1.766 1.00 22.44 C ATOM 702 O TRP A 47 0.051 15.485 2.048 1.00 62.32 O ATOM 703 CB TRP A 47 -0.651 17.816 3.534 1.00 5.45 C ATOM 704 CG TRP A 47 -1.213 18.709 4.594 1.00 52.03 C ATOM 705 CD1 TRP A 47 -2.320 19.504 4.506 1.00 71.23 C ATOM 706 CD2 TRP A 47 -0.658 18.939 5.893 1.00 51.31 C ATOM 707 NE1 TRP A 47 -2.501 20.184 5.682 1.00 61.21 N ATOM 708 CE2 TRP A 47 -1.490 19.859 6.547 1.00 54.45 C ATOM 709 CE3 TRP A 47 0.461 18.444 6.569 1.00 55.00 C ATOM 710 CZ2 TRP A 47 -1.239 20.295 7.844 1.00 42.23 C ATOM 711 CZ3 TRP A 47 0.708 18.879 7.853 1.00 42.12 C ATOM 712 CH2 TRP A 47 -0.137 19.794 8.479 1.00 1.21 C ATOM 0 H TRP A 47 -1.965 15.893 4.586 1.00 24.22 H new ATOM 0 HA TRP A 47 -2.390 17.630 2.327 1.00 5.41 H new ATOM 0 HB2 TRP A 47 0.093 17.162 3.989 1.00 5.45 H new ATOM 0 HB3 TRP A 47 -0.129 18.432 2.801 1.00 5.45 H new ATOM 0 HD1 TRP A 47 -2.958 19.585 3.638 1.00 71.23 H new ATOM 0 HE1 TRP A 47 -3.266 20.829 5.881 1.00 61.21 H new ATOM 0 HE3 TRP A 47 1.120 17.733 6.093 1.00 55.00 H new ATOM 0 HZ2 TRP A 47 -1.892 21.004 8.332 1.00 42.23 H new ATOM 0 HZ3 TRP A 47 1.571 18.505 8.383 1.00 42.12 H new ATOM 0 HH2 TRP A 47 0.084 20.114 9.487 1.00 1.21 H new ATOM 723 N GLU A 48 -1.566 15.989 0.606 1.00 34.33 N ATOM 724 CA GLU A 48 -1.031 15.176 -0.453 1.00 21.10 C ATOM 725 C GLU A 48 -0.725 16.023 -1.671 1.00 72.00 C ATOM 726 O GLU A 48 -1.638 16.462 -2.381 1.00 52.10 O ATOM 727 CB GLU A 48 -2.009 14.048 -0.811 1.00 25.35 C ATOM 728 CG GLU A 48 -1.560 13.168 -1.969 1.00 73.25 C ATOM 729 CD GLU A 48 -2.562 12.098 -2.305 1.00 23.53 C ATOM 730 OE1 GLU A 48 -3.626 12.419 -2.879 1.00 34.53 O ATOM 731 OE2 GLU A 48 -2.302 10.913 -2.030 1.00 15.11 O ATOM 0 H GLU A 48 -2.431 16.473 0.365 1.00 34.33 H new ATOM 0 HA GLU A 48 -0.101 14.727 -0.106 1.00 21.10 H new ATOM 0 HB2 GLU A 48 -2.159 13.421 0.068 1.00 25.35 H new ATOM 0 HB3 GLU A 48 -2.976 14.487 -1.058 1.00 25.35 H new ATOM 0 HG2 GLU A 48 -1.389 13.790 -2.848 1.00 73.25 H new ATOM 0 HG3 GLU A 48 -0.607 12.702 -1.718 1.00 73.25 H new ATOM 738 N GLU A 49 0.537 16.286 -1.877 1.00 32.44 N ATOM 739 CA GLU A 49 1.000 17.034 -3.010 1.00 53.32 C ATOM 740 C GLU A 49 2.482 16.751 -3.183 1.00 14.02 C ATOM 741 O GLU A 49 3.316 17.224 -2.410 1.00 43.42 O ATOM 742 CB GLU A 49 0.698 18.556 -2.821 1.00 41.02 C ATOM 743 CG GLU A 49 0.993 19.490 -4.015 1.00 54.55 C ATOM 744 CD GLU A 49 2.461 19.651 -4.321 1.00 55.42 C ATOM 745 OE1 GLU A 49 3.154 20.385 -3.578 1.00 74.22 O ATOM 746 OE2 GLU A 49 2.952 19.059 -5.303 1.00 15.35 O ATOM 0 H GLU A 49 1.283 15.981 -1.251 1.00 32.44 H new ATOM 0 HA GLU A 49 0.477 16.731 -3.917 1.00 53.32 H new ATOM 0 HB2 GLU A 49 -0.356 18.661 -2.563 1.00 41.02 H new ATOM 0 HB3 GLU A 49 1.273 18.910 -1.965 1.00 41.02 H new ATOM 0 HG2 GLU A 49 0.489 19.102 -4.900 1.00 54.55 H new ATOM 0 HG3 GLU A 49 0.566 20.471 -3.809 1.00 54.55 H new ATOM 753 N GLU A 50 2.784 15.935 -4.136 1.00 11.22 N ATOM 754 CA GLU A 50 4.136 15.621 -4.488 1.00 74.12 C ATOM 755 C GLU A 50 4.157 15.680 -6.005 1.00 71.13 C ATOM 756 O GLU A 50 3.592 14.799 -6.664 1.00 41.32 O ATOM 757 CB GLU A 50 4.487 14.205 -3.950 1.00 43.04 C ATOM 758 CG GLU A 50 5.982 13.833 -3.880 1.00 2.42 C ATOM 759 CD GLU A 50 6.699 13.770 -5.207 1.00 33.31 C ATOM 760 OE1 GLU A 50 7.229 14.798 -5.646 1.00 72.14 O ATOM 761 OE2 GLU A 50 6.780 12.666 -5.811 1.00 63.31 O ATOM 0 H GLU A 50 2.087 15.456 -4.706 1.00 11.22 H new ATOM 0 HA GLU A 50 4.872 16.303 -4.062 1.00 74.12 H new ATOM 0 HB2 GLU A 50 4.067 14.109 -2.949 1.00 43.04 H new ATOM 0 HB3 GLU A 50 3.984 13.470 -4.578 1.00 43.04 H new ATOM 0 HG2 GLU A 50 6.490 14.560 -3.246 1.00 2.42 H new ATOM 0 HG3 GLU A 50 6.075 12.864 -3.390 1.00 2.42 H new ATOM 768 N GLN A 51 4.725 16.770 -6.549 1.00 30.22 N ATOM 769 CA GLN A 51 4.718 17.040 -7.995 1.00 62.30 C ATOM 770 C GLN A 51 3.281 17.137 -8.497 1.00 64.15 C ATOM 771 O GLN A 51 2.959 16.687 -9.603 1.00 35.12 O ATOM 772 CB GLN A 51 5.497 15.964 -8.752 1.00 64.32 C ATOM 773 CG GLN A 51 6.970 15.965 -8.433 1.00 43.35 C ATOM 774 CD GLN A 51 7.706 14.841 -9.090 1.00 64.24 C ATOM 775 OE1 GLN A 51 8.192 14.978 -10.216 1.00 60.03 O ATOM 776 NE2 GLN A 51 7.814 13.733 -8.403 1.00 35.21 N ATOM 0 H GLN A 51 5.200 17.486 -6.000 1.00 30.22 H new ATOM 0 HA GLN A 51 5.213 17.993 -8.179 1.00 62.30 H new ATOM 0 HB2 GLN A 51 5.080 14.986 -8.512 1.00 64.32 H new ATOM 0 HB3 GLN A 51 5.363 16.113 -9.823 1.00 64.32 H new ATOM 0 HG2 GLN A 51 7.405 16.913 -8.750 1.00 43.35 H new ATOM 0 HG3 GLN A 51 7.103 15.899 -7.353 1.00 43.35 H new ATOM 0 HE21 GLN A 51 7.396 13.665 -7.475 1.00 35.21 H new ATOM 0 HE22 GLN A 51 8.317 12.937 -8.795 1.00 35.21 H new ATOM 785 N VAL A 52 2.421 17.760 -7.670 1.00 54.34 N ATOM 786 CA VAL A 52 0.978 17.933 -7.929 1.00 1.23 C ATOM 787 C VAL A 52 0.203 16.643 -7.640 1.00 61.11 C ATOM 788 O VAL A 52 -0.888 16.693 -7.074 1.00 2.20 O ATOM 789 CB VAL A 52 0.656 18.489 -9.366 1.00 40.41 C ATOM 790 CG1 VAL A 52 -0.849 18.625 -9.592 1.00 13.44 C ATOM 791 CG2 VAL A 52 1.339 19.837 -9.587 1.00 72.42 C ATOM 0 H VAL A 52 2.716 18.167 -6.782 1.00 54.34 H new ATOM 0 HA VAL A 52 0.639 18.701 -7.233 1.00 1.23 H new ATOM 0 HB VAL A 52 1.044 17.770 -10.087 1.00 40.41 H new ATOM 0 HG11 VAL A 52 -1.033 19.012 -10.594 1.00 13.44 H new ATOM 0 HG12 VAL A 52 -1.322 17.649 -9.487 1.00 13.44 H new ATOM 0 HG13 VAL A 52 -1.267 19.312 -8.856 1.00 13.44 H new ATOM 0 HG21 VAL A 52 1.104 20.204 -10.586 1.00 72.42 H new ATOM 0 HG22 VAL A 52 0.983 20.551 -8.845 1.00 72.42 H new ATOM 0 HG23 VAL A 52 2.418 19.719 -9.488 1.00 72.42 H new ATOM 801 N SER A 53 0.800 15.504 -8.008 1.00 53.11 N ATOM 802 CA SER A 53 0.235 14.172 -7.791 1.00 54.11 C ATOM 803 C SER A 53 -1.045 13.954 -8.619 1.00 21.53 C ATOM 804 O SER A 53 -2.130 14.384 -8.237 1.00 62.11 O ATOM 805 CB SER A 53 -0.025 13.924 -6.289 1.00 14.53 C ATOM 806 OG SER A 53 1.157 14.140 -5.523 1.00 23.03 O ATOM 0 H SER A 53 1.707 15.484 -8.474 1.00 53.11 H new ATOM 0 HA SER A 53 0.970 13.444 -8.134 1.00 54.11 H new ATOM 0 HB2 SER A 53 -0.816 14.588 -5.939 1.00 14.53 H new ATOM 0 HB3 SER A 53 -0.377 12.903 -6.141 1.00 14.53 H new ATOM 0 HG SER A 53 1.919 14.265 -6.126 1.00 23.03 H new ATOM 812 N SER A 54 -0.912 13.309 -9.754 1.00 21.42 N ATOM 813 CA SER A 54 -2.048 13.068 -10.613 1.00 1.23 C ATOM 814 C SER A 54 -2.864 11.873 -10.097 1.00 32.22 C ATOM 815 O SER A 54 -2.350 11.047 -9.345 1.00 4.23 O ATOM 816 CB SER A 54 -1.558 12.800 -12.053 1.00 44.32 C ATOM 817 OG SER A 54 -0.702 11.665 -12.111 1.00 1.05 O ATOM 0 H SER A 54 -0.028 12.941 -10.105 1.00 21.42 H new ATOM 0 HA SER A 54 -2.691 13.948 -10.611 1.00 1.23 H new ATOM 0 HB2 SER A 54 -2.416 12.643 -12.707 1.00 44.32 H new ATOM 0 HB3 SER A 54 -1.028 13.676 -12.427 1.00 44.32 H new ATOM 0 HG SER A 54 -0.285 11.614 -12.997 1.00 1.05 H new ATOM 823 N PRO A 55 -4.153 11.763 -10.467 1.00 21.52 N ATOM 824 CA PRO A 55 -4.960 10.581 -10.135 1.00 64.34 C ATOM 825 C PRO A 55 -4.501 9.390 -10.983 1.00 24.11 C ATOM 826 O PRO A 55 -4.799 8.226 -10.707 1.00 52.02 O ATOM 827 CB PRO A 55 -6.377 10.988 -10.517 1.00 63.41 C ATOM 828 CG PRO A 55 -6.204 12.043 -11.562 1.00 31.10 C ATOM 829 CD PRO A 55 -4.945 12.781 -11.201 1.00 61.24 C ATOM 0 HA PRO A 55 -4.877 10.282 -9.090 1.00 64.34 H new ATOM 0 HB2 PRO A 55 -6.942 10.139 -10.902 1.00 63.41 H new ATOM 0 HB3 PRO A 55 -6.924 11.371 -9.656 1.00 63.41 H new ATOM 0 HG2 PRO A 55 -6.125 11.600 -12.555 1.00 31.10 H new ATOM 0 HG3 PRO A 55 -7.060 12.718 -11.581 1.00 31.10 H new ATOM 0 HD2 PRO A 55 -4.420 13.138 -12.087 1.00 61.24 H new ATOM 0 HD3 PRO A 55 -5.153 13.653 -10.581 1.00 61.24 H new ATOM 837 N ASN A 56 -3.757 9.724 -12.016 1.00 14.25 N ATOM 838 CA ASN A 56 -3.217 8.793 -12.988 1.00 52.03 C ATOM 839 C ASN A 56 -2.152 7.897 -12.368 1.00 25.05 C ATOM 840 O ASN A 56 -1.762 6.892 -12.962 1.00 21.35 O ATOM 841 CB ASN A 56 -2.642 9.566 -14.196 1.00 41.12 C ATOM 842 CG ASN A 56 -3.704 10.368 -14.959 1.00 51.41 C ATOM 843 OD1 ASN A 56 -4.704 10.804 -14.390 1.00 44.04 O ATOM 844 ND2 ASN A 56 -3.491 10.577 -16.230 1.00 22.51 N ATOM 0 H ASN A 56 -3.500 10.692 -12.211 1.00 14.25 H new ATOM 0 HA ASN A 56 -4.028 8.150 -13.331 1.00 52.03 H new ATOM 0 HB2 ASN A 56 -1.863 10.245 -13.848 1.00 41.12 H new ATOM 0 HB3 ASN A 56 -2.168 8.861 -14.879 1.00 41.12 H new ATOM 0 HD21 ASN A 56 -4.163 11.114 -16.778 1.00 22.51 H new ATOM 0 HD22 ASN A 56 -2.653 10.203 -16.675 1.00 22.51 H new ATOM 851 N ILE A 57 -1.684 8.262 -11.167 1.00 63.41 N ATOM 852 CA ILE A 57 -0.688 7.471 -10.468 1.00 60.44 C ATOM 853 C ILE A 57 -1.335 6.254 -9.820 1.00 74.24 C ATOM 854 O ILE A 57 -0.659 5.278 -9.498 1.00 60.25 O ATOM 855 CB ILE A 57 0.128 8.325 -9.415 1.00 55.15 C ATOM 856 CG1 ILE A 57 -0.705 8.809 -8.197 1.00 21.54 C ATOM 857 CG2 ILE A 57 0.782 9.513 -10.090 1.00 24.32 C ATOM 858 CD1 ILE A 57 -0.886 7.778 -7.084 1.00 2.43 C ATOM 0 H ILE A 57 -1.984 9.100 -10.668 1.00 63.41 H new ATOM 0 HA ILE A 57 0.034 7.124 -11.207 1.00 60.44 H new ATOM 0 HB ILE A 57 0.884 7.648 -9.017 1.00 55.15 H new ATOM 0 HG12 ILE A 57 -0.226 9.693 -7.777 1.00 21.54 H new ATOM 0 HG13 ILE A 57 -1.689 9.117 -8.549 1.00 21.54 H new ATOM 0 HG21 ILE A 57 1.339 10.090 -9.352 1.00 24.32 H new ATOM 0 HG22 ILE A 57 1.463 9.162 -10.865 1.00 24.32 H new ATOM 0 HG23 ILE A 57 0.015 10.144 -10.540 1.00 24.32 H new ATOM 0 HD11 ILE A 57 -1.481 8.211 -6.280 1.00 2.43 H new ATOM 0 HD12 ILE A 57 -1.397 6.900 -7.481 1.00 2.43 H new ATOM 0 HD13 ILE A 57 0.090 7.486 -6.696 1.00 2.43 H new ATOM 870 N LEU A 58 -2.652 6.320 -9.633 1.00 30.42 N ATOM 871 CA LEU A 58 -3.386 5.223 -9.046 1.00 34.43 C ATOM 872 C LEU A 58 -3.611 4.155 -10.085 1.00 13.14 C ATOM 873 O LEU A 58 -4.397 4.345 -11.014 1.00 44.40 O ATOM 874 CB LEU A 58 -4.760 5.655 -8.444 1.00 11.05 C ATOM 875 CG LEU A 58 -4.782 6.570 -7.197 1.00 61.15 C ATOM 876 CD1 LEU A 58 -4.315 7.971 -7.504 1.00 63.42 C ATOM 877 CD2 LEU A 58 -6.173 6.598 -6.581 1.00 62.40 C ATOM 0 H LEU A 58 -3.225 7.126 -9.883 1.00 30.42 H new ATOM 0 HA LEU A 58 -2.781 4.843 -8.222 1.00 34.43 H new ATOM 0 HB2 LEU A 58 -5.319 6.160 -9.232 1.00 11.05 H new ATOM 0 HB3 LEU A 58 -5.309 4.747 -8.195 1.00 11.05 H new ATOM 0 HG LEU A 58 -4.080 6.147 -6.478 1.00 61.15 H new ATOM 0 HD11 LEU A 58 -4.349 8.573 -6.596 1.00 63.42 H new ATOM 0 HD12 LEU A 58 -3.292 7.939 -7.880 1.00 63.42 H new ATOM 0 HD13 LEU A 58 -4.965 8.414 -8.258 1.00 63.42 H new ATOM 0 HD21 LEU A 58 -6.170 7.246 -5.705 1.00 62.40 H new ATOM 0 HD22 LEU A 58 -6.887 6.978 -7.312 1.00 62.40 H new ATOM 0 HD23 LEU A 58 -6.460 5.589 -6.285 1.00 62.40 H new ATOM 889 N ARG A 59 -2.893 3.064 -9.968 1.00 72.24 N ATOM 890 CA ARG A 59 -3.045 1.937 -10.863 1.00 50.24 C ATOM 891 C ARG A 59 -2.942 0.666 -10.065 1.00 0.14 C ATOM 892 O ARG A 59 -2.158 0.581 -9.112 1.00 54.20 O ATOM 893 CB ARG A 59 -1.999 1.962 -11.984 1.00 4.45 C ATOM 894 CG ARG A 59 -2.102 3.173 -12.882 1.00 60.23 C ATOM 895 CD ARG A 59 -1.008 3.220 -13.919 1.00 12.45 C ATOM 896 NE ARG A 59 -1.099 4.446 -14.706 1.00 40.21 N ATOM 897 CZ ARG A 59 -0.364 4.736 -15.779 1.00 31.30 C ATOM 898 NH1 ARG A 59 0.553 3.878 -16.227 1.00 24.51 N ATOM 899 NH2 ARG A 59 -0.547 5.888 -16.406 1.00 35.43 N ATOM 0 H ARG A 59 -2.184 2.930 -9.247 1.00 72.24 H new ATOM 0 HA ARG A 59 -4.023 1.994 -11.341 1.00 50.24 H new ATOM 0 HB2 ARG A 59 -1.003 1.932 -11.541 1.00 4.45 H new ATOM 0 HB3 ARG A 59 -2.106 1.062 -12.589 1.00 4.45 H new ATOM 0 HG2 ARG A 59 -3.071 3.169 -13.381 1.00 60.23 H new ATOM 0 HG3 ARG A 59 -2.060 4.077 -12.274 1.00 60.23 H new ATOM 0 HD2 ARG A 59 -0.035 3.166 -13.431 1.00 12.45 H new ATOM 0 HD3 ARG A 59 -1.084 2.353 -14.576 1.00 12.45 H new ATOM 0 HE ARG A 59 -1.784 5.141 -14.409 1.00 40.21 H new ATOM 0 HH11 ARG A 59 0.697 2.989 -15.747 1.00 24.51 H new ATOM 0 HH12 ARG A 59 1.110 4.110 -17.049 1.00 24.51 H new ATOM 0 HH21 ARG A 59 -1.247 6.547 -16.067 1.00 35.43 H new ATOM 0 HH22 ARG A 59 0.012 6.116 -17.228 1.00 35.43 H new ATOM 913 N LEU A 60 -3.723 -0.307 -10.425 1.00 12.42 N ATOM 914 CA LEU A 60 -3.759 -1.534 -9.686 1.00 72.42 C ATOM 915 C LEU A 60 -3.514 -2.725 -10.581 1.00 34.12 C ATOM 916 O LEU A 60 -3.996 -2.778 -11.718 1.00 44.23 O ATOM 917 CB LEU A 60 -5.097 -1.638 -8.904 1.00 21.34 C ATOM 918 CG LEU A 60 -6.402 -1.576 -9.725 1.00 30.52 C ATOM 919 CD1 LEU A 60 -6.735 -2.899 -10.394 1.00 25.10 C ATOM 920 CD2 LEU A 60 -7.555 -1.085 -8.898 1.00 14.51 C ATOM 0 H LEU A 60 -4.348 -0.275 -11.231 1.00 12.42 H new ATOM 0 HA LEU A 60 -2.948 -1.535 -8.958 1.00 72.42 H new ATOM 0 HB2 LEU A 60 -5.092 -2.576 -8.349 1.00 21.34 H new ATOM 0 HB3 LEU A 60 -5.122 -0.833 -8.169 1.00 21.34 H new ATOM 0 HG LEU A 60 -6.227 -0.853 -10.521 1.00 30.52 H new ATOM 0 HD11 LEU A 60 -7.662 -2.798 -10.958 1.00 25.10 H new ATOM 0 HD12 LEU A 60 -5.927 -3.178 -11.071 1.00 25.10 H new ATOM 0 HD13 LEU A 60 -6.855 -3.671 -9.634 1.00 25.10 H new ATOM 0 HD21 LEU A 60 -8.456 -1.055 -9.511 1.00 14.51 H new ATOM 0 HD22 LEU A 60 -7.711 -1.759 -8.056 1.00 14.51 H new ATOM 0 HD23 LEU A 60 -7.336 -0.084 -8.526 1.00 14.51 H new ATOM 932 N ILE A 61 -2.749 -3.646 -10.089 1.00 52.25 N ATOM 933 CA ILE A 61 -2.450 -4.854 -10.787 1.00 21.24 C ATOM 934 C ILE A 61 -3.161 -5.988 -10.102 1.00 53.40 C ATOM 935 O ILE A 61 -2.915 -6.282 -8.921 1.00 50.53 O ATOM 936 CB ILE A 61 -0.933 -5.127 -10.793 1.00 55.32 C ATOM 937 CG1 ILE A 61 -0.207 -3.987 -11.485 1.00 12.31 C ATOM 938 CG2 ILE A 61 -0.618 -6.457 -11.487 1.00 53.00 C ATOM 939 CD1 ILE A 61 1.302 -4.066 -11.382 1.00 44.24 C ATOM 0 H ILE A 61 -2.306 -3.578 -9.173 1.00 52.25 H new ATOM 0 HA ILE A 61 -2.782 -4.761 -11.821 1.00 21.24 H new ATOM 0 HB ILE A 61 -0.590 -5.196 -9.761 1.00 55.32 H new ATOM 0 HG12 ILE A 61 -0.489 -3.976 -12.538 1.00 12.31 H new ATOM 0 HG13 ILE A 61 -0.541 -3.043 -11.055 1.00 12.31 H new ATOM 0 HG21 ILE A 61 0.459 -6.626 -11.478 1.00 53.00 H new ATOM 0 HG22 ILE A 61 -1.117 -7.270 -10.960 1.00 53.00 H new ATOM 0 HG23 ILE A 61 -0.971 -6.422 -12.518 1.00 53.00 H new ATOM 0 HD11 ILE A 61 1.747 -3.217 -11.901 1.00 44.24 H new ATOM 0 HD12 ILE A 61 1.597 -4.045 -10.333 1.00 44.24 H new ATOM 0 HD13 ILE A 61 1.650 -4.993 -11.838 1.00 44.24 H new ATOM 951 N TYR A 62 -4.006 -6.640 -10.817 1.00 75.22 N ATOM 952 CA TYR A 62 -4.743 -7.725 -10.275 1.00 32.21 C ATOM 953 C TYR A 62 -4.088 -8.988 -10.743 1.00 12.21 C ATOM 954 O TYR A 62 -4.525 -9.630 -11.698 1.00 51.32 O ATOM 955 CB TYR A 62 -6.214 -7.637 -10.681 1.00 43.25 C ATOM 956 CG TYR A 62 -7.113 -8.722 -10.137 1.00 53.12 C ATOM 957 CD1 TYR A 62 -7.271 -8.902 -8.779 1.00 33.04 C ATOM 958 CD2 TYR A 62 -7.817 -9.556 -10.995 1.00 33.34 C ATOM 959 CE1 TYR A 62 -8.100 -9.881 -8.285 1.00 63.20 C ATOM 960 CE2 TYR A 62 -8.652 -10.533 -10.512 1.00 32.11 C ATOM 961 CZ TYR A 62 -8.789 -10.693 -9.159 1.00 41.10 C ATOM 962 OH TYR A 62 -9.639 -11.656 -8.674 1.00 22.03 O ATOM 0 H TYR A 62 -4.207 -6.436 -11.796 1.00 75.22 H new ATOM 0 HA TYR A 62 -4.736 -7.701 -9.185 1.00 32.21 H new ATOM 0 HB2 TYR A 62 -6.604 -6.672 -10.357 1.00 43.25 H new ATOM 0 HB3 TYR A 62 -6.273 -7.655 -11.769 1.00 43.25 H new ATOM 0 HD1 TYR A 62 -6.735 -8.264 -8.092 1.00 33.04 H new ATOM 0 HD2 TYR A 62 -7.706 -9.434 -12.062 1.00 33.34 H new ATOM 0 HE1 TYR A 62 -8.210 -10.013 -7.219 1.00 63.20 H new ATOM 0 HE2 TYR A 62 -9.196 -11.170 -11.194 1.00 32.11 H new ATOM 0 HH TYR A 62 -10.566 -11.356 -8.778 1.00 22.03 H new ATOM 972 N GLN A 63 -2.959 -9.240 -10.087 1.00 41.04 N ATOM 973 CA GLN A 63 -2.042 -10.305 -10.314 1.00 53.04 C ATOM 974 C GLN A 63 -1.876 -10.657 -11.806 1.00 12.23 C ATOM 975 O GLN A 63 -2.577 -11.512 -12.349 1.00 22.22 O ATOM 976 CB GLN A 63 -2.370 -11.469 -9.396 1.00 42.40 C ATOM 977 CG GLN A 63 -1.209 -12.365 -9.100 1.00 50.44 C ATOM 978 CD GLN A 63 -0.868 -13.390 -10.164 1.00 41.43 C ATOM 979 OE1 GLN A 63 -1.864 -13.900 -10.844 1.00 43.44 O flip ATOM 980 NE2 GLN A 63 0.300 -13.746 -10.344 1.00 10.53 N flip ATOM 0 H GLN A 63 -2.654 -8.640 -9.320 1.00 41.04 H new ATOM 0 HA GLN A 63 -1.039 -9.976 -10.043 1.00 53.04 H new ATOM 0 HB2 GLN A 63 -2.760 -11.077 -8.457 1.00 42.40 H new ATOM 0 HB3 GLN A 63 -3.165 -12.061 -9.849 1.00 42.40 H new ATOM 0 HG2 GLN A 63 -0.330 -11.743 -8.929 1.00 50.44 H new ATOM 0 HG3 GLN A 63 -1.412 -12.893 -8.168 1.00 50.44 H new ATOM 0 HE21 GLN A 63 1.051 -13.327 -9.796 1.00 10.53 H new ATOM 0 HE22 GLN A 63 0.514 -14.459 -11.041 1.00 10.53 H new ATOM 989 N GLY A 64 -0.988 -9.941 -12.460 1.00 60.34 N ATOM 990 CA GLY A 64 -0.756 -10.153 -13.861 1.00 75.11 C ATOM 991 C GLY A 64 -0.987 -8.906 -14.701 1.00 43.25 C ATOM 992 O GLY A 64 -0.076 -8.445 -15.392 1.00 71.12 O ATOM 0 H GLY A 64 -0.417 -9.208 -12.039 1.00 60.34 H new ATOM 0 HA2 GLY A 64 0.268 -10.496 -14.005 1.00 75.11 H new ATOM 0 HA3 GLY A 64 -1.412 -10.949 -14.215 1.00 75.11 H new ATOM 996 N ARG A 65 -2.185 -8.341 -14.627 1.00 4.45 N ATOM 997 CA ARG A 65 -2.539 -7.181 -15.458 1.00 54.53 C ATOM 998 C ARG A 65 -3.150 -6.035 -14.642 1.00 24.12 C ATOM 999 O ARG A 65 -3.651 -6.246 -13.527 1.00 0.32 O ATOM 1000 CB ARG A 65 -3.486 -7.603 -16.607 1.00 14.21 C ATOM 1001 CG ARG A 65 -4.769 -8.299 -16.153 1.00 10.11 C ATOM 1002 CD ARG A 65 -5.635 -8.725 -17.337 1.00 71.13 C ATOM 1003 NE ARG A 65 -6.811 -9.499 -16.901 1.00 40.21 N ATOM 1004 CZ ARG A 65 -7.733 -10.052 -17.707 1.00 32.12 C ATOM 1005 NH1 ARG A 65 -7.689 -9.870 -19.019 1.00 20.43 N ATOM 1006 NH2 ARG A 65 -8.704 -10.782 -17.187 1.00 24.12 N ATOM 0 H ARG A 65 -2.929 -8.659 -14.006 1.00 4.45 H new ATOM 0 HA ARG A 65 -1.611 -6.802 -15.886 1.00 54.53 H new ATOM 0 HB2 ARG A 65 -3.753 -6.717 -17.183 1.00 14.21 H new ATOM 0 HB3 ARG A 65 -2.945 -8.269 -17.279 1.00 14.21 H new ATOM 0 HG2 ARG A 65 -4.515 -9.174 -15.555 1.00 10.11 H new ATOM 0 HG3 ARG A 65 -5.338 -7.628 -15.510 1.00 10.11 H new ATOM 0 HD2 ARG A 65 -5.963 -7.841 -17.884 1.00 71.13 H new ATOM 0 HD3 ARG A 65 -5.040 -9.324 -18.026 1.00 71.13 H new ATOM 0 HE ARG A 65 -6.936 -9.626 -15.897 1.00 40.21 H new ATOM 0 HH11 ARG A 65 -6.948 -9.303 -19.431 1.00 20.43 H new ATOM 0 HH12 ARG A 65 -8.397 -10.297 -19.617 1.00 20.43 H new ATOM 0 HH21 ARG A 65 -8.751 -10.924 -16.178 1.00 24.12 H new ATOM 0 HH22 ARG A 65 -9.406 -11.204 -17.795 1.00 24.12 H new ATOM 1020 N PHE A 66 -3.109 -4.834 -15.206 1.00 74.31 N ATOM 1021 CA PHE A 66 -3.651 -3.634 -14.573 1.00 50.42 C ATOM 1022 C PHE A 66 -5.109 -3.508 -14.981 1.00 31.01 C ATOM 1023 O PHE A 66 -5.405 -3.265 -16.151 1.00 74.42 O ATOM 1024 CB PHE A 66 -2.910 -2.373 -15.072 1.00 23.25 C ATOM 1025 CG PHE A 66 -1.422 -2.305 -14.823 1.00 23.52 C ATOM 1026 CD1 PHE A 66 -0.536 -3.076 -15.565 1.00 51.54 C ATOM 1027 CD2 PHE A 66 -0.908 -1.435 -13.878 1.00 14.32 C ATOM 1028 CE1 PHE A 66 0.825 -2.980 -15.364 1.00 72.02 C ATOM 1029 CE2 PHE A 66 0.452 -1.341 -13.670 1.00 14.14 C ATOM 1030 CZ PHE A 66 1.319 -2.112 -14.414 1.00 64.22 C ATOM 0 H PHE A 66 -2.696 -4.662 -16.123 1.00 74.31 H new ATOM 0 HA PHE A 66 -3.536 -3.716 -13.492 1.00 50.42 H new ATOM 0 HB2 PHE A 66 -3.078 -2.285 -16.145 1.00 23.25 H new ATOM 0 HB3 PHE A 66 -3.371 -1.503 -14.605 1.00 23.25 H new ATOM 0 HD1 PHE A 66 -0.918 -3.759 -16.309 1.00 51.54 H new ATOM 0 HD2 PHE A 66 -1.580 -0.822 -13.296 1.00 14.32 H new ATOM 0 HE1 PHE A 66 1.502 -3.584 -15.950 1.00 72.02 H new ATOM 0 HE2 PHE A 66 0.838 -0.663 -12.924 1.00 14.14 H new ATOM 0 HZ PHE A 66 2.384 -2.036 -14.253 1.00 64.22 H new ATOM 1040 N LEU A 67 -6.017 -3.660 -14.052 1.00 52.53 N ATOM 1041 CA LEU A 67 -7.443 -3.637 -14.424 1.00 50.12 C ATOM 1042 C LEU A 67 -7.999 -2.236 -14.610 1.00 35.53 C ATOM 1043 O LEU A 67 -8.670 -1.958 -15.599 1.00 53.03 O ATOM 1044 CB LEU A 67 -8.315 -4.399 -13.444 1.00 65.14 C ATOM 1045 CG LEU A 67 -8.039 -5.883 -13.281 1.00 4.04 C ATOM 1046 CD1 LEU A 67 -9.025 -6.464 -12.304 1.00 24.24 C ATOM 1047 CD2 LEU A 67 -8.120 -6.612 -14.615 1.00 60.21 C ATOM 0 H LEU A 67 -5.824 -3.798 -13.060 1.00 52.53 H new ATOM 0 HA LEU A 67 -7.476 -4.141 -15.390 1.00 50.12 H new ATOM 0 HB2 LEU A 67 -8.217 -3.927 -12.466 1.00 65.14 H new ATOM 0 HB3 LEU A 67 -9.354 -4.280 -13.752 1.00 65.14 H new ATOM 0 HG LEU A 67 -7.026 -6.011 -12.900 1.00 4.04 H new ATOM 0 HD11 LEU A 67 -8.832 -7.530 -12.183 1.00 24.24 H new ATOM 0 HD12 LEU A 67 -8.920 -5.964 -11.341 1.00 24.24 H new ATOM 0 HD13 LEU A 67 -10.038 -6.319 -12.680 1.00 24.24 H new ATOM 0 HD21 LEU A 67 -7.917 -7.672 -14.463 1.00 60.21 H new ATOM 0 HD22 LEU A 67 -9.118 -6.490 -15.036 1.00 60.21 H new ATOM 0 HD23 LEU A 67 -7.383 -6.197 -15.302 1.00 60.21 H new ATOM 1059 N HIS A 68 -7.720 -1.355 -13.674 1.00 41.43 N ATOM 1060 CA HIS A 68 -8.253 -0.009 -13.727 1.00 2.23 C ATOM 1061 C HIS A 68 -7.458 0.810 -12.736 1.00 53.11 C ATOM 1062 O HIS A 68 -6.632 0.257 -12.024 1.00 64.13 O ATOM 1063 CB HIS A 68 -9.756 -0.037 -13.332 1.00 64.22 C ATOM 1064 CG HIS A 68 -10.555 1.162 -13.760 1.00 13.34 C ATOM 1065 ND1 HIS A 68 -11.401 1.877 -12.930 1.00 44.14 N ATOM 1066 CD2 HIS A 68 -10.676 1.718 -14.972 1.00 23.23 C ATOM 1067 CE1 HIS A 68 -11.997 2.817 -13.635 1.00 74.33 C ATOM 1068 NE2 HIS A 68 -11.577 2.741 -14.879 1.00 24.31 N ATOM 0 H HIS A 68 -7.127 -1.546 -12.866 1.00 41.43 H new ATOM 0 HA HIS A 68 -8.176 0.419 -14.726 1.00 2.23 H new ATOM 0 HB2 HIS A 68 -10.211 -0.929 -13.762 1.00 64.22 H new ATOM 0 HB3 HIS A 68 -9.828 -0.133 -12.249 1.00 64.22 H new ATOM 0 HD2 HIS A 68 -10.153 1.412 -15.866 1.00 23.23 H new ATOM 0 HE1 HIS A 68 -12.712 3.531 -13.254 1.00 74.33 H new ATOM 0 HE2 HIS A 68 -11.874 3.345 -15.646 1.00 24.31 H new ATOM 1077 N GLY A 69 -7.689 2.095 -12.680 1.00 31.22 N ATOM 1078 CA GLY A 69 -6.959 2.924 -11.756 1.00 23.12 C ATOM 1079 C GLY A 69 -7.552 2.975 -10.351 1.00 14.13 C ATOM 1080 O GLY A 69 -6.982 3.599 -9.472 1.00 12.14 O ATOM 0 H GLY A 69 -8.370 2.588 -13.257 1.00 31.22 H new ATOM 0 HA2 GLY A 69 -5.934 2.559 -11.691 1.00 23.12 H new ATOM 0 HA3 GLY A 69 -6.912 3.937 -12.155 1.00 23.12 H new ATOM 1084 N ASN A 70 -8.681 2.298 -10.126 1.00 22.33 N ATOM 1085 CA ASN A 70 -9.395 2.399 -8.835 1.00 73.35 C ATOM 1086 C ASN A 70 -10.594 1.465 -8.766 1.00 43.34 C ATOM 1087 O ASN A 70 -11.537 1.724 -8.027 1.00 62.52 O ATOM 1088 CB ASN A 70 -9.858 3.862 -8.562 1.00 43.13 C ATOM 1089 CG ASN A 70 -10.719 4.469 -9.668 1.00 0.11 C ATOM 1090 OD1 ASN A 70 -11.434 3.771 -10.396 1.00 24.11 O ATOM 1091 ND2 ASN A 70 -10.661 5.770 -9.798 1.00 70.12 N ATOM 0 H ASN A 70 -9.122 1.680 -10.807 1.00 22.33 H new ATOM 0 HA ASN A 70 -8.685 2.097 -8.065 1.00 73.35 H new ATOM 0 HB2 ASN A 70 -10.420 3.884 -7.628 1.00 43.13 H new ATOM 0 HB3 ASN A 70 -8.977 4.488 -8.419 1.00 43.13 H new ATOM 0 HD21 ASN A 70 -11.216 6.236 -10.516 1.00 70.12 H new ATOM 0 HD22 ASN A 70 -10.061 6.318 -9.181 1.00 70.12 H new ATOM 1098 N VAL A 71 -10.538 0.362 -9.486 1.00 1.12 N ATOM 1099 CA VAL A 71 -11.649 -0.574 -9.487 1.00 73.24 C ATOM 1100 C VAL A 71 -11.737 -1.282 -8.120 1.00 43.42 C ATOM 1101 O VAL A 71 -10.702 -1.556 -7.477 1.00 2.31 O ATOM 1102 CB VAL A 71 -11.582 -1.574 -10.696 1.00 24.13 C ATOM 1103 CG1 VAL A 71 -10.363 -2.451 -10.664 1.00 50.25 C ATOM 1104 CG2 VAL A 71 -12.824 -2.403 -10.820 1.00 62.12 C ATOM 0 H VAL A 71 -9.747 0.092 -10.071 1.00 1.12 H new ATOM 0 HA VAL A 71 -12.575 -0.017 -9.632 1.00 73.24 H new ATOM 0 HB VAL A 71 -11.507 -0.947 -11.584 1.00 24.13 H new ATOM 0 HG11 VAL A 71 -10.373 -3.120 -11.525 1.00 50.25 H new ATOM 0 HG12 VAL A 71 -9.467 -1.831 -10.697 1.00 50.25 H new ATOM 0 HG13 VAL A 71 -10.362 -3.040 -9.747 1.00 50.25 H new ATOM 0 HG21 VAL A 71 -12.728 -3.078 -11.671 1.00 62.12 H new ATOM 0 HG22 VAL A 71 -12.965 -2.985 -9.909 1.00 62.12 H new ATOM 0 HG23 VAL A 71 -13.684 -1.750 -10.971 1.00 62.12 H new ATOM 1114 N THR A 72 -12.946 -1.516 -7.675 1.00 0.10 N ATOM 1115 CA THR A 72 -13.207 -2.079 -6.376 1.00 2.14 C ATOM 1116 C THR A 72 -12.986 -3.592 -6.357 1.00 44.03 C ATOM 1117 O THR A 72 -13.043 -4.251 -7.401 1.00 4.34 O ATOM 1118 CB THR A 72 -14.648 -1.733 -5.944 1.00 23.33 C ATOM 1119 OG1 THR A 72 -15.562 -2.104 -7.000 1.00 24.00 O ATOM 1120 CG2 THR A 72 -14.781 -0.242 -5.666 1.00 2.23 C ATOM 0 H THR A 72 -13.789 -1.317 -8.214 1.00 0.10 H new ATOM 0 HA THR A 72 -12.501 -1.645 -5.668 1.00 2.14 H new ATOM 0 HB THR A 72 -14.883 -2.282 -5.032 1.00 23.33 H new ATOM 0 HG1 THR A 72 -16.479 -1.888 -6.730 1.00 24.00 H new ATOM 0 HG21 THR A 72 -15.804 -0.018 -5.363 1.00 2.23 H new ATOM 0 HG22 THR A 72 -14.096 0.042 -4.867 1.00 2.23 H new ATOM 0 HG23 THR A 72 -14.539 0.319 -6.568 1.00 2.23 H new ATOM 1128 N LEU A 73 -12.747 -4.139 -5.171 1.00 24.45 N ATOM 1129 CA LEU A 73 -12.472 -5.555 -5.014 1.00 54.21 C ATOM 1130 C LEU A 73 -13.695 -6.385 -5.371 1.00 20.32 C ATOM 1131 O LEU A 73 -13.575 -7.493 -5.887 1.00 33.11 O ATOM 1132 CB LEU A 73 -12.027 -5.879 -3.586 1.00 13.32 C ATOM 1133 CG LEU A 73 -10.805 -5.124 -3.039 1.00 61.42 C ATOM 1134 CD1 LEU A 73 -9.659 -5.099 -4.023 1.00 13.24 C ATOM 1135 CD2 LEU A 73 -11.150 -3.747 -2.532 1.00 14.12 C ATOM 0 H LEU A 73 -12.739 -3.613 -4.297 1.00 24.45 H new ATOM 0 HA LEU A 73 -11.660 -5.807 -5.696 1.00 54.21 H new ATOM 0 HB2 LEU A 73 -12.868 -5.688 -2.919 1.00 13.32 H new ATOM 0 HB3 LEU A 73 -11.815 -6.947 -3.533 1.00 13.32 H new ATOM 0 HG LEU A 73 -10.463 -5.690 -2.173 1.00 61.42 H new ATOM 0 HD11 LEU A 73 -8.820 -4.554 -3.590 1.00 13.24 H new ATOM 0 HD12 LEU A 73 -9.351 -6.120 -4.249 1.00 13.24 H new ATOM 0 HD13 LEU A 73 -9.978 -4.605 -4.941 1.00 13.24 H new ATOM 0 HD21 LEU A 73 -10.249 -3.261 -2.158 1.00 14.12 H new ATOM 0 HD22 LEU A 73 -11.571 -3.155 -3.345 1.00 14.12 H new ATOM 0 HD23 LEU A 73 -11.880 -3.828 -1.726 1.00 14.12 H new ATOM 1147 N GLY A 74 -14.879 -5.838 -5.099 1.00 75.22 N ATOM 1148 CA GLY A 74 -16.112 -6.509 -5.473 1.00 1.21 C ATOM 1149 C GLY A 74 -16.210 -6.677 -6.978 1.00 31.33 C ATOM 1150 O GLY A 74 -16.670 -7.705 -7.475 1.00 54.00 O ATOM 0 H GLY A 74 -15.005 -4.943 -4.627 1.00 75.22 H new ATOM 0 HA2 GLY A 74 -16.158 -7.486 -4.992 1.00 1.21 H new ATOM 0 HA3 GLY A 74 -16.965 -5.935 -5.112 1.00 1.21 H new ATOM 1154 N ALA A 75 -15.722 -5.678 -7.697 1.00 11.53 N ATOM 1155 CA ALA A 75 -15.719 -5.673 -9.147 1.00 73.54 C ATOM 1156 C ALA A 75 -14.656 -6.629 -9.694 1.00 63.14 C ATOM 1157 O ALA A 75 -14.670 -6.983 -10.873 1.00 11.04 O ATOM 1158 CB ALA A 75 -15.503 -4.267 -9.671 1.00 3.44 C ATOM 0 H ALA A 75 -15.313 -4.840 -7.283 1.00 11.53 H new ATOM 0 HA ALA A 75 -16.692 -6.022 -9.493 1.00 73.54 H new ATOM 0 HB1 ALA A 75 -15.503 -4.281 -10.761 1.00 3.44 H new ATOM 0 HB2 ALA A 75 -16.305 -3.619 -9.316 1.00 3.44 H new ATOM 0 HB3 ALA A 75 -14.545 -3.889 -9.313 1.00 3.44 H new ATOM 1164 N LEU A 76 -13.733 -7.044 -8.832 1.00 32.11 N ATOM 1165 CA LEU A 76 -12.664 -7.963 -9.205 1.00 44.43 C ATOM 1166 C LEU A 76 -13.143 -9.417 -9.163 1.00 72.14 C ATOM 1167 O LEU A 76 -12.322 -10.341 -9.188 1.00 43.31 O ATOM 1168 CB LEU A 76 -11.499 -7.826 -8.245 1.00 54.33 C ATOM 1169 CG LEU A 76 -10.880 -6.457 -8.081 1.00 62.24 C ATOM 1170 CD1 LEU A 76 -9.742 -6.541 -7.134 1.00 63.25 C ATOM 1171 CD2 LEU A 76 -10.414 -5.919 -9.385 1.00 71.14 C ATOM 0 H LEU A 76 -13.705 -6.752 -7.855 1.00 32.11 H new ATOM 0 HA LEU A 76 -12.357 -7.710 -10.220 1.00 44.43 H new ATOM 0 HB2 LEU A 76 -11.832 -8.163 -7.263 1.00 54.33 H new ATOM 0 HB3 LEU A 76 -10.716 -8.511 -8.568 1.00 54.33 H new ATOM 0 HG LEU A 76 -11.638 -5.779 -7.689 1.00 62.24 H new ATOM 0 HD11 LEU A 76 -9.294 -5.554 -7.015 1.00 63.25 H new ATOM 0 HD12 LEU A 76 -10.098 -6.897 -6.167 1.00 63.25 H new ATOM 0 HD13 LEU A 76 -8.995 -7.233 -7.523 1.00 63.25 H new ATOM 0 HD21 LEU A 76 -9.973 -4.933 -9.235 1.00 71.14 H new ATOM 0 HD22 LEU A 76 -9.667 -6.590 -9.809 1.00 71.14 H new ATOM 0 HD23 LEU A 76 -11.259 -5.839 -10.068 1.00 71.14 H new ATOM 1183 N LYS A 77 -14.474 -9.606 -9.111 1.00 3.43 N ATOM 1184 CA LYS A 77 -15.115 -10.941 -9.071 1.00 20.15 C ATOM 1185 C LYS A 77 -14.786 -11.659 -7.756 1.00 50.10 C ATOM 1186 O LYS A 77 -14.864 -12.887 -7.663 1.00 22.02 O ATOM 1187 CB LYS A 77 -14.703 -11.850 -10.286 1.00 12.23 C ATOM 1188 CG LYS A 77 -15.120 -11.371 -11.698 1.00 4.31 C ATOM 1189 CD LYS A 77 -14.355 -10.135 -12.171 1.00 64.04 C ATOM 1190 CE LYS A 77 -14.818 -9.666 -13.555 1.00 55.42 C ATOM 1191 NZ LYS A 77 -14.616 -10.693 -14.608 1.00 3.22 N ATOM 0 H LYS A 77 -15.142 -8.835 -9.095 1.00 3.43 H new ATOM 0 HA LYS A 77 -16.189 -10.770 -9.139 1.00 20.15 H new ATOM 0 HB2 LYS A 77 -13.619 -11.961 -10.273 1.00 12.23 H new ATOM 0 HB3 LYS A 77 -15.127 -12.841 -10.126 1.00 12.23 H new ATOM 0 HG2 LYS A 77 -14.962 -12.181 -12.410 1.00 4.31 H new ATOM 0 HG3 LYS A 77 -16.187 -11.150 -11.698 1.00 4.31 H new ATOM 0 HD2 LYS A 77 -14.490 -9.328 -11.451 1.00 64.04 H new ATOM 0 HD3 LYS A 77 -13.289 -10.359 -12.202 1.00 64.04 H new ATOM 0 HE2 LYS A 77 -15.875 -9.402 -13.509 1.00 55.42 H new ATOM 0 HE3 LYS A 77 -14.275 -8.761 -13.827 1.00 55.42 H new ATOM 0 HZ1 LYS A 77 -14.801 -10.274 -15.542 1.00 3.22 H new ATOM 0 HZ2 LYS A 77 -13.636 -11.039 -14.572 1.00 3.22 H new ATOM 0 HZ3 LYS A 77 -15.269 -11.487 -14.449 1.00 3.22 H new ATOM 1205 N LEU A 78 -14.467 -10.886 -6.736 1.00 13.32 N ATOM 1206 CA LEU A 78 -14.053 -11.439 -5.461 1.00 54.42 C ATOM 1207 C LEU A 78 -15.215 -11.633 -4.508 1.00 43.03 C ATOM 1208 O LEU A 78 -15.982 -10.696 -4.258 1.00 63.11 O ATOM 1209 CB LEU A 78 -13.014 -10.536 -4.807 1.00 73.00 C ATOM 1210 CG LEU A 78 -11.722 -10.347 -5.579 1.00 71.10 C ATOM 1211 CD1 LEU A 78 -10.803 -9.391 -4.852 1.00 51.45 C ATOM 1212 CD2 LEU A 78 -11.039 -11.680 -5.797 1.00 51.33 C ATOM 0 H LEU A 78 -14.487 -9.867 -6.766 1.00 13.32 H new ATOM 0 HA LEU A 78 -13.624 -12.419 -5.668 1.00 54.42 H new ATOM 0 HB2 LEU A 78 -13.463 -9.557 -4.643 1.00 73.00 H new ATOM 0 HB3 LEU A 78 -12.772 -10.944 -3.826 1.00 73.00 H new ATOM 0 HG LEU A 78 -11.960 -9.918 -6.552 1.00 71.10 H new ATOM 0 HD11 LEU A 78 -9.882 -9.268 -5.421 1.00 51.45 H new ATOM 0 HD12 LEU A 78 -11.295 -8.424 -4.745 1.00 51.45 H new ATOM 0 HD13 LEU A 78 -10.569 -9.791 -3.865 1.00 51.45 H new ATOM 0 HD21 LEU A 78 -10.113 -11.528 -6.352 1.00 51.33 H new ATOM 0 HD22 LEU A 78 -10.813 -12.135 -4.833 1.00 51.33 H new ATOM 0 HD23 LEU A 78 -11.698 -12.338 -6.363 1.00 51.33 H new ATOM 1224 N PRO A 79 -15.396 -12.850 -3.993 1.00 44.11 N ATOM 1225 CA PRO A 79 -16.370 -13.128 -2.960 1.00 33.44 C ATOM 1226 C PRO A 79 -15.769 -12.864 -1.568 1.00 73.11 C ATOM 1227 O PRO A 79 -14.549 -12.668 -1.427 1.00 45.43 O ATOM 1228 CB PRO A 79 -16.674 -14.631 -3.131 1.00 20.31 C ATOM 1229 CG PRO A 79 -15.714 -15.139 -4.167 1.00 1.02 C ATOM 1230 CD PRO A 79 -14.691 -14.062 -4.392 1.00 33.25 C ATOM 0 HA PRO A 79 -17.259 -12.502 -3.042 1.00 33.44 H new ATOM 0 HB2 PRO A 79 -16.547 -15.163 -2.188 1.00 20.31 H new ATOM 0 HB3 PRO A 79 -17.706 -14.786 -3.447 1.00 20.31 H new ATOM 0 HG2 PRO A 79 -15.236 -16.059 -3.830 1.00 1.02 H new ATOM 0 HG3 PRO A 79 -16.237 -15.372 -5.094 1.00 1.02 H new ATOM 0 HD2 PRO A 79 -13.796 -14.224 -3.792 1.00 33.25 H new ATOM 0 HD3 PRO A 79 -14.373 -14.019 -5.434 1.00 33.25 H new ATOM 1238 N PHE A 80 -16.601 -12.887 -0.554 1.00 53.42 N ATOM 1239 CA PHE A 80 -16.157 -12.611 0.799 1.00 42.22 C ATOM 1240 C PHE A 80 -15.468 -13.840 1.376 1.00 43.13 C ATOM 1241 O PHE A 80 -15.762 -14.978 0.983 1.00 1.53 O ATOM 1242 CB PHE A 80 -17.344 -12.218 1.703 1.00 75.41 C ATOM 1243 CG PHE A 80 -18.130 -11.042 1.227 1.00 74.52 C ATOM 1244 CD1 PHE A 80 -19.176 -11.206 0.337 1.00 14.02 C ATOM 1245 CD2 PHE A 80 -17.838 -9.780 1.679 1.00 25.34 C ATOM 1246 CE1 PHE A 80 -19.912 -10.128 -0.095 1.00 34.21 C ATOM 1247 CE2 PHE A 80 -18.569 -8.694 1.252 1.00 30.45 C ATOM 1248 CZ PHE A 80 -19.609 -8.866 0.363 1.00 14.11 C ATOM 0 H PHE A 80 -17.596 -13.095 -0.638 1.00 53.42 H new ATOM 0 HA PHE A 80 -15.457 -11.776 0.763 1.00 42.22 H new ATOM 0 HB2 PHE A 80 -18.014 -13.073 1.792 1.00 75.41 H new ATOM 0 HB3 PHE A 80 -16.966 -12.004 2.703 1.00 75.41 H new ATOM 0 HD1 PHE A 80 -19.418 -12.195 -0.024 1.00 14.02 H new ATOM 0 HD2 PHE A 80 -17.026 -9.637 2.377 1.00 25.34 H new ATOM 0 HE1 PHE A 80 -20.725 -10.271 -0.791 1.00 34.21 H new ATOM 0 HE2 PHE A 80 -18.327 -7.706 1.614 1.00 30.45 H new ATOM 0 HZ PHE A 80 -20.183 -8.015 0.028 1.00 14.11 H new ATOM 1258 N GLY A 81 -14.546 -13.617 2.276 1.00 0.40 N ATOM 1259 CA GLY A 81 -13.865 -14.718 2.924 1.00 72.24 C ATOM 1260 C GLY A 81 -12.703 -15.291 2.125 1.00 21.12 C ATOM 1261 O GLY A 81 -12.059 -16.232 2.563 1.00 73.23 O ATOM 0 H GLY A 81 -14.247 -12.690 2.579 1.00 0.40 H new ATOM 0 HA2 GLY A 81 -13.494 -14.382 3.892 1.00 72.24 H new ATOM 0 HA3 GLY A 81 -14.585 -15.513 3.117 1.00 72.24 H new ATOM 1265 N LYS A 82 -12.429 -14.734 0.971 1.00 34.11 N ATOM 1266 CA LYS A 82 -11.347 -15.236 0.134 1.00 65.31 C ATOM 1267 C LYS A 82 -10.133 -14.333 0.257 1.00 43.11 C ATOM 1268 O LYS A 82 -10.267 -13.104 0.257 1.00 61.22 O ATOM 1269 CB LYS A 82 -11.781 -15.285 -1.332 1.00 10.41 C ATOM 1270 CG LYS A 82 -13.022 -16.131 -1.616 1.00 41.31 C ATOM 1271 CD LYS A 82 -12.814 -17.606 -1.296 1.00 21.24 C ATOM 1272 CE LYS A 82 -14.072 -18.403 -1.615 1.00 43.30 C ATOM 1273 NZ LYS A 82 -13.915 -19.849 -1.355 1.00 43.03 N ATOM 0 H LYS A 82 -12.933 -13.936 0.584 1.00 34.11 H new ATOM 0 HA LYS A 82 -11.096 -16.242 0.470 1.00 65.31 H new ATOM 0 HB2 LYS A 82 -11.969 -14.267 -1.673 1.00 10.41 H new ATOM 0 HB3 LYS A 82 -10.953 -15.672 -1.926 1.00 10.41 H new ATOM 0 HG2 LYS A 82 -13.858 -15.751 -1.029 1.00 41.31 H new ATOM 0 HG3 LYS A 82 -13.296 -16.026 -2.666 1.00 41.31 H new ATOM 0 HD2 LYS A 82 -11.974 -17.994 -1.872 1.00 21.24 H new ATOM 0 HD3 LYS A 82 -12.559 -17.723 -0.243 1.00 21.24 H new ATOM 0 HE2 LYS A 82 -14.900 -18.019 -1.020 1.00 43.30 H new ATOM 0 HE3 LYS A 82 -14.336 -18.253 -2.662 1.00 43.30 H new ATOM 0 HZ1 LYS A 82 -14.800 -20.342 -1.589 1.00 43.03 H new ATOM 0 HZ2 LYS A 82 -13.143 -20.225 -1.942 1.00 43.03 H new ATOM 0 HZ3 LYS A 82 -13.691 -19.999 -0.351 1.00 43.03 H new ATOM 1287 N THR A 83 -8.967 -14.928 0.377 1.00 23.35 N ATOM 1288 CA THR A 83 -7.736 -14.184 0.436 1.00 44.32 C ATOM 1289 C THR A 83 -7.237 -13.938 -0.981 1.00 43.43 C ATOM 1290 O THR A 83 -6.929 -14.879 -1.726 1.00 71.35 O ATOM 1291 CB THR A 83 -6.671 -14.951 1.253 1.00 52.21 C ATOM 1292 OG1 THR A 83 -7.201 -15.254 2.568 1.00 13.32 O ATOM 1293 CG2 THR A 83 -5.401 -14.118 1.411 1.00 4.54 C ATOM 0 H THR A 83 -8.849 -15.939 0.436 1.00 23.35 H new ATOM 0 HA THR A 83 -7.917 -13.231 0.932 1.00 44.32 H new ATOM 0 HB THR A 83 -6.425 -15.870 0.721 1.00 52.21 H new ATOM 0 HG1 THR A 83 -6.528 -15.742 3.087 1.00 13.32 H new ATOM 0 HG21 THR A 83 -4.667 -14.679 1.989 1.00 4.54 H new ATOM 0 HG22 THR A 83 -4.990 -13.890 0.427 1.00 4.54 H new ATOM 0 HG23 THR A 83 -5.638 -13.189 1.929 1.00 4.54 H new ATOM 1301 N THR A 84 -7.175 -12.692 -1.345 1.00 53.41 N ATOM 1302 CA THR A 84 -6.773 -12.303 -2.665 1.00 41.40 C ATOM 1303 C THR A 84 -5.475 -11.509 -2.614 1.00 21.21 C ATOM 1304 O THR A 84 -5.256 -10.736 -1.685 1.00 23.44 O ATOM 1305 CB THR A 84 -7.878 -11.457 -3.305 1.00 21.33 C ATOM 1306 OG1 THR A 84 -9.113 -12.196 -3.245 1.00 35.34 O ATOM 1307 CG2 THR A 84 -7.550 -11.134 -4.760 1.00 1.14 C ATOM 0 H THR A 84 -7.403 -11.911 -0.730 1.00 53.41 H new ATOM 0 HA THR A 84 -6.606 -13.199 -3.264 1.00 41.40 H new ATOM 0 HB THR A 84 -7.965 -10.517 -2.761 1.00 21.33 H new ATOM 0 HG1 THR A 84 -9.817 -11.627 -2.870 1.00 35.34 H new ATOM 0 HG21 THR A 84 -8.352 -10.533 -5.189 1.00 1.14 H new ATOM 0 HG22 THR A 84 -6.614 -10.578 -4.807 1.00 1.14 H new ATOM 0 HG23 THR A 84 -7.450 -12.061 -5.325 1.00 1.14 H new ATOM 1315 N VAL A 85 -4.619 -11.720 -3.583 1.00 22.41 N ATOM 1316 CA VAL A 85 -3.364 -11.018 -3.656 1.00 22.35 C ATOM 1317 C VAL A 85 -3.361 -10.046 -4.857 1.00 71.44 C ATOM 1318 O VAL A 85 -3.822 -10.390 -5.950 1.00 43.10 O ATOM 1319 CB VAL A 85 -2.175 -12.017 -3.751 1.00 73.32 C ATOM 1320 CG1 VAL A 85 -2.280 -12.897 -4.991 1.00 35.33 C ATOM 1321 CG2 VAL A 85 -0.847 -11.292 -3.710 1.00 40.04 C ATOM 0 H VAL A 85 -4.774 -12.383 -4.342 1.00 22.41 H new ATOM 0 HA VAL A 85 -3.242 -10.437 -2.742 1.00 22.35 H new ATOM 0 HB VAL A 85 -2.228 -12.670 -2.880 1.00 73.32 H new ATOM 0 HG11 VAL A 85 -1.433 -13.582 -5.024 1.00 35.33 H new ATOM 0 HG12 VAL A 85 -3.207 -13.469 -4.954 1.00 35.33 H new ATOM 0 HG13 VAL A 85 -2.275 -12.271 -5.883 1.00 35.33 H new ATOM 0 HG21 VAL A 85 -0.035 -12.016 -3.778 1.00 40.04 H new ATOM 0 HG22 VAL A 85 -0.785 -10.598 -4.548 1.00 40.04 H new ATOM 0 HG23 VAL A 85 -0.763 -10.739 -2.774 1.00 40.04 H new ATOM 1331 N MET A 86 -2.882 -8.833 -4.639 1.00 13.44 N ATOM 1332 CA MET A 86 -2.825 -7.826 -5.687 1.00 41.11 C ATOM 1333 C MET A 86 -1.526 -7.079 -5.620 1.00 63.41 C ATOM 1334 O MET A 86 -0.910 -6.986 -4.569 1.00 35.21 O ATOM 1335 CB MET A 86 -3.987 -6.828 -5.605 1.00 63.25 C ATOM 1336 CG MET A 86 -5.356 -7.447 -5.776 1.00 23.03 C ATOM 1337 SD MET A 86 -6.681 -6.230 -5.769 1.00 3.25 S ATOM 1338 CE MET A 86 -6.318 -5.288 -7.251 1.00 24.53 C ATOM 0 H MET A 86 -2.524 -8.519 -3.737 1.00 13.44 H new ATOM 0 HA MET A 86 -2.905 -8.355 -6.637 1.00 41.11 H new ATOM 0 HB2 MET A 86 -3.948 -6.323 -4.640 1.00 63.25 H new ATOM 0 HB3 MET A 86 -3.849 -6.064 -6.371 1.00 63.25 H new ATOM 0 HG2 MET A 86 -5.384 -8.001 -6.714 1.00 23.03 H new ATOM 0 HG3 MET A 86 -5.526 -8.167 -4.975 1.00 23.03 H new ATOM 0 HE1 MET A 86 -7.208 -4.739 -7.560 1.00 24.53 H new ATOM 0 HE2 MET A 86 -5.511 -4.585 -7.047 1.00 24.53 H new ATOM 0 HE3 MET A 86 -6.015 -5.967 -8.048 1.00 24.53 H new ATOM 1348 N HIS A 87 -1.102 -6.567 -6.738 1.00 23.33 N ATOM 1349 CA HIS A 87 0.125 -5.792 -6.814 1.00 31.02 C ATOM 1350 C HIS A 87 -0.245 -4.364 -7.106 1.00 12.21 C ATOM 1351 O HIS A 87 -1.071 -4.106 -7.964 1.00 23.12 O ATOM 1352 CB HIS A 87 1.074 -6.326 -7.894 1.00 65.24 C ATOM 1353 CG HIS A 87 1.638 -7.700 -7.632 1.00 23.03 C ATOM 1354 ND1 HIS A 87 2.987 -7.946 -7.517 1.00 53.20 N ATOM 1355 CD2 HIS A 87 1.030 -8.912 -7.506 1.00 73.21 C ATOM 1356 CE1 HIS A 87 3.185 -9.232 -7.333 1.00 3.23 C ATOM 1357 NE2 HIS A 87 2.014 -9.836 -7.321 1.00 74.30 N ATOM 0 H HIS A 87 -1.589 -6.669 -7.629 1.00 23.33 H new ATOM 0 HA HIS A 87 0.654 -5.868 -5.864 1.00 31.02 H new ATOM 0 HB2 HIS A 87 0.542 -6.345 -8.845 1.00 65.24 H new ATOM 0 HB3 HIS A 87 1.902 -5.626 -8.005 1.00 65.24 H new ATOM 0 HD2 HIS A 87 -0.032 -9.104 -7.545 1.00 73.21 H new ATOM 0 HE1 HIS A 87 4.145 -9.712 -7.212 1.00 3.23 H new ATOM 0 HE2 HIS A 87 1.867 -10.837 -7.193 1.00 74.30 H new ATOM 1366 N LEU A 88 0.313 -3.447 -6.389 1.00 32.22 N ATOM 1367 CA LEU A 88 -0.052 -2.063 -6.554 1.00 65.35 C ATOM 1368 C LEU A 88 1.129 -1.239 -6.967 1.00 14.23 C ATOM 1369 O LEU A 88 2.265 -1.512 -6.557 1.00 4.13 O ATOM 1370 CB LEU A 88 -0.687 -1.484 -5.264 1.00 2.41 C ATOM 1371 CG LEU A 88 -2.030 -2.095 -4.787 1.00 10.04 C ATOM 1372 CD1 LEU A 88 -3.101 -1.987 -5.854 1.00 3.13 C ATOM 1373 CD2 LEU A 88 -1.864 -3.530 -4.322 1.00 4.41 C ATOM 0 H LEU A 88 1.025 -3.622 -5.680 1.00 32.22 H new ATOM 0 HA LEU A 88 -0.799 -2.019 -7.347 1.00 65.35 H new ATOM 0 HB2 LEU A 88 0.037 -1.592 -4.456 1.00 2.41 H new ATOM 0 HB3 LEU A 88 -0.839 -0.415 -5.415 1.00 2.41 H new ATOM 0 HG LEU A 88 -2.358 -1.510 -3.928 1.00 10.04 H new ATOM 0 HD11 LEU A 88 -4.028 -2.425 -5.485 1.00 3.13 H new ATOM 0 HD12 LEU A 88 -3.267 -0.938 -6.098 1.00 3.13 H new ATOM 0 HD13 LEU A 88 -2.779 -2.520 -6.748 1.00 3.13 H new ATOM 0 HD21 LEU A 88 -2.828 -3.921 -3.996 1.00 4.41 H new ATOM 0 HD22 LEU A 88 -1.485 -4.137 -5.144 1.00 4.41 H new ATOM 0 HD23 LEU A 88 -1.159 -3.564 -3.491 1.00 4.41 H new ATOM 1385 N VAL A 89 0.878 -0.261 -7.795 1.00 23.43 N ATOM 1386 CA VAL A 89 1.901 0.645 -8.229 1.00 55.04 C ATOM 1387 C VAL A 89 1.521 2.063 -7.835 1.00 70.33 C ATOM 1388 O VAL A 89 0.364 2.477 -7.983 1.00 43.44 O ATOM 1389 CB VAL A 89 2.199 0.546 -9.756 1.00 74.04 C ATOM 1390 CG1 VAL A 89 2.744 -0.829 -10.103 1.00 62.40 C ATOM 1391 CG2 VAL A 89 0.963 0.819 -10.577 1.00 32.42 C ATOM 0 H VAL A 89 -0.044 -0.072 -8.187 1.00 23.43 H new ATOM 0 HA VAL A 89 2.827 0.360 -7.729 1.00 55.04 H new ATOM 0 HB VAL A 89 2.946 1.303 -9.993 1.00 74.04 H new ATOM 0 HG11 VAL A 89 2.947 -0.881 -11.173 1.00 62.40 H new ATOM 0 HG12 VAL A 89 3.667 -1.005 -9.550 1.00 62.40 H new ATOM 0 HG13 VAL A 89 2.010 -1.589 -9.835 1.00 62.40 H new ATOM 0 HG21 VAL A 89 1.206 0.742 -11.637 1.00 32.42 H new ATOM 0 HG22 VAL A 89 0.192 0.090 -10.327 1.00 32.42 H new ATOM 0 HG23 VAL A 89 0.597 1.823 -10.361 1.00 32.42 H new ATOM 1401 N ALA A 90 2.470 2.779 -7.305 1.00 2.11 N ATOM 1402 CA ALA A 90 2.230 4.113 -6.829 1.00 1.03 C ATOM 1403 C ALA A 90 3.313 5.038 -7.332 1.00 2.02 C ATOM 1404 O ALA A 90 4.477 4.639 -7.445 1.00 73.14 O ATOM 1405 CB ALA A 90 2.174 4.115 -5.309 1.00 31.23 C ATOM 0 H ALA A 90 3.431 2.457 -7.190 1.00 2.11 H new ATOM 0 HA ALA A 90 1.272 4.469 -7.208 1.00 1.03 H new ATOM 0 HB1 ALA A 90 1.992 5.129 -4.953 1.00 31.23 H new ATOM 0 HB2 ALA A 90 1.368 3.462 -4.974 1.00 31.23 H new ATOM 0 HB3 ALA A 90 3.122 3.755 -4.910 1.00 31.23 H new ATOM 1411 N ARG A 91 2.941 6.262 -7.623 1.00 43.01 N ATOM 1412 CA ARG A 91 3.841 7.262 -8.167 1.00 2.42 C ATOM 1413 C ARG A 91 3.517 8.569 -7.530 1.00 34.22 C ATOM 1414 O ARG A 91 2.360 8.790 -7.169 1.00 60.54 O ATOM 1415 CB ARG A 91 3.691 7.381 -9.690 1.00 43.11 C ATOM 1416 CG ARG A 91 4.087 6.143 -10.478 1.00 34.13 C ATOM 1417 CD ARG A 91 5.544 5.789 -10.252 1.00 13.22 C ATOM 1418 NE ARG A 91 6.424 6.912 -10.581 1.00 61.15 N ATOM 1419 CZ ARG A 91 7.639 7.106 -10.078 1.00 54.10 C ATOM 1420 NH1 ARG A 91 8.160 6.226 -9.232 1.00 13.21 N ATOM 1421 NH2 ARG A 91 8.326 8.182 -10.427 1.00 35.12 N ATOM 0 H ARG A 91 1.989 6.601 -7.487 1.00 43.01 H new ATOM 0 HA ARG A 91 4.870 6.970 -7.958 1.00 2.42 H new ATOM 0 HB2 ARG A 91 2.653 7.621 -9.919 1.00 43.11 H new ATOM 0 HB3 ARG A 91 4.296 8.220 -10.034 1.00 43.11 H new ATOM 0 HG2 ARG A 91 3.457 5.304 -10.183 1.00 34.13 H new ATOM 0 HG3 ARG A 91 3.913 6.314 -11.540 1.00 34.13 H new ATOM 0 HD2 ARG A 91 5.693 5.501 -9.211 1.00 13.22 H new ATOM 0 HD3 ARG A 91 5.809 4.926 -10.863 1.00 13.22 H new ATOM 0 HE ARG A 91 6.077 7.600 -11.249 1.00 61.15 H new ATOM 0 HH11 ARG A 91 7.628 5.398 -8.966 1.00 13.21 H new ATOM 0 HH12 ARG A 91 9.093 6.378 -8.848 1.00 13.21 H new ATOM 0 HH21 ARG A 91 7.923 8.856 -11.078 1.00 35.12 H new ATOM 0 HH22 ARG A 91 9.259 8.338 -10.045 1.00 35.12 H new ATOM 1435 N GLU A 92 4.532 9.425 -7.347 1.00 14.54 N ATOM 1436 CA GLU A 92 4.360 10.735 -6.683 1.00 51.50 C ATOM 1437 C GLU A 92 3.701 10.557 -5.319 1.00 31.55 C ATOM 1438 O GLU A 92 3.043 11.446 -4.791 1.00 34.42 O ATOM 1439 CB GLU A 92 3.574 11.728 -7.572 1.00 62.15 C ATOM 1440 CG GLU A 92 4.349 12.279 -8.788 1.00 32.04 C ATOM 1441 CD GLU A 92 4.756 11.241 -9.806 1.00 34.24 C ATOM 1442 OE1 GLU A 92 3.968 10.973 -10.746 1.00 2.42 O ATOM 1443 OE2 GLU A 92 5.888 10.690 -9.706 1.00 2.54 O ATOM 0 H GLU A 92 5.488 9.237 -7.650 1.00 14.54 H new ATOM 0 HA GLU A 92 5.348 11.168 -6.528 1.00 51.50 H new ATOM 0 HB2 GLU A 92 2.671 11.233 -7.931 1.00 62.15 H new ATOM 0 HB3 GLU A 92 3.254 12.568 -6.955 1.00 62.15 H new ATOM 0 HG2 GLU A 92 3.733 13.030 -9.283 1.00 32.04 H new ATOM 0 HG3 GLU A 92 5.245 12.786 -8.430 1.00 32.04 H new ATOM 1450 N THR A 93 3.940 9.405 -4.745 1.00 53.13 N ATOM 1451 CA THR A 93 3.361 9.034 -3.522 1.00 65.13 C ATOM 1452 C THR A 93 4.256 9.483 -2.376 1.00 62.32 C ATOM 1453 O THR A 93 5.502 9.420 -2.475 1.00 53.41 O ATOM 1454 CB THR A 93 3.159 7.514 -3.508 1.00 12.13 C ATOM 1455 OG1 THR A 93 2.395 7.173 -4.674 1.00 51.40 O ATOM 1456 CG2 THR A 93 2.401 7.058 -2.262 1.00 73.54 C ATOM 0 H THR A 93 4.559 8.698 -5.141 1.00 53.13 H new ATOM 0 HA THR A 93 2.391 9.516 -3.400 1.00 65.13 H new ATOM 0 HB THR A 93 4.131 7.021 -3.501 1.00 12.13 H new ATOM 0 HG1 THR A 93 1.439 7.202 -4.459 1.00 51.40 H new ATOM 0 HG21 THR A 93 2.277 5.975 -2.287 1.00 73.54 H new ATOM 0 HG22 THR A 93 2.963 7.338 -1.371 1.00 73.54 H new ATOM 0 HG23 THR A 93 1.421 7.535 -2.237 1.00 73.54 H new ATOM 1464 N LEU A 94 3.636 9.966 -1.335 1.00 41.32 N ATOM 1465 CA LEU A 94 4.332 10.434 -0.157 1.00 50.10 C ATOM 1466 C LEU A 94 4.973 9.275 0.576 1.00 45.45 C ATOM 1467 O LEU A 94 4.324 8.266 0.811 1.00 32.14 O ATOM 1468 CB LEU A 94 3.387 11.182 0.795 1.00 63.32 C ATOM 1469 CG LEU A 94 2.839 12.553 0.349 1.00 1.32 C ATOM 1470 CD1 LEU A 94 1.983 12.469 -0.907 1.00 22.44 C ATOM 1471 CD2 LEU A 94 2.048 13.152 1.471 1.00 41.25 C ATOM 0 H LEU A 94 2.621 10.049 -1.275 1.00 41.32 H new ATOM 0 HA LEU A 94 5.106 11.126 -0.490 1.00 50.10 H new ATOM 0 HB2 LEU A 94 2.535 10.533 0.997 1.00 63.32 H new ATOM 0 HB3 LEU A 94 3.911 11.324 1.740 1.00 63.32 H new ATOM 0 HG LEU A 94 3.692 13.185 0.102 1.00 1.32 H new ATOM 0 HD11 LEU A 94 1.626 13.464 -1.171 1.00 22.44 H new ATOM 0 HD12 LEU A 94 2.578 12.067 -1.727 1.00 22.44 H new ATOM 0 HD13 LEU A 94 1.131 11.815 -0.723 1.00 22.44 H new ATOM 0 HD21 LEU A 94 1.657 14.122 1.163 1.00 41.25 H new ATOM 0 HD22 LEU A 94 1.220 12.491 1.726 1.00 41.25 H new ATOM 0 HD23 LEU A 94 2.691 13.280 2.342 1.00 41.25 H new ATOM 1483 N PRO A 95 6.267 9.404 0.932 1.00 41.11 N ATOM 1484 CA PRO A 95 7.018 8.351 1.638 1.00 32.32 C ATOM 1485 C PRO A 95 6.369 7.910 2.958 1.00 75.02 C ATOM 1486 O PRO A 95 6.386 6.730 3.289 1.00 65.21 O ATOM 1487 CB PRO A 95 8.372 9.005 1.909 1.00 62.30 C ATOM 1488 CG PRO A 95 8.502 10.033 0.850 1.00 14.20 C ATOM 1489 CD PRO A 95 7.124 10.574 0.648 1.00 71.05 C ATOM 0 HA PRO A 95 7.067 7.439 1.043 1.00 32.32 H new ATOM 0 HB2 PRO A 95 8.406 9.451 2.903 1.00 62.30 H new ATOM 0 HB3 PRO A 95 9.182 8.278 1.858 1.00 62.30 H new ATOM 0 HG2 PRO A 95 9.193 10.821 1.150 1.00 14.20 H new ATOM 0 HG3 PRO A 95 8.893 9.600 -0.071 1.00 14.20 H new ATOM 0 HD2 PRO A 95 6.912 11.403 1.323 1.00 71.05 H new ATOM 0 HD3 PRO A 95 6.980 10.944 -0.367 1.00 71.05 H new ATOM 1497 N GLU A 96 5.803 8.845 3.702 1.00 55.22 N ATOM 1498 CA GLU A 96 5.185 8.516 4.974 1.00 73.14 C ATOM 1499 C GLU A 96 4.193 9.588 5.394 1.00 43.32 C ATOM 1500 O GLU A 96 4.419 10.777 5.123 1.00 4.41 O ATOM 1501 CB GLU A 96 6.258 8.372 6.071 1.00 52.14 C ATOM 1502 CG GLU A 96 7.105 9.623 6.272 1.00 43.32 C ATOM 1503 CD GLU A 96 8.093 9.488 7.391 1.00 5.44 C ATOM 1504 OE1 GLU A 96 9.163 8.901 7.183 1.00 23.42 O ATOM 1505 OE2 GLU A 96 7.820 9.980 8.498 1.00 4.40 O ATOM 0 H GLU A 96 5.759 9.832 3.449 1.00 55.22 H new ATOM 0 HA GLU A 96 4.656 7.571 4.848 1.00 73.14 H new ATOM 0 HB2 GLU A 96 5.770 8.120 7.012 1.00 52.14 H new ATOM 0 HB3 GLU A 96 6.913 7.538 5.818 1.00 52.14 H new ATOM 0 HG2 GLU A 96 7.639 9.846 5.348 1.00 43.32 H new ATOM 0 HG3 GLU A 96 6.450 10.470 6.474 1.00 43.32 H new ATOM 1512 N PRO A 97 3.054 9.193 6.005 1.00 74.30 N ATOM 1513 CA PRO A 97 2.138 10.142 6.614 1.00 41.23 C ATOM 1514 C PRO A 97 2.858 10.938 7.703 1.00 50.15 C ATOM 1515 O PRO A 97 3.037 12.157 7.583 1.00 24.33 O ATOM 1516 CB PRO A 97 1.029 9.280 7.240 1.00 24.02 C ATOM 1517 CG PRO A 97 1.474 7.865 7.115 1.00 12.31 C ATOM 1518 CD PRO A 97 2.555 7.813 6.073 1.00 45.32 C ATOM 0 HA PRO A 97 1.746 10.857 5.891 1.00 41.23 H new ATOM 0 HB2 PRO A 97 0.873 9.547 8.285 1.00 24.02 H new ATOM 0 HB3 PRO A 97 0.080 9.435 6.727 1.00 24.02 H new ATOM 0 HG2 PRO A 97 1.847 7.496 8.071 1.00 12.31 H new ATOM 0 HG3 PRO A 97 0.638 7.226 6.831 1.00 12.31 H new ATOM 0 HD2 PRO A 97 3.345 7.117 6.353 1.00 45.32 H new ATOM 0 HD3 PRO A 97 2.165 7.482 5.110 1.00 45.32 H new ATOM 1526 N ASN A 98 3.306 10.239 8.757 1.00 62.20 N ATOM 1527 CA ASN A 98 4.047 10.889 9.820 1.00 1.31 C ATOM 1528 C ASN A 98 4.715 9.893 10.771 1.00 51.22 C ATOM 1529 O ASN A 98 4.194 9.599 11.846 1.00 11.03 O ATOM 1530 CB ASN A 98 3.197 11.910 10.606 1.00 61.13 C ATOM 1531 CG ASN A 98 4.016 12.695 11.617 1.00 10.34 C ATOM 1532 OD1 ASN A 98 5.211 12.939 11.419 1.00 73.24 O ATOM 1533 ND2 ASN A 98 3.389 13.099 12.688 1.00 35.35 N ATOM 0 H ASN A 98 3.165 9.237 8.885 1.00 62.20 H new ATOM 0 HA ASN A 98 4.839 11.443 9.317 1.00 1.31 H new ATOM 0 HB2 ASN A 98 2.729 12.603 9.907 1.00 61.13 H new ATOM 0 HB3 ASN A 98 2.393 11.387 11.123 1.00 61.13 H new ATOM 0 HD21 ASN A 98 3.886 13.636 13.398 1.00 35.35 H new ATOM 0 HD22 ASN A 98 2.402 12.877 12.815 1.00 35.35 H new ATOM 1540 N SER A 99 5.822 9.323 10.300 1.00 20.53 N ATOM 1541 CA SER A 99 6.739 8.457 11.073 1.00 23.02 C ATOM 1542 C SER A 99 6.081 7.349 11.950 1.00 41.50 C ATOM 1543 O SER A 99 6.674 6.919 12.934 1.00 54.33 O ATOM 1544 CB SER A 99 7.645 9.351 11.911 1.00 2.35 C ATOM 1545 OG SER A 99 8.371 10.243 11.059 1.00 71.33 O ATOM 0 H SER A 99 6.125 9.450 9.334 1.00 20.53 H new ATOM 0 HA SER A 99 7.298 7.881 10.336 1.00 23.02 H new ATOM 0 HB2 SER A 99 7.050 9.920 12.625 1.00 2.35 H new ATOM 0 HB3 SER A 99 8.339 8.741 12.489 1.00 2.35 H new ATOM 0 HG SER A 99 8.331 9.918 10.135 1.00 71.33 H new ATOM 1551 N GLN A 100 4.915 6.858 11.578 1.00 2.04 N ATOM 1552 CA GLN A 100 4.299 5.795 12.361 1.00 11.54 C ATOM 1553 C GLN A 100 4.898 4.453 12.001 1.00 21.33 C ATOM 1554 O GLN A 100 5.309 3.679 12.873 1.00 34.23 O ATOM 1555 CB GLN A 100 2.788 5.734 12.154 1.00 32.03 C ATOM 1556 CG GLN A 100 2.047 6.981 12.565 1.00 55.13 C ATOM 1557 CD GLN A 100 2.283 7.354 14.021 1.00 15.13 C ATOM 1558 OE1 GLN A 100 2.521 6.495 14.872 1.00 3.13 O ATOM 1559 NE2 GLN A 100 2.216 8.626 14.316 1.00 61.24 N ATOM 0 H GLN A 100 4.384 7.164 10.763 1.00 2.04 H new ATOM 0 HA GLN A 100 4.496 6.022 13.409 1.00 11.54 H new ATOM 0 HB2 GLN A 100 2.586 5.538 11.101 1.00 32.03 H new ATOM 0 HB3 GLN A 100 2.391 4.889 12.717 1.00 32.03 H new ATOM 0 HG2 GLN A 100 2.357 7.809 11.928 1.00 55.13 H new ATOM 0 HG3 GLN A 100 0.979 6.835 12.401 1.00 55.13 H new ATOM 0 HE21 GLN A 100 2.017 9.309 13.585 1.00 61.24 H new ATOM 0 HE22 GLN A 100 2.363 8.935 15.277 1.00 61.24 H new ATOM 1568 N GLY A 101 4.929 4.168 10.713 1.00 12.40 N ATOM 1569 CA GLY A 101 5.465 2.910 10.224 1.00 12.55 C ATOM 1570 C GLY A 101 4.482 1.760 10.366 1.00 74.44 C ATOM 1571 O GLY A 101 4.606 0.732 9.696 1.00 4.11 O ATOM 0 H GLY A 101 4.588 4.793 9.983 1.00 12.40 H new ATOM 0 HA2 GLY A 101 5.740 3.020 9.175 1.00 12.55 H new ATOM 0 HA3 GLY A 101 6.378 2.672 10.770 1.00 12.55 H new ATOM 1575 N GLN A 102 3.500 1.933 11.215 1.00 14.12 N ATOM 1576 CA GLN A 102 2.542 0.905 11.476 1.00 14.42 C ATOM 1577 C GLN A 102 1.163 1.454 11.514 1.00 64.13 C ATOM 1578 O GLN A 102 0.984 2.650 11.722 1.00 61.33 O ATOM 1579 CB GLN A 102 2.919 0.094 12.760 1.00 3.23 C ATOM 1580 CG GLN A 102 3.200 0.900 14.062 1.00 53.45 C ATOM 1581 CD GLN A 102 1.978 1.411 14.852 1.00 3.44 C ATOM 1582 OE1 GLN A 102 0.919 1.693 14.323 1.00 5.43 O ATOM 1583 NE2 GLN A 102 2.146 1.527 16.136 1.00 33.41 N ATOM 0 H GLN A 102 3.348 2.793 11.741 1.00 14.12 H new ATOM 0 HA GLN A 102 2.564 0.194 10.650 1.00 14.42 H new ATOM 0 HB2 GLN A 102 2.109 -0.606 12.966 1.00 3.23 H new ATOM 0 HB3 GLN A 102 3.804 -0.500 12.535 1.00 3.23 H new ATOM 0 HG2 GLN A 102 3.793 0.272 14.727 1.00 53.45 H new ATOM 0 HG3 GLN A 102 3.817 1.760 13.801 1.00 53.45 H new ATOM 0 HE21 GLN A 102 3.043 1.285 16.557 1.00 33.41 H new ATOM 0 HE22 GLN A 102 1.381 1.860 16.722 1.00 33.41 H new ATOM 1592 N ARG A 103 0.205 0.601 11.275 1.00 11.35 N ATOM 1593 CA ARG A 103 -1.189 0.952 11.372 1.00 55.23 C ATOM 1594 C ARG A 103 -1.783 0.267 12.594 1.00 73.01 C ATOM 1595 O ARG A 103 -2.577 0.855 13.330 1.00 53.54 O ATOM 1596 CB ARG A 103 -1.934 0.523 10.097 1.00 65.24 C ATOM 1597 CG ARG A 103 -3.438 0.809 10.098 1.00 53.20 C ATOM 1598 CD ARG A 103 -3.733 2.291 10.287 1.00 61.30 C ATOM 1599 NE ARG A 103 -5.165 2.574 10.218 1.00 11.13 N ATOM 1600 CZ ARG A 103 -5.722 3.774 10.421 1.00 1.15 C ATOM 1601 NH1 ARG A 103 -4.967 4.826 10.768 1.00 2.03 N ATOM 1602 NH2 ARG A 103 -7.040 3.922 10.300 1.00 65.32 N ATOM 0 H ARG A 103 0.370 -0.368 11.004 1.00 11.35 H new ATOM 0 HA ARG A 103 -1.292 2.032 11.476 1.00 55.23 H new ATOM 0 HB2 ARG A 103 -1.484 1.030 9.244 1.00 65.24 H new ATOM 0 HB3 ARG A 103 -1.783 -0.546 9.949 1.00 65.24 H new ATOM 0 HG2 ARG A 103 -3.873 0.469 9.158 1.00 53.20 H new ATOM 0 HG3 ARG A 103 -3.916 0.239 10.895 1.00 53.20 H new ATOM 0 HD2 ARG A 103 -3.344 2.619 11.251 1.00 61.30 H new ATOM 0 HD3 ARG A 103 -3.212 2.866 9.521 1.00 61.30 H new ATOM 0 HE ARG A 103 -5.788 1.797 9.998 1.00 11.13 H new ATOM 0 HH11 ARG A 103 -3.959 4.716 10.879 1.00 2.03 H new ATOM 0 HH12 ARG A 103 -5.400 5.737 10.921 1.00 2.03 H new ATOM 0 HH21 ARG A 103 -7.623 3.122 10.053 1.00 65.32 H new ATOM 0 HH22 ARG A 103 -7.467 4.835 10.454 1.00 65.32 H new ATOM 1616 N ASN A 104 -1.387 -0.974 12.793 1.00 71.24 N ATOM 1617 CA ASN A 104 -1.840 -1.780 13.915 1.00 52.55 C ATOM 1618 C ASN A 104 -0.893 -2.960 14.058 1.00 22.33 C ATOM 1619 O ASN A 104 -0.338 -3.424 13.064 1.00 43.01 O ATOM 1620 CB ASN A 104 -3.287 -2.272 13.680 1.00 14.24 C ATOM 1621 CG ASN A 104 -3.837 -3.084 14.842 1.00 54.55 C ATOM 1622 OD1 ASN A 104 -3.466 -2.875 16.000 1.00 1.44 O ATOM 1623 ND2 ASN A 104 -4.716 -4.006 14.554 1.00 22.21 N ATOM 0 H ASN A 104 -0.735 -1.459 12.176 1.00 71.24 H new ATOM 0 HA ASN A 104 -1.839 -1.185 14.828 1.00 52.55 H new ATOM 0 HB2 ASN A 104 -3.933 -1.412 13.508 1.00 14.24 H new ATOM 0 HB3 ASN A 104 -3.316 -2.879 12.775 1.00 14.24 H new ATOM 0 HD21 ASN A 104 -5.117 -4.578 15.297 1.00 22.21 H new ATOM 0 HD22 ASN A 104 -5.002 -4.154 13.586 1.00 22.21 H new ATOM 1630 N ARG A 105 -0.665 -3.406 15.267 1.00 41.43 N ATOM 1631 CA ARG A 105 0.235 -4.529 15.519 1.00 13.23 C ATOM 1632 C ARG A 105 -0.406 -5.837 15.051 1.00 74.42 C ATOM 1633 O ARG A 105 0.194 -6.608 14.294 1.00 62.43 O ATOM 1634 CB ARG A 105 0.537 -4.592 16.996 1.00 53.12 C ATOM 1635 CG ARG A 105 1.610 -5.574 17.392 1.00 72.10 C ATOM 1636 CD ARG A 105 1.826 -5.471 18.868 1.00 53.32 C ATOM 1637 NE ARG A 105 2.941 -6.278 19.364 1.00 43.40 N ATOM 1638 CZ ARG A 105 3.210 -6.461 20.661 1.00 44.21 C ATOM 1639 NH1 ARG A 105 2.325 -6.114 21.587 1.00 61.24 N ATOM 1640 NH2 ARG A 105 4.334 -7.045 21.024 1.00 2.40 N ATOM 0 H ARG A 105 -1.089 -3.012 16.107 1.00 41.43 H new ATOM 0 HA ARG A 105 1.162 -4.387 14.963 1.00 13.23 H new ATOM 0 HB2 ARG A 105 0.834 -3.599 17.332 1.00 53.12 H new ATOM 0 HB3 ARG A 105 -0.380 -4.847 17.527 1.00 53.12 H new ATOM 0 HG2 ARG A 105 1.314 -6.588 17.122 1.00 72.10 H new ATOM 0 HG3 ARG A 105 2.536 -5.360 16.858 1.00 72.10 H new ATOM 0 HD2 ARG A 105 2.003 -4.427 19.127 1.00 53.32 H new ATOM 0 HD3 ARG A 105 0.914 -5.776 19.381 1.00 53.32 H new ATOM 0 HE ARG A 105 3.549 -6.728 18.680 1.00 43.40 H new ATOM 0 HH11 ARG A 105 1.432 -5.705 21.311 1.00 61.24 H new ATOM 0 HH12 ARG A 105 2.537 -6.257 22.574 1.00 61.24 H new ATOM 0 HH21 ARG A 105 4.998 -7.357 20.316 1.00 2.40 H new ATOM 0 HH22 ARG A 105 4.540 -7.185 22.013 1.00 2.40 H new ATOM 1654 N GLU A 106 -1.628 -6.050 15.492 1.00 62.21 N ATOM 1655 CA GLU A 106 -2.421 -7.204 15.140 1.00 72.23 C ATOM 1656 C GLU A 106 -3.831 -6.852 15.610 1.00 14.40 C ATOM 1657 O GLU A 106 -3.978 -6.001 16.504 1.00 64.40 O ATOM 1658 CB GLU A 106 -1.900 -8.466 15.893 1.00 32.23 C ATOM 1659 CG GLU A 106 -2.233 -9.841 15.245 1.00 53.01 C ATOM 1660 CD GLU A 106 -3.702 -10.091 14.990 1.00 35.32 C ATOM 1661 OE1 GLU A 106 -4.435 -10.497 15.930 1.00 65.40 O ATOM 1662 OE2 GLU A 106 -4.156 -9.867 13.850 1.00 74.21 O ATOM 0 H GLU A 106 -2.108 -5.407 16.122 1.00 62.21 H new ATOM 0 HA GLU A 106 -2.380 -7.431 14.075 1.00 72.23 H new ATOM 0 HB2 GLU A 106 -0.817 -8.385 15.987 1.00 32.23 H new ATOM 0 HB3 GLU A 106 -2.310 -8.455 16.903 1.00 32.23 H new ATOM 0 HG2 GLU A 106 -1.698 -9.918 14.299 1.00 53.01 H new ATOM 0 HG3 GLU A 106 -1.853 -10.632 15.892 1.00 53.01 H new ATOM 1669 N LYS A 107 -4.837 -7.465 15.023 1.00 73.23 N ATOM 1670 CA LYS A 107 -6.235 -7.204 15.342 1.00 25.35 C ATOM 1671 C LYS A 107 -6.490 -7.356 16.845 1.00 54.34 C ATOM 1672 O LYS A 107 -7.171 -6.521 17.450 1.00 15.32 O ATOM 1673 CB LYS A 107 -7.148 -8.153 14.546 1.00 33.52 C ATOM 1674 CG LYS A 107 -8.673 -7.953 14.705 1.00 40.32 C ATOM 1675 CD LYS A 107 -9.260 -6.754 13.911 1.00 10.15 C ATOM 1676 CE LYS A 107 -8.774 -5.377 14.362 1.00 53.15 C ATOM 1677 NZ LYS A 107 -9.414 -4.293 13.585 1.00 3.22 N ATOM 0 H LYS A 107 -4.710 -8.171 14.298 1.00 73.23 H new ATOM 0 HA LYS A 107 -6.464 -6.176 15.061 1.00 25.35 H new ATOM 0 HB2 LYS A 107 -6.901 -8.054 13.489 1.00 33.52 H new ATOM 0 HB3 LYS A 107 -6.908 -9.176 14.835 1.00 33.52 H new ATOM 0 HG2 LYS A 107 -9.180 -8.864 14.387 1.00 40.32 H new ATOM 0 HG3 LYS A 107 -8.899 -7.816 15.762 1.00 40.32 H new ATOM 0 HD2 LYS A 107 -9.014 -6.881 12.857 1.00 10.15 H new ATOM 0 HD3 LYS A 107 -10.347 -6.783 13.991 1.00 10.15 H new ATOM 0 HE2 LYS A 107 -8.991 -5.243 15.422 1.00 53.15 H new ATOM 0 HE3 LYS A 107 -7.692 -5.317 14.248 1.00 53.15 H new ATOM 0 HZ1 LYS A 107 -9.061 -3.373 13.917 1.00 3.22 H new ATOM 0 HZ2 LYS A 107 -9.186 -4.407 12.577 1.00 3.22 H new ATOM 0 HZ3 LYS A 107 -10.445 -4.336 13.714 1.00 3.22 H new ATOM 1691 N THR A 108 -5.939 -8.398 17.439 1.00 0.30 N ATOM 1692 CA THR A 108 -6.084 -8.596 18.865 1.00 64.13 C ATOM 1693 C THR A 108 -4.986 -9.508 19.429 1.00 63.51 C ATOM 1694 O THR A 108 -4.649 -9.424 20.613 1.00 22.20 O ATOM 1695 CB THR A 108 -7.510 -9.130 19.246 1.00 51.35 C ATOM 1696 OG1 THR A 108 -7.665 -9.204 20.673 1.00 30.11 O ATOM 1697 CG2 THR A 108 -7.771 -10.501 18.639 1.00 13.01 C ATOM 0 H THR A 108 -5.392 -9.113 16.960 1.00 0.30 H new ATOM 0 HA THR A 108 -5.970 -7.615 19.327 1.00 64.13 H new ATOM 0 HB THR A 108 -8.235 -8.424 18.841 1.00 51.35 H new ATOM 0 HG1 THR A 108 -8.561 -9.538 20.888 1.00 30.11 H new ATOM 0 HG21 THR A 108 -8.767 -10.841 18.923 1.00 13.01 H new ATOM 0 HG22 THR A 108 -7.705 -10.437 17.553 1.00 13.01 H new ATOM 0 HG23 THR A 108 -7.028 -11.209 19.006 1.00 13.01 H new ATOM 1705 N GLY A 109 -4.403 -10.337 18.583 1.00 11.53 N ATOM 1706 CA GLY A 109 -3.412 -11.270 19.029 1.00 52.13 C ATOM 1707 C GLY A 109 -2.042 -10.664 19.124 1.00 45.12 C ATOM 1708 O GLY A 109 -1.194 -10.891 18.256 1.00 63.43 O ATOM 0 H GLY A 109 -4.606 -10.375 17.584 1.00 11.53 H new ATOM 0 HA2 GLY A 109 -3.700 -11.660 20.005 1.00 52.13 H new ATOM 0 HA3 GLY A 109 -3.383 -12.117 18.344 1.00 52.13 H new ATOM 1712 N GLU A 110 -1.835 -9.873 20.155 1.00 22.13 N ATOM 1713 CA GLU A 110 -0.540 -9.278 20.442 1.00 33.11 C ATOM 1714 C GLU A 110 0.537 -10.363 20.523 1.00 2.03 C ATOM 1715 O GLU A 110 0.331 -11.407 21.149 1.00 22.23 O ATOM 1716 CB GLU A 110 -0.602 -8.508 21.766 1.00 63.21 C ATOM 1717 CG GLU A 110 -1.544 -7.315 21.762 1.00 75.23 C ATOM 1718 CD GLU A 110 -1.120 -6.248 20.788 1.00 54.34 C ATOM 1719 OE1 GLU A 110 -0.277 -5.393 21.159 1.00 42.14 O ATOM 1720 OE2 GLU A 110 -1.609 -6.241 19.646 1.00 53.30 O ATOM 0 H GLU A 110 -2.563 -9.621 20.824 1.00 22.13 H new ATOM 0 HA GLU A 110 -0.285 -8.589 19.637 1.00 33.11 H new ATOM 0 HB2 GLU A 110 -0.909 -9.194 22.556 1.00 63.21 H new ATOM 0 HB3 GLU A 110 0.401 -8.162 22.017 1.00 63.21 H new ATOM 0 HG2 GLU A 110 -2.550 -7.652 21.512 1.00 75.23 H new ATOM 0 HG3 GLU A 110 -1.590 -6.890 22.764 1.00 75.23 H new ATOM 1727 N SER A 111 1.656 -10.124 19.856 1.00 15.41 N ATOM 1728 CA SER A 111 2.778 -11.051 19.850 1.00 52.54 C ATOM 1729 C SER A 111 3.316 -11.228 21.271 1.00 35.04 C ATOM 1730 O SER A 111 3.609 -12.347 21.714 1.00 61.30 O ATOM 1731 CB SER A 111 3.871 -10.531 18.904 1.00 54.30 C ATOM 1732 OG SER A 111 5.001 -11.388 18.858 1.00 72.51 O ATOM 0 H SER A 111 1.812 -9.281 19.303 1.00 15.41 H new ATOM 0 HA SER A 111 2.447 -12.025 19.490 1.00 52.54 H new ATOM 0 HB2 SER A 111 3.458 -10.424 17.901 1.00 54.30 H new ATOM 0 HB3 SER A 111 4.185 -9.538 19.227 1.00 54.30 H new ATOM 0 HG SER A 111 5.668 -11.017 18.243 1.00 72.51 H new ATOM 1738 N ASN A 112 3.435 -10.139 21.976 1.00 21.32 N ATOM 1739 CA ASN A 112 3.850 -10.176 23.348 1.00 40.00 C ATOM 1740 C ASN A 112 2.674 -9.772 24.160 1.00 54.33 C ATOM 1741 O ASN A 112 2.199 -8.637 24.054 1.00 12.24 O ATOM 1742 CB ASN A 112 5.036 -9.242 23.614 1.00 22.31 C ATOM 1743 CG ASN A 112 6.243 -9.570 22.761 1.00 64.12 C ATOM 1744 OD1 ASN A 112 6.402 -9.033 21.659 1.00 74.20 O ATOM 1745 ND2 ASN A 112 7.088 -10.445 23.243 1.00 71.42 N ATOM 0 H ASN A 112 3.247 -9.203 21.616 1.00 21.32 H new ATOM 0 HA ASN A 112 4.190 -11.178 23.609 1.00 40.00 H new ATOM 0 HB2 ASN A 112 4.732 -8.213 23.425 1.00 22.31 H new ATOM 0 HB3 ASN A 112 5.313 -9.304 24.666 1.00 22.31 H new ATOM 0 HD21 ASN A 112 7.914 -10.706 22.705 1.00 71.42 H new ATOM 0 HD22 ASN A 112 6.921 -10.866 24.157 1.00 71.42 H new ATOM 1752 N CYS A 113 2.172 -10.692 24.916 1.00 14.43 N ATOM 1753 CA CYS A 113 0.995 -10.485 25.687 1.00 54.14 C ATOM 1754 C CYS A 113 1.080 -11.329 26.922 1.00 23.21 C ATOM 1755 O CYS A 113 1.781 -12.348 26.931 1.00 61.14 O ATOM 1756 CB CYS A 113 -0.229 -10.906 24.851 1.00 52.34 C ATOM 1757 SG CYS A 113 -1.833 -10.748 25.682 1.00 20.33 S ATOM 0 H CYS A 113 2.576 -11.623 25.016 1.00 14.43 H new ATOM 0 HA CYS A 113 0.899 -9.436 25.965 1.00 54.14 H new ATOM 0 HB2 CYS A 113 -0.250 -10.306 23.941 1.00 52.34 H new ATOM 0 HB3 CYS A 113 -0.099 -11.944 24.545 1.00 52.34 H new ATOM 0 HG CYS A 113 -2.779 -11.130 24.876 1.00 20.33 H new ATOM 1763 N CYS A 114 0.405 -10.917 27.959 1.00 54.41 N ATOM 1764 CA CYS A 114 0.354 -11.687 29.160 1.00 20.45 C ATOM 1765 C CYS A 114 -0.620 -12.847 28.956 1.00 41.20 C ATOM 1766 O CYS A 114 -1.843 -12.681 29.053 1.00 12.40 O ATOM 1767 CB CYS A 114 -0.060 -10.806 30.335 1.00 45.13 C ATOM 1768 SG CYS A 114 1.029 -9.379 30.593 1.00 60.13 S ATOM 0 H CYS A 114 -0.120 -10.043 27.991 1.00 54.41 H new ATOM 0 HA CYS A 114 1.340 -12.091 29.391 1.00 20.45 H new ATOM 0 HB2 CYS A 114 -1.077 -10.451 30.171 1.00 45.13 H new ATOM 0 HB3 CYS A 114 -0.075 -11.409 31.243 1.00 45.13 H new ATOM 0 HG CYS A 114 0.603 -8.686 31.607 1.00 60.13 H new ATOM 1774 N VAL A 115 -0.082 -13.988 28.598 1.00 23.32 N ATOM 1775 CA VAL A 115 -0.879 -15.165 28.322 1.00 4.30 C ATOM 1776 C VAL A 115 -0.574 -16.262 29.316 1.00 42.00 C ATOM 1777 O VAL A 115 0.483 -16.244 29.979 1.00 62.34 O ATOM 1778 CB VAL A 115 -0.659 -15.697 26.867 1.00 71.22 C ATOM 1779 CG1 VAL A 115 -1.110 -14.668 25.840 1.00 71.30 C ATOM 1780 CG2 VAL A 115 0.807 -16.074 26.632 1.00 2.11 C ATOM 0 H VAL A 115 0.922 -14.130 28.489 1.00 23.32 H new ATOM 0 HA VAL A 115 -1.924 -14.869 28.417 1.00 4.30 H new ATOM 0 HB VAL A 115 -1.266 -16.595 26.748 1.00 71.22 H new ATOM 0 HG11 VAL A 115 -0.947 -15.060 24.836 1.00 71.30 H new ATOM 0 HG12 VAL A 115 -2.170 -14.455 25.979 1.00 71.30 H new ATOM 0 HG13 VAL A 115 -0.536 -13.750 25.968 1.00 71.30 H new ATOM 0 HG21 VAL A 115 0.930 -16.440 25.613 1.00 2.11 H new ATOM 0 HG22 VAL A 115 1.437 -15.197 26.781 1.00 2.11 H new ATOM 0 HG23 VAL A 115 1.099 -16.854 27.335 1.00 2.11 H new ATOM 1790 N ILE A 116 -1.477 -17.205 29.433 1.00 71.32 N ATOM 1791 CA ILE A 116 -1.289 -18.313 30.331 1.00 24.34 C ATOM 1792 C ILE A 116 -0.511 -19.397 29.614 1.00 40.14 C ATOM 1793 O ILE A 116 -1.063 -20.198 28.839 1.00 33.01 O ATOM 1794 CB ILE A 116 -2.629 -18.887 30.943 1.00 41.42 C ATOM 1795 CG1 ILE A 116 -3.381 -17.835 31.809 1.00 24.14 C ATOM 1796 CG2 ILE A 116 -2.352 -20.132 31.786 1.00 64.23 C ATOM 1797 CD1 ILE A 116 -3.958 -16.649 31.055 1.00 12.42 C ATOM 0 H ILE A 116 -2.354 -17.225 28.913 1.00 71.32 H new ATOM 0 HA ILE A 116 -0.728 -17.941 31.188 1.00 24.34 H new ATOM 0 HB ILE A 116 -3.267 -19.150 30.100 1.00 41.42 H new ATOM 0 HG12 ILE A 116 -4.193 -18.338 32.334 1.00 24.14 H new ATOM 0 HG13 ILE A 116 -2.695 -17.460 32.568 1.00 24.14 H new ATOM 0 HG21 ILE A 116 -3.289 -20.509 32.197 1.00 64.23 H new ATOM 0 HG22 ILE A 116 -1.894 -20.900 31.162 1.00 64.23 H new ATOM 0 HG23 ILE A 116 -1.675 -19.876 32.601 1.00 64.23 H new ATOM 0 HD11 ILE A 116 -4.459 -15.981 31.756 1.00 12.42 H new ATOM 0 HD12 ILE A 116 -3.154 -16.111 30.553 1.00 12.42 H new ATOM 0 HD13 ILE A 116 -4.676 -17.003 30.315 1.00 12.42 H new ATOM 1809 N LEU A 117 0.762 -19.379 29.831 1.00 3.42 N ATOM 1810 CA LEU A 117 1.677 -20.281 29.208 1.00 53.44 C ATOM 1811 C LEU A 117 2.889 -20.377 30.099 1.00 75.54 C ATOM 1812 O LEU A 117 2.943 -21.294 30.941 1.00 37.64 O ATOM 1813 CB LEU A 117 2.069 -19.769 27.801 1.00 54.43 C ATOM 1814 CG LEU A 117 3.037 -20.647 26.988 1.00 2.24 C ATOM 1815 CD1 LEU A 117 2.436 -22.011 26.706 1.00 22.22 C ATOM 1816 CD2 LEU A 117 3.420 -19.955 25.692 1.00 24.03 C ATOM 1817 OXT LEU A 117 3.769 -19.506 29.996 1.00 37.64 O ATOM 0 H LEU A 117 1.209 -18.717 30.465 1.00 3.42 H new ATOM 0 HA LEU A 117 1.222 -21.263 29.079 1.00 53.44 H new ATOM 0 HB2 LEU A 117 1.156 -19.641 27.219 1.00 54.43 H new ATOM 0 HB3 LEU A 117 2.517 -18.782 27.911 1.00 54.43 H new ATOM 0 HG LEU A 117 3.938 -20.795 27.584 1.00 2.24 H new ATOM 0 HD11 LEU A 117 3.143 -22.608 26.130 1.00 22.22 H new ATOM 0 HD12 LEU A 117 2.218 -22.514 27.648 1.00 22.22 H new ATOM 0 HD13 LEU A 117 1.514 -21.892 26.137 1.00 22.22 H new ATOM 0 HD21 LEU A 117 4.105 -20.589 25.129 1.00 24.03 H new ATOM 0 HD22 LEU A 117 2.524 -19.772 25.099 1.00 24.03 H new ATOM 0 HD23 LEU A 117 3.906 -19.006 25.916 1.00 24.03 H new TER 1829 LEU A 117