USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 35 SER OG : rot 170:sc= 0.0943 USER MOD Set 1.2: A 186 APR O1D : rot 180:sc= -0.879 USER MOD Set 2.1: A 79 TYR OH : rot -84:sc= 2.39 USER MOD Set 2.2: A 106 HIS : no HE2:sc= 0.97 K(o=4,f=-5.4!) USER MOD Set 2.3: A 107 CYS SG : rot 62:sc= 0.679! USER MOD Set 3.1: A 93 TYR OH : rot -164:sc= 1.95 USER MOD Set 3.2: A 128 GLN : amide:sc= 0.597 K(o=2.5,f=-2.3) USER MOD Set 4.1: A 84 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.16) USER MOD Set 4.2: A 92 THR OG1 : rot 180:sc= 0.122 USER MOD Set 4.3: A 95 ASN : amide:sc= -1.35 K(o=-0.012,f=-4.1!) USER MOD Set 5.1: A 77 TYR OH : rot 180:sc= -0.154 USER MOD Set 5.2: A 110 ASN :FLIP amide:sc= 1.13 F(o=-1,f=0.98) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.523 K(o=-0.52,f=-3.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.235 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 165:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc=-0.00391 (180deg=-0.0879) USER MOD Single : A 24 CYS SG : rot -162:sc= 0.433 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 29 SER OG : rot -175:sc= 0.701 USER MOD Single : A 32 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.6) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.71 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -134:sc=-0.000686 (180deg=-0.163) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= -0.186 (180deg=-1.26) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.3!) USER MOD Single : A 61 GLN : amide:sc= 0.441 X(o=0.44,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= 1.12 (180deg=0.0388!) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0262 (180deg=-0.262) USER MOD Single : A 65 SER OG : rot -81:sc= 0.948 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -35:sc= 0.285 USER MOD Single : A 89 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.068) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -0.0285 (180deg=-0.263) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.12) USER MOD Single : A 99 SER OG : rot 104:sc= 0.789 USER MOD Single : A 103 MET CE :methyl -132:sc= -0.763 (180deg=-1.68) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 35:sc= 1.22 USER MOD Single : A 117 MET CE :methyl 168:sc= -2.12 (180deg=-2.51!) USER MOD Single : A 122 CYS SG : rot -3:sc= -3.99! USER MOD Single : A 131 ASN :FLIP amide:sc= -0.729 F(o=-5.7!,f=-0.73) USER MOD Single : A 133 SER OG : rot -71:sc= 0.762 USER MOD Single : A 135 MET CE :methyl 169:sc= -0.377 (180deg=-0.494) USER MOD Single : A 143 THR OG1 : rot -58:sc= 1.19 USER MOD Single : A 146 LYS NZ :NH3+ -170:sc= 1.1 (180deg=1.02) USER MOD Single : A 148 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -171:sc= 0.976 USER MOD Single : A 186 APR O2' : rot -137:sc= 0.342 USER MOD Single : A 186 APR O2D : rot -138:sc= -0.829 USER MOD Single : A 186 APR O3' : rot -171:sc= 0.393 USER MOD Single : A 186 APR O3D : rot -65:sc= -0.272 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -10.100 22.787 -19.164 1.00 25.03 N ATOM 2 CA SER A 3 -11.252 22.604 -18.349 1.00 71.51 C ATOM 3 C SER A 3 -11.014 21.432 -17.418 1.00 65.23 C ATOM 4 O SER A 3 -11.074 20.266 -17.832 1.00 73.11 O ATOM 5 CB SER A 3 -12.488 22.371 -19.233 1.00 53.11 C ATOM 6 OG SER A 3 -13.688 22.268 -18.471 1.00 22.11 O ATOM 0 HA SER A 3 -11.434 23.497 -17.751 1.00 71.51 H new ATOM 0 HB2 SER A 3 -12.582 23.191 -19.945 1.00 53.11 H new ATOM 0 HB3 SER A 3 -12.350 21.459 -19.813 1.00 53.11 H new ATOM 0 HG SER A 3 -14.447 22.122 -19.074 1.00 22.11 H new ATOM 12 N SER A 4 -10.683 21.736 -16.197 1.00 2.01 N ATOM 13 CA SER A 4 -10.443 20.732 -15.212 1.00 3.21 C ATOM 14 C SER A 4 -11.662 20.576 -14.327 1.00 1.40 C ATOM 15 O SER A 4 -11.912 21.399 -13.439 1.00 3.50 O ATOM 16 CB SER A 4 -9.216 21.088 -14.379 1.00 43.31 C ATOM 17 OG SER A 4 -8.051 21.190 -15.199 1.00 74.42 O ATOM 0 H SER A 4 -10.572 22.692 -15.859 1.00 2.01 H new ATOM 0 HA SER A 4 -10.251 19.783 -15.713 1.00 3.21 H new ATOM 0 HB2 SER A 4 -9.385 22.033 -13.862 1.00 43.31 H new ATOM 0 HB3 SER A 4 -9.060 20.329 -13.613 1.00 43.31 H new ATOM 0 HG SER A 4 -7.278 21.421 -14.642 1.00 74.42 H new ATOM 23 N LEU A 5 -12.439 19.554 -14.598 1.00 71.25 N ATOM 24 CA LEU A 5 -13.627 19.288 -13.831 1.00 62.54 C ATOM 25 C LEU A 5 -13.224 18.694 -12.497 1.00 44.21 C ATOM 26 O LEU A 5 -12.724 17.567 -12.435 1.00 42.00 O ATOM 27 CB LEU A 5 -14.607 18.336 -14.576 1.00 3.11 C ATOM 28 CG LEU A 5 -15.227 18.829 -15.916 1.00 65.41 C ATOM 29 CD1 LEU A 5 -14.189 18.979 -17.020 1.00 63.13 C ATOM 30 CD2 LEU A 5 -16.345 17.907 -16.362 1.00 4.33 C ATOM 0 H LEU A 5 -12.265 18.889 -15.352 1.00 71.25 H new ATOM 0 HA LEU A 5 -14.157 20.228 -13.680 1.00 62.54 H new ATOM 0 HB2 LEU A 5 -14.080 17.403 -14.775 1.00 3.11 H new ATOM 0 HB3 LEU A 5 -15.426 18.100 -13.896 1.00 3.11 H new ATOM 0 HG LEU A 5 -15.638 19.820 -15.726 1.00 65.41 H new ATOM 0 HD11 LEU A 5 -14.675 19.325 -17.932 1.00 63.13 H new ATOM 0 HD12 LEU A 5 -13.434 19.703 -16.714 1.00 63.13 H new ATOM 0 HD13 LEU A 5 -13.713 18.016 -17.206 1.00 63.13 H new ATOM 0 HD21 LEU A 5 -16.764 18.270 -17.300 1.00 4.33 H new ATOM 0 HD22 LEU A 5 -15.951 16.901 -16.506 1.00 4.33 H new ATOM 0 HD23 LEU A 5 -17.125 17.886 -15.601 1.00 4.33 H new ATOM 38 N ASN A 6 -13.394 19.455 -11.446 1.00 31.34 N ATOM 39 CA ASN A 6 -13.006 19.001 -10.129 1.00 4.30 C ATOM 40 C ASN A 6 -14.061 18.071 -9.588 1.00 34.02 C ATOM 41 O ASN A 6 -15.179 18.494 -9.264 1.00 4.05 O ATOM 42 CB ASN A 6 -12.754 20.200 -9.174 1.00 45.44 C ATOM 43 CG ASN A 6 -12.283 19.810 -7.752 1.00 24.12 C ATOM 44 OD1 ASN A 6 -12.644 18.767 -7.209 1.00 12.12 O ATOM 45 ND2 ASN A 6 -11.470 20.645 -7.157 1.00 45.12 N ATOM 0 H ASN A 6 -13.798 20.391 -11.473 1.00 31.34 H new ATOM 0 HA ASN A 6 -12.066 18.454 -10.203 1.00 4.30 H new ATOM 0 HB2 ASN A 6 -12.005 20.853 -9.623 1.00 45.44 H new ATOM 0 HB3 ASN A 6 -13.673 20.779 -9.091 1.00 45.44 H new ATOM 0 HD21 ASN A 6 -11.121 20.437 -6.221 1.00 45.12 H new ATOM 0 HD22 ASN A 6 -11.186 21.503 -7.629 1.00 45.12 H new ATOM 51 N GLU A 7 -13.729 16.815 -9.535 1.00 14.12 N ATOM 52 CA GLU A 7 -14.601 15.815 -9.010 1.00 34.44 C ATOM 53 C GLU A 7 -13.702 14.868 -8.211 1.00 71.24 C ATOM 54 O GLU A 7 -12.488 14.793 -8.480 1.00 63.50 O ATOM 55 CB GLU A 7 -15.308 15.084 -10.175 1.00 34.32 C ATOM 56 CG GLU A 7 -16.746 14.615 -9.880 1.00 43.02 C ATOM 57 CD GLU A 7 -16.873 13.661 -8.724 1.00 43.23 C ATOM 58 OE1 GLU A 7 -16.944 14.126 -7.558 1.00 63.23 O ATOM 59 OE2 GLU A 7 -16.924 12.438 -8.959 1.00 13.43 O ATOM 0 H GLU A 7 -12.832 16.455 -9.860 1.00 14.12 H new ATOM 0 HA GLU A 7 -15.385 16.228 -8.376 1.00 34.44 H new ATOM 0 HB2 GLU A 7 -15.330 15.748 -11.039 1.00 34.32 H new ATOM 0 HB3 GLU A 7 -14.710 14.216 -10.454 1.00 34.32 H new ATOM 0 HG2 GLU A 7 -17.365 15.490 -9.681 1.00 43.02 H new ATOM 0 HG3 GLU A 7 -17.148 14.137 -10.773 1.00 43.02 H new ATOM 66 N ASP A 8 -14.248 14.184 -7.250 1.00 31.31 N ATOM 67 CA ASP A 8 -13.453 13.330 -6.388 1.00 34.21 C ATOM 68 C ASP A 8 -13.955 11.912 -6.443 1.00 71.20 C ATOM 69 O ASP A 8 -15.116 11.678 -6.750 1.00 74.43 O ATOM 70 CB ASP A 8 -13.516 13.800 -4.922 1.00 21.32 C ATOM 71 CG ASP A 8 -12.988 15.181 -4.691 1.00 3.21 C ATOM 72 OD1 ASP A 8 -11.759 15.372 -4.734 1.00 72.41 O ATOM 73 OD2 ASP A 8 -13.800 16.101 -4.407 1.00 71.40 O ATOM 0 H ASP A 8 -15.245 14.194 -7.035 1.00 31.31 H new ATOM 0 HA ASP A 8 -12.425 13.384 -6.746 1.00 34.21 H new ATOM 0 HB2 ASP A 8 -14.552 13.759 -4.585 1.00 21.32 H new ATOM 0 HB3 ASP A 8 -12.952 13.101 -4.305 1.00 21.32 H new ATOM 78 N PRO A 9 -13.089 10.930 -6.183 1.00 73.53 N ATOM 79 CA PRO A 9 -13.514 9.546 -6.054 1.00 4.14 C ATOM 80 C PRO A 9 -14.462 9.407 -4.871 1.00 4.15 C ATOM 81 O PRO A 9 -14.234 10.017 -3.808 1.00 63.43 O ATOM 82 CB PRO A 9 -12.218 8.786 -5.771 1.00 43.23 C ATOM 83 CG PRO A 9 -11.132 9.690 -6.233 1.00 30.32 C ATOM 84 CD PRO A 9 -11.635 11.075 -6.017 1.00 40.31 C ATOM 0 HA PRO A 9 -14.037 9.178 -6.937 1.00 4.14 H new ATOM 0 HB2 PRO A 9 -12.118 8.559 -4.710 1.00 43.23 H new ATOM 0 HB3 PRO A 9 -12.194 7.836 -6.304 1.00 43.23 H new ATOM 0 HG2 PRO A 9 -10.214 9.516 -5.672 1.00 30.32 H new ATOM 0 HG3 PRO A 9 -10.901 9.518 -7.284 1.00 30.32 H new ATOM 0 HD2 PRO A 9 -11.377 11.448 -5.026 1.00 40.31 H new ATOM 0 HD3 PRO A 9 -11.214 11.774 -6.740 1.00 40.31 H new ATOM 92 N GLU A 10 -15.515 8.637 -5.053 1.00 4.40 N ATOM 93 CA GLU A 10 -16.518 8.442 -4.013 1.00 22.32 C ATOM 94 C GLU A 10 -15.917 7.748 -2.832 1.00 32.11 C ATOM 95 O GLU A 10 -16.147 8.120 -1.689 1.00 52.23 O ATOM 96 CB GLU A 10 -17.668 7.605 -4.538 1.00 1.24 C ATOM 97 CG GLU A 10 -18.396 8.211 -5.702 1.00 62.52 C ATOM 98 CD GLU A 10 -19.451 7.296 -6.225 1.00 34.14 C ATOM 99 OE1 GLU A 10 -19.143 6.475 -7.108 1.00 32.24 O ATOM 100 OE2 GLU A 10 -20.611 7.372 -5.765 1.00 12.40 O ATOM 0 H GLU A 10 -15.704 8.130 -5.918 1.00 4.40 H new ATOM 0 HA GLU A 10 -16.886 9.423 -3.713 1.00 22.32 H new ATOM 0 HB2 GLU A 10 -17.285 6.628 -4.833 1.00 1.24 H new ATOM 0 HB3 GLU A 10 -18.378 7.437 -3.728 1.00 1.24 H new ATOM 0 HG2 GLU A 10 -18.850 9.154 -5.397 1.00 62.52 H new ATOM 0 HG3 GLU A 10 -17.686 8.441 -6.497 1.00 62.52 H new ATOM 107 N GLY A 11 -15.141 6.750 -3.118 1.00 34.22 N ATOM 108 CA GLY A 11 -14.558 5.960 -2.090 1.00 10.40 C ATOM 109 C GLY A 11 -15.492 4.855 -1.676 1.00 71.24 C ATOM 110 O GLY A 11 -16.694 4.900 -1.983 1.00 40.11 O ATOM 0 H GLY A 11 -14.897 6.464 -4.066 1.00 34.22 H new ATOM 0 HA2 GLY A 11 -13.617 5.536 -2.440 1.00 10.40 H new ATOM 0 HA3 GLY A 11 -14.325 6.588 -1.230 1.00 10.40 H new ATOM 114 N SER A 12 -14.959 3.892 -0.999 1.00 44.51 N ATOM 115 CA SER A 12 -15.680 2.744 -0.526 1.00 33.51 C ATOM 116 C SER A 12 -14.659 1.937 0.245 1.00 51.10 C ATOM 117 O SER A 12 -13.619 2.505 0.646 1.00 25.13 O ATOM 118 CB SER A 12 -16.218 1.933 -1.740 1.00 50.14 C ATOM 119 OG SER A 12 -17.073 0.872 -1.326 1.00 43.13 O ATOM 0 H SER A 12 -13.971 3.878 -0.747 1.00 44.51 H new ATOM 0 HA SER A 12 -16.538 3.007 0.093 1.00 33.51 H new ATOM 0 HB2 SER A 12 -16.762 2.599 -2.410 1.00 50.14 H new ATOM 0 HB3 SER A 12 -15.380 1.526 -2.306 1.00 50.14 H new ATOM 0 HG SER A 12 -17.394 0.385 -2.113 1.00 43.13 H new ATOM 125 N ARG A 13 -14.934 0.662 0.476 1.00 71.41 N ATOM 126 CA ARG A 13 -13.964 -0.221 1.089 1.00 21.01 C ATOM 127 C ARG A 13 -12.715 -0.217 0.223 1.00 43.22 C ATOM 128 O ARG A 13 -11.646 0.226 0.654 1.00 13.02 O ATOM 129 CB ARG A 13 -14.512 -1.647 1.195 1.00 72.30 C ATOM 130 CG ARG A 13 -15.654 -1.855 2.180 1.00 10.23 C ATOM 131 CD ARG A 13 -16.177 -3.276 2.056 1.00 35.53 C ATOM 132 NE ARG A 13 -17.119 -3.661 3.113 1.00 72.31 N ATOM 133 CZ ARG A 13 -18.028 -4.640 2.992 1.00 34.12 C ATOM 134 NH1 ARG A 13 -18.223 -5.241 1.817 1.00 13.03 N ATOM 135 NH2 ARG A 13 -18.733 -5.025 4.045 1.00 62.14 N ATOM 0 H ARG A 13 -15.824 0.219 0.246 1.00 71.41 H new ATOM 0 HA ARG A 13 -13.739 0.127 2.097 1.00 21.01 H new ATOM 0 HB2 ARG A 13 -14.850 -1.959 0.207 1.00 72.30 H new ATOM 0 HB3 ARG A 13 -13.693 -2.309 1.475 1.00 72.30 H new ATOM 0 HG2 ARG A 13 -15.309 -1.671 3.197 1.00 10.23 H new ATOM 0 HG3 ARG A 13 -16.455 -1.143 1.981 1.00 10.23 H new ATOM 0 HD2 ARG A 13 -16.667 -3.389 1.089 1.00 35.53 H new ATOM 0 HD3 ARG A 13 -15.333 -3.965 2.068 1.00 35.53 H new ATOM 0 HE ARG A 13 -17.080 -3.152 3.996 1.00 72.31 H new ATOM 0 HH11 ARG A 13 -17.679 -4.957 1.002 1.00 13.03 H new ATOM 0 HH12 ARG A 13 -18.916 -5.985 1.733 1.00 13.03 H new ATOM 0 HH21 ARG A 13 -18.585 -4.577 4.949 1.00 62.14 H new ATOM 0 HH22 ARG A 13 -19.424 -5.770 3.952 1.00 62.14 H new ATOM 147 N ILE A 14 -12.871 -0.682 -1.008 1.00 62.55 N ATOM 148 CA ILE A 14 -11.808 -0.679 -1.986 1.00 12.13 C ATOM 149 C ILE A 14 -12.343 -0.274 -3.346 1.00 23.41 C ATOM 150 O ILE A 14 -13.189 -0.955 -3.921 1.00 24.52 O ATOM 151 CB ILE A 14 -11.088 -2.053 -2.113 1.00 44.10 C ATOM 152 CG1 ILE A 14 -10.370 -2.410 -0.809 1.00 4.53 C ATOM 153 CG2 ILE A 14 -10.103 -2.047 -3.288 1.00 41.02 C ATOM 154 CD1 ILE A 14 -9.603 -3.699 -0.878 1.00 15.34 C ATOM 0 H ILE A 14 -13.748 -1.074 -1.353 1.00 62.55 H new ATOM 0 HA ILE A 14 -11.074 0.045 -1.633 1.00 12.13 H new ATOM 0 HB ILE A 14 -11.844 -2.814 -2.308 1.00 44.10 H new ATOM 0 HG12 ILE A 14 -9.685 -1.603 -0.549 1.00 4.53 H new ATOM 0 HG13 ILE A 14 -11.104 -2.476 -0.006 1.00 4.53 H new ATOM 0 HG21 ILE A 14 -9.612 -3.018 -3.356 1.00 41.02 H new ATOM 0 HG22 ILE A 14 -10.642 -1.847 -4.214 1.00 41.02 H new ATOM 0 HG23 ILE A 14 -9.353 -1.272 -3.130 1.00 41.02 H new ATOM 0 HD11 ILE A 14 -9.121 -3.887 0.081 1.00 15.34 H new ATOM 0 HD12 ILE A 14 -10.286 -4.517 -1.107 1.00 15.34 H new ATOM 0 HD13 ILE A 14 -8.845 -3.630 -1.658 1.00 15.34 H new ATOM 161 N THR A 15 -11.865 0.818 -3.839 1.00 32.15 N ATOM 162 CA THR A 15 -12.217 1.274 -5.151 1.00 2.22 C ATOM 163 C THR A 15 -11.277 0.607 -6.157 1.00 52.20 C ATOM 164 O THR A 15 -10.064 0.808 -6.117 1.00 13.31 O ATOM 165 CB THR A 15 -12.128 2.823 -5.237 1.00 34.34 C ATOM 166 OG1 THR A 15 -13.058 3.406 -4.295 1.00 40.00 O ATOM 167 CG2 THR A 15 -12.449 3.329 -6.645 1.00 44.20 C ATOM 0 H THR A 15 -11.214 1.427 -3.344 1.00 32.15 H new ATOM 0 HA THR A 15 -13.248 1.001 -5.379 1.00 2.22 H new ATOM 0 HB THR A 15 -11.107 3.118 -4.997 1.00 34.34 H new ATOM 0 HG1 THR A 15 -13.004 4.383 -4.344 1.00 40.00 H new ATOM 0 HG21 THR A 15 -12.377 4.416 -6.666 1.00 44.20 H new ATOM 0 HG22 THR A 15 -11.739 2.904 -7.355 1.00 44.20 H new ATOM 0 HG23 THR A 15 -13.460 3.027 -6.918 1.00 44.20 H new ATOM 173 N TYR A 16 -11.828 -0.214 -7.013 1.00 35.04 N ATOM 174 CA TYR A 16 -11.045 -0.955 -7.942 1.00 65.44 C ATOM 175 C TYR A 16 -11.045 -0.215 -9.276 1.00 20.23 C ATOM 176 O TYR A 16 -12.091 -0.079 -9.911 1.00 42.41 O ATOM 177 CB TYR A 16 -11.689 -2.329 -8.099 1.00 20.41 C ATOM 178 CG TYR A 16 -10.730 -3.420 -8.433 1.00 13.43 C ATOM 179 CD1 TYR A 16 -10.100 -4.086 -7.413 1.00 31.35 C ATOM 180 CD2 TYR A 16 -10.453 -3.786 -9.730 1.00 71.21 C ATOM 181 CE1 TYR A 16 -9.200 -5.100 -7.655 1.00 34.43 C ATOM 182 CE2 TYR A 16 -9.556 -4.806 -10.003 1.00 52.04 C ATOM 183 CZ TYR A 16 -8.928 -5.464 -8.954 1.00 12.32 C ATOM 184 OH TYR A 16 -8.022 -6.488 -9.213 1.00 24.21 O ATOM 0 H TYR A 16 -12.832 -0.381 -7.078 1.00 35.04 H new ATOM 0 HA TYR A 16 -10.016 -1.066 -7.599 1.00 65.44 H new ATOM 0 HB2 TYR A 16 -12.204 -2.584 -7.173 1.00 20.41 H new ATOM 0 HB3 TYR A 16 -12.447 -2.275 -8.880 1.00 20.41 H new ATOM 0 HD1 TYR A 16 -10.316 -3.808 -6.392 1.00 31.35 H new ATOM 0 HD2 TYR A 16 -10.941 -3.272 -10.545 1.00 71.21 H new ATOM 0 HE1 TYR A 16 -8.713 -5.604 -6.834 1.00 34.43 H new ATOM 0 HE2 TYR A 16 -9.347 -5.087 -11.025 1.00 52.04 H new ATOM 0 HH TYR A 16 -8.117 -6.781 -10.143 1.00 24.21 H new ATOM 194 N VAL A 17 -9.900 0.275 -9.686 1.00 5.23 N ATOM 195 CA VAL A 17 -9.807 1.025 -10.922 1.00 2.00 C ATOM 196 C VAL A 17 -8.661 0.513 -11.786 1.00 34.41 C ATOM 197 O VAL A 17 -7.608 0.131 -11.280 1.00 71.21 O ATOM 198 CB VAL A 17 -9.674 2.556 -10.655 1.00 42.45 C ATOM 199 CG1 VAL A 17 -8.420 2.885 -9.885 1.00 40.15 C ATOM 200 CG2 VAL A 17 -9.770 3.373 -11.939 1.00 23.00 C ATOM 0 H VAL A 17 -9.018 0.170 -9.184 1.00 5.23 H new ATOM 0 HA VAL A 17 -10.736 0.871 -11.471 1.00 2.00 H new ATOM 0 HB VAL A 17 -10.522 2.838 -10.031 1.00 42.45 H new ATOM 0 HG11 VAL A 17 -8.366 3.961 -9.720 1.00 40.15 H new ATOM 0 HG12 VAL A 17 -8.438 2.371 -8.924 1.00 40.15 H new ATOM 0 HG13 VAL A 17 -7.548 2.561 -10.454 1.00 40.15 H new ATOM 0 HG21 VAL A 17 -9.672 4.433 -11.704 1.00 23.00 H new ATOM 0 HG22 VAL A 17 -8.971 3.077 -12.619 1.00 23.00 H new ATOM 0 HG23 VAL A 17 -10.735 3.194 -12.413 1.00 23.00 H new ATOM 206 N LYS A 18 -8.880 0.483 -13.065 1.00 1.35 N ATOM 207 CA LYS A 18 -7.889 0.012 -13.994 1.00 31.44 C ATOM 208 C LYS A 18 -6.961 1.167 -14.404 1.00 4.34 C ATOM 209 O LYS A 18 -7.423 2.240 -14.812 1.00 73.42 O ATOM 210 CB LYS A 18 -8.585 -0.617 -15.211 1.00 63.32 C ATOM 211 CG LYS A 18 -7.653 -1.244 -16.237 1.00 24.11 C ATOM 212 CD LYS A 18 -8.433 -1.964 -17.340 1.00 73.30 C ATOM 213 CE LYS A 18 -9.295 -1.018 -18.167 1.00 12.54 C ATOM 214 NZ LYS A 18 -8.491 -0.019 -18.900 1.00 12.11 N ATOM 0 H LYS A 18 -9.752 0.785 -13.499 1.00 1.35 H new ATOM 0 HA LYS A 18 -7.273 -0.754 -13.522 1.00 31.44 H new ATOM 0 HB2 LYS A 18 -9.278 -1.381 -14.859 1.00 63.32 H new ATOM 0 HB3 LYS A 18 -9.181 0.150 -15.706 1.00 63.32 H new ATOM 0 HG2 LYS A 18 -7.025 -0.471 -16.680 1.00 24.11 H new ATOM 0 HG3 LYS A 18 -6.987 -1.950 -15.741 1.00 24.11 H new ATOM 0 HD2 LYS A 18 -7.732 -2.478 -17.998 1.00 73.30 H new ATOM 0 HD3 LYS A 18 -9.068 -2.728 -16.891 1.00 73.30 H new ATOM 0 HE2 LYS A 18 -9.886 -1.596 -18.877 1.00 12.54 H new ATOM 0 HE3 LYS A 18 -9.998 -0.504 -17.511 1.00 12.54 H new ATOM 0 HZ1 LYS A 18 -9.102 0.500 -19.562 1.00 12.11 H new ATOM 0 HZ2 LYS A 18 -8.067 0.648 -18.225 1.00 12.11 H new ATOM 0 HZ3 LYS A 18 -7.737 -0.501 -19.430 1.00 12.11 H new ATOM 228 N GLY A 19 -5.674 0.957 -14.276 1.00 73.53 N ATOM 229 CA GLY A 19 -4.715 1.977 -14.631 1.00 71.51 C ATOM 230 C GLY A 19 -3.424 1.855 -13.845 1.00 63.43 C ATOM 231 O GLY A 19 -3.359 1.108 -12.878 1.00 61.01 O ATOM 0 H GLY A 19 -5.265 0.089 -13.929 1.00 73.53 H new ATOM 0 HA2 GLY A 19 -4.496 1.911 -15.697 1.00 71.51 H new ATOM 0 HA3 GLY A 19 -5.152 2.960 -14.456 1.00 71.51 H new ATOM 235 N ASP A 20 -2.408 2.586 -14.276 1.00 41.03 N ATOM 236 CA ASP A 20 -1.087 2.589 -13.635 1.00 70.23 C ATOM 237 C ASP A 20 -1.102 3.447 -12.374 1.00 54.32 C ATOM 238 O ASP A 20 -1.631 4.555 -12.379 1.00 2.14 O ATOM 239 CB ASP A 20 -0.032 3.114 -14.615 1.00 23.54 C ATOM 240 CG ASP A 20 1.369 3.113 -14.038 1.00 32.41 C ATOM 241 OD1 ASP A 20 2.041 2.065 -14.094 1.00 24.23 O ATOM 242 OD2 ASP A 20 1.834 4.170 -13.549 1.00 52.54 O ATOM 0 H ASP A 20 -2.470 3.202 -15.087 1.00 41.03 H new ATOM 0 HA ASP A 20 -0.837 1.566 -13.353 1.00 70.23 H new ATOM 0 HB2 ASP A 20 -0.047 2.503 -15.517 1.00 23.54 H new ATOM 0 HB3 ASP A 20 -0.295 4.129 -14.913 1.00 23.54 H new ATOM 247 N LEU A 21 -0.501 2.941 -11.318 1.00 12.14 N ATOM 248 CA LEU A 21 -0.512 3.587 -10.007 1.00 53.51 C ATOM 249 C LEU A 21 0.317 4.883 -9.973 1.00 53.42 C ATOM 250 O LEU A 21 -0.099 5.891 -9.388 1.00 34.04 O ATOM 251 CB LEU A 21 0.035 2.601 -8.967 1.00 31.34 C ATOM 252 CG LEU A 21 0.045 3.051 -7.508 1.00 41.12 C ATOM 253 CD1 LEU A 21 -1.367 3.266 -6.996 1.00 70.44 C ATOM 254 CD2 LEU A 21 0.773 2.036 -6.652 1.00 12.33 C ATOM 0 H LEU A 21 0.016 2.062 -11.338 1.00 12.14 H new ATOM 0 HA LEU A 21 -1.542 3.864 -9.782 1.00 53.51 H new ATOM 0 HB2 LEU A 21 -0.550 1.684 -9.032 1.00 31.34 H new ATOM 0 HB3 LEU A 21 1.057 2.348 -9.248 1.00 31.34 H new ATOM 0 HG LEU A 21 0.573 4.003 -7.447 1.00 41.12 H new ATOM 0 HD11 LEU A 21 -1.332 3.586 -5.955 1.00 70.44 H new ATOM 0 HD12 LEU A 21 -1.858 4.033 -7.595 1.00 70.44 H new ATOM 0 HD13 LEU A 21 -1.927 2.334 -7.070 1.00 70.44 H new ATOM 0 HD21 LEU A 21 0.773 2.369 -5.614 1.00 12.33 H new ATOM 0 HD22 LEU A 21 0.270 1.072 -6.724 1.00 12.33 H new ATOM 0 HD23 LEU A 21 1.801 1.936 -7.001 1.00 12.33 H new ATOM 262 N PHE A 22 1.466 4.865 -10.613 1.00 51.35 N ATOM 263 CA PHE A 22 2.409 5.981 -10.520 1.00 70.21 C ATOM 264 C PHE A 22 2.018 7.169 -11.375 1.00 21.23 C ATOM 265 O PHE A 22 2.549 8.260 -11.198 1.00 31.04 O ATOM 266 CB PHE A 22 3.826 5.537 -10.853 1.00 31.24 C ATOM 267 CG PHE A 22 4.386 4.529 -9.909 1.00 60.11 C ATOM 268 CD1 PHE A 22 4.198 3.172 -10.122 1.00 24.02 C ATOM 269 CD2 PHE A 22 5.103 4.935 -8.801 1.00 24.40 C ATOM 270 CE1 PHE A 22 4.713 2.250 -9.251 1.00 54.21 C ATOM 271 CE2 PHE A 22 5.622 4.015 -7.927 1.00 14.43 C ATOM 272 CZ PHE A 22 5.426 2.669 -8.152 1.00 20.12 C ATOM 0 H PHE A 22 1.778 4.095 -11.205 1.00 51.35 H new ATOM 0 HA PHE A 22 2.374 6.312 -9.482 1.00 70.21 H new ATOM 0 HB2 PHE A 22 3.838 5.121 -11.860 1.00 31.24 H new ATOM 0 HB3 PHE A 22 4.477 6.411 -10.862 1.00 31.24 H new ATOM 0 HD1 PHE A 22 3.639 2.839 -10.984 1.00 24.02 H new ATOM 0 HD2 PHE A 22 5.257 5.989 -8.621 1.00 24.40 H new ATOM 0 HE1 PHE A 22 4.560 1.195 -9.426 1.00 54.21 H new ATOM 0 HE2 PHE A 22 6.183 4.344 -7.065 1.00 14.43 H new ATOM 0 HZ PHE A 22 5.833 1.943 -7.464 1.00 20.12 H new ATOM 282 N ALA A 23 1.112 6.966 -12.292 1.00 73.01 N ATOM 283 CA ALA A 23 0.687 8.035 -13.177 1.00 33.14 C ATOM 284 C ALA A 23 -0.554 8.734 -12.639 1.00 43.24 C ATOM 285 O ALA A 23 -1.135 9.576 -13.313 1.00 42.02 O ATOM 286 CB ALA A 23 0.410 7.476 -14.568 1.00 23.45 C ATOM 0 H ALA A 23 0.649 6.072 -12.452 1.00 73.01 H new ATOM 0 HA ALA A 23 1.490 8.770 -13.235 1.00 33.14 H new ATOM 0 HB1 ALA A 23 0.091 8.283 -15.228 1.00 23.45 H new ATOM 0 HB2 ALA A 23 1.317 7.020 -14.964 1.00 23.45 H new ATOM 0 HB3 ALA A 23 -0.377 6.724 -14.508 1.00 23.45 H new ATOM 292 N CYS A 24 -0.927 8.420 -11.424 1.00 31.13 N ATOM 293 CA CYS A 24 -2.171 8.915 -10.870 1.00 44.54 C ATOM 294 C CYS A 24 -1.982 9.821 -9.621 1.00 60.41 C ATOM 295 O CYS A 24 -0.919 9.795 -8.992 1.00 34.24 O ATOM 296 CB CYS A 24 -3.073 7.719 -10.585 1.00 71.34 C ATOM 297 SG CYS A 24 -3.488 6.791 -12.079 1.00 34.33 S ATOM 0 H CYS A 24 -0.389 7.823 -10.795 1.00 31.13 H new ATOM 0 HA CYS A 24 -2.640 9.570 -11.604 1.00 44.54 H new ATOM 0 HB2 CYS A 24 -2.578 7.056 -9.876 1.00 71.34 H new ATOM 0 HB3 CYS A 24 -3.991 8.066 -10.110 1.00 71.34 H new ATOM 0 HG CYS A 24 -4.532 6.049 -11.853 1.00 34.33 H new ATOM 303 N PRO A 25 -3.050 10.652 -9.304 1.00 4.14 N ATOM 304 CA PRO A 25 -3.151 11.605 -8.184 1.00 41.31 C ATOM 305 C PRO A 25 -2.146 11.514 -7.009 1.00 73.40 C ATOM 306 O PRO A 25 -1.910 10.462 -6.411 1.00 11.13 O ATOM 307 CB PRO A 25 -4.569 11.348 -7.721 1.00 62.44 C ATOM 308 CG PRO A 25 -5.329 11.152 -9.008 1.00 45.42 C ATOM 309 CD PRO A 25 -4.312 10.745 -10.070 1.00 35.30 C ATOM 0 HA PRO A 25 -2.900 12.607 -8.533 1.00 41.31 H new ATOM 0 HB2 PRO A 25 -4.629 10.468 -7.081 1.00 62.44 H new ATOM 0 HB3 PRO A 25 -4.962 12.187 -7.146 1.00 62.44 H new ATOM 0 HG2 PRO A 25 -6.093 10.383 -8.891 1.00 45.42 H new ATOM 0 HG3 PRO A 25 -5.842 12.070 -9.297 1.00 45.42 H new ATOM 0 HD2 PRO A 25 -4.573 9.794 -10.535 1.00 35.30 H new ATOM 0 HD3 PRO A 25 -4.246 11.483 -10.869 1.00 35.30 H new ATOM 317 N LYS A 26 -1.625 12.690 -6.674 1.00 62.11 N ATOM 318 CA LYS A 26 -0.655 12.929 -5.595 1.00 10.40 C ATOM 319 C LYS A 26 -1.335 12.905 -4.216 1.00 75.23 C ATOM 320 O LYS A 26 -0.684 12.824 -3.179 1.00 2.34 O ATOM 321 CB LYS A 26 -0.082 14.327 -5.807 1.00 5.14 C ATOM 322 CG LYS A 26 0.911 14.784 -4.764 1.00 35.42 C ATOM 323 CD LYS A 26 1.311 16.243 -4.955 1.00 34.41 C ATOM 324 CE LYS A 26 0.087 17.160 -4.826 1.00 34.15 C ATOM 325 NZ LYS A 26 0.436 18.595 -4.830 1.00 70.45 N ATOM 0 H LYS A 26 -1.875 13.547 -7.167 1.00 62.11 H new ATOM 0 HA LYS A 26 0.109 12.152 -5.620 1.00 10.40 H new ATOM 0 HB2 LYS A 26 0.401 14.359 -6.783 1.00 5.14 H new ATOM 0 HB3 LYS A 26 -0.907 15.039 -5.836 1.00 5.14 H new ATOM 0 HG2 LYS A 26 0.480 14.653 -3.771 1.00 35.42 H new ATOM 0 HG3 LYS A 26 1.800 14.155 -4.810 1.00 35.42 H new ATOM 0 HD2 LYS A 26 2.060 16.521 -4.213 1.00 34.41 H new ATOM 0 HD3 LYS A 26 1.769 16.375 -5.935 1.00 34.41 H new ATOM 0 HE2 LYS A 26 -0.600 16.957 -5.647 1.00 34.15 H new ATOM 0 HE3 LYS A 26 -0.441 16.923 -3.903 1.00 34.15 H new ATOM 0 HZ1 LYS A 26 -0.430 19.163 -4.740 1.00 70.45 H new ATOM 0 HZ2 LYS A 26 1.069 18.801 -4.031 1.00 70.45 H new ATOM 0 HZ3 LYS A 26 0.915 18.833 -5.722 1.00 70.45 H new ATOM 339 N THR A 27 -2.614 12.946 -4.225 1.00 35.53 N ATOM 340 CA THR A 27 -3.383 13.081 -3.015 1.00 12.35 C ATOM 341 C THR A 27 -3.484 11.778 -2.222 1.00 12.40 C ATOM 342 O THR A 27 -3.648 11.799 -0.995 1.00 71.24 O ATOM 343 CB THR A 27 -4.771 13.632 -3.368 1.00 74.12 C ATOM 344 OG1 THR A 27 -5.232 12.988 -4.579 1.00 63.33 O ATOM 345 CG2 THR A 27 -4.721 15.140 -3.577 1.00 22.10 C ATOM 0 H THR A 27 -3.177 12.887 -5.074 1.00 35.53 H new ATOM 0 HA THR A 27 -2.864 13.779 -2.359 1.00 12.35 H new ATOM 0 HB THR A 27 -5.455 13.426 -2.545 1.00 74.12 H new ATOM 0 HG1 THR A 27 -6.119 13.331 -4.814 1.00 63.33 H new ATOM 0 HG21 THR A 27 -5.717 15.506 -3.826 1.00 22.10 H new ATOM 0 HG22 THR A 27 -4.375 15.623 -2.663 1.00 22.10 H new ATOM 0 HG23 THR A 27 -4.035 15.372 -4.392 1.00 22.10 H new ATOM 351 N ASP A 28 -3.338 10.663 -2.891 1.00 72.01 N ATOM 352 CA ASP A 28 -3.401 9.379 -2.220 1.00 61.01 C ATOM 353 C ASP A 28 -2.006 8.913 -1.872 1.00 1.31 C ATOM 354 O ASP A 28 -1.075 9.085 -2.661 1.00 73.00 O ATOM 355 CB ASP A 28 -4.073 8.315 -3.103 1.00 40.11 C ATOM 356 CG ASP A 28 -5.485 8.658 -3.510 1.00 24.14 C ATOM 357 OD1 ASP A 28 -6.429 8.404 -2.733 1.00 43.41 O ATOM 358 OD2 ASP A 28 -5.683 9.164 -4.634 1.00 21.22 O ATOM 0 H ASP A 28 -3.175 10.612 -3.897 1.00 72.01 H new ATOM 0 HA ASP A 28 -3.995 9.508 -1.315 1.00 61.01 H new ATOM 0 HB2 ASP A 28 -3.472 8.170 -4.001 1.00 40.11 H new ATOM 0 HB3 ASP A 28 -4.081 7.365 -2.568 1.00 40.11 H new ATOM 363 N SER A 29 -1.845 8.355 -0.696 1.00 74.33 N ATOM 364 CA SER A 29 -0.576 7.771 -0.296 1.00 53.45 C ATOM 365 C SER A 29 -0.400 6.410 -1.000 1.00 71.13 C ATOM 366 O SER A 29 -1.329 5.933 -1.631 1.00 3.14 O ATOM 367 CB SER A 29 -0.523 7.625 1.228 1.00 63.42 C ATOM 368 OG SER A 29 -0.527 8.901 1.867 1.00 0.24 O ATOM 0 H SER A 29 -2.579 8.290 0.009 1.00 74.33 H new ATOM 0 HA SER A 29 0.245 8.423 -0.594 1.00 53.45 H new ATOM 0 HB2 SER A 29 -1.377 7.041 1.570 1.00 63.42 H new ATOM 0 HB3 SER A 29 0.374 7.075 1.513 1.00 63.42 H new ATOM 0 HG SER A 29 -0.414 8.783 2.833 1.00 0.24 H new ATOM 374 N LEU A 30 0.761 5.792 -0.878 1.00 31.51 N ATOM 375 CA LEU A 30 1.045 4.555 -1.614 1.00 25.42 C ATOM 376 C LEU A 30 1.416 3.425 -0.676 1.00 34.11 C ATOM 377 O LEU A 30 2.140 3.627 0.284 1.00 0.03 O ATOM 378 CB LEU A 30 2.179 4.797 -2.618 1.00 21.21 C ATOM 379 CG LEU A 30 1.886 5.833 -3.709 1.00 3.43 C ATOM 380 CD1 LEU A 30 3.163 6.258 -4.421 1.00 13.10 C ATOM 381 CD2 LEU A 30 0.966 5.215 -4.718 1.00 44.43 C ATOM 0 H LEU A 30 1.523 6.117 -0.283 1.00 31.51 H new ATOM 0 HA LEU A 30 0.140 4.263 -2.148 1.00 25.42 H new ATOM 0 HB2 LEU A 30 3.065 5.115 -2.069 1.00 21.21 H new ATOM 0 HB3 LEU A 30 2.424 3.849 -3.098 1.00 21.21 H new ATOM 0 HG LEU A 30 1.435 6.710 -3.244 1.00 3.43 H new ATOM 0 HD11 LEU A 30 2.924 6.993 -5.189 1.00 13.10 H new ATOM 0 HD12 LEU A 30 3.852 6.698 -3.700 1.00 13.10 H new ATOM 0 HD13 LEU A 30 3.628 5.388 -4.884 1.00 13.10 H new ATOM 0 HD21 LEU A 30 0.747 5.939 -5.502 1.00 44.43 H new ATOM 0 HD22 LEU A 30 1.443 4.338 -5.157 1.00 44.43 H new ATOM 0 HD23 LEU A 30 0.038 4.917 -4.230 1.00 44.43 H new ATOM 389 N ALA A 31 0.922 2.241 -0.953 1.00 21.35 N ATOM 390 CA ALA A 31 1.229 1.072 -0.148 1.00 72.51 C ATOM 391 C ALA A 31 1.564 -0.107 -1.038 1.00 54.13 C ATOM 392 O ALA A 31 1.101 -0.181 -2.172 1.00 40.12 O ATOM 393 CB ALA A 31 0.065 0.722 0.762 1.00 2.40 C ATOM 0 H ALA A 31 0.298 2.057 -1.739 1.00 21.35 H new ATOM 0 HA ALA A 31 2.094 1.305 0.472 1.00 72.51 H new ATOM 0 HB1 ALA A 31 0.318 -0.157 1.355 1.00 2.40 H new ATOM 0 HB2 ALA A 31 -0.142 1.561 1.426 1.00 2.40 H new ATOM 0 HB3 ALA A 31 -0.818 0.510 0.159 1.00 2.40 H new ATOM 399 N HIS A 32 2.401 -0.999 -0.537 1.00 21.51 N ATOM 400 CA HIS A 32 2.796 -2.213 -1.247 1.00 12.12 C ATOM 401 C HIS A 32 3.562 -3.117 -0.315 1.00 40.12 C ATOM 402 O HIS A 32 3.983 -2.685 0.752 1.00 1.10 O ATOM 403 CB HIS A 32 3.636 -1.912 -2.506 1.00 24.31 C ATOM 404 CG HIS A 32 4.916 -1.175 -2.248 1.00 61.21 C ATOM 405 ND1 HIS A 32 6.167 -1.744 -2.410 1.00 60.32 N ATOM 406 CD2 HIS A 32 5.136 0.116 -1.906 1.00 72.45 C ATOM 407 CE1 HIS A 32 7.079 -0.845 -2.189 1.00 21.33 C ATOM 408 NE2 HIS A 32 6.485 0.295 -1.881 1.00 24.34 N ATOM 0 H HIS A 32 2.832 -0.904 0.383 1.00 21.51 H new ATOM 0 HA HIS A 32 1.886 -2.709 -1.583 1.00 12.12 H new ATOM 0 HB2 HIS A 32 3.869 -2.853 -3.003 1.00 24.31 H new ATOM 0 HB3 HIS A 32 3.030 -1.328 -3.198 1.00 24.31 H new ATOM 0 HD2 HIS A 32 4.384 0.862 -1.693 1.00 72.45 H new ATOM 0 HE1 HIS A 32 8.146 -1.003 -2.247 1.00 21.33 H new ATOM 0 HE2 HIS A 32 6.962 1.169 -1.660 1.00 24.34 H new ATOM 417 N CYS A 33 3.774 -4.328 -0.725 1.00 45.51 N ATOM 418 CA CYS A 33 4.443 -5.298 0.100 1.00 62.15 C ATOM 419 C CYS A 33 5.896 -5.470 -0.331 1.00 1.34 C ATOM 420 O CYS A 33 6.237 -5.228 -1.509 1.00 14.52 O ATOM 421 CB CYS A 33 3.730 -6.637 -0.033 1.00 32.45 C ATOM 422 SG CYS A 33 1.961 -6.577 0.295 1.00 32.24 S ATOM 0 H CYS A 33 3.490 -4.677 -1.640 1.00 45.51 H new ATOM 0 HA CYS A 33 4.422 -4.950 1.133 1.00 62.15 H new ATOM 0 HB2 CYS A 33 3.887 -7.019 -1.042 1.00 32.45 H new ATOM 0 HB3 CYS A 33 4.190 -7.349 0.653 1.00 32.45 H new ATOM 0 HG CYS A 33 1.453 -7.765 0.152 1.00 32.24 H new ATOM 428 N ILE A 34 6.744 -5.831 0.633 1.00 11.54 N ATOM 429 CA ILE A 34 8.135 -6.237 0.413 1.00 2.51 C ATOM 430 C ILE A 34 8.504 -7.226 1.504 1.00 51.43 C ATOM 431 O ILE A 34 7.717 -7.457 2.416 1.00 23.15 O ATOM 432 CB ILE A 34 9.187 -5.076 0.409 1.00 35.24 C ATOM 433 CG1 ILE A 34 9.149 -4.260 1.702 1.00 53.51 C ATOM 434 CG2 ILE A 34 9.058 -4.184 -0.825 1.00 20.45 C ATOM 435 CD1 ILE A 34 10.235 -3.210 1.772 1.00 4.30 C ATOM 0 H ILE A 34 6.476 -5.850 1.617 1.00 11.54 H new ATOM 0 HA ILE A 34 8.175 -6.662 -0.590 1.00 2.51 H new ATOM 0 HB ILE A 34 10.168 -5.549 0.358 1.00 35.24 H new ATOM 0 HG12 ILE A 34 8.177 -3.775 1.790 1.00 53.51 H new ATOM 0 HG13 ILE A 34 9.248 -4.934 2.553 1.00 53.51 H new ATOM 0 HG21 ILE A 34 9.808 -3.394 -0.783 1.00 20.45 H new ATOM 0 HG22 ILE A 34 9.211 -4.782 -1.724 1.00 20.45 H new ATOM 0 HG23 ILE A 34 8.063 -3.739 -0.850 1.00 20.45 H new ATOM 0 HD11 ILE A 34 10.154 -2.665 2.713 1.00 4.30 H new ATOM 0 HD12 ILE A 34 11.211 -3.692 1.714 1.00 4.30 H new ATOM 0 HD13 ILE A 34 10.123 -2.515 0.940 1.00 4.30 H new ATOM 442 N SER A 35 9.651 -7.808 1.421 1.00 65.31 N ATOM 443 CA SER A 35 10.082 -8.761 2.410 1.00 3.14 C ATOM 444 C SER A 35 10.857 -8.045 3.549 1.00 65.01 C ATOM 445 O SER A 35 11.183 -6.857 3.420 1.00 21.34 O ATOM 446 CB SER A 35 10.958 -9.792 1.709 1.00 61.21 C ATOM 447 OG SER A 35 11.977 -9.141 0.958 1.00 54.10 O ATOM 0 H SER A 35 10.322 -7.644 0.671 1.00 65.31 H new ATOM 0 HA SER A 35 9.225 -9.255 2.868 1.00 3.14 H new ATOM 0 HB2 SER A 35 11.408 -10.459 2.445 1.00 61.21 H new ATOM 0 HB3 SER A 35 10.349 -10.410 1.050 1.00 61.21 H new ATOM 0 HG SER A 35 12.627 -9.804 0.645 1.00 54.10 H new ATOM 453 N GLU A 36 11.160 -8.776 4.643 1.00 23.55 N ATOM 454 CA GLU A 36 11.903 -8.221 5.802 1.00 42.11 C ATOM 455 C GLU A 36 13.298 -7.808 5.356 1.00 22.34 C ATOM 456 O GLU A 36 13.847 -6.813 5.813 1.00 3.03 O ATOM 457 CB GLU A 36 12.047 -9.262 6.939 1.00 35.43 C ATOM 458 CG GLU A 36 10.746 -9.905 7.415 1.00 23.35 C ATOM 459 CD GLU A 36 10.946 -10.867 8.579 1.00 4.04 C ATOM 460 OE1 GLU A 36 11.876 -11.692 8.537 1.00 71.22 O ATOM 461 OE2 GLU A 36 10.191 -10.785 9.571 1.00 11.40 O ATOM 0 H GLU A 36 10.901 -9.757 4.751 1.00 23.55 H new ATOM 0 HA GLU A 36 11.341 -7.366 6.177 1.00 42.11 H new ATOM 0 HB2 GLU A 36 12.719 -10.051 6.602 1.00 35.43 H new ATOM 0 HB3 GLU A 36 12.525 -8.779 7.791 1.00 35.43 H new ATOM 0 HG2 GLU A 36 10.049 -9.122 7.714 1.00 23.35 H new ATOM 0 HG3 GLU A 36 10.287 -10.440 6.584 1.00 23.35 H new ATOM 468 N ASP A 37 13.845 -8.593 4.438 1.00 31.13 N ATOM 469 CA ASP A 37 15.189 -8.383 3.887 1.00 32.04 C ATOM 470 C ASP A 37 15.189 -7.168 2.954 1.00 45.23 C ATOM 471 O ASP A 37 16.240 -6.600 2.640 1.00 43.02 O ATOM 472 CB ASP A 37 15.601 -9.647 3.111 1.00 33.31 C ATOM 473 CG ASP A 37 17.025 -9.641 2.605 1.00 10.04 C ATOM 474 OD1 ASP A 37 17.268 -9.168 1.490 1.00 25.02 O ATOM 475 OD2 ASP A 37 17.910 -10.158 3.313 1.00 2.11 O ATOM 0 H ASP A 37 13.367 -9.405 4.046 1.00 31.13 H new ATOM 0 HA ASP A 37 15.898 -8.196 4.694 1.00 32.04 H new ATOM 0 HB2 ASP A 37 15.463 -10.514 3.757 1.00 33.31 H new ATOM 0 HB3 ASP A 37 14.929 -9.771 2.262 1.00 33.31 H new ATOM 480 N CYS A 38 13.982 -6.768 2.555 1.00 22.24 N ATOM 481 CA CYS A 38 13.741 -5.679 1.625 1.00 74.03 C ATOM 482 C CYS A 38 14.257 -6.006 0.240 1.00 52.54 C ATOM 483 O CYS A 38 15.336 -5.574 -0.176 1.00 44.43 O ATOM 484 CB CYS A 38 14.247 -4.324 2.143 1.00 61.31 C ATOM 485 SG CYS A 38 13.470 -3.815 3.694 1.00 31.13 S ATOM 0 H CYS A 38 13.123 -7.210 2.883 1.00 22.24 H new ATOM 0 HA CYS A 38 12.659 -5.570 1.544 1.00 74.03 H new ATOM 0 HB2 CYS A 38 15.326 -4.378 2.286 1.00 61.31 H new ATOM 0 HB3 CYS A 38 14.063 -3.562 1.386 1.00 61.31 H new ATOM 0 HG CYS A 38 13.952 -2.666 4.064 1.00 31.13 H new ATOM 491 N ARG A 39 13.506 -6.836 -0.435 1.00 74.22 N ATOM 492 CA ARG A 39 13.827 -7.276 -1.764 1.00 14.03 C ATOM 493 C ARG A 39 12.942 -6.618 -2.782 1.00 52.14 C ATOM 494 O ARG A 39 11.767 -6.954 -2.904 1.00 71.24 O ATOM 495 CB ARG A 39 13.727 -8.806 -1.857 1.00 63.51 C ATOM 496 CG ARG A 39 14.818 -9.527 -1.094 1.00 63.31 C ATOM 497 CD ARG A 39 16.139 -9.358 -1.804 1.00 25.04 C ATOM 498 NE ARG A 39 17.268 -9.820 -1.024 1.00 34.11 N ATOM 499 CZ ARG A 39 18.358 -10.395 -1.512 1.00 72.22 C ATOM 500 NH1 ARG A 39 18.427 -10.733 -2.803 1.00 11.44 N ATOM 501 NH2 ARG A 39 19.381 -10.628 -0.713 1.00 62.50 N ATOM 0 H ARG A 39 12.640 -7.231 -0.069 1.00 74.22 H new ATOM 0 HA ARG A 39 14.854 -6.982 -1.982 1.00 14.03 H new ATOM 0 HB2 ARG A 39 12.756 -9.123 -1.475 1.00 63.51 H new ATOM 0 HB3 ARG A 39 13.770 -9.103 -2.905 1.00 63.51 H new ATOM 0 HG2 ARG A 39 14.887 -9.132 -0.080 1.00 63.31 H new ATOM 0 HG3 ARG A 39 14.575 -10.586 -1.008 1.00 63.31 H new ATOM 0 HD2 ARG A 39 16.110 -9.903 -2.747 1.00 25.04 H new ATOM 0 HD3 ARG A 39 16.281 -8.305 -2.049 1.00 25.04 H new ATOM 0 HE ARG A 39 17.221 -9.692 -0.013 1.00 34.11 H new ATOM 0 HH11 ARG A 39 17.637 -10.549 -3.421 1.00 11.44 H new ATOM 0 HH12 ARG A 39 19.270 -11.175 -3.170 1.00 11.44 H new ATOM 0 HH21 ARG A 39 19.329 -10.366 0.271 1.00 62.50 H new ATOM 0 HH22 ARG A 39 20.224 -11.070 -1.079 1.00 62.50 H new ATOM 513 N MET A 40 13.493 -5.645 -3.466 1.00 35.44 N ATOM 514 CA MET A 40 12.796 -4.988 -4.553 1.00 1.24 C ATOM 515 C MET A 40 13.183 -5.627 -5.866 1.00 62.52 C ATOM 516 O MET A 40 12.915 -5.077 -6.906 1.00 4.25 O ATOM 517 CB MET A 40 13.098 -3.478 -4.643 1.00 61.14 C ATOM 518 CG MET A 40 12.661 -2.614 -3.470 1.00 55.12 C ATOM 519 SD MET A 40 13.638 -2.830 -1.981 1.00 24.43 S ATOM 520 CE MET A 40 12.871 -1.587 -0.954 1.00 22.01 C ATOM 0 H MET A 40 14.431 -5.285 -3.289 1.00 35.44 H new ATOM 0 HA MET A 40 11.731 -5.105 -4.351 1.00 1.24 H new ATOM 0 HB2 MET A 40 14.173 -3.355 -4.772 1.00 61.14 H new ATOM 0 HB3 MET A 40 12.623 -3.091 -5.544 1.00 61.14 H new ATOM 0 HG2 MET A 40 12.706 -1.567 -3.770 1.00 55.12 H new ATOM 0 HG3 MET A 40 11.619 -2.835 -3.241 1.00 55.12 H new ATOM 0 HE1 MET A 40 13.643 -1.000 -0.456 1.00 22.01 H new ATOM 0 HE2 MET A 40 12.258 -0.931 -1.573 1.00 22.01 H new ATOM 0 HE3 MET A 40 12.243 -2.070 -0.205 1.00 22.01 H new ATOM 530 N GLY A 41 13.817 -6.796 -5.794 1.00 2.54 N ATOM 531 CA GLY A 41 14.328 -7.487 -6.976 1.00 74.34 C ATOM 532 C GLY A 41 13.290 -7.714 -8.061 1.00 23.42 C ATOM 533 O GLY A 41 13.616 -7.685 -9.256 1.00 62.35 O ATOM 0 H GLY A 41 13.990 -7.289 -4.918 1.00 2.54 H new ATOM 0 HA2 GLY A 41 15.153 -6.909 -7.393 1.00 74.34 H new ATOM 0 HA3 GLY A 41 14.736 -8.451 -6.672 1.00 74.34 H new ATOM 537 N ALA A 42 12.069 -7.938 -7.668 1.00 64.15 N ATOM 538 CA ALA A 42 11.001 -8.139 -8.606 1.00 0.44 C ATOM 539 C ALA A 42 9.720 -7.549 -8.060 1.00 43.04 C ATOM 540 O ALA A 42 9.592 -7.326 -6.849 1.00 21.31 O ATOM 541 CB ALA A 42 10.826 -9.619 -8.920 1.00 21.41 C ATOM 0 H ALA A 42 11.785 -7.987 -6.689 1.00 64.15 H new ATOM 0 HA ALA A 42 11.252 -7.630 -9.537 1.00 0.44 H new ATOM 0 HB1 ALA A 42 10.011 -9.746 -9.633 1.00 21.41 H new ATOM 0 HB2 ALA A 42 11.748 -10.011 -9.349 1.00 21.41 H new ATOM 0 HB3 ALA A 42 10.594 -10.160 -8.003 1.00 21.41 H new ATOM 547 N GLY A 43 8.785 -7.288 -8.936 1.00 60.34 N ATOM 548 CA GLY A 43 7.537 -6.725 -8.528 1.00 75.13 C ATOM 549 C GLY A 43 7.469 -5.239 -8.798 1.00 33.32 C ATOM 550 O GLY A 43 8.338 -4.678 -9.471 1.00 1.14 O ATOM 0 H GLY A 43 8.870 -7.459 -9.938 1.00 60.34 H new ATOM 0 HA2 GLY A 43 6.724 -7.226 -9.054 1.00 75.13 H new ATOM 0 HA3 GLY A 43 7.388 -6.907 -7.464 1.00 75.13 H new ATOM 554 N ILE A 44 6.442 -4.600 -8.277 1.00 34.24 N ATOM 555 CA ILE A 44 6.239 -3.154 -8.434 1.00 2.41 C ATOM 556 C ILE A 44 7.283 -2.362 -7.609 1.00 30.34 C ATOM 557 O ILE A 44 7.525 -1.171 -7.840 1.00 15.45 O ATOM 558 CB ILE A 44 4.794 -2.742 -8.003 1.00 21.41 C ATOM 559 CG1 ILE A 44 4.539 -1.250 -8.284 1.00 22.22 C ATOM 560 CG2 ILE A 44 4.560 -3.063 -6.527 1.00 61.11 C ATOM 561 CD1 ILE A 44 3.152 -0.773 -7.913 1.00 42.32 C ATOM 0 H ILE A 44 5.716 -5.061 -7.729 1.00 34.24 H new ATOM 0 HA ILE A 44 6.368 -2.912 -9.489 1.00 2.41 H new ATOM 0 HB ILE A 44 4.086 -3.321 -8.596 1.00 21.41 H new ATOM 0 HG12 ILE A 44 5.272 -0.659 -7.735 1.00 22.22 H new ATOM 0 HG13 ILE A 44 4.704 -1.059 -9.344 1.00 22.22 H new ATOM 0 HG21 ILE A 44 3.549 -2.769 -6.247 1.00 61.11 H new ATOM 0 HG22 ILE A 44 4.685 -4.133 -6.363 1.00 61.11 H new ATOM 0 HG23 ILE A 44 5.279 -2.516 -5.917 1.00 61.11 H new ATOM 0 HD11 ILE A 44 3.058 0.288 -8.144 1.00 42.32 H new ATOM 0 HD12 ILE A 44 2.410 -1.335 -8.481 1.00 42.32 H new ATOM 0 HD13 ILE A 44 2.987 -0.928 -6.847 1.00 42.32 H new ATOM 568 N ALA A 45 7.902 -3.051 -6.657 1.00 10.12 N ATOM 569 CA ALA A 45 8.861 -2.457 -5.738 1.00 2.24 C ATOM 570 C ALA A 45 10.037 -1.775 -6.458 1.00 4.24 C ATOM 571 O ALA A 45 10.624 -0.820 -5.928 1.00 33.12 O ATOM 572 CB ALA A 45 9.335 -3.490 -4.730 1.00 11.31 C ATOM 0 H ALA A 45 7.749 -4.047 -6.501 1.00 10.12 H new ATOM 0 HA ALA A 45 8.346 -1.661 -5.200 1.00 2.24 H new ATOM 0 HB1 ALA A 45 10.052 -3.032 -4.049 1.00 11.31 H new ATOM 0 HB2 ALA A 45 8.482 -3.862 -4.162 1.00 11.31 H new ATOM 0 HB3 ALA A 45 9.811 -4.318 -5.255 1.00 11.31 H new ATOM 578 N VAL A 46 10.366 -2.253 -7.670 1.00 1.35 N ATOM 579 CA VAL A 46 11.443 -1.659 -8.468 1.00 1.34 C ATOM 580 C VAL A 46 11.153 -0.182 -8.800 1.00 3.12 C ATOM 581 O VAL A 46 12.068 0.646 -8.788 1.00 23.34 O ATOM 582 CB VAL A 46 11.751 -2.450 -9.799 1.00 51.15 C ATOM 583 CG1 VAL A 46 12.203 -3.861 -9.521 1.00 10.50 C ATOM 584 CG2 VAL A 46 10.564 -2.466 -10.741 1.00 14.23 C ATOM 0 H VAL A 46 9.902 -3.045 -8.114 1.00 1.35 H new ATOM 0 HA VAL A 46 12.332 -1.723 -7.840 1.00 1.34 H new ATOM 0 HB VAL A 46 12.566 -1.915 -10.287 1.00 51.15 H new ATOM 0 HG11 VAL A 46 12.405 -4.371 -10.463 1.00 10.50 H new ATOM 0 HG12 VAL A 46 13.111 -3.840 -8.918 1.00 10.50 H new ATOM 0 HG13 VAL A 46 11.421 -4.394 -8.980 1.00 10.50 H new ATOM 0 HG21 VAL A 46 10.823 -3.021 -11.643 1.00 14.23 H new ATOM 0 HG22 VAL A 46 9.717 -2.945 -10.250 1.00 14.23 H new ATOM 0 HG23 VAL A 46 10.298 -1.443 -11.008 1.00 14.23 H new ATOM 590 N LEU A 47 9.875 0.145 -9.069 1.00 53.40 N ATOM 591 CA LEU A 47 9.505 1.511 -9.436 1.00 31.11 C ATOM 592 C LEU A 47 9.545 2.432 -8.236 1.00 12.12 C ATOM 593 O LEU A 47 10.017 3.571 -8.335 1.00 52.14 O ATOM 594 CB LEU A 47 8.126 1.630 -10.129 1.00 32.32 C ATOM 595 CG LEU A 47 7.886 0.856 -11.439 1.00 51.51 C ATOM 596 CD1 LEU A 47 7.609 -0.611 -11.187 1.00 21.41 C ATOM 597 CD2 LEU A 47 6.759 1.483 -12.224 1.00 32.22 C ATOM 0 H LEU A 47 9.096 -0.513 -9.038 1.00 53.40 H new ATOM 0 HA LEU A 47 10.254 1.816 -10.167 1.00 31.11 H new ATOM 0 HB2 LEU A 47 7.368 1.311 -9.413 1.00 32.32 H new ATOM 0 HB3 LEU A 47 7.948 2.686 -10.332 1.00 32.32 H new ATOM 0 HG LEU A 47 8.802 0.917 -12.027 1.00 51.51 H new ATOM 0 HD11 LEU A 47 7.446 -1.119 -12.137 1.00 21.41 H new ATOM 0 HD12 LEU A 47 8.462 -1.060 -10.678 1.00 21.41 H new ATOM 0 HD13 LEU A 47 6.720 -0.712 -10.564 1.00 21.41 H new ATOM 0 HD21 LEU A 47 6.603 0.924 -13.146 1.00 32.22 H new ATOM 0 HD22 LEU A 47 5.846 1.463 -11.629 1.00 32.22 H new ATOM 0 HD23 LEU A 47 7.013 2.515 -12.464 1.00 32.22 H new ATOM 605 N PHE A 48 9.052 1.941 -7.095 1.00 21.03 N ATOM 606 CA PHE A 48 9.050 2.743 -5.880 1.00 23.34 C ATOM 607 C PHE A 48 10.455 3.113 -5.458 1.00 63.21 C ATOM 608 O PHE A 48 10.687 4.227 -5.075 1.00 54.20 O ATOM 609 CB PHE A 48 8.312 2.082 -4.706 1.00 14.43 C ATOM 610 CG PHE A 48 6.804 1.985 -4.822 1.00 34.22 C ATOM 611 CD1 PHE A 48 5.977 3.056 -4.451 1.00 12.41 C ATOM 612 CD2 PHE A 48 6.204 0.817 -5.242 1.00 3.35 C ATOM 613 CE1 PHE A 48 4.616 2.944 -4.506 1.00 22.02 C ATOM 614 CE2 PHE A 48 4.826 0.717 -5.302 1.00 61.32 C ATOM 615 CZ PHE A 48 4.037 1.788 -4.926 1.00 51.34 C ATOM 0 H PHE A 48 8.656 1.006 -6.993 1.00 21.03 H new ATOM 0 HA PHE A 48 8.498 3.647 -6.136 1.00 23.34 H new ATOM 0 HB2 PHE A 48 8.709 1.075 -4.577 1.00 14.43 H new ATOM 0 HB3 PHE A 48 8.549 2.637 -3.798 1.00 14.43 H new ATOM 0 HD1 PHE A 48 6.422 3.982 -4.117 1.00 12.41 H new ATOM 0 HD2 PHE A 48 6.815 -0.027 -5.526 1.00 3.35 H new ATOM 0 HE1 PHE A 48 3.997 3.779 -4.214 1.00 22.02 H new ATOM 0 HE2 PHE A 48 4.366 -0.199 -5.643 1.00 61.32 H new ATOM 0 HZ PHE A 48 2.961 1.706 -4.966 1.00 51.34 H new ATOM 625 N LYS A 49 11.403 2.168 -5.569 1.00 2.14 N ATOM 626 CA LYS A 49 12.781 2.411 -5.179 1.00 23.54 C ATOM 627 C LYS A 49 13.378 3.603 -5.970 1.00 42.21 C ATOM 628 O LYS A 49 14.193 4.367 -5.448 1.00 21.25 O ATOM 629 CB LYS A 49 13.607 1.184 -5.488 1.00 1.51 C ATOM 630 CG LYS A 49 15.023 1.255 -4.966 1.00 13.23 C ATOM 631 CD LYS A 49 15.915 0.294 -5.701 1.00 52.43 C ATOM 632 CE LYS A 49 15.485 -1.149 -5.592 1.00 63.52 C ATOM 633 NZ LYS A 49 16.382 -2.032 -6.370 1.00 23.24 N ATOM 0 H LYS A 49 11.229 1.229 -5.928 1.00 2.14 H new ATOM 0 HA LYS A 49 12.799 2.639 -4.113 1.00 23.54 H new ATOM 0 HB2 LYS A 49 13.116 0.310 -5.061 1.00 1.51 H new ATOM 0 HB3 LYS A 49 13.635 1.038 -6.568 1.00 1.51 H new ATOM 0 HG2 LYS A 49 15.405 2.270 -5.077 1.00 13.23 H new ATOM 0 HG3 LYS A 49 15.034 1.025 -3.901 1.00 13.23 H new ATOM 0 HD2 LYS A 49 15.945 0.575 -6.754 1.00 52.43 H new ATOM 0 HD3 LYS A 49 16.930 0.390 -5.316 1.00 52.43 H new ATOM 0 HE2 LYS A 49 15.487 -1.454 -4.546 1.00 63.52 H new ATOM 0 HE3 LYS A 49 14.462 -1.255 -5.953 1.00 63.52 H new ATOM 0 HZ1 LYS A 49 16.064 -3.018 -6.278 1.00 23.24 H new ATOM 0 HZ2 LYS A 49 16.360 -1.753 -7.372 1.00 23.24 H new ATOM 0 HZ3 LYS A 49 17.353 -1.946 -6.008 1.00 23.24 H new ATOM 647 N LYS A 50 12.962 3.739 -7.226 1.00 41.41 N ATOM 648 CA LYS A 50 13.455 4.785 -8.101 1.00 41.43 C ATOM 649 C LYS A 50 12.989 6.149 -7.638 1.00 73.30 C ATOM 650 O LYS A 50 13.782 7.069 -7.473 1.00 65.23 O ATOM 651 CB LYS A 50 12.933 4.580 -9.512 1.00 21.43 C ATOM 652 CG LYS A 50 13.313 3.281 -10.169 1.00 30.52 C ATOM 653 CD LYS A 50 12.720 3.228 -11.555 1.00 65.32 C ATOM 654 CE LYS A 50 13.008 1.919 -12.249 1.00 61.03 C ATOM 655 NZ LYS A 50 12.421 1.880 -13.610 1.00 35.33 N ATOM 0 H LYS A 50 12.274 3.125 -7.661 1.00 41.41 H new ATOM 0 HA LYS A 50 14.544 4.736 -8.079 1.00 41.43 H new ATOM 0 HB2 LYS A 50 11.845 4.650 -9.490 1.00 21.43 H new ATOM 0 HB3 LYS A 50 13.293 5.399 -10.135 1.00 21.43 H new ATOM 0 HG2 LYS A 50 14.398 3.191 -10.222 1.00 30.52 H new ATOM 0 HG3 LYS A 50 12.953 2.441 -9.575 1.00 30.52 H new ATOM 0 HD2 LYS A 50 11.642 3.375 -11.493 1.00 65.32 H new ATOM 0 HD3 LYS A 50 13.119 4.049 -12.151 1.00 65.32 H new ATOM 0 HE2 LYS A 50 14.086 1.770 -12.313 1.00 61.03 H new ATOM 0 HE3 LYS A 50 12.607 1.097 -11.656 1.00 61.03 H new ATOM 0 HZ1 LYS A 50 12.639 0.966 -14.056 1.00 35.33 H new ATOM 0 HZ2 LYS A 50 11.390 1.997 -13.547 1.00 35.33 H new ATOM 0 HZ3 LYS A 50 12.822 2.650 -14.183 1.00 35.33 H new ATOM 669 N LYS A 51 11.700 6.266 -7.431 1.00 32.13 N ATOM 670 CA LYS A 51 11.075 7.539 -7.104 1.00 12.25 C ATOM 671 C LYS A 51 11.151 7.850 -5.627 1.00 4.52 C ATOM 672 O LYS A 51 11.092 9.014 -5.218 1.00 2.20 O ATOM 673 CB LYS A 51 9.632 7.555 -7.601 1.00 64.11 C ATOM 674 CG LYS A 51 9.537 7.408 -9.105 1.00 71.02 C ATOM 675 CD LYS A 51 8.108 7.418 -9.599 1.00 10.13 C ATOM 676 CE LYS A 51 8.089 7.344 -11.112 1.00 62.34 C ATOM 677 NZ LYS A 51 6.726 7.383 -11.668 1.00 3.22 N ATOM 0 H LYS A 51 11.047 5.484 -7.483 1.00 32.13 H new ATOM 0 HA LYS A 51 11.631 8.325 -7.614 1.00 12.25 H new ATOM 0 HB2 LYS A 51 9.078 6.747 -7.124 1.00 64.11 H new ATOM 0 HB3 LYS A 51 9.157 8.489 -7.299 1.00 64.11 H new ATOM 0 HG2 LYS A 51 10.088 8.219 -9.582 1.00 71.02 H new ATOM 0 HG3 LYS A 51 10.016 6.476 -9.407 1.00 71.02 H new ATOM 0 HD2 LYS A 51 7.562 6.574 -9.177 1.00 10.13 H new ATOM 0 HD3 LYS A 51 7.604 8.324 -9.263 1.00 10.13 H new ATOM 0 HE2 LYS A 51 8.666 8.174 -11.519 1.00 62.34 H new ATOM 0 HE3 LYS A 51 8.581 6.426 -11.433 1.00 62.34 H new ATOM 0 HZ1 LYS A 51 6.730 7.916 -12.561 1.00 3.22 H new ATOM 0 HZ2 LYS A 51 6.396 6.413 -11.846 1.00 3.22 H new ATOM 0 HZ3 LYS A 51 6.088 7.847 -10.991 1.00 3.22 H new ATOM 691 N PHE A 52 11.283 6.831 -4.842 1.00 11.11 N ATOM 692 CA PHE A 52 11.332 6.949 -3.436 1.00 51.52 C ATOM 693 C PHE A 52 12.496 6.125 -2.953 1.00 13.42 C ATOM 694 O PHE A 52 12.384 4.903 -2.802 1.00 21.41 O ATOM 695 CB PHE A 52 10.025 6.447 -2.781 1.00 3.14 C ATOM 696 CG PHE A 52 8.769 7.086 -3.320 1.00 75.21 C ATOM 697 CD1 PHE A 52 8.387 8.351 -2.918 1.00 34.33 C ATOM 698 CD2 PHE A 52 7.971 6.411 -4.232 1.00 74.24 C ATOM 699 CE1 PHE A 52 7.238 8.937 -3.411 1.00 21.04 C ATOM 700 CE2 PHE A 52 6.822 6.988 -4.729 1.00 71.40 C ATOM 701 CZ PHE A 52 6.454 8.253 -4.318 1.00 24.04 C ATOM 0 H PHE A 52 11.361 5.871 -5.178 1.00 11.11 H new ATOM 0 HA PHE A 52 11.450 7.997 -3.160 1.00 51.52 H new ATOM 0 HB2 PHE A 52 9.956 5.368 -2.918 1.00 3.14 H new ATOM 0 HB3 PHE A 52 10.078 6.629 -1.708 1.00 3.14 H new ATOM 0 HD1 PHE A 52 8.996 8.890 -2.207 1.00 34.33 H new ATOM 0 HD2 PHE A 52 8.254 5.421 -4.557 1.00 74.24 H new ATOM 0 HE1 PHE A 52 6.954 9.928 -3.088 1.00 21.04 H new ATOM 0 HE2 PHE A 52 6.211 6.451 -5.439 1.00 71.40 H new ATOM 0 HZ PHE A 52 5.554 8.707 -4.705 1.00 24.04 H new ATOM 711 N GLY A 53 13.633 6.775 -2.814 1.00 5.40 N ATOM 712 CA GLY A 53 14.844 6.145 -2.274 1.00 45.35 C ATOM 713 C GLY A 53 14.656 5.744 -0.818 1.00 53.35 C ATOM 714 O GLY A 53 15.245 6.324 0.090 1.00 12.31 O ATOM 0 H GLY A 53 13.755 7.755 -3.069 1.00 5.40 H new ATOM 0 HA2 GLY A 53 15.094 5.265 -2.867 1.00 45.35 H new ATOM 0 HA3 GLY A 53 15.684 6.835 -2.358 1.00 45.35 H new ATOM 718 N GLY A 54 13.805 4.791 -0.625 1.00 32.31 N ATOM 719 CA GLY A 54 13.439 4.314 0.655 1.00 31.52 C ATOM 720 C GLY A 54 14.331 3.258 1.209 1.00 75.01 C ATOM 721 O GLY A 54 14.412 3.116 2.408 1.00 71.31 O ATOM 0 H GLY A 54 13.331 4.309 -1.389 1.00 32.31 H new ATOM 0 HA2 GLY A 54 13.421 5.155 1.349 1.00 31.52 H new ATOM 0 HA3 GLY A 54 12.423 3.921 0.604 1.00 31.52 H new ATOM 725 N VAL A 55 15.010 2.527 0.335 1.00 34.12 N ATOM 726 CA VAL A 55 15.717 1.295 0.716 1.00 3.31 C ATOM 727 C VAL A 55 16.615 1.426 1.966 1.00 31.53 C ATOM 728 O VAL A 55 16.472 0.635 2.892 1.00 74.22 O ATOM 729 CB VAL A 55 16.484 0.655 -0.486 1.00 14.33 C ATOM 730 CG1 VAL A 55 17.541 1.582 -1.062 1.00 51.24 C ATOM 731 CG2 VAL A 55 17.074 -0.697 -0.119 1.00 44.41 C ATOM 0 H VAL A 55 15.091 2.763 -0.654 1.00 34.12 H new ATOM 0 HA VAL A 55 14.924 0.607 1.010 1.00 3.31 H new ATOM 0 HB VAL A 55 15.746 0.493 -1.272 1.00 14.33 H new ATOM 0 HG11 VAL A 55 18.044 1.088 -1.894 1.00 51.24 H new ATOM 0 HG12 VAL A 55 17.068 2.498 -1.416 1.00 51.24 H new ATOM 0 HG13 VAL A 55 18.271 1.826 -0.290 1.00 51.24 H new ATOM 0 HG21 VAL A 55 17.599 -1.110 -0.980 1.00 44.41 H new ATOM 0 HG22 VAL A 55 17.773 -0.576 0.709 1.00 44.41 H new ATOM 0 HG23 VAL A 55 16.274 -1.375 0.177 1.00 44.41 H new ATOM 737 N GLN A 56 17.477 2.426 2.030 1.00 62.12 N ATOM 738 CA GLN A 56 18.305 2.592 3.215 1.00 21.12 C ATOM 739 C GLN A 56 17.476 2.945 4.439 1.00 62.44 C ATOM 740 O GLN A 56 17.694 2.415 5.525 1.00 4.33 O ATOM 741 CB GLN A 56 19.390 3.610 3.012 1.00 11.54 C ATOM 742 CG GLN A 56 20.190 3.806 4.266 1.00 14.12 C ATOM 743 CD GLN A 56 21.473 4.468 4.011 1.00 65.42 C ATOM 744 OE1 GLN A 56 21.595 5.693 4.040 1.00 62.43 O ATOM 745 NE2 GLN A 56 22.449 3.666 3.758 1.00 0.13 N ATOM 0 H GLN A 56 17.622 3.120 1.297 1.00 62.12 H new ATOM 0 HA GLN A 56 18.780 1.627 3.390 1.00 21.12 H new ATOM 0 HB2 GLN A 56 20.048 3.289 2.204 1.00 11.54 H new ATOM 0 HB3 GLN A 56 18.950 4.559 2.706 1.00 11.54 H new ATOM 0 HG2 GLN A 56 19.612 4.400 4.974 1.00 14.12 H new ATOM 0 HG3 GLN A 56 20.370 2.838 4.734 1.00 14.12 H new ATOM 0 HE21 GLN A 56 22.291 2.658 3.747 1.00 0.13 H new ATOM 0 HE22 GLN A 56 23.379 4.039 3.569 1.00 0.13 H new ATOM 753 N GLU A 57 16.510 3.804 4.244 1.00 51.15 N ATOM 754 CA GLU A 57 15.631 4.244 5.314 1.00 21.20 C ATOM 755 C GLU A 57 14.822 3.055 5.848 1.00 41.43 C ATOM 756 O GLU A 57 14.526 2.962 7.037 1.00 4.22 O ATOM 757 CB GLU A 57 14.702 5.339 4.801 1.00 30.21 C ATOM 758 CG GLU A 57 15.435 6.528 4.192 1.00 21.02 C ATOM 759 CD GLU A 57 16.399 7.172 5.158 1.00 71.44 C ATOM 760 OE1 GLU A 57 15.943 7.904 6.057 1.00 70.31 O ATOM 761 OE2 GLU A 57 17.629 6.961 5.020 1.00 42.34 O ATOM 0 H GLU A 57 16.304 4.224 3.338 1.00 51.15 H new ATOM 0 HA GLU A 57 16.230 4.649 6.130 1.00 21.20 H new ATOM 0 HB2 GLU A 57 14.032 4.914 4.053 1.00 30.21 H new ATOM 0 HB3 GLU A 57 14.079 5.690 5.624 1.00 30.21 H new ATOM 0 HG2 GLU A 57 15.979 6.200 3.306 1.00 21.02 H new ATOM 0 HG3 GLU A 57 14.707 7.269 3.863 1.00 21.02 H new ATOM 768 N LEU A 58 14.483 2.148 4.956 1.00 22.11 N ATOM 769 CA LEU A 58 13.767 0.945 5.314 1.00 45.42 C ATOM 770 C LEU A 58 14.671 0.013 6.081 1.00 43.43 C ATOM 771 O LEU A 58 14.269 -0.550 7.078 1.00 3.24 O ATOM 772 CB LEU A 58 13.232 0.250 4.074 1.00 51.23 C ATOM 773 CG LEU A 58 12.286 1.074 3.219 1.00 10.13 C ATOM 774 CD1 LEU A 58 11.836 0.277 2.026 1.00 53.53 C ATOM 775 CD2 LEU A 58 11.098 1.556 4.032 1.00 22.20 C ATOM 0 H LEU A 58 14.697 2.226 3.962 1.00 22.11 H new ATOM 0 HA LEU A 58 12.923 1.221 5.946 1.00 45.42 H new ATOM 0 HB2 LEU A 58 14.077 -0.057 3.458 1.00 51.23 H new ATOM 0 HB3 LEU A 58 12.716 -0.659 4.383 1.00 51.23 H new ATOM 0 HG LEU A 58 12.821 1.955 2.863 1.00 10.13 H new ATOM 0 HD11 LEU A 58 11.158 0.879 1.421 1.00 53.53 H new ATOM 0 HD12 LEU A 58 12.703 -0.004 1.428 1.00 53.53 H new ATOM 0 HD13 LEU A 58 11.320 -0.622 2.363 1.00 53.53 H new ATOM 0 HD21 LEU A 58 10.436 2.144 3.396 1.00 22.20 H new ATOM 0 HD22 LEU A 58 10.554 0.697 4.426 1.00 22.20 H new ATOM 0 HD23 LEU A 58 11.449 2.174 4.859 1.00 22.20 H new ATOM 783 N LEU A 59 15.910 -0.112 5.624 1.00 64.14 N ATOM 784 CA LEU A 59 16.901 -0.947 6.292 1.00 44.11 C ATOM 785 C LEU A 59 17.205 -0.394 7.680 1.00 20.45 C ATOM 786 O LEU A 59 17.557 -1.138 8.596 1.00 45.20 O ATOM 787 CB LEU A 59 18.194 -1.046 5.462 1.00 22.34 C ATOM 788 CG LEU A 59 18.059 -1.667 4.068 1.00 50.33 C ATOM 789 CD1 LEU A 59 19.399 -1.684 3.354 1.00 61.22 C ATOM 790 CD2 LEU A 59 17.480 -3.070 4.150 1.00 4.53 C ATOM 0 H LEU A 59 16.255 0.358 4.787 1.00 64.14 H new ATOM 0 HA LEU A 59 16.487 -1.950 6.392 1.00 44.11 H new ATOM 0 HB2 LEU A 59 18.607 -0.044 5.352 1.00 22.34 H new ATOM 0 HB3 LEU A 59 18.920 -1.630 6.028 1.00 22.34 H new ATOM 0 HG LEU A 59 17.370 -1.049 3.492 1.00 50.33 H new ATOM 0 HD11 LEU A 59 19.279 -2.129 2.366 1.00 61.22 H new ATOM 0 HD12 LEU A 59 19.769 -0.664 3.250 1.00 61.22 H new ATOM 0 HD13 LEU A 59 20.112 -2.271 3.933 1.00 61.22 H new ATOM 0 HD21 LEU A 59 17.395 -3.488 3.147 1.00 4.53 H new ATOM 0 HD22 LEU A 59 18.136 -3.700 4.751 1.00 4.53 H new ATOM 0 HD23 LEU A 59 16.493 -3.030 4.611 1.00 4.53 H new ATOM 798 N ASN A 60 17.057 0.912 7.810 1.00 24.33 N ATOM 799 CA ASN A 60 17.275 1.632 9.057 1.00 51.30 C ATOM 800 C ASN A 60 16.101 1.378 10.027 1.00 12.11 C ATOM 801 O ASN A 60 16.303 1.214 11.232 1.00 61.00 O ATOM 802 CB ASN A 60 17.427 3.137 8.726 1.00 70.00 C ATOM 803 CG ASN A 60 17.780 4.053 9.894 1.00 71.32 C ATOM 804 OD1 ASN A 60 17.394 3.840 11.044 1.00 30.54 O ATOM 805 ND2 ASN A 60 18.528 5.080 9.596 1.00 42.33 N ATOM 0 H ASN A 60 16.776 1.516 7.038 1.00 24.33 H new ATOM 0 HA ASN A 60 18.182 1.282 9.550 1.00 51.30 H new ATOM 0 HB2 ASN A 60 18.198 3.243 7.963 1.00 70.00 H new ATOM 0 HB3 ASN A 60 16.493 3.487 8.287 1.00 70.00 H new ATOM 0 HD21 ASN A 60 18.810 5.735 10.326 1.00 42.33 H new ATOM 0 HD22 ASN A 60 18.831 5.228 8.633 1.00 42.33 H new ATOM 811 N GLN A 61 14.883 1.310 9.492 1.00 44.44 N ATOM 812 CA GLN A 61 13.708 1.016 10.312 1.00 42.03 C ATOM 813 C GLN A 61 13.608 -0.477 10.595 1.00 10.50 C ATOM 814 O GLN A 61 13.039 -0.895 11.612 1.00 1.42 O ATOM 815 CB GLN A 61 12.416 1.525 9.659 1.00 61.43 C ATOM 816 CG GLN A 61 12.349 3.037 9.518 1.00 15.55 C ATOM 817 CD GLN A 61 11.030 3.513 8.940 1.00 44.45 C ATOM 818 OE1 GLN A 61 10.081 3.765 9.670 1.00 12.25 O ATOM 819 NE2 GLN A 61 10.958 3.649 7.640 1.00 44.42 N ATOM 0 H GLN A 61 14.684 1.453 8.502 1.00 44.44 H new ATOM 0 HA GLN A 61 13.831 1.545 11.257 1.00 42.03 H new ATOM 0 HB2 GLN A 61 12.318 1.074 8.672 1.00 61.43 H new ATOM 0 HB3 GLN A 61 11.565 1.187 10.250 1.00 61.43 H new ATOM 0 HG2 GLN A 61 12.500 3.496 10.495 1.00 15.55 H new ATOM 0 HG3 GLN A 61 13.164 3.375 8.878 1.00 15.55 H new ATOM 0 HE21 GLN A 61 11.767 3.431 7.059 1.00 44.42 H new ATOM 0 HE22 GLN A 61 10.093 3.973 7.208 1.00 44.42 H new ATOM 827 N GLN A 62 14.171 -1.261 9.678 1.00 74.11 N ATOM 828 CA GLN A 62 14.230 -2.719 9.732 1.00 71.01 C ATOM 829 C GLN A 62 12.859 -3.333 9.490 1.00 65.35 C ATOM 830 O GLN A 62 12.536 -3.701 8.362 1.00 35.33 O ATOM 831 CB GLN A 62 14.845 -3.224 11.049 1.00 21.41 C ATOM 832 CG GLN A 62 16.248 -2.712 11.318 1.00 41.04 C ATOM 833 CD GLN A 62 16.746 -3.101 12.688 1.00 73.44 C ATOM 834 OE1 GLN A 62 16.541 -2.366 13.659 1.00 65.30 O ATOM 835 NE2 GLN A 62 17.385 -4.234 12.789 1.00 1.25 N ATOM 0 H GLN A 62 14.617 -0.881 8.843 1.00 74.11 H new ATOM 0 HA GLN A 62 14.890 -3.044 8.928 1.00 71.01 H new ATOM 0 HB2 GLN A 62 14.198 -2.929 11.875 1.00 21.41 H new ATOM 0 HB3 GLN A 62 14.865 -4.314 11.033 1.00 21.41 H new ATOM 0 HG2 GLN A 62 16.927 -3.105 10.562 1.00 41.04 H new ATOM 0 HG3 GLN A 62 16.260 -1.626 11.224 1.00 41.04 H new ATOM 0 HE21 GLN A 62 17.533 -4.812 11.961 1.00 1.25 H new ATOM 0 HE22 GLN A 62 17.737 -4.542 13.696 1.00 1.25 H new ATOM 843 N LYS A 63 12.059 -3.354 10.550 1.00 42.22 N ATOM 844 CA LYS A 63 10.721 -3.919 10.596 1.00 23.21 C ATOM 845 C LYS A 63 10.664 -5.411 10.276 1.00 40.24 C ATOM 846 O LYS A 63 11.371 -5.925 9.406 1.00 45.22 O ATOM 847 CB LYS A 63 9.729 -3.091 9.780 1.00 11.42 C ATOM 848 CG LYS A 63 9.550 -1.612 10.234 1.00 3.01 C ATOM 849 CD LYS A 63 9.043 -1.486 11.687 1.00 61.52 C ATOM 850 CE LYS A 63 10.156 -1.595 12.742 1.00 44.55 C ATOM 851 NZ LYS A 63 9.610 -1.681 14.109 1.00 52.33 N ATOM 0 H LYS A 63 12.344 -2.956 11.445 1.00 42.22 H new ATOM 0 HA LYS A 63 10.406 -3.857 11.638 1.00 23.21 H new ATOM 0 HB2 LYS A 63 10.050 -3.096 8.738 1.00 11.42 H new ATOM 0 HB3 LYS A 63 8.757 -3.583 9.816 1.00 11.42 H new ATOM 0 HG2 LYS A 63 10.503 -1.091 10.141 1.00 3.01 H new ATOM 0 HG3 LYS A 63 8.848 -1.114 9.565 1.00 3.01 H new ATOM 0 HD2 LYS A 63 8.537 -0.528 11.804 1.00 61.52 H new ATOM 0 HD3 LYS A 63 8.302 -2.263 11.872 1.00 61.52 H new ATOM 0 HE2 LYS A 63 10.765 -2.476 12.538 1.00 44.55 H new ATOM 0 HE3 LYS A 63 10.813 -0.729 12.667 1.00 44.55 H new ATOM 0 HZ1 LYS A 63 10.151 -2.382 14.655 1.00 52.33 H new ATOM 0 HZ2 LYS A 63 9.682 -0.752 14.571 1.00 52.33 H new ATOM 0 HZ3 LYS A 63 8.612 -1.970 14.067 1.00 52.33 H new ATOM 865 N LYS A 64 9.850 -6.115 11.010 1.00 43.15 N ATOM 866 CA LYS A 64 9.709 -7.529 10.773 1.00 64.33 C ATOM 867 C LYS A 64 8.328 -7.872 10.301 1.00 62.10 C ATOM 868 O LYS A 64 7.449 -7.023 10.299 1.00 24.34 O ATOM 869 CB LYS A 64 10.126 -8.425 11.958 1.00 70.02 C ATOM 870 CG LYS A 64 9.315 -8.335 13.257 1.00 1.30 C ATOM 871 CD LYS A 64 9.625 -7.094 14.061 1.00 44.31 C ATOM 872 CE LYS A 64 8.796 -7.035 15.335 1.00 71.25 C ATOM 873 NZ LYS A 64 9.050 -8.195 16.222 1.00 25.42 N ATOM 0 H LYS A 64 9.279 -5.742 11.769 1.00 43.15 H new ATOM 0 HA LYS A 64 10.421 -7.750 9.978 1.00 64.33 H new ATOM 0 HB2 LYS A 64 10.097 -9.460 11.619 1.00 70.02 H new ATOM 0 HB3 LYS A 64 11.165 -8.197 12.198 1.00 70.02 H new ATOM 0 HG2 LYS A 64 8.252 -8.350 13.017 1.00 1.30 H new ATOM 0 HG3 LYS A 64 9.516 -9.216 13.866 1.00 1.30 H new ATOM 0 HD2 LYS A 64 10.685 -7.078 14.314 1.00 44.31 H new ATOM 0 HD3 LYS A 64 9.429 -6.209 13.456 1.00 44.31 H new ATOM 0 HE2 LYS A 64 9.022 -6.113 15.871 1.00 71.25 H new ATOM 0 HE3 LYS A 64 7.738 -7.002 15.077 1.00 71.25 H new ATOM 0 HZ1 LYS A 64 8.642 -8.010 17.161 1.00 25.42 H new ATOM 0 HZ2 LYS A 64 8.611 -9.046 15.815 1.00 25.42 H new ATOM 0 HZ3 LYS A 64 10.075 -8.344 16.313 1.00 25.42 H new ATOM 887 N SER A 65 8.161 -9.103 9.860 1.00 34.42 N ATOM 888 CA SER A 65 6.899 -9.613 9.383 1.00 11.24 C ATOM 889 C SER A 65 5.750 -9.274 10.331 1.00 2.24 C ATOM 890 O SER A 65 5.814 -9.535 11.548 1.00 43.44 O ATOM 891 CB SER A 65 7.025 -11.116 9.126 1.00 62.14 C ATOM 892 OG SER A 65 7.682 -11.772 10.207 1.00 20.12 O ATOM 0 H SER A 65 8.916 -9.787 9.824 1.00 34.42 H new ATOM 0 HA SER A 65 6.652 -9.124 8.441 1.00 11.24 H new ATOM 0 HB2 SER A 65 6.034 -11.547 8.984 1.00 62.14 H new ATOM 0 HB3 SER A 65 7.581 -11.284 8.204 1.00 62.14 H new ATOM 0 HG SER A 65 8.652 -11.666 10.113 1.00 20.12 H new ATOM 898 N GLY A 66 4.724 -8.672 9.778 1.00 25.43 N ATOM 899 CA GLY A 66 3.612 -8.223 10.568 1.00 35.05 C ATOM 900 C GLY A 66 3.728 -6.750 10.917 1.00 45.13 C ATOM 901 O GLY A 66 2.866 -6.190 11.586 1.00 22.33 O ATOM 0 H GLY A 66 4.640 -8.483 8.779 1.00 25.43 H new ATOM 0 HA2 GLY A 66 2.685 -8.395 10.022 1.00 35.05 H new ATOM 0 HA3 GLY A 66 3.556 -8.811 11.484 1.00 35.05 H new ATOM 905 N GLU A 67 4.790 -6.127 10.457 1.00 62.40 N ATOM 906 CA GLU A 67 5.002 -4.709 10.642 1.00 40.35 C ATOM 907 C GLU A 67 4.999 -4.002 9.307 1.00 63.24 C ATOM 908 O GLU A 67 4.959 -4.645 8.255 1.00 21.11 O ATOM 909 CB GLU A 67 6.315 -4.392 11.374 1.00 14.33 C ATOM 910 CG GLU A 67 6.364 -4.752 12.831 1.00 11.12 C ATOM 911 CD GLU A 67 7.588 -4.158 13.464 1.00 54.24 C ATOM 912 OE1 GLU A 67 8.693 -4.495 13.049 1.00 22.31 O ATOM 913 OE2 GLU A 67 7.455 -3.314 14.378 1.00 72.44 O ATOM 0 H GLU A 67 5.536 -6.593 9.941 1.00 62.40 H new ATOM 0 HA GLU A 67 4.181 -4.353 11.264 1.00 40.35 H new ATOM 0 HB2 GLU A 67 7.126 -4.913 10.865 1.00 14.33 H new ATOM 0 HB3 GLU A 67 6.512 -3.324 11.278 1.00 14.33 H new ATOM 0 HG2 GLU A 67 5.470 -4.386 13.335 1.00 11.12 H new ATOM 0 HG3 GLU A 67 6.374 -5.836 12.946 1.00 11.12 H new ATOM 920 N VAL A 68 5.014 -2.697 9.346 1.00 24.41 N ATOM 921 CA VAL A 68 5.022 -1.900 8.155 1.00 13.33 C ATOM 922 C VAL A 68 6.104 -0.836 8.293 1.00 54.42 C ATOM 923 O VAL A 68 6.319 -0.303 9.383 1.00 74.44 O ATOM 924 CB VAL A 68 3.622 -1.222 7.907 1.00 63.14 C ATOM 925 CG1 VAL A 68 3.271 -0.222 8.999 1.00 42.10 C ATOM 926 CG2 VAL A 68 3.547 -0.564 6.544 1.00 51.13 C ATOM 0 H VAL A 68 5.021 -2.156 10.211 1.00 24.41 H new ATOM 0 HA VAL A 68 5.229 -2.542 7.298 1.00 13.33 H new ATOM 0 HB VAL A 68 2.884 -2.024 7.937 1.00 63.14 H new ATOM 0 HG11 VAL A 68 2.298 0.221 8.787 1.00 42.10 H new ATOM 0 HG12 VAL A 68 3.236 -0.732 9.962 1.00 42.10 H new ATOM 0 HG13 VAL A 68 4.027 0.562 9.031 1.00 42.10 H new ATOM 0 HG21 VAL A 68 2.565 -0.109 6.413 1.00 51.13 H new ATOM 0 HG22 VAL A 68 4.316 0.204 6.468 1.00 51.13 H new ATOM 0 HG23 VAL A 68 3.705 -1.314 5.769 1.00 51.13 H new ATOM 932 N ALA A 69 6.806 -0.576 7.243 1.00 71.40 N ATOM 933 CA ALA A 69 7.771 0.486 7.240 1.00 1.51 C ATOM 934 C ALA A 69 7.185 1.614 6.432 1.00 23.12 C ATOM 935 O ALA A 69 6.728 1.396 5.317 1.00 62.54 O ATOM 936 CB ALA A 69 9.092 0.013 6.652 1.00 22.43 C ATOM 0 H ALA A 69 6.733 -1.087 6.363 1.00 71.40 H new ATOM 0 HA ALA A 69 7.984 0.819 8.256 1.00 1.51 H new ATOM 0 HB1 ALA A 69 9.809 0.834 6.660 1.00 22.43 H new ATOM 0 HB2 ALA A 69 9.480 -0.813 7.248 1.00 22.43 H new ATOM 0 HB3 ALA A 69 8.935 -0.322 5.627 1.00 22.43 H new ATOM 942 N VAL A 70 7.149 2.798 6.981 1.00 61.44 N ATOM 943 CA VAL A 70 6.513 3.896 6.288 1.00 22.10 C ATOM 944 C VAL A 70 7.522 5.003 6.073 1.00 43.54 C ATOM 945 O VAL A 70 8.464 5.149 6.857 1.00 55.41 O ATOM 946 CB VAL A 70 5.293 4.470 7.078 1.00 71.34 C ATOM 947 CG1 VAL A 70 4.452 5.395 6.220 1.00 52.41 C ATOM 948 CG2 VAL A 70 4.449 3.378 7.714 1.00 51.54 C ATOM 0 H VAL A 70 7.545 3.030 7.892 1.00 61.44 H new ATOM 0 HA VAL A 70 6.145 3.513 5.336 1.00 22.10 H new ATOM 0 HB VAL A 70 5.704 5.065 7.894 1.00 71.34 H new ATOM 0 HG11 VAL A 70 3.614 5.773 6.806 1.00 52.41 H new ATOM 0 HG12 VAL A 70 5.063 6.231 5.879 1.00 52.41 H new ATOM 0 HG13 VAL A 70 4.074 4.847 5.357 1.00 52.41 H new ATOM 0 HG21 VAL A 70 3.615 3.829 8.251 1.00 51.54 H new ATOM 0 HG22 VAL A 70 4.066 2.716 6.938 1.00 51.54 H new ATOM 0 HG23 VAL A 70 5.061 2.804 8.410 1.00 51.54 H new ATOM 954 N LEU A 71 7.350 5.734 5.005 1.00 50.10 N ATOM 955 CA LEU A 71 8.182 6.868 4.694 1.00 14.04 C ATOM 956 C LEU A 71 7.294 8.036 4.332 1.00 11.14 C ATOM 957 O LEU A 71 6.291 7.851 3.636 1.00 72.32 O ATOM 958 CB LEU A 71 9.075 6.557 3.499 1.00 44.21 C ATOM 959 CG LEU A 71 10.036 5.387 3.641 1.00 11.32 C ATOM 960 CD1 LEU A 71 10.762 5.179 2.346 1.00 61.23 C ATOM 961 CD2 LEU A 71 11.033 5.636 4.761 1.00 1.24 C ATOM 0 H LEU A 71 6.619 5.557 4.316 1.00 50.10 H new ATOM 0 HA LEU A 71 8.802 7.102 5.559 1.00 14.04 H new ATOM 0 HB2 LEU A 71 8.434 6.367 2.638 1.00 44.21 H new ATOM 0 HB3 LEU A 71 9.659 7.449 3.271 1.00 44.21 H new ATOM 0 HG LEU A 71 9.464 4.493 3.889 1.00 11.32 H new ATOM 0 HD11 LEU A 71 11.451 4.341 2.446 1.00 61.23 H new ATOM 0 HD12 LEU A 71 10.042 4.965 1.556 1.00 61.23 H new ATOM 0 HD13 LEU A 71 11.321 6.080 2.093 1.00 61.23 H new ATOM 0 HD21 LEU A 71 11.709 4.785 4.842 1.00 1.24 H new ATOM 0 HD22 LEU A 71 11.608 6.536 4.543 1.00 1.24 H new ATOM 0 HD23 LEU A 71 10.498 5.766 5.702 1.00 1.24 H new ATOM 969 N LYS A 72 7.624 9.218 4.805 1.00 15.33 N ATOM 970 CA LYS A 72 6.864 10.385 4.422 1.00 14.41 C ATOM 971 C LYS A 72 7.570 11.106 3.286 1.00 24.24 C ATOM 972 O LYS A 72 8.676 11.627 3.459 1.00 13.30 O ATOM 973 CB LYS A 72 6.672 11.343 5.585 1.00 41.03 C ATOM 974 CG LYS A 72 5.759 12.515 5.250 1.00 11.25 C ATOM 975 CD LYS A 72 5.545 13.425 6.437 1.00 43.45 C ATOM 976 CE LYS A 72 4.623 14.581 6.078 1.00 41.45 C ATOM 977 NZ LYS A 72 4.390 15.488 7.217 1.00 1.22 N ATOM 0 H LYS A 72 8.399 9.394 5.444 1.00 15.33 H new ATOM 0 HA LYS A 72 5.879 10.046 4.099 1.00 14.41 H new ATOM 0 HB2 LYS A 72 6.257 10.797 6.432 1.00 41.03 H new ATOM 0 HB3 LYS A 72 7.644 11.725 5.897 1.00 41.03 H new ATOM 0 HG2 LYS A 72 6.190 13.087 4.428 1.00 11.25 H new ATOM 0 HG3 LYS A 72 4.797 12.137 4.905 1.00 11.25 H new ATOM 0 HD2 LYS A 72 5.117 12.857 7.263 1.00 43.45 H new ATOM 0 HD3 LYS A 72 6.504 13.813 6.780 1.00 43.45 H new ATOM 0 HE2 LYS A 72 5.056 15.144 5.251 1.00 41.45 H new ATOM 0 HE3 LYS A 72 3.668 14.186 5.730 1.00 41.45 H new ATOM 0 HZ1 LYS A 72 3.757 16.259 6.923 1.00 1.22 H new ATOM 0 HZ2 LYS A 72 3.952 14.959 7.998 1.00 1.22 H new ATOM 0 HZ3 LYS A 72 5.297 15.887 7.534 1.00 1.22 H new ATOM 991 N ARG A 73 6.950 11.107 2.139 1.00 13.15 N ATOM 992 CA ARG A 73 7.465 11.779 0.930 1.00 1.43 C ATOM 993 C ARG A 73 6.389 12.613 0.280 1.00 72.21 C ATOM 994 O ARG A 73 5.321 12.110 -0.028 1.00 53.55 O ATOM 995 CB ARG A 73 8.063 10.798 -0.115 1.00 34.22 C ATOM 996 CG ARG A 73 9.539 10.430 0.082 1.00 3.21 C ATOM 997 CD ARG A 73 9.809 9.720 1.377 1.00 20.30 C ATOM 998 NE ARG A 73 11.230 9.460 1.560 1.00 72.51 N ATOM 999 CZ ARG A 73 11.830 9.301 2.743 1.00 33.52 C ATOM 1000 NH1 ARG A 73 11.160 9.506 3.864 1.00 54.33 N ATOM 1001 NH2 ARG A 73 13.111 8.990 2.805 1.00 14.13 N ATOM 0 H ARG A 73 6.056 10.639 1.993 1.00 13.15 H new ATOM 0 HA ARG A 73 8.278 12.420 1.272 1.00 1.43 H new ATOM 0 HB2 ARG A 73 7.475 9.881 -0.102 1.00 34.22 H new ATOM 0 HB3 ARG A 73 7.947 11.237 -1.106 1.00 34.22 H new ATOM 0 HG2 ARG A 73 9.861 9.797 -0.745 1.00 3.21 H new ATOM 0 HG3 ARG A 73 10.141 11.338 0.042 1.00 3.21 H new ATOM 0 HD2 ARG A 73 9.439 10.322 2.207 1.00 20.30 H new ATOM 0 HD3 ARG A 73 9.261 8.778 1.397 1.00 20.30 H new ATOM 0 HE ARG A 73 11.810 9.394 0.723 1.00 72.51 H new ATOM 0 HH11 ARG A 73 10.180 9.787 3.828 1.00 54.33 H new ATOM 0 HH12 ARG A 73 11.623 9.383 4.765 1.00 54.33 H new ATOM 0 HH21 ARG A 73 13.649 8.870 1.947 1.00 14.13 H new ATOM 0 HH22 ARG A 73 13.563 8.870 3.711 1.00 14.13 H new ATOM 1013 N ASP A 74 6.678 13.898 0.111 1.00 20.22 N ATOM 1014 CA ASP A 74 5.773 14.895 -0.524 1.00 41.41 C ATOM 1015 C ASP A 74 4.460 14.996 0.230 1.00 14.12 C ATOM 1016 O ASP A 74 3.433 15.387 -0.327 1.00 31.31 O ATOM 1017 CB ASP A 74 5.479 14.548 -2.012 1.00 54.32 C ATOM 1018 CG ASP A 74 6.711 14.504 -2.889 1.00 33.41 C ATOM 1019 OD1 ASP A 74 7.381 15.557 -3.062 1.00 12.21 O ATOM 1020 OD2 ASP A 74 7.016 13.427 -3.451 1.00 11.43 O ATOM 0 H ASP A 74 7.565 14.302 0.413 1.00 20.22 H new ATOM 0 HA ASP A 74 6.291 15.853 -0.486 1.00 41.41 H new ATOM 0 HB2 ASP A 74 4.979 13.580 -2.057 1.00 54.32 H new ATOM 0 HB3 ASP A 74 4.784 15.285 -2.416 1.00 54.32 H new ATOM 1025 N GLY A 75 4.513 14.727 1.521 1.00 4.23 N ATOM 1026 CA GLY A 75 3.313 14.760 2.342 1.00 2.25 C ATOM 1027 C GLY A 75 2.467 13.507 2.180 1.00 51.01 C ATOM 1028 O GLY A 75 1.373 13.413 2.722 1.00 15.25 O ATOM 0 H GLY A 75 5.367 14.485 2.023 1.00 4.23 H new ATOM 0 HA2 GLY A 75 3.595 14.872 3.389 1.00 2.25 H new ATOM 0 HA3 GLY A 75 2.718 15.634 2.077 1.00 2.25 H new ATOM 1032 N ARG A 76 2.973 12.561 1.429 1.00 64.44 N ATOM 1033 CA ARG A 76 2.299 11.306 1.202 1.00 74.31 C ATOM 1034 C ARG A 76 3.018 10.263 2.009 1.00 43.03 C ATOM 1035 O ARG A 76 4.212 10.421 2.326 1.00 64.30 O ATOM 1036 CB ARG A 76 2.394 10.913 -0.282 1.00 64.14 C ATOM 1037 CG ARG A 76 1.917 11.978 -1.245 1.00 31.23 C ATOM 1038 CD ARG A 76 2.194 11.587 -2.691 1.00 71.40 C ATOM 1039 NE ARG A 76 1.357 10.486 -3.198 1.00 31.23 N ATOM 1040 CZ ARG A 76 1.555 9.878 -4.380 1.00 71.24 C ATOM 1041 NH1 ARG A 76 2.637 10.164 -5.101 1.00 33.05 N ATOM 1042 NH2 ARG A 76 0.676 8.983 -4.826 1.00 23.42 N ATOM 0 H ARG A 76 3.872 12.640 0.954 1.00 64.44 H new ATOM 0 HA ARG A 76 1.249 11.389 1.483 1.00 74.31 H new ATOM 0 HB2 ARG A 76 3.431 10.669 -0.514 1.00 64.14 H new ATOM 0 HB3 ARG A 76 1.809 10.007 -0.443 1.00 64.14 H new ATOM 0 HG2 ARG A 76 0.848 12.140 -1.109 1.00 31.23 H new ATOM 0 HG3 ARG A 76 2.414 12.922 -1.021 1.00 31.23 H new ATOM 0 HD2 ARG A 76 2.045 12.461 -3.325 1.00 71.40 H new ATOM 0 HD3 ARG A 76 3.242 11.301 -2.782 1.00 71.40 H new ATOM 0 HE ARG A 76 0.581 10.166 -2.618 1.00 31.23 H new ATOM 0 HH11 ARG A 76 3.315 10.844 -4.756 1.00 33.05 H new ATOM 0 HH12 ARG A 76 2.788 9.703 -5.998 1.00 33.05 H new ATOM 0 HH21 ARG A 76 -0.149 8.758 -4.270 1.00 23.42 H new ATOM 0 HH22 ARG A 76 0.828 8.522 -5.723 1.00 23.42 H new ATOM 1054 N TYR A 77 2.339 9.235 2.358 1.00 44.14 N ATOM 1055 CA TYR A 77 2.953 8.165 3.060 1.00 60.01 C ATOM 1056 C TYR A 77 3.152 6.970 2.188 1.00 0.11 C ATOM 1057 O TYR A 77 2.324 6.662 1.336 1.00 24.21 O ATOM 1058 CB TYR A 77 2.224 7.835 4.345 1.00 2.45 C ATOM 1059 CG TYR A 77 2.554 8.797 5.448 1.00 41.55 C ATOM 1060 CD1 TYR A 77 3.803 8.763 6.022 1.00 44.10 C ATOM 1061 CD2 TYR A 77 1.649 9.732 5.911 1.00 60.52 C ATOM 1062 CE1 TYR A 77 4.157 9.612 7.019 1.00 34.21 C ATOM 1063 CE2 TYR A 77 1.996 10.603 6.927 1.00 24.35 C ATOM 1064 CZ TYR A 77 3.257 10.536 7.475 1.00 51.33 C ATOM 1065 OH TYR A 77 3.614 11.394 8.488 1.00 1.13 O ATOM 0 H TYR A 77 1.345 9.108 2.167 1.00 44.14 H new ATOM 0 HA TYR A 77 3.947 8.502 3.353 1.00 60.01 H new ATOM 0 HB2 TYR A 77 1.149 7.847 4.164 1.00 2.45 H new ATOM 0 HB3 TYR A 77 2.483 6.824 4.658 1.00 2.45 H new ATOM 0 HD1 TYR A 77 4.523 8.040 5.669 1.00 44.10 H new ATOM 0 HD2 TYR A 77 0.662 9.783 5.476 1.00 60.52 H new ATOM 0 HE1 TYR A 77 5.145 9.559 7.451 1.00 34.21 H new ATOM 0 HE2 TYR A 77 1.284 11.330 7.288 1.00 24.35 H new ATOM 0 HH TYR A 77 2.862 11.988 8.694 1.00 1.13 H new ATOM 1075 N ILE A 78 4.258 6.314 2.369 1.00 20.22 N ATOM 1076 CA ILE A 78 4.563 5.161 1.575 1.00 0.24 C ATOM 1077 C ILE A 78 4.651 3.990 2.514 1.00 75.44 C ATOM 1078 O ILE A 78 5.504 3.968 3.396 1.00 22.33 O ATOM 1079 CB ILE A 78 5.919 5.315 0.818 1.00 4.53 C ATOM 1080 CG1 ILE A 78 5.985 6.656 0.043 1.00 53.32 C ATOM 1081 CG2 ILE A 78 6.114 4.149 -0.149 1.00 11.41 C ATOM 1082 CD1 ILE A 78 4.914 6.835 -1.019 1.00 15.41 C ATOM 0 H ILE A 78 4.966 6.558 3.061 1.00 20.22 H new ATOM 0 HA ILE A 78 3.787 5.026 0.822 1.00 0.24 H new ATOM 0 HB ILE A 78 6.718 5.312 1.559 1.00 4.53 H new ATOM 0 HG12 ILE A 78 5.908 7.476 0.757 1.00 53.32 H new ATOM 0 HG13 ILE A 78 6.963 6.737 -0.431 1.00 53.32 H new ATOM 0 HG21 ILE A 78 7.063 4.265 -0.673 1.00 11.41 H new ATOM 0 HG22 ILE A 78 6.119 3.212 0.407 1.00 11.41 H new ATOM 0 HG23 ILE A 78 5.299 4.137 -0.873 1.00 11.41 H new ATOM 0 HD11 ILE A 78 5.042 7.802 -1.506 1.00 15.41 H new ATOM 0 HD12 ILE A 78 5.001 6.041 -1.761 1.00 15.41 H new ATOM 0 HD13 ILE A 78 3.929 6.791 -0.554 1.00 15.41 H new ATOM 1089 N TYR A 79 3.779 3.049 2.340 1.00 34.32 N ATOM 1090 CA TYR A 79 3.699 1.914 3.212 1.00 44.44 C ATOM 1091 C TYR A 79 4.369 0.704 2.607 1.00 1.31 C ATOM 1092 O TYR A 79 4.079 0.309 1.466 1.00 51.44 O ATOM 1093 CB TYR A 79 2.242 1.593 3.541 1.00 44.14 C ATOM 1094 CG TYR A 79 1.499 2.705 4.256 1.00 50.33 C ATOM 1095 CD1 TYR A 79 1.523 2.793 5.634 1.00 3.24 C ATOM 1096 CD2 TYR A 79 0.765 3.655 3.550 1.00 1.41 C ATOM 1097 CE1 TYR A 79 0.847 3.792 6.297 1.00 23.54 C ATOM 1098 CE2 TYR A 79 0.086 4.663 4.209 1.00 74.03 C ATOM 1099 CZ TYR A 79 0.130 4.722 5.584 1.00 24.31 C ATOM 1100 OH TYR A 79 -0.549 5.723 6.256 1.00 1.22 O ATOM 0 H TYR A 79 3.095 3.044 1.583 1.00 34.32 H new ATOM 0 HA TYR A 79 4.225 2.169 4.132 1.00 44.44 H new ATOM 0 HB2 TYR A 79 1.717 1.359 2.615 1.00 44.14 H new ATOM 0 HB3 TYR A 79 2.212 0.696 4.160 1.00 44.14 H new ATOM 0 HD1 TYR A 79 2.083 2.064 6.202 1.00 3.24 H new ATOM 0 HD2 TYR A 79 0.726 3.604 2.472 1.00 1.41 H new ATOM 0 HE1 TYR A 79 0.880 3.845 7.375 1.00 23.54 H new ATOM 0 HE2 TYR A 79 -0.474 5.398 3.650 1.00 74.03 H new ATOM 0 HH TYR A 79 -1.421 5.386 6.550 1.00 1.22 H new ATOM 1110 N TYR A 80 5.274 0.153 3.351 1.00 53.44 N ATOM 1111 CA TYR A 80 5.955 -1.053 2.991 1.00 74.03 C ATOM 1112 C TYR A 80 5.528 -2.157 3.917 1.00 50.12 C ATOM 1113 O TYR A 80 5.974 -2.216 5.069 1.00 62.30 O ATOM 1114 CB TYR A 80 7.469 -0.869 3.068 1.00 64.50 C ATOM 1115 CG TYR A 80 8.023 0.110 2.073 1.00 3.34 C ATOM 1116 CD1 TYR A 80 8.069 1.472 2.335 1.00 73.24 C ATOM 1117 CD2 TYR A 80 8.490 -0.334 0.862 1.00 63.04 C ATOM 1118 CE1 TYR A 80 8.579 2.353 1.407 1.00 42.12 C ATOM 1119 CE2 TYR A 80 8.999 0.531 -0.067 1.00 12.41 C ATOM 1120 CZ TYR A 80 9.041 1.873 0.202 1.00 71.02 C ATOM 1121 OH TYR A 80 9.538 2.735 -0.740 1.00 50.31 O ATOM 0 H TYR A 80 5.569 0.538 4.249 1.00 53.44 H new ATOM 0 HA TYR A 80 5.696 -1.309 1.964 1.00 74.03 H new ATOM 0 HB2 TYR A 80 7.732 -0.537 4.072 1.00 64.50 H new ATOM 0 HB3 TYR A 80 7.949 -1.836 2.915 1.00 64.50 H new ATOM 0 HD1 TYR A 80 7.700 1.846 3.279 1.00 73.24 H new ATOM 0 HD2 TYR A 80 8.455 -1.390 0.637 1.00 63.04 H new ATOM 0 HE1 TYR A 80 8.616 3.411 1.623 1.00 42.12 H new ATOM 0 HE2 TYR A 80 9.367 0.156 -1.011 1.00 12.41 H new ATOM 0 HH TYR A 80 9.821 2.229 -1.530 1.00 50.31 H new ATOM 1131 N LEU A 81 4.637 -2.982 3.444 1.00 34.31 N ATOM 1132 CA LEU A 81 4.137 -4.091 4.212 1.00 14.43 C ATOM 1133 C LEU A 81 5.201 -5.173 4.266 1.00 2.44 C ATOM 1134 O LEU A 81 5.563 -5.748 3.230 1.00 43.53 O ATOM 1135 CB LEU A 81 2.839 -4.634 3.583 1.00 34.45 C ATOM 1136 CG LEU A 81 1.659 -3.644 3.472 1.00 2.13 C ATOM 1137 CD1 LEU A 81 0.520 -4.265 2.703 1.00 31.52 C ATOM 1138 CD2 LEU A 81 1.165 -3.223 4.850 1.00 1.12 C ATOM 0 H LEU A 81 4.234 -2.905 2.510 1.00 34.31 H new ATOM 0 HA LEU A 81 3.907 -3.762 5.225 1.00 14.43 H new ATOM 0 HB2 LEU A 81 3.072 -5.000 2.583 1.00 34.45 H new ATOM 0 HB3 LEU A 81 2.510 -5.493 4.168 1.00 34.45 H new ATOM 0 HG LEU A 81 2.017 -2.762 2.942 1.00 2.13 H new ATOM 0 HD11 LEU A 81 -0.303 -3.554 2.634 1.00 31.52 H new ATOM 0 HD12 LEU A 81 0.858 -4.527 1.700 1.00 31.52 H new ATOM 0 HD13 LEU A 81 0.181 -5.164 3.218 1.00 31.52 H new ATOM 0 HD21 LEU A 81 0.334 -2.526 4.741 1.00 1.12 H new ATOM 0 HD22 LEU A 81 0.831 -4.102 5.401 1.00 1.12 H new ATOM 0 HD23 LEU A 81 1.976 -2.739 5.395 1.00 1.12 H new ATOM 1146 N ILE A 82 5.737 -5.407 5.449 1.00 21.13 N ATOM 1147 CA ILE A 82 6.766 -6.405 5.642 1.00 54.14 C ATOM 1148 C ILE A 82 6.106 -7.791 5.657 1.00 21.13 C ATOM 1149 O ILE A 82 5.352 -8.125 6.585 1.00 63.44 O ATOM 1150 CB ILE A 82 7.511 -6.208 6.985 1.00 72.32 C ATOM 1151 CG1 ILE A 82 8.058 -4.768 7.162 1.00 32.52 C ATOM 1152 CG2 ILE A 82 8.655 -7.194 7.061 1.00 2.23 C ATOM 1153 CD1 ILE A 82 9.216 -4.379 6.257 1.00 61.51 C ATOM 0 H ILE A 82 5.471 -4.911 6.300 1.00 21.13 H new ATOM 0 HA ILE A 82 7.487 -6.312 4.830 1.00 54.14 H new ATOM 0 HB ILE A 82 6.794 -6.379 7.788 1.00 72.32 H new ATOM 0 HG12 ILE A 82 7.240 -4.067 6.994 1.00 32.52 H new ATOM 0 HG13 ILE A 82 8.375 -4.646 8.198 1.00 32.52 H new ATOM 0 HG21 ILE A 82 9.186 -7.063 8.004 1.00 2.23 H new ATOM 0 HG22 ILE A 82 8.264 -8.210 7.003 1.00 2.23 H new ATOM 0 HG23 ILE A 82 9.340 -7.021 6.231 1.00 2.23 H new ATOM 0 HD11 ILE A 82 9.515 -3.352 6.469 1.00 61.51 H new ATOM 0 HD12 ILE A 82 10.059 -5.047 6.437 1.00 61.51 H new ATOM 0 HD13 ILE A 82 8.906 -4.459 5.215 1.00 61.51 H new ATOM 1160 N THR A 83 6.379 -8.567 4.641 1.00 11.43 N ATOM 1161 CA THR A 83 5.771 -9.871 4.474 1.00 33.14 C ATOM 1162 C THR A 83 6.498 -10.995 5.228 1.00 50.31 C ATOM 1163 O THR A 83 6.060 -11.416 6.291 1.00 74.24 O ATOM 1164 CB THR A 83 5.656 -10.202 2.986 1.00 63.32 C ATOM 1165 OG1 THR A 83 6.932 -9.994 2.357 1.00 25.40 O ATOM 1166 CG2 THR A 83 4.598 -9.334 2.334 1.00 42.22 C ATOM 0 H THR A 83 7.032 -8.315 3.899 1.00 11.43 H new ATOM 0 HA THR A 83 4.778 -9.813 4.920 1.00 33.14 H new ATOM 0 HB THR A 83 5.360 -11.244 2.868 1.00 63.32 H new ATOM 0 HG1 THR A 83 7.016 -9.055 2.090 1.00 25.40 H new ATOM 0 HG21 THR A 83 4.527 -9.581 1.275 1.00 42.22 H new ATOM 0 HG22 THR A 83 3.635 -9.512 2.813 1.00 42.22 H new ATOM 0 HG23 THR A 83 4.870 -8.284 2.445 1.00 42.22 H new ATOM 1172 N LYS A 84 7.587 -11.472 4.662 1.00 63.30 N ATOM 1173 CA LYS A 84 8.420 -12.508 5.261 1.00 71.11 C ATOM 1174 C LYS A 84 9.869 -12.222 4.997 1.00 34.24 C ATOM 1175 O LYS A 84 10.185 -11.265 4.312 1.00 22.23 O ATOM 1176 CB LYS A 84 8.045 -13.930 4.804 1.00 53.04 C ATOM 1177 CG LYS A 84 6.769 -14.479 5.427 1.00 12.11 C ATOM 1178 CD LYS A 84 6.532 -15.922 5.021 1.00 44.51 C ATOM 1179 CE LYS A 84 5.333 -16.507 5.751 1.00 32.32 C ATOM 1180 NZ LYS A 84 5.076 -17.911 5.359 1.00 54.44 N ATOM 0 H LYS A 84 7.929 -11.149 3.757 1.00 63.30 H new ATOM 0 HA LYS A 84 8.236 -12.481 6.335 1.00 71.11 H new ATOM 0 HB2 LYS A 84 7.934 -13.932 3.720 1.00 53.04 H new ATOM 0 HB3 LYS A 84 8.869 -14.603 5.042 1.00 53.04 H new ATOM 0 HG2 LYS A 84 6.834 -14.411 6.513 1.00 12.11 H new ATOM 0 HG3 LYS A 84 5.920 -13.869 5.119 1.00 12.11 H new ATOM 0 HD2 LYS A 84 6.369 -15.978 3.945 1.00 44.51 H new ATOM 0 HD3 LYS A 84 7.420 -16.515 5.240 1.00 44.51 H new ATOM 0 HE2 LYS A 84 5.503 -16.456 6.826 1.00 32.32 H new ATOM 0 HE3 LYS A 84 4.450 -15.904 5.539 1.00 32.32 H new ATOM 0 HZ1 LYS A 84 4.176 -18.228 5.773 1.00 54.44 H new ATOM 0 HZ2 LYS A 84 5.023 -17.978 4.323 1.00 54.44 H new ATOM 0 HZ3 LYS A 84 5.848 -18.515 5.705 1.00 54.44 H new ATOM 1194 N LYS A 85 10.745 -13.048 5.532 1.00 23.43 N ATOM 1195 CA LYS A 85 12.187 -12.820 5.462 1.00 41.11 C ATOM 1196 C LYS A 85 12.717 -12.742 4.029 1.00 62.15 C ATOM 1197 O LYS A 85 13.430 -11.813 3.682 1.00 52.01 O ATOM 1198 CB LYS A 85 12.921 -13.924 6.223 1.00 71.13 C ATOM 1199 CG LYS A 85 14.441 -13.784 6.233 1.00 31.31 C ATOM 1200 CD LYS A 85 15.107 -14.957 6.935 1.00 0.22 C ATOM 1201 CE LYS A 85 14.715 -15.036 8.394 1.00 42.14 C ATOM 1202 NZ LYS A 85 15.305 -16.212 9.060 1.00 52.05 N ATOM 0 H LYS A 85 10.484 -13.899 6.030 1.00 23.43 H new ATOM 0 HA LYS A 85 12.375 -11.849 5.921 1.00 41.11 H new ATOM 0 HB2 LYS A 85 12.563 -13.937 7.253 1.00 71.13 H new ATOM 0 HB3 LYS A 85 12.660 -14.886 5.782 1.00 71.13 H new ATOM 0 HG2 LYS A 85 14.807 -13.717 5.209 1.00 31.31 H new ATOM 0 HG3 LYS A 85 14.718 -12.856 6.732 1.00 31.31 H new ATOM 0 HD2 LYS A 85 14.831 -15.885 6.434 1.00 0.22 H new ATOM 0 HD3 LYS A 85 16.190 -14.861 6.854 1.00 0.22 H new ATOM 0 HE2 LYS A 85 15.037 -14.129 8.906 1.00 42.14 H new ATOM 0 HE3 LYS A 85 13.629 -15.079 8.476 1.00 42.14 H new ATOM 0 HZ1 LYS A 85 15.012 -16.229 10.058 1.00 52.05 H new ATOM 0 HZ2 LYS A 85 14.978 -17.079 8.588 1.00 52.05 H new ATOM 0 HZ3 LYS A 85 16.342 -16.158 9.005 1.00 52.05 H new ATOM 1216 N ARG A 86 12.340 -13.688 3.199 1.00 75.35 N ATOM 1217 CA ARG A 86 12.887 -13.766 1.851 1.00 33.11 C ATOM 1218 C ARG A 86 11.759 -13.828 0.841 1.00 62.01 C ATOM 1219 O ARG A 86 10.685 -14.345 1.145 1.00 32.31 O ATOM 1220 CB ARG A 86 13.782 -15.007 1.722 1.00 53.11 C ATOM 1221 CG ARG A 86 14.942 -15.062 2.717 1.00 71.12 C ATOM 1222 CD ARG A 86 15.992 -13.973 2.476 1.00 0.44 C ATOM 1223 NE ARG A 86 16.761 -14.226 1.251 1.00 54.22 N ATOM 1224 CZ ARG A 86 17.888 -13.589 0.901 1.00 41.25 C ATOM 1225 NH1 ARG A 86 18.324 -12.546 1.614 1.00 44.43 N ATOM 1226 NH2 ARG A 86 18.575 -13.997 -0.171 1.00 24.23 N ATOM 0 H ARG A 86 11.660 -14.414 3.426 1.00 75.35 H new ATOM 0 HA ARG A 86 13.487 -12.877 1.656 1.00 33.11 H new ATOM 0 HB2 ARG A 86 13.167 -15.897 1.852 1.00 53.11 H new ATOM 0 HB3 ARG A 86 14.186 -15.044 0.710 1.00 53.11 H new ATOM 0 HG2 ARG A 86 14.550 -14.963 3.729 1.00 71.12 H new ATOM 0 HG3 ARG A 86 15.420 -16.040 2.655 1.00 71.12 H new ATOM 0 HD2 ARG A 86 15.501 -13.003 2.404 1.00 0.44 H new ATOM 0 HD3 ARG A 86 16.670 -13.925 3.328 1.00 0.44 H new ATOM 0 HE ARG A 86 16.410 -14.943 0.616 1.00 54.22 H new ATOM 0 HH11 ARG A 86 17.799 -12.230 2.429 1.00 44.43 H new ATOM 0 HH12 ARG A 86 19.182 -12.066 1.343 1.00 44.43 H new ATOM 0 HH21 ARG A 86 18.241 -14.790 -0.719 1.00 24.23 H new ATOM 0 HH22 ARG A 86 19.433 -13.515 -0.441 1.00 24.23 H new ATOM 1238 N ALA A 87 12.021 -13.335 -0.361 1.00 12.12 N ATOM 1239 CA ALA A 87 11.018 -13.246 -1.428 1.00 24.45 C ATOM 1240 C ALA A 87 10.587 -14.620 -1.957 1.00 72.43 C ATOM 1241 O ALA A 87 9.512 -14.768 -2.536 1.00 54.13 O ATOM 1242 CB ALA A 87 11.554 -12.392 -2.563 1.00 10.11 C ATOM 0 H ALA A 87 12.939 -12.982 -0.631 1.00 12.12 H new ATOM 0 HA ALA A 87 10.129 -12.783 -0.999 1.00 24.45 H new ATOM 0 HB1 ALA A 87 10.807 -12.328 -3.354 1.00 10.11 H new ATOM 0 HB2 ALA A 87 11.777 -11.392 -2.192 1.00 10.11 H new ATOM 0 HB3 ALA A 87 12.464 -12.843 -2.959 1.00 10.11 H new ATOM 1248 N SER A 88 11.415 -15.626 -1.754 1.00 23.52 N ATOM 1249 CA SER A 88 11.096 -16.954 -2.237 1.00 63.52 C ATOM 1250 C SER A 88 10.159 -17.688 -1.241 1.00 55.00 C ATOM 1251 O SER A 88 9.763 -18.839 -1.459 1.00 63.53 O ATOM 1252 CB SER A 88 12.385 -17.743 -2.513 1.00 12.14 C ATOM 1253 OG SER A 88 12.127 -18.984 -3.156 1.00 35.01 O ATOM 0 H SER A 88 12.306 -15.550 -1.263 1.00 23.52 H new ATOM 0 HA SER A 88 10.556 -16.871 -3.180 1.00 63.52 H new ATOM 0 HB2 SER A 88 13.049 -17.144 -3.136 1.00 12.14 H new ATOM 0 HB3 SER A 88 12.907 -17.924 -1.573 1.00 12.14 H new ATOM 0 HG SER A 88 11.282 -19.354 -2.825 1.00 35.01 H new ATOM 1259 N HIS A 89 9.802 -17.009 -0.164 1.00 21.31 N ATOM 1260 CA HIS A 89 8.868 -17.554 0.810 1.00 63.05 C ATOM 1261 C HIS A 89 7.530 -16.934 0.512 1.00 14.22 C ATOM 1262 O HIS A 89 7.475 -15.752 0.187 1.00 21.11 O ATOM 1263 CB HIS A 89 9.250 -17.167 2.263 1.00 54.03 C ATOM 1264 CG HIS A 89 10.608 -17.603 2.753 1.00 42.40 C ATOM 1265 ND1 HIS A 89 11.065 -17.298 4.016 1.00 30.04 N ATOM 1266 CD2 HIS A 89 11.615 -18.283 2.150 1.00 61.44 C ATOM 1267 CE1 HIS A 89 12.287 -17.757 4.167 1.00 4.34 C ATOM 1268 NE2 HIS A 89 12.645 -18.360 3.053 1.00 75.53 N ATOM 0 H HIS A 89 10.146 -16.075 0.060 1.00 21.31 H new ATOM 0 HA HIS A 89 8.869 -18.642 0.737 1.00 63.05 H new ATOM 0 HB2 HIS A 89 9.190 -16.082 2.352 1.00 54.03 H new ATOM 0 HB3 HIS A 89 8.498 -17.584 2.933 1.00 54.03 H new ATOM 0 HD2 HIS A 89 11.607 -18.687 1.149 1.00 61.44 H new ATOM 0 HE1 HIS A 89 12.894 -17.657 5.054 1.00 4.34 H new ATOM 0 HE2 HIS A 89 13.544 -18.812 2.888 1.00 75.53 H new ATOM 1277 N LYS A 90 6.468 -17.687 0.588 1.00 41.40 N ATOM 1278 CA LYS A 90 5.176 -17.096 0.359 1.00 44.13 C ATOM 1279 C LYS A 90 4.625 -16.570 1.676 1.00 73.04 C ATOM 1280 O LYS A 90 4.606 -17.295 2.688 1.00 64.23 O ATOM 1281 CB LYS A 90 4.185 -18.071 -0.315 1.00 74.51 C ATOM 1282 CG LYS A 90 3.789 -19.277 0.515 1.00 34.44 C ATOM 1283 CD LYS A 90 2.832 -20.174 -0.244 1.00 33.52 C ATOM 1284 CE LYS A 90 2.357 -21.336 0.613 1.00 33.35 C ATOM 1285 NZ LYS A 90 1.577 -20.880 1.790 1.00 20.23 N ATOM 0 H LYS A 90 6.466 -18.685 0.801 1.00 41.40 H new ATOM 0 HA LYS A 90 5.302 -16.269 -0.340 1.00 44.13 H new ATOM 0 HB2 LYS A 90 3.282 -17.520 -0.577 1.00 74.51 H new ATOM 0 HB3 LYS A 90 4.626 -18.423 -1.248 1.00 74.51 H new ATOM 0 HG2 LYS A 90 4.680 -19.841 0.790 1.00 34.44 H new ATOM 0 HG3 LYS A 90 3.323 -18.946 1.443 1.00 34.44 H new ATOM 0 HD2 LYS A 90 1.973 -19.592 -0.577 1.00 33.52 H new ATOM 0 HD3 LYS A 90 3.323 -20.557 -1.138 1.00 33.52 H new ATOM 0 HE2 LYS A 90 1.743 -22.004 0.009 1.00 33.35 H new ATOM 0 HE3 LYS A 90 3.218 -21.912 0.951 1.00 33.35 H new ATOM 0 HZ1 LYS A 90 1.051 -21.683 2.190 1.00 20.23 H new ATOM 0 HZ2 LYS A 90 2.224 -20.498 2.509 1.00 20.23 H new ATOM 0 HZ3 LYS A 90 0.909 -20.139 1.498 1.00 20.23 H new ATOM 1299 N PRO A 91 4.241 -15.295 1.719 1.00 70.22 N ATOM 1300 CA PRO A 91 3.647 -14.712 2.902 1.00 42.41 C ATOM 1301 C PRO A 91 2.330 -15.379 3.263 1.00 14.44 C ATOM 1302 O PRO A 91 1.629 -15.924 2.404 1.00 72.20 O ATOM 1303 CB PRO A 91 3.408 -13.243 2.538 1.00 31.51 C ATOM 1304 CG PRO A 91 3.510 -13.172 1.057 1.00 64.21 C ATOM 1305 CD PRO A 91 4.386 -14.314 0.626 1.00 14.04 C ATOM 0 HA PRO A 91 4.296 -14.836 3.769 1.00 42.41 H new ATOM 0 HB2 PRO A 91 2.428 -12.910 2.879 1.00 31.51 H new ATOM 0 HB3 PRO A 91 4.147 -12.597 3.012 1.00 31.51 H new ATOM 0 HG2 PRO A 91 2.524 -13.246 0.598 1.00 64.21 H new ATOM 0 HG3 PRO A 91 3.936 -12.219 0.744 1.00 64.21 H new ATOM 0 HD2 PRO A 91 4.064 -14.728 -0.329 1.00 14.04 H new ATOM 0 HD3 PRO A 91 5.423 -14.000 0.504 1.00 14.04 H new ATOM 1313 N THR A 92 2.020 -15.366 4.518 1.00 21.34 N ATOM 1314 CA THR A 92 0.791 -15.893 4.978 1.00 51.23 C ATOM 1315 C THR A 92 -0.135 -14.695 5.173 1.00 1.43 C ATOM 1316 O THR A 92 0.358 -13.560 5.368 1.00 3.45 O ATOM 1317 CB THR A 92 1.024 -16.611 6.330 1.00 53.33 C ATOM 1318 OG1 THR A 92 2.130 -17.517 6.187 1.00 33.41 O ATOM 1319 CG2 THR A 92 -0.201 -17.401 6.776 1.00 74.24 C ATOM 0 H THR A 92 2.619 -14.986 5.251 1.00 21.34 H new ATOM 0 HA THR A 92 0.363 -16.611 4.278 1.00 51.23 H new ATOM 0 HB THR A 92 1.228 -15.851 7.084 1.00 53.33 H new ATOM 0 HG1 THR A 92 2.288 -17.977 7.038 1.00 33.41 H new ATOM 0 HG21 THR A 92 0.007 -17.888 7.729 1.00 74.24 H new ATOM 0 HG22 THR A 92 -1.048 -16.725 6.892 1.00 74.24 H new ATOM 0 HG23 THR A 92 -0.440 -18.156 6.027 1.00 74.24 H new ATOM 1325 N TYR A 93 -1.437 -14.906 5.122 1.00 74.44 N ATOM 1326 CA TYR A 93 -2.375 -13.809 5.325 1.00 5.20 C ATOM 1327 C TYR A 93 -2.226 -13.228 6.703 1.00 21.52 C ATOM 1328 O TYR A 93 -2.409 -12.053 6.891 1.00 32.41 O ATOM 1329 CB TYR A 93 -3.816 -14.215 5.031 1.00 54.35 C ATOM 1330 CG TYR A 93 -4.006 -14.602 3.604 1.00 23.24 C ATOM 1331 CD1 TYR A 93 -4.137 -13.632 2.630 1.00 45.45 C ATOM 1332 CD2 TYR A 93 -4.018 -15.931 3.218 1.00 4.53 C ATOM 1333 CE1 TYR A 93 -4.284 -13.972 1.317 1.00 43.25 C ATOM 1334 CE2 TYR A 93 -4.157 -16.281 1.895 1.00 74.24 C ATOM 1335 CZ TYR A 93 -4.288 -15.293 0.952 1.00 12.24 C ATOM 1336 OH TYR A 93 -4.425 -15.623 -0.363 1.00 10.12 O ATOM 0 H TYR A 93 -1.869 -15.813 4.944 1.00 74.44 H new ATOM 0 HA TYR A 93 -2.126 -13.030 4.604 1.00 5.20 H new ATOM 0 HB2 TYR A 93 -4.096 -15.050 5.674 1.00 54.35 H new ATOM 0 HB3 TYR A 93 -4.483 -13.388 5.274 1.00 54.35 H new ATOM 0 HD1 TYR A 93 -4.123 -12.589 2.912 1.00 45.45 H new ATOM 0 HD2 TYR A 93 -3.917 -16.704 3.966 1.00 4.53 H new ATOM 0 HE1 TYR A 93 -4.397 -13.203 0.568 1.00 43.25 H new ATOM 0 HE2 TYR A 93 -4.163 -17.321 1.602 1.00 74.24 H new ATOM 0 HH TYR A 93 -4.668 -16.569 -0.439 1.00 10.12 H new ATOM 1346 N GLU A 94 -1.861 -14.075 7.646 1.00 65.42 N ATOM 1347 CA GLU A 94 -1.579 -13.674 9.012 1.00 0.34 C ATOM 1348 C GLU A 94 -0.526 -12.550 9.048 1.00 75.53 C ATOM 1349 O GLU A 94 -0.746 -11.511 9.669 1.00 21.24 O ATOM 1350 CB GLU A 94 -1.090 -14.893 9.800 1.00 25.32 C ATOM 1351 CG GLU A 94 -0.716 -14.611 11.240 1.00 23.41 C ATOM 1352 CD GLU A 94 -0.268 -15.851 11.957 1.00 31.44 C ATOM 1353 OE1 GLU A 94 0.903 -16.246 11.824 1.00 73.22 O ATOM 1354 OE2 GLU A 94 -1.084 -16.466 12.668 1.00 23.42 O ATOM 0 H GLU A 94 -1.750 -15.076 7.483 1.00 65.42 H new ATOM 0 HA GLU A 94 -2.491 -13.288 9.467 1.00 0.34 H new ATOM 0 HB2 GLU A 94 -1.870 -15.655 9.784 1.00 25.32 H new ATOM 0 HB3 GLU A 94 -0.223 -15.314 9.290 1.00 25.32 H new ATOM 0 HG2 GLU A 94 0.081 -13.868 11.269 1.00 23.41 H new ATOM 0 HG3 GLU A 94 -1.572 -14.181 11.760 1.00 23.41 H new ATOM 1361 N ASN A 95 0.594 -12.756 8.341 1.00 73.53 N ATOM 1362 CA ASN A 95 1.689 -11.768 8.326 1.00 42.54 C ATOM 1363 C ASN A 95 1.212 -10.485 7.688 1.00 22.24 C ATOM 1364 O ASN A 95 1.446 -9.386 8.203 1.00 51.41 O ATOM 1365 CB ASN A 95 2.907 -12.262 7.522 1.00 13.53 C ATOM 1366 CG ASN A 95 3.413 -13.619 7.933 1.00 34.31 C ATOM 1367 OD1 ASN A 95 3.026 -14.633 7.350 1.00 33.23 O ATOM 1368 ND2 ASN A 95 4.238 -13.665 8.933 1.00 63.42 N ATOM 0 H ASN A 95 0.768 -13.588 7.777 1.00 73.53 H new ATOM 0 HA ASN A 95 1.986 -11.612 9.363 1.00 42.54 H new ATOM 0 HB2 ASN A 95 2.642 -12.291 6.465 1.00 13.53 H new ATOM 0 HB3 ASN A 95 3.715 -11.538 7.628 1.00 13.53 H new ATOM 0 HD21 ASN A 95 4.590 -14.564 9.263 1.00 63.42 H new ATOM 0 HD22 ASN A 95 4.535 -12.802 9.389 1.00 63.42 H new ATOM 1374 N LEU A 96 0.529 -10.635 6.563 1.00 62.42 N ATOM 1375 CA LEU A 96 0.039 -9.508 5.804 1.00 22.35 C ATOM 1376 C LEU A 96 -0.999 -8.727 6.607 1.00 20.32 C ATOM 1377 O LEU A 96 -0.974 -7.508 6.632 1.00 44.14 O ATOM 1378 CB LEU A 96 -0.566 -9.980 4.474 1.00 63.44 C ATOM 1379 CG LEU A 96 -1.072 -8.877 3.536 1.00 10.53 C ATOM 1380 CD1 LEU A 96 0.068 -7.967 3.111 1.00 51.34 C ATOM 1381 CD2 LEU A 96 -1.759 -9.474 2.325 1.00 33.21 C ATOM 0 H LEU A 96 0.302 -11.542 6.156 1.00 62.42 H new ATOM 0 HA LEU A 96 0.880 -8.848 5.592 1.00 22.35 H new ATOM 0 HB2 LEU A 96 0.185 -10.564 3.943 1.00 63.44 H new ATOM 0 HB3 LEU A 96 -1.396 -10.652 4.693 1.00 63.44 H new ATOM 0 HG LEU A 96 -1.802 -8.278 4.081 1.00 10.53 H new ATOM 0 HD11 LEU A 96 -0.314 -7.192 2.446 1.00 51.34 H new ATOM 0 HD12 LEU A 96 0.511 -7.503 3.992 1.00 51.34 H new ATOM 0 HD13 LEU A 96 0.825 -8.552 2.589 1.00 51.34 H new ATOM 0 HD21 LEU A 96 -2.110 -8.673 1.674 1.00 33.21 H new ATOM 0 HD22 LEU A 96 -1.055 -10.102 1.780 1.00 33.21 H new ATOM 0 HD23 LEU A 96 -2.608 -10.077 2.648 1.00 33.21 H new ATOM 1389 N GLN A 97 -1.884 -9.452 7.279 1.00 14.11 N ATOM 1390 CA GLN A 97 -2.956 -8.875 8.080 1.00 12.14 C ATOM 1391 C GLN A 97 -2.407 -7.938 9.123 1.00 34.44 C ATOM 1392 O GLN A 97 -2.846 -6.797 9.228 1.00 51.44 O ATOM 1393 CB GLN A 97 -3.745 -9.985 8.765 1.00 53.21 C ATOM 1394 CG GLN A 97 -4.905 -9.500 9.605 1.00 55.14 C ATOM 1395 CD GLN A 97 -5.649 -10.638 10.261 1.00 63.11 C ATOM 1396 OE1 GLN A 97 -5.077 -11.679 10.580 1.00 10.24 O ATOM 1397 NE2 GLN A 97 -6.915 -10.456 10.468 1.00 34.34 N ATOM 0 H GLN A 97 -1.877 -10.472 7.283 1.00 14.11 H new ATOM 0 HA GLN A 97 -3.610 -8.312 7.415 1.00 12.14 H new ATOM 0 HB2 GLN A 97 -4.124 -10.668 8.004 1.00 53.21 H new ATOM 0 HB3 GLN A 97 -3.068 -10.558 9.399 1.00 53.21 H new ATOM 0 HG2 GLN A 97 -4.536 -8.819 10.372 1.00 55.14 H new ATOM 0 HG3 GLN A 97 -5.593 -8.932 8.978 1.00 55.14 H new ATOM 0 HE21 GLN A 97 -7.356 -9.579 10.190 1.00 34.34 H new ATOM 0 HE22 GLN A 97 -7.470 -11.189 10.909 1.00 34.34 H new ATOM 1405 N LYS A 98 -1.422 -8.412 9.866 1.00 52.43 N ATOM 1406 CA LYS A 98 -0.834 -7.636 10.941 1.00 24.34 C ATOM 1407 C LYS A 98 -0.183 -6.371 10.388 1.00 33.14 C ATOM 1408 O LYS A 98 -0.192 -5.310 11.031 1.00 33.25 O ATOM 1409 CB LYS A 98 0.194 -8.479 11.717 1.00 62.22 C ATOM 1410 CG LYS A 98 -0.347 -9.821 12.222 1.00 24.43 C ATOM 1411 CD LYS A 98 -1.620 -9.664 13.038 1.00 62.12 C ATOM 1412 CE LYS A 98 -1.391 -8.853 14.290 1.00 3.32 C ATOM 1413 NZ LYS A 98 -2.655 -8.569 14.986 1.00 34.30 N ATOM 0 H LYS A 98 -1.011 -9.337 9.742 1.00 52.43 H new ATOM 0 HA LYS A 98 -1.626 -7.344 11.630 1.00 24.34 H new ATOM 0 HB2 LYS A 98 1.054 -8.666 11.074 1.00 62.22 H new ATOM 0 HB3 LYS A 98 0.553 -7.901 12.569 1.00 62.22 H new ATOM 0 HG2 LYS A 98 -0.542 -10.474 11.371 1.00 24.43 H new ATOM 0 HG3 LYS A 98 0.413 -10.310 12.831 1.00 24.43 H new ATOM 0 HD2 LYS A 98 -2.385 -9.182 12.428 1.00 62.12 H new ATOM 0 HD3 LYS A 98 -2.001 -10.649 13.308 1.00 62.12 H new ATOM 0 HE2 LYS A 98 -0.720 -9.394 14.958 1.00 3.32 H new ATOM 0 HE3 LYS A 98 -0.897 -7.916 14.033 1.00 3.32 H new ATOM 0 HZ1 LYS A 98 -2.456 -8.290 15.968 1.00 34.30 H new ATOM 0 HZ2 LYS A 98 -3.153 -7.796 14.500 1.00 34.30 H new ATOM 0 HZ3 LYS A 98 -3.252 -9.421 14.983 1.00 34.30 H new ATOM 1427 N SER A 99 0.337 -6.478 9.191 1.00 12.32 N ATOM 1428 CA SER A 99 0.977 -5.380 8.542 1.00 62.52 C ATOM 1429 C SER A 99 -0.100 -4.377 8.021 1.00 62.41 C ATOM 1430 O SER A 99 0.071 -3.151 8.115 1.00 45.32 O ATOM 1431 CB SER A 99 1.881 -5.915 7.414 1.00 23.53 C ATOM 1432 OG SER A 99 2.702 -4.911 6.890 1.00 32.24 O ATOM 0 H SER A 99 0.324 -7.338 8.643 1.00 12.32 H new ATOM 0 HA SER A 99 1.610 -4.836 9.243 1.00 62.52 H new ATOM 0 HB2 SER A 99 2.499 -6.727 7.797 1.00 23.53 H new ATOM 0 HB3 SER A 99 1.263 -6.332 6.619 1.00 23.53 H new ATOM 0 HG SER A 99 3.613 -5.020 7.234 1.00 32.24 H new ATOM 1438 N LEU A 100 -1.224 -4.914 7.517 1.00 42.42 N ATOM 1439 CA LEU A 100 -2.355 -4.096 7.036 1.00 23.23 C ATOM 1440 C LEU A 100 -2.922 -3.265 8.172 1.00 4.42 C ATOM 1441 O LEU A 100 -3.267 -2.085 8.001 1.00 50.01 O ATOM 1442 CB LEU A 100 -3.488 -4.981 6.476 1.00 53.23 C ATOM 1443 CG LEU A 100 -3.175 -5.857 5.260 1.00 34.03 C ATOM 1444 CD1 LEU A 100 -4.389 -6.691 4.892 1.00 0.34 C ATOM 1445 CD2 LEU A 100 -2.749 -5.010 4.078 1.00 63.30 C ATOM 0 H LEU A 100 -1.376 -5.919 7.431 1.00 42.42 H new ATOM 0 HA LEU A 100 -1.975 -3.451 6.244 1.00 23.23 H new ATOM 0 HB2 LEU A 100 -3.832 -5.633 7.279 1.00 53.23 H new ATOM 0 HB3 LEU A 100 -4.323 -4.331 6.214 1.00 53.23 H new ATOM 0 HG LEU A 100 -2.350 -6.521 5.520 1.00 34.03 H new ATOM 0 HD11 LEU A 100 -4.156 -7.310 4.026 1.00 0.34 H new ATOM 0 HD12 LEU A 100 -4.660 -7.330 5.733 1.00 0.34 H new ATOM 0 HD13 LEU A 100 -5.224 -6.032 4.653 1.00 0.34 H new ATOM 0 HD21 LEU A 100 -2.532 -5.656 3.227 1.00 63.30 H new ATOM 0 HD22 LEU A 100 -3.552 -4.321 3.816 1.00 63.30 H new ATOM 0 HD23 LEU A 100 -1.856 -4.443 4.340 1.00 63.30 H new ATOM 1453 N GLU A 101 -2.993 -3.884 9.332 1.00 15.42 N ATOM 1454 CA GLU A 101 -3.546 -3.243 10.532 1.00 12.12 C ATOM 1455 C GLU A 101 -2.705 -2.057 10.934 1.00 42.31 C ATOM 1456 O GLU A 101 -3.228 -1.015 11.360 1.00 10.22 O ATOM 1457 CB GLU A 101 -3.632 -4.210 11.709 1.00 51.05 C ATOM 1458 CG GLU A 101 -4.510 -5.421 11.489 1.00 55.41 C ATOM 1459 CD GLU A 101 -4.595 -6.270 12.728 1.00 35.14 C ATOM 1460 OE1 GLU A 101 -3.654 -7.036 13.008 1.00 2.25 O ATOM 1461 OE2 GLU A 101 -5.587 -6.147 13.474 1.00 70.24 O ATOM 0 H GLU A 101 -2.674 -4.841 9.481 1.00 15.42 H new ATOM 0 HA GLU A 101 -4.555 -2.917 10.278 1.00 12.12 H new ATOM 0 HB2 GLU A 101 -2.626 -4.551 11.952 1.00 51.05 H new ATOM 0 HB3 GLU A 101 -4.003 -3.666 12.578 1.00 51.05 H new ATOM 0 HG2 GLU A 101 -5.510 -5.099 11.197 1.00 55.41 H new ATOM 0 HG3 GLU A 101 -4.113 -6.015 10.666 1.00 55.41 H new ATOM 1468 N ALA A 102 -1.405 -2.205 10.769 1.00 42.05 N ATOM 1469 CA ALA A 102 -0.468 -1.167 11.109 1.00 2.42 C ATOM 1470 C ALA A 102 -0.692 0.065 10.241 1.00 42.35 C ATOM 1471 O ALA A 102 -0.562 1.197 10.715 1.00 44.30 O ATOM 1472 CB ALA A 102 0.953 -1.676 10.987 1.00 63.25 C ATOM 0 H ALA A 102 -0.974 -3.051 10.395 1.00 42.05 H new ATOM 0 HA ALA A 102 -0.632 -0.876 12.146 1.00 2.42 H new ATOM 0 HB1 ALA A 102 1.649 -0.878 11.248 1.00 63.25 H new ATOM 0 HB2 ALA A 102 1.097 -2.519 11.663 1.00 63.25 H new ATOM 0 HB3 ALA A 102 1.137 -1.998 9.962 1.00 63.25 H new ATOM 1478 N MET A 103 -1.064 -0.154 8.973 1.00 24.44 N ATOM 1479 CA MET A 103 -1.361 0.959 8.075 1.00 25.14 C ATOM 1480 C MET A 103 -2.599 1.672 8.540 1.00 74.53 C ATOM 1481 O MET A 103 -2.631 2.893 8.609 1.00 1.35 O ATOM 1482 CB MET A 103 -1.596 0.523 6.625 1.00 63.40 C ATOM 1483 CG MET A 103 -0.451 -0.180 5.949 1.00 42.13 C ATOM 1484 SD MET A 103 -0.748 -0.396 4.173 1.00 24.00 S ATOM 1485 CE MET A 103 -2.278 -1.329 4.160 1.00 11.43 C ATOM 0 H MET A 103 -1.164 -1.079 8.555 1.00 24.44 H new ATOM 0 HA MET A 103 -0.485 1.607 8.100 1.00 25.14 H new ATOM 0 HB2 MET A 103 -2.464 -0.136 6.602 1.00 63.40 H new ATOM 0 HB3 MET A 103 -1.850 1.406 6.039 1.00 63.40 H new ATOM 0 HG2 MET A 103 0.465 0.392 6.097 1.00 42.13 H new ATOM 0 HG3 MET A 103 -0.298 -1.154 6.413 1.00 42.13 H new ATOM 0 HE1 MET A 103 -2.181 -2.178 3.483 1.00 11.43 H new ATOM 0 HE2 MET A 103 -2.493 -1.690 5.166 1.00 11.43 H new ATOM 0 HE3 MET A 103 -3.092 -0.688 3.823 1.00 11.43 H new ATOM 1495 N LYS A 104 -3.615 0.892 8.871 1.00 43.44 N ATOM 1496 CA LYS A 104 -4.892 1.415 9.293 1.00 61.21 C ATOM 1497 C LYS A 104 -4.743 2.247 10.560 1.00 72.14 C ATOM 1498 O LYS A 104 -5.220 3.370 10.618 1.00 70.35 O ATOM 1499 CB LYS A 104 -5.900 0.267 9.425 1.00 45.12 C ATOM 1500 CG LYS A 104 -7.374 0.701 9.540 1.00 64.12 C ATOM 1501 CD LYS A 104 -7.752 1.247 10.893 1.00 43.21 C ATOM 1502 CE LYS A 104 -7.505 0.203 11.910 1.00 60.53 C ATOM 1503 NZ LYS A 104 -8.125 0.511 13.225 1.00 24.50 N ATOM 0 H LYS A 104 -3.571 -0.127 8.852 1.00 43.44 H new ATOM 0 HA LYS A 104 -5.285 2.096 8.538 1.00 61.21 H new ATOM 0 HB2 LYS A 104 -5.797 -0.388 8.560 1.00 45.12 H new ATOM 0 HB3 LYS A 104 -5.642 -0.323 10.304 1.00 45.12 H new ATOM 0 HG2 LYS A 104 -7.578 1.460 8.784 1.00 64.12 H new ATOM 0 HG3 LYS A 104 -8.012 -0.154 9.314 1.00 64.12 H new ATOM 0 HD2 LYS A 104 -7.167 2.139 11.117 1.00 43.21 H new ATOM 0 HD3 LYS A 104 -8.801 1.543 10.902 1.00 43.21 H new ATOM 0 HE2 LYS A 104 -7.893 -0.749 11.546 1.00 60.53 H new ATOM 0 HE3 LYS A 104 -6.430 0.080 12.042 1.00 60.53 H new ATOM 0 HZ1 LYS A 104 -7.917 -0.257 13.895 1.00 24.50 H new ATOM 0 HZ2 LYS A 104 -7.738 1.404 13.591 1.00 24.50 H new ATOM 0 HZ3 LYS A 104 -9.155 0.601 13.111 1.00 24.50 H new ATOM 1517 N SER A 105 -4.033 1.717 11.540 1.00 11.13 N ATOM 1518 CA SER A 105 -3.792 2.435 12.787 1.00 33.33 C ATOM 1519 C SER A 105 -2.999 3.741 12.517 1.00 75.44 C ATOM 1520 O SER A 105 -3.282 4.789 13.101 1.00 52.22 O ATOM 1521 CB SER A 105 -3.039 1.516 13.778 1.00 74.54 C ATOM 1522 OG SER A 105 -2.791 2.150 15.030 1.00 34.31 O ATOM 0 H SER A 105 -3.611 0.789 11.500 1.00 11.13 H new ATOM 0 HA SER A 105 -4.747 2.715 13.232 1.00 33.33 H new ATOM 0 HB2 SER A 105 -3.622 0.610 13.943 1.00 74.54 H new ATOM 0 HB3 SER A 105 -2.091 1.209 13.336 1.00 74.54 H new ATOM 0 HG SER A 105 -2.315 1.530 15.622 1.00 34.31 H new ATOM 1528 N HIS A 106 -2.043 3.665 11.598 1.00 41.04 N ATOM 1529 CA HIS A 106 -1.207 4.814 11.238 1.00 3.02 C ATOM 1530 C HIS A 106 -2.023 5.908 10.529 1.00 34.45 C ATOM 1531 O HIS A 106 -1.865 7.101 10.814 1.00 1.45 O ATOM 1532 CB HIS A 106 -0.048 4.356 10.323 1.00 44.53 C ATOM 1533 CG HIS A 106 0.847 5.464 9.838 1.00 71.41 C ATOM 1534 ND1 HIS A 106 0.648 6.115 8.642 1.00 61.44 N ATOM 1535 CD2 HIS A 106 1.937 6.034 10.387 1.00 70.51 C ATOM 1536 CE1 HIS A 106 1.558 7.030 8.484 1.00 1.04 C ATOM 1537 NE2 HIS A 106 2.359 7.006 9.524 1.00 12.14 N ATOM 0 H HIS A 106 -1.823 2.813 11.082 1.00 41.04 H new ATOM 0 HA HIS A 106 -0.806 5.235 12.160 1.00 3.02 H new ATOM 0 HB2 HIS A 106 0.558 3.629 10.864 1.00 44.53 H new ATOM 0 HB3 HIS A 106 -0.468 3.842 9.458 1.00 44.53 H new ATOM 0 HD1 HIS A 106 -0.100 5.911 7.980 1.00 61.44 H new ATOM 0 HD2 HIS A 106 2.392 5.772 11.331 1.00 70.51 H new ATOM 0 HE1 HIS A 106 1.641 7.698 7.639 1.00 1.04 H new ATOM 1546 N CYS A 107 -2.883 5.493 9.615 1.00 12.20 N ATOM 1547 CA CYS A 107 -3.642 6.414 8.787 1.00 5.23 C ATOM 1548 C CYS A 107 -4.505 7.384 9.577 1.00 13.13 C ATOM 1549 O CYS A 107 -4.374 8.586 9.394 1.00 14.41 O ATOM 1550 CB CYS A 107 -4.451 5.686 7.727 1.00 13.22 C ATOM 1551 SG CYS A 107 -3.450 4.783 6.534 1.00 71.33 S ATOM 0 H CYS A 107 -3.075 4.509 9.426 1.00 12.20 H new ATOM 0 HA CYS A 107 -2.896 7.027 8.281 1.00 5.23 H new ATOM 0 HB2 CYS A 107 -5.130 4.989 8.218 1.00 13.22 H new ATOM 0 HB3 CYS A 107 -5.068 6.410 7.194 1.00 13.22 H new ATOM 0 HG CYS A 107 -2.772 3.859 7.148 1.00 71.33 H new ATOM 1557 N LEU A 108 -5.360 6.884 10.465 1.00 65.33 N ATOM 1558 CA LEU A 108 -6.249 7.777 11.226 1.00 51.41 C ATOM 1559 C LEU A 108 -5.465 8.731 12.101 1.00 33.35 C ATOM 1560 O LEU A 108 -5.783 9.917 12.183 1.00 33.34 O ATOM 1561 CB LEU A 108 -7.306 7.027 12.081 1.00 5.44 C ATOM 1562 CG LEU A 108 -8.383 6.205 11.346 1.00 20.14 C ATOM 1563 CD1 LEU A 108 -9.074 7.020 10.275 1.00 20.35 C ATOM 1564 CD2 LEU A 108 -7.843 4.913 10.794 1.00 71.53 C ATOM 0 H LEU A 108 -5.461 5.891 10.677 1.00 65.33 H new ATOM 0 HA LEU A 108 -6.794 8.344 10.471 1.00 51.41 H new ATOM 0 HB2 LEU A 108 -6.774 6.354 12.754 1.00 5.44 H new ATOM 0 HB3 LEU A 108 -7.815 7.763 12.703 1.00 5.44 H new ATOM 0 HG LEU A 108 -9.132 5.939 12.092 1.00 20.14 H new ATOM 0 HD11 LEU A 108 -9.826 6.406 9.779 1.00 20.35 H new ATOM 0 HD12 LEU A 108 -9.555 7.886 10.730 1.00 20.35 H new ATOM 0 HD13 LEU A 108 -8.340 7.356 9.543 1.00 20.35 H new ATOM 0 HD21 LEU A 108 -8.642 4.372 10.286 1.00 71.53 H new ATOM 0 HD22 LEU A 108 -7.042 5.126 10.086 1.00 71.53 H new ATOM 0 HD23 LEU A 108 -7.454 4.303 11.609 1.00 71.53 H new ATOM 1572 N LYS A 109 -4.418 8.222 12.712 1.00 12.33 N ATOM 1573 CA LYS A 109 -3.614 8.993 13.625 1.00 5.42 C ATOM 1574 C LYS A 109 -2.784 10.080 12.902 1.00 22.05 C ATOM 1575 O LYS A 109 -2.451 11.112 13.487 1.00 32.02 O ATOM 1576 CB LYS A 109 -2.757 8.040 14.468 1.00 3.55 C ATOM 1577 CG LYS A 109 -1.941 8.700 15.551 1.00 24.02 C ATOM 1578 CD LYS A 109 -1.419 7.677 16.554 1.00 71.52 C ATOM 1579 CE LYS A 109 -0.516 6.640 15.919 1.00 64.20 C ATOM 1580 NZ LYS A 109 -0.034 5.652 16.904 1.00 43.13 N ATOM 0 H LYS A 109 -4.102 7.260 12.587 1.00 12.33 H new ATOM 0 HA LYS A 109 -4.269 9.547 14.298 1.00 5.42 H new ATOM 0 HB2 LYS A 109 -3.411 7.299 14.928 1.00 3.55 H new ATOM 0 HB3 LYS A 109 -2.082 7.500 13.804 1.00 3.55 H new ATOM 0 HG2 LYS A 109 -1.103 9.234 15.103 1.00 24.02 H new ATOM 0 HG3 LYS A 109 -2.551 9.441 16.068 1.00 24.02 H new ATOM 0 HD2 LYS A 109 -0.872 8.194 17.342 1.00 71.52 H new ATOM 0 HD3 LYS A 109 -2.263 7.176 17.028 1.00 71.52 H new ATOM 0 HE2 LYS A 109 -1.056 6.126 15.124 1.00 64.20 H new ATOM 0 HE3 LYS A 109 0.337 7.136 15.456 1.00 64.20 H new ATOM 0 HZ1 LYS A 109 0.581 4.960 16.429 1.00 43.13 H new ATOM 0 HZ2 LYS A 109 0.504 6.139 17.649 1.00 43.13 H new ATOM 0 HZ3 LYS A 109 -0.846 5.160 17.328 1.00 43.13 H new ATOM 1594 N ASN A 110 -2.458 9.852 11.636 1.00 12.24 N ATOM 1595 CA ASN A 110 -1.728 10.872 10.844 1.00 11.43 C ATOM 1596 C ASN A 110 -2.650 11.725 9.994 1.00 44.52 C ATOM 1597 O ASN A 110 -2.228 12.738 9.451 1.00 71.11 O ATOM 1598 CB ASN A 110 -0.624 10.281 9.943 1.00 71.52 C ATOM 1599 CG ASN A 110 0.616 9.811 10.681 1.00 21.20 C ATOM 1600 OD1 ASN A 110 0.462 9.323 11.859 1.00 74.23 O flip ATOM 1601 ND2 ASN A 110 1.721 9.872 10.151 1.00 32.30 N flip ATOM 0 H ASN A 110 -2.675 8.993 11.131 1.00 12.24 H new ATOM 0 HA ASN A 110 -1.253 11.500 11.598 1.00 11.43 H new ATOM 0 HB2 ASN A 110 -1.039 9.440 9.387 1.00 71.52 H new ATOM 0 HB3 ASN A 110 -0.331 11.033 9.211 1.00 71.52 H new ATOM 0 HD21 ASN A 110 1.816 10.264 9.214 1.00 32.30 H new ATOM 0 HD22 ASN A 110 2.544 9.530 10.647 1.00 32.30 H new ATOM 1607 N GLY A 111 -3.893 11.318 9.863 1.00 30.25 N ATOM 1608 CA GLY A 111 -4.824 12.072 9.046 1.00 55.23 C ATOM 1609 C GLY A 111 -4.737 11.668 7.587 1.00 52.01 C ATOM 1610 O GLY A 111 -5.088 12.437 6.689 1.00 32.24 O ATOM 0 H GLY A 111 -4.280 10.483 10.303 1.00 30.25 H new ATOM 0 HA2 GLY A 111 -5.839 11.913 9.409 1.00 55.23 H new ATOM 0 HA3 GLY A 111 -4.614 13.137 9.143 1.00 55.23 H new ATOM 1614 N VAL A 112 -4.256 10.460 7.357 1.00 51.35 N ATOM 1615 CA VAL A 112 -4.138 9.917 6.023 1.00 25.31 C ATOM 1616 C VAL A 112 -5.455 9.277 5.682 1.00 51.14 C ATOM 1617 O VAL A 112 -5.788 8.204 6.193 1.00 0.01 O ATOM 1618 CB VAL A 112 -2.995 8.865 5.921 1.00 13.24 C ATOM 1619 CG1 VAL A 112 -2.866 8.326 4.501 1.00 63.13 C ATOM 1620 CG2 VAL A 112 -1.689 9.471 6.372 1.00 64.13 C ATOM 0 H VAL A 112 -3.937 9.830 8.093 1.00 51.35 H new ATOM 0 HA VAL A 112 -3.891 10.718 5.326 1.00 25.31 H new ATOM 0 HB VAL A 112 -3.244 8.030 6.575 1.00 13.24 H new ATOM 0 HG11 VAL A 112 -2.060 7.594 4.462 1.00 63.13 H new ATOM 0 HG12 VAL A 112 -3.802 7.852 4.205 1.00 63.13 H new ATOM 0 HG13 VAL A 112 -2.644 9.147 3.819 1.00 63.13 H new ATOM 0 HG21 VAL A 112 -0.897 8.726 6.296 1.00 64.13 H new ATOM 0 HG22 VAL A 112 -1.446 10.324 5.739 1.00 64.13 H new ATOM 0 HG23 VAL A 112 -1.779 9.801 7.407 1.00 64.13 H new ATOM 1626 N THR A 113 -6.225 9.951 4.898 1.00 13.13 N ATOM 1627 CA THR A 113 -7.542 9.495 4.571 1.00 64.30 C ATOM 1628 C THR A 113 -7.584 8.972 3.126 1.00 74.44 C ATOM 1629 O THR A 113 -8.561 8.352 2.695 1.00 64.00 O ATOM 1630 CB THR A 113 -8.528 10.669 4.759 1.00 15.34 C ATOM 1631 OG1 THR A 113 -8.275 11.276 6.043 1.00 30.35 O ATOM 1632 CG2 THR A 113 -9.963 10.177 4.751 1.00 4.02 C ATOM 0 H THR A 113 -5.963 10.836 4.463 1.00 13.13 H new ATOM 0 HA THR A 113 -7.825 8.673 5.228 1.00 64.30 H new ATOM 0 HB THR A 113 -8.387 11.378 3.943 1.00 15.34 H new ATOM 0 HG1 THR A 113 -8.892 12.025 6.178 1.00 30.35 H new ATOM 0 HG21 THR A 113 -10.638 11.022 4.885 1.00 4.02 H new ATOM 0 HG22 THR A 113 -10.175 9.690 3.799 1.00 4.02 H new ATOM 0 HG23 THR A 113 -10.108 9.465 5.563 1.00 4.02 H new ATOM 1638 N ASP A 114 -6.509 9.198 2.405 1.00 31.44 N ATOM 1639 CA ASP A 114 -6.424 8.808 1.008 1.00 23.14 C ATOM 1640 C ASP A 114 -5.253 7.868 0.842 1.00 51.25 C ATOM 1641 O ASP A 114 -4.095 8.273 1.019 1.00 4.22 O ATOM 1642 CB ASP A 114 -6.202 10.041 0.118 1.00 50.32 C ATOM 1643 CG ASP A 114 -7.217 11.136 0.330 1.00 3.42 C ATOM 1644 OD1 ASP A 114 -8.352 11.023 -0.162 1.00 3.43 O ATOM 1645 OD2 ASP A 114 -6.880 12.150 1.000 1.00 55.54 O ATOM 0 H ASP A 114 -5.671 9.655 2.764 1.00 31.44 H new ATOM 0 HA ASP A 114 -7.355 8.323 0.713 1.00 23.14 H new ATOM 0 HB2 ASP A 114 -5.206 10.440 0.308 1.00 50.32 H new ATOM 0 HB3 ASP A 114 -6.227 9.732 -0.927 1.00 50.32 H new ATOM 1650 N LEU A 115 -5.520 6.624 0.532 1.00 34.33 N ATOM 1651 CA LEU A 115 -4.458 5.654 0.406 1.00 51.13 C ATOM 1652 C LEU A 115 -4.716 4.803 -0.844 1.00 53.33 C ATOM 1653 O LEU A 115 -5.814 4.264 -1.022 1.00 53.04 O ATOM 1654 CB LEU A 115 -4.424 4.781 1.697 1.00 50.22 C ATOM 1655 CG LEU A 115 -3.144 3.955 2.011 1.00 25.11 C ATOM 1656 CD1 LEU A 115 -3.303 3.226 3.332 1.00 3.25 C ATOM 1657 CD2 LEU A 115 -2.812 2.965 0.922 1.00 64.35 C ATOM 0 H LEU A 115 -6.457 6.259 0.363 1.00 34.33 H new ATOM 0 HA LEU A 115 -3.489 6.141 0.295 1.00 51.13 H new ATOM 0 HB2 LEU A 115 -4.608 5.440 2.546 1.00 50.22 H new ATOM 0 HB3 LEU A 115 -5.261 4.085 1.647 1.00 50.22 H new ATOM 0 HG LEU A 115 -2.317 4.663 2.073 1.00 25.11 H new ATOM 0 HD11 LEU A 115 -2.401 2.651 3.541 1.00 3.25 H new ATOM 0 HD12 LEU A 115 -3.465 3.950 4.130 1.00 3.25 H new ATOM 0 HD13 LEU A 115 -4.158 2.552 3.275 1.00 3.25 H new ATOM 0 HD21 LEU A 115 -1.910 2.416 1.192 1.00 64.35 H new ATOM 0 HD22 LEU A 115 -3.640 2.266 0.801 1.00 64.35 H new ATOM 0 HD23 LEU A 115 -2.646 3.497 -0.015 1.00 64.35 H new ATOM 1665 N SER A 116 -3.729 4.691 -1.696 1.00 31.55 N ATOM 1666 CA SER A 116 -3.855 3.912 -2.878 1.00 50.32 C ATOM 1667 C SER A 116 -2.733 2.881 -2.953 1.00 43.10 C ATOM 1668 O SER A 116 -1.577 3.163 -2.617 1.00 64.34 O ATOM 1669 CB SER A 116 -3.864 4.819 -4.117 1.00 1.12 C ATOM 1670 OG SER A 116 -4.117 4.077 -5.294 1.00 51.32 O ATOM 0 H SER A 116 -2.821 5.141 -1.580 1.00 31.55 H new ATOM 0 HA SER A 116 -4.803 3.375 -2.850 1.00 50.32 H new ATOM 0 HB2 SER A 116 -4.625 5.591 -4.000 1.00 1.12 H new ATOM 0 HB3 SER A 116 -2.904 5.328 -4.205 1.00 1.12 H new ATOM 0 HG SER A 116 -4.748 3.354 -5.096 1.00 51.32 H new ATOM 1676 N MET A 117 -3.079 1.696 -3.353 1.00 10.23 N ATOM 1677 CA MET A 117 -2.126 0.637 -3.515 1.00 41.45 C ATOM 1678 C MET A 117 -2.462 -0.084 -4.814 1.00 62.21 C ATOM 1679 O MET A 117 -3.528 0.137 -5.371 1.00 3.22 O ATOM 1680 CB MET A 117 -2.179 -0.381 -2.323 1.00 40.31 C ATOM 1681 CG MET A 117 -3.442 -1.235 -2.240 1.00 15.52 C ATOM 1682 SD MET A 117 -4.871 -0.337 -1.640 1.00 60.34 S ATOM 1683 CE MET A 117 -4.402 -0.083 0.074 1.00 23.31 C ATOM 0 H MET A 117 -4.038 1.433 -3.579 1.00 10.23 H new ATOM 0 HA MET A 117 -1.120 1.057 -3.537 1.00 41.45 H new ATOM 0 HB2 MET A 117 -1.318 -1.045 -2.397 1.00 40.31 H new ATOM 0 HB3 MET A 117 -2.075 0.173 -1.390 1.00 40.31 H new ATOM 0 HG2 MET A 117 -3.664 -1.638 -3.228 1.00 15.52 H new ATOM 0 HG3 MET A 117 -3.254 -2.085 -1.584 1.00 15.52 H new ATOM 0 HE1 MET A 117 -5.077 0.639 0.533 1.00 23.31 H new ATOM 0 HE2 MET A 117 -4.463 -1.029 0.612 1.00 23.31 H new ATOM 0 HE3 MET A 117 -3.381 0.296 0.120 1.00 23.31 H new ATOM 1693 N PRO A 118 -1.568 -0.905 -5.344 1.00 74.13 N ATOM 1694 CA PRO A 118 -1.889 -1.742 -6.487 1.00 23.21 C ATOM 1695 C PRO A 118 -2.522 -3.045 -5.985 1.00 2.00 C ATOM 1696 O PRO A 118 -3.013 -3.109 -4.852 1.00 34.55 O ATOM 1697 CB PRO A 118 -0.512 -2.017 -7.072 1.00 24.03 C ATOM 1698 CG PRO A 118 0.374 -2.090 -5.878 1.00 2.51 C ATOM 1699 CD PRO A 118 -0.164 -1.074 -4.913 1.00 71.12 C ATOM 0 HA PRO A 118 -2.585 -1.299 -7.199 1.00 23.21 H new ATOM 0 HB2 PRO A 118 -0.497 -2.948 -7.639 1.00 24.03 H new ATOM 0 HB3 PRO A 118 -0.201 -1.224 -7.753 1.00 24.03 H new ATOM 0 HG2 PRO A 118 0.363 -3.089 -5.442 1.00 2.51 H new ATOM 0 HG3 PRO A 118 1.408 -1.870 -6.143 1.00 2.51 H new ATOM 0 HD2 PRO A 118 -0.099 -1.424 -3.883 1.00 71.12 H new ATOM 0 HD3 PRO A 118 0.389 -0.136 -4.967 1.00 71.12 H new ATOM 1707 N ARG A 119 -2.521 -4.074 -6.799 1.00 0.01 N ATOM 1708 CA ARG A 119 -3.006 -5.366 -6.344 1.00 30.41 C ATOM 1709 C ARG A 119 -1.984 -6.007 -5.414 1.00 35.13 C ATOM 1710 O ARG A 119 -1.089 -6.731 -5.858 1.00 41.40 O ATOM 1711 CB ARG A 119 -3.308 -6.306 -7.503 1.00 3.13 C ATOM 1712 CG ARG A 119 -4.456 -5.889 -8.396 1.00 60.42 C ATOM 1713 CD ARG A 119 -4.596 -6.871 -9.541 1.00 64.05 C ATOM 1714 NE ARG A 119 -3.401 -6.857 -10.406 1.00 31.21 N ATOM 1715 CZ ARG A 119 -2.821 -7.938 -10.936 1.00 42.02 C ATOM 1716 NH1 ARG A 119 -3.330 -9.142 -10.722 1.00 25.54 N ATOM 1717 NH2 ARG A 119 -1.727 -7.807 -11.679 1.00 54.43 N ATOM 0 H ARG A 119 -2.196 -4.049 -7.766 1.00 0.01 H new ATOM 0 HA ARG A 119 -3.939 -5.194 -5.807 1.00 30.41 H new ATOM 0 HB2 ARG A 119 -2.411 -6.401 -8.114 1.00 3.13 H new ATOM 0 HB3 ARG A 119 -3.525 -7.295 -7.099 1.00 3.13 H new ATOM 0 HG2 ARG A 119 -5.381 -5.852 -7.821 1.00 60.42 H new ATOM 0 HG3 ARG A 119 -4.281 -4.886 -8.784 1.00 60.42 H new ATOM 0 HD2 ARG A 119 -4.750 -7.875 -9.146 1.00 64.05 H new ATOM 0 HD3 ARG A 119 -5.478 -6.622 -10.131 1.00 64.05 H new ATOM 0 HE ARG A 119 -2.984 -5.950 -10.616 1.00 31.21 H new ATOM 0 HH11 ARG A 119 -4.168 -9.247 -10.151 1.00 25.54 H new ATOM 0 HH12 ARG A 119 -2.884 -9.964 -11.129 1.00 25.54 H new ATOM 0 HH21 ARG A 119 -1.331 -6.882 -11.844 1.00 54.43 H new ATOM 0 HH22 ARG A 119 -1.284 -8.632 -12.084 1.00 54.43 H new ATOM 1729 N ILE A 120 -2.065 -5.672 -4.150 1.00 25.14 N ATOM 1730 CA ILE A 120 -1.171 -6.226 -3.174 1.00 3.43 C ATOM 1731 C ILE A 120 -1.578 -7.638 -2.837 1.00 52.30 C ATOM 1732 O ILE A 120 -2.758 -7.947 -2.760 1.00 12.20 O ATOM 1733 CB ILE A 120 -1.043 -5.352 -1.892 1.00 1.22 C ATOM 1734 CG1 ILE A 120 -2.415 -5.119 -1.230 1.00 74.25 C ATOM 1735 CG2 ILE A 120 -0.363 -4.027 -2.225 1.00 15.35 C ATOM 1736 CD1 ILE A 120 -2.350 -4.313 0.055 1.00 2.54 C ATOM 0 H ILE A 120 -2.747 -5.013 -3.775 1.00 25.14 H new ATOM 0 HA ILE A 120 -0.178 -6.239 -3.623 1.00 3.43 H new ATOM 0 HB ILE A 120 -0.424 -5.890 -1.173 1.00 1.22 H new ATOM 0 HG12 ILE A 120 -3.066 -4.605 -1.937 1.00 74.25 H new ATOM 0 HG13 ILE A 120 -2.874 -6.085 -1.019 1.00 74.25 H new ATOM 0 HG21 ILE A 120 -0.279 -3.424 -1.321 1.00 15.35 H new ATOM 0 HG22 ILE A 120 0.632 -4.219 -2.627 1.00 15.35 H new ATOM 0 HG23 ILE A 120 -0.956 -3.490 -2.966 1.00 15.35 H new ATOM 0 HD11 ILE A 120 -3.355 -4.192 0.460 1.00 2.54 H new ATOM 0 HD12 ILE A 120 -1.727 -4.835 0.781 1.00 2.54 H new ATOM 0 HD13 ILE A 120 -1.922 -3.332 -0.152 1.00 2.54 H new ATOM 1743 N GLY A 121 -0.608 -8.489 -2.669 1.00 51.04 N ATOM 1744 CA GLY A 121 -0.899 -9.862 -2.436 1.00 35.31 C ATOM 1745 C GLY A 121 -1.255 -10.551 -3.732 1.00 72.12 C ATOM 1746 O GLY A 121 -2.165 -11.368 -3.781 1.00 65.14 O ATOM 0 H GLY A 121 0.384 -8.253 -2.690 1.00 51.04 H new ATOM 0 HA2 GLY A 121 -0.037 -10.351 -1.981 1.00 35.31 H new ATOM 0 HA3 GLY A 121 -1.725 -9.951 -1.730 1.00 35.31 H new ATOM 1750 N CYS A 122 -0.542 -10.198 -4.800 1.00 73.33 N ATOM 1751 CA CYS A 122 -0.820 -10.752 -6.123 1.00 51.23 C ATOM 1752 C CYS A 122 0.450 -10.937 -6.965 1.00 61.24 C ATOM 1753 O CYS A 122 0.378 -11.392 -8.115 1.00 24.21 O ATOM 1754 CB CYS A 122 -1.812 -9.862 -6.876 1.00 75.53 C ATOM 1755 SG CYS A 122 -3.407 -9.671 -6.053 1.00 73.24 S ATOM 0 H CYS A 122 0.231 -9.533 -4.775 1.00 73.33 H new ATOM 0 HA CYS A 122 -1.254 -11.739 -5.964 1.00 51.23 H new ATOM 0 HB2 CYS A 122 -1.367 -8.877 -7.014 1.00 75.53 H new ATOM 0 HB3 CYS A 122 -1.976 -10.280 -7.869 1.00 75.53 H new ATOM 0 HG CYS A 122 -3.427 -10.394 -4.973 1.00 73.24 H new ATOM 1761 N GLY A 123 1.598 -10.586 -6.418 1.00 44.34 N ATOM 1762 CA GLY A 123 2.828 -10.753 -7.160 1.00 75.14 C ATOM 1763 C GLY A 123 3.613 -11.914 -6.629 1.00 14.42 C ATOM 1764 O GLY A 123 3.171 -13.066 -6.714 1.00 34.32 O ATOM 0 H GLY A 123 1.703 -10.192 -5.483 1.00 44.34 H new ATOM 0 HA2 GLY A 123 2.604 -10.911 -8.215 1.00 75.14 H new ATOM 0 HA3 GLY A 123 3.425 -9.843 -7.094 1.00 75.14 H new ATOM 1768 N LEU A 124 4.758 -11.624 -6.046 1.00 42.12 N ATOM 1769 CA LEU A 124 5.599 -12.641 -5.407 1.00 62.02 C ATOM 1770 C LEU A 124 4.914 -13.109 -4.137 1.00 0.21 C ATOM 1771 O LEU A 124 5.274 -14.121 -3.546 1.00 4.22 O ATOM 1772 CB LEU A 124 7.015 -12.124 -5.078 1.00 51.23 C ATOM 1773 CG LEU A 124 7.946 -11.726 -6.244 1.00 71.35 C ATOM 1774 CD1 LEU A 124 7.441 -10.504 -7.005 1.00 4.55 C ATOM 1775 CD2 LEU A 124 9.350 -11.492 -5.724 1.00 42.52 C ATOM 0 H LEU A 124 5.140 -10.680 -5.997 1.00 42.12 H new ATOM 0 HA LEU A 124 5.722 -13.465 -6.110 1.00 62.02 H new ATOM 0 HB2 LEU A 124 6.908 -11.255 -4.429 1.00 51.23 H new ATOM 0 HB3 LEU A 124 7.522 -12.895 -4.498 1.00 51.23 H new ATOM 0 HG LEU A 124 7.955 -12.553 -6.954 1.00 71.35 H new ATOM 0 HD11 LEU A 124 8.133 -10.268 -7.814 1.00 4.55 H new ATOM 0 HD12 LEU A 124 6.456 -10.716 -7.420 1.00 4.55 H new ATOM 0 HD13 LEU A 124 7.373 -9.654 -6.325 1.00 4.55 H new ATOM 0 HD21 LEU A 124 10.002 -11.212 -6.551 1.00 42.52 H new ATOM 0 HD22 LEU A 124 9.336 -10.691 -4.985 1.00 42.52 H new ATOM 0 HD23 LEU A 124 9.723 -12.405 -5.261 1.00 42.52 H new ATOM 1783 N ASP A 125 3.942 -12.308 -3.715 1.00 21.32 N ATOM 1784 CA ASP A 125 3.118 -12.549 -2.540 1.00 64.24 C ATOM 1785 C ASP A 125 2.472 -13.922 -2.641 1.00 3.02 C ATOM 1786 O ASP A 125 2.300 -14.607 -1.641 1.00 34.03 O ATOM 1787 CB ASP A 125 1.993 -11.525 -2.479 1.00 71.03 C ATOM 1788 CG ASP A 125 2.437 -10.100 -2.734 1.00 70.21 C ATOM 1789 OD1 ASP A 125 2.905 -9.429 -1.812 1.00 31.14 O ATOM 1790 OD2 ASP A 125 2.297 -9.640 -3.909 1.00 42.30 O ATOM 0 H ASP A 125 3.699 -11.444 -4.199 1.00 21.32 H new ATOM 0 HA ASP A 125 3.752 -12.480 -1.656 1.00 64.24 H new ATOM 0 HB2 ASP A 125 1.232 -11.793 -3.212 1.00 71.03 H new ATOM 0 HB3 ASP A 125 1.522 -11.577 -1.497 1.00 71.03 H new ATOM 1795 N ARG A 126 2.087 -14.305 -3.886 1.00 14.33 N ATOM 1796 CA ARG A 126 1.509 -15.629 -4.177 1.00 43.35 C ATOM 1797 C ARG A 126 0.153 -15.831 -3.511 1.00 42.43 C ATOM 1798 O ARG A 126 -0.318 -16.951 -3.357 1.00 74.04 O ATOM 1799 CB ARG A 126 2.478 -16.702 -3.744 1.00 10.44 C ATOM 1800 CG ARG A 126 3.757 -16.663 -4.527 1.00 35.15 C ATOM 1801 CD ARG A 126 4.765 -17.529 -3.892 1.00 74.23 C ATOM 1802 NE ARG A 126 6.037 -17.560 -4.631 1.00 61.42 N ATOM 1803 CZ ARG A 126 7.195 -17.005 -4.218 1.00 4.45 C ATOM 1804 NH1 ARG A 126 7.215 -16.168 -3.174 1.00 70.30 N ATOM 1805 NH2 ARG A 126 8.314 -17.254 -4.889 1.00 24.13 N ATOM 0 H ARG A 126 2.171 -13.704 -4.706 1.00 14.33 H new ATOM 0 HA ARG A 126 1.340 -15.693 -5.252 1.00 43.35 H new ATOM 0 HB2 ARG A 126 2.700 -16.582 -2.684 1.00 10.44 H new ATOM 0 HB3 ARG A 126 2.011 -17.680 -3.863 1.00 10.44 H new ATOM 0 HG2 ARG A 126 3.576 -16.992 -5.550 1.00 35.15 H new ATOM 0 HG3 ARG A 126 4.128 -15.640 -4.582 1.00 35.15 H new ATOM 0 HD2 ARG A 126 4.949 -17.180 -2.876 1.00 74.23 H new ATOM 0 HD3 ARG A 126 4.370 -18.542 -3.815 1.00 74.23 H new ATOM 0 HE ARG A 126 6.044 -18.041 -5.530 1.00 61.42 H new ATOM 0 HH11 ARG A 126 6.349 -15.945 -2.683 1.00 70.30 H new ATOM 0 HH12 ARG A 126 8.096 -15.754 -2.869 1.00 70.30 H new ATOM 0 HH21 ARG A 126 8.293 -17.860 -5.709 1.00 24.13 H new ATOM 0 HH22 ARG A 126 9.194 -16.839 -4.584 1.00 24.13 H new ATOM 1817 N LEU A 127 -0.478 -14.746 -3.161 1.00 53.04 N ATOM 1818 CA LEU A 127 -1.743 -14.793 -2.467 1.00 74.23 C ATOM 1819 C LEU A 127 -2.891 -14.596 -3.445 1.00 51.23 C ATOM 1820 O LEU A 127 -2.675 -14.209 -4.603 1.00 40.13 O ATOM 1821 CB LEU A 127 -1.772 -13.709 -1.387 1.00 35.14 C ATOM 1822 CG LEU A 127 -0.666 -13.788 -0.327 1.00 0.13 C ATOM 1823 CD1 LEU A 127 -0.780 -12.636 0.651 1.00 44.13 C ATOM 1824 CD2 LEU A 127 -0.718 -15.114 0.410 1.00 4.10 C ATOM 0 H LEU A 127 -0.135 -13.804 -3.346 1.00 53.04 H new ATOM 0 HA LEU A 127 -1.858 -15.770 -1.998 1.00 74.23 H new ATOM 0 HB2 LEU A 127 -1.712 -12.736 -1.875 1.00 35.14 H new ATOM 0 HB3 LEU A 127 -2.737 -13.753 -0.881 1.00 35.14 H new ATOM 0 HG LEU A 127 0.295 -13.716 -0.836 1.00 0.13 H new ATOM 0 HD11 LEU A 127 0.013 -12.710 1.395 1.00 44.13 H new ATOM 0 HD12 LEU A 127 -0.687 -11.692 0.114 1.00 44.13 H new ATOM 0 HD13 LEU A 127 -1.749 -12.676 1.149 1.00 44.13 H new ATOM 0 HD21 LEU A 127 0.076 -15.147 1.156 1.00 4.10 H new ATOM 0 HD22 LEU A 127 -1.684 -15.219 0.903 1.00 4.10 H new ATOM 0 HD23 LEU A 127 -0.583 -15.930 -0.300 1.00 4.10 H new ATOM 1832 N GLN A 128 -4.095 -14.884 -2.998 1.00 51.14 N ATOM 1833 CA GLN A 128 -5.273 -14.677 -3.807 1.00 64.54 C ATOM 1834 C GLN A 128 -5.916 -13.370 -3.415 1.00 2.14 C ATOM 1835 O GLN A 128 -6.157 -13.125 -2.226 1.00 22.05 O ATOM 1836 CB GLN A 128 -6.316 -15.810 -3.672 1.00 53.52 C ATOM 1837 CG GLN A 128 -5.854 -17.203 -4.092 1.00 51.53 C ATOM 1838 CD GLN A 128 -4.916 -17.880 -3.105 1.00 31.32 C ATOM 1839 OE1 GLN A 128 -5.007 -17.666 -1.900 1.00 14.53 O ATOM 1840 NE2 GLN A 128 -4.021 -18.686 -3.595 1.00 55.41 N ATOM 0 H GLN A 128 -4.282 -15.265 -2.071 1.00 51.14 H new ATOM 0 HA GLN A 128 -4.946 -14.666 -4.847 1.00 64.54 H new ATOM 0 HB2 GLN A 128 -6.640 -15.855 -2.632 1.00 53.52 H new ATOM 0 HB3 GLN A 128 -7.190 -15.545 -4.267 1.00 53.52 H new ATOM 0 HG2 GLN A 128 -6.730 -17.835 -4.233 1.00 51.53 H new ATOM 0 HG3 GLN A 128 -5.354 -17.130 -5.058 1.00 51.53 H new ATOM 0 HE21 GLN A 128 -3.972 -18.842 -4.602 1.00 55.41 H new ATOM 0 HE22 GLN A 128 -3.368 -19.162 -2.973 1.00 55.41 H new ATOM 1848 N TRP A 129 -6.234 -12.554 -4.394 1.00 41.14 N ATOM 1849 CA TRP A 129 -6.815 -11.236 -4.146 1.00 5.24 C ATOM 1850 C TRP A 129 -8.183 -11.329 -3.529 1.00 51.23 C ATOM 1851 O TRP A 129 -8.583 -10.441 -2.771 1.00 23.25 O ATOM 1852 CB TRP A 129 -6.781 -10.346 -5.402 1.00 63.45 C ATOM 1853 CG TRP A 129 -7.438 -9.009 -5.225 1.00 33.12 C ATOM 1854 CD1 TRP A 129 -8.680 -8.648 -5.658 1.00 25.21 C ATOM 1855 CD2 TRP A 129 -6.901 -7.867 -4.551 1.00 44.11 C ATOM 1856 NE1 TRP A 129 -8.945 -7.359 -5.297 1.00 2.44 N ATOM 1857 CE2 TRP A 129 -7.871 -6.854 -4.617 1.00 25.22 C ATOM 1858 CE3 TRP A 129 -5.698 -7.603 -3.899 1.00 33.12 C ATOM 1859 CZ2 TRP A 129 -7.676 -5.600 -4.055 1.00 10.03 C ATOM 1860 CZ3 TRP A 129 -5.505 -6.357 -3.342 1.00 63.15 C ATOM 1861 CH2 TRP A 129 -6.487 -5.371 -3.422 1.00 2.34 C ATOM 0 H TRP A 129 -6.102 -12.774 -5.381 1.00 41.14 H new ATOM 0 HA TRP A 129 -6.185 -10.741 -3.407 1.00 5.24 H new ATOM 0 HB2 TRP A 129 -5.743 -10.192 -5.697 1.00 63.45 H new ATOM 0 HB3 TRP A 129 -7.270 -10.873 -6.221 1.00 63.45 H new ATOM 0 HD1 TRP A 129 -9.355 -9.289 -6.206 1.00 25.21 H new ATOM 0 HE1 TRP A 129 -9.807 -6.853 -5.502 1.00 2.44 H new ATOM 0 HE3 TRP A 129 -4.931 -8.361 -3.831 1.00 33.12 H new ATOM 0 HZ2 TRP A 129 -8.435 -4.834 -4.116 1.00 10.03 H new ATOM 0 HZ3 TRP A 129 -4.576 -6.141 -2.835 1.00 63.15 H new ATOM 0 HH2 TRP A 129 -6.304 -4.405 -2.974 1.00 2.34 H new ATOM 1872 N GLU A 130 -8.876 -12.410 -3.816 1.00 33.32 N ATOM 1873 CA GLU A 130 -10.167 -12.678 -3.205 1.00 55.22 C ATOM 1874 C GLU A 130 -10.001 -12.615 -1.681 1.00 51.20 C ATOM 1875 O GLU A 130 -10.810 -12.039 -0.964 1.00 53.43 O ATOM 1876 CB GLU A 130 -10.615 -14.089 -3.580 1.00 53.13 C ATOM 1877 CG GLU A 130 -10.616 -14.377 -5.066 1.00 41.22 C ATOM 1878 CD GLU A 130 -11.052 -15.783 -5.367 1.00 23.01 C ATOM 1879 OE1 GLU A 130 -10.253 -16.719 -5.178 1.00 72.53 O ATOM 1880 OE2 GLU A 130 -12.223 -15.976 -5.772 1.00 73.02 O ATOM 0 H GLU A 130 -8.566 -13.125 -4.474 1.00 33.32 H new ATOM 0 HA GLU A 130 -10.901 -11.949 -3.547 1.00 55.22 H new ATOM 0 HB2 GLU A 130 -9.961 -14.807 -3.085 1.00 53.13 H new ATOM 0 HB3 GLU A 130 -11.620 -14.252 -3.191 1.00 53.13 H new ATOM 0 HG2 GLU A 130 -11.280 -13.676 -5.571 1.00 41.22 H new ATOM 0 HG3 GLU A 130 -9.616 -14.214 -5.468 1.00 41.22 H new ATOM 1887 N ASN A 131 -8.901 -13.198 -1.221 1.00 2.35 N ATOM 1888 CA ASN A 131 -8.598 -13.293 0.203 1.00 71.45 C ATOM 1889 C ASN A 131 -8.072 -11.969 0.722 1.00 32.13 C ATOM 1890 O ASN A 131 -8.518 -11.465 1.753 1.00 65.25 O ATOM 1891 CB ASN A 131 -7.535 -14.377 0.487 1.00 24.34 C ATOM 1892 CG ASN A 131 -7.860 -15.784 -0.016 1.00 62.02 C ATOM 1893 OD1 ASN A 131 -8.510 -15.883 -1.138 1.00 22.21 O flip ATOM 1894 ND2 ASN A 131 -7.463 -16.774 0.592 1.00 52.15 N flip ATOM 0 H ASN A 131 -8.194 -13.618 -1.824 1.00 2.35 H new ATOM 0 HA ASN A 131 -9.527 -13.558 0.708 1.00 71.45 H new ATOM 0 HB2 ASN A 131 -6.594 -14.061 0.038 1.00 24.34 H new ATOM 0 HB3 ASN A 131 -7.374 -14.426 1.564 1.00 24.34 H new ATOM 0 HD21 ASN A 131 -6.956 -16.664 1.470 1.00 52.15 H new ATOM 0 HD22 ASN A 131 -7.640 -17.707 0.219 1.00 52.15 H new ATOM 1900 N VAL A 132 -7.110 -11.410 -0.022 1.00 22.41 N ATOM 1901 CA VAL A 132 -6.431 -10.177 0.363 1.00 50.24 C ATOM 1902 C VAL A 132 -7.408 -9.028 0.500 1.00 40.14 C ATOM 1903 O VAL A 132 -7.466 -8.390 1.547 1.00 41.23 O ATOM 1904 CB VAL A 132 -5.315 -9.785 -0.643 1.00 72.11 C ATOM 1905 CG1 VAL A 132 -4.601 -8.519 -0.189 1.00 51.03 C ATOM 1906 CG2 VAL A 132 -4.321 -10.916 -0.813 1.00 41.31 C ATOM 0 H VAL A 132 -6.784 -11.802 -0.905 1.00 22.41 H new ATOM 0 HA VAL A 132 -5.969 -10.373 1.331 1.00 50.24 H new ATOM 0 HB VAL A 132 -5.785 -9.591 -1.607 1.00 72.11 H new ATOM 0 HG11 VAL A 132 -3.823 -8.262 -0.908 1.00 51.03 H new ATOM 0 HG12 VAL A 132 -5.318 -7.701 -0.123 1.00 51.03 H new ATOM 0 HG13 VAL A 132 -4.150 -8.686 0.789 1.00 51.03 H new ATOM 0 HG21 VAL A 132 -3.549 -10.618 -1.522 1.00 41.31 H new ATOM 0 HG22 VAL A 132 -3.862 -11.144 0.149 1.00 41.31 H new ATOM 0 HG23 VAL A 132 -4.836 -11.800 -1.188 1.00 41.31 H new ATOM 1912 N SER A 133 -8.188 -8.796 -0.547 1.00 13.32 N ATOM 1913 CA SER A 133 -9.157 -7.726 -0.563 1.00 64.32 C ATOM 1914 C SER A 133 -10.109 -7.842 0.611 1.00 13.43 C ATOM 1915 O SER A 133 -10.279 -6.888 1.354 1.00 72.50 O ATOM 1916 CB SER A 133 -9.918 -7.707 -1.901 1.00 31.03 C ATOM 1917 OG SER A 133 -10.947 -6.717 -1.928 1.00 70.55 O ATOM 0 H SER A 133 -8.162 -9.347 -1.405 1.00 13.32 H new ATOM 0 HA SER A 133 -8.626 -6.779 -0.465 1.00 64.32 H new ATOM 0 HB2 SER A 133 -9.215 -7.519 -2.713 1.00 31.03 H new ATOM 0 HB3 SER A 133 -10.357 -8.688 -2.080 1.00 31.03 H new ATOM 0 HG SER A 133 -11.683 -6.994 -1.343 1.00 70.55 H new ATOM 1923 N ALA A 134 -10.674 -9.032 0.811 1.00 20.11 N ATOM 1924 CA ALA A 134 -11.628 -9.262 1.891 1.00 14.54 C ATOM 1925 C ALA A 134 -11.016 -8.947 3.253 1.00 62.21 C ATOM 1926 O ALA A 134 -11.692 -8.426 4.145 1.00 24.32 O ATOM 1927 CB ALA A 134 -12.145 -10.692 1.853 1.00 45.32 C ATOM 0 H ALA A 134 -10.486 -9.853 0.236 1.00 20.11 H new ATOM 0 HA ALA A 134 -12.469 -8.585 1.741 1.00 14.54 H new ATOM 0 HB1 ALA A 134 -12.855 -10.844 2.666 1.00 45.32 H new ATOM 0 HB2 ALA A 134 -12.641 -10.874 0.900 1.00 45.32 H new ATOM 0 HB3 ALA A 134 -11.310 -11.384 1.966 1.00 45.32 H new ATOM 1933 N MET A 135 -9.737 -9.230 3.392 1.00 25.32 N ATOM 1934 CA MET A 135 -9.032 -8.995 4.632 1.00 40.34 C ATOM 1935 C MET A 135 -8.740 -7.495 4.829 1.00 51.04 C ATOM 1936 O MET A 135 -8.840 -6.981 5.940 1.00 12.42 O ATOM 1937 CB MET A 135 -7.764 -9.853 4.689 1.00 10.02 C ATOM 1938 CG MET A 135 -6.980 -9.751 5.983 1.00 60.05 C ATOM 1939 SD MET A 135 -5.632 -10.954 6.063 1.00 34.40 S ATOM 1940 CE MET A 135 -4.647 -10.492 4.642 1.00 50.35 C ATOM 0 H MET A 135 -9.160 -9.628 2.651 1.00 25.32 H new ATOM 0 HA MET A 135 -9.668 -9.296 5.464 1.00 40.34 H new ATOM 0 HB2 MET A 135 -8.041 -10.895 4.531 1.00 10.02 H new ATOM 0 HB3 MET A 135 -7.112 -9.567 3.863 1.00 10.02 H new ATOM 0 HG2 MET A 135 -6.573 -8.745 6.080 1.00 60.05 H new ATOM 0 HG3 MET A 135 -7.653 -9.906 6.826 1.00 60.05 H new ATOM 0 HE1 MET A 135 -3.691 -11.014 4.677 1.00 50.35 H new ATOM 0 HE2 MET A 135 -5.176 -10.764 3.729 1.00 50.35 H new ATOM 0 HE3 MET A 135 -4.474 -9.416 4.654 1.00 50.35 H new ATOM 1950 N ILE A 136 -8.412 -6.796 3.742 1.00 64.44 N ATOM 1951 CA ILE A 136 -8.202 -5.347 3.784 1.00 43.00 C ATOM 1952 C ILE A 136 -9.524 -4.672 4.157 1.00 14.41 C ATOM 1953 O ILE A 136 -9.587 -3.833 5.065 1.00 4.44 O ATOM 1954 CB ILE A 136 -7.745 -4.806 2.396 1.00 24.52 C ATOM 1955 CG1 ILE A 136 -6.442 -5.473 1.947 1.00 34.43 C ATOM 1956 CG2 ILE A 136 -7.574 -3.293 2.441 1.00 55.34 C ATOM 1957 CD1 ILE A 136 -5.994 -5.060 0.558 1.00 31.10 C ATOM 0 H ILE A 136 -8.285 -7.211 2.819 1.00 64.44 H new ATOM 0 HA ILE A 136 -7.426 -5.129 4.518 1.00 43.00 H new ATOM 0 HB ILE A 136 -8.521 -5.050 1.670 1.00 24.52 H new ATOM 0 HG12 ILE A 136 -5.655 -5.230 2.661 1.00 34.43 H new ATOM 0 HG13 ILE A 136 -6.571 -6.555 1.971 1.00 34.43 H new ATOM 0 HG21 ILE A 136 -7.255 -2.934 1.463 1.00 55.34 H new ATOM 0 HG22 ILE A 136 -8.523 -2.827 2.706 1.00 55.34 H new ATOM 0 HG23 ILE A 136 -6.822 -3.034 3.186 1.00 55.34 H new ATOM 0 HD11 ILE A 136 -5.065 -5.572 0.308 1.00 31.10 H new ATOM 0 HD12 ILE A 136 -6.763 -5.328 -0.167 1.00 31.10 H new ATOM 0 HD13 ILE A 136 -5.832 -3.982 0.533 1.00 31.10 H new ATOM 1964 N GLU A 137 -10.575 -5.091 3.467 1.00 12.53 N ATOM 1965 CA GLU A 137 -11.923 -4.579 3.660 1.00 4.31 C ATOM 1966 C GLU A 137 -12.426 -4.828 5.086 1.00 63.32 C ATOM 1967 O GLU A 137 -13.217 -4.062 5.603 1.00 44.14 O ATOM 1968 CB GLU A 137 -12.874 -5.207 2.632 1.00 71.02 C ATOM 1969 CG GLU A 137 -12.525 -4.871 1.181 1.00 52.31 C ATOM 1970 CD GLU A 137 -13.435 -5.541 0.174 1.00 44.33 C ATOM 1971 OE1 GLU A 137 -13.146 -6.690 -0.235 1.00 21.45 O ATOM 1972 OE2 GLU A 137 -14.444 -4.938 -0.228 1.00 13.24 O ATOM 0 H GLU A 137 -10.513 -5.809 2.745 1.00 12.53 H new ATOM 0 HA GLU A 137 -11.898 -3.500 3.510 1.00 4.31 H new ATOM 0 HB2 GLU A 137 -12.865 -6.290 2.757 1.00 71.02 H new ATOM 0 HB3 GLU A 137 -13.890 -4.871 2.838 1.00 71.02 H new ATOM 0 HG2 GLU A 137 -12.576 -3.791 1.043 1.00 52.31 H new ATOM 0 HG3 GLU A 137 -11.495 -5.169 0.984 1.00 52.31 H new ATOM 1979 N GLU A 138 -11.950 -5.900 5.705 1.00 72.01 N ATOM 1980 CA GLU A 138 -12.315 -6.254 7.054 1.00 25.24 C ATOM 1981 C GLU A 138 -11.709 -5.215 8.024 1.00 21.10 C ATOM 1982 O GLU A 138 -12.405 -4.655 8.872 1.00 14.00 O ATOM 1983 CB GLU A 138 -11.741 -7.655 7.320 1.00 20.14 C ATOM 1984 CG GLU A 138 -12.272 -8.426 8.523 1.00 53.24 C ATOM 1985 CD GLU A 138 -12.048 -7.780 9.874 1.00 34.35 C ATOM 1986 OE1 GLU A 138 -10.898 -7.615 10.284 1.00 13.24 O ATOM 1987 OE2 GLU A 138 -13.036 -7.479 10.568 1.00 64.32 O ATOM 0 H GLU A 138 -11.293 -6.550 5.273 1.00 72.01 H new ATOM 0 HA GLU A 138 -13.396 -6.261 7.197 1.00 25.24 H new ATOM 0 HB2 GLU A 138 -11.914 -8.262 6.431 1.00 20.14 H new ATOM 0 HB3 GLU A 138 -10.661 -7.558 7.435 1.00 20.14 H new ATOM 0 HG2 GLU A 138 -13.343 -8.579 8.388 1.00 53.24 H new ATOM 0 HG3 GLU A 138 -11.808 -9.412 8.532 1.00 53.24 H new ATOM 1994 N VAL A 139 -10.422 -4.945 7.861 1.00 34.03 N ATOM 1995 CA VAL A 139 -9.698 -4.027 8.741 1.00 62.03 C ATOM 1996 C VAL A 139 -10.209 -2.583 8.603 1.00 23.43 C ATOM 1997 O VAL A 139 -10.468 -1.897 9.604 1.00 42.41 O ATOM 1998 CB VAL A 139 -8.158 -4.065 8.468 1.00 21.30 C ATOM 1999 CG1 VAL A 139 -7.407 -3.153 9.429 1.00 55.23 C ATOM 2000 CG2 VAL A 139 -7.621 -5.484 8.558 1.00 63.12 C ATOM 0 H VAL A 139 -9.849 -5.351 7.121 1.00 34.03 H new ATOM 0 HA VAL A 139 -9.883 -4.365 9.760 1.00 62.03 H new ATOM 0 HB VAL A 139 -7.996 -3.701 7.453 1.00 21.30 H new ATOM 0 HG11 VAL A 139 -6.339 -3.200 9.216 1.00 55.23 H new ATOM 0 HG12 VAL A 139 -7.757 -2.128 9.306 1.00 55.23 H new ATOM 0 HG13 VAL A 139 -7.587 -3.477 10.454 1.00 55.23 H new ATOM 0 HG21 VAL A 139 -6.548 -5.480 8.364 1.00 63.12 H new ATOM 0 HG22 VAL A 139 -7.808 -5.881 9.556 1.00 63.12 H new ATOM 0 HG23 VAL A 139 -8.121 -6.110 7.819 1.00 63.12 H new ATOM 2006 N PHE A 140 -10.385 -2.147 7.382 1.00 44.00 N ATOM 2007 CA PHE A 140 -10.776 -0.771 7.099 1.00 2.30 C ATOM 2008 C PHE A 140 -12.309 -0.600 7.003 1.00 64.21 C ATOM 2009 O PHE A 140 -12.795 0.479 6.617 1.00 62.10 O ATOM 2010 CB PHE A 140 -10.125 -0.291 5.792 1.00 1.14 C ATOM 2011 CG PHE A 140 -8.616 -0.187 5.819 1.00 13.32 C ATOM 2012 CD1 PHE A 140 -7.814 -1.309 5.669 1.00 4.42 C ATOM 2013 CD2 PHE A 140 -8.003 1.043 5.979 1.00 22.05 C ATOM 2014 CE1 PHE A 140 -6.437 -1.207 5.682 1.00 60.25 C ATOM 2015 CE2 PHE A 140 -6.624 1.153 5.990 1.00 42.31 C ATOM 2016 CZ PHE A 140 -5.841 0.027 5.842 1.00 2.20 C ATOM 0 H PHE A 140 -10.264 -2.726 6.551 1.00 44.00 H new ATOM 0 HA PHE A 140 -10.427 -0.165 7.935 1.00 2.30 H new ATOM 0 HB2 PHE A 140 -10.411 -0.973 4.992 1.00 1.14 H new ATOM 0 HB3 PHE A 140 -10.535 0.687 5.539 1.00 1.14 H new ATOM 0 HD1 PHE A 140 -8.274 -2.278 5.540 1.00 4.42 H new ATOM 0 HD2 PHE A 140 -8.609 1.929 6.097 1.00 22.05 H new ATOM 0 HE1 PHE A 140 -5.828 -2.091 5.567 1.00 60.25 H new ATOM 0 HE2 PHE A 140 -6.160 2.120 6.114 1.00 42.31 H new ATOM 0 HZ PHE A 140 -4.764 0.111 5.851 1.00 2.20 H new ATOM 2026 N GLU A 141 -13.057 -1.632 7.386 1.00 34.44 N ATOM 2027 CA GLU A 141 -14.538 -1.650 7.279 1.00 55.34 C ATOM 2028 C GLU A 141 -15.191 -0.419 7.913 1.00 14.14 C ATOM 2029 O GLU A 141 -16.108 0.184 7.356 1.00 73.33 O ATOM 2030 CB GLU A 141 -15.083 -2.898 7.980 1.00 35.21 C ATOM 2031 CG GLU A 141 -16.602 -3.034 7.947 1.00 4.15 C ATOM 2032 CD GLU A 141 -17.167 -3.425 6.597 1.00 42.24 C ATOM 2033 OE1 GLU A 141 -17.195 -2.585 5.665 1.00 23.12 O ATOM 2034 OE2 GLU A 141 -17.601 -4.590 6.458 1.00 54.04 O ATOM 0 H GLU A 141 -12.666 -2.487 7.782 1.00 34.44 H new ATOM 0 HA GLU A 141 -14.780 -1.652 6.216 1.00 55.34 H new ATOM 0 HB2 GLU A 141 -14.642 -3.781 7.516 1.00 35.21 H new ATOM 0 HB3 GLU A 141 -14.755 -2.887 9.019 1.00 35.21 H new ATOM 0 HG2 GLU A 141 -16.904 -3.779 8.683 1.00 4.15 H new ATOM 0 HG3 GLU A 141 -17.046 -2.086 8.252 1.00 4.15 H new ATOM 2041 N ALA A 142 -14.689 -0.033 9.031 1.00 20.54 N ATOM 2042 CA ALA A 142 -15.283 1.041 9.799 1.00 25.02 C ATOM 2043 C ALA A 142 -14.451 2.311 9.727 1.00 5.53 C ATOM 2044 O ALA A 142 -14.555 3.176 10.593 1.00 0.42 O ATOM 2045 CB ALA A 142 -15.461 0.594 11.246 1.00 33.33 C ATOM 0 H ALA A 142 -13.855 -0.442 9.453 1.00 20.54 H new ATOM 0 HA ALA A 142 -16.258 1.272 9.369 1.00 25.02 H new ATOM 0 HB1 ALA A 142 -15.908 1.403 11.824 1.00 33.33 H new ATOM 0 HB2 ALA A 142 -16.112 -0.279 11.280 1.00 33.33 H new ATOM 0 HB3 ALA A 142 -14.490 0.339 11.670 1.00 33.33 H new ATOM 2051 N THR A 143 -13.652 2.454 8.698 1.00 22.34 N ATOM 2052 CA THR A 143 -12.843 3.643 8.596 1.00 22.32 C ATOM 2053 C THR A 143 -13.437 4.619 7.587 1.00 64.42 C ATOM 2054 O THR A 143 -14.397 4.292 6.880 1.00 23.23 O ATOM 2055 CB THR A 143 -11.374 3.341 8.213 1.00 63.34 C ATOM 2056 OG1 THR A 143 -11.301 2.737 6.920 1.00 23.03 O ATOM 2057 CG2 THR A 143 -10.722 2.431 9.229 1.00 44.41 C ATOM 0 H THR A 143 -13.545 1.782 7.938 1.00 22.34 H new ATOM 0 HA THR A 143 -12.841 4.092 9.589 1.00 22.32 H new ATOM 0 HB THR A 143 -10.840 4.291 8.196 1.00 63.34 H new ATOM 0 HG1 THR A 143 -11.826 1.909 6.915 1.00 23.03 H new ATOM 0 HG21 THR A 143 -9.691 2.236 8.934 1.00 44.41 H new ATOM 0 HG22 THR A 143 -10.735 2.910 10.208 1.00 44.41 H new ATOM 0 HG23 THR A 143 -11.269 1.490 9.279 1.00 44.41 H new ATOM 2063 N ASP A 144 -12.891 5.812 7.536 1.00 71.21 N ATOM 2064 CA ASP A 144 -13.300 6.816 6.552 1.00 64.52 C ATOM 2065 C ASP A 144 -12.228 6.945 5.489 1.00 20.20 C ATOM 2066 O ASP A 144 -12.221 7.893 4.702 1.00 13.41 O ATOM 2067 CB ASP A 144 -13.538 8.192 7.204 1.00 25.42 C ATOM 2068 CG ASP A 144 -14.652 8.199 8.220 1.00 65.45 C ATOM 2069 OD1 ASP A 144 -15.829 8.187 7.832 1.00 34.21 O ATOM 2070 OD2 ASP A 144 -14.366 8.237 9.428 1.00 22.24 O ATOM 0 H ASP A 144 -12.153 6.123 8.168 1.00 71.21 H new ATOM 0 HA ASP A 144 -14.239 6.486 6.108 1.00 64.52 H new ATOM 0 HB2 ASP A 144 -12.617 8.519 7.686 1.00 25.42 H new ATOM 0 HB3 ASP A 144 -13.765 8.919 6.424 1.00 25.42 H new ATOM 2075 N ILE A 145 -11.339 5.973 5.456 1.00 71.04 N ATOM 2076 CA ILE A 145 -10.201 5.977 4.558 1.00 61.53 C ATOM 2077 C ILE A 145 -10.609 5.493 3.176 1.00 1.11 C ATOM 2078 O ILE A 145 -11.219 4.428 3.033 1.00 11.12 O ATOM 2079 CB ILE A 145 -9.080 5.062 5.106 1.00 32.11 C ATOM 2080 CG1 ILE A 145 -8.671 5.522 6.504 1.00 11.53 C ATOM 2081 CG2 ILE A 145 -7.866 5.059 4.164 1.00 31.41 C ATOM 2082 CD1 ILE A 145 -7.674 4.612 7.174 1.00 22.53 C ATOM 0 H ILE A 145 -11.386 5.150 6.057 1.00 71.04 H new ATOM 0 HA ILE A 145 -9.832 7.000 4.486 1.00 61.53 H new ATOM 0 HB ILE A 145 -9.462 4.043 5.166 1.00 32.11 H new ATOM 0 HG12 ILE A 145 -8.247 6.524 6.438 1.00 11.53 H new ATOM 0 HG13 ILE A 145 -9.562 5.593 7.128 1.00 11.53 H new ATOM 0 HG21 ILE A 145 -7.091 4.409 4.571 1.00 31.41 H new ATOM 0 HG22 ILE A 145 -8.168 4.694 3.182 1.00 31.41 H new ATOM 0 HG23 ILE A 145 -7.476 6.073 4.070 1.00 31.41 H new ATOM 0 HD11 ILE A 145 -7.431 5.003 8.162 1.00 22.53 H new ATOM 0 HD12 ILE A 145 -8.101 3.614 7.273 1.00 22.53 H new ATOM 0 HD13 ILE A 145 -6.767 4.560 6.572 1.00 22.53 H new ATOM 2089 N LYS A 146 -10.271 6.263 2.175 1.00 13.51 N ATOM 2090 CA LYS A 146 -10.567 5.904 0.819 1.00 23.53 C ATOM 2091 C LYS A 146 -9.432 5.078 0.273 1.00 4.54 C ATOM 2092 O LYS A 146 -8.298 5.567 0.141 1.00 31.13 O ATOM 2093 CB LYS A 146 -10.814 7.144 -0.095 1.00 22.52 C ATOM 2094 CG LYS A 146 -12.063 7.990 0.231 1.00 52.25 C ATOM 2095 CD LYS A 146 -11.962 8.700 1.572 1.00 33.35 C ATOM 2096 CE LYS A 146 -13.240 9.443 1.910 1.00 54.15 C ATOM 2097 NZ LYS A 146 -13.147 10.113 3.223 1.00 0.24 N ATOM 0 H LYS A 146 -9.784 7.153 2.279 1.00 13.51 H new ATOM 0 HA LYS A 146 -11.494 5.330 0.822 1.00 23.53 H new ATOM 0 HB2 LYS A 146 -9.938 7.790 -0.040 1.00 22.52 H new ATOM 0 HB3 LYS A 146 -10.892 6.800 -1.126 1.00 22.52 H new ATOM 0 HG2 LYS A 146 -12.210 8.730 -0.556 1.00 52.25 H new ATOM 0 HG3 LYS A 146 -12.942 7.346 0.232 1.00 52.25 H new ATOM 0 HD2 LYS A 146 -11.746 7.972 2.354 1.00 33.35 H new ATOM 0 HD3 LYS A 146 -11.128 9.401 1.551 1.00 33.35 H new ATOM 0 HE2 LYS A 146 -13.447 10.183 1.137 1.00 54.15 H new ATOM 0 HE3 LYS A 146 -14.077 8.745 1.915 1.00 54.15 H new ATOM 0 HZ1 LYS A 146 -14.085 10.466 3.500 1.00 0.24 H new ATOM 0 HZ2 LYS A 146 -12.808 9.435 3.935 1.00 0.24 H new ATOM 0 HZ3 LYS A 146 -12.482 10.910 3.160 1.00 0.24 H new ATOM 2111 N ILE A 147 -9.719 3.839 -0.013 1.00 63.33 N ATOM 2112 CA ILE A 147 -8.755 2.941 -0.579 1.00 42.55 C ATOM 2113 C ILE A 147 -9.064 2.697 -2.014 1.00 13.20 C ATOM 2114 O ILE A 147 -10.189 2.364 -2.371 1.00 51.44 O ATOM 2115 CB ILE A 147 -8.665 1.598 0.192 1.00 11.10 C ATOM 2116 CG1 ILE A 147 -8.044 1.839 1.555 1.00 62.33 C ATOM 2117 CG2 ILE A 147 -7.874 0.545 -0.590 1.00 60.03 C ATOM 2118 CD1 ILE A 147 -7.902 0.590 2.400 1.00 1.22 C ATOM 0 H ILE A 147 -10.637 3.422 0.142 1.00 63.33 H new ATOM 0 HA ILE A 147 -7.780 3.420 -0.493 1.00 42.55 H new ATOM 0 HB ILE A 147 -9.674 1.206 0.319 1.00 11.10 H new ATOM 0 HG12 ILE A 147 -7.060 2.287 1.420 1.00 62.33 H new ATOM 0 HG13 ILE A 147 -8.652 2.564 2.096 1.00 62.33 H new ATOM 0 HG21 ILE A 147 -7.834 -0.381 -0.016 1.00 60.03 H new ATOM 0 HG22 ILE A 147 -8.363 0.358 -1.546 1.00 60.03 H new ATOM 0 HG23 ILE A 147 -6.861 0.907 -0.765 1.00 60.03 H new ATOM 0 HD11 ILE A 147 -7.450 0.848 3.358 1.00 1.22 H new ATOM 0 HD12 ILE A 147 -8.885 0.151 2.569 1.00 1.22 H new ATOM 0 HD13 ILE A 147 -7.268 -0.130 1.882 1.00 1.22 H new ATOM 2125 N THR A 148 -8.085 2.876 -2.819 1.00 43.21 N ATOM 2126 CA THR A 148 -8.218 2.673 -4.227 1.00 63.41 C ATOM 2127 C THR A 148 -7.061 1.844 -4.738 1.00 1.51 C ATOM 2128 O THR A 148 -5.895 2.148 -4.453 1.00 3.31 O ATOM 2129 CB THR A 148 -8.263 4.017 -4.977 1.00 10.12 C ATOM 2130 OG1 THR A 148 -9.380 4.791 -4.504 1.00 24.53 O ATOM 2131 CG2 THR A 148 -8.393 3.803 -6.478 1.00 73.21 C ATOM 0 H THR A 148 -7.154 3.171 -2.524 1.00 43.21 H new ATOM 0 HA THR A 148 -9.155 2.146 -4.408 1.00 63.41 H new ATOM 0 HB THR A 148 -7.331 4.549 -4.786 1.00 10.12 H new ATOM 0 HG1 THR A 148 -9.409 5.648 -4.979 1.00 24.53 H new ATOM 0 HG21 THR A 148 -8.422 4.769 -6.982 1.00 73.21 H new ATOM 0 HG22 THR A 148 -7.538 3.231 -6.839 1.00 73.21 H new ATOM 0 HG23 THR A 148 -9.312 3.255 -6.689 1.00 73.21 H new ATOM 2137 N VAL A 149 -7.368 0.803 -5.465 1.00 10.32 N ATOM 2138 CA VAL A 149 -6.336 -0.001 -6.041 1.00 33.31 C ATOM 2139 C VAL A 149 -6.253 0.266 -7.521 1.00 24.34 C ATOM 2140 O VAL A 149 -7.279 0.297 -8.225 1.00 61.10 O ATOM 2141 CB VAL A 149 -6.496 -1.539 -5.794 1.00 10.23 C ATOM 2142 CG1 VAL A 149 -6.583 -1.873 -4.332 1.00 21.33 C ATOM 2143 CG2 VAL A 149 -7.662 -2.126 -6.544 1.00 63.10 C ATOM 0 H VAL A 149 -8.319 0.497 -5.669 1.00 10.32 H new ATOM 0 HA VAL A 149 -5.415 0.289 -5.536 1.00 33.31 H new ATOM 0 HB VAL A 149 -5.589 -1.998 -6.188 1.00 10.23 H new ATOM 0 HG11 VAL A 149 -6.693 -2.951 -4.211 1.00 21.33 H new ATOM 0 HG12 VAL A 149 -5.675 -1.542 -3.829 1.00 21.33 H new ATOM 0 HG13 VAL A 149 -7.444 -1.369 -3.894 1.00 21.33 H new ATOM 0 HG21 VAL A 149 -7.727 -3.194 -6.337 1.00 63.10 H new ATOM 0 HG22 VAL A 149 -8.583 -1.638 -6.225 1.00 63.10 H new ATOM 0 HG23 VAL A 149 -7.521 -1.971 -7.614 1.00 63.10 H new ATOM 2149 N TYR A 150 -5.079 0.503 -7.988 1.00 53.20 N ATOM 2150 CA TYR A 150 -4.877 0.638 -9.392 1.00 45.22 C ATOM 2151 C TYR A 150 -4.477 -0.680 -9.963 1.00 64.21 C ATOM 2152 O TYR A 150 -3.491 -1.297 -9.540 1.00 3.44 O ATOM 2153 CB TYR A 150 -3.911 1.763 -9.745 1.00 40.03 C ATOM 2154 CG TYR A 150 -4.555 3.118 -9.630 1.00 2.23 C ATOM 2155 CD1 TYR A 150 -4.660 3.774 -8.414 1.00 4.40 C ATOM 2156 CD2 TYR A 150 -5.094 3.727 -10.749 1.00 2.43 C ATOM 2157 CE1 TYR A 150 -5.278 5.006 -8.320 1.00 53.53 C ATOM 2158 CE2 TYR A 150 -5.715 4.949 -10.666 1.00 13.22 C ATOM 2159 CZ TYR A 150 -5.805 5.586 -9.453 1.00 4.11 C ATOM 2160 OH TYR A 150 -6.434 6.801 -9.374 1.00 13.32 O ATOM 0 H TYR A 150 -4.239 0.608 -7.419 1.00 53.20 H new ATOM 0 HA TYR A 150 -5.819 0.936 -9.852 1.00 45.22 H new ATOM 0 HB2 TYR A 150 -3.044 1.717 -9.085 1.00 40.03 H new ATOM 0 HB3 TYR A 150 -3.545 1.621 -10.762 1.00 40.03 H new ATOM 0 HD1 TYR A 150 -4.252 3.315 -7.526 1.00 4.40 H new ATOM 0 HD2 TYR A 150 -5.025 3.232 -11.706 1.00 2.43 H new ATOM 0 HE1 TYR A 150 -5.347 5.510 -7.367 1.00 53.53 H new ATOM 0 HE2 TYR A 150 -6.131 5.407 -11.551 1.00 13.22 H new ATOM 0 HH TYR A 150 -6.746 7.066 -10.264 1.00 13.32 H new ATOM 2170 N THR A 151 -5.259 -1.130 -10.877 1.00 53.23 N ATOM 2171 CA THR A 151 -5.099 -2.410 -11.438 1.00 13.42 C ATOM 2172 C THR A 151 -4.746 -2.324 -12.914 1.00 15.24 C ATOM 2173 O THR A 151 -5.515 -1.825 -13.729 1.00 54.14 O ATOM 2174 CB THR A 151 -6.407 -3.173 -11.249 1.00 70.11 C ATOM 2175 OG1 THR A 151 -6.741 -3.142 -9.855 1.00 13.04 O ATOM 2176 CG2 THR A 151 -6.266 -4.607 -11.690 1.00 24.23 C ATOM 0 H THR A 151 -6.043 -0.602 -11.260 1.00 53.23 H new ATOM 0 HA THR A 151 -4.279 -2.928 -10.940 1.00 13.42 H new ATOM 0 HB THR A 151 -7.186 -2.706 -11.852 1.00 70.11 H new ATOM 0 HG1 THR A 151 -7.498 -3.741 -9.687 1.00 13.04 H new ATOM 0 HG21 THR A 151 -7.213 -5.127 -11.544 1.00 24.23 H new ATOM 0 HG22 THR A 151 -5.993 -4.638 -12.745 1.00 24.23 H new ATOM 0 HG23 THR A 151 -5.490 -5.094 -11.100 1.00 24.23 H new ATOM 2182 N LEU A 152 -3.583 -2.782 -13.228 1.00 40.12 N ATOM 2183 CA LEU A 152 -3.104 -2.850 -14.559 1.00 24.25 C ATOM 2184 C LEU A 152 -2.578 -4.243 -14.859 1.00 41.30 C ATOM 2185 O LEU A 152 -1.519 -4.635 -14.327 1.00 37.02 O ATOM 2186 CB LEU A 152 -2.126 -1.666 -14.918 1.00 14.43 C ATOM 2187 CG LEU A 152 -0.855 -1.377 -14.044 1.00 54.43 C ATOM 2188 CD1 LEU A 152 -1.148 -1.240 -12.580 1.00 53.12 C ATOM 2189 CD2 LEU A 152 0.311 -2.302 -14.320 1.00 42.21 C ATOM 2190 OXT LEU A 152 -3.246 -4.971 -15.608 1.00 37.02 O ATOM 0 H LEU A 152 -2.918 -3.131 -12.538 1.00 40.12 H new ATOM 0 HA LEU A 152 -3.938 -2.693 -15.243 1.00 24.25 H new ATOM 0 HB2 LEU A 152 -1.781 -1.835 -15.938 1.00 14.43 H new ATOM 0 HB3 LEU A 152 -2.721 -0.753 -14.929 1.00 14.43 H new ATOM 0 HG LEU A 152 -0.526 -0.392 -14.376 1.00 54.43 H new ATOM 0 HD11 LEU A 152 -0.222 -1.041 -12.041 1.00 53.12 H new ATOM 0 HD12 LEU A 152 -1.843 -0.415 -12.424 1.00 53.12 H new ATOM 0 HD13 LEU A 152 -1.592 -2.164 -12.210 1.00 53.12 H new ATOM 0 HD21 LEU A 152 1.148 -2.035 -13.675 1.00 42.21 H new ATOM 0 HD22 LEU A 152 0.014 -3.332 -14.121 1.00 42.21 H new ATOM 0 HD23 LEU A 152 0.612 -2.207 -15.363 1.00 42.21 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 1.484 0.171 -10.998 1.00 54.31 N HETATM 2200 C2 APR A 186 0.549 -0.449 -10.274 1.00 52.24 C HETATM 2201 N3 APR A 186 0.671 -1.736 -9.955 1.00 34.33 N HETATM 2202 C4 APR A 186 1.735 -2.443 -10.359 1.00 11.15 C HETATM 2203 C5 APR A 186 2.708 -1.842 -11.104 1.00 10.13 C HETATM 2204 C6 APR A 186 2.570 -0.503 -11.425 1.00 3.22 C HETATM 2205 N6 APR A 186 3.501 0.114 -12.139 1.00 20.24 N HETATM 2206 N7 APR A 186 3.644 -2.746 -11.359 1.00 73.21 N HETATM 2207 C8 APR A 186 3.267 -3.900 -10.779 1.00 20.41 C HETATM 2208 N9 APR A 186 2.085 -3.699 -10.164 1.00 52.42 N HETATM 2209 C1' APR A 186 1.279 -4.712 -9.365 1.00 42.13 C HETATM 2210 C2' APR A 186 1.950 -6.139 -9.467 1.00 12.24 C HETATM 2211 O2' APR A 186 1.062 -7.056 -10.027 1.00 52.02 O HETATM 2212 C3' APR A 186 2.241 -6.499 -7.986 1.00 65.41 C HETATM 2213 O3' APR A 186 1.951 -7.834 -7.732 1.00 61.13 O HETATM 2214 O4' APR A 186 1.213 -4.355 -7.974 1.00 61.00 O HETATM 2215 C4' APR A 186 1.248 -5.564 -7.227 1.00 52.34 C HETATM 2216 C5' APR A 186 1.733 -5.337 -5.758 1.00 41.04 C HETATM 2217 O5' APR A 186 2.471 -6.461 -5.260 1.00 65.15 O HETATM 2218 PA APR A 186 2.730 -6.607 -3.673 1.00 23.44 P HETATM 2219 O1A APR A 186 1.524 -7.026 -2.911 1.00 63.41 O HETATM 2220 O2A APR A 186 3.255 -5.151 -3.154 1.00 21.15 O HETATM 2221 O3A APR A 186 3.945 -7.626 -3.471 1.00 42.14 O HETATM 2222 PB APR A 186 5.121 -7.728 -4.550 1.00 2.33 P HETATM 2223 O1B APR A 186 5.073 -6.669 -5.615 1.00 24.35 O HETATM 2224 O2B APR A 186 5.067 -9.217 -5.194 1.00 41.44 O HETATM 2225 O5D APR A 186 6.491 -7.658 -3.723 1.00 41.53 O HETATM 2226 C5D APR A 186 6.529 -8.160 -2.387 1.00 23.40 C HETATM 2227 O4D APR A 186 7.800 -10.180 -2.953 1.00 12.32 O HETATM 2228 O1D APR A 186 9.337 -8.880 -1.661 1.00 13.13 O HETATM 2229 C1D APR A 186 8.754 -10.196 -1.901 1.00 45.15 C HETATM 2230 O2D APR A 186 8.079 -12.068 -0.493 1.00 4.21 O HETATM 2231 C2D APR A 186 7.994 -10.684 -0.621 1.00 52.14 C HETATM 2232 O3D APR A 186 5.602 -11.262 -0.748 1.00 22.42 O HETATM 2233 C3D APR A 186 6.535 -10.242 -0.909 1.00 53.04 C HETATM 2234 C4D APR A 186 6.597 -9.707 -2.389 1.00 15.21 C HETATM 0 HR'4 APR A 186 5.754 -10.062 -2.982 1.00 15.21 H new HETATM 0 HR'3 APR A 186 6.191 -9.489 -0.200 1.00 53.04 H new HETATM 0 HR'2 APR A 186 8.396 -10.279 0.308 1.00 52.14 H new HETATM 0 HR'1 APR A 186 9.582 -10.854 -2.164 1.00 45.15 H new HETATM 0 HOR3 APR A 186 5.762 -11.961 -1.416 1.00 22.42 H new HETATM 0 HOR2 APR A 186 7.208 -12.426 -0.223 1.00 4.21 H new HETATM 0 HOR1 APR A 186 9.986 -8.938 -0.929 1.00 13.13 H new HETATM 0 HO'3 APR A 186 2.008 -8.003 -6.768 1.00 61.13 H new HETATM 0 HO'2 APR A 186 1.102 -7.898 -9.526 1.00 52.02 H new HETATM 0 H5R2 APR A 186 7.394 -7.753 -1.864 1.00 23.40 H new HETATM 0 H5R1 APR A 186 5.644 -7.830 -1.843 1.00 23.40 H new HETATM 0 H5'2 APR A 186 2.358 -4.445 -5.715 1.00 41.04 H new HETATM 0 H5'1 APR A 186 0.872 -5.154 -5.115 1.00 41.04 H new HETATM 0 H8 APR A 186 3.823 -4.837 -10.803 1.00 20.41 H new HETATM 0 H62 APR A 186 4.321 -0.400 -12.460 1.00 20.24 H new HETATM 0 H61 APR A 186 3.397 1.103 -12.367 1.00 20.24 H new HETATM 0 H2 APR A 186 -0.327 0.107 -9.939 1.00 52.24 H new HETATM 0 H'4 APR A 186 0.249 -5.994 -7.149 1.00 52.34 H new HETATM 0 H'3 APR A 186 3.284 -6.368 -7.698 1.00 65.41 H new HETATM 0 H'2 APR A 186 2.840 -6.152 -10.096 1.00 12.24 H new HETATM 0 H'1 APR A 186 0.273 -4.724 -9.783 1.00 42.13 H new