USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 132 THR OG1 : rot 180:sc= 0.834 USER MOD Set 1.2: A 133 LYS NZ :NH3+ -141:sc= -3.47! (180deg=-5.6!) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.351 X(o=-0.35,f=0.02) USER MOD Set 2.2: A 117 SER OG : rot -160:sc= 0 USER MOD Set 3.1: A 20 GLN : amide:sc= 0.728 K(o=1.4,f=-7.8) USER MOD Set 3.2: A 52 GLN : amide:sc= -0.548 K(o=1.4,f=-4.3) USER MOD Set 3.3: A 107 LYS NZ :NH3+ -176:sc= 1.19 (180deg=0.0684) USER MOD Set 4.1: A 54 ASN :FLIP amide:sc= -0.59 F(o=-1.8!,f=-0.8) USER MOD Set 4.2: A 55 HIS :FLIP no HD1:sc= -0.21 F(o=-2.8,f=-0.8) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 9 SER OG : rot 77:sc= 1.09 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 38:sc= -0.0508 USER MOD Single : A 22 THR OG1 : rot -75:sc= 1.18 USER MOD Single : A 36 THR OG1 : rot -111:sc= 0.038 USER MOD Single : A 37 SER OG : rot 180:sc= -0.85 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0.878 (180deg=0.831) USER MOD Single : A 43 THR OG1 : rot 85:sc= 1 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.767 X(o=-0.77,f=-0.75) USER MOD Single : A 62 MET CE :methyl 162:sc= -0.0852 (180deg=-0.491) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0674 (180deg=-0.362) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= -0.0282 (180deg=-0.172) USER MOD Single : A 70 ASN : amide:sc= -0.415 K(o=-0.41,f=-8.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 154:sc= 0 (180deg=-2.43) USER MOD Single : A 83 HIS :FLIP no HE2:sc= 0.393 F(o=-1.5,f=0.39) USER MOD Single : A 97 THR OG1 : rot 77:sc= 0.743 USER MOD Single : A 100 SER OG : rot 81:sc= 0.814 USER MOD Single : A 108 HIS : no HE2:sc=-0.00621 K(o=-0.0062,f=-3.7!) USER MOD Single : A 110 LYS NZ :NH3+ -151:sc= 0.0837 (180deg=-0.0806) USER MOD Single : A 111 THR OG1 : rot 72:sc= 0.807 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 66:sc= 0.661 USER MOD Single : A 126 THR OG1 : rot 76:sc= -0.488 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.017) USER MOD Single : A 151 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 3.052 -2.358 -5.929 1.00 14.44 N ATOM 36 CA ASP A 3 3.521 -2.661 -7.285 1.00 14.10 C ATOM 37 C ASP A 3 2.503 -3.502 -8.078 1.00 74.53 C ATOM 38 O ASP A 3 1.678 -4.214 -7.494 1.00 71.12 O ATOM 39 CB ASP A 3 4.854 -3.409 -7.205 1.00 50.24 C ATOM 40 CG ASP A 3 5.895 -2.644 -6.405 1.00 5.34 C ATOM 41 OD1 ASP A 3 5.765 -2.575 -5.162 1.00 71.34 O ATOM 42 OD2 ASP A 3 6.841 -2.103 -7.010 1.00 5.22 O ATOM 0 HA ASP A 3 3.646 -1.715 -7.813 1.00 14.10 H new ATOM 0 HB2 ASP A 3 4.694 -4.386 -6.749 1.00 50.24 H new ATOM 0 HB3 ASP A 3 5.230 -3.586 -8.213 1.00 50.24 H new ATOM 47 N GLU A 4 2.581 -3.429 -9.409 1.00 72.14 N ATOM 48 CA GLU A 4 1.671 -4.181 -10.284 1.00 41.22 C ATOM 49 C GLU A 4 1.644 -5.673 -9.916 1.00 11.43 C ATOM 50 O GLU A 4 0.575 -6.270 -9.815 1.00 70.24 O ATOM 51 CB GLU A 4 2.079 -4.008 -11.754 1.00 24.13 C ATOM 52 CG GLU A 4 1.193 -4.775 -12.733 1.00 70.31 C ATOM 53 CD GLU A 4 1.602 -4.574 -14.183 1.00 50.02 C ATOM 54 OE1 GLU A 4 2.440 -5.351 -14.687 1.00 74.24 O ATOM 55 OE2 GLU A 4 1.082 -3.641 -14.829 1.00 71.04 O ATOM 0 H GLU A 4 3.264 -2.858 -9.907 1.00 72.14 H new ATOM 0 HA GLU A 4 0.667 -3.780 -10.142 1.00 41.22 H new ATOM 0 HB2 GLU A 4 2.051 -2.948 -12.007 1.00 24.13 H new ATOM 0 HB3 GLU A 4 3.111 -4.338 -11.876 1.00 24.13 H new ATOM 0 HG2 GLU A 4 1.231 -5.838 -12.494 1.00 70.31 H new ATOM 0 HG3 GLU A 4 0.158 -4.457 -12.605 1.00 70.31 H new ATOM 62 N LEU A 5 2.824 -6.257 -9.701 1.00 61.34 N ATOM 63 CA LEU A 5 2.942 -7.662 -9.288 1.00 21.54 C ATOM 64 C LEU A 5 2.137 -7.957 -8.008 1.00 42.53 C ATOM 65 O LEU A 5 1.475 -8.993 -7.904 1.00 32.32 O ATOM 66 CB LEU A 5 4.418 -8.022 -9.072 1.00 62.51 C ATOM 67 CG LEU A 5 4.695 -9.485 -8.674 1.00 65.24 C ATOM 68 CD1 LEU A 5 4.223 -10.446 -9.764 1.00 70.05 C ATOM 69 CD2 LEU A 5 6.179 -9.690 -8.376 1.00 54.44 C ATOM 0 H LEU A 5 3.718 -5.778 -9.806 1.00 61.34 H new ATOM 0 HA LEU A 5 2.526 -8.276 -10.087 1.00 21.54 H new ATOM 0 HB2 LEU A 5 4.965 -7.804 -9.989 1.00 62.51 H new ATOM 0 HB3 LEU A 5 4.823 -7.371 -8.297 1.00 62.51 H new ATOM 0 HG LEU A 5 4.131 -9.702 -7.767 1.00 65.24 H new ATOM 0 HD11 LEU A 5 4.430 -11.472 -9.459 1.00 70.05 H new ATOM 0 HD12 LEU A 5 3.151 -10.322 -9.919 1.00 70.05 H new ATOM 0 HD13 LEU A 5 4.751 -10.230 -10.693 1.00 70.05 H new ATOM 0 HD21 LEU A 5 6.354 -10.729 -8.097 1.00 54.44 H new ATOM 0 HD22 LEU A 5 6.765 -9.449 -9.263 1.00 54.44 H new ATOM 0 HD23 LEU A 5 6.479 -9.039 -7.555 1.00 54.44 H new ATOM 81 N TYR A 6 2.191 -7.045 -7.038 1.00 73.02 N ATOM 82 CA TYR A 6 1.455 -7.216 -5.779 1.00 4.53 C ATOM 83 C TYR A 6 -0.061 -7.151 -6.023 1.00 43.12 C ATOM 84 O TYR A 6 -0.806 -8.040 -5.610 1.00 21.32 O ATOM 85 CB TYR A 6 1.873 -6.141 -4.762 1.00 22.43 C ATOM 86 CG TYR A 6 1.298 -6.356 -3.367 1.00 65.13 C ATOM 87 CD1 TYR A 6 -0.010 -5.982 -3.060 1.00 32.51 C ATOM 88 CD2 TYR A 6 2.065 -6.930 -2.356 1.00 74.15 C ATOM 89 CE1 TYR A 6 -0.533 -6.181 -1.796 1.00 2.25 C ATOM 90 CE2 TYR A 6 1.546 -7.131 -1.091 1.00 63.50 C ATOM 91 CZ TYR A 6 0.249 -6.752 -0.815 1.00 13.34 C ATOM 92 OH TYR A 6 -0.269 -6.949 0.448 1.00 32.22 O ATOM 0 H TYR A 6 2.733 -6.183 -7.096 1.00 73.02 H new ATOM 0 HA TYR A 6 1.699 -8.198 -5.373 1.00 4.53 H new ATOM 0 HB2 TYR A 6 2.961 -6.119 -4.697 1.00 22.43 H new ATOM 0 HB3 TYR A 6 1.556 -5.165 -5.129 1.00 22.43 H new ATOM 0 HD1 TYR A 6 -0.625 -5.529 -3.823 1.00 32.51 H new ATOM 0 HD2 TYR A 6 3.083 -7.223 -2.564 1.00 74.15 H new ATOM 0 HE1 TYR A 6 -1.550 -5.890 -1.578 1.00 2.25 H new ATOM 0 HE2 TYR A 6 2.154 -7.583 -0.321 1.00 63.50 H new ATOM 0 HH TYR A 6 0.411 -7.362 1.020 1.00 32.22 H new ATOM 102 N ARG A 7 -0.504 -6.091 -6.700 1.00 5.21 N ATOM 103 CA ARG A 7 -1.926 -5.910 -7.031 1.00 53.23 C ATOM 104 C ARG A 7 -2.452 -7.073 -7.885 1.00 40.23 C ATOM 105 O ARG A 7 -3.591 -7.510 -7.728 1.00 43.13 O ATOM 106 CB ARG A 7 -2.126 -4.578 -7.771 1.00 12.52 C ATOM 107 CG ARG A 7 -1.730 -3.354 -6.948 1.00 70.43 C ATOM 108 CD ARG A 7 -2.685 -3.119 -5.777 1.00 71.41 C ATOM 109 NE ARG A 7 -3.997 -2.648 -6.224 1.00 21.42 N ATOM 110 CZ ARG A 7 -5.138 -3.026 -5.712 1.00 11.34 C ATOM 111 NH1 ARG A 7 -5.191 -3.940 -4.798 1.00 63.42 N ATOM 112 NH2 ARG A 7 -6.233 -2.491 -6.131 1.00 72.35 N ATOM 0 H ARG A 7 0.101 -5.340 -7.033 1.00 5.21 H new ATOM 0 HA ARG A 7 -2.492 -5.894 -6.100 1.00 53.23 H new ATOM 0 HB2 ARG A 7 -1.541 -4.592 -8.690 1.00 12.52 H new ATOM 0 HB3 ARG A 7 -3.173 -4.487 -8.061 1.00 12.52 H new ATOM 0 HG2 ARG A 7 -0.716 -3.484 -6.569 1.00 70.43 H new ATOM 0 HG3 ARG A 7 -1.720 -2.473 -7.590 1.00 70.43 H new ATOM 0 HD2 ARG A 7 -2.805 -4.046 -5.215 1.00 71.41 H new ATOM 0 HD3 ARG A 7 -2.250 -2.387 -5.096 1.00 71.41 H new ATOM 0 HE ARG A 7 -4.022 -1.976 -6.991 1.00 21.42 H new ATOM 0 HH11 ARG A 7 -4.332 -4.379 -4.465 1.00 63.42 H new ATOM 0 HH12 ARG A 7 -6.091 -4.222 -4.410 1.00 63.42 H new ATOM 0 HH21 ARG A 7 -6.206 -1.777 -6.859 1.00 72.35 H new ATOM 0 HH22 ARG A 7 -7.127 -2.782 -5.735 1.00 72.35 H new ATOM 126 N GLN A 8 -1.605 -7.565 -8.785 1.00 63.34 N ATOM 127 CA GLN A 8 -1.934 -8.707 -9.644 1.00 43.21 C ATOM 128 C GLN A 8 -2.117 -9.992 -8.825 1.00 2.12 C ATOM 129 O GLN A 8 -3.127 -10.684 -8.949 1.00 3.22 O ATOM 130 CB GLN A 8 -0.824 -8.902 -10.686 1.00 71.04 C ATOM 131 CG GLN A 8 -0.993 -10.145 -11.552 1.00 12.31 C ATOM 132 CD GLN A 8 0.094 -10.276 -12.607 1.00 2.12 C ATOM 133 OE1 GLN A 8 0.639 -9.288 -13.084 1.00 14.23 O ATOM 134 NE2 GLN A 8 0.407 -11.495 -12.994 1.00 74.30 N ATOM 0 H GLN A 8 -0.671 -7.186 -8.942 1.00 63.34 H new ATOM 0 HA GLN A 8 -2.878 -8.496 -10.146 1.00 43.21 H new ATOM 0 HB2 GLN A 8 -0.789 -8.025 -11.332 1.00 71.04 H new ATOM 0 HB3 GLN A 8 0.136 -8.958 -10.172 1.00 71.04 H new ATOM 0 HG2 GLN A 8 -0.985 -11.030 -10.916 1.00 12.31 H new ATOM 0 HG3 GLN A 8 -1.967 -10.113 -12.041 1.00 12.31 H new ATOM 0 HE21 GLN A 8 -0.064 -12.299 -12.579 1.00 74.30 H new ATOM 0 HE22 GLN A 8 1.121 -11.636 -13.709 1.00 74.30 H new ATOM 143 N SER A 9 -1.129 -10.305 -7.992 1.00 22.00 N ATOM 144 CA SER A 9 -1.190 -11.490 -7.127 1.00 41.25 C ATOM 145 C SER A 9 -2.431 -11.447 -6.226 1.00 5.13 C ATOM 146 O SER A 9 -3.182 -12.418 -6.139 1.00 73.12 O ATOM 147 CB SER A 9 0.080 -11.594 -6.272 1.00 72.14 C ATOM 148 OG SER A 9 1.243 -11.655 -7.088 1.00 0.04 O ATOM 0 H SER A 9 -0.274 -9.757 -7.894 1.00 22.00 H new ATOM 0 HA SER A 9 -1.259 -12.371 -7.765 1.00 41.25 H new ATOM 0 HB2 SER A 9 0.145 -10.734 -5.605 1.00 72.14 H new ATOM 0 HB3 SER A 9 0.027 -12.482 -5.643 1.00 72.14 H new ATOM 0 HG SER A 9 1.447 -10.761 -7.434 1.00 0.04 H new ATOM 154 N LEU A 10 -2.649 -10.304 -5.574 1.00 53.32 N ATOM 155 CA LEU A 10 -3.831 -10.102 -4.727 1.00 21.10 C ATOM 156 C LEU A 10 -5.130 -10.247 -5.537 1.00 55.10 C ATOM 157 O LEU A 10 -6.107 -10.824 -5.066 1.00 63.32 O ATOM 158 CB LEU A 10 -3.772 -8.715 -4.067 1.00 73.14 C ATOM 159 CG LEU A 10 -4.948 -8.372 -3.136 1.00 71.14 C ATOM 160 CD1 LEU A 10 -5.057 -9.388 -2.001 1.00 55.55 C ATOM 161 CD2 LEU A 10 -4.803 -6.954 -2.584 1.00 21.44 C ATOM 0 H LEU A 10 -2.022 -9.501 -5.615 1.00 53.32 H new ATOM 0 HA LEU A 10 -3.830 -10.871 -3.954 1.00 21.10 H new ATOM 0 HB2 LEU A 10 -2.847 -8.643 -3.496 1.00 73.14 H new ATOM 0 HB3 LEU A 10 -3.721 -7.961 -4.852 1.00 73.14 H new ATOM 0 HG LEU A 10 -5.868 -8.418 -3.719 1.00 71.14 H new ATOM 0 HD11 LEU A 10 -5.895 -9.125 -1.356 1.00 55.55 H new ATOM 0 HD12 LEU A 10 -5.218 -10.383 -2.417 1.00 55.55 H new ATOM 0 HD13 LEU A 10 -4.136 -9.383 -1.418 1.00 55.55 H new ATOM 0 HD21 LEU A 10 -5.645 -6.731 -1.928 1.00 21.44 H new ATOM 0 HD22 LEU A 10 -3.873 -6.876 -2.021 1.00 21.44 H new ATOM 0 HD23 LEU A 10 -4.788 -6.242 -3.409 1.00 21.44 H new ATOM 173 N GLU A 11 -5.121 -9.724 -6.758 1.00 72.44 N ATOM 174 CA GLU A 11 -6.269 -9.812 -7.668 1.00 53.30 C ATOM 175 C GLU A 11 -6.667 -11.276 -7.936 1.00 55.45 C ATOM 176 O GLU A 11 -7.829 -11.665 -7.753 1.00 44.45 O ATOM 177 CB GLU A 11 -5.905 -9.095 -8.978 1.00 0.53 C ATOM 178 CG GLU A 11 -6.899 -9.271 -10.119 1.00 23.55 C ATOM 179 CD GLU A 11 -6.491 -8.479 -11.353 1.00 50.51 C ATOM 180 OE1 GLU A 11 -5.506 -8.868 -12.026 1.00 10.14 O ATOM 181 OE2 GLU A 11 -7.153 -7.459 -11.655 1.00 4.42 O ATOM 0 H GLU A 11 -4.321 -9.227 -7.149 1.00 72.44 H new ATOM 0 HA GLU A 11 -7.132 -9.331 -7.207 1.00 53.30 H new ATOM 0 HB2 GLU A 11 -5.800 -8.030 -8.772 1.00 0.53 H new ATOM 0 HB3 GLU A 11 -4.930 -9.453 -9.310 1.00 0.53 H new ATOM 0 HG2 GLU A 11 -6.975 -10.328 -10.375 1.00 23.55 H new ATOM 0 HG3 GLU A 11 -7.888 -8.950 -9.792 1.00 23.55 H new ATOM 188 N ILE A 12 -5.686 -12.083 -8.337 1.00 50.35 N ATOM 189 CA ILE A 12 -5.905 -13.506 -8.626 1.00 54.24 C ATOM 190 C ILE A 12 -6.342 -14.277 -7.367 1.00 1.45 C ATOM 191 O ILE A 12 -7.365 -14.968 -7.366 1.00 13.51 O ATOM 192 CB ILE A 12 -4.615 -14.164 -9.184 1.00 50.50 C ATOM 193 CG1 ILE A 12 -4.086 -13.383 -10.397 1.00 62.31 C ATOM 194 CG2 ILE A 12 -4.875 -15.623 -9.558 1.00 72.41 C ATOM 195 CD1 ILE A 12 -2.730 -13.855 -10.886 1.00 70.35 C ATOM 0 H ILE A 12 -4.723 -11.775 -8.471 1.00 50.35 H new ATOM 0 HA ILE A 12 -6.698 -13.556 -9.372 1.00 54.24 H new ATOM 0 HB ILE A 12 -3.855 -14.138 -8.403 1.00 50.50 H new ATOM 0 HG12 ILE A 12 -4.805 -13.466 -11.212 1.00 62.31 H new ATOM 0 HG13 ILE A 12 -4.020 -12.327 -10.136 1.00 62.31 H new ATOM 0 HG21 ILE A 12 -3.959 -16.068 -9.947 1.00 72.41 H new ATOM 0 HG22 ILE A 12 -5.198 -16.173 -8.674 1.00 72.41 H new ATOM 0 HG23 ILE A 12 -5.653 -15.670 -10.320 1.00 72.41 H new ATOM 0 HD11 ILE A 12 -2.424 -13.256 -11.744 1.00 70.35 H new ATOM 0 HD12 ILE A 12 -1.997 -13.746 -10.087 1.00 70.35 H new ATOM 0 HD13 ILE A 12 -2.794 -14.903 -11.179 1.00 70.35 H new ATOM 207 N ILE A 13 -5.556 -14.146 -6.301 1.00 23.03 N ATOM 208 CA ILE A 13 -5.794 -14.875 -5.050 1.00 70.20 C ATOM 209 C ILE A 13 -7.137 -14.489 -4.399 1.00 4.22 C ATOM 210 O ILE A 13 -7.929 -15.361 -4.037 1.00 74.13 O ATOM 211 CB ILE A 13 -4.633 -14.633 -4.048 1.00 63.14 C ATOM 212 CG1 ILE A 13 -3.301 -15.111 -4.659 1.00 3.43 C ATOM 213 CG2 ILE A 13 -4.905 -15.336 -2.718 1.00 4.43 C ATOM 214 CD1 ILE A 13 -2.080 -14.792 -3.818 1.00 12.53 C ATOM 0 H ILE A 13 -4.739 -13.536 -6.276 1.00 23.03 H new ATOM 0 HA ILE A 13 -5.840 -15.934 -5.302 1.00 70.20 H new ATOM 0 HB ILE A 13 -4.562 -13.564 -3.850 1.00 63.14 H new ATOM 0 HG12 ILE A 13 -3.351 -16.189 -4.812 1.00 3.43 H new ATOM 0 HG13 ILE A 13 -3.181 -14.655 -5.642 1.00 3.43 H new ATOM 0 HG21 ILE A 13 -4.077 -15.151 -2.033 1.00 4.43 H new ATOM 0 HG22 ILE A 13 -5.828 -14.950 -2.285 1.00 4.43 H new ATOM 0 HG23 ILE A 13 -5.004 -16.408 -2.887 1.00 4.43 H new ATOM 0 HD11 ILE A 13 -1.186 -15.162 -4.320 1.00 12.53 H new ATOM 0 HD12 ILE A 13 -2.001 -13.713 -3.686 1.00 12.53 H new ATOM 0 HD13 ILE A 13 -2.174 -15.271 -2.844 1.00 12.53 H new ATOM 226 N SER A 14 -7.392 -13.184 -4.262 1.00 30.11 N ATOM 227 CA SER A 14 -8.649 -12.695 -3.667 1.00 20.42 C ATOM 228 C SER A 14 -9.866 -13.279 -4.392 1.00 44.22 C ATOM 229 O SER A 14 -10.776 -13.840 -3.759 1.00 31.35 O ATOM 230 CB SER A 14 -8.715 -11.160 -3.701 1.00 62.14 C ATOM 231 OG SER A 14 -9.912 -10.677 -3.112 1.00 15.13 O ATOM 0 H SER A 14 -6.750 -12.446 -4.552 1.00 30.11 H new ATOM 0 HA SER A 14 -8.667 -13.025 -2.628 1.00 20.42 H new ATOM 0 HB2 SER A 14 -7.856 -10.746 -3.173 1.00 62.14 H new ATOM 0 HB3 SER A 14 -8.651 -10.815 -4.733 1.00 62.14 H new ATOM 0 HG SER A 14 -9.922 -9.698 -3.148 1.00 15.13 H new ATOM 237 N ARG A 15 -9.875 -13.165 -5.727 1.00 55.23 N ATOM 238 CA ARG A 15 -10.934 -13.780 -6.529 1.00 5.32 C ATOM 239 C ARG A 15 -11.036 -15.278 -6.229 1.00 41.00 C ATOM 240 O ARG A 15 -12.091 -15.767 -5.843 1.00 61.11 O ATOM 241 CB ARG A 15 -10.693 -13.581 -8.034 1.00 63.23 C ATOM 242 CG ARG A 15 -10.839 -12.142 -8.515 1.00 10.11 C ATOM 243 CD ARG A 15 -10.802 -12.064 -10.039 1.00 71.12 C ATOM 244 NE ARG A 15 -10.925 -10.695 -10.533 1.00 14.22 N ATOM 245 CZ ARG A 15 -11.727 -10.327 -11.498 1.00 14.34 C ATOM 246 NH1 ARG A 15 -12.536 -11.178 -12.052 1.00 74.10 N ATOM 247 NH2 ARG A 15 -11.721 -9.103 -11.903 1.00 2.11 N ATOM 0 H ARG A 15 -9.171 -12.660 -6.265 1.00 55.23 H new ATOM 0 HA ARG A 15 -11.868 -13.288 -6.259 1.00 5.32 H new ATOM 0 HB2 ARG A 15 -9.690 -13.932 -8.278 1.00 63.23 H new ATOM 0 HB3 ARG A 15 -11.393 -14.208 -8.587 1.00 63.23 H new ATOM 0 HG2 ARG A 15 -11.778 -11.727 -8.150 1.00 10.11 H new ATOM 0 HG3 ARG A 15 -10.037 -11.533 -8.097 1.00 10.11 H new ATOM 0 HD2 ARG A 15 -9.867 -12.494 -10.399 1.00 71.12 H new ATOM 0 HD3 ARG A 15 -11.610 -12.669 -10.450 1.00 71.12 H new ATOM 0 HE ARG A 15 -10.346 -9.978 -10.096 1.00 14.22 H new ATOM 0 HH11 ARG A 15 -12.551 -12.147 -11.735 1.00 74.10 H new ATOM 0 HH12 ARG A 15 -13.156 -10.877 -12.804 1.00 74.10 H new ATOM 0 HH21 ARG A 15 -11.092 -8.426 -11.471 1.00 2.11 H new ATOM 0 HH22 ARG A 15 -12.345 -8.812 -12.655 1.00 2.11 H new ATOM 261 N TYR A 16 -9.913 -15.986 -6.367 1.00 12.43 N ATOM 262 CA TYR A 16 -9.880 -17.446 -6.211 1.00 60.24 C ATOM 263 C TYR A 16 -10.495 -17.911 -4.880 1.00 44.02 C ATOM 264 O TYR A 16 -11.273 -18.868 -4.850 1.00 1.33 O ATOM 265 CB TYR A 16 -8.438 -17.957 -6.319 1.00 13.15 C ATOM 266 CG TYR A 16 -8.322 -19.458 -6.135 1.00 71.43 C ATOM 267 CD1 TYR A 16 -8.833 -20.333 -7.083 1.00 41.24 C ATOM 268 CD2 TYR A 16 -7.712 -19.998 -5.009 1.00 43.24 C ATOM 269 CE1 TYR A 16 -8.737 -21.698 -6.915 1.00 63.34 C ATOM 270 CE2 TYR A 16 -7.610 -21.364 -4.836 1.00 10.11 C ATOM 271 CZ TYR A 16 -8.125 -22.210 -5.793 1.00 3.54 C ATOM 272 OH TYR A 16 -8.030 -23.573 -5.629 1.00 5.15 O ATOM 0 H TYR A 16 -9.008 -15.571 -6.588 1.00 12.43 H new ATOM 0 HA TYR A 16 -10.485 -17.865 -7.015 1.00 60.24 H new ATOM 0 HB2 TYR A 16 -8.035 -17.685 -7.294 1.00 13.15 H new ATOM 0 HB3 TYR A 16 -7.825 -17.457 -5.569 1.00 13.15 H new ATOM 0 HD1 TYR A 16 -9.313 -19.939 -7.966 1.00 41.24 H new ATOM 0 HD2 TYR A 16 -7.310 -19.337 -4.255 1.00 43.24 H new ATOM 0 HE1 TYR A 16 -9.141 -22.365 -7.662 1.00 63.34 H new ATOM 0 HE2 TYR A 16 -7.130 -21.766 -3.956 1.00 10.11 H new ATOM 0 HH TYR A 16 -7.853 -23.995 -6.495 1.00 5.15 H new ATOM 282 N LEU A 17 -10.147 -17.241 -3.785 1.00 74.52 N ATOM 283 CA LEU A 17 -10.703 -17.580 -2.470 1.00 23.34 C ATOM 284 C LEU A 17 -12.237 -17.472 -2.461 1.00 50.31 C ATOM 285 O LEU A 17 -12.932 -18.412 -2.062 1.00 40.30 O ATOM 286 CB LEU A 17 -10.091 -16.688 -1.375 1.00 63.50 C ATOM 287 CG LEU A 17 -8.800 -17.225 -0.724 1.00 63.32 C ATOM 288 CD1 LEU A 17 -7.725 -17.526 -1.766 1.00 20.52 C ATOM 289 CD2 LEU A 17 -8.278 -16.240 0.321 1.00 33.23 C ATOM 0 H LEU A 17 -9.487 -16.464 -3.777 1.00 74.52 H new ATOM 0 HA LEU A 17 -10.443 -18.617 -2.259 1.00 23.34 H new ATOM 0 HB2 LEU A 17 -9.880 -15.709 -1.805 1.00 63.50 H new ATOM 0 HB3 LEU A 17 -10.836 -16.539 -0.594 1.00 63.50 H new ATOM 0 HG LEU A 17 -9.046 -18.164 -0.228 1.00 63.32 H new ATOM 0 HD11 LEU A 17 -6.831 -17.902 -1.268 1.00 20.52 H new ATOM 0 HD12 LEU A 17 -8.095 -18.277 -2.464 1.00 20.52 H new ATOM 0 HD13 LEU A 17 -7.481 -16.614 -2.310 1.00 20.52 H new ATOM 0 HD21 LEU A 17 -7.367 -16.635 0.770 1.00 33.23 H new ATOM 0 HD22 LEU A 17 -8.063 -15.284 -0.156 1.00 33.23 H new ATOM 0 HD23 LEU A 17 -9.032 -16.098 1.095 1.00 33.23 H new ATOM 301 N ARG A 18 -12.770 -16.336 -2.912 1.00 13.13 N ATOM 302 CA ARG A 18 -14.229 -16.161 -2.970 1.00 72.30 C ATOM 303 C ARG A 18 -14.874 -17.055 -4.053 1.00 11.30 C ATOM 304 O ARG A 18 -16.044 -17.434 -3.942 1.00 72.24 O ATOM 305 CB ARG A 18 -14.596 -14.681 -3.165 1.00 15.51 C ATOM 306 CG ARG A 18 -14.101 -13.790 -2.020 1.00 12.35 C ATOM 307 CD ARG A 18 -14.910 -12.502 -1.879 1.00 53.24 C ATOM 308 NE ARG A 18 -14.776 -11.614 -3.032 1.00 41.25 N ATOM 309 CZ ARG A 18 -14.984 -10.324 -2.988 1.00 72.24 C ATOM 310 NH1 ARG A 18 -15.296 -9.739 -1.872 1.00 55.43 N ATOM 311 NH2 ARG A 18 -14.876 -9.615 -4.062 1.00 43.34 N ATOM 0 H ARG A 18 -12.229 -15.535 -3.238 1.00 13.13 H new ATOM 0 HA ARG A 18 -14.637 -16.483 -2.012 1.00 72.30 H new ATOM 0 HB2 ARG A 18 -14.171 -14.327 -4.104 1.00 15.51 H new ATOM 0 HB3 ARG A 18 -15.679 -14.588 -3.250 1.00 15.51 H new ATOM 0 HG2 ARG A 18 -14.149 -14.348 -1.085 1.00 12.35 H new ATOM 0 HG3 ARG A 18 -13.054 -13.539 -2.188 1.00 12.35 H new ATOM 0 HD2 ARG A 18 -15.962 -12.753 -1.741 1.00 53.24 H new ATOM 0 HD3 ARG A 18 -14.588 -11.974 -0.981 1.00 53.24 H new ATOM 0 HE ARG A 18 -14.504 -12.025 -3.925 1.00 41.25 H new ATOM 0 HH11 ARG A 18 -15.381 -10.287 -1.016 1.00 55.43 H new ATOM 0 HH12 ARG A 18 -15.456 -8.732 -1.851 1.00 55.43 H new ATOM 0 HH21 ARG A 18 -14.628 -10.061 -4.945 1.00 43.34 H new ATOM 0 HH22 ARG A 18 -15.038 -8.609 -4.027 1.00 43.34 H new ATOM 325 N GLU A 19 -14.102 -17.402 -5.085 1.00 44.53 N ATOM 326 CA GLU A 19 -14.544 -18.354 -6.119 1.00 2.15 C ATOM 327 C GLU A 19 -14.765 -19.748 -5.513 1.00 51.14 C ATOM 328 O GLU A 19 -15.731 -20.436 -5.838 1.00 40.43 O ATOM 329 CB GLU A 19 -13.498 -18.450 -7.247 1.00 44.04 C ATOM 330 CG GLU A 19 -13.354 -17.184 -8.092 1.00 15.21 C ATOM 331 CD GLU A 19 -14.398 -17.073 -9.191 1.00 51.44 C ATOM 332 OE1 GLU A 19 -15.569 -16.759 -8.887 1.00 74.30 O ATOM 333 OE2 GLU A 19 -14.041 -17.298 -10.369 1.00 74.33 O ATOM 0 H GLU A 19 -13.161 -17.038 -5.232 1.00 44.53 H new ATOM 0 HA GLU A 19 -15.485 -17.989 -6.530 1.00 2.15 H new ATOM 0 HB2 GLU A 19 -12.530 -18.689 -6.807 1.00 44.04 H new ATOM 0 HB3 GLU A 19 -13.764 -19.280 -7.902 1.00 44.04 H new ATOM 0 HG2 GLU A 19 -13.426 -16.312 -7.442 1.00 15.21 H new ATOM 0 HG3 GLU A 19 -12.361 -17.166 -8.541 1.00 15.21 H new ATOM 340 N GLN A 20 -13.850 -20.154 -4.634 1.00 63.44 N ATOM 341 CA GLN A 20 -13.940 -21.448 -3.946 1.00 3.33 C ATOM 342 C GLN A 20 -15.052 -21.459 -2.882 1.00 33.34 C ATOM 343 O GLN A 20 -15.735 -22.468 -2.698 1.00 65.25 O ATOM 344 CB GLN A 20 -12.590 -21.795 -3.299 1.00 44.23 C ATOM 345 CG GLN A 20 -11.528 -22.274 -4.286 1.00 32.14 C ATOM 346 CD GLN A 20 -11.860 -23.630 -4.889 1.00 44.31 C ATOM 347 OE1 GLN A 20 -11.503 -24.670 -4.345 1.00 65.23 O ATOM 348 NE2 GLN A 20 -12.549 -23.633 -6.013 1.00 64.33 N ATOM 0 H GLN A 20 -13.031 -19.603 -4.378 1.00 63.44 H new ATOM 0 HA GLN A 20 -14.192 -22.200 -4.693 1.00 3.33 H new ATOM 0 HB2 GLN A 20 -12.214 -20.916 -2.776 1.00 44.23 H new ATOM 0 HB3 GLN A 20 -12.748 -22.569 -2.548 1.00 44.23 H new ATOM 0 HG2 GLN A 20 -11.423 -21.541 -5.086 1.00 32.14 H new ATOM 0 HG3 GLN A 20 -10.565 -22.332 -3.778 1.00 32.14 H new ATOM 0 HE21 GLN A 20 -12.831 -22.751 -6.441 1.00 64.33 H new ATOM 0 HE22 GLN A 20 -12.800 -24.517 -6.455 1.00 64.33 H new ATOM 357 N ALA A 21 -15.221 -20.339 -2.180 1.00 42.12 N ATOM 358 CA ALA A 21 -16.258 -20.217 -1.148 1.00 21.11 C ATOM 359 C ALA A 21 -17.674 -20.287 -1.748 1.00 22.41 C ATOM 360 O ALA A 21 -18.558 -20.964 -1.212 1.00 2.11 O ATOM 361 CB ALA A 21 -16.072 -18.914 -0.375 1.00 54.44 C ATOM 0 H ALA A 21 -14.654 -19.500 -2.305 1.00 42.12 H new ATOM 0 HA ALA A 21 -16.151 -21.061 -0.466 1.00 21.11 H new ATOM 0 HB1 ALA A 21 -16.845 -18.831 0.389 1.00 54.44 H new ATOM 0 HB2 ALA A 21 -15.091 -18.909 0.100 1.00 54.44 H new ATOM 0 HB3 ALA A 21 -16.147 -18.070 -1.061 1.00 54.44 H new ATOM 367 N THR A 22 -17.883 -19.590 -2.864 1.00 72.24 N ATOM 368 CA THR A 22 -19.198 -19.551 -3.527 1.00 2.12 C ATOM 369 C THR A 22 -19.370 -20.707 -4.524 1.00 52.02 C ATOM 370 O THR A 22 -20.452 -21.287 -4.639 1.00 74.43 O ATOM 371 CB THR A 22 -19.407 -18.215 -4.278 1.00 2.04 C ATOM 372 OG1 THR A 22 -18.393 -18.055 -5.286 1.00 53.03 O ATOM 373 CG2 THR A 22 -19.361 -17.032 -3.311 1.00 22.31 C ATOM 0 H THR A 22 -17.162 -19.042 -3.333 1.00 72.24 H new ATOM 0 HA THR A 22 -19.943 -19.649 -2.737 1.00 2.12 H new ATOM 0 HB THR A 22 -20.389 -18.239 -4.749 1.00 2.04 H new ATOM 0 HG1 THR A 22 -17.543 -17.816 -4.860 1.00 53.03 H new ATOM 0 HG21 THR A 22 -19.510 -16.104 -3.864 1.00 22.31 H new ATOM 0 HG22 THR A 22 -20.148 -17.141 -2.565 1.00 22.31 H new ATOM 0 HG23 THR A 22 -18.391 -17.006 -2.814 1.00 22.31 H new ATOM 381 N GLY A 23 -18.292 -21.046 -5.227 1.00 31.14 N ATOM 382 CA GLY A 23 -18.329 -22.132 -6.205 1.00 12.31 C ATOM 383 C GLY A 23 -18.512 -21.641 -7.641 1.00 25.31 C ATOM 384 O GLY A 23 -19.094 -22.339 -8.473 1.00 30.13 O ATOM 0 H GLY A 23 -17.385 -20.587 -5.139 1.00 31.14 H new ATOM 0 HA2 GLY A 23 -17.404 -22.704 -6.138 1.00 12.31 H new ATOM 0 HA3 GLY A 23 -19.143 -22.812 -5.953 1.00 12.31 H new ATOM 541 N GLY A 34 -4.293 -9.362 -16.841 1.00 32.11 N ATOM 542 CA GLY A 34 -4.881 -9.749 -18.120 1.00 15.34 C ATOM 543 C GLY A 34 -4.761 -11.248 -18.379 1.00 55.54 C ATOM 544 O GLY A 34 -5.403 -12.050 -17.697 1.00 53.02 O ATOM 0 HA2 GLY A 34 -5.932 -9.462 -18.136 1.00 15.34 H new ATOM 0 HA3 GLY A 34 -4.389 -9.202 -18.924 1.00 15.34 H new ATOM 548 N ALA A 35 -3.921 -11.632 -19.341 1.00 72.01 N ATOM 549 CA ALA A 35 -3.756 -13.044 -19.708 1.00 53.13 C ATOM 550 C ALA A 35 -3.140 -13.871 -18.571 1.00 43.54 C ATOM 551 O ALA A 35 -3.676 -14.918 -18.201 1.00 22.31 O ATOM 552 CB ALA A 35 -2.901 -13.162 -20.964 1.00 50.14 C ATOM 0 H ALA A 35 -3.344 -10.988 -19.881 1.00 72.01 H new ATOM 0 HA ALA A 35 -4.750 -13.448 -19.903 1.00 53.13 H new ATOM 0 HB1 ALA A 35 -2.785 -14.213 -21.228 1.00 50.14 H new ATOM 0 HB2 ALA A 35 -3.386 -12.633 -21.785 1.00 50.14 H new ATOM 0 HB3 ALA A 35 -1.920 -12.724 -20.779 1.00 50.14 H new ATOM 558 N THR A 36 -2.030 -13.390 -18.005 1.00 11.23 N ATOM 559 CA THR A 36 -1.339 -14.108 -16.921 1.00 53.05 C ATOM 560 C THR A 36 -2.276 -14.362 -15.731 1.00 55.52 C ATOM 561 O THR A 36 -2.285 -15.447 -15.150 1.00 5.35 O ATOM 562 CB THR A 36 -0.082 -13.349 -16.421 1.00 21.44 C ATOM 563 OG1 THR A 36 0.852 -13.147 -17.499 1.00 11.43 O ATOM 564 CG2 THR A 36 0.605 -14.113 -15.292 1.00 1.42 C ATOM 0 H THR A 36 -1.589 -12.511 -18.275 1.00 11.23 H new ATOM 0 HA THR A 36 -1.023 -15.061 -17.345 1.00 53.05 H new ATOM 0 HB THR A 36 -0.410 -12.381 -16.044 1.00 21.44 H new ATOM 0 HG1 THR A 36 1.650 -13.695 -17.348 1.00 11.43 H new ATOM 0 HG21 THR A 36 1.483 -13.559 -14.960 1.00 1.42 H new ATOM 0 HG22 THR A 36 -0.087 -14.230 -14.458 1.00 1.42 H new ATOM 0 HG23 THR A 36 0.910 -15.096 -15.651 1.00 1.42 H new ATOM 572 N SER A 37 -3.070 -13.357 -15.381 1.00 73.40 N ATOM 573 CA SER A 37 -4.037 -13.486 -14.283 1.00 52.53 C ATOM 574 C SER A 37 -5.117 -14.533 -14.595 1.00 2.32 C ATOM 575 O SER A 37 -5.459 -15.356 -13.746 1.00 74.02 O ATOM 576 CB SER A 37 -4.695 -12.137 -13.991 1.00 3.13 C ATOM 577 OG SER A 37 -5.615 -12.231 -12.918 1.00 5.23 O ATOM 0 H SER A 37 -3.068 -12.444 -15.836 1.00 73.40 H new ATOM 0 HA SER A 37 -3.487 -13.820 -13.403 1.00 52.53 H new ATOM 0 HB2 SER A 37 -3.928 -11.401 -13.751 1.00 3.13 H new ATOM 0 HB3 SER A 37 -5.210 -11.781 -14.883 1.00 3.13 H new ATOM 0 HG SER A 37 -6.018 -11.353 -12.755 1.00 5.23 H new ATOM 583 N ARG A 38 -5.642 -14.511 -15.821 1.00 24.42 N ATOM 584 CA ARG A 38 -6.694 -15.454 -16.225 1.00 35.03 C ATOM 585 C ARG A 38 -6.184 -16.906 -16.240 1.00 32.45 C ATOM 586 O ARG A 38 -6.775 -17.780 -15.603 1.00 10.24 O ATOM 587 CB ARG A 38 -7.259 -15.075 -17.603 1.00 13.41 C ATOM 588 CG ARG A 38 -7.954 -13.714 -17.632 1.00 11.15 C ATOM 589 CD ARG A 38 -8.491 -13.378 -19.023 1.00 1.14 C ATOM 590 NE ARG A 38 -9.561 -14.284 -19.434 1.00 73.23 N ATOM 591 CZ ARG A 38 -9.495 -15.088 -20.464 1.00 21.14 C ATOM 592 NH1 ARG A 38 -8.438 -15.122 -21.212 1.00 50.34 N ATOM 593 NH2 ARG A 38 -10.495 -15.851 -20.749 1.00 21.44 N ATOM 0 H ARG A 38 -5.360 -13.856 -16.550 1.00 24.42 H new ATOM 0 HA ARG A 38 -7.491 -15.389 -15.484 1.00 35.03 H new ATOM 0 HB2 ARG A 38 -6.447 -15.073 -18.330 1.00 13.41 H new ATOM 0 HB3 ARG A 38 -7.968 -15.841 -17.918 1.00 13.41 H new ATOM 0 HG2 ARG A 38 -8.775 -13.710 -16.915 1.00 11.15 H new ATOM 0 HG3 ARG A 38 -7.253 -12.941 -17.317 1.00 11.15 H new ATOM 0 HD2 ARG A 38 -8.862 -12.353 -19.030 1.00 1.14 H new ATOM 0 HD3 ARG A 38 -7.677 -13.427 -19.747 1.00 1.14 H new ATOM 0 HE ARG A 38 -10.418 -14.290 -18.880 1.00 73.23 H new ATOM 0 HH11 ARG A 38 -7.644 -14.517 -21.001 1.00 50.34 H new ATOM 0 HH12 ARG A 38 -8.400 -15.754 -22.012 1.00 50.34 H new ATOM 0 HH21 ARG A 38 -11.336 -15.827 -20.172 1.00 21.44 H new ATOM 0 HH22 ARG A 38 -10.445 -16.478 -21.552 1.00 21.44 H new ATOM 607 N LYS A 39 -5.080 -17.157 -16.954 1.00 40.32 N ATOM 608 CA LYS A 39 -4.499 -18.506 -17.036 1.00 74.02 C ATOM 609 C LYS A 39 -4.190 -19.061 -15.634 1.00 60.22 C ATOM 610 O LYS A 39 -4.380 -20.249 -15.363 1.00 5.54 O ATOM 611 CB LYS A 39 -3.229 -18.496 -17.911 1.00 30.53 C ATOM 612 CG LYS A 39 -2.090 -17.645 -17.350 1.00 33.44 C ATOM 613 CD LYS A 39 -1.025 -17.313 -18.396 1.00 63.34 C ATOM 614 CE LYS A 39 -0.350 -18.549 -18.970 1.00 62.44 C ATOM 615 NZ LYS A 39 0.760 -18.184 -19.892 1.00 5.00 N ATOM 0 H LYS A 39 -4.571 -16.448 -17.482 1.00 40.32 H new ATOM 0 HA LYS A 39 -5.233 -19.163 -17.502 1.00 74.02 H new ATOM 0 HB2 LYS A 39 -2.877 -19.520 -18.033 1.00 30.53 H new ATOM 0 HB3 LYS A 39 -3.488 -18.128 -18.904 1.00 30.53 H new ATOM 0 HG2 LYS A 39 -2.499 -16.718 -16.949 1.00 33.44 H new ATOM 0 HG3 LYS A 39 -1.623 -18.174 -16.519 1.00 33.44 H new ATOM 0 HD2 LYS A 39 -1.484 -16.747 -19.207 1.00 63.34 H new ATOM 0 HD3 LYS A 39 -0.269 -16.669 -17.946 1.00 63.34 H new ATOM 0 HE2 LYS A 39 0.037 -19.164 -18.158 1.00 62.44 H new ATOM 0 HE3 LYS A 39 -1.085 -19.152 -19.504 1.00 62.44 H new ATOM 0 HZ1 LYS A 39 1.285 -19.041 -20.160 1.00 5.00 H new ATOM 0 HZ2 LYS A 39 0.369 -17.736 -20.746 1.00 5.00 H new ATOM 0 HZ3 LYS A 39 1.403 -17.519 -19.416 1.00 5.00 H new ATOM 629 N ALA A 40 -3.733 -18.188 -14.739 1.00 73.51 N ATOM 630 CA ALA A 40 -3.483 -18.568 -13.348 1.00 63.44 C ATOM 631 C ALA A 40 -4.795 -18.894 -12.616 1.00 4.33 C ATOM 632 O ALA A 40 -4.908 -19.923 -11.954 1.00 1.25 O ATOM 633 CB ALA A 40 -2.732 -17.453 -12.625 1.00 33.43 C ATOM 0 H ALA A 40 -3.528 -17.212 -14.951 1.00 73.51 H new ATOM 0 HA ALA A 40 -2.868 -19.468 -13.347 1.00 63.44 H new ATOM 0 HB1 ALA A 40 -2.552 -17.747 -11.591 1.00 33.43 H new ATOM 0 HB2 ALA A 40 -1.779 -17.274 -13.123 1.00 33.43 H new ATOM 0 HB3 ALA A 40 -3.328 -16.541 -12.644 1.00 33.43 H new ATOM 639 N LEU A 41 -5.792 -18.023 -12.765 1.00 24.32 N ATOM 640 CA LEU A 41 -7.081 -18.176 -12.074 1.00 35.45 C ATOM 641 C LEU A 41 -7.821 -19.462 -12.497 1.00 63.05 C ATOM 642 O LEU A 41 -8.455 -20.127 -11.669 1.00 15.41 O ATOM 643 CB LEU A 41 -7.969 -16.948 -12.337 1.00 22.20 C ATOM 644 CG LEU A 41 -9.314 -16.928 -11.587 1.00 70.33 C ATOM 645 CD1 LEU A 41 -9.093 -16.916 -10.077 1.00 0.11 C ATOM 646 CD2 LEU A 41 -10.161 -15.729 -12.017 1.00 42.33 C ATOM 0 H LEU A 41 -5.735 -17.197 -13.361 1.00 24.32 H new ATOM 0 HA LEU A 41 -6.871 -18.256 -11.007 1.00 35.45 H new ATOM 0 HB2 LEU A 41 -7.409 -16.052 -12.067 1.00 22.20 H new ATOM 0 HB3 LEU A 41 -8.169 -16.889 -13.407 1.00 22.20 H new ATOM 0 HG LEU A 41 -9.856 -17.837 -11.846 1.00 70.33 H new ATOM 0 HD11 LEU A 41 -10.057 -16.902 -9.568 1.00 0.11 H new ATOM 0 HD12 LEU A 41 -8.541 -17.808 -9.783 1.00 0.11 H new ATOM 0 HD13 LEU A 41 -8.523 -16.029 -9.800 1.00 0.11 H new ATOM 0 HD21 LEU A 41 -11.106 -15.737 -11.473 1.00 42.33 H new ATOM 0 HD22 LEU A 41 -9.624 -14.806 -11.797 1.00 42.33 H new ATOM 0 HD23 LEU A 41 -10.358 -15.788 -13.087 1.00 42.33 H new ATOM 658 N GLU A 42 -7.749 -19.805 -13.782 1.00 54.21 N ATOM 659 CA GLU A 42 -8.400 -21.020 -14.291 1.00 50.43 C ATOM 660 C GLU A 42 -7.622 -22.288 -13.890 1.00 5.33 C ATOM 661 O GLU A 42 -8.218 -23.332 -13.620 1.00 22.13 O ATOM 662 CB GLU A 42 -8.572 -20.946 -15.819 1.00 15.40 C ATOM 663 CG GLU A 42 -7.268 -20.813 -16.602 1.00 51.41 C ATOM 664 CD GLU A 42 -7.492 -20.620 -18.098 1.00 5.31 C ATOM 665 OE1 GLU A 42 -7.735 -19.470 -18.529 1.00 24.02 O ATOM 666 OE2 GLU A 42 -7.433 -21.615 -18.848 1.00 11.21 O ATOM 0 H GLU A 42 -7.250 -19.265 -14.489 1.00 54.21 H new ATOM 0 HA GLU A 42 -9.388 -21.081 -13.835 1.00 50.43 H new ATOM 0 HB2 GLU A 42 -9.093 -21.842 -16.156 1.00 15.40 H new ATOM 0 HB3 GLU A 42 -9.212 -20.097 -16.058 1.00 15.40 H new ATOM 0 HG2 GLU A 42 -6.701 -19.968 -16.213 1.00 51.41 H new ATOM 0 HG3 GLU A 42 -6.662 -21.705 -16.442 1.00 51.41 H new ATOM 673 N THR A 43 -6.293 -22.192 -13.830 1.00 43.34 N ATOM 674 CA THR A 43 -5.459 -23.334 -13.424 1.00 4.24 C ATOM 675 C THR A 43 -5.508 -23.570 -11.901 1.00 53.11 C ATOM 676 O THR A 43 -5.580 -24.712 -11.445 1.00 33.52 O ATOM 677 CB THR A 43 -3.984 -23.163 -13.871 1.00 22.45 C ATOM 678 OG1 THR A 43 -3.916 -23.004 -15.296 1.00 42.14 O ATOM 679 CG2 THR A 43 -3.141 -24.369 -13.464 1.00 11.12 C ATOM 0 H THR A 43 -5.771 -21.345 -14.054 1.00 43.34 H new ATOM 0 HA THR A 43 -5.878 -24.205 -13.927 1.00 4.24 H new ATOM 0 HB THR A 43 -3.588 -22.275 -13.378 1.00 22.45 H new ATOM 0 HG1 THR A 43 -4.062 -22.063 -15.528 1.00 42.14 H new ATOM 0 HG21 THR A 43 -2.112 -24.220 -13.791 1.00 11.12 H new ATOM 0 HG22 THR A 43 -3.165 -24.481 -12.380 1.00 11.12 H new ATOM 0 HG23 THR A 43 -3.543 -25.268 -13.930 1.00 11.12 H new ATOM 687 N LEU A 44 -5.494 -22.488 -11.119 1.00 30.22 N ATOM 688 CA LEU A 44 -5.525 -22.583 -9.647 1.00 43.40 C ATOM 689 C LEU A 44 -6.700 -23.432 -9.134 1.00 21.22 C ATOM 690 O LEU A 44 -6.575 -24.131 -8.133 1.00 24.10 O ATOM 691 CB LEU A 44 -5.594 -21.182 -9.010 1.00 54.15 C ATOM 692 CG LEU A 44 -4.266 -20.407 -8.941 1.00 54.23 C ATOM 693 CD1 LEU A 44 -4.493 -18.992 -8.414 1.00 2.42 C ATOM 694 CD2 LEU A 44 -3.255 -21.146 -8.065 1.00 24.14 C ATOM 0 H LEU A 44 -5.461 -21.533 -11.475 1.00 30.22 H new ATOM 0 HA LEU A 44 -4.600 -23.078 -9.353 1.00 43.40 H new ATOM 0 HB2 LEU A 44 -6.312 -20.584 -9.571 1.00 54.15 H new ATOM 0 HB3 LEU A 44 -5.986 -21.283 -7.998 1.00 54.15 H new ATOM 0 HG LEU A 44 -3.861 -20.337 -9.951 1.00 54.23 H new ATOM 0 HD11 LEU A 44 -3.541 -18.462 -8.373 1.00 2.42 H new ATOM 0 HD12 LEU A 44 -5.176 -18.462 -9.078 1.00 2.42 H new ATOM 0 HD13 LEU A 44 -4.924 -19.041 -7.414 1.00 2.42 H new ATOM 0 HD21 LEU A 44 -2.323 -20.582 -8.029 1.00 24.14 H new ATOM 0 HD22 LEU A 44 -3.655 -21.250 -7.056 1.00 24.14 H new ATOM 0 HD23 LEU A 44 -3.065 -22.134 -8.484 1.00 24.14 H new ATOM 706 N ARG A 45 -7.843 -23.366 -9.810 1.00 45.43 N ATOM 707 CA ARG A 45 -9.031 -24.100 -9.360 1.00 3.24 C ATOM 708 C ARG A 45 -8.956 -25.595 -9.714 1.00 1.12 C ATOM 709 O ARG A 45 -9.285 -26.446 -8.886 1.00 54.31 O ATOM 710 CB ARG A 45 -10.308 -23.451 -9.920 1.00 33.42 C ATOM 711 CG ARG A 45 -10.358 -23.364 -11.439 1.00 40.02 C ATOM 712 CD ARG A 45 -11.507 -22.477 -11.912 1.00 1.52 C ATOM 713 NE ARG A 45 -11.314 -21.074 -11.525 1.00 3.25 N ATOM 714 CZ ARG A 45 -12.230 -20.330 -10.953 1.00 11.14 C ATOM 715 NH1 ARG A 45 -13.365 -20.840 -10.590 1.00 11.33 N ATOM 716 NH2 ARG A 45 -11.995 -19.076 -10.723 1.00 41.54 N ATOM 0 H ARG A 45 -7.976 -22.820 -10.661 1.00 45.43 H new ATOM 0 HA ARG A 45 -9.065 -24.040 -8.272 1.00 3.24 H new ATOM 0 HB2 ARG A 45 -11.171 -24.019 -9.573 1.00 33.42 H new ATOM 0 HB3 ARG A 45 -10.400 -22.446 -9.508 1.00 33.42 H new ATOM 0 HG2 ARG A 45 -9.414 -22.968 -11.813 1.00 40.02 H new ATOM 0 HG3 ARG A 45 -10.473 -24.364 -11.858 1.00 40.02 H new ATOM 0 HD2 ARG A 45 -11.595 -22.545 -12.996 1.00 1.52 H new ATOM 0 HD3 ARG A 45 -12.444 -22.843 -11.493 1.00 1.52 H new ATOM 0 HE ARG A 45 -10.406 -20.649 -11.714 1.00 3.25 H new ATOM 0 HH11 ARG A 45 -13.553 -21.830 -10.748 1.00 11.33 H new ATOM 0 HH12 ARG A 45 -14.070 -20.251 -10.146 1.00 11.33 H new ATOM 0 HH21 ARG A 45 -11.098 -18.668 -10.987 1.00 41.54 H new ATOM 0 HH22 ARG A 45 -12.707 -18.497 -10.278 1.00 41.54 H new ATOM 730 N ARG A 46 -8.492 -25.918 -10.926 1.00 3.51 N ATOM 731 CA ARG A 46 -8.402 -27.321 -11.359 1.00 52.14 C ATOM 732 C ARG A 46 -7.323 -28.099 -10.580 1.00 42.34 C ATOM 733 O ARG A 46 -7.466 -29.300 -10.347 1.00 70.22 O ATOM 734 CB ARG A 46 -8.144 -27.417 -12.874 1.00 45.43 C ATOM 735 CG ARG A 46 -6.852 -26.751 -13.339 1.00 3.34 C ATOM 736 CD ARG A 46 -6.632 -26.918 -14.841 1.00 22.32 C ATOM 737 NE ARG A 46 -6.424 -28.315 -15.221 1.00 50.14 N ATOM 738 CZ ARG A 46 -6.121 -28.709 -16.430 1.00 62.24 C ATOM 739 NH1 ARG A 46 -6.080 -27.867 -17.413 1.00 14.22 N ATOM 740 NH2 ARG A 46 -5.897 -29.958 -16.663 1.00 63.22 N ATOM 0 H ARG A 46 -8.176 -25.239 -11.618 1.00 3.51 H new ATOM 0 HA ARG A 46 -9.365 -27.783 -11.139 1.00 52.14 H new ATOM 0 HB2 ARG A 46 -8.119 -28.469 -13.160 1.00 45.43 H new ATOM 0 HB3 ARG A 46 -8.982 -26.963 -13.402 1.00 45.43 H new ATOM 0 HG2 ARG A 46 -6.882 -25.690 -13.093 1.00 3.34 H new ATOM 0 HG3 ARG A 46 -6.008 -27.180 -12.799 1.00 3.34 H new ATOM 0 HD2 ARG A 46 -7.494 -26.522 -15.378 1.00 22.32 H new ATOM 0 HD3 ARG A 46 -5.768 -26.328 -15.147 1.00 22.32 H new ATOM 0 HE ARG A 46 -6.522 -29.027 -14.497 1.00 50.14 H new ATOM 0 HH11 ARG A 46 -6.286 -26.881 -17.249 1.00 14.22 H new ATOM 0 HH12 ARG A 46 -5.842 -28.189 -18.351 1.00 14.22 H new ATOM 0 HH21 ARG A 46 -5.956 -30.637 -15.904 1.00 63.22 H new ATOM 0 HH22 ARG A 46 -5.661 -30.266 -17.606 1.00 63.22 H new ATOM 754 N VAL A 47 -6.239 -27.425 -10.183 1.00 53.52 N ATOM 755 CA VAL A 47 -5.193 -28.076 -9.374 1.00 74.41 C ATOM 756 C VAL A 47 -5.413 -27.850 -7.867 1.00 52.54 C ATOM 757 O VAL A 47 -5.151 -28.733 -7.051 1.00 64.32 O ATOM 758 CB VAL A 47 -3.771 -27.577 -9.747 1.00 22.43 C ATOM 759 CG1 VAL A 47 -3.477 -27.799 -11.229 1.00 32.42 C ATOM 760 CG2 VAL A 47 -3.580 -26.108 -9.369 1.00 43.13 C ATOM 0 H VAL A 47 -6.060 -26.445 -10.402 1.00 53.52 H new ATOM 0 HA VAL A 47 -5.267 -29.141 -9.596 1.00 74.41 H new ATOM 0 HB VAL A 47 -3.057 -28.166 -9.171 1.00 22.43 H new ATOM 0 HG11 VAL A 47 -2.474 -27.439 -11.459 1.00 32.42 H new ATOM 0 HG12 VAL A 47 -3.542 -28.863 -11.458 1.00 32.42 H new ATOM 0 HG13 VAL A 47 -4.205 -27.254 -11.830 1.00 32.42 H new ATOM 0 HG21 VAL A 47 -2.574 -25.790 -9.643 1.00 43.13 H new ATOM 0 HG22 VAL A 47 -4.311 -25.498 -9.899 1.00 43.13 H new ATOM 0 HG23 VAL A 47 -3.718 -25.988 -8.294 1.00 43.13 H new ATOM 770 N GLY A 48 -5.927 -26.672 -7.515 1.00 31.42 N ATOM 771 CA GLY A 48 -6.078 -26.296 -6.114 1.00 60.54 C ATOM 772 C GLY A 48 -7.127 -27.112 -5.374 1.00 72.42 C ATOM 773 O GLY A 48 -6.871 -27.613 -4.280 1.00 3.23 O ATOM 0 H GLY A 48 -6.244 -25.966 -8.179 1.00 31.42 H new ATOM 0 HA2 GLY A 48 -5.118 -26.411 -5.610 1.00 60.54 H new ATOM 0 HA3 GLY A 48 -6.344 -25.240 -6.056 1.00 60.54 H new ATOM 777 N ASP A 49 -8.317 -27.244 -5.960 1.00 14.34 N ATOM 778 CA ASP A 49 -9.392 -28.009 -5.328 1.00 70.03 C ATOM 779 C ASP A 49 -8.996 -29.491 -5.183 1.00 33.12 C ATOM 780 O ASP A 49 -9.324 -30.139 -4.188 1.00 1.23 O ATOM 781 CB ASP A 49 -10.688 -27.853 -6.129 1.00 45.41 C ATOM 782 CG ASP A 49 -11.877 -28.503 -5.443 1.00 41.54 C ATOM 783 OD1 ASP A 49 -12.307 -28.001 -4.378 1.00 25.02 O ATOM 784 OD2 ASP A 49 -12.390 -29.516 -5.969 1.00 5.13 O ATOM 0 H ASP A 49 -8.560 -26.836 -6.863 1.00 14.34 H new ATOM 0 HA ASP A 49 -9.562 -27.616 -4.325 1.00 70.03 H new ATOM 0 HB2 ASP A 49 -10.894 -26.793 -6.279 1.00 45.41 H new ATOM 0 HB3 ASP A 49 -10.556 -28.295 -7.117 1.00 45.41 H new ATOM 789 N GLY A 50 -8.266 -30.010 -6.173 1.00 54.15 N ATOM 790 CA GLY A 50 -7.740 -31.371 -6.091 1.00 64.44 C ATOM 791 C GLY A 50 -6.775 -31.555 -4.921 1.00 14.40 C ATOM 792 O GLY A 50 -6.915 -32.492 -4.125 1.00 24.24 O ATOM 0 H GLY A 50 -8.028 -29.513 -7.032 1.00 54.15 H new ATOM 0 HA2 GLY A 50 -8.568 -32.072 -5.988 1.00 64.44 H new ATOM 0 HA3 GLY A 50 -7.229 -31.616 -7.022 1.00 64.44 H new ATOM 796 N VAL A 51 -5.797 -30.651 -4.808 1.00 53.30 N ATOM 797 CA VAL A 51 -4.863 -30.654 -3.675 1.00 14.01 C ATOM 798 C VAL A 51 -5.612 -30.532 -2.338 1.00 41.10 C ATOM 799 O VAL A 51 -5.308 -31.239 -1.373 1.00 45.42 O ATOM 800 CB VAL A 51 -3.822 -29.508 -3.795 1.00 60.21 C ATOM 801 CG1 VAL A 51 -2.933 -29.429 -2.552 1.00 61.44 C ATOM 802 CG2 VAL A 51 -2.971 -29.685 -5.052 1.00 34.33 C ATOM 0 H VAL A 51 -5.631 -29.908 -5.486 1.00 53.30 H new ATOM 0 HA VAL A 51 -4.336 -31.608 -3.699 1.00 14.01 H new ATOM 0 HB VAL A 51 -4.369 -28.569 -3.874 1.00 60.21 H new ATOM 0 HG11 VAL A 51 -2.216 -28.617 -2.669 1.00 61.44 H new ATOM 0 HG12 VAL A 51 -3.551 -29.244 -1.674 1.00 61.44 H new ATOM 0 HG13 VAL A 51 -2.398 -30.370 -2.427 1.00 61.44 H new ATOM 0 HG21 VAL A 51 -2.247 -28.873 -5.119 1.00 34.33 H new ATOM 0 HG22 VAL A 51 -2.444 -30.638 -5.003 1.00 34.33 H new ATOM 0 HG23 VAL A 51 -3.614 -29.671 -5.932 1.00 34.33 H new ATOM 812 N GLN A 52 -6.601 -29.640 -2.299 1.00 64.55 N ATOM 813 CA GLN A 52 -7.445 -29.459 -1.114 1.00 63.32 C ATOM 814 C GLN A 52 -8.089 -30.777 -0.657 1.00 31.33 C ATOM 815 O GLN A 52 -8.071 -31.096 0.522 1.00 33.25 O ATOM 816 CB GLN A 52 -8.544 -28.420 -1.393 1.00 14.32 C ATOM 817 CG GLN A 52 -8.067 -26.971 -1.343 1.00 1.01 C ATOM 818 CD GLN A 52 -9.136 -25.989 -1.795 1.00 43.44 C ATOM 819 OE1 GLN A 52 -9.974 -25.553 -1.013 1.00 74.32 O ATOM 820 NE2 GLN A 52 -9.113 -25.630 -3.061 1.00 42.54 N ATOM 0 H GLN A 52 -6.840 -29.027 -3.078 1.00 64.55 H new ATOM 0 HA GLN A 52 -6.798 -29.105 -0.311 1.00 63.32 H new ATOM 0 HB2 GLN A 52 -8.971 -28.616 -2.377 1.00 14.32 H new ATOM 0 HB3 GLN A 52 -9.345 -28.552 -0.666 1.00 14.32 H new ATOM 0 HG2 GLN A 52 -7.762 -26.728 -0.325 1.00 1.01 H new ATOM 0 HG3 GLN A 52 -7.186 -26.860 -1.975 1.00 1.01 H new ATOM 0 HE21 GLN A 52 -8.403 -26.011 -3.686 1.00 42.54 H new ATOM 0 HE22 GLN A 52 -9.805 -24.971 -3.417 1.00 42.54 H new ATOM 829 N ARG A 53 -8.641 -31.544 -1.596 1.00 61.45 N ATOM 830 CA ARG A 53 -9.391 -32.764 -1.254 1.00 22.22 C ATOM 831 C ARG A 53 -8.512 -33.853 -0.615 1.00 22.12 C ATOM 832 O ARG A 53 -8.858 -34.390 0.438 1.00 32.24 O ATOM 833 CB ARG A 53 -10.107 -33.316 -2.492 1.00 33.25 C ATOM 834 CG ARG A 53 -11.126 -32.344 -3.073 1.00 54.04 C ATOM 835 CD ARG A 53 -12.249 -32.027 -2.087 1.00 3.13 C ATOM 836 NE ARG A 53 -13.264 -33.078 -2.046 1.00 23.31 N ATOM 837 CZ ARG A 53 -14.273 -33.095 -1.216 1.00 34.12 C ATOM 838 NH1 ARG A 53 -14.343 -32.256 -0.228 1.00 53.21 N ATOM 839 NH2 ARG A 53 -15.190 -33.994 -1.350 1.00 13.14 N ATOM 0 H ARG A 53 -8.587 -31.349 -2.596 1.00 61.45 H new ATOM 0 HA ARG A 53 -10.128 -32.477 -0.504 1.00 22.22 H new ATOM 0 HB2 ARG A 53 -9.367 -33.558 -3.255 1.00 33.25 H new ATOM 0 HB3 ARG A 53 -10.610 -34.247 -2.229 1.00 33.25 H new ATOM 0 HG2 ARG A 53 -10.623 -31.420 -3.357 1.00 54.04 H new ATOM 0 HG3 ARG A 53 -11.552 -32.768 -3.982 1.00 54.04 H new ATOM 0 HD2 ARG A 53 -11.828 -31.893 -1.091 1.00 3.13 H new ATOM 0 HD3 ARG A 53 -12.718 -31.083 -2.365 1.00 3.13 H new ATOM 0 HE ARG A 53 -13.179 -33.849 -2.709 1.00 23.31 H new ATOM 0 HH11 ARG A 53 -13.603 -31.568 -0.089 1.00 53.21 H new ATOM 0 HH12 ARG A 53 -15.139 -32.284 0.410 1.00 53.21 H new ATOM 0 HH21 ARG A 53 -15.123 -34.683 -2.099 1.00 13.14 H new ATOM 0 HH22 ARG A 53 -15.981 -34.015 -0.707 1.00 13.14 H new ATOM 853 N ASN A 54 -7.375 -34.181 -1.229 1.00 61.35 N ATOM 854 CA ASN A 54 -6.503 -35.225 -0.668 1.00 61.41 C ATOM 855 C ASN A 54 -5.840 -34.745 0.636 1.00 54.01 C ATOM 856 O ASN A 54 -5.569 -35.536 1.538 1.00 34.32 O ATOM 857 CB ASN A 54 -5.449 -35.696 -1.687 1.00 4.15 C ATOM 858 CG ASN A 54 -4.401 -34.651 -2.018 1.00 23.23 C ATOM 859 OD1 ASN A 54 -4.630 -33.886 -3.060 1.00 20.51 O flip ATOM 860 ND2 ASN A 54 -3.380 -34.546 -1.349 1.00 55.21 N flip ATOM 0 H ASN A 54 -7.038 -33.755 -2.092 1.00 61.35 H new ATOM 0 HA ASN A 54 -7.131 -36.084 -0.432 1.00 61.41 H new ATOM 0 HB2 ASN A 54 -4.952 -36.583 -1.296 1.00 4.15 H new ATOM 0 HB3 ASN A 54 -5.954 -35.993 -2.606 1.00 4.15 H new ATOM 0 HD21 ASN A 54 -3.232 -35.156 -0.545 1.00 55.21 H new ATOM 0 HD22 ASN A 54 -2.678 -33.849 -1.596 1.00 55.21 H new ATOM 867 N HIS A 55 -5.601 -33.437 0.730 1.00 72.53 N ATOM 868 CA HIS A 55 -5.080 -32.815 1.957 1.00 51.11 C ATOM 869 C HIS A 55 -6.195 -32.537 2.981 1.00 13.30 C ATOM 870 O HIS A 55 -5.915 -32.324 4.156 1.00 35.40 O ATOM 871 CB HIS A 55 -4.334 -31.509 1.643 1.00 22.33 C ATOM 872 CG HIS A 55 -2.938 -31.709 1.132 1.00 44.41 C ATOM 873 ND1 HIS A 55 -2.483 -32.090 -0.082 1.00 53.42 N flip ATOM 874 CD2 HIS A 55 -1.815 -31.497 1.905 1.00 14.33 C flip ATOM 875 CE1 HIS A 55 -1.112 -32.099 -0.016 1.00 41.53 C flip ATOM 876 NE2 HIS A 55 -0.735 -31.738 1.190 1.00 11.03 N flip ATOM 0 H HIS A 55 -5.760 -32.779 -0.033 1.00 72.53 H new ATOM 0 HA HIS A 55 -4.383 -33.529 2.396 1.00 51.11 H new ATOM 0 HB2 HIS A 55 -4.903 -30.947 0.903 1.00 22.33 H new ATOM 0 HB3 HIS A 55 -4.295 -30.899 2.546 1.00 22.33 H new ATOM 0 HD2 HIS A 55 -1.820 -31.182 2.938 1.00 14.33 H new ATOM 0 HE1 HIS A 55 -0.448 -32.361 -0.827 1.00 41.53 H new ATOM 0 HE2 HIS A 55 0.228 -31.658 1.516 1.00 11.03 H new ATOM 885 N GLU A 56 -7.448 -32.517 2.525 1.00 2.23 N ATOM 886 CA GLU A 56 -8.595 -32.119 3.363 1.00 74.05 C ATOM 887 C GLU A 56 -8.613 -32.851 4.713 1.00 1.43 C ATOM 888 O GLU A 56 -8.761 -32.220 5.760 1.00 72.20 O ATOM 889 CB GLU A 56 -9.908 -32.377 2.605 1.00 72.42 C ATOM 890 CG GLU A 56 -11.161 -31.911 3.338 1.00 3.43 C ATOM 891 CD GLU A 56 -12.420 -32.069 2.498 1.00 22.12 C ATOM 892 OE1 GLU A 56 -12.740 -31.148 1.714 1.00 0.01 O ATOM 893 OE2 GLU A 56 -13.095 -33.114 2.622 1.00 71.31 O ATOM 0 H GLU A 56 -7.702 -32.773 1.571 1.00 2.23 H new ATOM 0 HA GLU A 56 -8.493 -31.055 3.575 1.00 74.05 H new ATOM 0 HB2 GLU A 56 -9.860 -31.876 1.638 1.00 72.42 H new ATOM 0 HB3 GLU A 56 -9.994 -33.445 2.406 1.00 72.42 H new ATOM 0 HG2 GLU A 56 -11.270 -32.480 4.261 1.00 3.43 H new ATOM 0 HG3 GLU A 56 -11.045 -30.864 3.620 1.00 3.43 H new ATOM 900 N THR A 57 -8.444 -34.173 4.691 1.00 32.12 N ATOM 901 CA THR A 57 -8.359 -34.959 5.935 1.00 63.24 C ATOM 902 C THR A 57 -7.300 -34.390 6.898 1.00 3.42 C ATOM 903 O THR A 57 -7.464 -34.435 8.119 1.00 40.32 O ATOM 904 CB THR A 57 -8.034 -36.447 5.654 1.00 63.23 C ATOM 905 OG1 THR A 57 -7.938 -37.174 6.891 1.00 32.22 O ATOM 906 CG2 THR A 57 -6.734 -36.597 4.868 1.00 14.23 C ATOM 0 H THR A 57 -8.363 -34.724 3.836 1.00 32.12 H new ATOM 0 HA THR A 57 -9.341 -34.891 6.403 1.00 63.24 H new ATOM 0 HB THR A 57 -8.845 -36.856 5.051 1.00 63.23 H new ATOM 0 HG1 THR A 57 -7.734 -38.114 6.703 1.00 32.22 H new ATOM 0 HG21 THR A 57 -6.537 -37.654 4.689 1.00 14.23 H new ATOM 0 HG22 THR A 57 -6.824 -36.078 3.914 1.00 14.23 H new ATOM 0 HG23 THR A 57 -5.912 -36.167 5.439 1.00 14.23 H new ATOM 914 N ALA A 58 -6.221 -33.843 6.334 1.00 43.20 N ATOM 915 CA ALA A 58 -5.144 -33.233 7.122 1.00 44.44 C ATOM 916 C ALA A 58 -5.506 -31.804 7.565 1.00 62.14 C ATOM 917 O ALA A 58 -5.473 -31.488 8.758 1.00 22.02 O ATOM 918 CB ALA A 58 -3.844 -33.230 6.317 1.00 20.33 C ATOM 0 H ALA A 58 -6.068 -33.809 5.326 1.00 43.20 H new ATOM 0 HA ALA A 58 -5.006 -33.831 8.023 1.00 44.44 H new ATOM 0 HB1 ALA A 58 -3.050 -32.775 6.910 1.00 20.33 H new ATOM 0 HB2 ALA A 58 -3.569 -34.255 6.067 1.00 20.33 H new ATOM 0 HB3 ALA A 58 -3.985 -32.658 5.400 1.00 20.33 H new ATOM 924 N PHE A 59 -5.867 -30.951 6.601 1.00 32.11 N ATOM 925 CA PHE A 59 -6.226 -29.555 6.889 1.00 22.14 C ATOM 926 C PHE A 59 -7.376 -29.444 7.909 1.00 44.34 C ATOM 927 O PHE A 59 -7.389 -28.529 8.732 1.00 3.32 O ATOM 928 CB PHE A 59 -6.599 -28.809 5.598 1.00 34.31 C ATOM 929 CG PHE A 59 -5.423 -28.409 4.732 1.00 75.44 C ATOM 930 CD1 PHE A 59 -4.268 -27.878 5.296 1.00 13.20 C ATOM 931 CD2 PHE A 59 -5.483 -28.542 3.351 1.00 34.44 C ATOM 932 CE1 PHE A 59 -3.202 -27.489 4.501 1.00 13.32 C ATOM 933 CE2 PHE A 59 -4.422 -28.150 2.553 1.00 64.15 C ATOM 934 CZ PHE A 59 -3.281 -27.626 3.128 1.00 72.12 C ATOM 0 H PHE A 59 -5.919 -31.201 5.614 1.00 32.11 H new ATOM 0 HA PHE A 59 -5.345 -29.091 7.332 1.00 22.14 H new ATOM 0 HB2 PHE A 59 -7.266 -29.440 5.011 1.00 34.31 H new ATOM 0 HB3 PHE A 59 -7.159 -27.912 5.862 1.00 34.31 H new ATOM 0 HD1 PHE A 59 -4.201 -27.767 6.368 1.00 13.20 H new ATOM 0 HD2 PHE A 59 -6.369 -28.957 2.894 1.00 34.44 H new ATOM 0 HE1 PHE A 59 -2.311 -27.079 4.953 1.00 13.32 H new ATOM 0 HE2 PHE A 59 -4.487 -28.254 1.480 1.00 64.15 H new ATOM 0 HZ PHE A 59 -2.452 -27.324 2.506 1.00 72.12 H new ATOM 944 N GLN A 60 -8.341 -30.368 7.858 1.00 41.43 N ATOM 945 CA GLN A 60 -9.427 -30.394 8.853 1.00 14.53 C ATOM 946 C GLN A 60 -8.863 -30.492 10.277 1.00 13.14 C ATOM 947 O GLN A 60 -9.356 -29.840 11.201 1.00 35.22 O ATOM 948 CB GLN A 60 -10.392 -31.564 8.597 1.00 14.10 C ATOM 949 CG GLN A 60 -11.276 -31.394 7.365 1.00 2.03 C ATOM 950 CD GLN A 60 -12.148 -30.146 7.419 1.00 44.11 C ATOM 951 OE1 GLN A 60 -12.512 -29.663 8.488 1.00 2.10 O ATOM 952 NE2 GLN A 60 -12.508 -29.627 6.264 1.00 42.15 N ATOM 0 H GLN A 60 -8.396 -31.100 7.150 1.00 41.43 H new ATOM 0 HA GLN A 60 -9.980 -29.460 8.753 1.00 14.53 H new ATOM 0 HB2 GLN A 60 -9.812 -32.481 8.489 1.00 14.10 H new ATOM 0 HB3 GLN A 60 -11.030 -31.691 9.472 1.00 14.10 H new ATOM 0 HG2 GLN A 60 -10.646 -31.351 6.477 1.00 2.03 H new ATOM 0 HG3 GLN A 60 -11.915 -32.271 7.260 1.00 2.03 H new ATOM 0 HE21 GLN A 60 -12.189 -30.051 5.393 1.00 42.15 H new ATOM 0 HE22 GLN A 60 -13.106 -28.801 6.240 1.00 42.15 H new ATOM 961 N GLY A 61 -7.812 -31.298 10.439 1.00 0.32 N ATOM 962 CA GLY A 61 -7.139 -31.413 11.727 1.00 43.12 C ATOM 963 C GLY A 61 -6.541 -30.088 12.193 1.00 1.41 C ATOM 964 O GLY A 61 -6.321 -29.875 13.385 1.00 73.23 O ATOM 0 H GLY A 61 -7.413 -31.875 9.699 1.00 0.32 H new ATOM 0 HA2 GLY A 61 -7.848 -31.771 12.473 1.00 43.12 H new ATOM 0 HA3 GLY A 61 -6.348 -32.160 11.655 1.00 43.12 H new ATOM 968 N MET A 62 -6.278 -29.195 11.240 1.00 10.11 N ATOM 969 CA MET A 62 -5.765 -27.856 11.539 1.00 62.53 C ATOM 970 C MET A 62 -6.914 -26.871 11.825 1.00 11.15 C ATOM 971 O MET A 62 -6.953 -26.240 12.882 1.00 0.43 O ATOM 972 CB MET A 62 -4.918 -27.341 10.366 1.00 2.20 C ATOM 973 CG MET A 62 -3.752 -28.252 10.005 1.00 61.32 C ATOM 974 SD MET A 62 -2.821 -27.666 8.575 1.00 72.01 S ATOM 975 CE MET A 62 -2.238 -26.076 9.161 1.00 0.04 C ATOM 0 H MET A 62 -6.413 -29.376 10.245 1.00 10.11 H new ATOM 0 HA MET A 62 -5.143 -27.925 12.432 1.00 62.53 H new ATOM 0 HB2 MET A 62 -5.558 -27.222 9.492 1.00 2.20 H new ATOM 0 HB3 MET A 62 -4.532 -26.353 10.615 1.00 2.20 H new ATOM 0 HG2 MET A 62 -3.082 -28.332 10.861 1.00 61.32 H new ATOM 0 HG3 MET A 62 -4.130 -29.254 9.801 1.00 61.32 H new ATOM 0 HE1 MET A 62 -1.407 -25.742 8.540 1.00 0.04 H new ATOM 0 HE2 MET A 62 -3.048 -25.349 9.106 1.00 0.04 H new ATOM 0 HE3 MET A 62 -1.904 -26.169 10.194 1.00 0.04 H new ATOM 985 N LEU A 63 -7.852 -26.756 10.882 1.00 1.24 N ATOM 986 CA LEU A 63 -8.973 -25.812 11.002 1.00 52.53 C ATOM 987 C LEU A 63 -9.802 -26.032 12.276 1.00 15.40 C ATOM 988 O LEU A 63 -10.319 -25.072 12.846 1.00 23.21 O ATOM 989 CB LEU A 63 -9.882 -25.879 9.761 1.00 5.13 C ATOM 990 CG LEU A 63 -9.445 -25.003 8.573 1.00 41.14 C ATOM 991 CD1 LEU A 63 -8.059 -25.396 8.072 1.00 21.43 C ATOM 992 CD2 LEU A 63 -10.467 -25.083 7.444 1.00 51.20 C ATOM 0 H LEU A 63 -7.860 -27.306 10.023 1.00 1.24 H new ATOM 0 HA LEU A 63 -8.532 -24.818 11.072 1.00 52.53 H new ATOM 0 HB2 LEU A 63 -9.935 -26.915 9.426 1.00 5.13 H new ATOM 0 HB3 LEU A 63 -10.890 -25.587 10.054 1.00 5.13 H new ATOM 0 HG LEU A 63 -9.392 -23.972 8.922 1.00 41.14 H new ATOM 0 HD11 LEU A 63 -7.781 -24.758 7.233 1.00 21.43 H new ATOM 0 HD12 LEU A 63 -7.333 -25.275 8.876 1.00 21.43 H new ATOM 0 HD13 LEU A 63 -8.071 -26.437 7.748 1.00 21.43 H new ATOM 0 HD21 LEU A 63 -10.141 -24.457 6.613 1.00 51.20 H new ATOM 0 HD22 LEU A 63 -10.557 -26.116 7.107 1.00 51.20 H new ATOM 0 HD23 LEU A 63 -11.435 -24.733 7.804 1.00 51.20 H new ATOM 1004 N ARG A 64 -9.924 -27.283 12.728 1.00 21.20 N ATOM 1005 CA ARG A 64 -10.673 -27.572 13.959 1.00 73.15 C ATOM 1006 C ARG A 64 -10.007 -26.930 15.190 1.00 53.50 C ATOM 1007 O ARG A 64 -10.686 -26.558 16.147 1.00 3.54 O ATOM 1008 CB ARG A 64 -10.838 -29.086 14.174 1.00 33.34 C ATOM 1009 CG ARG A 64 -9.527 -29.845 14.359 1.00 10.03 C ATOM 1010 CD ARG A 64 -9.768 -31.308 14.721 1.00 3.30 C ATOM 1011 NE ARG A 64 -8.521 -32.063 14.832 1.00 34.14 N ATOM 1012 CZ ARG A 64 -7.828 -32.194 15.933 1.00 2.40 C ATOM 1013 NH1 ARG A 64 -8.225 -31.646 17.037 1.00 74.32 N ATOM 1014 NH2 ARG A 64 -6.734 -32.879 15.928 1.00 24.34 N ATOM 0 H ARG A 64 -9.522 -28.101 12.271 1.00 21.20 H new ATOM 0 HA ARG A 64 -11.663 -27.132 13.838 1.00 73.15 H new ATOM 0 HB2 ARG A 64 -11.465 -29.250 15.051 1.00 33.34 H new ATOM 0 HB3 ARG A 64 -11.369 -29.506 13.320 1.00 33.34 H new ATOM 0 HG2 ARG A 64 -8.941 -29.789 13.441 1.00 10.03 H new ATOM 0 HG3 ARG A 64 -8.938 -29.368 15.143 1.00 10.03 H new ATOM 0 HD2 ARG A 64 -10.309 -31.362 15.666 1.00 3.30 H new ATOM 0 HD3 ARG A 64 -10.403 -31.768 13.964 1.00 3.30 H new ATOM 0 HE ARG A 64 -8.167 -32.520 13.992 1.00 34.14 H new ATOM 0 HH11 ARG A 64 -9.089 -31.104 17.055 1.00 74.32 H new ATOM 0 HH12 ARG A 64 -7.674 -31.757 17.888 1.00 74.32 H new ATOM 0 HH21 ARG A 64 -6.411 -33.318 15.066 1.00 24.34 H new ATOM 0 HH22 ARG A 64 -6.193 -32.982 16.786 1.00 24.34 H new ATOM 1028 N LYS A 65 -8.675 -26.795 15.166 1.00 0.34 N ATOM 1029 CA LYS A 65 -7.953 -26.141 16.267 1.00 61.35 C ATOM 1030 C LYS A 65 -7.572 -24.687 15.917 1.00 22.22 C ATOM 1031 O LYS A 65 -7.031 -23.959 16.751 1.00 60.54 O ATOM 1032 CB LYS A 65 -6.723 -26.976 16.692 1.00 11.43 C ATOM 1033 CG LYS A 65 -5.685 -27.247 15.598 1.00 3.02 C ATOM 1034 CD LYS A 65 -4.708 -26.086 15.411 1.00 72.03 C ATOM 1035 CE LYS A 65 -3.575 -26.446 14.453 1.00 55.00 C ATOM 1036 NZ LYS A 65 -2.762 -27.594 14.946 1.00 44.15 N ATOM 0 H LYS A 65 -8.080 -27.125 14.406 1.00 0.34 H new ATOM 0 HA LYS A 65 -8.626 -26.089 17.123 1.00 61.35 H new ATOM 0 HB2 LYS A 65 -6.228 -26.463 17.516 1.00 11.43 H new ATOM 0 HB3 LYS A 65 -7.074 -27.933 17.077 1.00 11.43 H new ATOM 0 HG2 LYS A 65 -5.127 -28.149 15.848 1.00 3.02 H new ATOM 0 HG3 LYS A 65 -6.198 -27.440 14.656 1.00 3.02 H new ATOM 0 HD2 LYS A 65 -5.245 -25.218 15.029 1.00 72.03 H new ATOM 0 HD3 LYS A 65 -4.291 -25.803 16.377 1.00 72.03 H new ATOM 0 HE2 LYS A 65 -3.992 -26.692 13.476 1.00 55.00 H new ATOM 0 HE3 LYS A 65 -2.929 -25.579 14.315 1.00 55.00 H new ATOM 0 HZ1 LYS A 65 -1.849 -27.613 14.448 1.00 44.15 H new ATOM 0 HZ2 LYS A 65 -2.597 -27.489 15.967 1.00 44.15 H new ATOM 0 HZ3 LYS A 65 -3.272 -28.483 14.768 1.00 44.15 H new ATOM 1050 N LEU A 66 -7.863 -24.274 14.684 1.00 32.20 N ATOM 1051 CA LEU A 66 -7.706 -22.871 14.265 1.00 70.13 C ATOM 1052 C LEU A 66 -9.044 -22.119 14.384 1.00 4.03 C ATOM 1053 O LEU A 66 -9.230 -21.289 15.276 1.00 71.31 O ATOM 1054 CB LEU A 66 -7.215 -22.787 12.806 1.00 44.51 C ATOM 1055 CG LEU A 66 -5.796 -23.312 12.535 1.00 63.23 C ATOM 1056 CD1 LEU A 66 -5.494 -23.280 11.036 1.00 23.04 C ATOM 1057 CD2 LEU A 66 -4.762 -22.497 13.311 1.00 71.43 C ATOM 0 H LEU A 66 -8.211 -24.891 13.950 1.00 32.20 H new ATOM 0 HA LEU A 66 -6.968 -22.411 14.922 1.00 70.13 H new ATOM 0 HB2 LEU A 66 -7.911 -23.343 12.178 1.00 44.51 H new ATOM 0 HB3 LEU A 66 -7.261 -21.745 12.489 1.00 44.51 H new ATOM 0 HG LEU A 66 -5.739 -24.346 12.877 1.00 63.23 H new ATOM 0 HD11 LEU A 66 -4.486 -23.655 10.860 1.00 23.04 H new ATOM 0 HD12 LEU A 66 -6.212 -23.907 10.507 1.00 23.04 H new ATOM 0 HD13 LEU A 66 -5.569 -22.256 10.671 1.00 23.04 H new ATOM 0 HD21 LEU A 66 -3.764 -22.885 13.105 1.00 71.43 H new ATOM 0 HD22 LEU A 66 -4.816 -21.453 13.003 1.00 71.43 H new ATOM 0 HD23 LEU A 66 -4.967 -22.571 14.379 1.00 71.43 H new ATOM 1069 N ASP A 67 -9.964 -22.450 13.472 1.00 62.15 N ATOM 1070 CA ASP A 67 -11.291 -21.824 13.375 1.00 64.25 C ATOM 1071 C ASP A 67 -11.231 -20.284 13.511 1.00 54.44 C ATOM 1072 O ASP A 67 -11.367 -19.730 14.603 1.00 12.34 O ATOM 1073 CB ASP A 67 -12.255 -22.436 14.406 1.00 72.13 C ATOM 1074 CG ASP A 67 -13.664 -22.583 13.853 1.00 24.12 C ATOM 1075 OD1 ASP A 67 -14.176 -21.619 13.250 1.00 54.24 O ATOM 1076 OD2 ASP A 67 -14.260 -23.673 13.989 1.00 44.05 O ATOM 0 H ASP A 67 -9.807 -23.172 12.768 1.00 62.15 H new ATOM 0 HA ASP A 67 -11.673 -22.032 12.375 1.00 64.25 H new ATOM 0 HB2 ASP A 67 -11.883 -23.413 14.714 1.00 72.13 H new ATOM 0 HB3 ASP A 67 -12.279 -21.808 15.297 1.00 72.13 H new ATOM 1081 N ILE A 68 -11.028 -19.609 12.383 1.00 20.30 N ATOM 1082 CA ILE A 68 -10.868 -18.149 12.355 1.00 52.22 C ATOM 1083 C ILE A 68 -12.190 -17.425 12.672 1.00 63.21 C ATOM 1084 O ILE A 68 -13.158 -17.516 11.915 1.00 74.35 O ATOM 1085 CB ILE A 68 -10.324 -17.676 10.973 1.00 44.13 C ATOM 1086 CG1 ILE A 68 -8.845 -18.081 10.790 1.00 34.31 C ATOM 1087 CG2 ILE A 68 -10.491 -16.163 10.795 1.00 62.00 C ATOM 1088 CD1 ILE A 68 -8.598 -19.578 10.747 1.00 12.53 C ATOM 0 H ILE A 68 -10.969 -20.051 11.465 1.00 20.30 H new ATOM 0 HA ILE A 68 -10.145 -17.891 13.129 1.00 52.22 H new ATOM 0 HB ILE A 68 -10.914 -18.174 10.203 1.00 44.13 H new ATOM 0 HG12 ILE A 68 -8.473 -17.638 9.866 1.00 34.31 H new ATOM 0 HG13 ILE A 68 -8.262 -17.654 11.606 1.00 34.31 H new ATOM 0 HG21 ILE A 68 -10.102 -15.866 9.821 1.00 62.00 H new ATOM 0 HG22 ILE A 68 -11.548 -15.904 10.858 1.00 62.00 H new ATOM 0 HG23 ILE A 68 -9.942 -15.642 11.579 1.00 62.00 H new ATOM 0 HD11 ILE A 68 -7.533 -19.767 10.616 1.00 12.53 H new ATOM 0 HD12 ILE A 68 -8.935 -20.029 11.680 1.00 12.53 H new ATOM 0 HD13 ILE A 68 -9.149 -20.014 9.914 1.00 12.53 H new ATOM 1100 N LYS A 69 -12.220 -16.699 13.792 1.00 75.41 N ATOM 1101 CA LYS A 69 -13.429 -15.976 14.216 1.00 12.12 C ATOM 1102 C LYS A 69 -13.251 -14.445 14.152 1.00 4.01 C ATOM 1103 O LYS A 69 -14.231 -13.700 14.194 1.00 22.45 O ATOM 1104 CB LYS A 69 -13.860 -16.436 15.626 1.00 64.40 C ATOM 1105 CG LYS A 69 -12.741 -16.467 16.675 1.00 24.34 C ATOM 1106 CD LYS A 69 -12.435 -15.091 17.265 1.00 64.54 C ATOM 1107 CE LYS A 69 -13.621 -14.516 18.035 1.00 4.43 C ATOM 1108 NZ LYS A 69 -14.022 -15.378 19.180 1.00 13.43 N ATOM 0 H LYS A 69 -11.425 -16.594 14.422 1.00 75.41 H new ATOM 0 HA LYS A 69 -14.224 -16.221 13.512 1.00 12.12 H new ATOM 0 HB2 LYS A 69 -14.650 -15.774 15.981 1.00 64.40 H new ATOM 0 HB3 LYS A 69 -14.291 -17.434 15.549 1.00 64.40 H new ATOM 0 HG2 LYS A 69 -13.024 -17.146 17.479 1.00 24.34 H new ATOM 0 HG3 LYS A 69 -11.836 -16.870 16.221 1.00 24.34 H new ATOM 0 HD2 LYS A 69 -11.575 -15.166 17.930 1.00 64.54 H new ATOM 0 HD3 LYS A 69 -12.159 -14.407 16.463 1.00 64.54 H new ATOM 0 HE2 LYS A 69 -13.365 -13.522 18.403 1.00 4.43 H new ATOM 0 HE3 LYS A 69 -14.467 -14.397 17.359 1.00 4.43 H new ATOM 0 HZ1 LYS A 69 -14.700 -14.865 19.780 1.00 13.43 H new ATOM 0 HZ2 LYS A 69 -14.466 -16.247 18.821 1.00 13.43 H new ATOM 0 HZ3 LYS A 69 -13.181 -15.624 19.740 1.00 13.43 H new ATOM 1122 N ASN A 70 -12.007 -13.978 14.039 1.00 0.42 N ATOM 1123 CA ASN A 70 -11.736 -12.540 13.899 1.00 70.12 C ATOM 1124 C ASN A 70 -10.474 -12.294 13.049 1.00 34.22 C ATOM 1125 O ASN A 70 -9.753 -13.234 12.705 1.00 62.12 O ATOM 1126 CB ASN A 70 -11.613 -11.882 15.286 1.00 53.42 C ATOM 1127 CG ASN A 70 -10.207 -11.919 15.860 1.00 21.22 C ATOM 1128 OD1 ASN A 70 -9.474 -10.944 15.777 1.00 31.21 O ATOM 1129 ND2 ASN A 70 -9.802 -13.048 16.402 1.00 32.13 N ATOM 0 H ASN A 70 -11.174 -14.567 14.041 1.00 0.42 H new ATOM 0 HA ASN A 70 -12.575 -12.080 13.377 1.00 70.12 H new ATOM 0 HB2 ASN A 70 -11.939 -10.844 15.216 1.00 53.42 H new ATOM 0 HB3 ASN A 70 -12.291 -12.383 15.977 1.00 53.42 H new ATOM 0 HD21 ASN A 70 -8.853 -13.127 16.767 1.00 32.13 H new ATOM 0 HD22 ASN A 70 -10.437 -13.844 16.457 1.00 32.13 H new ATOM 1136 N GLU A 71 -10.207 -11.030 12.721 1.00 0.22 N ATOM 1137 CA GLU A 71 -9.092 -10.674 11.828 1.00 64.11 C ATOM 1138 C GLU A 71 -7.722 -11.070 12.414 1.00 4.25 C ATOM 1139 O GLU A 71 -6.781 -11.361 11.673 1.00 11.21 O ATOM 1140 CB GLU A 71 -9.115 -9.171 11.530 1.00 52.32 C ATOM 1141 CG GLU A 71 -8.042 -8.724 10.541 1.00 61.11 C ATOM 1142 CD GLU A 71 -8.048 -7.222 10.307 1.00 55.11 C ATOM 1143 OE1 GLU A 71 -7.474 -6.486 11.135 1.00 2.11 O ATOM 1144 OE2 GLU A 71 -8.632 -6.770 9.297 1.00 61.32 O ATOM 0 H GLU A 71 -10.745 -10.231 13.058 1.00 0.22 H new ATOM 0 HA GLU A 71 -9.228 -11.236 10.904 1.00 64.11 H new ATOM 0 HB2 GLU A 71 -10.095 -8.903 11.135 1.00 52.32 H new ATOM 0 HB3 GLU A 71 -8.987 -8.623 12.463 1.00 52.32 H new ATOM 0 HG2 GLU A 71 -7.063 -9.026 10.913 1.00 61.11 H new ATOM 0 HG3 GLU A 71 -8.194 -9.236 9.591 1.00 61.11 H new ATOM 1151 N ASP A 72 -7.611 -11.080 13.739 1.00 71.31 N ATOM 1152 CA ASP A 72 -6.362 -11.465 14.400 1.00 54.21 C ATOM 1153 C ASP A 72 -5.974 -12.911 14.040 1.00 23.55 C ATOM 1154 O ASP A 72 -4.798 -13.212 13.815 1.00 22.54 O ATOM 1155 CB ASP A 72 -6.496 -11.309 15.917 1.00 11.11 C ATOM 1156 CG ASP A 72 -5.153 -11.353 16.620 1.00 21.42 C ATOM 1157 OD1 ASP A 72 -4.461 -10.312 16.642 1.00 62.12 O ATOM 1158 OD2 ASP A 72 -4.779 -12.421 17.145 1.00 51.02 O ATOM 0 H ASP A 72 -8.366 -10.827 14.377 1.00 71.31 H new ATOM 0 HA ASP A 72 -5.570 -10.804 14.048 1.00 54.21 H new ATOM 0 HB2 ASP A 72 -6.990 -10.364 16.141 1.00 11.11 H new ATOM 0 HB3 ASP A 72 -7.134 -12.102 16.307 1.00 11.11 H new ATOM 1163 N ASP A 73 -6.971 -13.797 13.972 1.00 21.22 N ATOM 1164 CA ASP A 73 -6.746 -15.182 13.544 1.00 14.13 C ATOM 1165 C ASP A 73 -6.167 -15.220 12.118 1.00 53.50 C ATOM 1166 O ASP A 73 -5.270 -16.009 11.815 1.00 73.24 O ATOM 1167 CB ASP A 73 -8.054 -15.978 13.594 1.00 1.30 C ATOM 1168 CG ASP A 73 -8.693 -15.987 14.970 1.00 62.25 C ATOM 1169 OD1 ASP A 73 -8.037 -16.441 15.930 1.00 45.05 O ATOM 1170 OD2 ASP A 73 -9.854 -15.544 15.094 1.00 44.43 O ATOM 0 H ASP A 73 -7.940 -13.582 14.207 1.00 21.22 H new ATOM 0 HA ASP A 73 -6.029 -15.636 14.228 1.00 14.13 H new ATOM 0 HB2 ASP A 73 -8.757 -15.555 12.876 1.00 1.30 H new ATOM 0 HB3 ASP A 73 -7.860 -17.005 13.283 1.00 1.30 H new ATOM 1175 N VAL A 74 -6.688 -14.350 11.250 1.00 53.31 N ATOM 1176 CA VAL A 74 -6.177 -14.207 9.881 1.00 31.23 C ATOM 1177 C VAL A 74 -4.686 -13.830 9.882 1.00 20.43 C ATOM 1178 O VAL A 74 -3.882 -14.416 9.156 1.00 11.25 O ATOM 1179 CB VAL A 74 -6.977 -13.137 9.095 1.00 71.44 C ATOM 1180 CG1 VAL A 74 -6.384 -12.921 7.706 1.00 5.44 C ATOM 1181 CG2 VAL A 74 -8.453 -13.524 9.000 1.00 34.14 C ATOM 0 H VAL A 74 -7.467 -13.730 11.471 1.00 53.31 H new ATOM 0 HA VAL A 74 -6.298 -15.173 9.390 1.00 31.23 H new ATOM 0 HB VAL A 74 -6.906 -12.196 9.641 1.00 71.44 H new ATOM 0 HG11 VAL A 74 -6.964 -12.166 7.176 1.00 5.44 H new ATOM 0 HG12 VAL A 74 -5.351 -12.586 7.799 1.00 5.44 H new ATOM 0 HG13 VAL A 74 -6.412 -13.857 7.149 1.00 5.44 H new ATOM 0 HG21 VAL A 74 -8.995 -12.759 8.444 1.00 34.14 H new ATOM 0 HG22 VAL A 74 -8.546 -14.480 8.485 1.00 34.14 H new ATOM 0 HG23 VAL A 74 -8.872 -13.609 10.003 1.00 34.14 H new ATOM 1191 N LYS A 75 -4.324 -12.856 10.711 1.00 14.24 N ATOM 1192 CA LYS A 75 -2.922 -12.446 10.855 1.00 42.11 C ATOM 1193 C LYS A 75 -2.063 -13.593 11.413 1.00 53.53 C ATOM 1194 O LYS A 75 -0.887 -13.725 11.074 1.00 5.31 O ATOM 1195 CB LYS A 75 -2.827 -11.209 11.753 1.00 44.21 C ATOM 1196 CG LYS A 75 -3.590 -10.010 11.198 1.00 64.44 C ATOM 1197 CD LYS A 75 -3.478 -8.786 12.101 1.00 74.13 C ATOM 1198 CE LYS A 75 -4.285 -7.614 11.552 1.00 43.43 C ATOM 1199 NZ LYS A 75 -4.223 -6.423 12.439 1.00 61.53 N ATOM 0 H LYS A 75 -4.977 -12.334 11.295 1.00 14.24 H new ATOM 0 HA LYS A 75 -2.534 -12.194 9.868 1.00 42.11 H new ATOM 0 HB2 LYS A 75 -3.215 -11.454 12.742 1.00 44.21 H new ATOM 0 HB3 LYS A 75 -1.779 -10.939 11.880 1.00 44.21 H new ATOM 0 HG2 LYS A 75 -3.207 -9.765 10.208 1.00 64.44 H new ATOM 0 HG3 LYS A 75 -4.640 -10.275 11.077 1.00 64.44 H new ATOM 0 HD2 LYS A 75 -3.831 -9.036 13.101 1.00 74.13 H new ATOM 0 HD3 LYS A 75 -2.431 -8.496 12.196 1.00 74.13 H new ATOM 0 HE2 LYS A 75 -3.910 -7.348 10.564 1.00 43.43 H new ATOM 0 HE3 LYS A 75 -5.324 -7.918 11.427 1.00 43.43 H new ATOM 0 HZ1 LYS A 75 -4.786 -5.652 12.025 1.00 61.53 H new ATOM 0 HZ2 LYS A 75 -4.605 -6.667 13.375 1.00 61.53 H new ATOM 0 HZ3 LYS A 75 -3.235 -6.115 12.538 1.00 61.53 H new ATOM 1213 N SER A 76 -2.662 -14.431 12.261 1.00 45.33 N ATOM 1214 CA SER A 76 -1.983 -15.636 12.758 1.00 43.14 C ATOM 1215 C SER A 76 -1.727 -16.617 11.608 1.00 55.14 C ATOM 1216 O SER A 76 -0.681 -17.266 11.550 1.00 4.24 O ATOM 1217 CB SER A 76 -2.809 -16.318 13.857 1.00 42.51 C ATOM 1218 OG SER A 76 -2.155 -17.475 14.363 1.00 43.11 O ATOM 0 H SER A 76 -3.609 -14.302 12.618 1.00 45.33 H new ATOM 0 HA SER A 76 -1.027 -15.333 13.185 1.00 43.14 H new ATOM 0 HB2 SER A 76 -2.985 -15.614 14.670 1.00 42.51 H new ATOM 0 HB3 SER A 76 -3.785 -16.596 13.459 1.00 42.51 H new ATOM 0 HG SER A 76 -2.707 -17.884 15.062 1.00 43.11 H new ATOM 1224 N LEU A 77 -2.686 -16.708 10.681 1.00 52.42 N ATOM 1225 CA LEU A 77 -2.510 -17.511 9.465 1.00 51.14 C ATOM 1226 C LEU A 77 -1.316 -17.008 8.643 1.00 21.41 C ATOM 1227 O LEU A 77 -0.581 -17.802 8.064 1.00 45.23 O ATOM 1228 CB LEU A 77 -3.776 -17.486 8.596 1.00 72.44 C ATOM 1229 CG LEU A 77 -5.027 -18.124 9.220 1.00 52.42 C ATOM 1230 CD1 LEU A 77 -6.208 -18.027 8.260 1.00 52.20 C ATOM 1231 CD2 LEU A 77 -4.763 -19.578 9.609 1.00 44.13 C ATOM 0 H LEU A 77 -3.589 -16.238 10.748 1.00 52.42 H new ATOM 0 HA LEU A 77 -2.319 -18.537 9.779 1.00 51.14 H new ATOM 0 HB2 LEU A 77 -4.004 -16.449 8.349 1.00 72.44 H new ATOM 0 HB3 LEU A 77 -3.560 -17.997 7.658 1.00 72.44 H new ATOM 0 HG LEU A 77 -5.274 -17.574 10.128 1.00 52.42 H new ATOM 0 HD11 LEU A 77 -7.086 -18.483 8.716 1.00 52.20 H new ATOM 0 HD12 LEU A 77 -6.415 -16.979 8.043 1.00 52.20 H new ATOM 0 HD13 LEU A 77 -5.968 -18.549 7.334 1.00 52.20 H new ATOM 0 HD21 LEU A 77 -5.664 -20.006 10.048 1.00 44.13 H new ATOM 0 HD22 LEU A 77 -4.486 -20.147 8.722 1.00 44.13 H new ATOM 0 HD23 LEU A 77 -3.951 -19.619 10.335 1.00 44.13 H new ATOM 1243 N SER A 78 -1.131 -15.684 8.599 1.00 30.25 N ATOM 1244 CA SER A 78 0.013 -15.077 7.900 1.00 42.35 C ATOM 1245 C SER A 78 1.334 -15.682 8.388 1.00 32.15 C ATOM 1246 O SER A 78 2.220 -15.999 7.590 1.00 22.03 O ATOM 1247 CB SER A 78 0.031 -13.554 8.103 1.00 65.14 C ATOM 1248 OG SER A 78 1.148 -12.956 7.461 1.00 13.14 O ATOM 0 H SER A 78 -1.758 -15.010 9.039 1.00 30.25 H new ATOM 0 HA SER A 78 -0.098 -15.288 6.836 1.00 42.35 H new ATOM 0 HB2 SER A 78 -0.890 -13.123 7.710 1.00 65.14 H new ATOM 0 HB3 SER A 78 0.059 -13.328 9.169 1.00 65.14 H new ATOM 0 HG SER A 78 1.130 -11.987 7.608 1.00 13.14 H new ATOM 1254 N ARG A 79 1.447 -15.865 9.705 1.00 0.15 N ATOM 1255 CA ARG A 79 2.616 -16.521 10.294 1.00 43.21 C ATOM 1256 C ARG A 79 2.763 -17.951 9.747 1.00 61.54 C ATOM 1257 O ARG A 79 3.845 -18.364 9.334 1.00 12.44 O ATOM 1258 CB ARG A 79 2.504 -16.554 11.826 1.00 22.21 C ATOM 1259 CG ARG A 79 2.293 -15.185 12.475 1.00 31.42 C ATOM 1260 CD ARG A 79 3.388 -14.186 12.104 1.00 22.33 C ATOM 1261 NE ARG A 79 4.734 -14.714 12.347 1.00 64.33 N ATOM 1262 CZ ARG A 79 5.605 -14.190 13.170 1.00 43.30 C ATOM 1263 NH1 ARG A 79 5.284 -13.192 13.933 1.00 32.01 N ATOM 1264 NH2 ARG A 79 6.798 -14.685 13.243 1.00 61.32 N ATOM 0 H ARG A 79 0.745 -15.569 10.383 1.00 0.15 H new ATOM 0 HA ARG A 79 3.501 -15.947 10.021 1.00 43.21 H new ATOM 0 HB2 ARG A 79 1.675 -17.205 12.103 1.00 22.21 H new ATOM 0 HB3 ARG A 79 3.411 -17.000 12.235 1.00 22.21 H new ATOM 0 HG2 ARG A 79 1.325 -14.788 12.170 1.00 31.42 H new ATOM 0 HG3 ARG A 79 2.263 -15.301 13.558 1.00 31.42 H new ATOM 0 HD2 ARG A 79 3.290 -13.919 11.052 1.00 22.33 H new ATOM 0 HD3 ARG A 79 3.251 -13.271 12.680 1.00 22.33 H new ATOM 0 HE ARG A 79 5.012 -15.552 11.836 1.00 64.33 H new ATOM 0 HH11 ARG A 79 4.341 -12.805 13.897 1.00 32.01 H new ATOM 0 HH12 ARG A 79 5.974 -12.794 14.570 1.00 32.01 H new ATOM 0 HH21 ARG A 79 7.056 -15.481 12.660 1.00 61.32 H new ATOM 0 HH22 ARG A 79 7.480 -14.279 13.884 1.00 61.32 H new ATOM 1278 N VAL A 80 1.656 -18.694 9.724 1.00 42.42 N ATOM 1279 CA VAL A 80 1.645 -20.056 9.173 1.00 24.31 C ATOM 1280 C VAL A 80 2.081 -20.062 7.699 1.00 21.50 C ATOM 1281 O VAL A 80 2.816 -20.949 7.260 1.00 32.23 O ATOM 1282 CB VAL A 80 0.242 -20.707 9.297 1.00 11.01 C ATOM 1283 CG1 VAL A 80 0.246 -22.136 8.751 1.00 34.52 C ATOM 1284 CG2 VAL A 80 -0.237 -20.680 10.748 1.00 41.54 C ATOM 0 H VAL A 80 0.754 -18.379 10.080 1.00 42.42 H new ATOM 0 HA VAL A 80 2.356 -20.640 9.757 1.00 24.31 H new ATOM 0 HB VAL A 80 -0.455 -20.124 8.695 1.00 11.01 H new ATOM 0 HG11 VAL A 80 -0.750 -22.567 8.851 1.00 34.52 H new ATOM 0 HG12 VAL A 80 0.532 -22.123 7.699 1.00 34.52 H new ATOM 0 HG13 VAL A 80 0.960 -22.738 9.313 1.00 34.52 H new ATOM 0 HG21 VAL A 80 -1.223 -21.141 10.814 1.00 41.54 H new ATOM 0 HG22 VAL A 80 0.465 -21.232 11.373 1.00 41.54 H new ATOM 0 HG23 VAL A 80 -0.295 -19.648 11.093 1.00 41.54 H new ATOM 1294 N MET A 81 1.640 -19.053 6.948 1.00 71.23 N ATOM 1295 CA MET A 81 2.016 -18.906 5.536 1.00 51.34 C ATOM 1296 C MET A 81 3.542 -18.802 5.384 1.00 13.34 C ATOM 1297 O MET A 81 4.129 -19.351 4.449 1.00 51.03 O ATOM 1298 CB MET A 81 1.327 -17.676 4.930 1.00 33.34 C ATOM 1299 CG MET A 81 -0.186 -17.742 5.031 1.00 44.21 C ATOM 1300 SD MET A 81 -0.843 -19.310 4.429 1.00 1.42 S ATOM 1301 CE MET A 81 -2.524 -19.233 5.034 1.00 64.25 C ATOM 0 H MET A 81 1.019 -18.321 7.293 1.00 71.23 H new ATOM 0 HA MET A 81 1.684 -19.793 4.997 1.00 51.34 H new ATOM 0 HB2 MET A 81 1.682 -16.779 5.438 1.00 33.34 H new ATOM 0 HB3 MET A 81 1.613 -17.584 3.882 1.00 33.34 H new ATOM 0 HG2 MET A 81 -0.485 -17.600 6.069 1.00 44.21 H new ATOM 0 HG3 MET A 81 -0.622 -16.924 4.458 1.00 44.21 H new ATOM 0 HE1 MET A 81 -3.167 -19.843 4.400 1.00 64.25 H new ATOM 0 HE2 MET A 81 -2.560 -19.610 6.056 1.00 64.25 H new ATOM 0 HE3 MET A 81 -2.870 -18.200 5.016 1.00 64.25 H new ATOM 1311 N ILE A 82 4.176 -18.106 6.326 1.00 62.34 N ATOM 1312 CA ILE A 82 5.641 -18.035 6.395 1.00 51.30 C ATOM 1313 C ILE A 82 6.254 -19.443 6.543 1.00 72.24 C ATOM 1314 O ILE A 82 7.281 -19.758 5.938 1.00 31.30 O ATOM 1315 CB ILE A 82 6.087 -17.144 7.585 1.00 70.22 C ATOM 1316 CG1 ILE A 82 5.522 -15.719 7.425 1.00 62.50 C ATOM 1317 CG2 ILE A 82 7.612 -17.118 7.709 1.00 41.11 C ATOM 1318 CD1 ILE A 82 5.723 -14.833 8.639 1.00 62.10 C ATOM 0 H ILE A 82 3.698 -17.579 7.057 1.00 62.34 H new ATOM 0 HA ILE A 82 5.998 -17.594 5.465 1.00 51.30 H new ATOM 0 HB ILE A 82 5.688 -17.572 8.505 1.00 70.22 H new ATOM 0 HG12 ILE A 82 5.993 -15.248 6.563 1.00 62.50 H new ATOM 0 HG13 ILE A 82 4.456 -15.785 7.209 1.00 62.50 H new ATOM 0 HG21 ILE A 82 7.898 -16.487 8.550 1.00 41.11 H new ATOM 0 HG22 ILE A 82 7.981 -18.130 7.873 1.00 41.11 H new ATOM 0 HG23 ILE A 82 8.045 -16.718 6.792 1.00 41.11 H new ATOM 0 HD11 ILE A 82 5.298 -13.848 8.445 1.00 62.10 H new ATOM 0 HD12 ILE A 82 5.227 -15.279 9.501 1.00 62.10 H new ATOM 0 HD13 ILE A 82 6.789 -14.734 8.845 1.00 62.10 H new ATOM 1330 N HIS A 83 5.595 -20.292 7.337 1.00 64.11 N ATOM 1331 CA HIS A 83 6.043 -21.677 7.544 1.00 34.11 C ATOM 1332 C HIS A 83 5.872 -22.522 6.268 1.00 3.02 C ATOM 1333 O HIS A 83 6.626 -23.469 6.031 1.00 30.13 O ATOM 1334 CB HIS A 83 5.270 -22.323 8.704 1.00 62.14 C ATOM 1335 CG HIS A 83 5.556 -21.717 10.047 1.00 23.12 C ATOM 1336 ND1 HIS A 83 5.570 -20.427 10.458 1.00 31.20 N flip ATOM 1337 CD2 HIS A 83 5.861 -22.467 11.161 1.00 53.04 C flip ATOM 1338 CE1 HIS A 83 5.878 -20.429 11.793 1.00 23.24 C flip ATOM 1339 NE2 HIS A 83 6.048 -21.668 12.191 1.00 52.23 N flip ATOM 0 H HIS A 83 4.748 -20.046 7.849 1.00 64.11 H new ATOM 0 HA HIS A 83 7.104 -21.646 7.792 1.00 34.11 H new ATOM 0 HB2 HIS A 83 4.202 -22.244 8.502 1.00 62.14 H new ATOM 0 HB3 HIS A 83 5.510 -23.386 8.739 1.00 62.14 H new ATOM 0 HD1 HIS A 83 5.386 -19.606 9.881 1.00 31.20 H new ATOM 0 HD2 HIS A 83 5.935 -23.544 11.186 1.00 53.04 H new ATOM 0 HE1 HIS A 83 5.967 -19.552 12.417 1.00 23.24 H new ATOM 1348 N VAL A 84 4.878 -22.179 5.450 1.00 62.20 N ATOM 1349 CA VAL A 84 4.653 -22.869 4.173 1.00 1.05 C ATOM 1350 C VAL A 84 5.842 -22.665 3.213 1.00 72.45 C ATOM 1351 O VAL A 84 6.130 -23.519 2.371 1.00 45.51 O ATOM 1352 CB VAL A 84 3.337 -22.393 3.495 1.00 43.10 C ATOM 1353 CG1 VAL A 84 3.118 -23.097 2.154 1.00 10.00 C ATOM 1354 CG2 VAL A 84 2.139 -22.621 4.421 1.00 23.24 C ATOM 0 H VAL A 84 4.215 -21.429 5.645 1.00 62.20 H new ATOM 0 HA VAL A 84 4.562 -23.932 4.395 1.00 1.05 H new ATOM 0 HB VAL A 84 3.430 -21.324 3.303 1.00 43.10 H new ATOM 0 HG11 VAL A 84 2.190 -22.743 1.705 1.00 10.00 H new ATOM 0 HG12 VAL A 84 3.951 -22.877 1.487 1.00 10.00 H new ATOM 0 HG13 VAL A 84 3.056 -24.173 2.314 1.00 10.00 H new ATOM 0 HG21 VAL A 84 1.228 -22.281 3.928 1.00 23.24 H new ATOM 0 HG22 VAL A 84 2.053 -23.683 4.650 1.00 23.24 H new ATOM 0 HG23 VAL A 84 2.282 -22.061 5.345 1.00 23.24 H new ATOM 1364 N PHE A 85 6.542 -21.539 3.360 1.00 44.01 N ATOM 1365 CA PHE A 85 7.728 -21.246 2.540 1.00 25.04 C ATOM 1366 C PHE A 85 9.038 -21.685 3.222 1.00 42.41 C ATOM 1367 O PHE A 85 10.126 -21.344 2.758 1.00 42.10 O ATOM 1368 CB PHE A 85 7.792 -19.748 2.210 1.00 15.43 C ATOM 1369 CG PHE A 85 6.731 -19.299 1.238 1.00 0.15 C ATOM 1370 CD1 PHE A 85 6.704 -19.808 -0.054 1.00 20.41 C ATOM 1371 CD2 PHE A 85 5.767 -18.373 1.609 1.00 64.14 C ATOM 1372 CE1 PHE A 85 5.738 -19.402 -0.953 1.00 3.30 C ATOM 1373 CE2 PHE A 85 4.799 -17.964 0.712 1.00 4.53 C ATOM 1374 CZ PHE A 85 4.786 -18.480 -0.570 1.00 31.12 C ATOM 0 H PHE A 85 6.312 -20.813 4.038 1.00 44.01 H new ATOM 0 HA PHE A 85 7.627 -21.822 1.620 1.00 25.04 H new ATOM 0 HB2 PHE A 85 7.693 -19.177 3.133 1.00 15.43 H new ATOM 0 HB3 PHE A 85 8.774 -19.517 1.796 1.00 15.43 H new ATOM 0 HD1 PHE A 85 7.447 -20.530 -0.359 1.00 20.41 H new ATOM 0 HD2 PHE A 85 5.773 -17.967 2.610 1.00 64.14 H new ATOM 0 HE1 PHE A 85 5.728 -19.806 -1.955 1.00 3.30 H new ATOM 0 HE2 PHE A 85 4.054 -17.242 1.012 1.00 4.53 H new ATOM 0 HZ PHE A 85 4.030 -18.161 -1.272 1.00 31.12 H new ATOM 1458 N TRP A 92 7.335 -25.396 -7.211 1.00 25.33 N ATOM 1459 CA TRP A 92 6.247 -24.397 -7.172 1.00 43.31 C ATOM 1460 C TRP A 92 4.999 -24.886 -6.400 1.00 24.42 C ATOM 1461 O TRP A 92 4.059 -24.119 -6.179 1.00 63.11 O ATOM 1462 CB TRP A 92 5.872 -23.945 -8.594 1.00 51.20 C ATOM 1463 CG TRP A 92 6.963 -23.157 -9.267 1.00 3.12 C ATOM 1464 CD1 TRP A 92 7.831 -23.597 -10.227 1.00 55.32 C ATOM 1465 CD2 TRP A 92 7.308 -21.790 -9.012 1.00 64.40 C ATOM 1466 NE1 TRP A 92 8.689 -22.584 -10.585 1.00 2.41 N ATOM 1467 CE2 TRP A 92 8.386 -21.465 -9.854 1.00 25.45 C ATOM 1468 CE3 TRP A 92 6.803 -20.810 -8.154 1.00 70.02 C ATOM 1469 CZ2 TRP A 92 8.969 -20.199 -9.861 1.00 3.44 C ATOM 1470 CZ3 TRP A 92 7.381 -19.555 -8.159 1.00 4.35 C ATOM 1471 CH2 TRP A 92 8.454 -19.258 -9.009 1.00 2.32 C ATOM 0 HA TRP A 92 6.632 -23.541 -6.618 1.00 43.31 H new ATOM 0 HB2 TRP A 92 5.639 -24.822 -9.198 1.00 51.20 H new ATOM 0 HB3 TRP A 92 4.967 -23.338 -8.550 1.00 51.20 H new ATOM 0 HD1 TRP A 92 7.841 -24.594 -10.643 1.00 55.32 H new ATOM 0 HE1 TRP A 92 9.431 -22.654 -11.282 1.00 2.41 H new ATOM 0 HE3 TRP A 92 5.974 -21.030 -7.497 1.00 70.02 H new ATOM 0 HZ2 TRP A 92 9.797 -19.968 -10.515 1.00 3.44 H new ATOM 0 HZ3 TRP A 92 7.000 -18.791 -7.497 1.00 4.35 H new ATOM 0 HH2 TRP A 92 8.884 -18.267 -8.992 1.00 2.32 H new ATOM 1482 N GLY A 93 5.005 -26.151 -5.964 1.00 15.31 N ATOM 1483 CA GLY A 93 3.922 -26.677 -5.132 1.00 40.33 C ATOM 1484 C GLY A 93 3.679 -25.840 -3.878 1.00 24.32 C ATOM 1485 O GLY A 93 2.586 -25.851 -3.312 1.00 64.02 O ATOM 0 H GLY A 93 5.743 -26.823 -6.173 1.00 15.31 H new ATOM 0 HA2 GLY A 93 3.005 -26.717 -5.720 1.00 40.33 H new ATOM 0 HA3 GLY A 93 4.158 -27.700 -4.840 1.00 40.33 H new ATOM 1489 N ARG A 94 4.713 -25.119 -3.444 1.00 14.21 N ATOM 1490 CA ARG A 94 4.602 -24.186 -2.319 1.00 30.42 C ATOM 1491 C ARG A 94 3.518 -23.130 -2.582 1.00 73.45 C ATOM 1492 O ARG A 94 2.706 -22.832 -1.707 1.00 2.41 O ATOM 1493 CB ARG A 94 5.957 -23.504 -2.073 1.00 43.11 C ATOM 1494 CG ARG A 94 7.087 -24.473 -1.718 1.00 60.41 C ATOM 1495 CD ARG A 94 7.039 -24.925 -0.258 1.00 53.44 C ATOM 1496 NE ARG A 94 5.755 -25.521 0.120 1.00 62.02 N ATOM 1497 CZ ARG A 94 5.588 -26.779 0.438 1.00 13.13 C ATOM 1498 NH1 ARG A 94 6.578 -27.612 0.383 1.00 43.50 N ATOM 1499 NH2 ARG A 94 4.423 -27.204 0.805 1.00 54.14 N ATOM 0 H ARG A 94 5.644 -25.163 -3.857 1.00 14.21 H new ATOM 0 HA ARG A 94 4.315 -24.750 -1.431 1.00 30.42 H new ATOM 0 HB2 ARG A 94 6.238 -22.946 -2.966 1.00 43.11 H new ATOM 0 HB3 ARG A 94 5.846 -22.780 -1.266 1.00 43.11 H new ATOM 0 HG2 ARG A 94 7.028 -25.347 -2.367 1.00 60.41 H new ATOM 0 HG3 ARG A 94 8.046 -23.994 -1.915 1.00 60.41 H new ATOM 0 HD2 ARG A 94 7.834 -25.650 -0.082 1.00 53.44 H new ATOM 0 HD3 ARG A 94 7.239 -24.070 0.387 1.00 53.44 H new ATOM 0 HE ARG A 94 4.936 -24.914 0.136 1.00 62.02 H new ATOM 0 HH11 ARG A 94 7.500 -27.290 0.089 1.00 43.50 H new ATOM 0 HH12 ARG A 94 6.436 -28.591 0.633 1.00 43.50 H new ATOM 0 HH21 ARG A 94 3.634 -26.558 0.846 1.00 54.14 H new ATOM 0 HH22 ARG A 94 4.293 -28.185 1.053 1.00 54.14 H new ATOM 1513 N ILE A 95 3.505 -22.588 -3.800 1.00 32.03 N ATOM 1514 CA ILE A 95 2.515 -21.579 -4.195 1.00 41.31 C ATOM 1515 C ILE A 95 1.099 -22.176 -4.217 1.00 72.35 C ATOM 1516 O ILE A 95 0.165 -21.618 -3.637 1.00 32.44 O ATOM 1517 CB ILE A 95 2.836 -20.995 -5.595 1.00 22.04 C ATOM 1518 CG1 ILE A 95 4.290 -20.492 -5.653 1.00 74.14 C ATOM 1519 CG2 ILE A 95 1.861 -19.871 -5.950 1.00 44.43 C ATOM 1520 CD1 ILE A 95 4.622 -19.428 -4.626 1.00 52.51 C ATOM 0 H ILE A 95 4.170 -22.830 -4.534 1.00 32.03 H new ATOM 0 HA ILE A 95 2.560 -20.780 -3.455 1.00 41.31 H new ATOM 0 HB ILE A 95 2.720 -21.791 -6.331 1.00 22.04 H new ATOM 0 HG12 ILE A 95 4.961 -21.339 -5.512 1.00 74.14 H new ATOM 0 HG13 ILE A 95 4.485 -20.093 -6.649 1.00 74.14 H new ATOM 0 HG21 ILE A 95 2.105 -19.476 -6.936 1.00 44.43 H new ATOM 0 HG22 ILE A 95 0.843 -20.261 -5.957 1.00 44.43 H new ATOM 0 HG23 ILE A 95 1.939 -19.074 -5.210 1.00 44.43 H new ATOM 0 HD11 ILE A 95 5.665 -19.129 -4.736 1.00 52.51 H new ATOM 0 HD12 ILE A 95 3.978 -18.562 -4.779 1.00 52.51 H new ATOM 0 HD13 ILE A 95 4.462 -19.827 -3.624 1.00 52.51 H new ATOM 1532 N VAL A 96 0.957 -23.321 -4.888 1.00 71.24 N ATOM 1533 CA VAL A 96 -0.327 -24.032 -4.954 1.00 14.13 C ATOM 1534 C VAL A 96 -0.885 -24.305 -3.551 1.00 63.33 C ATOM 1535 O VAL A 96 -2.023 -23.957 -3.246 1.00 72.12 O ATOM 1536 CB VAL A 96 -0.192 -25.379 -5.712 1.00 10.14 C ATOM 1537 CG1 VAL A 96 -1.542 -26.093 -5.808 1.00 45.03 C ATOM 1538 CG2 VAL A 96 0.404 -25.158 -7.099 1.00 74.33 C ATOM 0 H VAL A 96 1.715 -23.778 -5.395 1.00 71.24 H new ATOM 0 HA VAL A 96 -1.015 -23.384 -5.497 1.00 14.13 H new ATOM 0 HB VAL A 96 0.485 -26.019 -5.146 1.00 10.14 H new ATOM 0 HG11 VAL A 96 -1.419 -27.034 -6.344 1.00 45.03 H new ATOM 0 HG12 VAL A 96 -1.920 -26.293 -4.805 1.00 45.03 H new ATOM 0 HG13 VAL A 96 -2.251 -25.461 -6.343 1.00 45.03 H new ATOM 0 HG21 VAL A 96 0.491 -26.115 -7.614 1.00 74.33 H new ATOM 0 HG22 VAL A 96 -0.244 -24.494 -7.672 1.00 74.33 H new ATOM 0 HG23 VAL A 96 1.392 -24.707 -7.003 1.00 74.33 H new ATOM 1548 N THR A 97 -0.063 -24.919 -2.701 1.00 64.30 N ATOM 1549 CA THR A 97 -0.457 -25.241 -1.322 1.00 75.11 C ATOM 1550 C THR A 97 -0.869 -23.984 -0.542 1.00 12.13 C ATOM 1551 O THR A 97 -1.862 -23.992 0.183 1.00 50.11 O ATOM 1552 CB THR A 97 0.691 -25.955 -0.560 1.00 65.20 C ATOM 1553 OG1 THR A 97 1.079 -27.151 -1.256 1.00 62.52 O ATOM 1554 CG2 THR A 97 0.278 -26.315 0.867 1.00 34.50 C ATOM 0 H THR A 97 0.886 -25.206 -2.941 1.00 64.30 H new ATOM 0 HA THR A 97 -1.314 -25.910 -1.392 1.00 75.11 H new ATOM 0 HB THR A 97 1.533 -25.264 -0.513 1.00 65.20 H new ATOM 0 HG1 THR A 97 1.627 -26.914 -2.033 1.00 62.52 H new ATOM 0 HG21 THR A 97 1.106 -26.813 1.371 1.00 34.50 H new ATOM 0 HG22 THR A 97 0.017 -25.407 1.410 1.00 34.50 H new ATOM 0 HG23 THR A 97 -0.584 -26.982 0.839 1.00 34.50 H new ATOM 1562 N LEU A 98 -0.105 -22.904 -0.706 1.00 42.02 N ATOM 1563 CA LEU A 98 -0.392 -21.634 -0.025 1.00 25.02 C ATOM 1564 C LEU A 98 -1.791 -21.103 -0.385 1.00 43.02 C ATOM 1565 O LEU A 98 -2.626 -20.853 0.489 1.00 43.31 O ATOM 1566 CB LEU A 98 0.661 -20.588 -0.419 1.00 35.10 C ATOM 1567 CG LEU A 98 0.526 -19.226 0.280 1.00 34.31 C ATOM 1568 CD1 LEU A 98 0.934 -19.329 1.745 1.00 13.03 C ATOM 1569 CD2 LEU A 98 1.344 -18.161 -0.445 1.00 43.14 C ATOM 0 H LEU A 98 0.720 -22.880 -1.305 1.00 42.02 H new ATOM 0 HA LEU A 98 -0.361 -21.816 1.049 1.00 25.02 H new ATOM 0 HB2 LEU A 98 1.650 -20.993 -0.203 1.00 35.10 H new ATOM 0 HB3 LEU A 98 0.609 -20.432 -1.496 1.00 35.10 H new ATOM 0 HG LEU A 98 -0.521 -18.925 0.243 1.00 34.31 H new ATOM 0 HD11 LEU A 98 0.831 -18.354 2.221 1.00 13.03 H new ATOM 0 HD12 LEU A 98 0.292 -20.050 2.252 1.00 13.03 H new ATOM 0 HD13 LEU A 98 1.971 -19.657 1.812 1.00 13.03 H new ATOM 0 HD21 LEU A 98 1.233 -17.205 0.068 1.00 43.14 H new ATOM 0 HD22 LEU A 98 2.395 -18.450 -0.450 1.00 43.14 H new ATOM 0 HD23 LEU A 98 0.989 -18.066 -1.471 1.00 43.14 H new ATOM 1581 N ILE A 99 -2.043 -20.954 -1.683 1.00 75.12 N ATOM 1582 CA ILE A 99 -3.312 -20.405 -2.168 1.00 51.04 C ATOM 1583 C ILE A 99 -4.478 -21.385 -1.933 1.00 22.42 C ATOM 1584 O ILE A 99 -5.599 -20.970 -1.629 1.00 50.05 O ATOM 1585 CB ILE A 99 -3.220 -20.044 -3.674 1.00 33.33 C ATOM 1586 CG1 ILE A 99 -2.015 -19.121 -3.926 1.00 24.54 C ATOM 1587 CG2 ILE A 99 -4.512 -19.378 -4.150 1.00 54.13 C ATOM 1588 CD1 ILE A 99 -1.803 -18.767 -5.384 1.00 4.34 C ATOM 0 H ILE A 99 -1.386 -21.206 -2.421 1.00 75.12 H new ATOM 0 HA ILE A 99 -3.509 -19.496 -1.599 1.00 51.04 H new ATOM 0 HB ILE A 99 -3.081 -20.964 -4.242 1.00 33.33 H new ATOM 0 HG12 ILE A 99 -2.149 -18.202 -3.356 1.00 24.54 H new ATOM 0 HG13 ILE A 99 -1.115 -19.604 -3.546 1.00 24.54 H new ATOM 0 HG21 ILE A 99 -4.426 -19.133 -5.209 1.00 54.13 H new ATOM 0 HG22 ILE A 99 -5.349 -20.060 -4.002 1.00 54.13 H new ATOM 0 HG23 ILE A 99 -4.683 -18.465 -3.579 1.00 54.13 H new ATOM 0 HD11 ILE A 99 -0.935 -18.114 -5.477 1.00 4.34 H new ATOM 0 HD12 ILE A 99 -1.636 -19.678 -5.959 1.00 4.34 H new ATOM 0 HD13 ILE A 99 -2.686 -18.254 -5.766 1.00 4.34 H new ATOM 1600 N SER A 100 -4.201 -22.685 -2.061 1.00 50.12 N ATOM 1601 CA SER A 100 -5.214 -23.727 -1.817 1.00 52.04 C ATOM 1602 C SER A 100 -5.639 -23.752 -0.346 1.00 11.24 C ATOM 1603 O SER A 100 -6.826 -23.839 -0.040 1.00 61.22 O ATOM 1604 CB SER A 100 -4.696 -25.115 -2.230 1.00 70.43 C ATOM 1605 OG SER A 100 -4.446 -25.184 -3.626 1.00 22.12 O ATOM 0 H SER A 100 -3.286 -23.046 -2.332 1.00 50.12 H new ATOM 0 HA SER A 100 -6.082 -23.481 -2.429 1.00 52.04 H new ATOM 0 HB2 SER A 100 -3.780 -25.340 -1.684 1.00 70.43 H new ATOM 0 HB3 SER A 100 -5.427 -25.874 -1.952 1.00 70.43 H new ATOM 0 HG SER A 100 -3.573 -24.785 -3.822 1.00 22.12 H new ATOM 1611 N PHE A 101 -4.667 -23.678 0.567 1.00 62.03 N ATOM 1612 CA PHE A 101 -4.965 -23.608 2.003 1.00 51.23 C ATOM 1613 C PHE A 101 -5.773 -22.346 2.331 1.00 31.32 C ATOM 1614 O PHE A 101 -6.742 -22.400 3.087 1.00 74.44 O ATOM 1615 CB PHE A 101 -3.674 -23.641 2.835 1.00 63.11 C ATOM 1616 CG PHE A 101 -3.914 -23.602 4.328 1.00 20.03 C ATOM 1617 CD1 PHE A 101 -4.776 -24.510 4.929 1.00 32.14 C ATOM 1618 CD2 PHE A 101 -3.275 -22.666 5.129 1.00 64.05 C ATOM 1619 CE1 PHE A 101 -4.997 -24.482 6.292 1.00 54.42 C ATOM 1620 CE2 PHE A 101 -3.494 -22.634 6.495 1.00 50.41 C ATOM 1621 CZ PHE A 101 -4.356 -23.544 7.077 1.00 61.31 C ATOM 0 H PHE A 101 -3.672 -23.665 0.341 1.00 62.03 H new ATOM 0 HA PHE A 101 -5.564 -24.481 2.261 1.00 51.23 H new ATOM 0 HB2 PHE A 101 -3.116 -24.544 2.589 1.00 63.11 H new ATOM 0 HB3 PHE A 101 -3.049 -22.794 2.554 1.00 63.11 H new ATOM 0 HD1 PHE A 101 -5.280 -25.248 4.322 1.00 32.14 H new ATOM 0 HD2 PHE A 101 -2.598 -21.954 4.681 1.00 64.05 H new ATOM 0 HE1 PHE A 101 -5.671 -25.194 6.744 1.00 54.42 H new ATOM 0 HE2 PHE A 101 -2.992 -21.898 7.106 1.00 50.41 H new ATOM 0 HZ PHE A 101 -4.528 -23.522 8.143 1.00 61.31 H new ATOM 1631 N GLY A 102 -5.377 -21.214 1.748 1.00 5.53 N ATOM 1632 CA GLY A 102 -6.129 -19.977 1.925 1.00 33.43 C ATOM 1633 C GLY A 102 -7.579 -20.105 1.467 1.00 52.12 C ATOM 1634 O GLY A 102 -8.505 -19.694 2.171 1.00 60.41 O ATOM 0 H GLY A 102 -4.550 -21.130 1.157 1.00 5.53 H new ATOM 0 HA2 GLY A 102 -6.107 -19.689 2.976 1.00 33.43 H new ATOM 0 HA3 GLY A 102 -5.644 -19.177 1.366 1.00 33.43 H new ATOM 1638 N ALA A 103 -7.775 -20.692 0.288 1.00 32.41 N ATOM 1639 CA ALA A 103 -9.118 -20.938 -0.246 1.00 65.11 C ATOM 1640 C ALA A 103 -9.875 -21.980 0.591 1.00 40.23 C ATOM 1641 O ALA A 103 -11.094 -21.899 0.751 1.00 60.50 O ATOM 1642 CB ALA A 103 -9.029 -21.390 -1.696 1.00 33.45 C ATOM 0 H ALA A 103 -7.019 -21.008 -0.320 1.00 32.41 H new ATOM 0 HA ALA A 103 -9.676 -20.003 -0.195 1.00 65.11 H new ATOM 0 HB1 ALA A 103 -10.032 -21.570 -2.083 1.00 33.45 H new ATOM 0 HB2 ALA A 103 -8.545 -20.615 -2.290 1.00 33.45 H new ATOM 0 HB3 ALA A 103 -8.447 -22.309 -1.755 1.00 33.45 H new ATOM 1648 N PHE A 104 -9.141 -22.954 1.126 1.00 62.42 N ATOM 1649 CA PHE A 104 -9.727 -23.998 1.972 1.00 25.12 C ATOM 1650 C PHE A 104 -10.274 -23.397 3.276 1.00 3.24 C ATOM 1651 O PHE A 104 -11.392 -23.709 3.699 1.00 0.21 O ATOM 1652 CB PHE A 104 -8.680 -25.078 2.278 1.00 73.22 C ATOM 1653 CG PHE A 104 -9.246 -26.293 2.967 1.00 3.24 C ATOM 1654 CD1 PHE A 104 -9.846 -27.305 2.230 1.00 0.13 C ATOM 1655 CD2 PHE A 104 -9.182 -26.424 4.347 1.00 70.53 C ATOM 1656 CE1 PHE A 104 -10.370 -28.419 2.856 1.00 4.03 C ATOM 1657 CE2 PHE A 104 -9.706 -27.536 4.976 1.00 34.21 C ATOM 1658 CZ PHE A 104 -10.298 -28.535 4.230 1.00 61.40 C ATOM 0 H PHE A 104 -8.134 -23.044 0.989 1.00 62.42 H new ATOM 0 HA PHE A 104 -10.557 -24.455 1.433 1.00 25.12 H new ATOM 0 HB2 PHE A 104 -8.207 -25.387 1.346 1.00 73.22 H new ATOM 0 HB3 PHE A 104 -7.899 -24.647 2.904 1.00 73.22 H new ATOM 0 HD1 PHE A 104 -9.904 -27.220 1.155 1.00 0.13 H new ATOM 0 HD2 PHE A 104 -8.717 -25.647 4.936 1.00 70.53 H new ATOM 0 HE1 PHE A 104 -10.836 -29.199 2.271 1.00 4.03 H new ATOM 0 HE2 PHE A 104 -9.653 -27.624 6.051 1.00 34.21 H new ATOM 0 HZ PHE A 104 -10.705 -29.407 4.721 1.00 61.40 H new ATOM 1668 N VAL A 105 -9.484 -22.529 3.909 1.00 52.20 N ATOM 1669 CA VAL A 105 -9.935 -21.817 5.105 1.00 44.34 C ATOM 1670 C VAL A 105 -11.075 -20.852 4.746 1.00 1.22 C ATOM 1671 O VAL A 105 -12.021 -20.683 5.515 1.00 42.03 O ATOM 1672 CB VAL A 105 -8.778 -21.035 5.785 1.00 4.12 C ATOM 1673 CG1 VAL A 105 -9.250 -20.370 7.077 1.00 54.51 C ATOM 1674 CG2 VAL A 105 -7.590 -21.955 6.060 1.00 32.44 C ATOM 0 H VAL A 105 -8.534 -22.303 3.615 1.00 52.20 H new ATOM 0 HA VAL A 105 -10.295 -22.563 5.814 1.00 44.34 H new ATOM 0 HB VAL A 105 -8.456 -20.252 5.099 1.00 4.12 H new ATOM 0 HG11 VAL A 105 -8.420 -19.830 7.532 1.00 54.51 H new ATOM 0 HG12 VAL A 105 -10.058 -19.673 6.853 1.00 54.51 H new ATOM 0 HG13 VAL A 105 -9.609 -21.132 7.768 1.00 54.51 H new ATOM 0 HG21 VAL A 105 -6.792 -21.386 6.536 1.00 32.44 H new ATOM 0 HG22 VAL A 105 -7.902 -22.765 6.720 1.00 32.44 H new ATOM 0 HG23 VAL A 105 -7.227 -22.372 5.120 1.00 32.44 H new ATOM 1684 N ALA A 106 -10.980 -20.242 3.560 1.00 23.31 N ATOM 1685 CA ALA A 106 -12.039 -19.365 3.039 1.00 64.43 C ATOM 1686 C ALA A 106 -13.386 -20.104 2.938 1.00 30.31 C ATOM 1687 O ALA A 106 -14.430 -19.564 3.307 1.00 1.44 O ATOM 1688 CB ALA A 106 -11.643 -18.801 1.677 1.00 3.45 C ATOM 0 H ALA A 106 -10.177 -20.339 2.938 1.00 23.31 H new ATOM 0 HA ALA A 106 -12.161 -18.541 3.742 1.00 64.43 H new ATOM 0 HB1 ALA A 106 -12.438 -18.154 1.306 1.00 3.45 H new ATOM 0 HB2 ALA A 106 -10.723 -18.225 1.775 1.00 3.45 H new ATOM 0 HB3 ALA A 106 -11.485 -19.620 0.976 1.00 3.45 H new ATOM 1694 N LYS A 107 -13.355 -21.343 2.435 1.00 73.21 N ATOM 1695 CA LYS A 107 -14.550 -22.202 2.400 1.00 72.13 C ATOM 1696 C LYS A 107 -15.154 -22.353 3.809 1.00 64.21 C ATOM 1697 O LYS A 107 -16.366 -22.208 4.008 1.00 32.50 O ATOM 1698 CB LYS A 107 -14.200 -23.588 1.826 1.00 11.42 C ATOM 1699 CG LYS A 107 -13.807 -23.570 0.347 1.00 25.25 C ATOM 1700 CD LYS A 107 -13.344 -24.946 -0.147 1.00 42.21 C ATOM 1701 CE LYS A 107 -13.054 -24.939 -1.648 1.00 64.23 C ATOM 1702 NZ LYS A 107 -12.435 -26.209 -2.122 1.00 31.53 N ATOM 0 H LYS A 107 -12.517 -21.776 2.046 1.00 73.21 H new ATOM 0 HA LYS A 107 -15.289 -21.729 1.754 1.00 72.13 H new ATOM 0 HB2 LYS A 107 -13.379 -24.012 2.404 1.00 11.42 H new ATOM 0 HB3 LYS A 107 -15.056 -24.250 1.955 1.00 11.42 H new ATOM 0 HG2 LYS A 107 -14.658 -23.239 -0.249 1.00 25.25 H new ATOM 0 HG3 LYS A 107 -13.009 -22.844 0.194 1.00 25.25 H new ATOM 0 HD2 LYS A 107 -12.447 -25.245 0.396 1.00 42.21 H new ATOM 0 HD3 LYS A 107 -14.111 -25.689 0.072 1.00 42.21 H new ATOM 0 HE2 LYS A 107 -13.983 -24.768 -2.192 1.00 64.23 H new ATOM 0 HE3 LYS A 107 -12.390 -24.107 -1.881 1.00 64.23 H new ATOM 0 HZ1 LYS A 107 -12.198 -26.124 -3.131 1.00 31.53 H new ATOM 0 HZ2 LYS A 107 -11.569 -26.398 -1.578 1.00 31.53 H new ATOM 0 HZ3 LYS A 107 -13.105 -26.993 -1.989 1.00 31.53 H new ATOM 1716 N HIS A 108 -14.295 -22.633 4.789 1.00 12.43 N ATOM 1717 CA HIS A 108 -14.721 -22.733 6.187 1.00 54.00 C ATOM 1718 C HIS A 108 -15.231 -21.379 6.716 1.00 14.44 C ATOM 1719 O HIS A 108 -16.156 -21.333 7.527 1.00 63.23 O ATOM 1720 CB HIS A 108 -13.567 -23.248 7.059 1.00 71.55 C ATOM 1721 CG HIS A 108 -13.898 -23.338 8.520 1.00 55.33 C ATOM 1722 ND1 HIS A 108 -14.780 -24.256 9.040 1.00 54.41 N ATOM 1723 CD2 HIS A 108 -13.468 -22.601 9.573 1.00 10.31 C ATOM 1724 CE1 HIS A 108 -14.886 -24.080 10.339 1.00 44.22 C ATOM 1725 NE2 HIS A 108 -14.102 -23.083 10.693 1.00 15.35 N ATOM 0 H HIS A 108 -13.299 -22.795 4.641 1.00 12.43 H new ATOM 0 HA HIS A 108 -15.547 -23.443 6.237 1.00 54.00 H new ATOM 0 HB2 HIS A 108 -13.269 -24.234 6.703 1.00 71.55 H new ATOM 0 HB3 HIS A 108 -12.707 -22.590 6.932 1.00 71.55 H new ATOM 0 HD1 HIS A 108 -15.276 -24.965 8.501 1.00 54.41 H new ATOM 0 HD2 HIS A 108 -12.759 -21.787 9.538 1.00 10.31 H new ATOM 0 HE1 HIS A 108 -15.511 -24.657 11.004 1.00 44.22 H new ATOM 1734 N LEU A 109 -14.625 -20.283 6.252 1.00 70.43 N ATOM 1735 CA LEU A 109 -15.041 -18.935 6.659 1.00 3.23 C ATOM 1736 C LEU A 109 -16.466 -18.622 6.188 1.00 31.34 C ATOM 1737 O LEU A 109 -17.305 -18.195 6.979 1.00 75.43 O ATOM 1738 CB LEU A 109 -14.070 -17.876 6.115 1.00 3.04 C ATOM 1739 CG LEU A 109 -12.663 -17.891 6.732 1.00 53.13 C ATOM 1740 CD1 LEU A 109 -11.782 -16.822 6.093 1.00 22.25 C ATOM 1741 CD2 LEU A 109 -12.733 -17.699 8.245 1.00 3.13 C ATOM 0 H LEU A 109 -13.845 -20.301 5.595 1.00 70.43 H new ATOM 0 HA LEU A 109 -15.025 -18.906 7.749 1.00 3.23 H new ATOM 0 HB2 LEU A 109 -13.977 -18.013 5.038 1.00 3.04 H new ATOM 0 HB3 LEU A 109 -14.508 -16.891 6.275 1.00 3.04 H new ATOM 0 HG LEU A 109 -12.216 -18.865 6.533 1.00 53.13 H new ATOM 0 HD11 LEU A 109 -10.790 -16.850 6.545 1.00 22.25 H new ATOM 0 HD12 LEU A 109 -11.699 -17.011 5.023 1.00 22.25 H new ATOM 0 HD13 LEU A 109 -12.226 -15.840 6.254 1.00 22.25 H new ATOM 0 HD21 LEU A 109 -11.725 -17.713 8.661 1.00 3.13 H new ATOM 0 HD22 LEU A 109 -13.205 -16.742 8.469 1.00 3.13 H new ATOM 0 HD23 LEU A 109 -13.319 -18.505 8.687 1.00 3.13 H new ATOM 1753 N LYS A 110 -16.743 -18.856 4.905 1.00 71.13 N ATOM 1754 CA LYS A 110 -18.086 -18.631 4.357 1.00 45.12 C ATOM 1755 C LYS A 110 -19.113 -19.474 5.132 1.00 14.43 C ATOM 1756 O LYS A 110 -20.214 -19.016 5.437 1.00 14.04 O ATOM 1757 CB LYS A 110 -18.111 -18.967 2.849 1.00 72.51 C ATOM 1758 CG LYS A 110 -19.273 -18.335 2.061 1.00 65.13 C ATOM 1759 CD LYS A 110 -20.621 -18.998 2.351 1.00 21.23 C ATOM 1760 CE LYS A 110 -21.770 -18.329 1.597 1.00 73.22 C ATOM 1761 NZ LYS A 110 -21.998 -16.923 2.032 1.00 3.12 N ATOM 0 H LYS A 110 -16.062 -19.199 4.227 1.00 71.13 H new ATOM 0 HA LYS A 110 -18.350 -17.580 4.470 1.00 45.12 H new ATOM 0 HB2 LYS A 110 -17.171 -18.642 2.404 1.00 72.51 H new ATOM 0 HB3 LYS A 110 -18.160 -20.050 2.734 1.00 72.51 H new ATOM 0 HG2 LYS A 110 -19.336 -17.274 2.305 1.00 65.13 H new ATOM 0 HG3 LYS A 110 -19.062 -18.405 0.994 1.00 65.13 H new ATOM 0 HD2 LYS A 110 -20.572 -20.051 2.075 1.00 21.23 H new ATOM 0 HD3 LYS A 110 -20.820 -18.958 3.422 1.00 21.23 H new ATOM 0 HE2 LYS A 110 -21.556 -18.345 0.528 1.00 73.22 H new ATOM 0 HE3 LYS A 110 -22.683 -18.905 1.748 1.00 73.22 H new ATOM 0 HZ1 LYS A 110 -23.000 -16.678 1.902 1.00 3.12 H new ATOM 0 HZ2 LYS A 110 -21.745 -16.825 3.036 1.00 3.12 H new ATOM 0 HZ3 LYS A 110 -21.408 -16.283 1.462 1.00 3.12 H new ATOM 1775 N THR A 111 -18.725 -20.700 5.473 1.00 12.43 N ATOM 1776 CA THR A 111 -19.582 -21.595 6.266 1.00 3.11 C ATOM 1777 C THR A 111 -19.913 -20.996 7.647 1.00 44.21 C ATOM 1778 O THR A 111 -21.007 -21.201 8.177 1.00 54.41 O ATOM 1779 CB THR A 111 -18.921 -22.985 6.464 1.00 3.53 C ATOM 1780 OG1 THR A 111 -18.615 -23.577 5.188 1.00 65.53 O ATOM 1781 CG2 THR A 111 -19.829 -23.929 7.252 1.00 15.43 C ATOM 0 H THR A 111 -17.824 -21.102 5.215 1.00 12.43 H new ATOM 0 HA THR A 111 -20.507 -21.713 5.701 1.00 3.11 H new ATOM 0 HB THR A 111 -18.003 -22.834 7.031 1.00 3.53 H new ATOM 0 HG1 THR A 111 -17.862 -23.101 4.779 1.00 65.53 H new ATOM 0 HG21 THR A 111 -19.335 -24.893 7.372 1.00 15.43 H new ATOM 0 HG22 THR A 111 -20.034 -23.502 8.233 1.00 15.43 H new ATOM 0 HG23 THR A 111 -20.766 -24.066 6.713 1.00 15.43 H new ATOM 1789 N ILE A 112 -18.972 -20.245 8.223 1.00 44.24 N ATOM 1790 CA ILE A 112 -19.152 -19.672 9.569 1.00 51.10 C ATOM 1791 C ILE A 112 -19.420 -18.151 9.535 1.00 64.24 C ATOM 1792 O ILE A 112 -19.168 -17.448 10.517 1.00 61.35 O ATOM 1793 CB ILE A 112 -17.926 -19.965 10.475 1.00 45.30 C ATOM 1794 CG1 ILE A 112 -16.653 -19.313 9.909 1.00 13.41 C ATOM 1795 CG2 ILE A 112 -17.733 -21.472 10.642 1.00 43.34 C ATOM 1796 CD1 ILE A 112 -15.418 -19.535 10.760 1.00 42.42 C ATOM 0 H ILE A 112 -18.079 -20.017 7.785 1.00 44.24 H new ATOM 0 HA ILE A 112 -20.033 -20.158 9.988 1.00 51.10 H new ATOM 0 HB ILE A 112 -18.117 -19.530 11.456 1.00 45.30 H new ATOM 0 HG12 ILE A 112 -16.469 -19.707 8.909 1.00 13.41 H new ATOM 0 HG13 ILE A 112 -16.822 -18.241 9.804 1.00 13.41 H new ATOM 0 HG21 ILE A 112 -16.869 -21.660 11.280 1.00 43.34 H new ATOM 0 HG22 ILE A 112 -18.623 -21.904 11.100 1.00 43.34 H new ATOM 0 HG23 ILE A 112 -17.569 -21.928 9.666 1.00 43.34 H new ATOM 0 HD11 ILE A 112 -14.563 -19.045 10.295 1.00 42.42 H new ATOM 0 HD12 ILE A 112 -15.580 -19.116 11.753 1.00 42.42 H new ATOM 0 HD13 ILE A 112 -15.222 -20.604 10.845 1.00 42.42 H new ATOM 1808 N ASN A 113 -19.955 -17.659 8.412 1.00 21.11 N ATOM 1809 CA ASN A 113 -20.363 -16.243 8.271 1.00 51.32 C ATOM 1810 C ASN A 113 -19.173 -15.265 8.383 1.00 13.21 C ATOM 1811 O ASN A 113 -19.310 -14.154 8.904 1.00 43.12 O ATOM 1812 CB ASN A 113 -21.438 -15.886 9.312 1.00 62.40 C ATOM 1813 CG ASN A 113 -22.721 -16.675 9.117 1.00 51.42 C ATOM 1814 OD1 ASN A 113 -23.610 -16.266 8.378 1.00 32.53 O ATOM 1815 ND2 ASN A 113 -22.839 -17.805 9.787 1.00 1.34 N ATOM 0 H ASN A 113 -20.120 -18.221 7.577 1.00 21.11 H new ATOM 0 HA ASN A 113 -20.776 -16.135 7.268 1.00 51.32 H new ATOM 0 HB2 ASN A 113 -21.048 -16.075 10.312 1.00 62.40 H new ATOM 0 HB3 ASN A 113 -21.658 -14.820 9.252 1.00 62.40 H new ATOM 0 HD21 ASN A 113 -23.687 -18.365 9.698 1.00 1.34 H new ATOM 0 HD22 ASN A 113 -22.082 -18.119 10.394 1.00 1.34 H new ATOM 1822 N GLN A 114 -18.023 -15.663 7.851 1.00 12.15 N ATOM 1823 CA GLN A 114 -16.802 -14.843 7.908 1.00 14.21 C ATOM 1824 C GLN A 114 -16.320 -14.440 6.501 1.00 23.12 C ATOM 1825 O GLN A 114 -15.118 -14.289 6.265 1.00 2.21 O ATOM 1826 CB GLN A 114 -15.694 -15.610 8.646 1.00 34.21 C ATOM 1827 CG GLN A 114 -15.970 -15.837 10.130 1.00 73.44 C ATOM 1828 CD GLN A 114 -15.895 -14.558 10.948 1.00 23.12 C ATOM 1829 OE1 GLN A 114 -16.881 -13.853 11.125 1.00 73.11 O ATOM 1830 NE2 GLN A 114 -14.719 -14.246 11.448 1.00 13.15 N ATOM 0 H GLN A 114 -17.903 -16.554 7.370 1.00 12.15 H new ATOM 0 HA GLN A 114 -17.037 -13.928 8.451 1.00 14.21 H new ATOM 0 HB2 GLN A 114 -15.553 -16.577 8.162 1.00 34.21 H new ATOM 0 HB3 GLN A 114 -14.757 -15.062 8.542 1.00 34.21 H new ATOM 0 HG2 GLN A 114 -16.959 -16.280 10.247 1.00 73.44 H new ATOM 0 HG3 GLN A 114 -15.251 -16.556 10.522 1.00 73.44 H new ATOM 0 HE21 GLN A 114 -13.917 -14.854 11.283 1.00 13.15 H new ATOM 0 HE22 GLN A 114 -14.609 -13.396 12.001 1.00 13.15 H new ATOM 1839 N GLU A 115 -17.260 -14.240 5.577 1.00 23.30 N ATOM 1840 CA GLU A 115 -16.930 -13.813 4.207 1.00 52.44 C ATOM 1841 C GLU A 115 -16.052 -12.549 4.190 1.00 12.13 C ATOM 1842 O GLU A 115 -15.241 -12.358 3.280 1.00 60.22 O ATOM 1843 CB GLU A 115 -18.202 -13.562 3.380 1.00 41.34 C ATOM 1844 CG GLU A 115 -19.018 -14.817 3.079 1.00 54.51 C ATOM 1845 CD GLU A 115 -19.959 -15.219 4.205 1.00 51.42 C ATOM 1846 OE1 GLU A 115 -19.501 -15.824 5.188 1.00 52.44 O ATOM 1847 OE2 GLU A 115 -21.171 -14.939 4.099 1.00 31.22 O ATOM 0 H GLU A 115 -18.258 -14.366 5.747 1.00 23.30 H new ATOM 0 HA GLU A 115 -16.365 -14.630 3.758 1.00 52.44 H new ATOM 0 HB2 GLU A 115 -18.834 -12.852 3.914 1.00 41.34 H new ATOM 0 HB3 GLU A 115 -17.921 -13.092 2.438 1.00 41.34 H new ATOM 0 HG2 GLU A 115 -19.600 -14.652 2.172 1.00 54.51 H new ATOM 0 HG3 GLU A 115 -18.336 -15.643 2.875 1.00 54.51 H new ATOM 1854 N SER A 116 -16.222 -11.687 5.189 1.00 34.24 N ATOM 1855 CA SER A 116 -15.406 -10.471 5.305 1.00 63.31 C ATOM 1856 C SER A 116 -13.944 -10.816 5.615 1.00 3.15 C ATOM 1857 O SER A 116 -13.028 -10.175 5.112 1.00 62.42 O ATOM 1858 CB SER A 116 -15.964 -9.543 6.393 1.00 43.31 C ATOM 1859 OG SER A 116 -17.307 -9.173 6.117 1.00 65.04 O ATOM 0 H SER A 116 -16.914 -11.803 5.930 1.00 34.24 H new ATOM 0 HA SER A 116 -15.445 -9.954 4.346 1.00 63.31 H new ATOM 0 HB2 SER A 116 -15.914 -10.042 7.361 1.00 43.31 H new ATOM 0 HB3 SER A 116 -15.345 -8.648 6.463 1.00 43.31 H new ATOM 0 HG SER A 116 -17.636 -8.584 6.827 1.00 65.04 H new ATOM 1865 N SER A 117 -13.739 -11.849 6.435 1.00 41.11 N ATOM 1866 CA SER A 117 -12.388 -12.296 6.822 1.00 41.33 C ATOM 1867 C SER A 117 -11.599 -12.852 5.627 1.00 11.00 C ATOM 1868 O SER A 117 -10.367 -12.823 5.617 1.00 42.40 O ATOM 1869 CB SER A 117 -12.468 -13.358 7.929 1.00 72.14 C ATOM 1870 OG SER A 117 -13.105 -12.843 9.090 1.00 42.32 O ATOM 0 H SER A 117 -14.492 -12.398 6.849 1.00 41.11 H new ATOM 0 HA SER A 117 -11.857 -11.420 7.195 1.00 41.33 H new ATOM 0 HB2 SER A 117 -13.017 -14.226 7.565 1.00 72.14 H new ATOM 0 HB3 SER A 117 -11.464 -13.699 8.183 1.00 72.14 H new ATOM 0 HG SER A 117 -12.871 -13.396 9.864 1.00 42.32 H new ATOM 1876 N ILE A 118 -12.316 -13.374 4.634 1.00 30.00 N ATOM 1877 CA ILE A 118 -11.691 -13.948 3.431 1.00 73.11 C ATOM 1878 C ILE A 118 -10.767 -12.943 2.709 1.00 15.24 C ATOM 1879 O ILE A 118 -9.692 -13.310 2.227 1.00 54.50 O ATOM 1880 CB ILE A 118 -12.769 -14.457 2.434 1.00 33.44 C ATOM 1881 CG1 ILE A 118 -13.643 -15.539 3.096 1.00 71.41 C ATOM 1882 CG2 ILE A 118 -12.123 -14.991 1.155 1.00 44.34 C ATOM 1883 CD1 ILE A 118 -14.727 -16.094 2.192 1.00 20.22 C ATOM 0 H ILE A 118 -13.335 -13.414 4.634 1.00 30.00 H new ATOM 0 HA ILE A 118 -11.081 -14.784 3.773 1.00 73.11 H new ATOM 0 HB ILE A 118 -13.406 -13.616 2.161 1.00 33.44 H new ATOM 0 HG12 ILE A 118 -13.003 -16.358 3.424 1.00 71.41 H new ATOM 0 HG13 ILE A 118 -14.108 -15.120 3.989 1.00 71.41 H new ATOM 0 HG21 ILE A 118 -12.899 -15.341 0.474 1.00 44.34 H new ATOM 0 HG22 ILE A 118 -11.552 -14.195 0.676 1.00 44.34 H new ATOM 0 HG23 ILE A 118 -11.457 -15.818 1.402 1.00 44.34 H new ATOM 0 HD11 ILE A 118 -15.298 -16.850 2.731 1.00 20.22 H new ATOM 0 HD12 ILE A 118 -15.392 -15.287 1.884 1.00 20.22 H new ATOM 0 HD13 ILE A 118 -14.270 -16.544 1.311 1.00 20.22 H new ATOM 1895 N GLU A 119 -11.180 -11.677 2.646 1.00 52.23 N ATOM 1896 CA GLU A 119 -10.415 -10.646 1.925 1.00 73.24 C ATOM 1897 C GLU A 119 -9.044 -10.353 2.583 1.00 61.34 C ATOM 1898 O GLU A 119 -8.011 -10.460 1.914 1.00 44.33 O ATOM 1899 CB GLU A 119 -11.252 -9.364 1.773 1.00 5.45 C ATOM 1900 CG GLU A 119 -12.496 -9.553 0.909 1.00 35.50 C ATOM 1901 CD GLU A 119 -13.369 -8.310 0.848 1.00 73.33 C ATOM 1902 OE1 GLU A 119 -13.042 -7.380 0.081 1.00 3.51 O ATOM 1903 OE2 GLU A 119 -14.389 -8.261 1.572 1.00 24.44 O ATOM 0 H GLU A 119 -12.037 -11.336 3.082 1.00 52.23 H new ATOM 0 HA GLU A 119 -10.198 -11.038 0.932 1.00 73.24 H new ATOM 0 HB2 GLU A 119 -11.554 -9.016 2.761 1.00 5.45 H new ATOM 0 HB3 GLU A 119 -10.630 -8.582 1.336 1.00 5.45 H new ATOM 0 HG2 GLU A 119 -12.192 -9.827 -0.101 1.00 35.50 H new ATOM 0 HG3 GLU A 119 -13.082 -10.384 1.302 1.00 35.50 H new ATOM 1910 N PRO A 120 -8.985 -9.989 3.893 1.00 21.12 N ATOM 1911 CA PRO A 120 -7.698 -9.812 4.592 1.00 43.51 C ATOM 1912 C PRO A 120 -6.858 -11.102 4.595 1.00 72.50 C ATOM 1913 O PRO A 120 -5.628 -11.056 4.678 1.00 32.15 O ATOM 1914 CB PRO A 120 -8.098 -9.411 6.024 1.00 22.43 C ATOM 1915 CG PRO A 120 -9.528 -9.812 6.158 1.00 64.24 C ATOM 1916 CD PRO A 120 -10.124 -9.697 4.780 1.00 4.25 C ATOM 0 HA PRO A 120 -7.071 -9.067 4.103 1.00 43.51 H new ATOM 0 HB2 PRO A 120 -7.476 -9.917 6.763 1.00 22.43 H new ATOM 0 HB3 PRO A 120 -7.973 -8.340 6.182 1.00 22.43 H new ATOM 0 HG2 PRO A 120 -9.613 -10.831 6.536 1.00 64.24 H new ATOM 0 HG3 PRO A 120 -10.050 -9.165 6.864 1.00 64.24 H new ATOM 0 HD2 PRO A 120 -10.939 -10.405 4.634 1.00 4.25 H new ATOM 0 HD3 PRO A 120 -10.530 -8.702 4.599 1.00 4.25 H new ATOM 1924 N LEU A 121 -7.530 -12.254 4.505 1.00 53.31 N ATOM 1925 CA LEU A 121 -6.842 -13.543 4.372 1.00 34.40 C ATOM 1926 C LEU A 121 -6.093 -13.598 3.030 1.00 63.43 C ATOM 1927 O LEU A 121 -4.910 -13.942 2.978 1.00 3.30 O ATOM 1928 CB LEU A 121 -7.857 -14.699 4.500 1.00 2.41 C ATOM 1929 CG LEU A 121 -7.270 -16.102 4.784 1.00 63.52 C ATOM 1930 CD1 LEU A 121 -8.354 -17.039 5.312 1.00 21.31 C ATOM 1931 CD2 LEU A 121 -6.629 -16.709 3.538 1.00 63.34 C ATOM 0 H LEU A 121 -8.548 -12.321 4.522 1.00 53.31 H new ATOM 0 HA LEU A 121 -6.110 -13.651 5.172 1.00 34.40 H new ATOM 0 HB2 LEU A 121 -8.556 -14.453 5.299 1.00 2.41 H new ATOM 0 HB3 LEU A 121 -8.434 -14.751 3.577 1.00 2.41 H new ATOM 0 HG LEU A 121 -6.495 -15.981 5.541 1.00 63.52 H new ATOM 0 HD11 LEU A 121 -7.923 -18.021 5.506 1.00 21.31 H new ATOM 0 HD12 LEU A 121 -8.766 -16.634 6.236 1.00 21.31 H new ATOM 0 HD13 LEU A 121 -9.148 -17.131 4.571 1.00 21.31 H new ATOM 0 HD21 LEU A 121 -6.228 -17.694 3.778 1.00 63.34 H new ATOM 0 HD22 LEU A 121 -7.379 -16.804 2.753 1.00 63.34 H new ATOM 0 HD23 LEU A 121 -5.822 -16.063 3.193 1.00 63.34 H new ATOM 1943 N ALA A 122 -6.786 -13.232 1.955 1.00 32.11 N ATOM 1944 CA ALA A 122 -6.170 -13.128 0.629 1.00 13.12 C ATOM 1945 C ALA A 122 -5.011 -12.116 0.631 1.00 73.21 C ATOM 1946 O ALA A 122 -3.976 -12.328 -0.014 1.00 10.32 O ATOM 1947 CB ALA A 122 -7.220 -12.734 -0.403 1.00 61.10 C ATOM 0 H ALA A 122 -7.779 -13.001 1.974 1.00 32.11 H new ATOM 0 HA ALA A 122 -5.760 -14.103 0.365 1.00 13.12 H new ATOM 0 HB1 ALA A 122 -6.754 -12.659 -1.386 1.00 61.10 H new ATOM 0 HB2 ALA A 122 -8.005 -13.490 -0.430 1.00 61.10 H new ATOM 0 HB3 ALA A 122 -7.653 -11.771 -0.132 1.00 61.10 H new ATOM 1953 N GLU A 123 -5.192 -11.014 1.362 1.00 20.22 N ATOM 1954 CA GLU A 123 -4.131 -10.020 1.541 1.00 35.32 C ATOM 1955 C GLU A 123 -2.920 -10.629 2.263 1.00 43.00 C ATOM 1956 O GLU A 123 -1.779 -10.355 1.906 1.00 52.32 O ATOM 1957 CB GLU A 123 -4.648 -8.801 2.322 1.00 30.51 C ATOM 1958 CG GLU A 123 -5.729 -8.006 1.593 1.00 53.41 C ATOM 1959 CD GLU A 123 -6.150 -6.757 2.355 1.00 13.24 C ATOM 1960 OE1 GLU A 123 -5.507 -5.697 2.178 1.00 22.01 O ATOM 1961 OE2 GLU A 123 -7.113 -6.827 3.142 1.00 32.02 O ATOM 0 H GLU A 123 -6.064 -10.787 1.840 1.00 20.22 H new ATOM 0 HA GLU A 123 -3.816 -9.693 0.550 1.00 35.32 H new ATOM 0 HB2 GLU A 123 -5.044 -9.138 3.280 1.00 30.51 H new ATOM 0 HB3 GLU A 123 -3.809 -8.139 2.539 1.00 30.51 H new ATOM 0 HG2 GLU A 123 -5.362 -7.720 0.607 1.00 53.41 H new ATOM 0 HG3 GLU A 123 -6.600 -8.643 1.436 1.00 53.41 H new ATOM 1968 N SER A 124 -3.180 -11.462 3.274 1.00 41.33 N ATOM 1969 CA SER A 124 -2.107 -12.156 4.009 1.00 54.34 C ATOM 1970 C SER A 124 -1.314 -13.087 3.083 1.00 12.00 C ATOM 1971 O SER A 124 -0.082 -13.091 3.097 1.00 53.24 O ATOM 1972 CB SER A 124 -2.681 -12.968 5.181 1.00 73.04 C ATOM 1973 OG SER A 124 -3.326 -12.128 6.126 1.00 72.22 O ATOM 0 H SER A 124 -4.121 -11.675 3.606 1.00 41.33 H new ATOM 0 HA SER A 124 -1.435 -11.392 4.400 1.00 54.34 H new ATOM 0 HB2 SER A 124 -3.390 -13.704 4.803 1.00 73.04 H new ATOM 0 HB3 SER A 124 -1.879 -13.520 5.671 1.00 73.04 H new ATOM 0 HG SER A 124 -4.118 -11.722 5.716 1.00 72.22 H new ATOM 1979 N ILE A 125 -2.036 -13.873 2.282 1.00 35.23 N ATOM 1980 CA ILE A 125 -1.413 -14.760 1.290 1.00 52.44 C ATOM 1981 C ILE A 125 -0.479 -13.972 0.357 1.00 73.21 C ATOM 1982 O ILE A 125 0.692 -14.320 0.179 1.00 20.11 O ATOM 1983 CB ILE A 125 -2.487 -15.481 0.428 1.00 54.01 C ATOM 1984 CG1 ILE A 125 -3.454 -16.287 1.311 1.00 15.13 C ATOM 1985 CG2 ILE A 125 -1.830 -16.392 -0.611 1.00 64.32 C ATOM 1986 CD1 ILE A 125 -2.796 -17.420 2.069 1.00 31.31 C ATOM 0 H ILE A 125 -3.055 -13.915 2.299 1.00 35.23 H new ATOM 0 HA ILE A 125 -0.836 -15.502 1.843 1.00 52.44 H new ATOM 0 HB ILE A 125 -3.060 -14.716 -0.096 1.00 54.01 H new ATOM 0 HG12 ILE A 125 -3.926 -15.612 2.025 1.00 15.13 H new ATOM 0 HG13 ILE A 125 -4.247 -16.695 0.685 1.00 15.13 H new ATOM 0 HG21 ILE A 125 -2.602 -16.886 -1.202 1.00 64.32 H new ATOM 0 HG22 ILE A 125 -1.195 -15.797 -1.267 1.00 64.32 H new ATOM 0 HG23 ILE A 125 -1.224 -17.144 -0.105 1.00 64.32 H new ATOM 0 HD11 ILE A 125 -3.544 -17.940 2.668 1.00 31.31 H new ATOM 0 HD12 ILE A 125 -2.348 -18.119 1.362 1.00 31.31 H new ATOM 0 HD13 ILE A 125 -2.022 -17.019 2.723 1.00 31.31 H new ATOM 1998 N THR A 126 -1.010 -12.897 -0.222 1.00 30.54 N ATOM 1999 CA THR A 126 -0.249 -12.051 -1.150 1.00 31.15 C ATOM 2000 C THR A 126 0.901 -11.317 -0.444 1.00 60.24 C ATOM 2001 O THR A 126 1.994 -11.180 -0.999 1.00 41.25 O ATOM 2002 CB THR A 126 -1.164 -11.004 -1.832 1.00 21.40 C ATOM 2003 OG1 THR A 126 -2.289 -11.657 -2.439 1.00 40.32 O ATOM 2004 CG2 THR A 126 -0.405 -10.209 -2.895 1.00 22.52 C ATOM 0 H THR A 126 -1.969 -12.587 -0.066 1.00 30.54 H new ATOM 0 HA THR A 126 0.168 -12.719 -1.903 1.00 31.15 H new ATOM 0 HB THR A 126 -1.508 -10.311 -1.064 1.00 21.40 H new ATOM 0 HG1 THR A 126 -2.930 -11.917 -1.745 1.00 40.32 H new ATOM 0 HG21 THR A 126 -1.076 -9.483 -3.354 1.00 22.52 H new ATOM 0 HG22 THR A 126 0.432 -9.687 -2.431 1.00 22.52 H new ATOM 0 HG23 THR A 126 -0.029 -10.890 -3.659 1.00 22.52 H new ATOM 2012 N ASP A 127 0.653 -10.848 0.782 1.00 43.23 N ATOM 2013 CA ASP A 127 1.673 -10.121 1.543 1.00 34.53 C ATOM 2014 C ASP A 127 2.910 -10.991 1.761 1.00 74.14 C ATOM 2015 O ASP A 127 4.013 -10.599 1.397 1.00 22.34 O ATOM 2016 CB ASP A 127 1.118 -9.654 2.898 1.00 52.02 C ATOM 2017 CG ASP A 127 2.163 -8.913 3.725 1.00 41.43 C ATOM 2018 OD1 ASP A 127 2.451 -7.737 3.406 1.00 75.15 O ATOM 2019 OD2 ASP A 127 2.714 -9.506 4.679 1.00 71.43 O ATOM 0 H ASP A 127 -0.238 -10.957 1.266 1.00 43.23 H new ATOM 0 HA ASP A 127 1.958 -9.244 0.962 1.00 34.53 H new ATOM 0 HB2 ASP A 127 0.260 -9.003 2.732 1.00 52.02 H new ATOM 0 HB3 ASP A 127 0.759 -10.517 3.458 1.00 52.02 H new ATOM 2024 N VAL A 128 2.711 -12.192 2.311 1.00 43.52 N ATOM 2025 CA VAL A 128 3.817 -13.127 2.547 1.00 61.15 C ATOM 2026 C VAL A 128 4.496 -13.521 1.229 1.00 2.41 C ATOM 2027 O VAL A 128 5.724 -13.551 1.134 1.00 43.24 O ATOM 2028 CB VAL A 128 3.338 -14.410 3.273 1.00 20.52 C ATOM 2029 CG1 VAL A 128 4.507 -15.369 3.509 1.00 65.23 C ATOM 2030 CG2 VAL A 128 2.643 -14.061 4.589 1.00 53.55 C ATOM 0 H VAL A 128 1.797 -12.540 2.601 1.00 43.52 H new ATOM 0 HA VAL A 128 4.534 -12.610 3.185 1.00 61.15 H new ATOM 0 HB VAL A 128 2.614 -14.913 2.632 1.00 20.52 H new ATOM 0 HG11 VAL A 128 4.147 -16.262 4.020 1.00 65.23 H new ATOM 0 HG12 VAL A 128 4.946 -15.650 2.552 1.00 65.23 H new ATOM 0 HG13 VAL A 128 5.262 -14.878 4.124 1.00 65.23 H new ATOM 0 HG21 VAL A 128 2.315 -14.977 5.081 1.00 53.55 H new ATOM 0 HG22 VAL A 128 3.339 -13.529 5.238 1.00 53.55 H new ATOM 0 HG23 VAL A 128 1.779 -13.428 4.387 1.00 53.55 H new ATOM 2040 N LEU A 129 3.682 -13.796 0.216 1.00 32.23 N ATOM 2041 CA LEU A 129 4.173 -14.181 -1.111 1.00 13.05 C ATOM 2042 C LEU A 129 5.256 -13.206 -1.619 1.00 34.10 C ATOM 2043 O LEU A 129 6.361 -13.613 -1.991 1.00 45.43 O ATOM 2044 CB LEU A 129 2.989 -14.216 -2.088 1.00 72.22 C ATOM 2045 CG LEU A 129 3.289 -14.773 -3.484 1.00 24.34 C ATOM 2046 CD1 LEU A 129 3.685 -16.242 -3.402 1.00 72.21 C ATOM 2047 CD2 LEU A 129 2.086 -14.581 -4.406 1.00 3.31 C ATOM 0 H LEU A 129 2.665 -13.760 0.286 1.00 32.23 H new ATOM 0 HA LEU A 129 4.631 -15.168 -1.042 1.00 13.05 H new ATOM 0 HB2 LEU A 129 2.193 -14.813 -1.643 1.00 72.22 H new ATOM 0 HB3 LEU A 129 2.603 -13.202 -2.198 1.00 72.22 H new ATOM 0 HG LEU A 129 4.130 -14.221 -3.904 1.00 24.34 H new ATOM 0 HD11 LEU A 129 3.894 -16.619 -4.403 1.00 72.21 H new ATOM 0 HD12 LEU A 129 4.576 -16.345 -2.782 1.00 72.21 H new ATOM 0 HD13 LEU A 129 2.869 -16.815 -2.962 1.00 72.21 H new ATOM 0 HD21 LEU A 129 2.316 -14.982 -5.393 1.00 3.31 H new ATOM 0 HD22 LEU A 129 1.224 -15.105 -3.993 1.00 3.31 H new ATOM 0 HD23 LEU A 129 1.858 -13.518 -4.490 1.00 3.31 H new ATOM 2059 N VAL A 130 4.935 -11.916 -1.601 1.00 34.24 N ATOM 2060 CA VAL A 130 5.874 -10.864 -2.013 1.00 4.22 C ATOM 2061 C VAL A 130 6.938 -10.602 -0.926 1.00 24.32 C ATOM 2062 O VAL A 130 8.104 -10.333 -1.222 1.00 32.32 O ATOM 2063 CB VAL A 130 5.103 -9.550 -2.315 1.00 32.34 C ATOM 2064 CG1 VAL A 130 6.051 -8.420 -2.711 1.00 3.20 C ATOM 2065 CG2 VAL A 130 4.056 -9.788 -3.404 1.00 12.15 C ATOM 0 H VAL A 130 4.024 -11.566 -1.303 1.00 34.24 H new ATOM 0 HA VAL A 130 6.383 -11.206 -2.914 1.00 4.22 H new ATOM 0 HB VAL A 130 4.594 -9.242 -1.401 1.00 32.34 H new ATOM 0 HG11 VAL A 130 5.476 -7.517 -2.915 1.00 3.20 H new ATOM 0 HG12 VAL A 130 6.750 -8.229 -1.897 1.00 3.20 H new ATOM 0 HG13 VAL A 130 6.605 -8.706 -3.605 1.00 3.20 H new ATOM 0 HG21 VAL A 130 3.523 -8.859 -3.606 1.00 12.15 H new ATOM 0 HG22 VAL A 130 4.549 -10.129 -4.315 1.00 12.15 H new ATOM 0 HG23 VAL A 130 3.349 -10.547 -3.069 1.00 12.15 H new ATOM 2075 N ARG A 131 6.517 -10.730 0.326 1.00 65.12 N ATOM 2076 CA ARG A 131 7.341 -10.414 1.504 1.00 61.03 C ATOM 2077 C ARG A 131 8.646 -11.230 1.558 1.00 4.53 C ATOM 2078 O ARG A 131 9.671 -10.742 2.039 1.00 20.15 O ATOM 2079 CB ARG A 131 6.494 -10.678 2.755 1.00 72.54 C ATOM 2080 CG ARG A 131 7.063 -10.174 4.074 1.00 55.43 C ATOM 2081 CD ARG A 131 6.014 -10.303 5.177 1.00 65.30 C ATOM 2082 NE ARG A 131 6.493 -9.845 6.474 1.00 25.34 N ATOM 2083 CZ ARG A 131 5.714 -9.408 7.426 1.00 11.02 C ATOM 2084 NH1 ARG A 131 4.437 -9.275 7.230 1.00 32.34 N ATOM 2085 NH2 ARG A 131 6.223 -9.087 8.572 1.00 4.01 N ATOM 0 H ARG A 131 5.582 -11.060 0.564 1.00 65.12 H new ATOM 0 HA ARG A 131 7.643 -9.368 1.446 1.00 61.03 H new ATOM 0 HB2 ARG A 131 5.515 -10.221 2.608 1.00 72.54 H new ATOM 0 HB3 ARG A 131 6.335 -11.753 2.840 1.00 72.54 H new ATOM 0 HG2 ARG A 131 7.953 -10.745 4.338 1.00 55.43 H new ATOM 0 HG3 ARG A 131 7.371 -9.133 3.973 1.00 55.43 H new ATOM 0 HD2 ARG A 131 5.130 -9.729 4.899 1.00 65.30 H new ATOM 0 HD3 ARG A 131 5.705 -11.345 5.257 1.00 65.30 H new ATOM 0 HE ARG A 131 7.498 -9.867 6.649 1.00 25.34 H new ATOM 0 HH11 ARG A 131 4.033 -9.513 6.324 1.00 32.34 H new ATOM 0 HH12 ARG A 131 3.839 -8.933 7.982 1.00 32.34 H new ATOM 0 HH21 ARG A 131 7.227 -9.176 8.727 1.00 4.01 H new ATOM 0 HH22 ARG A 131 5.620 -8.745 9.320 1.00 4.01 H new ATOM 2099 N THR A 132 8.609 -12.472 1.072 1.00 30.04 N ATOM 2100 CA THR A 132 9.792 -13.351 1.124 1.00 45.50 C ATOM 2101 C THR A 132 10.333 -13.754 -0.267 1.00 25.12 C ATOM 2102 O THR A 132 11.448 -14.269 -0.368 1.00 35.03 O ATOM 2103 CB THR A 132 9.530 -14.624 1.984 1.00 15.04 C ATOM 2104 OG1 THR A 132 10.446 -15.673 1.636 1.00 10.30 O ATOM 2105 CG2 THR A 132 8.101 -15.131 1.838 1.00 51.34 C ATOM 0 H THR A 132 7.786 -12.894 0.642 1.00 30.04 H new ATOM 0 HA THR A 132 10.566 -12.750 1.602 1.00 45.50 H new ATOM 0 HB THR A 132 9.684 -14.336 3.024 1.00 15.04 H new ATOM 0 HG1 THR A 132 10.265 -16.462 2.188 1.00 10.30 H new ATOM 0 HG21 THR A 132 7.965 -16.019 2.455 1.00 51.34 H new ATOM 0 HG22 THR A 132 7.405 -14.356 2.159 1.00 51.34 H new ATOM 0 HG23 THR A 132 7.909 -15.381 0.795 1.00 51.34 H new ATOM 2113 N LYS A 133 9.564 -13.546 -1.344 1.00 1.44 N ATOM 2114 CA LYS A 133 10.088 -13.814 -2.703 1.00 14.52 C ATOM 2115 C LYS A 133 9.467 -12.916 -3.790 1.00 22.25 C ATOM 2116 O LYS A 133 9.068 -13.398 -4.852 1.00 11.11 O ATOM 2117 CB LYS A 133 9.946 -15.302 -3.097 1.00 71.25 C ATOM 2118 CG LYS A 133 8.565 -15.917 -2.876 1.00 50.35 C ATOM 2119 CD LYS A 133 8.318 -16.316 -1.420 1.00 33.14 C ATOM 2120 CE LYS A 133 9.255 -17.429 -0.934 1.00 13.23 C ATOM 2121 NZ LYS A 133 10.644 -16.950 -0.678 1.00 13.53 N ATOM 0 H LYS A 133 8.604 -13.203 -1.312 1.00 1.44 H new ATOM 0 HA LYS A 133 11.148 -13.566 -2.650 1.00 14.52 H new ATOM 0 HB2 LYS A 133 10.205 -15.406 -4.151 1.00 71.25 H new ATOM 0 HB3 LYS A 133 10.676 -15.880 -2.530 1.00 71.25 H new ATOM 0 HG2 LYS A 133 7.801 -15.204 -3.187 1.00 50.35 H new ATOM 0 HG3 LYS A 133 8.458 -16.796 -3.512 1.00 50.35 H new ATOM 0 HD2 LYS A 133 8.443 -15.440 -0.783 1.00 33.14 H new ATOM 0 HD3 LYS A 133 7.285 -16.645 -1.310 1.00 33.14 H new ATOM 0 HE2 LYS A 133 8.851 -17.862 -0.019 1.00 13.23 H new ATOM 0 HE3 LYS A 133 9.282 -18.225 -1.679 1.00 13.23 H new ATOM 0 HZ1 LYS A 133 11.324 -17.670 -0.996 1.00 13.53 H new ATOM 0 HZ2 LYS A 133 10.808 -16.065 -1.199 1.00 13.53 H new ATOM 0 HZ3 LYS A 133 10.771 -16.780 0.340 1.00 13.53 H new ATOM 2135 N ARG A 134 9.434 -11.606 -3.540 1.00 71.14 N ATOM 2136 CA ARG A 134 8.972 -10.629 -4.542 1.00 3.31 C ATOM 2137 C ARG A 134 9.685 -10.798 -5.895 1.00 4.42 C ATOM 2138 O ARG A 134 9.048 -11.043 -6.919 1.00 61.50 O ATOM 2139 CB ARG A 134 9.200 -9.200 -4.029 1.00 22.23 C ATOM 2140 CG ARG A 134 9.009 -8.123 -5.096 1.00 4.11 C ATOM 2141 CD ARG A 134 9.185 -6.714 -4.531 1.00 61.31 C ATOM 2142 NE ARG A 134 10.490 -6.538 -3.895 1.00 74.11 N ATOM 2143 CZ ARG A 134 11.627 -6.508 -4.541 1.00 61.04 C ATOM 2144 NH1 ARG A 134 11.659 -6.590 -5.832 1.00 3.35 N ATOM 2145 NH2 ARG A 134 12.735 -6.384 -3.891 1.00 34.13 N ATOM 0 H ARG A 134 9.721 -11.191 -2.653 1.00 71.14 H new ATOM 0 HA ARG A 134 7.908 -10.811 -4.697 1.00 3.31 H new ATOM 0 HB2 ARG A 134 8.514 -9.007 -3.204 1.00 22.23 H new ATOM 0 HB3 ARG A 134 10.211 -9.125 -3.628 1.00 22.23 H new ATOM 0 HG2 ARG A 134 9.725 -8.282 -5.902 1.00 4.11 H new ATOM 0 HG3 ARG A 134 8.014 -8.217 -5.531 1.00 4.11 H new ATOM 0 HD2 ARG A 134 9.071 -5.985 -5.333 1.00 61.31 H new ATOM 0 HD3 ARG A 134 8.398 -6.514 -3.804 1.00 61.31 H new ATOM 0 HE ARG A 134 10.515 -6.432 -2.881 1.00 74.11 H new ATOM 0 HH11 ARG A 134 10.790 -6.679 -6.359 1.00 3.35 H new ATOM 0 HH12 ARG A 134 12.553 -6.565 -6.323 1.00 3.35 H new ATOM 0 HH21 ARG A 134 12.724 -6.309 -2.874 1.00 34.13 H new ATOM 0 HH22 ARG A 134 13.622 -6.361 -4.394 1.00 34.13 H new ATOM 2159 N ASP A 135 11.006 -10.647 -5.889 1.00 11.42 N ATOM 2160 CA ASP A 135 11.796 -10.723 -7.118 1.00 50.15 C ATOM 2161 C ASP A 135 11.627 -12.078 -7.828 1.00 33.13 C ATOM 2162 O ASP A 135 11.406 -12.127 -9.035 1.00 64.42 O ATOM 2163 CB ASP A 135 13.272 -10.477 -6.810 1.00 1.11 C ATOM 2164 CG ASP A 135 13.515 -9.119 -6.177 1.00 44.11 C ATOM 2165 OD1 ASP A 135 13.620 -8.118 -6.921 1.00 10.14 O ATOM 2166 OD2 ASP A 135 13.593 -9.049 -4.933 1.00 53.03 O ATOM 0 H ASP A 135 11.554 -10.471 -5.047 1.00 11.42 H new ATOM 0 HA ASP A 135 11.429 -9.949 -7.791 1.00 50.15 H new ATOM 0 HB2 ASP A 135 13.635 -11.257 -6.140 1.00 1.11 H new ATOM 0 HB3 ASP A 135 13.850 -10.554 -7.731 1.00 1.11 H new ATOM 2171 N TRP A 136 11.728 -13.173 -7.074 1.00 73.25 N ATOM 2172 CA TRP A 136 11.591 -14.527 -7.641 1.00 74.33 C ATOM 2173 C TRP A 136 10.286 -14.685 -8.437 1.00 52.13 C ATOM 2174 O TRP A 136 10.264 -15.327 -9.491 1.00 61.15 O ATOM 2175 CB TRP A 136 11.652 -15.581 -6.529 1.00 4.24 C ATOM 2176 CG TRP A 136 12.982 -15.634 -5.832 1.00 41.43 C ATOM 2177 CD1 TRP A 136 13.340 -14.975 -4.691 1.00 52.21 C ATOM 2178 CD2 TRP A 136 14.133 -16.388 -6.236 1.00 45.31 C ATOM 2179 NE1 TRP A 136 14.640 -15.274 -4.363 1.00 51.52 N ATOM 2180 CE2 TRP A 136 15.149 -16.138 -5.296 1.00 24.34 C ATOM 2181 CE3 TRP A 136 14.401 -17.251 -7.303 1.00 11.23 C ATOM 2182 CZ2 TRP A 136 16.412 -16.721 -5.390 1.00 72.41 C ATOM 2183 CZ3 TRP A 136 15.654 -17.827 -7.397 1.00 1.21 C ATOM 2184 CH2 TRP A 136 16.646 -17.560 -6.445 1.00 74.23 C ATOM 0 H TRP A 136 11.904 -13.155 -6.069 1.00 73.25 H new ATOM 0 HA TRP A 136 12.423 -14.676 -8.329 1.00 74.33 H new ATOM 0 HB2 TRP A 136 10.874 -15.371 -5.796 1.00 4.24 H new ATOM 0 HB3 TRP A 136 11.433 -16.561 -6.954 1.00 4.24 H new ATOM 0 HD1 TRP A 136 12.696 -14.315 -4.129 1.00 52.21 H new ATOM 0 HE1 TRP A 136 15.145 -14.911 -3.555 1.00 51.52 H new ATOM 0 HE3 TRP A 136 13.642 -17.464 -8.041 1.00 11.23 H new ATOM 0 HZ2 TRP A 136 17.178 -16.518 -4.656 1.00 72.41 H new ATOM 0 HZ3 TRP A 136 15.872 -18.494 -8.218 1.00 1.21 H new ATOM 0 HH2 TRP A 136 17.615 -18.026 -6.546 1.00 74.23 H new ATOM 2195 N LEU A 137 9.211 -14.089 -7.928 1.00 44.13 N ATOM 2196 CA LEU A 137 7.908 -14.117 -8.602 1.00 72.01 C ATOM 2197 C LEU A 137 7.994 -13.611 -10.055 1.00 23.02 C ATOM 2198 O LEU A 137 7.522 -14.274 -10.975 1.00 54.03 O ATOM 2199 CB LEU A 137 6.893 -13.290 -7.804 1.00 62.32 C ATOM 2200 CG LEU A 137 6.391 -13.948 -6.507 1.00 65.14 C ATOM 2201 CD1 LEU A 137 5.728 -12.916 -5.602 1.00 62.22 C ATOM 2202 CD2 LEU A 137 5.427 -15.094 -6.824 1.00 74.35 C ATOM 0 H LEU A 137 9.213 -13.577 -7.046 1.00 44.13 H new ATOM 0 HA LEU A 137 7.578 -15.155 -8.645 1.00 72.01 H new ATOM 0 HB2 LEU A 137 7.346 -12.330 -7.555 1.00 62.32 H new ATOM 0 HB3 LEU A 137 6.035 -13.081 -8.443 1.00 62.32 H new ATOM 0 HG LEU A 137 7.249 -14.362 -5.977 1.00 65.14 H new ATOM 0 HD11 LEU A 137 5.380 -13.402 -4.690 1.00 62.22 H new ATOM 0 HD12 LEU A 137 6.449 -12.139 -5.347 1.00 62.22 H new ATOM 0 HD13 LEU A 137 4.880 -12.468 -6.121 1.00 62.22 H new ATOM 0 HD21 LEU A 137 5.082 -15.547 -5.895 1.00 74.35 H new ATOM 0 HD22 LEU A 137 4.572 -14.707 -7.378 1.00 74.35 H new ATOM 0 HD23 LEU A 137 5.940 -15.845 -7.426 1.00 74.35 H new ATOM 2214 N VAL A 138 8.589 -12.436 -10.265 1.00 1.14 N ATOM 2215 CA VAL A 138 8.738 -11.892 -11.625 1.00 31.53 C ATOM 2216 C VAL A 138 9.904 -12.550 -12.393 1.00 50.53 C ATOM 2217 O VAL A 138 9.760 -12.901 -13.565 1.00 41.21 O ATOM 2218 CB VAL A 138 8.909 -10.349 -11.623 1.00 15.51 C ATOM 2219 CG1 VAL A 138 10.153 -9.922 -10.843 1.00 63.12 C ATOM 2220 CG2 VAL A 138 8.945 -9.815 -13.057 1.00 13.24 C ATOM 0 H VAL A 138 8.972 -11.846 -9.526 1.00 1.14 H new ATOM 0 HA VAL A 138 7.810 -12.133 -12.144 1.00 31.53 H new ATOM 0 HB VAL A 138 8.047 -9.915 -11.116 1.00 15.51 H new ATOM 0 HG11 VAL A 138 10.240 -8.836 -10.863 1.00 63.12 H new ATOM 0 HG12 VAL A 138 10.069 -10.260 -9.810 1.00 63.12 H new ATOM 0 HG13 VAL A 138 11.038 -10.366 -11.299 1.00 63.12 H new ATOM 0 HG21 VAL A 138 9.065 -8.732 -13.039 1.00 13.24 H new ATOM 0 HG22 VAL A 138 9.782 -10.264 -13.592 1.00 13.24 H new ATOM 0 HG23 VAL A 138 8.013 -10.068 -13.563 1.00 13.24 H new ATOM 2230 N LYS A 139 11.048 -12.729 -11.724 1.00 11.32 N ATOM 2231 CA LYS A 139 12.238 -13.334 -12.347 1.00 31.12 C ATOM 2232 C LYS A 139 11.918 -14.699 -12.970 1.00 53.02 C ATOM 2233 O LYS A 139 12.215 -14.952 -14.138 1.00 70.02 O ATOM 2234 CB LYS A 139 13.361 -13.508 -11.310 1.00 11.40 C ATOM 2235 CG LYS A 139 13.944 -12.203 -10.779 1.00 24.52 C ATOM 2236 CD LYS A 139 14.682 -11.421 -11.860 1.00 45.25 C ATOM 2237 CE LYS A 139 15.350 -10.173 -11.289 1.00 12.40 C ATOM 2238 NZ LYS A 139 16.058 -9.391 -12.334 1.00 24.33 N ATOM 0 H LYS A 139 11.179 -12.464 -10.748 1.00 11.32 H new ATOM 0 HA LYS A 139 12.565 -12.657 -13.136 1.00 31.12 H new ATOM 0 HB2 LYS A 139 12.976 -14.086 -10.470 1.00 11.40 H new ATOM 0 HB3 LYS A 139 14.164 -14.093 -11.758 1.00 11.40 H new ATOM 0 HG2 LYS A 139 13.142 -11.588 -10.371 1.00 24.52 H new ATOM 0 HG3 LYS A 139 14.628 -12.420 -9.958 1.00 24.52 H new ATOM 0 HD2 LYS A 139 15.435 -12.059 -12.322 1.00 45.25 H new ATOM 0 HD3 LYS A 139 13.982 -11.134 -12.645 1.00 45.25 H new ATOM 0 HE2 LYS A 139 14.597 -9.544 -10.814 1.00 12.40 H new ATOM 0 HE3 LYS A 139 16.058 -10.464 -10.513 1.00 12.40 H new ATOM 0 HZ1 LYS A 139 16.497 -8.553 -11.903 1.00 24.33 H new ATOM 0 HZ2 LYS A 139 16.795 -9.982 -12.770 1.00 24.33 H new ATOM 0 HZ3 LYS A 139 15.379 -9.090 -13.062 1.00 24.33 H new ATOM 2252 N GLN A 140 11.321 -15.579 -12.175 1.00 44.33 N ATOM 2253 CA GLN A 140 10.972 -16.925 -12.636 1.00 4.04 C ATOM 2254 C GLN A 140 9.530 -16.983 -13.156 1.00 44.34 C ATOM 2255 O GLN A 140 9.030 -18.057 -13.501 1.00 72.44 O ATOM 2256 CB GLN A 140 11.174 -17.935 -11.498 1.00 23.11 C ATOM 2257 CG GLN A 140 12.583 -17.927 -10.905 1.00 40.22 C ATOM 2258 CD GLN A 140 13.664 -18.222 -11.934 1.00 12.50 C ATOM 2259 OE1 GLN A 140 14.028 -19.373 -12.158 1.00 3.10 O ATOM 2260 NE2 GLN A 140 14.189 -17.184 -12.561 1.00 13.54 N ATOM 0 H GLN A 140 11.067 -15.388 -11.206 1.00 44.33 H new ATOM 0 HA GLN A 140 11.631 -17.183 -13.465 1.00 4.04 H new ATOM 0 HB2 GLN A 140 10.456 -17.723 -10.706 1.00 23.11 H new ATOM 0 HB3 GLN A 140 10.953 -18.935 -11.870 1.00 23.11 H new ATOM 0 HG2 GLN A 140 12.775 -16.954 -10.453 1.00 40.22 H new ATOM 0 HG3 GLN A 140 12.639 -18.666 -10.106 1.00 40.22 H new ATOM 0 HE21 GLN A 140 13.862 -16.241 -12.349 1.00 13.54 H new ATOM 0 HE22 GLN A 140 14.921 -17.325 -13.257 1.00 13.54 H new ATOM 2269 N ARG A 141 8.870 -15.819 -13.211 1.00 1.13 N ATOM 2270 CA ARG A 141 7.520 -15.708 -13.777 1.00 72.14 C ATOM 2271 C ARG A 141 6.511 -16.599 -13.035 1.00 2.40 C ATOM 2272 O ARG A 141 5.605 -17.147 -13.649 1.00 51.05 O ATOM 2273 CB ARG A 141 7.572 -16.077 -15.264 1.00 31.40 C ATOM 2274 CG ARG A 141 8.468 -15.157 -16.087 1.00 53.20 C ATOM 2275 CD ARG A 141 7.790 -13.828 -16.391 1.00 63.33 C ATOM 2276 NE ARG A 141 8.598 -12.992 -17.272 1.00 51.52 N ATOM 2277 CZ ARG A 141 8.305 -11.763 -17.590 1.00 65.03 C ATOM 2278 NH1 ARG A 141 7.210 -11.213 -17.171 1.00 73.31 N ATOM 2279 NH2 ARG A 141 9.092 -11.096 -18.365 1.00 23.13 N ATOM 0 H ARG A 141 9.252 -14.937 -12.869 1.00 1.13 H new ATOM 0 HA ARG A 141 7.179 -14.679 -13.660 1.00 72.14 H new ATOM 0 HB2 ARG A 141 7.928 -17.102 -15.364 1.00 31.40 H new ATOM 0 HB3 ARG A 141 6.562 -16.049 -15.673 1.00 31.40 H new ATOM 0 HG2 ARG A 141 9.397 -14.975 -15.546 1.00 53.20 H new ATOM 0 HG3 ARG A 141 8.735 -15.651 -17.021 1.00 53.20 H new ATOM 0 HD2 ARG A 141 6.821 -14.013 -16.855 1.00 63.33 H new ATOM 0 HD3 ARG A 141 7.601 -13.296 -15.459 1.00 63.33 H new ATOM 0 HE ARG A 141 9.448 -13.396 -17.665 1.00 51.52 H new ATOM 0 HH11 ARG A 141 6.565 -11.743 -16.585 1.00 73.31 H new ATOM 0 HH12 ARG A 141 6.993 -10.250 -17.427 1.00 73.31 H new ATOM 0 HH21 ARG A 141 9.941 -11.531 -18.727 1.00 23.13 H new ATOM 0 HH22 ARG A 141 8.865 -10.134 -18.616 1.00 23.13 H new ATOM 2293 N GLY A 142 6.658 -16.667 -11.706 1.00 54.35 N ATOM 2294 CA GLY A 142 5.877 -17.568 -10.844 1.00 21.24 C ATOM 2295 C GLY A 142 4.491 -17.963 -11.358 1.00 53.42 C ATOM 2296 O GLY A 142 4.155 -19.145 -11.374 1.00 31.52 O ATOM 0 H GLY A 142 7.328 -16.094 -11.193 1.00 54.35 H new ATOM 0 HA2 GLY A 142 6.456 -18.478 -10.686 1.00 21.24 H new ATOM 0 HA3 GLY A 142 5.758 -17.093 -9.870 1.00 21.24 H new ATOM 2300 N TRP A 143 3.685 -16.989 -11.779 1.00 41.00 N ATOM 2301 CA TRP A 143 2.328 -17.276 -12.267 1.00 54.41 C ATOM 2302 C TRP A 143 2.353 -18.063 -13.591 1.00 61.21 C ATOM 2303 O TRP A 143 1.711 -19.108 -13.712 1.00 13.40 O ATOM 2304 CB TRP A 143 1.525 -15.973 -12.409 1.00 54.05 C ATOM 2305 CG TRP A 143 1.404 -15.213 -11.114 1.00 61.41 C ATOM 2306 CD1 TRP A 143 1.617 -13.874 -10.914 1.00 71.23 C ATOM 2307 CD2 TRP A 143 1.063 -15.757 -9.830 1.00 2.24 C ATOM 2308 NE1 TRP A 143 1.419 -13.559 -9.589 1.00 42.41 N ATOM 2309 CE2 TRP A 143 1.083 -14.696 -8.908 1.00 61.33 C ATOM 2310 CE3 TRP A 143 0.742 -17.039 -9.372 1.00 21.10 C ATOM 2311 CZ2 TRP A 143 0.796 -14.877 -7.560 1.00 52.32 C ATOM 2312 CZ3 TRP A 143 0.458 -17.216 -8.031 1.00 60.41 C ATOM 2313 CH2 TRP A 143 0.487 -16.139 -7.139 1.00 33.33 C ATOM 0 H TRP A 143 3.941 -16.002 -11.794 1.00 41.00 H new ATOM 0 HA TRP A 143 1.833 -17.908 -11.530 1.00 54.41 H new ATOM 0 HB2 TRP A 143 2.003 -15.337 -13.154 1.00 54.05 H new ATOM 0 HB3 TRP A 143 0.528 -16.206 -12.782 1.00 54.05 H new ATOM 0 HD1 TRP A 143 1.899 -13.170 -11.683 1.00 71.23 H new ATOM 0 HE1 TRP A 143 1.508 -12.628 -9.181 1.00 42.41 H new ATOM 0 HE3 TRP A 143 0.717 -17.876 -10.054 1.00 21.10 H new ATOM 0 HZ2 TRP A 143 0.817 -14.047 -6.869 1.00 52.32 H new ATOM 0 HZ3 TRP A 143 0.210 -18.202 -7.666 1.00 60.41 H new ATOM 0 HH2 TRP A 143 0.261 -16.309 -6.097 1.00 33.33 H new ATOM 2324 N ASP A 144 3.105 -17.572 -14.577 1.00 51.05 N ATOM 2325 CA ASP A 144 3.287 -18.301 -15.840 1.00 64.11 C ATOM 2326 C ASP A 144 4.084 -19.603 -15.620 1.00 24.15 C ATOM 2327 O ASP A 144 3.903 -20.586 -16.342 1.00 53.22 O ATOM 2328 CB ASP A 144 3.995 -17.416 -16.874 1.00 32.35 C ATOM 2329 CG ASP A 144 3.151 -16.228 -17.304 1.00 73.44 C ATOM 2330 OD1 ASP A 144 2.287 -16.395 -18.193 1.00 11.31 O ATOM 2331 OD2 ASP A 144 3.356 -15.117 -16.772 1.00 12.34 O ATOM 0 H ASP A 144 3.596 -16.679 -14.530 1.00 51.05 H new ATOM 0 HA ASP A 144 2.300 -18.565 -16.219 1.00 64.11 H new ATOM 0 HB2 ASP A 144 4.935 -17.056 -16.456 1.00 32.35 H new ATOM 0 HB3 ASP A 144 4.244 -18.015 -17.750 1.00 32.35 H new ATOM 2336 N GLY A 145 4.957 -19.600 -14.608 1.00 21.30 N ATOM 2337 CA GLY A 145 5.728 -20.790 -14.255 1.00 43.14 C ATOM 2338 C GLY A 145 4.849 -21.881 -13.656 1.00 72.41 C ATOM 2339 O GLY A 145 5.040 -23.068 -13.915 1.00 35.40 O ATOM 0 H GLY A 145 5.145 -18.787 -14.021 1.00 21.30 H new ATOM 0 HA2 GLY A 145 6.229 -21.175 -15.143 1.00 43.14 H new ATOM 0 HA3 GLY A 145 6.507 -20.519 -13.542 1.00 43.14 H new ATOM 2343 N PHE A 146 3.880 -21.459 -12.857 1.00 71.33 N ATOM 2344 CA PHE A 146 2.860 -22.351 -12.306 1.00 62.24 C ATOM 2345 C PHE A 146 2.049 -23.018 -13.431 1.00 22.04 C ATOM 2346 O PHE A 146 1.757 -24.216 -13.384 1.00 34.51 O ATOM 2347 CB PHE A 146 1.951 -21.532 -11.370 1.00 32.22 C ATOM 2348 CG PHE A 146 0.612 -22.154 -11.064 1.00 60.51 C ATOM 2349 CD1 PHE A 146 0.520 -23.331 -10.338 1.00 13.34 C ATOM 2350 CD2 PHE A 146 -0.559 -21.548 -11.501 1.00 44.32 C ATOM 2351 CE1 PHE A 146 -0.710 -23.891 -10.059 1.00 62.12 C ATOM 2352 CE2 PHE A 146 -1.788 -22.106 -11.222 1.00 53.10 C ATOM 2353 CZ PHE A 146 -1.864 -23.278 -10.500 1.00 42.10 C ATOM 0 H PHE A 146 3.775 -20.486 -12.569 1.00 71.33 H new ATOM 0 HA PHE A 146 3.335 -23.152 -11.740 1.00 62.24 H new ATOM 0 HB2 PHE A 146 2.479 -21.367 -10.431 1.00 32.22 H new ATOM 0 HB3 PHE A 146 1.784 -20.553 -11.818 1.00 32.22 H new ATOM 0 HD1 PHE A 146 1.420 -23.815 -9.987 1.00 13.34 H new ATOM 0 HD2 PHE A 146 -0.506 -20.629 -12.066 1.00 44.32 H new ATOM 0 HE1 PHE A 146 -0.769 -24.810 -9.495 1.00 62.12 H new ATOM 0 HE2 PHE A 146 -2.691 -21.625 -11.569 1.00 53.10 H new ATOM 0 HZ PHE A 146 -2.826 -23.716 -10.280 1.00 42.10 H new ATOM 2363 N VAL A 147 1.715 -22.235 -14.453 1.00 54.42 N ATOM 2364 CA VAL A 147 0.929 -22.726 -15.589 1.00 14.04 C ATOM 2365 C VAL A 147 1.734 -23.698 -16.484 1.00 1.41 C ATOM 2366 O VAL A 147 1.187 -24.689 -16.982 1.00 74.42 O ATOM 2367 CB VAL A 147 0.390 -21.538 -16.432 1.00 24.14 C ATOM 2368 CG1 VAL A 147 -0.441 -22.026 -17.617 1.00 3.14 C ATOM 2369 CG2 VAL A 147 -0.432 -20.592 -15.555 1.00 4.33 C ATOM 0 H VAL A 147 1.977 -21.251 -14.521 1.00 54.42 H new ATOM 0 HA VAL A 147 0.088 -23.285 -15.178 1.00 14.04 H new ATOM 0 HB VAL A 147 1.247 -20.994 -16.829 1.00 24.14 H new ATOM 0 HG11 VAL A 147 -0.803 -21.169 -18.185 1.00 3.14 H new ATOM 0 HG12 VAL A 147 0.176 -22.654 -18.260 1.00 3.14 H new ATOM 0 HG13 VAL A 147 -1.290 -22.604 -17.252 1.00 3.14 H new ATOM 0 HG21 VAL A 147 -0.803 -19.765 -16.160 1.00 4.33 H new ATOM 0 HG22 VAL A 147 -1.275 -21.134 -15.126 1.00 4.33 H new ATOM 0 HG23 VAL A 147 0.195 -20.202 -14.753 1.00 4.33 H new ATOM 2379 N GLU A 148 3.029 -23.419 -16.685 1.00 14.21 N ATOM 2380 CA GLU A 148 3.898 -24.302 -17.487 1.00 63.22 C ATOM 2381 C GLU A 148 4.256 -25.592 -16.724 1.00 12.34 C ATOM 2382 O GLU A 148 4.285 -26.676 -17.305 1.00 71.54 O ATOM 2383 CB GLU A 148 5.191 -23.577 -17.912 1.00 13.14 C ATOM 2384 CG GLU A 148 6.119 -23.228 -16.751 1.00 13.13 C ATOM 2385 CD GLU A 148 7.421 -22.562 -17.182 1.00 11.20 C ATOM 2386 OE1 GLU A 148 7.378 -21.402 -17.652 1.00 13.44 O ATOM 2387 OE2 GLU A 148 8.496 -23.180 -17.025 1.00 51.20 O ATOM 0 H GLU A 148 3.499 -22.596 -16.308 1.00 14.21 H new ATOM 0 HA GLU A 148 3.334 -24.573 -18.380 1.00 63.22 H new ATOM 0 HB2 GLU A 148 5.732 -24.206 -18.619 1.00 13.14 H new ATOM 0 HB3 GLU A 148 4.925 -22.661 -18.439 1.00 13.14 H new ATOM 0 HG2 GLU A 148 5.593 -22.565 -16.064 1.00 13.13 H new ATOM 0 HG3 GLU A 148 6.353 -24.138 -16.199 1.00 13.13 H new ATOM 2394 N PHE A 149 4.523 -25.467 -15.418 1.00 60.34 N ATOM 2395 CA PHE A 149 4.909 -26.619 -14.587 1.00 34.34 C ATOM 2396 C PHE A 149 3.834 -27.714 -14.611 1.00 43.23 C ATOM 2397 O PHE A 149 4.135 -28.896 -14.803 1.00 14.12 O ATOM 2398 CB PHE A 149 5.171 -26.175 -13.139 1.00 22.04 C ATOM 2399 CG PHE A 149 5.626 -27.295 -12.231 1.00 1.51 C ATOM 2400 CD1 PHE A 149 6.960 -27.677 -12.193 1.00 2.21 C ATOM 2401 CD2 PHE A 149 4.719 -27.970 -11.422 1.00 13.05 C ATOM 2402 CE1 PHE A 149 7.378 -28.705 -11.369 1.00 11.43 C ATOM 2403 CE2 PHE A 149 5.134 -28.999 -10.599 1.00 62.41 C ATOM 2404 CZ PHE A 149 6.465 -29.367 -10.572 1.00 4.12 C ATOM 0 H PHE A 149 4.479 -24.582 -14.913 1.00 60.34 H new ATOM 0 HA PHE A 149 5.826 -27.033 -15.006 1.00 34.34 H new ATOM 0 HB2 PHE A 149 5.928 -25.391 -13.141 1.00 22.04 H new ATOM 0 HB3 PHE A 149 4.259 -25.737 -12.732 1.00 22.04 H new ATOM 0 HD1 PHE A 149 7.680 -27.165 -12.815 1.00 2.21 H new ATOM 0 HD2 PHE A 149 3.677 -27.686 -11.437 1.00 13.05 H new ATOM 0 HE1 PHE A 149 8.419 -28.991 -11.348 1.00 11.43 H new ATOM 0 HE2 PHE A 149 4.418 -29.516 -9.977 1.00 62.41 H new ATOM 0 HZ PHE A 149 6.791 -30.171 -9.929 1.00 4.12 H new ATOM 2414 N PHE A 150 2.579 -27.318 -14.402 1.00 51.22 N ATOM 2415 CA PHE A 150 1.448 -28.251 -14.484 1.00 34.45 C ATOM 2416 C PHE A 150 1.028 -28.486 -15.943 1.00 64.31 C ATOM 2417 O PHE A 150 0.212 -29.363 -16.230 1.00 3.02 O ATOM 2418 CB PHE A 150 0.264 -27.735 -13.653 1.00 45.13 C ATOM 2419 CG PHE A 150 0.520 -27.779 -12.166 1.00 60.42 C ATOM 2420 CD1 PHE A 150 1.215 -26.759 -11.534 1.00 45.23 C ATOM 2421 CD2 PHE A 150 0.071 -28.848 -11.402 1.00 73.01 C ATOM 2422 CE1 PHE A 150 1.458 -26.804 -10.175 1.00 1.14 C ATOM 2423 CE2 PHE A 150 0.313 -28.897 -10.042 1.00 52.30 C ATOM 2424 CZ PHE A 150 1.005 -27.873 -9.428 1.00 34.33 C ATOM 0 H PHE A 150 2.316 -26.359 -14.175 1.00 51.22 H new ATOM 0 HA PHE A 150 1.768 -29.208 -14.072 1.00 34.45 H new ATOM 0 HB2 PHE A 150 0.041 -26.709 -13.947 1.00 45.13 H new ATOM 0 HB3 PHE A 150 -0.620 -28.331 -13.881 1.00 45.13 H new ATOM 0 HD1 PHE A 150 1.571 -25.919 -12.112 1.00 45.23 H new ATOM 0 HD2 PHE A 150 -0.474 -29.651 -11.876 1.00 73.01 H new ATOM 0 HE1 PHE A 150 2.002 -26.003 -9.697 1.00 1.14 H new ATOM 0 HE2 PHE A 150 -0.039 -29.736 -9.460 1.00 52.30 H new ATOM 0 HZ PHE A 150 1.192 -27.908 -8.365 1.00 34.33 H new ATOM 2434 N HIS A 151 1.600 -27.692 -16.851 1.00 11.32 N ATOM 2435 CA HIS A 151 1.390 -27.845 -18.294 1.00 31.51 C ATOM 2436 C HIS A 151 -0.098 -27.746 -18.679 1.00 44.35 C ATOM 2437 O HIS A 151 -0.695 -28.696 -19.189 1.00 60.54 O ATOM 2438 CB HIS A 151 2.005 -29.173 -18.771 1.00 44.23 C ATOM 2439 CG HIS A 151 2.022 -29.342 -20.261 1.00 43.02 C ATOM 2440 ND1 HIS A 151 2.958 -28.745 -21.079 1.00 24.34 N ATOM 2441 CD2 HIS A 151 1.213 -30.051 -21.082 1.00 72.43 C ATOM 2442 CE1 HIS A 151 2.723 -29.081 -22.329 1.00 3.33 C ATOM 2443 NE2 HIS A 151 1.672 -29.870 -22.361 1.00 21.32 N ATOM 0 H HIS A 151 2.224 -26.923 -16.606 1.00 11.32 H new ATOM 0 HA HIS A 151 1.893 -27.020 -18.798 1.00 31.51 H new ATOM 0 HB2 HIS A 151 3.026 -29.243 -18.397 1.00 44.23 H new ATOM 0 HB3 HIS A 151 1.447 -29.998 -18.329 1.00 44.23 H new ATOM 0 HD2 HIS A 151 0.364 -30.648 -20.785 1.00 72.43 H new ATOM 0 HE1 HIS A 151 3.298 -28.762 -23.186 1.00 3.33 H new ATOM 0 HE2 HIS A 151 1.264 -30.281 -23.201 1.00 21.32 H new ATOM 2452 N VAL A 152 -0.688 -26.580 -18.430 1.00 13.34 N ATOM 2453 CA VAL A 152 -2.083 -26.318 -18.802 1.00 62.32 C ATOM 2454 C VAL A 152 -2.141 -25.501 -20.097 1.00 63.52 C ATOM 2455 O VAL A 152 -2.531 -26.008 -21.147 1.00 24.31 O ATOM 2456 CB VAL A 152 -2.841 -25.572 -17.674 1.00 4.40 C ATOM 2457 CG1 VAL A 152 -4.274 -25.244 -18.097 1.00 61.25 C ATOM 2458 CG2 VAL A 152 -2.830 -26.399 -16.388 1.00 31.43 C ATOM 0 H VAL A 152 -0.223 -25.797 -17.971 1.00 13.34 H new ATOM 0 HA VAL A 152 -2.571 -27.280 -18.959 1.00 62.32 H new ATOM 0 HB VAL A 152 -2.327 -24.630 -17.484 1.00 4.40 H new ATOM 0 HG11 VAL A 152 -4.782 -24.721 -17.287 1.00 61.25 H new ATOM 0 HG12 VAL A 152 -4.256 -24.609 -18.983 1.00 61.25 H new ATOM 0 HG13 VAL A 152 -4.807 -26.167 -18.323 1.00 61.25 H new ATOM 0 HG21 VAL A 152 -3.366 -25.862 -15.605 1.00 31.43 H new ATOM 0 HG22 VAL A 152 -3.316 -27.358 -16.568 1.00 31.43 H new ATOM 0 HG23 VAL A 152 -1.800 -26.567 -16.072 1.00 31.43 H new