USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 951 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 101 GLN : amide:sc= 0.111 K(o=0.22,f=-0.3) USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.11 USER MOD Set 2.1: A 33 MET CE :methyl -165:sc= -0.899 (180deg=-1.49) USER MOD Set 2.2: A 84 GLN : amide:sc= 0.00282 K(o=-0.9,f=-1.5) USER MOD Single : A 1 MET CE :methyl -173:sc= -1.29 (180deg=-1.39) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.334 (180deg=-0.0458) USER MOD Single : A 3 SER OG : rot 180:sc= -0.045 USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0517 F(o=-0.68,f=-0.052) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 1.16 (180deg=0.21) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 158:sc= -1.47 (180deg=-2.49) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 71:sc= 0.0938 USER MOD Single : A 41 ASN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 59 ASN : amide:sc= -0.789 K(o=-0.79,f=-8.9!) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0278) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 106:sc= -0.58 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 152:sc= -0.49 (180deg=-1.18) USER MOD Single : A 90 ASN : amide:sc= -0.858 K(o=-0.86,f=-5.1!) USER MOD Single : A 97 MET CE :methyl -147:sc= -0.5 (180deg=-3.27!) USER MOD Single : A 98 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.43) USER MOD Single : A 105 LYS NZ :NH3+ -127:sc= 0.716 (180deg=-0.372) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-2.6!) USER MOD Single : A 120 LYS NZ :NH3+ 150:sc= 1.11 (180deg=0.52) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -109:sc= 0.0656 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.304 0.307 -0.369 1.00 75.14 N ATOM 2 CA MET A 1 -11.948 -0.009 -0.930 1.00 43.22 C ATOM 3 C MET A 1 -12.019 -0.960 -2.148 1.00 62.05 C ATOM 4 O MET A 1 -12.996 -1.690 -2.319 1.00 43.23 O ATOM 5 CB MET A 1 -11.044 -0.600 0.177 1.00 14.11 C ATOM 6 CG MET A 1 -11.567 -1.904 0.789 1.00 21.03 C ATOM 7 SD MET A 1 -10.663 -2.382 2.273 1.00 64.31 S ATOM 8 CE MET A 1 -8.974 -2.346 1.689 1.00 42.44 C ATOM 0 H1 MET A 1 -13.209 0.600 0.624 1.00 75.14 H new ATOM 0 H2 MET A 1 -13.736 1.078 -0.918 1.00 75.14 H new ATOM 0 H3 MET A 1 -13.908 -0.538 -0.425 1.00 75.14 H new ATOM 0 HA MET A 1 -11.515 0.925 -1.289 1.00 43.22 H new ATOM 0 HB2 MET A 1 -10.052 -0.779 -0.237 1.00 14.11 H new ATOM 0 HB3 MET A 1 -10.930 0.139 0.970 1.00 14.11 H new ATOM 0 HG2 MET A 1 -12.623 -1.789 1.032 1.00 21.03 H new ATOM 0 HG3 MET A 1 -11.495 -2.703 0.051 1.00 21.03 H new ATOM 0 HE1 MET A 1 -8.313 -2.739 2.462 1.00 42.44 H new ATOM 0 HE2 MET A 1 -8.886 -2.957 0.791 1.00 42.44 H new ATOM 0 HE3 MET A 1 -8.691 -1.319 1.458 1.00 42.44 H new ATOM 20 N ARG A 2 -10.952 -0.948 -2.979 1.00 41.45 N ATOM 21 CA ARG A 2 -10.844 -1.787 -4.202 1.00 5.13 C ATOM 22 C ARG A 2 -10.005 -3.065 -3.947 1.00 55.14 C ATOM 23 O ARG A 2 -9.324 -3.191 -2.921 1.00 3.32 O ATOM 24 CB ARG A 2 -10.233 -0.961 -5.386 1.00 2.21 C ATOM 25 CG ARG A 2 -11.244 -0.153 -6.245 1.00 64.40 C ATOM 26 CD ARG A 2 -12.054 0.897 -5.462 1.00 51.15 C ATOM 27 NE ARG A 2 -12.785 1.819 -6.358 1.00 70.40 N ATOM 28 CZ ARG A 2 -14.034 1.696 -6.755 1.00 22.23 C ATOM 29 NH1 ARG A 2 -14.787 0.711 -6.365 1.00 60.54 N ATOM 30 NH2 ARG A 2 -14.535 2.586 -7.546 1.00 3.34 N ATOM 0 H ARG A 2 -10.137 -0.355 -2.823 1.00 41.45 H new ATOM 0 HA ARG A 2 -11.852 -2.100 -4.474 1.00 5.13 H new ATOM 0 HB2 ARG A 2 -9.498 -0.268 -4.978 1.00 2.21 H new ATOM 0 HB3 ARG A 2 -9.696 -1.646 -6.042 1.00 2.21 H new ATOM 0 HG2 ARG A 2 -10.701 0.349 -7.046 1.00 64.40 H new ATOM 0 HG3 ARG A 2 -11.937 -0.849 -6.718 1.00 64.40 H new ATOM 0 HD2 ARG A 2 -12.763 0.392 -4.806 1.00 51.15 H new ATOM 0 HD3 ARG A 2 -11.382 1.470 -4.823 1.00 51.15 H new ATOM 0 HE ARG A 2 -12.271 2.630 -6.702 1.00 70.40 H new ATOM 0 HH11 ARG A 2 -14.414 0.003 -5.732 1.00 60.54 H new ATOM 0 HH12 ARG A 2 -15.751 0.646 -6.692 1.00 60.54 H new ATOM 0 HH21 ARG A 2 -13.964 3.372 -7.856 1.00 3.34 H new ATOM 0 HH22 ARG A 2 -15.502 2.502 -7.861 1.00 3.34 H new ATOM 44 N SER A 3 -10.062 -3.998 -4.916 1.00 15.14 N ATOM 45 CA SER A 3 -9.310 -5.276 -4.875 1.00 23.32 C ATOM 46 C SER A 3 -7.824 -5.085 -5.223 1.00 3.33 C ATOM 47 O SER A 3 -7.461 -4.153 -5.941 1.00 32.40 O ATOM 48 CB SER A 3 -9.924 -6.292 -5.856 1.00 34.53 C ATOM 49 OG SER A 3 -9.165 -7.492 -5.907 1.00 75.34 O ATOM 0 H SER A 3 -10.632 -3.890 -5.755 1.00 15.14 H new ATOM 0 HA SER A 3 -9.379 -5.650 -3.853 1.00 23.32 H new ATOM 0 HB2 SER A 3 -10.946 -6.520 -5.553 1.00 34.53 H new ATOM 0 HB3 SER A 3 -9.977 -5.851 -6.852 1.00 34.53 H new ATOM 0 HG SER A 3 -9.582 -8.116 -6.537 1.00 75.34 H new ATOM 55 N ALA A 4 -6.986 -6.019 -4.742 1.00 11.33 N ATOM 56 CA ALA A 4 -5.529 -6.012 -4.995 1.00 54.42 C ATOM 57 C ALA A 4 -5.205 -6.267 -6.479 1.00 54.32 C ATOM 58 O ALA A 4 -4.240 -5.725 -6.999 1.00 75.22 O ATOM 59 CB ALA A 4 -4.824 -7.053 -4.111 1.00 25.14 C ATOM 0 H ALA A 4 -7.297 -6.802 -4.166 1.00 11.33 H new ATOM 0 HA ALA A 4 -5.159 -5.019 -4.740 1.00 54.42 H new ATOM 0 HB1 ALA A 4 -3.753 -7.034 -4.310 1.00 25.14 H new ATOM 0 HB2 ALA A 4 -5.002 -6.819 -3.061 1.00 25.14 H new ATOM 0 HB3 ALA A 4 -5.217 -8.045 -4.333 1.00 25.14 H new ATOM 65 N THR A 5 -6.028 -7.102 -7.140 1.00 50.04 N ATOM 66 CA THR A 5 -5.866 -7.433 -8.577 1.00 30.01 C ATOM 67 C THR A 5 -6.128 -6.187 -9.454 1.00 51.42 C ATOM 68 O THR A 5 -5.389 -5.898 -10.402 1.00 12.02 O ATOM 69 CB THR A 5 -6.849 -8.583 -9.011 1.00 75.11 C ATOM 70 OG1 THR A 5 -6.956 -9.564 -7.967 1.00 55.41 O ATOM 71 CG2 THR A 5 -6.368 -9.282 -10.293 1.00 54.43 C ATOM 0 H THR A 5 -6.822 -7.567 -6.700 1.00 50.04 H new ATOM 0 HA THR A 5 -4.840 -7.772 -8.720 1.00 30.01 H new ATOM 0 HB THR A 5 -7.820 -8.125 -9.201 1.00 75.11 H new ATOM 0 HG1 THR A 5 -7.571 -10.274 -8.247 1.00 55.41 H new ATOM 0 HG21 THR A 5 -7.071 -10.070 -10.563 1.00 54.43 H new ATOM 0 HG22 THR A 5 -6.309 -8.555 -11.103 1.00 54.43 H new ATOM 0 HG23 THR A 5 -5.383 -9.717 -10.123 1.00 54.43 H new ATOM 79 N ASP A 6 -7.205 -5.474 -9.088 1.00 52.22 N ATOM 80 CA ASP A 6 -7.654 -4.220 -9.726 1.00 74.44 C ATOM 81 C ASP A 6 -6.565 -3.106 -9.653 1.00 52.24 C ATOM 82 O ASP A 6 -6.224 -2.480 -10.669 1.00 14.02 O ATOM 83 CB ASP A 6 -8.971 -3.789 -9.025 1.00 73.03 C ATOM 84 CG ASP A 6 -9.554 -2.471 -9.546 1.00 41.05 C ATOM 85 OD1 ASP A 6 -10.130 -2.460 -10.653 1.00 43.14 O ATOM 86 OD2 ASP A 6 -9.445 -1.444 -8.846 1.00 72.30 O ATOM 0 H ASP A 6 -7.808 -5.761 -8.317 1.00 52.22 H new ATOM 0 HA ASP A 6 -7.830 -4.383 -10.789 1.00 74.44 H new ATOM 0 HB2 ASP A 6 -9.713 -4.578 -9.152 1.00 73.03 H new ATOM 0 HB3 ASP A 6 -8.786 -3.695 -7.955 1.00 73.03 H new ATOM 91 N LEU A 7 -6.037 -2.878 -8.438 1.00 10.05 N ATOM 92 CA LEU A 7 -4.934 -1.913 -8.187 1.00 22.14 C ATOM 93 C LEU A 7 -3.634 -2.318 -8.925 1.00 11.21 C ATOM 94 O LEU A 7 -2.971 -1.483 -9.546 1.00 24.23 O ATOM 95 CB LEU A 7 -4.656 -1.818 -6.667 1.00 74.14 C ATOM 96 CG LEU A 7 -5.855 -1.388 -5.771 1.00 53.31 C ATOM 97 CD1 LEU A 7 -5.455 -1.405 -4.288 1.00 62.53 C ATOM 98 CD2 LEU A 7 -6.416 -0.012 -6.188 1.00 62.52 C ATOM 0 H LEU A 7 -6.359 -3.355 -7.596 1.00 10.05 H new ATOM 0 HA LEU A 7 -5.250 -0.943 -8.571 1.00 22.14 H new ATOM 0 HB2 LEU A 7 -4.303 -2.790 -6.323 1.00 74.14 H new ATOM 0 HB3 LEU A 7 -3.842 -1.110 -6.512 1.00 74.14 H new ATOM 0 HG LEU A 7 -6.656 -2.114 -5.915 1.00 53.31 H new ATOM 0 HD11 LEU A 7 -6.306 -1.102 -3.678 1.00 62.53 H new ATOM 0 HD12 LEU A 7 -5.147 -2.412 -4.006 1.00 62.53 H new ATOM 0 HD13 LEU A 7 -4.628 -0.714 -4.126 1.00 62.53 H new ATOM 0 HD21 LEU A 7 -7.251 0.252 -5.539 1.00 62.52 H new ATOM 0 HD22 LEU A 7 -5.634 0.742 -6.099 1.00 62.52 H new ATOM 0 HD23 LEU A 7 -6.760 -0.057 -7.221 1.00 62.52 H new ATOM 110 N LEU A 8 -3.304 -3.624 -8.850 1.00 45.11 N ATOM 111 CA LEU A 8 -2.081 -4.214 -9.457 1.00 55.01 C ATOM 112 C LEU A 8 -2.044 -3.998 -10.984 1.00 21.25 C ATOM 113 O LEU A 8 -0.992 -3.689 -11.559 1.00 30.51 O ATOM 114 CB LEU A 8 -2.018 -5.730 -9.133 1.00 45.21 C ATOM 115 CG LEU A 8 -0.746 -6.499 -9.606 1.00 63.34 C ATOM 116 CD1 LEU A 8 0.524 -5.958 -8.923 1.00 45.31 C ATOM 117 CD2 LEU A 8 -0.899 -8.015 -9.370 1.00 54.15 C ATOM 0 H LEU A 8 -3.881 -4.310 -8.363 1.00 45.11 H new ATOM 0 HA LEU A 8 -1.214 -3.710 -9.030 1.00 55.01 H new ATOM 0 HB2 LEU A 8 -2.106 -5.850 -8.053 1.00 45.21 H new ATOM 0 HB3 LEU A 8 -2.890 -6.209 -9.579 1.00 45.21 H new ATOM 0 HG LEU A 8 -0.639 -6.333 -10.678 1.00 63.34 H new ATOM 0 HD11 LEU A 8 1.392 -6.516 -9.275 1.00 45.31 H new ATOM 0 HD12 LEU A 8 0.647 -4.903 -9.167 1.00 45.31 H new ATOM 0 HD13 LEU A 8 0.433 -6.072 -7.843 1.00 45.31 H new ATOM 0 HD21 LEU A 8 0.001 -8.529 -9.708 1.00 54.15 H new ATOM 0 HD22 LEU A 8 -1.047 -8.205 -8.307 1.00 54.15 H new ATOM 0 HD23 LEU A 8 -1.759 -8.385 -9.928 1.00 54.15 H new ATOM 129 N ASP A 9 -3.223 -4.153 -11.608 1.00 23.23 N ATOM 130 CA ASP A 9 -3.423 -3.970 -13.057 1.00 12.32 C ATOM 131 C ASP A 9 -3.113 -2.508 -13.478 1.00 72.35 C ATOM 132 O ASP A 9 -2.444 -2.264 -14.487 1.00 63.21 O ATOM 133 CB ASP A 9 -4.885 -4.352 -13.410 1.00 2.40 C ATOM 134 CG ASP A 9 -5.119 -4.515 -14.919 1.00 32.22 C ATOM 135 OD1 ASP A 9 -4.907 -5.631 -15.442 1.00 53.11 O ATOM 136 OD2 ASP A 9 -5.503 -3.538 -15.593 1.00 1.35 O ATOM 0 H ASP A 9 -4.077 -4.413 -11.114 1.00 23.23 H new ATOM 0 HA ASP A 9 -2.737 -4.616 -13.605 1.00 12.32 H new ATOM 0 HB2 ASP A 9 -5.142 -5.284 -12.906 1.00 2.40 H new ATOM 0 HB3 ASP A 9 -5.557 -3.585 -13.025 1.00 2.40 H new ATOM 141 N GLU A 10 -3.571 -1.556 -12.648 1.00 2.21 N ATOM 142 CA GLU A 10 -3.389 -0.108 -12.890 1.00 51.31 C ATOM 143 C GLU A 10 -1.933 0.345 -12.662 1.00 41.44 C ATOM 144 O GLU A 10 -1.476 1.275 -13.316 1.00 0.11 O ATOM 145 CB GLU A 10 -4.363 0.708 -12.003 1.00 72.44 C ATOM 146 CG GLU A 10 -5.851 0.535 -12.375 1.00 13.14 C ATOM 147 CD GLU A 10 -6.230 1.179 -13.723 1.00 71.35 C ATOM 148 OE1 GLU A 10 -6.113 0.514 -14.777 1.00 23.43 O ATOM 149 OE2 GLU A 10 -6.653 2.359 -13.736 1.00 13.21 O ATOM 0 H GLU A 10 -4.079 -1.765 -11.788 1.00 2.21 H new ATOM 0 HA GLU A 10 -3.618 0.080 -13.939 1.00 51.31 H new ATOM 0 HB2 GLU A 10 -4.223 0.414 -10.963 1.00 72.44 H new ATOM 0 HB3 GLU A 10 -4.103 1.764 -12.073 1.00 72.44 H new ATOM 0 HG2 GLU A 10 -6.086 -0.529 -12.411 1.00 13.14 H new ATOM 0 HG3 GLU A 10 -6.466 0.971 -11.588 1.00 13.14 H new ATOM 156 N LEU A 11 -1.211 -0.327 -11.747 1.00 2.52 N ATOM 157 CA LEU A 11 0.222 -0.047 -11.471 1.00 1.51 C ATOM 158 C LEU A 11 1.106 -0.183 -12.747 1.00 54.51 C ATOM 159 O LEU A 11 1.972 0.659 -13.007 1.00 42.33 O ATOM 160 CB LEU A 11 0.725 -1.017 -10.366 1.00 20.23 C ATOM 161 CG LEU A 11 0.146 -0.779 -8.932 1.00 15.23 C ATOM 162 CD1 LEU A 11 0.448 -1.965 -7.989 1.00 75.24 C ATOM 163 CD2 LEU A 11 0.689 0.543 -8.344 1.00 63.11 C ATOM 0 H LEU A 11 -1.597 -1.079 -11.176 1.00 2.52 H new ATOM 0 HA LEU A 11 0.306 0.986 -11.134 1.00 1.51 H new ATOM 0 HB2 LEU A 11 0.486 -2.037 -10.669 1.00 20.23 H new ATOM 0 HB3 LEU A 11 1.811 -0.946 -10.314 1.00 20.23 H new ATOM 0 HG LEU A 11 -0.938 -0.703 -9.020 1.00 15.23 H new ATOM 0 HD11 LEU A 11 0.030 -1.762 -7.003 1.00 75.24 H new ATOM 0 HD12 LEU A 11 0.001 -2.874 -8.392 1.00 75.24 H new ATOM 0 HD13 LEU A 11 1.527 -2.098 -7.905 1.00 75.24 H new ATOM 0 HD21 LEU A 11 0.277 0.694 -7.346 1.00 63.11 H new ATOM 0 HD22 LEU A 11 1.776 0.495 -8.284 1.00 63.11 H new ATOM 0 HD23 LEU A 11 0.397 1.374 -8.986 1.00 63.11 H new ATOM 175 N ASN A 12 0.879 -1.265 -13.522 1.00 14.33 N ATOM 176 CA ASN A 12 1.615 -1.520 -14.793 1.00 1.10 C ATOM 177 C ASN A 12 0.923 -0.857 -16.020 1.00 73.33 C ATOM 178 O ASN A 12 1.459 -0.899 -17.133 1.00 50.14 O ATOM 179 CB ASN A 12 1.803 -3.051 -15.018 1.00 71.35 C ATOM 180 CG ASN A 12 0.490 -3.833 -15.121 1.00 33.51 C ATOM 181 OD1 ASN A 12 0.025 -4.375 -14.011 1.00 15.00 O flip ATOM 182 ND2 ASN A 12 -0.088 -3.971 -16.193 1.00 75.25 N flip ATOM 0 H ASN A 12 0.191 -1.982 -13.294 1.00 14.33 H new ATOM 0 HA ASN A 12 2.597 -1.057 -14.697 1.00 1.10 H new ATOM 0 HB2 ASN A 12 2.378 -3.205 -15.931 1.00 71.35 H new ATOM 0 HB3 ASN A 12 2.393 -3.458 -14.197 1.00 71.35 H new ATOM 0 HD21 ASN A 12 0.292 -3.542 -17.036 1.00 75.25 H new ATOM 0 HD22 ASN A 12 -0.949 -4.515 -16.242 1.00 75.25 H new ATOM 189 N ALA A 13 -0.264 -0.253 -15.810 1.00 50.30 N ATOM 190 CA ALA A 13 -1.024 0.439 -16.879 1.00 25.42 C ATOM 191 C ALA A 13 -0.623 1.930 -16.992 1.00 13.01 C ATOM 192 O ALA A 13 -0.237 2.401 -18.072 1.00 22.20 O ATOM 193 CB ALA A 13 -2.531 0.302 -16.615 1.00 42.22 C ATOM 0 H ALA A 13 -0.724 -0.229 -14.900 1.00 50.30 H new ATOM 0 HA ALA A 13 -0.781 -0.034 -17.831 1.00 25.42 H new ATOM 0 HB1 ALA A 13 -3.086 0.812 -17.402 1.00 42.22 H new ATOM 0 HB2 ALA A 13 -2.804 -0.753 -16.603 1.00 42.22 H new ATOM 0 HB3 ALA A 13 -2.774 0.750 -15.652 1.00 42.22 H new ATOM 199 N VAL A 14 -0.732 2.675 -15.869 1.00 20.45 N ATOM 200 CA VAL A 14 -0.390 4.119 -15.827 1.00 14.40 C ATOM 201 C VAL A 14 1.102 4.342 -15.444 1.00 53.23 C ATOM 202 O VAL A 14 1.571 3.877 -14.399 1.00 61.41 O ATOM 203 CB VAL A 14 -1.351 4.938 -14.863 1.00 52.40 C ATOM 204 CG1 VAL A 14 -2.817 4.885 -15.369 1.00 33.42 C ATOM 205 CG2 VAL A 14 -1.276 4.463 -13.383 1.00 63.11 C ATOM 0 H VAL A 14 -1.055 2.301 -14.977 1.00 20.45 H new ATOM 0 HA VAL A 14 -0.541 4.503 -16.836 1.00 14.40 H new ATOM 0 HB VAL A 14 -0.999 5.969 -14.885 1.00 52.40 H new ATOM 0 HG11 VAL A 14 -3.456 5.453 -14.693 1.00 33.42 H new ATOM 0 HG12 VAL A 14 -2.873 5.316 -16.369 1.00 33.42 H new ATOM 0 HG13 VAL A 14 -3.153 3.849 -15.402 1.00 33.42 H new ATOM 0 HG21 VAL A 14 -1.955 5.060 -12.774 1.00 63.11 H new ATOM 0 HG22 VAL A 14 -1.563 3.413 -13.323 1.00 63.11 H new ATOM 0 HG23 VAL A 14 -0.257 4.582 -13.014 1.00 63.11 H new ATOM 215 N ASP A 15 1.853 4.973 -16.375 1.00 11.41 N ATOM 216 CA ASP A 15 3.259 5.450 -16.176 1.00 3.53 C ATOM 217 C ASP A 15 3.537 6.172 -14.824 1.00 13.21 C ATOM 218 O ASP A 15 4.685 6.189 -14.362 1.00 71.34 O ATOM 219 CB ASP A 15 3.651 6.399 -17.340 1.00 30.45 C ATOM 220 CG ASP A 15 3.384 5.789 -18.723 1.00 15.30 C ATOM 221 OD1 ASP A 15 2.244 5.929 -19.230 1.00 12.45 O ATOM 222 OD2 ASP A 15 4.296 5.163 -19.301 1.00 45.14 O ATOM 0 H ASP A 15 1.499 5.174 -17.310 1.00 11.41 H new ATOM 0 HA ASP A 15 3.866 4.545 -16.158 1.00 3.53 H new ATOM 0 HB2 ASP A 15 3.094 7.331 -17.246 1.00 30.45 H new ATOM 0 HB3 ASP A 15 4.708 6.650 -17.257 1.00 30.45 H new ATOM 227 N GLU A 16 2.501 6.772 -14.206 1.00 23.25 N ATOM 228 CA GLU A 16 2.646 7.517 -12.934 1.00 14.33 C ATOM 229 C GLU A 16 1.626 7.016 -11.883 1.00 1.04 C ATOM 230 O GLU A 16 0.411 7.002 -12.129 1.00 65.03 O ATOM 231 CB GLU A 16 2.511 9.053 -13.169 1.00 12.52 C ATOM 232 CG GLU A 16 1.170 9.524 -13.770 1.00 4.21 C ATOM 233 CD GLU A 16 1.102 11.050 -13.960 1.00 62.04 C ATOM 234 OE1 GLU A 16 0.859 11.775 -12.971 1.00 63.30 O ATOM 235 OE2 GLU A 16 1.301 11.532 -15.095 1.00 51.21 O ATOM 0 H GLU A 16 1.547 6.756 -14.568 1.00 23.25 H new ATOM 0 HA GLU A 16 3.646 7.330 -12.542 1.00 14.33 H new ATOM 0 HB2 GLU A 16 2.660 9.562 -12.217 1.00 12.52 H new ATOM 0 HB3 GLU A 16 3.316 9.373 -13.830 1.00 12.52 H new ATOM 0 HG2 GLU A 16 1.018 9.036 -14.733 1.00 4.21 H new ATOM 0 HG3 GLU A 16 0.355 9.207 -13.119 1.00 4.21 H new ATOM 242 N SER A 17 2.139 6.564 -10.723 1.00 4.13 N ATOM 243 CA SER A 17 1.313 6.176 -9.562 1.00 14.44 C ATOM 244 C SER A 17 0.753 7.430 -8.853 1.00 10.31 C ATOM 245 O SER A 17 1.414 8.024 -7.992 1.00 41.34 O ATOM 246 CB SER A 17 2.152 5.317 -8.580 1.00 52.21 C ATOM 247 OG SER A 17 2.516 4.073 -9.158 1.00 22.30 O ATOM 0 H SER A 17 3.141 6.457 -10.563 1.00 4.13 H new ATOM 0 HA SER A 17 0.469 5.581 -9.911 1.00 14.44 H new ATOM 0 HB2 SER A 17 3.051 5.863 -8.294 1.00 52.21 H new ATOM 0 HB3 SER A 17 1.581 5.143 -7.668 1.00 52.21 H new ATOM 0 HG SER A 17 3.045 3.556 -8.515 1.00 22.30 H new ATOM 253 N ALA A 18 -0.460 7.845 -9.263 1.00 34.00 N ATOM 254 CA ALA A 18 -1.121 9.064 -8.747 1.00 54.43 C ATOM 255 C ALA A 18 -1.615 8.877 -7.289 1.00 34.21 C ATOM 256 O ALA A 18 -1.163 9.578 -6.376 1.00 43.31 O ATOM 257 CB ALA A 18 -2.275 9.469 -9.683 1.00 73.14 C ATOM 0 H ALA A 18 -1.012 7.346 -9.961 1.00 34.00 H new ATOM 0 HA ALA A 18 -0.387 9.869 -8.728 1.00 54.43 H new ATOM 0 HB1 ALA A 18 -2.758 10.367 -9.298 1.00 73.14 H new ATOM 0 HB2 ALA A 18 -1.882 9.667 -10.680 1.00 73.14 H new ATOM 0 HB3 ALA A 18 -3.003 8.659 -9.734 1.00 73.14 H new ATOM 263 N ARG A 19 -2.566 7.938 -7.081 1.00 15.24 N ATOM 264 CA ARG A 19 -3.069 7.591 -5.726 1.00 33.43 C ATOM 265 C ARG A 19 -2.824 6.104 -5.379 1.00 33.14 C ATOM 266 O ARG A 19 -3.145 5.686 -4.270 1.00 43.12 O ATOM 267 CB ARG A 19 -4.588 7.925 -5.554 1.00 62.13 C ATOM 268 CG ARG A 19 -4.962 9.432 -5.617 1.00 63.43 C ATOM 269 CD ARG A 19 -5.155 9.951 -7.056 1.00 25.13 C ATOM 270 NE ARG A 19 -6.309 9.308 -7.712 1.00 0.54 N ATOM 271 CZ ARG A 19 -6.496 9.179 -9.004 1.00 2.01 C ATOM 272 NH1 ARG A 19 -5.643 9.646 -9.861 1.00 24.53 N ATOM 273 NH2 ARG A 19 -7.554 8.581 -9.428 1.00 34.41 N ATOM 0 H ARG A 19 -3.003 7.405 -7.833 1.00 15.24 H new ATOM 0 HA ARG A 19 -2.499 8.209 -5.032 1.00 33.43 H new ATOM 0 HB2 ARG A 19 -5.146 7.399 -6.329 1.00 62.13 H new ATOM 0 HB3 ARG A 19 -4.922 7.527 -4.596 1.00 62.13 H new ATOM 0 HG2 ARG A 19 -5.880 9.596 -5.053 1.00 63.43 H new ATOM 0 HG3 ARG A 19 -4.180 10.014 -5.130 1.00 63.43 H new ATOM 0 HD2 ARG A 19 -5.301 11.031 -7.038 1.00 25.13 H new ATOM 0 HD3 ARG A 19 -4.252 9.761 -7.637 1.00 25.13 H new ATOM 0 HE ARG A 19 -7.032 8.927 -7.102 1.00 0.54 H new ATOM 0 HH11 ARG A 19 -4.804 10.126 -9.536 1.00 24.53 H new ATOM 0 HH12 ARG A 19 -5.811 9.533 -10.861 1.00 24.53 H new ATOM 0 HH21 ARG A 19 -8.234 8.215 -8.762 1.00 34.41 H new ATOM 0 HH22 ARG A 19 -7.712 8.474 -10.430 1.00 34.41 H new ATOM 287 N ILE A 20 -2.233 5.306 -6.295 1.00 50.34 N ATOM 288 CA ILE A 20 -2.028 3.849 -6.063 1.00 61.31 C ATOM 289 C ILE A 20 -0.517 3.547 -6.060 1.00 22.15 C ATOM 290 O ILE A 20 0.108 3.527 -7.117 1.00 5.02 O ATOM 291 CB ILE A 20 -2.739 2.959 -7.157 1.00 61.11 C ATOM 292 CG1 ILE A 20 -4.232 3.384 -7.349 1.00 32.42 C ATOM 293 CG2 ILE A 20 -2.637 1.447 -6.796 1.00 23.43 C ATOM 294 CD1 ILE A 20 -4.972 2.639 -8.452 1.00 53.53 C ATOM 0 H ILE A 20 -1.890 5.637 -7.197 1.00 50.34 H new ATOM 0 HA ILE A 20 -2.475 3.600 -5.100 1.00 61.31 H new ATOM 0 HB ILE A 20 -2.221 3.119 -8.103 1.00 61.11 H new ATOM 0 HG12 ILE A 20 -4.762 3.232 -6.409 1.00 32.42 H new ATOM 0 HG13 ILE A 20 -4.266 4.452 -7.565 1.00 32.42 H new ATOM 0 HG21 ILE A 20 -3.134 0.855 -7.565 1.00 23.43 H new ATOM 0 HG22 ILE A 20 -1.588 1.157 -6.737 1.00 23.43 H new ATOM 0 HG23 ILE A 20 -3.118 1.269 -5.834 1.00 23.43 H new ATOM 0 HD11 ILE A 20 -5.998 3.001 -8.510 1.00 53.53 H new ATOM 0 HD12 ILE A 20 -4.472 2.810 -9.405 1.00 53.53 H new ATOM 0 HD13 ILE A 20 -4.976 1.572 -8.231 1.00 53.53 H new ATOM 306 N GLU A 21 0.062 3.296 -4.875 1.00 5.41 N ATOM 307 CA GLU A 21 1.521 3.072 -4.718 1.00 53.21 C ATOM 308 C GLU A 21 1.800 1.686 -4.089 1.00 63.03 C ATOM 309 O GLU A 21 1.231 1.341 -3.052 1.00 43.10 O ATOM 310 CB GLU A 21 2.131 4.223 -3.866 1.00 53.34 C ATOM 311 CG GLU A 21 3.649 4.124 -3.591 1.00 43.11 C ATOM 312 CD GLU A 21 4.521 3.894 -4.842 1.00 71.31 C ATOM 313 OE1 GLU A 21 4.599 4.793 -5.705 1.00 42.21 O ATOM 314 OE2 GLU A 21 5.141 2.807 -4.953 1.00 41.03 O ATOM 0 H GLU A 21 -0.458 3.241 -3.999 1.00 5.41 H new ATOM 0 HA GLU A 21 1.996 3.078 -5.699 1.00 53.21 H new ATOM 0 HB2 GLU A 21 1.933 5.168 -4.372 1.00 53.34 H new ATOM 0 HB3 GLU A 21 1.609 4.258 -2.910 1.00 53.34 H new ATOM 0 HG2 GLU A 21 3.976 5.042 -3.102 1.00 43.11 H new ATOM 0 HG3 GLU A 21 3.824 3.309 -2.889 1.00 43.11 H new ATOM 321 N ALA A 22 2.705 0.913 -4.716 1.00 70.54 N ATOM 322 CA ALA A 22 2.970 -0.497 -4.357 1.00 15.20 C ATOM 323 C ALA A 22 4.269 -0.663 -3.538 1.00 13.43 C ATOM 324 O ALA A 22 5.308 -0.094 -3.877 1.00 11.33 O ATOM 325 CB ALA A 22 3.056 -1.332 -5.634 1.00 21.32 C ATOM 0 H ALA A 22 3.278 1.248 -5.491 1.00 70.54 H new ATOM 0 HA ALA A 22 2.148 -0.840 -3.729 1.00 15.20 H new ATOM 0 HB1 ALA A 22 3.251 -2.373 -5.376 1.00 21.32 H new ATOM 0 HB2 ALA A 22 2.114 -1.264 -6.178 1.00 21.32 H new ATOM 0 HB3 ALA A 22 3.864 -0.956 -6.261 1.00 21.32 H new ATOM 331 N LYS A 23 4.199 -1.464 -2.465 1.00 72.53 N ATOM 332 CA LYS A 23 5.358 -1.822 -1.624 1.00 74.23 C ATOM 333 C LYS A 23 5.503 -3.362 -1.500 1.00 4.31 C ATOM 334 O LYS A 23 4.521 -4.112 -1.584 1.00 41.31 O ATOM 335 CB LYS A 23 5.233 -1.152 -0.210 1.00 71.31 C ATOM 336 CG LYS A 23 6.282 -0.037 0.088 1.00 32.22 C ATOM 337 CD LYS A 23 5.705 1.398 0.209 1.00 54.44 C ATOM 338 CE LYS A 23 5.129 1.938 -1.105 1.00 31.45 C ATOM 339 NZ LYS A 23 6.151 1.989 -2.191 1.00 41.02 N ATOM 0 H LYS A 23 3.327 -1.888 -2.150 1.00 72.53 H new ATOM 0 HA LYS A 23 6.260 -1.444 -2.105 1.00 74.23 H new ATOM 0 HB2 LYS A 23 4.235 -0.725 -0.114 1.00 71.31 H new ATOM 0 HB3 LYS A 23 5.323 -1.927 0.551 1.00 71.31 H new ATOM 0 HG2 LYS A 23 6.797 -0.284 1.017 1.00 32.22 H new ATOM 0 HG3 LYS A 23 7.031 -0.044 -0.704 1.00 32.22 H new ATOM 0 HD2 LYS A 23 4.923 1.404 0.969 1.00 54.44 H new ATOM 0 HD3 LYS A 23 6.491 2.069 0.555 1.00 54.44 H new ATOM 0 HE2 LYS A 23 4.297 1.308 -1.421 1.00 31.45 H new ATOM 0 HE3 LYS A 23 4.727 2.938 -0.940 1.00 31.45 H new ATOM 0 HZ1 LYS A 23 6.039 2.870 -2.732 1.00 41.02 H new ATOM 0 HZ2 LYS A 23 7.103 1.958 -1.774 1.00 41.02 H new ATOM 0 HZ3 LYS A 23 6.024 1.175 -2.825 1.00 41.02 H new ATOM 353 N ARG A 24 6.754 -3.804 -1.305 1.00 4.02 N ATOM 354 CA ARG A 24 7.104 -5.225 -1.084 1.00 74.22 C ATOM 355 C ARG A 24 6.928 -5.597 0.417 1.00 11.24 C ATOM 356 O ARG A 24 7.003 -4.725 1.292 1.00 53.25 O ATOM 357 CB ARG A 24 8.569 -5.462 -1.565 1.00 63.14 C ATOM 358 CG ARG A 24 8.836 -4.959 -3.009 1.00 0.54 C ATOM 359 CD ARG A 24 10.299 -5.121 -3.471 1.00 5.02 C ATOM 360 NE ARG A 24 10.671 -6.520 -3.757 1.00 63.23 N ATOM 361 CZ ARG A 24 11.902 -6.954 -3.965 1.00 25.12 C ATOM 362 NH1 ARG A 24 12.929 -6.161 -3.873 1.00 22.40 N ATOM 363 NH2 ARG A 24 12.090 -8.196 -4.266 1.00 10.24 N ATOM 0 H ARG A 24 7.563 -3.183 -1.295 1.00 4.02 H new ATOM 0 HA ARG A 24 6.437 -5.869 -1.657 1.00 74.22 H new ATOM 0 HB2 ARG A 24 9.253 -4.959 -0.881 1.00 63.14 H new ATOM 0 HB3 ARG A 24 8.792 -6.528 -1.513 1.00 63.14 H new ATOM 0 HG2 ARG A 24 8.187 -5.501 -3.697 1.00 0.54 H new ATOM 0 HG3 ARG A 24 8.560 -3.906 -3.073 1.00 0.54 H new ATOM 0 HD2 ARG A 24 10.458 -4.520 -4.366 1.00 5.02 H new ATOM 0 HD3 ARG A 24 10.961 -4.727 -2.700 1.00 5.02 H new ATOM 0 HE ARG A 24 9.918 -7.207 -3.797 1.00 63.23 H new ATOM 0 HH11 ARG A 24 12.795 -5.178 -3.635 1.00 22.40 H new ATOM 0 HH12 ARG A 24 13.869 -6.522 -4.039 1.00 22.40 H new ATOM 0 HH21 ARG A 24 11.294 -8.829 -4.341 1.00 10.24 H new ATOM 0 HH22 ARG A 24 13.035 -8.544 -4.429 1.00 10.24 H new ATOM 377 N ALA A 25 6.677 -6.894 0.700 1.00 53.53 N ATOM 378 CA ALA A 25 6.468 -7.405 2.088 1.00 74.42 C ATOM 379 C ALA A 25 7.697 -7.168 3.015 1.00 71.44 C ATOM 380 O ALA A 25 7.544 -6.967 4.223 1.00 3.20 O ATOM 381 CB ALA A 25 6.100 -8.901 2.036 1.00 73.34 C ATOM 0 H ALA A 25 6.612 -7.618 -0.016 1.00 53.53 H new ATOM 0 HA ALA A 25 5.646 -6.838 2.526 1.00 74.42 H new ATOM 0 HB1 ALA A 25 5.948 -9.274 3.049 1.00 73.34 H new ATOM 0 HB2 ALA A 25 5.184 -9.030 1.460 1.00 73.34 H new ATOM 0 HB3 ALA A 25 6.908 -9.458 1.562 1.00 73.34 H new ATOM 387 N SER A 26 8.913 -7.182 2.435 1.00 13.13 N ATOM 388 CA SER A 26 10.188 -6.939 3.174 1.00 24.42 C ATOM 389 C SER A 26 10.503 -5.428 3.406 1.00 51.21 C ATOM 390 O SER A 26 11.625 -5.079 3.806 1.00 74.51 O ATOM 391 CB SER A 26 11.347 -7.601 2.392 1.00 2.34 C ATOM 392 OG SER A 26 11.444 -7.072 1.072 1.00 54.12 O ATOM 0 H SER A 26 9.049 -7.361 1.440 1.00 13.13 H new ATOM 0 HA SER A 26 10.075 -7.378 4.165 1.00 24.42 H new ATOM 0 HB2 SER A 26 12.286 -7.440 2.922 1.00 2.34 H new ATOM 0 HB3 SER A 26 11.189 -8.678 2.345 1.00 2.34 H new ATOM 0 HG SER A 26 12.185 -7.506 0.599 1.00 54.12 H new ATOM 398 N ASP A 27 9.513 -4.539 3.188 1.00 11.14 N ATOM 399 CA ASP A 27 9.698 -3.070 3.323 1.00 60.50 C ATOM 400 C ASP A 27 8.921 -2.490 4.545 1.00 51.03 C ATOM 401 O ASP A 27 8.923 -1.271 4.762 1.00 51.31 O ATOM 402 CB ASP A 27 9.273 -2.373 1.998 1.00 15.53 C ATOM 403 CG ASP A 27 9.709 -0.897 1.923 1.00 24.01 C ATOM 404 OD1 ASP A 27 10.922 -0.635 1.755 1.00 63.21 O ATOM 405 OD2 ASP A 27 8.855 0.002 2.042 1.00 23.41 O ATOM 0 H ASP A 27 8.568 -4.810 2.915 1.00 11.14 H new ATOM 0 HA ASP A 27 10.753 -2.872 3.510 1.00 60.50 H new ATOM 0 HB2 ASP A 27 9.702 -2.915 1.156 1.00 15.53 H new ATOM 0 HB3 ASP A 27 8.189 -2.431 1.896 1.00 15.53 H new ATOM 410 N MET A 28 8.282 -3.366 5.354 1.00 10.34 N ATOM 411 CA MET A 28 7.475 -2.941 6.533 1.00 22.11 C ATOM 412 C MET A 28 8.277 -2.023 7.507 1.00 73.55 C ATOM 413 O MET A 28 9.146 -2.497 8.250 1.00 4.50 O ATOM 414 CB MET A 28 6.953 -4.175 7.303 1.00 63.45 C ATOM 415 CG MET A 28 6.023 -5.098 6.513 1.00 64.44 C ATOM 416 SD MET A 28 5.322 -6.391 7.559 1.00 24.14 S ATOM 417 CE MET A 28 4.395 -5.413 8.749 1.00 73.33 C ATOM 0 H MET A 28 8.307 -4.376 5.215 1.00 10.34 H new ATOM 0 HA MET A 28 6.637 -2.362 6.146 1.00 22.11 H new ATOM 0 HB2 MET A 28 7.809 -4.757 7.646 1.00 63.45 H new ATOM 0 HB3 MET A 28 6.425 -3.830 8.192 1.00 63.45 H new ATOM 0 HG2 MET A 28 5.218 -4.512 6.070 1.00 64.44 H new ATOM 0 HG3 MET A 28 6.575 -5.554 5.691 1.00 64.44 H new ATOM 0 HE1 MET A 28 3.618 -6.030 9.200 1.00 73.33 H new ATOM 0 HE2 MET A 28 5.068 -5.052 9.526 1.00 73.33 H new ATOM 0 HE3 MET A 28 3.936 -4.564 8.243 1.00 73.33 H new ATOM 427 N GLY A 29 7.979 -0.710 7.474 1.00 60.54 N ATOM 428 CA GLY A 29 8.667 0.273 8.316 1.00 3.24 C ATOM 429 C GLY A 29 8.423 1.718 7.877 1.00 11.13 C ATOM 430 O GLY A 29 7.330 2.052 7.409 1.00 20.12 O ATOM 0 H GLY A 29 7.262 -0.310 6.869 1.00 60.54 H new ATOM 0 HA2 GLY A 29 8.337 0.153 9.348 1.00 3.24 H new ATOM 0 HA3 GLY A 29 9.738 0.071 8.299 1.00 3.24 H new ATOM 434 N LYS A 30 9.473 2.560 7.990 1.00 22.32 N ATOM 435 CA LYS A 30 9.390 4.033 7.794 1.00 14.13 C ATOM 436 C LYS A 30 9.168 4.437 6.312 1.00 72.45 C ATOM 437 O LYS A 30 8.709 5.551 6.043 1.00 31.42 O ATOM 438 CB LYS A 30 10.669 4.746 8.349 1.00 5.42 C ATOM 439 CG LYS A 30 10.810 4.774 9.895 1.00 42.44 C ATOM 440 CD LYS A 30 11.034 3.375 10.525 1.00 53.20 C ATOM 441 CE LYS A 30 11.161 3.422 12.058 1.00 34.10 C ATOM 442 NZ LYS A 30 11.322 2.071 12.647 1.00 74.24 N ATOM 0 H LYS A 30 10.413 2.238 8.222 1.00 22.32 H new ATOM 0 HA LYS A 30 8.516 4.362 8.356 1.00 14.13 H new ATOM 0 HB2 LYS A 30 11.547 4.253 7.932 1.00 5.42 H new ATOM 0 HB3 LYS A 30 10.677 5.773 7.984 1.00 5.42 H new ATOM 0 HG2 LYS A 30 11.645 5.422 10.163 1.00 42.44 H new ATOM 0 HG3 LYS A 30 9.912 5.217 10.325 1.00 42.44 H new ATOM 0 HD2 LYS A 30 10.204 2.723 10.254 1.00 53.20 H new ATOM 0 HD3 LYS A 30 11.937 2.933 10.104 1.00 53.20 H new ATOM 0 HE2 LYS A 30 12.016 4.040 12.331 1.00 34.10 H new ATOM 0 HE3 LYS A 30 10.276 3.898 12.480 1.00 34.10 H new ATOM 0 HZ1 LYS A 30 11.404 2.150 13.681 1.00 74.24 H new ATOM 0 HZ2 LYS A 30 10.495 1.488 12.409 1.00 74.24 H new ATOM 0 HZ3 LYS A 30 12.181 1.626 12.265 1.00 74.24 H new ATOM 456 N SER A 31 9.511 3.542 5.370 1.00 53.03 N ATOM 457 CA SER A 31 9.321 3.786 3.914 1.00 42.12 C ATOM 458 C SER A 31 7.829 3.646 3.519 1.00 14.41 C ATOM 459 O SER A 31 7.291 4.468 2.758 1.00 0.02 O ATOM 460 CB SER A 31 10.205 2.824 3.089 1.00 63.22 C ATOM 461 OG SER A 31 11.576 2.934 3.464 1.00 32.20 O ATOM 0 H SER A 31 9.925 2.635 5.584 1.00 53.03 H new ATOM 0 HA SER A 31 9.628 4.808 3.693 1.00 42.12 H new ATOM 0 HB2 SER A 31 9.866 1.798 3.236 1.00 63.22 H new ATOM 0 HB3 SER A 31 10.097 3.046 2.027 1.00 63.22 H new ATOM 0 HG SER A 31 12.113 2.313 2.928 1.00 32.20 H new ATOM 467 N VAL A 32 7.165 2.595 4.053 1.00 51.35 N ATOM 468 CA VAL A 32 5.686 2.443 3.982 1.00 31.42 C ATOM 469 C VAL A 32 4.979 3.638 4.681 1.00 74.42 C ATOM 470 O VAL A 32 3.968 4.155 4.194 1.00 0.32 O ATOM 471 CB VAL A 32 5.219 1.086 4.642 1.00 25.30 C ATOM 472 CG1 VAL A 32 3.679 0.902 4.569 1.00 25.21 C ATOM 473 CG2 VAL A 32 5.939 -0.129 4.004 1.00 23.11 C ATOM 0 H VAL A 32 7.632 1.832 4.543 1.00 51.35 H new ATOM 0 HA VAL A 32 5.406 2.429 2.929 1.00 31.42 H new ATOM 0 HB VAL A 32 5.497 1.138 5.695 1.00 25.30 H new ATOM 0 HG11 VAL A 32 3.403 -0.044 5.035 1.00 25.21 H new ATOM 0 HG12 VAL A 32 3.189 1.722 5.095 1.00 25.21 H new ATOM 0 HG13 VAL A 32 3.362 0.899 3.526 1.00 25.21 H new ATOM 0 HG21 VAL A 32 5.595 -1.047 4.481 1.00 23.11 H new ATOM 0 HG22 VAL A 32 5.714 -0.167 2.938 1.00 23.11 H new ATOM 0 HG23 VAL A 32 7.015 -0.029 4.144 1.00 23.11 H new ATOM 483 N MET A 33 5.572 4.096 5.800 1.00 62.14 N ATOM 484 CA MET A 33 5.032 5.224 6.597 1.00 51.04 C ATOM 485 C MET A 33 5.188 6.577 5.886 1.00 73.22 C ATOM 486 O MET A 33 4.351 7.462 6.057 1.00 60.41 O ATOM 487 CB MET A 33 5.678 5.273 8.000 1.00 64.12 C ATOM 488 CG MET A 33 5.172 4.170 8.919 1.00 31.30 C ATOM 489 SD MET A 33 3.378 4.243 9.081 1.00 62.45 S ATOM 490 CE MET A 33 3.061 2.834 10.118 1.00 4.54 C ATOM 0 H MET A 33 6.433 3.701 6.178 1.00 62.14 H new ATOM 0 HA MET A 33 3.963 5.041 6.709 1.00 51.04 H new ATOM 0 HB2 MET A 33 6.760 5.189 7.900 1.00 64.12 H new ATOM 0 HB3 MET A 33 5.474 6.242 8.456 1.00 64.12 H new ATOM 0 HG2 MET A 33 5.467 3.198 8.524 1.00 31.30 H new ATOM 0 HG3 MET A 33 5.634 4.268 9.901 1.00 31.30 H new ATOM 0 HE1 MET A 33 1.999 2.592 10.088 1.00 4.54 H new ATOM 0 HE2 MET A 33 3.637 1.981 9.759 1.00 4.54 H new ATOM 0 HE3 MET A 33 3.352 3.064 11.143 1.00 4.54 H new ATOM 500 N GLU A 34 6.254 6.731 5.090 1.00 3.44 N ATOM 501 CA GLU A 34 6.468 7.948 4.282 1.00 21.15 C ATOM 502 C GLU A 34 5.340 8.088 3.219 1.00 53.04 C ATOM 503 O GLU A 34 4.921 9.196 2.867 1.00 23.01 O ATOM 504 CB GLU A 34 7.869 7.904 3.602 1.00 0.31 C ATOM 505 CG GLU A 34 8.396 9.276 3.113 1.00 35.21 C ATOM 506 CD GLU A 34 8.757 10.229 4.272 1.00 40.10 C ATOM 507 OE1 GLU A 34 7.879 10.996 4.736 1.00 14.44 O ATOM 508 OE2 GLU A 34 9.908 10.182 4.764 1.00 32.23 O ATOM 0 H GLU A 34 6.986 6.028 4.985 1.00 3.44 H new ATOM 0 HA GLU A 34 6.434 8.819 4.936 1.00 21.15 H new ATOM 0 HB2 GLU A 34 8.587 7.485 4.307 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.824 7.224 2.752 1.00 0.31 H new ATOM 0 HG2 GLU A 34 9.277 9.120 2.490 1.00 35.21 H new ATOM 0 HG3 GLU A 34 7.640 9.747 2.484 1.00 35.21 H new ATOM 515 N THR A 35 4.851 6.928 2.736 1.00 10.32 N ATOM 516 CA THR A 35 3.771 6.849 1.733 1.00 52.21 C ATOM 517 C THR A 35 2.361 7.090 2.364 1.00 63.30 C ATOM 518 O THR A 35 1.562 7.855 1.811 1.00 21.42 O ATOM 519 CB THR A 35 3.806 5.473 0.982 1.00 33.44 C ATOM 520 OG1 THR A 35 5.138 5.201 0.494 1.00 65.51 O ATOM 521 CG2 THR A 35 2.831 5.440 -0.208 1.00 64.42 C ATOM 0 H THR A 35 5.196 6.015 3.033 1.00 10.32 H new ATOM 0 HA THR A 35 3.947 7.648 1.013 1.00 52.21 H new ATOM 0 HB THR A 35 3.503 4.713 1.702 1.00 33.44 H new ATOM 0 HG1 THR A 35 5.726 4.989 1.249 1.00 65.51 H new ATOM 0 HG21 THR A 35 2.889 4.468 -0.699 1.00 64.42 H new ATOM 0 HG22 THR A 35 1.815 5.606 0.150 1.00 64.42 H new ATOM 0 HG23 THR A 35 3.098 6.222 -0.919 1.00 64.42 H new ATOM 529 N VAL A 36 2.053 6.433 3.524 1.00 14.22 N ATOM 530 CA VAL A 36 0.730 6.608 4.219 1.00 70.40 C ATOM 531 C VAL A 36 0.475 8.088 4.630 1.00 61.23 C ATOM 532 O VAL A 36 -0.654 8.585 4.522 1.00 40.14 O ATOM 533 CB VAL A 36 0.535 5.673 5.491 1.00 3.53 C ATOM 534 CG1 VAL A 36 0.711 4.179 5.143 1.00 44.54 C ATOM 535 CG2 VAL A 36 1.450 6.072 6.673 1.00 70.42 C ATOM 0 H VAL A 36 2.688 5.788 3.993 1.00 14.22 H new ATOM 0 HA VAL A 36 -0.004 6.303 3.474 1.00 70.40 H new ATOM 0 HB VAL A 36 -0.494 5.825 5.816 1.00 3.53 H new ATOM 0 HG11 VAL A 36 0.569 3.577 6.041 1.00 44.54 H new ATOM 0 HG12 VAL A 36 -0.026 3.891 4.393 1.00 44.54 H new ATOM 0 HG13 VAL A 36 1.714 4.013 4.749 1.00 44.54 H new ATOM 0 HG21 VAL A 36 1.274 5.400 7.513 1.00 70.42 H new ATOM 0 HG22 VAL A 36 2.493 6.002 6.365 1.00 70.42 H new ATOM 0 HG23 VAL A 36 1.229 7.096 6.975 1.00 70.42 H new ATOM 545 N ILE A 37 1.540 8.780 5.093 1.00 21.22 N ATOM 546 CA ILE A 37 1.482 10.215 5.455 1.00 4.20 C ATOM 547 C ILE A 37 1.147 11.086 4.219 1.00 40.32 C ATOM 548 O ILE A 37 0.393 12.046 4.333 1.00 41.52 O ATOM 549 CB ILE A 37 2.836 10.692 6.119 1.00 21.01 C ATOM 550 CG1 ILE A 37 3.072 9.952 7.478 1.00 52.42 C ATOM 551 CG2 ILE A 37 2.890 12.233 6.320 1.00 74.52 C ATOM 552 CD1 ILE A 37 4.416 10.241 8.139 1.00 10.34 C ATOM 0 H ILE A 37 2.461 8.362 5.226 1.00 21.22 H new ATOM 0 HA ILE A 37 0.684 10.338 6.187 1.00 4.20 H new ATOM 0 HB ILE A 37 3.638 10.433 5.428 1.00 21.01 H new ATOM 0 HG12 ILE A 37 2.276 10.229 8.169 1.00 52.42 H new ATOM 0 HG13 ILE A 37 2.989 8.878 7.310 1.00 52.42 H new ATOM 0 HG21 ILE A 37 3.840 12.507 6.779 1.00 74.52 H new ATOM 0 HG22 ILE A 37 2.797 12.729 5.354 1.00 74.52 H new ATOM 0 HG23 ILE A 37 2.071 12.544 6.968 1.00 74.52 H new ATOM 0 HD11 ILE A 37 4.489 9.685 9.074 1.00 10.34 H new ATOM 0 HD12 ILE A 37 5.222 9.937 7.472 1.00 10.34 H new ATOM 0 HD13 ILE A 37 4.498 11.308 8.345 1.00 10.34 H new ATOM 564 N ALA A 38 1.657 10.697 3.030 1.00 44.14 N ATOM 565 CA ALA A 38 1.491 11.489 1.784 1.00 63.24 C ATOM 566 C ALA A 38 0.000 11.614 1.365 1.00 70.23 C ATOM 567 O ALA A 38 -0.429 12.670 0.898 1.00 64.01 O ATOM 568 CB ALA A 38 2.331 10.871 0.647 1.00 31.41 C ATOM 0 H ALA A 38 2.190 9.836 2.903 1.00 44.14 H new ATOM 0 HA ALA A 38 1.850 12.499 1.983 1.00 63.24 H new ATOM 0 HB1 ALA A 38 2.202 11.459 -0.262 1.00 31.41 H new ATOM 0 HB2 ALA A 38 3.383 10.869 0.932 1.00 31.41 H new ATOM 0 HB3 ALA A 38 2.002 9.848 0.466 1.00 31.41 H new ATOM 574 N PHE A 39 -0.776 10.522 1.547 1.00 54.21 N ATOM 575 CA PHE A 39 -2.242 10.513 1.291 1.00 42.14 C ATOM 576 C PHE A 39 -3.017 11.279 2.397 1.00 3.52 C ATOM 577 O PHE A 39 -3.877 12.117 2.105 1.00 12.33 O ATOM 578 CB PHE A 39 -2.777 9.054 1.216 1.00 34.24 C ATOM 579 CG PHE A 39 -2.100 8.164 0.172 1.00 60.32 C ATOM 580 CD1 PHE A 39 -2.197 8.456 -1.189 1.00 60.21 C ATOM 581 CD2 PHE A 39 -1.371 7.029 0.548 1.00 43.40 C ATOM 582 CE1 PHE A 39 -1.586 7.650 -2.134 1.00 24.41 C ATOM 583 CE2 PHE A 39 -0.765 6.226 -0.399 1.00 55.11 C ATOM 584 CZ PHE A 39 -0.872 6.535 -1.739 1.00 1.21 C ATOM 0 H PHE A 39 -0.412 9.627 1.873 1.00 54.21 H new ATOM 0 HA PHE A 39 -2.404 11.013 0.336 1.00 42.14 H new ATOM 0 HB2 PHE A 39 -2.660 8.591 2.196 1.00 34.24 H new ATOM 0 HB3 PHE A 39 -3.846 9.086 1.004 1.00 34.24 H new ATOM 0 HD1 PHE A 39 -2.756 9.323 -1.509 1.00 60.21 H new ATOM 0 HD2 PHE A 39 -1.281 6.777 1.594 1.00 43.40 H new ATOM 0 HE1 PHE A 39 -1.668 7.893 -3.183 1.00 24.41 H new ATOM 0 HE2 PHE A 39 -0.207 5.355 -0.090 1.00 55.11 H new ATOM 0 HZ PHE A 39 -0.398 5.906 -2.478 1.00 1.21 H new ATOM 594 N ALA A 40 -2.683 10.973 3.667 1.00 44.23 N ATOM 595 CA ALA A 40 -3.406 11.488 4.861 1.00 55.01 C ATOM 596 C ALA A 40 -3.139 12.993 5.149 1.00 61.53 C ATOM 597 O ALA A 40 -3.918 13.643 5.851 1.00 0.41 O ATOM 598 CB ALA A 40 -3.038 10.635 6.083 1.00 44.02 C ATOM 0 H ALA A 40 -1.902 10.360 3.901 1.00 44.23 H new ATOM 0 HA ALA A 40 -4.472 11.410 4.649 1.00 55.01 H new ATOM 0 HB1 ALA A 40 -3.566 11.009 6.960 1.00 44.02 H new ATOM 0 HB2 ALA A 40 -3.323 9.599 5.903 1.00 44.02 H new ATOM 0 HB3 ALA A 40 -1.963 10.691 6.255 1.00 44.02 H new ATOM 604 N ASN A 41 -2.019 13.524 4.639 1.00 71.25 N ATOM 605 CA ASN A 41 -1.619 14.939 4.852 1.00 64.42 C ATOM 606 C ASN A 41 -2.118 15.848 3.701 1.00 13.44 C ATOM 607 O ASN A 41 -2.600 16.959 3.952 1.00 24.45 O ATOM 608 CB ASN A 41 -0.074 15.039 4.972 1.00 45.51 C ATOM 609 CG ASN A 41 0.419 16.431 5.382 1.00 60.42 C ATOM 610 OD1 ASN A 41 0.637 17.303 4.546 1.00 41.43 O ATOM 611 ND2 ASN A 41 0.620 16.643 6.670 1.00 71.23 N ATOM 0 H ASN A 41 -1.361 12.994 4.068 1.00 71.25 H new ATOM 0 HA ASN A 41 -2.081 15.284 5.777 1.00 64.42 H new ATOM 0 HB2 ASN A 41 0.274 14.309 5.703 1.00 45.51 H new ATOM 0 HB3 ASN A 41 0.375 14.770 4.016 1.00 45.51 H new ATOM 0 HD21 ASN A 41 0.964 17.548 6.990 1.00 71.23 H new ATOM 0 HD22 ASN A 41 0.431 15.902 7.344 1.00 71.23 H new ATOM 618 N GLU A 42 -1.983 15.362 2.448 1.00 40.24 N ATOM 619 CA GLU A 42 -2.244 16.162 1.220 1.00 4.55 C ATOM 620 C GLU A 42 -3.732 16.628 1.130 1.00 74.12 C ATOM 621 O GLU A 42 -4.624 15.792 0.942 1.00 25.14 O ATOM 622 CB GLU A 42 -1.870 15.329 -0.038 1.00 53.31 C ATOM 623 CG GLU A 42 -1.950 16.086 -1.384 1.00 45.44 C ATOM 624 CD GLU A 42 -0.919 17.223 -1.514 1.00 31.32 C ATOM 625 OE1 GLU A 42 0.282 16.930 -1.714 1.00 35.45 O ATOM 626 OE2 GLU A 42 -1.295 18.413 -1.411 1.00 54.13 O ATOM 0 H GLU A 42 -1.690 14.404 2.254 1.00 40.24 H new ATOM 0 HA GLU A 42 -1.624 17.057 1.269 1.00 4.55 H new ATOM 0 HB2 GLU A 42 -0.855 14.950 0.087 1.00 53.31 H new ATOM 0 HB3 GLU A 42 -2.530 14.463 -0.088 1.00 53.31 H new ATOM 0 HG2 GLU A 42 -1.802 15.378 -2.199 1.00 45.44 H new ATOM 0 HG3 GLU A 42 -2.952 16.500 -1.500 1.00 45.44 H new ATOM 633 N PRO A 43 -4.019 17.974 1.264 1.00 1.01 N ATOM 634 CA PRO A 43 -5.403 18.511 1.208 1.00 61.24 C ATOM 635 C PRO A 43 -6.068 18.322 -0.186 1.00 13.20 C ATOM 636 O PRO A 43 -5.731 19.011 -1.161 1.00 24.33 O ATOM 637 CB PRO A 43 -5.232 20.011 1.585 1.00 72.34 C ATOM 638 CG PRO A 43 -3.811 20.330 1.225 1.00 45.43 C ATOM 639 CD PRO A 43 -3.026 19.062 1.495 1.00 4.20 C ATOM 0 HA PRO A 43 -6.077 17.983 1.883 1.00 61.24 H new ATOM 0 HB2 PRO A 43 -5.932 20.641 1.035 1.00 72.34 H new ATOM 0 HB3 PRO A 43 -5.420 20.177 2.646 1.00 72.34 H new ATOM 0 HG2 PRO A 43 -3.729 20.626 0.179 1.00 45.43 H new ATOM 0 HG3 PRO A 43 -3.432 21.160 1.822 1.00 45.43 H new ATOM 0 HD2 PRO A 43 -2.170 18.971 0.826 1.00 4.20 H new ATOM 0 HD3 PRO A 43 -2.638 19.040 2.514 1.00 4.20 H new ATOM 647 N GLY A 44 -7.000 17.354 -0.261 1.00 3.12 N ATOM 648 CA GLY A 44 -7.789 17.091 -1.471 1.00 13.20 C ATOM 649 C GLY A 44 -7.358 15.854 -2.260 1.00 5.05 C ATOM 650 O GLY A 44 -7.688 15.746 -3.445 1.00 70.52 O ATOM 0 H GLY A 44 -7.225 16.734 0.517 1.00 3.12 H new ATOM 0 HA2 GLY A 44 -8.836 16.978 -1.188 1.00 13.20 H new ATOM 0 HA3 GLY A 44 -7.728 17.961 -2.124 1.00 13.20 H new ATOM 654 N LEU A 45 -6.619 14.906 -1.634 1.00 63.11 N ATOM 655 CA LEU A 45 -6.190 13.646 -2.311 1.00 15.24 C ATOM 656 C LEU A 45 -6.989 12.398 -1.801 1.00 53.51 C ATOM 657 O LEU A 45 -6.677 11.262 -2.189 1.00 1.43 O ATOM 658 CB LEU A 45 -4.657 13.455 -2.084 1.00 2.03 C ATOM 659 CG LEU A 45 -3.927 12.447 -3.039 1.00 72.23 C ATOM 660 CD1 LEU A 45 -3.923 12.961 -4.498 1.00 34.53 C ATOM 661 CD2 LEU A 45 -2.496 12.134 -2.543 1.00 33.14 C ATOM 0 H LEU A 45 -6.306 14.984 -0.666 1.00 63.11 H new ATOM 0 HA LEU A 45 -6.403 13.732 -3.377 1.00 15.24 H new ATOM 0 HB2 LEU A 45 -4.174 14.427 -2.181 1.00 2.03 H new ATOM 0 HB3 LEU A 45 -4.503 13.124 -1.057 1.00 2.03 H new ATOM 0 HG LEU A 45 -4.487 11.512 -3.022 1.00 72.23 H new ATOM 0 HD11 LEU A 45 -3.410 12.241 -5.136 1.00 34.53 H new ATOM 0 HD12 LEU A 45 -4.950 13.085 -4.843 1.00 34.53 H new ATOM 0 HD13 LEU A 45 -3.406 13.920 -4.545 1.00 34.53 H new ATOM 0 HD21 LEU A 45 -2.019 11.433 -3.228 1.00 33.14 H new ATOM 0 HD22 LEU A 45 -1.915 13.055 -2.504 1.00 33.14 H new ATOM 0 HD23 LEU A 45 -2.544 11.693 -1.547 1.00 33.14 H new ATOM 673 N ASP A 46 -8.009 12.635 -0.931 1.00 55.41 N ATOM 674 CA ASP A 46 -8.878 11.580 -0.312 1.00 63.32 C ATOM 675 C ASP A 46 -9.286 10.451 -1.296 1.00 52.22 C ATOM 676 O ASP A 46 -9.864 10.705 -2.355 1.00 71.34 O ATOM 677 CB ASP A 46 -10.149 12.231 0.306 1.00 61.11 C ATOM 678 CG ASP A 46 -11.053 11.220 1.029 1.00 20.34 C ATOM 679 OD1 ASP A 46 -10.721 10.821 2.161 1.00 61.25 O ATOM 680 OD2 ASP A 46 -12.101 10.819 0.473 1.00 12.42 O ATOM 0 H ASP A 46 -8.259 13.577 -0.632 1.00 55.41 H new ATOM 0 HA ASP A 46 -8.278 11.108 0.466 1.00 63.32 H new ATOM 0 HB2 ASP A 46 -9.847 13.007 1.009 1.00 61.11 H new ATOM 0 HB3 ASP A 46 -10.720 12.720 -0.483 1.00 61.11 H new ATOM 685 N GLY A 47 -8.983 9.203 -0.913 1.00 71.11 N ATOM 686 CA GLY A 47 -9.252 8.039 -1.760 1.00 35.32 C ATOM 687 C GLY A 47 -7.984 7.470 -2.398 1.00 51.00 C ATOM 688 O GLY A 47 -7.937 7.243 -3.617 1.00 31.20 O ATOM 0 H GLY A 47 -8.550 8.976 -0.018 1.00 71.11 H new ATOM 0 HA2 GLY A 47 -9.733 7.264 -1.164 1.00 35.32 H new ATOM 0 HA3 GLY A 47 -9.954 8.320 -2.545 1.00 35.32 H new ATOM 692 N GLY A 48 -6.950 7.204 -1.567 1.00 5.11 N ATOM 693 CA GLY A 48 -5.678 6.649 -2.038 1.00 12.43 C ATOM 694 C GLY A 48 -5.458 5.226 -1.524 1.00 0.04 C ATOM 695 O GLY A 48 -5.934 4.874 -0.442 1.00 34.43 O ATOM 0 H GLY A 48 -6.981 7.369 -0.561 1.00 5.11 H new ATOM 0 HA2 GLY A 48 -5.662 6.649 -3.128 1.00 12.43 H new ATOM 0 HA3 GLY A 48 -4.858 7.286 -1.707 1.00 12.43 H new ATOM 699 N TYR A 49 -4.750 4.399 -2.307 1.00 54.45 N ATOM 700 CA TYR A 49 -4.486 2.980 -1.975 1.00 41.50 C ATOM 701 C TYR A 49 -2.971 2.680 -1.953 1.00 2.23 C ATOM 702 O TYR A 49 -2.257 2.956 -2.918 1.00 12.12 O ATOM 703 CB TYR A 49 -5.183 2.064 -3.014 1.00 71.01 C ATOM 704 CG TYR A 49 -6.698 2.278 -3.107 1.00 11.32 C ATOM 705 CD1 TYR A 49 -7.573 1.591 -2.262 1.00 61.23 C ATOM 706 CD2 TYR A 49 -7.254 3.189 -4.017 1.00 64.14 C ATOM 707 CE1 TYR A 49 -8.932 1.807 -2.317 1.00 0.12 C ATOM 708 CE2 TYR A 49 -8.618 3.400 -4.075 1.00 12.31 C ATOM 709 CZ TYR A 49 -9.452 2.710 -3.222 1.00 64.43 C ATOM 710 OH TYR A 49 -10.813 2.931 -3.264 1.00 42.11 O ATOM 0 H TYR A 49 -4.340 4.691 -3.194 1.00 54.45 H new ATOM 0 HA TYR A 49 -4.885 2.784 -0.980 1.00 41.50 H new ATOM 0 HB2 TYR A 49 -4.740 2.239 -3.994 1.00 71.01 H new ATOM 0 HB3 TYR A 49 -4.987 1.023 -2.757 1.00 71.01 H new ATOM 0 HD1 TYR A 49 -7.177 0.878 -1.554 1.00 61.23 H new ATOM 0 HD2 TYR A 49 -6.604 3.735 -4.684 1.00 64.14 H new ATOM 0 HE1 TYR A 49 -9.591 1.269 -1.652 1.00 0.12 H new ATOM 0 HE2 TYR A 49 -9.029 4.102 -4.785 1.00 12.31 H new ATOM 0 HH TYR A 49 -11.015 3.596 -3.955 1.00 42.11 H new ATOM 720 N LEU A 50 -2.501 2.105 -0.844 1.00 50.22 N ATOM 721 CA LEU A 50 -1.148 1.557 -0.711 1.00 42.30 C ATOM 722 C LEU A 50 -1.263 0.015 -0.774 1.00 65.42 C ATOM 723 O LEU A 50 -1.890 -0.599 0.094 1.00 42.21 O ATOM 724 CB LEU A 50 -0.517 2.045 0.631 1.00 60.23 C ATOM 725 CG LEU A 50 1.042 2.180 0.678 1.00 61.00 C ATOM 726 CD1 LEU A 50 1.493 2.734 2.036 1.00 61.21 C ATOM 727 CD2 LEU A 50 1.777 0.860 0.367 1.00 61.40 C ATOM 0 H LEU A 50 -3.060 2.005 0.003 1.00 50.22 H new ATOM 0 HA LEU A 50 -0.494 1.899 -1.514 1.00 42.30 H new ATOM 0 HB2 LEU A 50 -0.948 3.016 0.874 1.00 60.23 H new ATOM 0 HB3 LEU A 50 -0.821 1.355 1.418 1.00 60.23 H new ATOM 0 HG LEU A 50 1.314 2.881 -0.111 1.00 61.00 H new ATOM 0 HD11 LEU A 50 2.579 2.821 2.051 1.00 61.21 H new ATOM 0 HD12 LEU A 50 1.048 3.716 2.194 1.00 61.21 H new ATOM 0 HD13 LEU A 50 1.172 2.059 2.829 1.00 61.21 H new ATOM 0 HD21 LEU A 50 2.854 1.023 0.416 1.00 61.40 H new ATOM 0 HD22 LEU A 50 1.491 0.103 1.097 1.00 61.40 H new ATOM 0 HD23 LEU A 50 1.507 0.520 -0.633 1.00 61.40 H new ATOM 739 N LEU A 51 -0.661 -0.604 -1.798 1.00 74.12 N ATOM 740 CA LEU A 51 -0.808 -2.051 -2.054 1.00 45.42 C ATOM 741 C LEU A 51 0.454 -2.825 -1.605 1.00 23.22 C ATOM 742 O LEU A 51 1.528 -2.680 -2.191 1.00 50.55 O ATOM 743 CB LEU A 51 -1.108 -2.292 -3.561 1.00 64.52 C ATOM 744 CG LEU A 51 -1.465 -3.761 -3.947 1.00 74.33 C ATOM 745 CD1 LEU A 51 -2.671 -4.274 -3.136 1.00 42.52 C ATOM 746 CD2 LEU A 51 -1.719 -3.898 -5.466 1.00 24.22 C ATOM 0 H LEU A 51 -0.062 -0.124 -2.470 1.00 74.12 H new ATOM 0 HA LEU A 51 -1.646 -2.428 -1.468 1.00 45.42 H new ATOM 0 HB2 LEU A 51 -1.934 -1.646 -3.857 1.00 64.52 H new ATOM 0 HB3 LEU A 51 -0.238 -1.983 -4.141 1.00 64.52 H new ATOM 0 HG LEU A 51 -0.606 -4.383 -3.697 1.00 74.33 H new ATOM 0 HD11 LEU A 51 -2.895 -5.300 -3.427 1.00 42.52 H new ATOM 0 HD12 LEU A 51 -2.434 -4.242 -2.072 1.00 42.52 H new ATOM 0 HD13 LEU A 51 -3.537 -3.643 -3.334 1.00 42.52 H new ATOM 0 HD21 LEU A 51 -1.965 -4.933 -5.702 1.00 24.22 H new ATOM 0 HD22 LEU A 51 -2.548 -3.253 -5.756 1.00 24.22 H new ATOM 0 HD23 LEU A 51 -0.823 -3.605 -6.013 1.00 24.22 H new ATOM 758 N LEU A 52 0.299 -3.649 -0.554 1.00 1.34 N ATOM 759 CA LEU A 52 1.395 -4.465 0.016 1.00 64.54 C ATOM 760 C LEU A 52 1.436 -5.881 -0.607 1.00 4.23 C ATOM 761 O LEU A 52 0.391 -6.501 -0.839 1.00 42.44 O ATOM 762 CB LEU A 52 1.255 -4.567 1.560 1.00 63.34 C ATOM 763 CG LEU A 52 1.358 -3.218 2.350 1.00 15.42 C ATOM 764 CD1 LEU A 52 1.186 -3.444 3.866 1.00 61.11 C ATOM 765 CD2 LEU A 52 2.689 -2.482 2.051 1.00 22.15 C ATOM 0 H LEU A 52 -0.591 -3.771 -0.072 1.00 1.34 H new ATOM 0 HA LEU A 52 2.333 -3.964 -0.225 1.00 64.54 H new ATOM 0 HB2 LEU A 52 0.293 -5.026 1.788 1.00 63.34 H new ATOM 0 HB3 LEU A 52 2.026 -5.242 1.931 1.00 63.34 H new ATOM 0 HG LEU A 52 0.543 -2.581 2.008 1.00 15.42 H new ATOM 0 HD11 LEU A 52 1.262 -2.490 4.387 1.00 61.11 H new ATOM 0 HD12 LEU A 52 0.208 -3.886 4.059 1.00 61.11 H new ATOM 0 HD13 LEU A 52 1.965 -4.116 4.224 1.00 61.11 H new ATOM 0 HD21 LEU A 52 2.725 -1.551 2.616 1.00 22.15 H new ATOM 0 HD22 LEU A 52 3.528 -3.115 2.341 1.00 22.15 H new ATOM 0 HD23 LEU A 52 2.752 -2.262 0.985 1.00 22.15 H new ATOM 777 N GLY A 53 2.664 -6.377 -0.864 1.00 21.02 N ATOM 778 CA GLY A 53 2.886 -7.727 -1.410 1.00 60.30 C ATOM 779 C GLY A 53 3.011 -7.735 -2.933 1.00 22.50 C ATOM 780 O GLY A 53 2.609 -8.698 -3.601 1.00 3.10 O ATOM 0 H GLY A 53 3.524 -5.854 -0.699 1.00 21.02 H new ATOM 0 HA2 GLY A 53 3.792 -8.146 -0.973 1.00 60.30 H new ATOM 0 HA3 GLY A 53 2.060 -8.374 -1.114 1.00 60.30 H new ATOM 784 N VAL A 54 3.581 -6.654 -3.489 1.00 35.24 N ATOM 785 CA VAL A 54 3.816 -6.511 -4.944 1.00 11.50 C ATOM 786 C VAL A 54 5.323 -6.508 -5.253 1.00 12.50 C ATOM 787 O VAL A 54 6.119 -5.979 -4.478 1.00 43.34 O ATOM 788 CB VAL A 54 3.173 -5.185 -5.486 1.00 30.20 C ATOM 789 CG1 VAL A 54 3.432 -4.985 -7.006 1.00 43.20 C ATOM 790 CG2 VAL A 54 1.664 -5.153 -5.184 1.00 11.13 C ATOM 0 H VAL A 54 3.894 -5.850 -2.945 1.00 35.24 H new ATOM 0 HA VAL A 54 3.349 -7.362 -5.440 1.00 11.50 H new ATOM 0 HB VAL A 54 3.655 -4.357 -4.966 1.00 30.20 H new ATOM 0 HG11 VAL A 54 2.968 -4.055 -7.335 1.00 43.20 H new ATOM 0 HG12 VAL A 54 4.506 -4.940 -7.189 1.00 43.20 H new ATOM 0 HG13 VAL A 54 3.004 -5.820 -7.561 1.00 43.20 H new ATOM 0 HG21 VAL A 54 1.236 -4.227 -5.567 1.00 11.13 H new ATOM 0 HG22 VAL A 54 1.179 -6.003 -5.664 1.00 11.13 H new ATOM 0 HG23 VAL A 54 1.507 -5.207 -4.107 1.00 11.13 H new ATOM 800 N ASP A 55 5.690 -7.103 -6.393 1.00 21.42 N ATOM 801 CA ASP A 55 7.065 -7.114 -6.913 1.00 14.44 C ATOM 802 C ASP A 55 7.038 -6.539 -8.345 1.00 22.43 C ATOM 803 O ASP A 55 5.967 -6.444 -8.950 1.00 24.45 O ATOM 804 CB ASP A 55 7.610 -8.561 -6.889 1.00 54.23 C ATOM 805 CG ASP A 55 9.141 -8.634 -6.811 1.00 34.23 C ATOM 806 OD1 ASP A 55 9.811 -8.591 -7.866 1.00 62.54 O ATOM 807 OD2 ASP A 55 9.675 -8.722 -5.684 1.00 53.53 O ATOM 0 H ASP A 55 5.030 -7.599 -6.992 1.00 21.42 H new ATOM 0 HA ASP A 55 7.726 -6.503 -6.298 1.00 14.44 H new ATOM 0 HB2 ASP A 55 7.184 -9.088 -6.035 1.00 54.23 H new ATOM 0 HB3 ASP A 55 7.274 -9.083 -7.785 1.00 54.23 H new ATOM 812 N TRP A 56 8.202 -6.150 -8.884 1.00 71.15 N ATOM 813 CA TRP A 56 8.273 -5.507 -10.219 1.00 1.33 C ATOM 814 C TRP A 56 9.648 -5.706 -10.897 1.00 21.31 C ATOM 815 O TRP A 56 10.695 -5.608 -10.250 1.00 42.23 O ATOM 816 CB TRP A 56 7.877 -3.997 -10.140 1.00 24.10 C ATOM 817 CG TRP A 56 8.562 -3.210 -9.037 1.00 63.14 C ATOM 818 CD1 TRP A 56 9.799 -2.626 -9.069 1.00 65.25 C ATOM 819 CD2 TRP A 56 8.022 -2.912 -7.736 1.00 31.14 C ATOM 820 NE1 TRP A 56 10.068 -2.021 -7.867 1.00 33.21 N ATOM 821 CE2 TRP A 56 8.993 -2.178 -7.037 1.00 5.44 C ATOM 822 CE3 TRP A 56 6.815 -3.216 -7.092 1.00 30.13 C ATOM 823 CZ2 TRP A 56 8.795 -1.727 -5.735 1.00 14.34 C ATOM 824 CZ3 TRP A 56 6.615 -2.769 -5.801 1.00 11.02 C ATOM 825 CH2 TRP A 56 7.605 -2.036 -5.131 1.00 52.33 C ATOM 0 H TRP A 56 9.106 -6.265 -8.426 1.00 71.15 H new ATOM 0 HA TRP A 56 7.543 -6.008 -10.854 1.00 1.33 H new ATOM 0 HB2 TRP A 56 8.105 -3.527 -11.096 1.00 24.10 H new ATOM 0 HB3 TRP A 56 6.798 -3.927 -10.000 1.00 24.10 H new ATOM 0 HD1 TRP A 56 10.467 -2.639 -9.918 1.00 65.25 H new ATOM 0 HE1 TRP A 56 10.932 -1.532 -7.631 1.00 33.21 H new ATOM 0 HE3 TRP A 56 6.053 -3.791 -7.598 1.00 30.13 H new ATOM 0 HZ2 TRP A 56 9.552 -1.154 -5.220 1.00 14.34 H new ATOM 0 HZ3 TRP A 56 5.683 -2.987 -5.300 1.00 11.02 H new ATOM 0 HH2 TRP A 56 7.426 -1.708 -4.118 1.00 52.33 H new ATOM 836 N ALA A 57 9.619 -5.982 -12.220 1.00 24.53 N ATOM 837 CA ALA A 57 10.832 -6.245 -13.036 1.00 72.23 C ATOM 838 C ALA A 57 10.738 -5.557 -14.421 1.00 21.45 C ATOM 839 O ALA A 57 9.645 -5.360 -14.952 1.00 42.13 O ATOM 840 CB ALA A 57 11.034 -7.764 -13.200 1.00 13.03 C ATOM 0 H ALA A 57 8.753 -6.029 -12.756 1.00 24.53 H new ATOM 0 HA ALA A 57 11.693 -5.825 -12.516 1.00 72.23 H new ATOM 0 HB1 ALA A 57 11.925 -7.950 -13.799 1.00 13.03 H new ATOM 0 HB2 ALA A 57 11.154 -8.223 -12.219 1.00 13.03 H new ATOM 0 HB3 ALA A 57 10.165 -8.195 -13.698 1.00 13.03 H new ATOM 846 N ILE A 58 11.900 -5.212 -15.002 1.00 73.25 N ATOM 847 CA ILE A 58 11.989 -4.496 -16.302 1.00 51.33 C ATOM 848 C ILE A 58 12.092 -5.489 -17.492 1.00 63.32 C ATOM 849 O ILE A 58 12.904 -6.421 -17.452 1.00 3.24 O ATOM 850 CB ILE A 58 13.234 -3.528 -16.297 1.00 13.24 C ATOM 851 CG1 ILE A 58 13.143 -2.503 -15.116 1.00 72.45 C ATOM 852 CG2 ILE A 58 13.410 -2.791 -17.649 1.00 11.43 C ATOM 853 CD1 ILE A 58 11.947 -1.557 -15.165 1.00 45.23 C ATOM 0 H ILE A 58 12.809 -5.419 -14.589 1.00 73.25 H new ATOM 0 HA ILE A 58 11.076 -3.914 -16.430 1.00 51.33 H new ATOM 0 HB ILE A 58 14.118 -4.149 -16.151 1.00 13.24 H new ATOM 0 HG12 ILE A 58 13.109 -3.057 -14.178 1.00 72.45 H new ATOM 0 HG13 ILE A 58 14.056 -1.908 -15.102 1.00 72.45 H new ATOM 0 HG21 ILE A 58 14.280 -2.136 -17.596 1.00 11.43 H new ATOM 0 HG22 ILE A 58 13.553 -3.521 -18.445 1.00 11.43 H new ATOM 0 HG23 ILE A 58 12.521 -2.196 -17.858 1.00 11.43 H new ATOM 0 HD11 ILE A 58 11.976 -0.889 -14.304 1.00 45.23 H new ATOM 0 HD12 ILE A 58 11.985 -0.969 -16.082 1.00 45.23 H new ATOM 0 HD13 ILE A 58 11.024 -2.136 -15.143 1.00 45.23 H new ATOM 865 N ASN A 59 11.271 -5.282 -18.547 1.00 1.15 N ATOM 866 CA ASN A 59 11.321 -6.108 -19.786 1.00 52.31 C ATOM 867 C ASN A 59 12.401 -5.583 -20.786 1.00 21.42 C ATOM 868 O ASN A 59 13.191 -4.692 -20.445 1.00 3.33 O ATOM 869 CB ASN A 59 9.904 -6.176 -20.448 1.00 3.40 C ATOM 870 CG ASN A 59 9.307 -4.825 -20.879 1.00 0.50 C ATOM 871 OD1 ASN A 59 10.008 -3.871 -21.167 1.00 43.44 O ATOM 872 ND2 ASN A 59 7.998 -4.747 -20.956 1.00 15.31 N ATOM 0 H ASN A 59 10.562 -4.549 -18.569 1.00 1.15 H new ATOM 0 HA ASN A 59 11.617 -7.120 -19.510 1.00 52.31 H new ATOM 0 HB2 ASN A 59 9.962 -6.823 -21.323 1.00 3.40 H new ATOM 0 HB3 ASN A 59 9.217 -6.649 -19.746 1.00 3.40 H new ATOM 0 HD21 ASN A 59 7.556 -3.880 -21.260 1.00 15.31 H new ATOM 0 HD22 ASN A 59 7.424 -5.554 -20.712 1.00 15.31 H new ATOM 879 N ASP A 60 12.431 -6.147 -22.016 1.00 11.21 N ATOM 880 CA ASP A 60 13.370 -5.712 -23.095 1.00 22.34 C ATOM 881 C ASP A 60 13.180 -4.219 -23.485 1.00 52.14 C ATOM 882 O ASP A 60 14.154 -3.507 -23.754 1.00 24.32 O ATOM 883 CB ASP A 60 13.183 -6.597 -24.355 1.00 41.40 C ATOM 884 CG ASP A 60 13.595 -8.061 -24.136 1.00 4.14 C ATOM 885 OD1 ASP A 60 12.753 -8.878 -23.707 1.00 61.42 O ATOM 886 OD2 ASP A 60 14.764 -8.400 -24.397 1.00 14.34 O ATOM 0 H ASP A 60 11.814 -6.910 -22.294 1.00 11.21 H new ATOM 0 HA ASP A 60 14.379 -5.826 -22.699 1.00 22.34 H new ATOM 0 HB2 ASP A 60 12.138 -6.563 -24.662 1.00 41.40 H new ATOM 0 HB3 ASP A 60 13.770 -6.180 -25.174 1.00 41.40 H new ATOM 891 N LYS A 61 11.918 -3.762 -23.499 1.00 32.43 N ATOM 892 CA LYS A 61 11.548 -2.400 -23.953 1.00 33.14 C ATOM 893 C LYS A 61 11.863 -1.319 -22.886 1.00 32.44 C ATOM 894 O LYS A 61 12.147 -0.168 -23.230 1.00 14.15 O ATOM 895 CB LYS A 61 10.044 -2.369 -24.324 1.00 13.51 C ATOM 896 CG LYS A 61 9.628 -3.409 -25.393 1.00 51.02 C ATOM 897 CD LYS A 61 8.131 -3.319 -25.780 1.00 50.34 C ATOM 898 CE LYS A 61 7.754 -1.961 -26.414 1.00 34.33 C ATOM 899 NZ LYS A 61 8.502 -1.687 -27.672 1.00 63.22 N ATOM 0 H LYS A 61 11.121 -4.322 -23.197 1.00 32.43 H new ATOM 0 HA LYS A 61 12.150 -2.165 -24.831 1.00 33.14 H new ATOM 0 HB2 LYS A 61 9.456 -2.538 -23.422 1.00 13.51 H new ATOM 0 HB3 LYS A 61 9.792 -1.372 -24.687 1.00 13.51 H new ATOM 0 HG2 LYS A 61 10.237 -3.267 -26.286 1.00 51.02 H new ATOM 0 HG3 LYS A 61 9.841 -4.410 -25.019 1.00 51.02 H new ATOM 0 HD2 LYS A 61 7.893 -4.120 -26.480 1.00 50.34 H new ATOM 0 HD3 LYS A 61 7.521 -3.481 -24.891 1.00 50.34 H new ATOM 0 HE2 LYS A 61 6.684 -1.946 -26.622 1.00 34.33 H new ATOM 0 HE3 LYS A 61 7.951 -1.163 -25.698 1.00 34.33 H new ATOM 0 HZ1 LYS A 61 8.151 -0.806 -28.100 1.00 63.22 H new ATOM 0 HZ2 LYS A 61 9.515 -1.589 -27.459 1.00 63.22 H new ATOM 0 HZ3 LYS A 61 8.363 -2.474 -28.337 1.00 63.22 H new ATOM 913 N GLY A 62 11.819 -1.702 -21.596 1.00 10.34 N ATOM 914 CA GLY A 62 12.083 -0.771 -20.478 1.00 32.23 C ATOM 915 C GLY A 62 10.868 -0.494 -19.573 1.00 63.50 C ATOM 916 O GLY A 62 10.925 0.398 -18.718 1.00 21.41 O ATOM 0 H GLY A 62 11.602 -2.654 -21.300 1.00 10.34 H new ATOM 0 HA2 GLY A 62 12.889 -1.177 -19.867 1.00 32.23 H new ATOM 0 HA3 GLY A 62 12.438 0.175 -20.887 1.00 32.23 H new ATOM 920 N ASP A 63 9.773 -1.255 -19.757 1.00 45.43 N ATOM 921 CA ASP A 63 8.541 -1.120 -18.941 1.00 50.24 C ATOM 922 C ASP A 63 8.686 -1.838 -17.577 1.00 51.43 C ATOM 923 O ASP A 63 9.224 -2.952 -17.503 1.00 24.21 O ATOM 924 CB ASP A 63 7.324 -1.711 -19.695 1.00 42.02 C ATOM 925 CG ASP A 63 7.124 -1.115 -21.096 1.00 14.44 C ATOM 926 OD1 ASP A 63 6.414 -0.090 -21.234 1.00 31.15 O ATOM 927 OD2 ASP A 63 7.673 -1.673 -22.072 1.00 53.44 O ATOM 0 H ASP A 63 9.712 -1.980 -20.472 1.00 45.43 H new ATOM 0 HA ASP A 63 8.384 -0.056 -18.764 1.00 50.24 H new ATOM 0 HB2 ASP A 63 7.450 -2.790 -19.782 1.00 42.02 H new ATOM 0 HB3 ASP A 63 6.423 -1.542 -19.105 1.00 42.02 H new ATOM 932 N THR A 64 8.187 -1.190 -16.512 1.00 21.20 N ATOM 933 CA THR A 64 8.134 -1.777 -15.156 1.00 62.55 C ATOM 934 C THR A 64 6.866 -2.656 -15.020 1.00 40.12 C ATOM 935 O THR A 64 5.741 -2.142 -15.018 1.00 21.42 O ATOM 936 CB THR A 64 8.139 -0.660 -14.049 1.00 61.34 C ATOM 937 OG1 THR A 64 9.222 0.258 -14.279 1.00 54.35 O ATOM 938 CG2 THR A 64 8.286 -1.249 -12.634 1.00 22.12 C ATOM 0 H THR A 64 7.808 -0.244 -16.563 1.00 21.20 H new ATOM 0 HA THR A 64 9.022 -2.392 -15.013 1.00 62.55 H new ATOM 0 HB THR A 64 7.181 -0.145 -14.112 1.00 61.34 H new ATOM 0 HG1 THR A 64 9.216 0.951 -13.586 1.00 54.35 H new ATOM 0 HG21 THR A 64 8.285 -0.442 -11.902 1.00 22.12 H new ATOM 0 HG22 THR A 64 7.454 -1.923 -12.432 1.00 22.12 H new ATOM 0 HG23 THR A 64 9.224 -1.800 -12.565 1.00 22.12 H new ATOM 946 N VAL A 65 7.061 -3.982 -14.920 1.00 30.04 N ATOM 947 CA VAL A 65 5.962 -4.975 -14.909 1.00 72.14 C ATOM 948 C VAL A 65 5.709 -5.463 -13.463 1.00 31.20 C ATOM 949 O VAL A 65 6.571 -6.114 -12.866 1.00 5.21 O ATOM 950 CB VAL A 65 6.293 -6.209 -15.833 1.00 41.25 C ATOM 951 CG1 VAL A 65 5.089 -7.191 -15.921 1.00 72.11 C ATOM 952 CG2 VAL A 65 6.756 -5.751 -17.244 1.00 54.25 C ATOM 0 H VAL A 65 7.988 -4.401 -14.844 1.00 30.04 H new ATOM 0 HA VAL A 65 5.067 -4.489 -15.297 1.00 72.14 H new ATOM 0 HB VAL A 65 7.122 -6.749 -15.375 1.00 41.25 H new ATOM 0 HG11 VAL A 65 5.350 -8.030 -16.565 1.00 72.11 H new ATOM 0 HG12 VAL A 65 4.847 -7.560 -14.924 1.00 72.11 H new ATOM 0 HG13 VAL A 65 4.225 -6.671 -16.335 1.00 72.11 H new ATOM 0 HG21 VAL A 65 6.976 -6.625 -17.856 1.00 54.25 H new ATOM 0 HG22 VAL A 65 5.965 -5.168 -17.715 1.00 54.25 H new ATOM 0 HG23 VAL A 65 7.652 -5.138 -17.152 1.00 54.25 H new ATOM 962 N TYR A 66 4.517 -5.164 -12.922 1.00 70.45 N ATOM 963 CA TYR A 66 4.171 -5.453 -11.510 1.00 0.53 C ATOM 964 C TYR A 66 3.465 -6.823 -11.379 1.00 4.11 C ATOM 965 O TYR A 66 2.355 -7.009 -11.892 1.00 23.10 O ATOM 966 CB TYR A 66 3.258 -4.330 -10.944 1.00 55.21 C ATOM 967 CG TYR A 66 3.907 -2.936 -10.884 1.00 11.14 C ATOM 968 CD1 TYR A 66 4.111 -2.189 -12.043 1.00 44.01 C ATOM 969 CD2 TYR A 66 4.291 -2.355 -9.668 1.00 23.42 C ATOM 970 CE1 TYR A 66 4.674 -0.932 -11.999 1.00 74.43 C ATOM 971 CE2 TYR A 66 4.852 -1.092 -9.620 1.00 35.35 C ATOM 972 CZ TYR A 66 5.039 -0.383 -10.788 1.00 1.23 C ATOM 973 OH TYR A 66 5.591 0.879 -10.749 1.00 32.22 O ATOM 0 H TYR A 66 3.764 -4.716 -13.445 1.00 70.45 H new ATOM 0 HA TYR A 66 5.096 -5.489 -10.935 1.00 0.53 H new ATOM 0 HB2 TYR A 66 2.358 -4.270 -11.557 1.00 55.21 H new ATOM 0 HB3 TYR A 66 2.941 -4.611 -9.940 1.00 55.21 H new ATOM 0 HD1 TYR A 66 3.821 -2.605 -12.997 1.00 44.01 H new ATOM 0 HD2 TYR A 66 4.146 -2.905 -8.750 1.00 23.42 H new ATOM 0 HE1 TYR A 66 4.829 -0.377 -12.913 1.00 74.43 H new ATOM 0 HE2 TYR A 66 5.142 -0.663 -8.672 1.00 35.35 H new ATOM 0 HH TYR A 66 5.791 1.120 -9.820 1.00 32.22 H new ATOM 983 N ARG A 67 4.110 -7.779 -10.684 1.00 40.42 N ATOM 984 CA ARG A 67 3.574 -9.142 -10.449 1.00 25.43 C ATOM 985 C ARG A 67 3.198 -9.354 -8.956 1.00 42.14 C ATOM 986 O ARG A 67 3.777 -8.710 -8.077 1.00 53.34 O ATOM 987 CB ARG A 67 4.631 -10.198 -10.874 1.00 1.14 C ATOM 988 CG ARG A 67 4.966 -10.195 -12.381 1.00 10.24 C ATOM 989 CD ARG A 67 5.891 -11.365 -12.783 1.00 5.14 C ATOM 990 NE ARG A 67 6.041 -11.496 -14.249 1.00 32.42 N ATOM 991 CZ ARG A 67 5.357 -12.327 -15.018 1.00 21.12 C ATOM 992 NH1 ARG A 67 4.444 -13.114 -14.531 1.00 33.53 N ATOM 993 NH2 ARG A 67 5.600 -12.367 -16.284 1.00 45.03 N ATOM 0 H ARG A 67 5.027 -7.630 -10.264 1.00 40.42 H new ATOM 0 HA ARG A 67 2.670 -9.258 -11.047 1.00 25.43 H new ATOM 0 HB2 ARG A 67 5.548 -10.024 -10.310 1.00 1.14 H new ATOM 0 HB3 ARG A 67 4.269 -11.188 -10.597 1.00 1.14 H new ATOM 0 HG2 ARG A 67 4.042 -10.253 -12.956 1.00 10.24 H new ATOM 0 HG3 ARG A 67 5.445 -9.251 -12.642 1.00 10.24 H new ATOM 0 HD2 ARG A 67 6.873 -11.218 -12.333 1.00 5.14 H new ATOM 0 HD3 ARG A 67 5.491 -12.295 -12.378 1.00 5.14 H new ATOM 0 HE ARG A 67 6.729 -10.896 -14.704 1.00 32.42 H new ATOM 0 HH11 ARG A 67 4.239 -13.101 -13.532 1.00 33.53 H new ATOM 0 HH12 ARG A 67 3.932 -13.745 -15.148 1.00 33.53 H new ATOM 0 HH21 ARG A 67 6.315 -11.761 -16.685 1.00 45.03 H new ATOM 0 HH22 ARG A 67 5.077 -13.005 -16.884 1.00 45.03 H new ATOM 1007 N PRO A 68 2.224 -10.268 -8.641 1.00 14.52 N ATOM 1008 CA PRO A 68 1.888 -10.615 -7.243 1.00 14.40 C ATOM 1009 C PRO A 68 2.865 -11.660 -6.622 1.00 74.02 C ATOM 1010 O PRO A 68 2.988 -12.790 -7.106 1.00 11.12 O ATOM 1011 CB PRO A 68 0.451 -11.169 -7.369 1.00 44.35 C ATOM 1012 CG PRO A 68 0.395 -11.795 -8.736 1.00 73.52 C ATOM 1013 CD PRO A 68 1.355 -11.005 -9.613 1.00 23.44 C ATOM 0 HA PRO A 68 1.970 -9.763 -6.568 1.00 14.40 H new ATOM 0 HB2 PRO A 68 0.241 -11.902 -6.590 1.00 44.35 H new ATOM 0 HB3 PRO A 68 -0.289 -10.375 -7.268 1.00 44.35 H new ATOM 0 HG2 PRO A 68 0.683 -12.845 -8.694 1.00 73.52 H new ATOM 0 HG3 PRO A 68 -0.617 -11.758 -9.138 1.00 73.52 H new ATOM 0 HD2 PRO A 68 1.943 -11.663 -10.252 1.00 23.44 H new ATOM 0 HD3 PRO A 68 0.821 -10.318 -10.269 1.00 23.44 H new ATOM 1021 N VAL A 69 3.593 -11.242 -5.573 1.00 53.20 N ATOM 1022 CA VAL A 69 4.381 -12.172 -4.714 1.00 23.25 C ATOM 1023 C VAL A 69 3.608 -12.509 -3.420 1.00 54.22 C ATOM 1024 O VAL A 69 3.752 -13.607 -2.862 1.00 34.51 O ATOM 1025 CB VAL A 69 5.820 -11.620 -4.368 1.00 31.12 C ATOM 1026 CG1 VAL A 69 6.760 -11.741 -5.593 1.00 20.23 C ATOM 1027 CG2 VAL A 69 5.771 -10.153 -3.850 1.00 31.35 C ATOM 0 H VAL A 69 3.659 -10.264 -5.290 1.00 53.20 H new ATOM 0 HA VAL A 69 4.523 -13.083 -5.295 1.00 23.25 H new ATOM 0 HB VAL A 69 6.220 -12.234 -3.561 1.00 31.12 H new ATOM 0 HG11 VAL A 69 7.746 -11.356 -5.334 1.00 20.23 H new ATOM 0 HG12 VAL A 69 6.845 -12.788 -5.885 1.00 20.23 H new ATOM 0 HG13 VAL A 69 6.352 -11.165 -6.423 1.00 20.23 H new ATOM 0 HG21 VAL A 69 6.782 -9.813 -3.624 1.00 31.35 H new ATOM 0 HG22 VAL A 69 5.335 -9.511 -4.616 1.00 31.35 H new ATOM 0 HG23 VAL A 69 5.162 -10.106 -2.947 1.00 31.35 H new ATOM 1037 N GLY A 70 2.786 -11.549 -2.965 1.00 43.14 N ATOM 1038 CA GLY A 70 1.975 -11.708 -1.756 1.00 24.24 C ATOM 1039 C GLY A 70 2.787 -11.531 -0.478 1.00 24.52 C ATOM 1040 O GLY A 70 3.976 -11.176 -0.519 1.00 2.40 O ATOM 0 H GLY A 70 2.668 -10.647 -3.425 1.00 43.14 H new ATOM 0 HA2 GLY A 70 1.163 -10.981 -1.770 1.00 24.24 H new ATOM 0 HA3 GLY A 70 1.518 -12.697 -1.757 1.00 24.24 H new ATOM 1044 N LEU A 71 2.143 -11.743 0.674 1.00 73.22 N ATOM 1045 CA LEU A 71 2.809 -11.660 1.990 1.00 11.34 C ATOM 1046 C LEU A 71 2.826 -13.053 2.676 1.00 64.34 C ATOM 1047 O LEU A 71 1.828 -13.781 2.599 1.00 61.22 O ATOM 1048 CB LEU A 71 2.124 -10.589 2.894 1.00 42.34 C ATOM 1049 CG LEU A 71 1.969 -9.156 2.265 1.00 21.23 C ATOM 1050 CD1 LEU A 71 0.704 -9.041 1.393 1.00 14.33 C ATOM 1051 CD2 LEU A 71 1.993 -8.053 3.327 1.00 75.40 C ATOM 0 H LEU A 71 1.151 -11.976 0.727 1.00 73.22 H new ATOM 0 HA LEU A 71 3.842 -11.347 1.837 1.00 11.34 H new ATOM 0 HB2 LEU A 71 1.134 -10.953 3.169 1.00 42.34 H new ATOM 0 HB3 LEU A 71 2.698 -10.500 3.816 1.00 42.34 H new ATOM 0 HG LEU A 71 2.835 -9.014 1.619 1.00 21.23 H new ATOM 0 HD11 LEU A 71 0.638 -8.035 0.979 1.00 14.33 H new ATOM 0 HD12 LEU A 71 0.756 -9.765 0.580 1.00 14.33 H new ATOM 0 HD13 LEU A 71 -0.177 -9.242 2.002 1.00 14.33 H new ATOM 0 HD21 LEU A 71 1.883 -7.082 2.845 1.00 75.40 H new ATOM 0 HD22 LEU A 71 1.173 -8.205 4.028 1.00 75.40 H new ATOM 0 HD23 LEU A 71 2.941 -8.086 3.864 1.00 75.40 H new ATOM 1063 N PRO A 72 3.972 -13.452 3.340 1.00 20.04 N ATOM 1064 CA PRO A 72 4.094 -14.780 4.012 1.00 1.55 C ATOM 1065 C PRO A 72 3.164 -14.912 5.244 1.00 15.45 C ATOM 1066 O PRO A 72 2.647 -15.992 5.533 1.00 61.22 O ATOM 1067 CB PRO A 72 5.592 -14.835 4.418 1.00 3.13 C ATOM 1068 CG PRO A 72 5.997 -13.395 4.556 1.00 52.35 C ATOM 1069 CD PRO A 72 5.226 -12.651 3.486 1.00 31.25 C ATOM 0 HA PRO A 72 3.792 -15.602 3.363 1.00 1.55 H new ATOM 0 HB2 PRO A 72 5.730 -15.378 5.353 1.00 3.13 H new ATOM 0 HB3 PRO A 72 6.190 -15.345 3.662 1.00 3.13 H new ATOM 0 HG2 PRO A 72 5.757 -13.014 5.549 1.00 52.35 H new ATOM 0 HG3 PRO A 72 7.072 -13.275 4.420 1.00 52.35 H new ATOM 0 HD2 PRO A 72 5.014 -11.624 3.784 1.00 31.25 H new ATOM 0 HD3 PRO A 72 5.783 -12.603 2.550 1.00 31.25 H new ATOM 1077 N ASP A 73 2.954 -13.789 5.957 1.00 3.30 N ATOM 1078 CA ASP A 73 2.059 -13.710 7.131 1.00 35.40 C ATOM 1079 C ASP A 73 1.046 -12.541 6.940 1.00 22.30 C ATOM 1080 O ASP A 73 1.065 -11.572 7.701 1.00 61.14 O ATOM 1081 CB ASP A 73 2.912 -13.507 8.408 1.00 23.11 C ATOM 1082 CG ASP A 73 3.922 -14.636 8.643 1.00 25.53 C ATOM 1083 OD1 ASP A 73 3.511 -15.720 9.108 1.00 33.33 O ATOM 1084 OD2 ASP A 73 5.117 -14.461 8.327 1.00 43.15 O ATOM 0 H ASP A 73 3.405 -12.902 5.733 1.00 3.30 H new ATOM 0 HA ASP A 73 1.493 -14.636 7.234 1.00 35.40 H new ATOM 0 HB2 ASP A 73 3.446 -12.560 8.334 1.00 23.11 H new ATOM 0 HB3 ASP A 73 2.251 -13.434 9.271 1.00 23.11 H new ATOM 1089 N PRO A 74 0.110 -12.644 5.938 1.00 22.32 N ATOM 1090 CA PRO A 74 -0.680 -11.477 5.444 1.00 44.33 C ATOM 1091 C PRO A 74 -1.648 -10.882 6.506 1.00 4.41 C ATOM 1092 O PRO A 74 -1.831 -9.658 6.584 1.00 0.10 O ATOM 1093 CB PRO A 74 -1.427 -12.072 4.221 1.00 62.02 C ATOM 1094 CG PRO A 74 -1.554 -13.534 4.524 1.00 53.42 C ATOM 1095 CD PRO A 74 -0.288 -13.908 5.256 1.00 32.22 C ATOM 0 HA PRO A 74 -0.051 -10.621 5.197 1.00 44.33 H new ATOM 0 HB2 PRO A 74 -2.405 -11.609 4.091 1.00 62.02 H new ATOM 0 HB3 PRO A 74 -0.871 -11.906 3.299 1.00 62.02 H new ATOM 0 HG2 PRO A 74 -2.434 -13.733 5.136 1.00 53.42 H new ATOM 0 HG3 PRO A 74 -1.664 -14.116 3.609 1.00 53.42 H new ATOM 0 HD2 PRO A 74 -0.461 -14.712 5.971 1.00 32.22 H new ATOM 0 HD3 PRO A 74 0.485 -14.253 4.569 1.00 32.22 H new ATOM 1103 N ASP A 75 -2.233 -11.762 7.337 1.00 54.30 N ATOM 1104 CA ASP A 75 -3.131 -11.370 8.447 1.00 43.12 C ATOM 1105 C ASP A 75 -2.337 -10.631 9.547 1.00 50.30 C ATOM 1106 O ASP A 75 -2.791 -9.625 10.100 1.00 14.54 O ATOM 1107 CB ASP A 75 -3.806 -12.630 9.041 1.00 33.24 C ATOM 1108 CG ASP A 75 -4.540 -13.469 7.983 1.00 31.35 C ATOM 1109 OD1 ASP A 75 -3.874 -14.253 7.268 1.00 51.13 O ATOM 1110 OD2 ASP A 75 -5.779 -13.357 7.860 1.00 61.41 O ATOM 0 H ASP A 75 -2.098 -12.770 7.261 1.00 54.30 H new ATOM 0 HA ASP A 75 -3.897 -10.698 8.060 1.00 43.12 H new ATOM 0 HB2 ASP A 75 -3.050 -13.247 9.526 1.00 33.24 H new ATOM 0 HB3 ASP A 75 -4.514 -12.327 9.813 1.00 33.24 H new ATOM 1115 N LYS A 76 -1.122 -11.145 9.821 1.00 50.52 N ATOM 1116 CA LYS A 76 -0.230 -10.624 10.888 1.00 1.20 C ATOM 1117 C LYS A 76 0.339 -9.243 10.524 1.00 51.02 C ATOM 1118 O LYS A 76 0.519 -8.392 11.390 1.00 23.15 O ATOM 1119 CB LYS A 76 0.932 -11.613 11.162 1.00 63.14 C ATOM 1120 CG LYS A 76 0.522 -13.092 11.403 1.00 0.51 C ATOM 1121 CD LYS A 76 -0.368 -13.334 12.666 1.00 11.35 C ATOM 1122 CE LYS A 76 -1.892 -13.257 12.391 1.00 3.24 C ATOM 1123 NZ LYS A 76 -2.687 -13.408 13.624 1.00 23.33 N ATOM 0 H LYS A 76 -0.726 -11.935 9.311 1.00 50.52 H new ATOM 0 HA LYS A 76 -0.832 -10.519 11.791 1.00 1.20 H new ATOM 0 HB2 LYS A 76 1.619 -11.580 10.316 1.00 63.14 H new ATOM 0 HB3 LYS A 76 1.484 -11.262 12.034 1.00 63.14 H new ATOM 0 HG2 LYS A 76 -0.014 -13.452 10.525 1.00 0.51 H new ATOM 0 HG3 LYS A 76 1.426 -13.694 11.494 1.00 0.51 H new ATOM 0 HD2 LYS A 76 -0.134 -14.315 13.080 1.00 11.35 H new ATOM 0 HD3 LYS A 76 -0.109 -12.597 13.426 1.00 11.35 H new ATOM 0 HE2 LYS A 76 -2.128 -12.301 11.923 1.00 3.24 H new ATOM 0 HE3 LYS A 76 -2.172 -14.036 11.682 1.00 3.24 H new ATOM 0 HZ1 LYS A 76 -3.699 -13.350 13.393 1.00 23.33 H new ATOM 0 HZ2 LYS A 76 -2.483 -14.331 14.058 1.00 23.33 H new ATOM 0 HZ3 LYS A 76 -2.440 -12.650 14.291 1.00 23.33 H new ATOM 1137 N VAL A 77 0.617 -9.050 9.224 1.00 33.11 N ATOM 1138 CA VAL A 77 1.089 -7.765 8.670 1.00 60.22 C ATOM 1139 C VAL A 77 0.002 -6.679 8.802 1.00 3.05 C ATOM 1140 O VAL A 77 0.295 -5.547 9.178 1.00 44.24 O ATOM 1141 CB VAL A 77 1.506 -7.935 7.164 1.00 10.14 C ATOM 1142 CG1 VAL A 77 1.830 -6.565 6.496 1.00 30.11 C ATOM 1143 CG2 VAL A 77 2.699 -8.921 7.042 1.00 5.24 C ATOM 0 H VAL A 77 0.521 -9.784 8.522 1.00 33.11 H new ATOM 0 HA VAL A 77 1.962 -7.450 9.242 1.00 60.22 H new ATOM 0 HB VAL A 77 0.657 -8.356 6.626 1.00 10.14 H new ATOM 0 HG11 VAL A 77 2.114 -6.725 5.456 1.00 30.11 H new ATOM 0 HG12 VAL A 77 0.950 -5.923 6.537 1.00 30.11 H new ATOM 0 HG13 VAL A 77 2.653 -6.087 7.027 1.00 30.11 H new ATOM 0 HG21 VAL A 77 2.976 -9.029 5.993 1.00 5.24 H new ATOM 0 HG22 VAL A 77 3.549 -8.535 7.604 1.00 5.24 H new ATOM 0 HG23 VAL A 77 2.410 -9.893 7.442 1.00 5.24 H new ATOM 1153 N GLN A 78 -1.250 -7.057 8.496 1.00 42.32 N ATOM 1154 CA GLN A 78 -2.431 -6.178 8.649 1.00 31.44 C ATOM 1155 C GLN A 78 -2.578 -5.655 10.105 1.00 45.02 C ATOM 1156 O GLN A 78 -2.828 -4.468 10.333 1.00 22.44 O ATOM 1157 CB GLN A 78 -3.706 -6.956 8.217 1.00 5.31 C ATOM 1158 CG GLN A 78 -5.018 -6.162 8.350 1.00 34.23 C ATOM 1159 CD GLN A 78 -6.269 -6.921 7.901 1.00 54.12 C ATOM 1160 OE1 GLN A 78 -6.227 -7.761 7.014 1.00 65.41 O ATOM 1161 NE2 GLN A 78 -7.395 -6.613 8.508 1.00 34.11 N ATOM 0 H GLN A 78 -1.477 -7.983 8.134 1.00 42.32 H new ATOM 0 HA GLN A 78 -2.297 -5.306 8.009 1.00 31.44 H new ATOM 0 HB2 GLN A 78 -3.590 -7.269 7.179 1.00 5.31 H new ATOM 0 HB3 GLN A 78 -3.783 -7.863 8.817 1.00 5.31 H new ATOM 0 HG2 GLN A 78 -5.143 -5.864 9.391 1.00 34.23 H new ATOM 0 HG3 GLN A 78 -4.934 -5.246 7.764 1.00 34.23 H new ATOM 0 HE21 GLN A 78 -7.401 -5.908 9.245 1.00 34.11 H new ATOM 0 HE22 GLN A 78 -8.262 -7.079 8.242 1.00 34.11 H new ATOM 1170 N ARG A 79 -2.412 -6.569 11.069 1.00 44.31 N ATOM 1171 CA ARG A 79 -2.547 -6.263 12.519 1.00 53.01 C ATOM 1172 C ARG A 79 -1.330 -5.491 13.080 1.00 61.32 C ATOM 1173 O ARG A 79 -1.481 -4.609 13.935 1.00 54.34 O ATOM 1174 CB ARG A 79 -2.785 -7.569 13.316 1.00 31.30 C ATOM 1175 CG ARG A 79 -3.986 -8.430 12.837 1.00 33.42 C ATOM 1176 CD ARG A 79 -5.364 -7.712 12.918 1.00 24.42 C ATOM 1177 NE ARG A 79 -5.493 -6.602 11.945 1.00 52.01 N ATOM 1178 CZ ARG A 79 -6.226 -5.523 12.101 1.00 14.50 C ATOM 1179 NH1 ARG A 79 -6.988 -5.378 13.131 1.00 22.35 N ATOM 1180 NH2 ARG A 79 -6.166 -4.576 11.224 1.00 31.13 N ATOM 0 H ARG A 79 -2.180 -7.544 10.877 1.00 44.31 H new ATOM 0 HA ARG A 79 -3.410 -5.607 12.635 1.00 53.01 H new ATOM 0 HB2 ARG A 79 -1.881 -8.176 13.265 1.00 31.30 H new ATOM 0 HB3 ARG A 79 -2.938 -7.313 14.364 1.00 31.30 H new ATOM 0 HG2 ARG A 79 -3.810 -8.736 11.806 1.00 33.42 H new ATOM 0 HG3 ARG A 79 -4.028 -9.339 13.437 1.00 33.42 H new ATOM 0 HD2 ARG A 79 -6.157 -8.438 12.741 1.00 24.42 H new ATOM 0 HD3 ARG A 79 -5.507 -7.323 13.926 1.00 24.42 H new ATOM 0 HE ARG A 79 -4.965 -6.683 11.076 1.00 52.01 H new ATOM 0 HH11 ARG A 79 -7.029 -6.108 13.842 1.00 22.35 H new ATOM 0 HH12 ARG A 79 -7.550 -4.533 13.235 1.00 22.35 H new ATOM 0 HH21 ARG A 79 -5.552 -4.668 10.415 1.00 31.13 H new ATOM 0 HH22 ARG A 79 -6.733 -3.736 11.341 1.00 31.13 H new ATOM 1194 N ASP A 80 -0.127 -5.836 12.587 1.00 33.42 N ATOM 1195 CA ASP A 80 1.134 -5.167 12.981 1.00 1.04 C ATOM 1196 C ASP A 80 1.174 -3.726 12.430 1.00 73.54 C ATOM 1197 O ASP A 80 1.696 -2.821 13.080 1.00 41.21 O ATOM 1198 CB ASP A 80 2.361 -5.980 12.485 1.00 13.31 C ATOM 1199 CG ASP A 80 3.705 -5.406 12.978 1.00 73.22 C ATOM 1200 OD1 ASP A 80 3.959 -5.445 14.206 1.00 61.45 O ATOM 1201 OD2 ASP A 80 4.503 -4.907 12.154 1.00 60.11 O ATOM 0 H ASP A 80 0.002 -6.584 11.906 1.00 33.42 H new ATOM 0 HA ASP A 80 1.175 -5.119 14.069 1.00 1.04 H new ATOM 0 HB2 ASP A 80 2.267 -7.012 12.824 1.00 13.31 H new ATOM 0 HB3 ASP A 80 2.359 -6.001 11.395 1.00 13.31 H new ATOM 1206 N LEU A 81 0.604 -3.544 11.226 1.00 14.03 N ATOM 1207 CA LEU A 81 0.473 -2.228 10.576 1.00 11.00 C ATOM 1208 C LEU A 81 -0.574 -1.356 11.310 1.00 75.01 C ATOM 1209 O LEU A 81 -0.378 -0.155 11.476 1.00 3.13 O ATOM 1210 CB LEU A 81 0.090 -2.392 9.080 1.00 54.33 C ATOM 1211 CG LEU A 81 0.179 -1.098 8.203 1.00 5.05 C ATOM 1212 CD1 LEU A 81 1.624 -0.541 8.155 1.00 23.10 C ATOM 1213 CD2 LEU A 81 -0.367 -1.349 6.782 1.00 33.34 C ATOM 0 H LEU A 81 0.219 -4.310 10.673 1.00 14.03 H new ATOM 0 HA LEU A 81 1.438 -1.724 10.632 1.00 11.00 H new ATOM 0 HB2 LEU A 81 0.738 -3.150 8.641 1.00 54.33 H new ATOM 0 HB3 LEU A 81 -0.929 -2.774 9.026 1.00 54.33 H new ATOM 0 HG LEU A 81 -0.448 -0.341 8.674 1.00 5.05 H new ATOM 0 HD11 LEU A 81 1.648 0.357 7.537 1.00 23.10 H new ATOM 0 HD12 LEU A 81 1.953 -0.296 9.165 1.00 23.10 H new ATOM 0 HD13 LEU A 81 2.289 -1.292 7.729 1.00 23.10 H new ATOM 0 HD21 LEU A 81 -0.292 -0.433 6.196 1.00 33.34 H new ATOM 0 HD22 LEU A 81 0.216 -2.135 6.302 1.00 33.34 H new ATOM 0 HD23 LEU A 81 -1.411 -1.657 6.842 1.00 33.34 H new ATOM 1225 N ALA A 82 -1.683 -1.988 11.744 1.00 35.31 N ATOM 1226 CA ALA A 82 -2.742 -1.316 12.541 1.00 53.45 C ATOM 1227 C ALA A 82 -2.213 -0.844 13.921 1.00 34.40 C ATOM 1228 O ALA A 82 -2.640 0.195 14.444 1.00 63.43 O ATOM 1229 CB ALA A 82 -3.949 -2.252 12.714 1.00 33.20 C ATOM 0 H ALA A 82 -1.874 -2.972 11.556 1.00 35.31 H new ATOM 0 HA ALA A 82 -3.057 -0.427 11.994 1.00 53.45 H new ATOM 0 HB1 ALA A 82 -4.719 -1.749 13.300 1.00 33.20 H new ATOM 0 HB2 ALA A 82 -4.351 -2.513 11.735 1.00 33.20 H new ATOM 0 HB3 ALA A 82 -3.635 -3.159 13.231 1.00 33.20 H new ATOM 1235 N SER A 83 -1.280 -1.628 14.496 1.00 3.41 N ATOM 1236 CA SER A 83 -0.619 -1.297 15.776 1.00 2.40 C ATOM 1237 C SER A 83 0.383 -0.125 15.610 1.00 52.42 C ATOM 1238 O SER A 83 0.292 0.887 16.319 1.00 10.40 O ATOM 1239 CB SER A 83 0.108 -2.547 16.339 1.00 64.45 C ATOM 1240 OG SER A 83 0.757 -2.270 17.575 1.00 41.41 O ATOM 0 H SER A 83 -0.963 -2.507 14.088 1.00 3.41 H new ATOM 0 HA SER A 83 -1.389 -0.981 16.480 1.00 2.40 H new ATOM 0 HB2 SER A 83 -0.612 -3.353 16.479 1.00 64.45 H new ATOM 0 HB3 SER A 83 0.842 -2.898 15.614 1.00 64.45 H new ATOM 0 HG SER A 83 1.202 -3.080 17.900 1.00 41.41 H new ATOM 1246 N GLN A 84 1.314 -0.259 14.641 1.00 2.20 N ATOM 1247 CA GLN A 84 2.405 0.725 14.430 1.00 1.32 C ATOM 1248 C GLN A 84 1.903 2.074 13.844 1.00 52.33 C ATOM 1249 O GLN A 84 2.463 3.110 14.156 1.00 43.12 O ATOM 1250 CB GLN A 84 3.538 0.119 13.544 1.00 14.23 C ATOM 1251 CG GLN A 84 3.141 -0.181 12.089 1.00 65.33 C ATOM 1252 CD GLN A 84 4.257 -0.816 11.248 1.00 51.15 C ATOM 1253 OE1 GLN A 84 5.063 -0.124 10.633 1.00 71.30 O ATOM 1254 NE2 GLN A 84 4.305 -2.136 11.209 1.00 54.42 N ATOM 0 H GLN A 84 1.334 -1.042 13.988 1.00 2.20 H new ATOM 0 HA GLN A 84 2.813 0.950 15.415 1.00 1.32 H new ATOM 0 HB2 GLN A 84 4.382 0.809 13.539 1.00 14.23 H new ATOM 0 HB3 GLN A 84 3.885 -0.805 14.007 1.00 14.23 H new ATOM 0 HG2 GLN A 84 2.279 -0.848 12.090 1.00 65.33 H new ATOM 0 HG3 GLN A 84 2.826 0.747 11.612 1.00 65.33 H new ATOM 0 HE21 GLN A 84 3.623 -2.687 11.730 1.00 54.42 H new ATOM 0 HE22 GLN A 84 5.025 -2.604 10.658 1.00 54.42 H new ATOM 1263 N CYS A 85 0.845 2.067 13.004 1.00 21.42 N ATOM 1264 CA CYS A 85 0.311 3.323 12.380 1.00 61.10 C ATOM 1265 C CYS A 85 -0.269 4.294 13.428 1.00 75.23 C ATOM 1266 O CYS A 85 -0.223 5.516 13.256 1.00 23.43 O ATOM 1267 CB CYS A 85 -0.759 3.011 11.313 1.00 44.21 C ATOM 1268 SG CYS A 85 -2.240 2.199 11.959 1.00 50.43 S ATOM 0 H CYS A 85 0.341 1.222 12.737 1.00 21.42 H new ATOM 0 HA CYS A 85 1.160 3.810 11.900 1.00 61.10 H new ATOM 0 HB2 CYS A 85 -1.052 3.941 10.826 1.00 44.21 H new ATOM 0 HB3 CYS A 85 -0.316 2.376 10.546 1.00 44.21 H new ATOM 0 HG CYS A 85 -3.223 3.049 11.988 1.00 50.43 H new ATOM 1274 N ALA A 86 -0.813 3.731 14.512 1.00 13.23 N ATOM 1275 CA ALA A 86 -1.355 4.514 15.638 1.00 43.44 C ATOM 1276 C ALA A 86 -0.245 4.988 16.618 1.00 24.21 C ATOM 1277 O ALA A 86 -0.398 6.011 17.292 1.00 74.11 O ATOM 1278 CB ALA A 86 -2.403 3.673 16.373 1.00 13.21 C ATOM 0 H ALA A 86 -0.892 2.722 14.638 1.00 13.23 H new ATOM 0 HA ALA A 86 -1.817 5.415 15.235 1.00 43.44 H new ATOM 0 HB1 ALA A 86 -2.809 4.245 17.207 1.00 13.21 H new ATOM 0 HB2 ALA A 86 -3.208 3.413 15.686 1.00 13.21 H new ATOM 0 HB3 ALA A 86 -1.939 2.761 16.750 1.00 13.21 H new ATOM 1284 N SER A 87 0.873 4.231 16.687 1.00 32.21 N ATOM 1285 CA SER A 87 1.975 4.493 17.652 1.00 14.02 C ATOM 1286 C SER A 87 3.082 5.409 17.063 1.00 15.13 C ATOM 1287 O SER A 87 3.687 6.193 17.789 1.00 53.14 O ATOM 1288 CB SER A 87 2.597 3.157 18.119 1.00 65.20 C ATOM 1289 OG SER A 87 3.589 3.353 19.122 1.00 74.21 O ATOM 0 H SER A 87 1.040 3.427 16.083 1.00 32.21 H new ATOM 0 HA SER A 87 1.537 5.019 18.500 1.00 14.02 H new ATOM 0 HB2 SER A 87 1.812 2.508 18.507 1.00 65.20 H new ATOM 0 HB3 SER A 87 3.041 2.645 17.265 1.00 65.20 H new ATOM 0 HG SER A 87 3.957 2.486 19.392 1.00 74.21 H new ATOM 1295 N MET A 88 3.352 5.298 15.751 1.00 24.51 N ATOM 1296 CA MET A 88 4.423 6.076 15.074 1.00 75.01 C ATOM 1297 C MET A 88 3.959 7.512 14.761 1.00 34.52 C ATOM 1298 O MET A 88 4.678 8.484 15.032 1.00 72.22 O ATOM 1299 CB MET A 88 4.870 5.391 13.751 1.00 24.40 C ATOM 1300 CG MET A 88 5.536 4.018 13.915 1.00 3.12 C ATOM 1301 SD MET A 88 6.216 3.389 12.362 1.00 13.33 S ATOM 1302 CE MET A 88 7.436 4.647 11.964 1.00 72.51 C ATOM 0 H MET A 88 2.842 4.673 15.127 1.00 24.51 H new ATOM 0 HA MET A 88 5.267 6.113 15.762 1.00 75.01 H new ATOM 0 HB2 MET A 88 3.998 5.279 13.107 1.00 24.40 H new ATOM 0 HB3 MET A 88 5.564 6.054 13.235 1.00 24.40 H new ATOM 0 HG2 MET A 88 6.334 4.091 14.654 1.00 3.12 H new ATOM 0 HG3 MET A 88 4.806 3.307 14.303 1.00 3.12 H new ATOM 0 HE1 MET A 88 8.238 4.202 11.375 1.00 72.51 H new ATOM 0 HE2 MET A 88 6.963 5.444 11.390 1.00 72.51 H new ATOM 0 HE3 MET A 88 7.848 5.059 12.885 1.00 72.51 H new ATOM 1312 N LEU A 89 2.755 7.624 14.173 1.00 31.22 N ATOM 1313 CA LEU A 89 2.216 8.903 13.675 1.00 42.30 C ATOM 1314 C LEU A 89 1.586 9.732 14.821 1.00 3.12 C ATOM 1315 O LEU A 89 1.217 9.182 15.865 1.00 31.04 O ATOM 1316 CB LEU A 89 1.187 8.636 12.535 1.00 1.51 C ATOM 1317 CG LEU A 89 1.637 7.607 11.429 1.00 53.02 C ATOM 1318 CD1 LEU A 89 0.581 7.486 10.314 1.00 74.34 C ATOM 1319 CD2 LEU A 89 3.030 7.948 10.844 1.00 41.54 C ATOM 0 H LEU A 89 2.129 6.832 14.029 1.00 31.22 H new ATOM 0 HA LEU A 89 3.038 9.493 13.269 1.00 42.30 H new ATOM 0 HB2 LEU A 89 0.262 8.276 12.984 1.00 1.51 H new ATOM 0 HB3 LEU A 89 0.957 9.585 12.050 1.00 1.51 H new ATOM 0 HG LEU A 89 1.724 6.637 11.917 1.00 53.02 H new ATOM 0 HD11 LEU A 89 0.921 6.769 9.567 1.00 74.34 H new ATOM 0 HD12 LEU A 89 -0.362 7.145 10.741 1.00 74.34 H new ATOM 0 HD13 LEU A 89 0.435 8.458 9.844 1.00 74.34 H new ATOM 0 HD21 LEU A 89 3.297 7.211 10.086 1.00 41.54 H new ATOM 0 HD22 LEU A 89 3.002 8.939 10.392 1.00 41.54 H new ATOM 0 HD23 LEU A 89 3.773 7.934 11.641 1.00 41.54 H new ATOM 1331 N ASN A 90 1.497 11.057 14.595 1.00 13.45 N ATOM 1332 CA ASN A 90 0.989 12.066 15.568 1.00 1.11 C ATOM 1333 C ASN A 90 -0.326 11.657 16.277 1.00 4.04 C ATOM 1334 O ASN A 90 -0.525 11.968 17.457 1.00 4.24 O ATOM 1335 CB ASN A 90 0.829 13.446 14.866 1.00 70.31 C ATOM 1336 CG ASN A 90 -0.107 13.435 13.647 1.00 23.24 C ATOM 1337 OD1 ASN A 90 -0.208 12.451 12.920 1.00 51.11 O ATOM 1338 ND2 ASN A 90 -0.789 14.532 13.414 1.00 13.41 N ATOM 0 H ASN A 90 1.782 11.475 13.709 1.00 13.45 H new ATOM 0 HA ASN A 90 1.737 12.132 16.358 1.00 1.11 H new ATOM 0 HB2 ASN A 90 0.452 14.167 15.591 1.00 70.31 H new ATOM 0 HB3 ASN A 90 1.812 13.795 14.550 1.00 70.31 H new ATOM 0 HD21 ASN A 90 -1.420 14.580 12.614 1.00 13.41 H new ATOM 0 HD22 ASN A 90 -0.688 15.337 14.033 1.00 13.41 H new ATOM 1345 N VAL A 91 -1.212 10.960 15.549 1.00 74.53 N ATOM 1346 CA VAL A 91 -2.487 10.437 16.095 1.00 21.30 C ATOM 1347 C VAL A 91 -2.708 8.967 15.679 1.00 13.21 C ATOM 1348 O VAL A 91 -1.940 8.404 14.886 1.00 72.53 O ATOM 1349 CB VAL A 91 -3.726 11.298 15.628 1.00 73.14 C ATOM 1350 CG1 VAL A 91 -3.570 12.774 16.058 1.00 62.41 C ATOM 1351 CG2 VAL A 91 -3.957 11.184 14.099 1.00 2.52 C ATOM 0 H VAL A 91 -1.070 10.740 14.563 1.00 74.53 H new ATOM 0 HA VAL A 91 -2.409 10.500 17.180 1.00 21.30 H new ATOM 0 HB VAL A 91 -4.610 10.894 16.122 1.00 73.14 H new ATOM 0 HG11 VAL A 91 -4.437 13.344 15.724 1.00 62.41 H new ATOM 0 HG12 VAL A 91 -3.495 12.831 17.144 1.00 62.41 H new ATOM 0 HG13 VAL A 91 -2.668 13.190 15.610 1.00 62.41 H new ATOM 0 HG21 VAL A 91 -4.818 11.790 13.815 1.00 2.52 H new ATOM 0 HG22 VAL A 91 -3.073 11.539 13.570 1.00 2.52 H new ATOM 0 HG23 VAL A 91 -4.143 10.143 13.836 1.00 2.52 H new ATOM 1361 N ALA A 92 -3.768 8.356 16.236 1.00 32.42 N ATOM 1362 CA ALA A 92 -4.243 7.033 15.808 1.00 53.43 C ATOM 1363 C ALA A 92 -4.914 7.130 14.416 1.00 10.32 C ATOM 1364 O ALA A 92 -6.082 7.519 14.301 1.00 10.31 O ATOM 1365 CB ALA A 92 -5.213 6.457 16.858 1.00 41.34 C ATOM 0 H ALA A 92 -4.316 8.765 16.993 1.00 32.42 H new ATOM 0 HA ALA A 92 -3.393 6.356 15.723 1.00 53.43 H new ATOM 0 HB1 ALA A 92 -5.560 5.476 16.533 1.00 41.34 H new ATOM 0 HB2 ALA A 92 -4.699 6.361 17.814 1.00 41.34 H new ATOM 0 HB3 ALA A 92 -6.067 7.125 16.970 1.00 41.34 H new ATOM 1371 N LEU A 93 -4.146 6.802 13.358 1.00 2.12 N ATOM 1372 CA LEU A 93 -4.668 6.785 11.976 1.00 72.31 C ATOM 1373 C LEU A 93 -5.443 5.463 11.776 1.00 4.21 C ATOM 1374 O LEU A 93 -4.896 4.379 12.005 1.00 73.30 O ATOM 1375 CB LEU A 93 -3.505 6.952 10.934 1.00 75.33 C ATOM 1376 CG LEU A 93 -3.899 7.464 9.488 1.00 62.11 C ATOM 1377 CD1 LEU A 93 -2.646 7.883 8.683 1.00 71.53 C ATOM 1378 CD2 LEU A 93 -4.718 6.423 8.674 1.00 50.42 C ATOM 0 H LEU A 93 -3.162 6.545 13.434 1.00 2.12 H new ATOM 0 HA LEU A 93 -5.343 7.625 11.814 1.00 72.31 H new ATOM 0 HB2 LEU A 93 -2.775 7.645 11.351 1.00 75.33 H new ATOM 0 HB3 LEU A 93 -3.006 5.989 10.827 1.00 75.33 H new ATOM 0 HG LEU A 93 -4.539 8.332 9.645 1.00 62.11 H new ATOM 0 HD11 LEU A 93 -2.948 8.230 7.695 1.00 71.53 H new ATOM 0 HD12 LEU A 93 -2.129 8.686 9.207 1.00 71.53 H new ATOM 0 HD13 LEU A 93 -1.978 7.028 8.579 1.00 71.53 H new ATOM 0 HD21 LEU A 93 -4.957 6.834 7.693 1.00 50.42 H new ATOM 0 HD22 LEU A 93 -4.131 5.513 8.553 1.00 50.42 H new ATOM 0 HD23 LEU A 93 -5.642 6.191 9.205 1.00 50.42 H new ATOM 1390 N ARG A 94 -6.720 5.567 11.379 1.00 13.33 N ATOM 1391 CA ARG A 94 -7.580 4.399 11.088 1.00 52.13 C ATOM 1392 C ARG A 94 -7.745 4.207 9.555 1.00 30.42 C ATOM 1393 O ARG A 94 -8.580 4.878 8.922 1.00 11.33 O ATOM 1394 CB ARG A 94 -8.961 4.556 11.790 1.00 53.10 C ATOM 1395 CG ARG A 94 -9.952 3.381 11.563 1.00 64.35 C ATOM 1396 CD ARG A 94 -9.427 2.033 12.107 1.00 42.33 C ATOM 1397 NE ARG A 94 -9.229 2.056 13.566 1.00 3.12 N ATOM 1398 CZ ARG A 94 -8.469 1.224 14.247 1.00 4.02 C ATOM 1399 NH1 ARG A 94 -7.690 0.373 13.651 1.00 3.33 N ATOM 1400 NH2 ARG A 94 -8.461 1.286 15.534 1.00 44.14 N ATOM 0 H ARG A 94 -7.191 6.463 11.249 1.00 13.33 H new ATOM 0 HA ARG A 94 -7.100 3.504 11.484 1.00 52.13 H new ATOM 0 HB2 ARG A 94 -8.796 4.670 12.861 1.00 53.10 H new ATOM 0 HB3 ARG A 94 -9.427 5.477 11.440 1.00 53.10 H new ATOM 0 HG2 ARG A 94 -10.901 3.616 12.045 1.00 64.35 H new ATOM 0 HG3 ARG A 94 -10.152 3.283 10.496 1.00 64.35 H new ATOM 0 HD2 ARG A 94 -10.132 1.242 11.851 1.00 42.33 H new ATOM 0 HD3 ARG A 94 -8.483 1.790 11.619 1.00 42.33 H new ATOM 0 HE ARG A 94 -9.722 2.777 14.093 1.00 3.12 H new ATOM 0 HH11 ARG A 94 -7.657 0.338 12.632 1.00 3.33 H new ATOM 0 HH12 ARG A 94 -7.111 -0.261 14.202 1.00 3.33 H new ATOM 0 HH21 ARG A 94 -9.040 1.975 16.015 1.00 44.14 H new ATOM 0 HH22 ARG A 94 -7.876 0.646 16.072 1.00 44.14 H new ATOM 1414 N PRO A 95 -6.922 3.318 8.914 1.00 14.43 N ATOM 1415 CA PRO A 95 -7.116 2.951 7.501 1.00 52.01 C ATOM 1416 C PRO A 95 -8.094 1.754 7.340 1.00 33.55 C ATOM 1417 O PRO A 95 -8.432 1.064 8.312 1.00 34.35 O ATOM 1418 CB PRO A 95 -5.681 2.602 7.054 1.00 74.43 C ATOM 1419 CG PRO A 95 -5.040 1.999 8.275 1.00 12.22 C ATOM 1420 CD PRO A 95 -5.729 2.625 9.485 1.00 23.31 C ATOM 0 HA PRO A 95 -7.573 3.740 6.903 1.00 52.01 H new ATOM 0 HB2 PRO A 95 -5.685 1.900 6.220 1.00 74.43 H new ATOM 0 HB3 PRO A 95 -5.143 3.489 6.721 1.00 74.43 H new ATOM 0 HG2 PRO A 95 -5.159 0.915 8.279 1.00 12.22 H new ATOM 0 HG3 PRO A 95 -3.969 2.203 8.291 1.00 12.22 H new ATOM 0 HD2 PRO A 95 -6.020 1.868 10.213 1.00 23.31 H new ATOM 0 HD3 PRO A 95 -5.071 3.325 9.999 1.00 23.31 H new ATOM 1428 N GLU A 96 -8.547 1.526 6.106 1.00 62.03 N ATOM 1429 CA GLU A 96 -9.468 0.420 5.767 1.00 45.25 C ATOM 1430 C GLU A 96 -8.657 -0.729 5.126 1.00 24.10 C ATOM 1431 O GLU A 96 -8.058 -0.547 4.070 1.00 3.40 O ATOM 1432 CB GLU A 96 -10.578 0.959 4.827 1.00 55.42 C ATOM 1433 CG GLU A 96 -11.682 -0.036 4.439 1.00 20.11 C ATOM 1434 CD GLU A 96 -12.828 0.625 3.640 1.00 4.13 C ATOM 1435 OE1 GLU A 96 -12.586 1.112 2.514 1.00 64.21 O ATOM 1436 OE2 GLU A 96 -13.976 0.662 4.133 1.00 32.12 O ATOM 0 H GLU A 96 -8.289 2.101 5.304 1.00 62.03 H new ATOM 0 HA GLU A 96 -9.954 0.024 6.658 1.00 45.25 H new ATOM 0 HB2 GLU A 96 -11.045 1.819 5.307 1.00 55.42 H new ATOM 0 HB3 GLU A 96 -10.107 1.321 3.913 1.00 55.42 H new ATOM 0 HG2 GLU A 96 -11.248 -0.840 3.845 1.00 20.11 H new ATOM 0 HG3 GLU A 96 -12.089 -0.490 5.342 1.00 20.11 H new ATOM 1443 N MET A 97 -8.609 -1.899 5.794 1.00 61.11 N ATOM 1444 CA MET A 97 -7.720 -3.029 5.403 1.00 62.52 C ATOM 1445 C MET A 97 -8.527 -4.274 4.952 1.00 14.32 C ATOM 1446 O MET A 97 -9.451 -4.702 5.646 1.00 63.31 O ATOM 1447 CB MET A 97 -6.800 -3.409 6.595 1.00 73.24 C ATOM 1448 CG MET A 97 -5.845 -2.306 7.057 1.00 22.30 C ATOM 1449 SD MET A 97 -4.896 -2.815 8.511 1.00 22.23 S ATOM 1450 CE MET A 97 -3.796 -1.426 8.750 1.00 52.55 C ATOM 0 H MET A 97 -9.180 -2.094 6.617 1.00 61.11 H new ATOM 0 HA MET A 97 -7.119 -2.698 4.556 1.00 62.52 H new ATOM 0 HB2 MET A 97 -7.426 -3.702 7.438 1.00 73.24 H new ATOM 0 HB3 MET A 97 -6.212 -4.283 6.315 1.00 73.24 H new ATOM 0 HG2 MET A 97 -5.162 -2.052 6.246 1.00 22.30 H new ATOM 0 HG3 MET A 97 -6.413 -1.405 7.289 1.00 22.30 H new ATOM 0 HE1 MET A 97 -2.845 -1.779 9.150 1.00 52.55 H new ATOM 0 HE2 MET A 97 -3.626 -0.928 7.795 1.00 52.55 H new ATOM 0 HE3 MET A 97 -4.245 -0.722 9.451 1.00 52.55 H new ATOM 1460 N GLN A 98 -8.155 -4.851 3.785 1.00 43.02 N ATOM 1461 CA GLN A 98 -8.728 -6.129 3.271 1.00 33.34 C ATOM 1462 C GLN A 98 -7.645 -6.984 2.593 1.00 72.40 C ATOM 1463 O GLN A 98 -6.722 -6.464 1.960 1.00 24.44 O ATOM 1464 CB GLN A 98 -9.907 -5.897 2.274 1.00 21.53 C ATOM 1465 CG GLN A 98 -11.249 -5.549 2.943 1.00 52.34 C ATOM 1466 CD GLN A 98 -11.819 -6.681 3.812 1.00 54.24 C ATOM 1467 OE1 GLN A 98 -11.646 -7.857 3.518 1.00 75.03 O ATOM 1468 NE2 GLN A 98 -12.469 -6.332 4.906 1.00 24.23 N ATOM 0 H GLN A 98 -7.449 -4.447 3.169 1.00 43.02 H new ATOM 0 HA GLN A 98 -9.121 -6.659 4.138 1.00 33.34 H new ATOM 0 HB2 GLN A 98 -9.636 -5.091 1.592 1.00 21.53 H new ATOM 0 HB3 GLN A 98 -10.038 -6.795 1.671 1.00 21.53 H new ATOM 0 HG2 GLN A 98 -11.117 -4.660 3.560 1.00 52.34 H new ATOM 0 HG3 GLN A 98 -11.975 -5.296 2.170 1.00 52.34 H new ATOM 0 HE21 GLN A 98 -12.600 -5.345 5.129 1.00 24.23 H new ATOM 0 HE22 GLN A 98 -12.841 -7.049 5.529 1.00 24.23 H new ATOM 1477 N LEU A 99 -7.798 -8.304 2.719 1.00 53.12 N ATOM 1478 CA LEU A 99 -6.879 -9.298 2.140 1.00 63.01 C ATOM 1479 C LEU A 99 -7.489 -9.912 0.863 1.00 33.14 C ATOM 1480 O LEU A 99 -8.561 -10.522 0.904 1.00 53.12 O ATOM 1481 CB LEU A 99 -6.556 -10.367 3.217 1.00 21.12 C ATOM 1482 CG LEU A 99 -5.664 -9.839 4.390 1.00 62.32 C ATOM 1483 CD1 LEU A 99 -5.730 -10.735 5.640 1.00 40.33 C ATOM 1484 CD2 LEU A 99 -4.203 -9.654 3.917 1.00 3.34 C ATOM 0 H LEU A 99 -8.573 -8.723 3.233 1.00 53.12 H new ATOM 0 HA LEU A 99 -5.944 -8.824 1.841 1.00 63.01 H new ATOM 0 HB2 LEU A 99 -7.491 -10.748 3.628 1.00 21.12 H new ATOM 0 HB3 LEU A 99 -6.052 -11.207 2.740 1.00 21.12 H new ATOM 0 HG LEU A 99 -6.066 -8.870 4.685 1.00 62.32 H new ATOM 0 HD11 LEU A 99 -5.092 -10.319 6.420 1.00 40.33 H new ATOM 0 HD12 LEU A 99 -6.758 -10.783 5.999 1.00 40.33 H new ATOM 0 HD13 LEU A 99 -5.387 -11.738 5.387 1.00 40.33 H new ATOM 0 HD21 LEU A 99 -3.596 -9.286 4.745 1.00 3.34 H new ATOM 0 HD22 LEU A 99 -3.808 -10.610 3.574 1.00 3.34 H new ATOM 0 HD23 LEU A 99 -4.174 -8.935 3.098 1.00 3.34 H new ATOM 1496 N GLU A 100 -6.787 -9.729 -0.269 1.00 55.42 N ATOM 1497 CA GLU A 100 -7.250 -10.120 -1.621 1.00 51.35 C ATOM 1498 C GLU A 100 -6.198 -11.043 -2.283 1.00 44.11 C ATOM 1499 O GLU A 100 -5.011 -10.701 -2.315 1.00 22.03 O ATOM 1500 CB GLU A 100 -7.454 -8.852 -2.497 1.00 23.44 C ATOM 1501 CG GLU A 100 -8.407 -7.777 -1.925 1.00 22.52 C ATOM 1502 CD GLU A 100 -9.877 -8.221 -1.825 1.00 24.31 C ATOM 1503 OE1 GLU A 100 -10.475 -8.563 -2.874 1.00 62.42 O ATOM 1504 OE2 GLU A 100 -10.450 -8.214 -0.713 1.00 4.34 O ATOM 0 H GLU A 100 -5.863 -9.297 -0.275 1.00 55.42 H new ATOM 0 HA GLU A 100 -8.197 -10.652 -1.535 1.00 51.35 H new ATOM 0 HB2 GLU A 100 -6.481 -8.392 -2.667 1.00 23.44 H new ATOM 0 HB3 GLU A 100 -7.833 -9.164 -3.470 1.00 23.44 H new ATOM 0 HG2 GLU A 100 -8.058 -7.490 -0.933 1.00 22.52 H new ATOM 0 HG3 GLU A 100 -8.350 -6.887 -2.552 1.00 22.52 H new ATOM 1511 N GLN A 101 -6.632 -12.193 -2.826 1.00 44.31 N ATOM 1512 CA GLN A 101 -5.713 -13.185 -3.431 1.00 44.04 C ATOM 1513 C GLN A 101 -5.581 -12.983 -4.957 1.00 50.41 C ATOM 1514 O GLN A 101 -6.571 -13.047 -5.695 1.00 74.10 O ATOM 1515 CB GLN A 101 -6.158 -14.636 -3.101 1.00 55.32 C ATOM 1516 CG GLN A 101 -6.035 -15.006 -1.607 1.00 3.22 C ATOM 1517 CD GLN A 101 -6.385 -16.463 -1.299 1.00 74.11 C ATOM 1518 OE1 GLN A 101 -7.189 -17.088 -1.983 1.00 52.44 O ATOM 1519 NE2 GLN A 101 -5.787 -17.021 -0.264 1.00 10.40 N ATOM 0 H GLN A 101 -7.615 -12.463 -2.861 1.00 44.31 H new ATOM 0 HA GLN A 101 -4.729 -13.025 -2.991 1.00 44.04 H new ATOM 0 HB2 GLN A 101 -7.194 -14.767 -3.413 1.00 55.32 H new ATOM 0 HB3 GLN A 101 -5.558 -15.332 -3.688 1.00 55.32 H new ATOM 0 HG2 GLN A 101 -5.015 -14.810 -1.277 1.00 3.22 H new ATOM 0 HG3 GLN A 101 -6.689 -14.355 -1.026 1.00 3.22 H new ATOM 0 HE21 GLN A 101 -5.122 -16.483 0.291 1.00 10.40 H new ATOM 0 HE22 GLN A 101 -5.990 -17.990 -0.019 1.00 10.40 H new ATOM 1528 N VAL A 102 -4.330 -12.758 -5.412 1.00 32.15 N ATOM 1529 CA VAL A 102 -3.994 -12.494 -6.825 1.00 21.12 C ATOM 1530 C VAL A 102 -2.897 -13.486 -7.289 1.00 23.01 C ATOM 1531 O VAL A 102 -1.850 -13.590 -6.636 1.00 34.35 O ATOM 1532 CB VAL A 102 -3.466 -11.025 -7.046 1.00 21.52 C ATOM 1533 CG1 VAL A 102 -3.392 -10.678 -8.554 1.00 32.25 C ATOM 1534 CG2 VAL A 102 -4.301 -9.995 -6.255 1.00 62.22 C ATOM 0 H VAL A 102 -3.515 -12.755 -4.799 1.00 32.15 H new ATOM 0 HA VAL A 102 -4.908 -12.621 -7.405 1.00 21.12 H new ATOM 0 HB VAL A 102 -2.451 -10.975 -6.652 1.00 21.52 H new ATOM 0 HG11 VAL A 102 -3.025 -9.659 -8.675 1.00 32.25 H new ATOM 0 HG12 VAL A 102 -2.714 -11.370 -9.054 1.00 32.25 H new ATOM 0 HG13 VAL A 102 -4.385 -10.761 -8.996 1.00 32.25 H new ATOM 0 HG21 VAL A 102 -3.907 -8.994 -6.432 1.00 62.22 H new ATOM 0 HG22 VAL A 102 -5.340 -10.040 -6.583 1.00 62.22 H new ATOM 0 HG23 VAL A 102 -4.247 -10.223 -5.190 1.00 62.22 H new ATOM 1544 N GLY A 103 -3.143 -14.197 -8.406 1.00 34.41 N ATOM 1545 CA GLY A 103 -2.174 -15.153 -8.977 1.00 54.30 C ATOM 1546 C GLY A 103 -1.696 -16.265 -8.012 1.00 34.44 C ATOM 1547 O GLY A 103 -0.546 -16.710 -8.095 1.00 71.21 O ATOM 0 H GLY A 103 -4.012 -14.126 -8.935 1.00 34.41 H new ATOM 0 HA2 GLY A 103 -2.624 -15.622 -9.852 1.00 54.30 H new ATOM 0 HA3 GLY A 103 -1.303 -14.598 -9.326 1.00 54.30 H new ATOM 1551 N GLY A 104 -2.574 -16.676 -7.069 1.00 35.51 N ATOM 1552 CA GLY A 104 -2.257 -17.740 -6.092 1.00 60.51 C ATOM 1553 C GLY A 104 -1.540 -17.234 -4.829 1.00 14.24 C ATOM 1554 O GLY A 104 -1.108 -18.035 -3.985 1.00 74.22 O ATOM 0 H GLY A 104 -3.510 -16.285 -6.965 1.00 35.51 H new ATOM 0 HA2 GLY A 104 -3.182 -18.237 -5.798 1.00 60.51 H new ATOM 0 HA3 GLY A 104 -1.632 -18.490 -6.577 1.00 60.51 H new ATOM 1558 N LYS A 105 -1.402 -15.898 -4.706 1.00 73.12 N ATOM 1559 CA LYS A 105 -0.696 -15.234 -3.580 1.00 73.32 C ATOM 1560 C LYS A 105 -1.693 -14.368 -2.774 1.00 41.31 C ATOM 1561 O LYS A 105 -2.598 -13.789 -3.366 1.00 1.33 O ATOM 1562 CB LYS A 105 0.440 -14.318 -4.131 1.00 50.24 C ATOM 1563 CG LYS A 105 1.260 -14.894 -5.307 1.00 71.43 C ATOM 1564 CD LYS A 105 2.046 -16.173 -4.955 1.00 75.42 C ATOM 1565 CE LYS A 105 2.910 -16.666 -6.131 1.00 42.20 C ATOM 1566 NZ LYS A 105 2.100 -16.961 -7.347 1.00 42.45 N ATOM 0 H LYS A 105 -1.779 -15.240 -5.389 1.00 73.12 H new ATOM 0 HA LYS A 105 -0.268 -16.000 -2.934 1.00 73.32 H new ATOM 0 HB2 LYS A 105 -0.003 -13.374 -4.450 1.00 50.24 H new ATOM 0 HB3 LYS A 105 1.124 -14.089 -3.314 1.00 50.24 H new ATOM 0 HG2 LYS A 105 0.586 -15.111 -6.135 1.00 71.43 H new ATOM 0 HG3 LYS A 105 1.959 -14.134 -5.656 1.00 71.43 H new ATOM 0 HD2 LYS A 105 2.685 -15.980 -4.093 1.00 75.42 H new ATOM 0 HD3 LYS A 105 1.348 -16.958 -4.665 1.00 75.42 H new ATOM 0 HE2 LYS A 105 3.658 -15.910 -6.371 1.00 42.20 H new ATOM 0 HE3 LYS A 105 3.449 -17.564 -5.830 1.00 42.20 H new ATOM 0 HZ1 LYS A 105 2.308 -17.925 -7.678 1.00 42.45 H new ATOM 0 HZ2 LYS A 105 1.089 -16.885 -7.117 1.00 42.45 H new ATOM 0 HZ3 LYS A 105 2.337 -16.279 -8.096 1.00 42.45 H new ATOM 1580 N THR A 106 -1.525 -14.248 -1.442 1.00 21.24 N ATOM 1581 CA THR A 106 -2.427 -13.385 -0.614 1.00 42.35 C ATOM 1582 C THR A 106 -1.813 -11.970 -0.406 1.00 20.31 C ATOM 1583 O THR A 106 -0.869 -11.801 0.368 1.00 70.34 O ATOM 1584 CB THR A 106 -2.773 -14.029 0.782 1.00 71.24 C ATOM 1585 OG1 THR A 106 -3.220 -15.385 0.604 1.00 41.44 O ATOM 1586 CG2 THR A 106 -3.878 -13.242 1.524 1.00 15.52 C ATOM 0 H THR A 106 -0.792 -14.722 -0.914 1.00 21.24 H new ATOM 0 HA THR A 106 -3.358 -13.294 -1.173 1.00 42.35 H new ATOM 0 HB THR A 106 -1.863 -14.001 1.381 1.00 71.24 H new ATOM 0 HG1 THR A 106 -3.431 -15.777 1.477 1.00 41.44 H new ATOM 0 HG21 THR A 106 -4.085 -13.720 2.481 1.00 15.52 H new ATOM 0 HG22 THR A 106 -3.544 -12.219 1.695 1.00 15.52 H new ATOM 0 HG23 THR A 106 -4.785 -13.231 0.920 1.00 15.52 H new ATOM 1594 N LEU A 107 -2.357 -10.972 -1.136 1.00 14.33 N ATOM 1595 CA LEU A 107 -1.951 -9.543 -1.020 1.00 11.03 C ATOM 1596 C LEU A 107 -2.832 -8.782 0.012 1.00 21.54 C ATOM 1597 O LEU A 107 -3.922 -9.235 0.371 1.00 34.10 O ATOM 1598 CB LEU A 107 -1.990 -8.821 -2.408 1.00 42.43 C ATOM 1599 CG LEU A 107 -0.903 -9.243 -3.461 1.00 72.35 C ATOM 1600 CD1 LEU A 107 -1.109 -10.687 -3.967 1.00 11.24 C ATOM 1601 CD2 LEU A 107 -0.853 -8.243 -4.643 1.00 34.52 C ATOM 0 H LEU A 107 -3.092 -11.129 -1.825 1.00 14.33 H new ATOM 0 HA LEU A 107 -0.922 -9.533 -0.661 1.00 11.03 H new ATOM 0 HB2 LEU A 107 -2.972 -8.988 -2.849 1.00 42.43 H new ATOM 0 HB3 LEU A 107 -1.896 -7.749 -2.235 1.00 42.43 H new ATOM 0 HG LEU A 107 0.060 -9.217 -2.950 1.00 72.35 H new ATOM 0 HD11 LEU A 107 -0.333 -10.932 -4.693 1.00 11.24 H new ATOM 0 HD12 LEU A 107 -1.052 -11.379 -3.127 1.00 11.24 H new ATOM 0 HD13 LEU A 107 -2.088 -10.771 -4.440 1.00 11.24 H new ATOM 0 HD21 LEU A 107 -0.092 -8.560 -5.356 1.00 34.52 H new ATOM 0 HD22 LEU A 107 -1.824 -8.215 -5.137 1.00 34.52 H new ATOM 0 HD23 LEU A 107 -0.608 -7.249 -4.269 1.00 34.52 H new ATOM 1613 N LEU A 108 -2.337 -7.614 0.477 1.00 3.53 N ATOM 1614 CA LEU A 108 -3.061 -6.731 1.433 1.00 55.41 C ATOM 1615 C LEU A 108 -3.291 -5.338 0.809 1.00 73.33 C ATOM 1616 O LEU A 108 -2.332 -4.632 0.475 1.00 53.24 O ATOM 1617 CB LEU A 108 -2.270 -6.580 2.770 1.00 72.43 C ATOM 1618 CG LEU A 108 -2.881 -5.595 3.839 1.00 44.41 C ATOM 1619 CD1 LEU A 108 -4.251 -6.077 4.365 1.00 33.15 C ATOM 1620 CD2 LEU A 108 -1.894 -5.357 5.007 1.00 64.54 C ATOM 0 H LEU A 108 -1.424 -7.252 0.203 1.00 3.53 H new ATOM 0 HA LEU A 108 -4.024 -7.194 1.649 1.00 55.41 H new ATOM 0 HB2 LEU A 108 -2.179 -7.566 3.226 1.00 72.43 H new ATOM 0 HB3 LEU A 108 -1.260 -6.244 2.534 1.00 72.43 H new ATOM 0 HG LEU A 108 -3.049 -4.645 3.332 1.00 44.41 H new ATOM 0 HD11 LEU A 108 -4.630 -5.365 5.098 1.00 33.15 H new ATOM 0 HD12 LEU A 108 -4.954 -6.152 3.535 1.00 33.15 H new ATOM 0 HD13 LEU A 108 -4.137 -7.055 4.833 1.00 33.15 H new ATOM 0 HD21 LEU A 108 -2.342 -4.674 5.729 1.00 64.54 H new ATOM 0 HD22 LEU A 108 -1.672 -6.306 5.495 1.00 64.54 H new ATOM 0 HD23 LEU A 108 -0.972 -4.923 4.621 1.00 64.54 H new ATOM 1632 N VAL A 109 -4.565 -4.957 0.648 1.00 13.53 N ATOM 1633 CA VAL A 109 -4.951 -3.594 0.238 1.00 21.04 C ATOM 1634 C VAL A 109 -5.080 -2.704 1.489 1.00 22.42 C ATOM 1635 O VAL A 109 -5.875 -3.002 2.389 1.00 52.33 O ATOM 1636 CB VAL A 109 -6.314 -3.578 -0.541 1.00 5.34 C ATOM 1637 CG1 VAL A 109 -6.681 -2.147 -1.025 1.00 21.45 C ATOM 1638 CG2 VAL A 109 -6.298 -4.573 -1.714 1.00 14.21 C ATOM 0 H VAL A 109 -5.358 -5.581 0.797 1.00 13.53 H new ATOM 0 HA VAL A 109 -4.176 -3.216 -0.429 1.00 21.04 H new ATOM 0 HB VAL A 109 -7.089 -3.896 0.156 1.00 5.34 H new ATOM 0 HG11 VAL A 109 -7.630 -2.176 -1.560 1.00 21.45 H new ATOM 0 HG12 VAL A 109 -6.769 -1.483 -0.165 1.00 21.45 H new ATOM 0 HG13 VAL A 109 -5.901 -1.777 -1.690 1.00 21.45 H new ATOM 0 HG21 VAL A 109 -7.256 -4.538 -2.234 1.00 14.21 H new ATOM 0 HG22 VAL A 109 -5.500 -4.306 -2.406 1.00 14.21 H new ATOM 0 HG23 VAL A 109 -6.127 -5.580 -1.334 1.00 14.21 H new ATOM 1648 N VAL A 110 -4.280 -1.633 1.556 1.00 42.41 N ATOM 1649 CA VAL A 110 -4.383 -0.623 2.624 1.00 23.14 C ATOM 1650 C VAL A 110 -4.970 0.676 2.036 1.00 33.11 C ATOM 1651 O VAL A 110 -4.276 1.440 1.363 1.00 51.52 O ATOM 1652 CB VAL A 110 -2.982 -0.338 3.287 1.00 2.33 C ATOM 1653 CG1 VAL A 110 -3.108 0.602 4.521 1.00 2.32 C ATOM 1654 CG2 VAL A 110 -2.265 -1.658 3.655 1.00 23.42 C ATOM 0 H VAL A 110 -3.545 -1.440 0.876 1.00 42.41 H new ATOM 0 HA VAL A 110 -5.041 -1.007 3.404 1.00 23.14 H new ATOM 0 HB VAL A 110 -2.370 0.182 2.550 1.00 2.33 H new ATOM 0 HG11 VAL A 110 -2.121 0.774 4.950 1.00 2.32 H new ATOM 0 HG12 VAL A 110 -3.540 1.554 4.211 1.00 2.32 H new ATOM 0 HG13 VAL A 110 -3.752 0.138 5.268 1.00 2.32 H new ATOM 0 HG21 VAL A 110 -1.301 -1.433 4.111 1.00 23.42 H new ATOM 0 HG22 VAL A 110 -2.877 -2.220 4.360 1.00 23.42 H new ATOM 0 HG23 VAL A 110 -2.111 -2.252 2.754 1.00 23.42 H new ATOM 1664 N TYR A 111 -6.268 0.899 2.269 1.00 42.02 N ATOM 1665 CA TYR A 111 -6.945 2.149 1.888 1.00 74.15 C ATOM 1666 C TYR A 111 -6.573 3.259 2.893 1.00 33.43 C ATOM 1667 O TYR A 111 -6.942 3.187 4.069 1.00 74.25 O ATOM 1668 CB TYR A 111 -8.486 1.943 1.821 1.00 21.00 C ATOM 1669 CG TYR A 111 -9.295 3.231 1.573 1.00 22.32 C ATOM 1670 CD1 TYR A 111 -9.129 3.963 0.402 1.00 10.33 C ATOM 1671 CD2 TYR A 111 -10.205 3.727 2.519 1.00 13.13 C ATOM 1672 CE1 TYR A 111 -9.833 5.122 0.178 1.00 43.21 C ATOM 1673 CE2 TYR A 111 -10.909 4.896 2.295 1.00 62.25 C ATOM 1674 CZ TYR A 111 -10.718 5.591 1.123 1.00 63.53 C ATOM 1675 OH TYR A 111 -11.412 6.765 0.900 1.00 64.31 O ATOM 0 H TYR A 111 -6.879 0.222 2.725 1.00 42.02 H new ATOM 0 HA TYR A 111 -6.614 2.450 0.894 1.00 74.15 H new ATOM 0 HB2 TYR A 111 -8.710 1.230 1.027 1.00 21.00 H new ATOM 0 HB3 TYR A 111 -8.820 1.494 2.756 1.00 21.00 H new ATOM 0 HD1 TYR A 111 -8.433 3.614 -0.346 1.00 10.33 H new ATOM 0 HD2 TYR A 111 -10.359 3.185 3.440 1.00 13.13 H new ATOM 0 HE1 TYR A 111 -9.691 5.667 -0.743 1.00 43.21 H new ATOM 0 HE2 TYR A 111 -11.605 5.261 3.036 1.00 62.25 H new ATOM 0 HH TYR A 111 -11.994 6.951 1.666 1.00 64.31 H new ATOM 1685 N VAL A 112 -5.846 4.280 2.419 1.00 31.40 N ATOM 1686 CA VAL A 112 -5.411 5.423 3.244 1.00 12.44 C ATOM 1687 C VAL A 112 -6.173 6.695 2.783 1.00 42.12 C ATOM 1688 O VAL A 112 -5.838 7.281 1.743 1.00 33.10 O ATOM 1689 CB VAL A 112 -3.855 5.662 3.158 1.00 63.21 C ATOM 1690 CG1 VAL A 112 -3.399 6.757 4.162 1.00 51.15 C ATOM 1691 CG2 VAL A 112 -3.066 4.344 3.373 1.00 14.33 C ATOM 0 H VAL A 112 -5.540 4.340 1.448 1.00 31.40 H new ATOM 0 HA VAL A 112 -5.641 5.199 4.286 1.00 12.44 H new ATOM 0 HB VAL A 112 -3.633 6.018 2.152 1.00 63.21 H new ATOM 0 HG11 VAL A 112 -2.322 6.900 4.080 1.00 51.15 H new ATOM 0 HG12 VAL A 112 -3.908 7.694 3.935 1.00 51.15 H new ATOM 0 HG13 VAL A 112 -3.647 6.446 5.177 1.00 51.15 H new ATOM 0 HG21 VAL A 112 -1.997 4.545 3.307 1.00 14.33 H new ATOM 0 HG22 VAL A 112 -3.299 3.937 4.357 1.00 14.33 H new ATOM 0 HG23 VAL A 112 -3.347 3.622 2.606 1.00 14.33 H new ATOM 1701 N PRO A 113 -7.264 7.099 3.505 1.00 2.10 N ATOM 1702 CA PRO A 113 -8.011 8.345 3.201 1.00 51.34 C ATOM 1703 C PRO A 113 -7.440 9.588 3.927 1.00 25.40 C ATOM 1704 O PRO A 113 -6.413 9.517 4.611 1.00 72.34 O ATOM 1705 CB PRO A 113 -9.416 7.992 3.737 1.00 2.21 C ATOM 1706 CG PRO A 113 -9.141 7.169 4.968 1.00 71.53 C ATOM 1707 CD PRO A 113 -7.878 6.373 4.664 1.00 44.44 C ATOM 0 HA PRO A 113 -7.972 8.619 2.147 1.00 51.34 H new ATOM 0 HB2 PRO A 113 -9.989 8.888 3.976 1.00 2.21 H new ATOM 0 HB3 PRO A 113 -9.994 7.431 3.003 1.00 2.21 H new ATOM 0 HG2 PRO A 113 -9.000 7.807 5.841 1.00 71.53 H new ATOM 0 HG3 PRO A 113 -9.977 6.506 5.189 1.00 71.53 H new ATOM 0 HD2 PRO A 113 -7.205 6.348 5.521 1.00 44.44 H new ATOM 0 HD3 PRO A 113 -8.109 5.338 4.410 1.00 44.44 H new ATOM 1715 N GLU A 114 -8.118 10.730 3.750 1.00 0.32 N ATOM 1716 CA GLU A 114 -7.916 11.914 4.595 1.00 72.33 C ATOM 1717 C GLU A 114 -8.783 11.801 5.867 1.00 4.35 C ATOM 1718 O GLU A 114 -9.875 11.213 5.850 1.00 35.35 O ATOM 1719 CB GLU A 114 -8.267 13.204 3.818 1.00 63.32 C ATOM 1720 CG GLU A 114 -7.306 13.545 2.662 1.00 21.12 C ATOM 1721 CD GLU A 114 -7.648 14.887 2.002 1.00 54.53 C ATOM 1722 OE1 GLU A 114 -7.216 15.940 2.507 1.00 52.43 O ATOM 1723 OE2 GLU A 114 -8.382 14.912 0.998 1.00 23.41 O ATOM 0 H GLU A 114 -8.819 10.859 3.020 1.00 0.32 H new ATOM 0 HA GLU A 114 -6.866 11.965 4.883 1.00 72.33 H new ATOM 0 HB2 GLU A 114 -9.276 13.106 3.416 1.00 63.32 H new ATOM 0 HB3 GLU A 114 -8.282 14.040 4.518 1.00 63.32 H new ATOM 0 HG2 GLU A 114 -6.284 13.577 3.039 1.00 21.12 H new ATOM 0 HG3 GLU A 114 -7.345 12.753 1.914 1.00 21.12 H new ATOM 1730 N ALA A 115 -8.281 12.367 6.961 1.00 4.55 N ATOM 1731 CA ALA A 115 -8.962 12.364 8.269 1.00 40.25 C ATOM 1732 C ALA A 115 -9.545 13.776 8.584 1.00 55.14 C ATOM 1733 O ALA A 115 -9.379 14.703 7.785 1.00 0.14 O ATOM 1734 CB ALA A 115 -7.980 11.866 9.333 1.00 33.33 C ATOM 0 H ALA A 115 -7.381 12.848 6.973 1.00 4.55 H new ATOM 0 HA ALA A 115 -9.814 11.684 8.257 1.00 40.25 H new ATOM 0 HB1 ALA A 115 -8.471 11.859 10.306 1.00 33.33 H new ATOM 0 HB2 ALA A 115 -7.654 10.856 9.083 1.00 33.33 H new ATOM 0 HB3 ALA A 115 -7.115 12.528 9.368 1.00 33.33 H new ATOM 1740 N ASP A 116 -10.227 13.946 9.740 1.00 45.24 N ATOM 1741 CA ASP A 116 -10.956 15.207 10.066 1.00 75.12 C ATOM 1742 C ASP A 116 -9.957 16.339 10.378 1.00 20.34 C ATOM 1743 O ASP A 116 -9.238 16.216 11.330 1.00 2.10 O ATOM 1744 CB ASP A 116 -11.900 14.979 11.273 1.00 72.24 C ATOM 1745 CG ASP A 116 -12.847 16.166 11.507 1.00 21.11 C ATOM 1746 OD1 ASP A 116 -13.891 16.237 10.831 1.00 13.54 O ATOM 1747 OD2 ASP A 116 -12.543 17.042 12.347 1.00 4.03 O ATOM 0 H ASP A 116 -10.291 13.231 10.465 1.00 45.24 H new ATOM 0 HA ASP A 116 -11.553 15.499 9.202 1.00 75.12 H new ATOM 0 HB2 ASP A 116 -12.488 14.076 11.106 1.00 72.24 H new ATOM 0 HB3 ASP A 116 -11.304 14.810 12.170 1.00 72.24 H new ATOM 1752 N VAL A 117 -10.049 17.477 9.661 1.00 4.50 N ATOM 1753 CA VAL A 117 -8.939 18.475 9.458 1.00 11.45 C ATOM 1754 C VAL A 117 -7.999 18.743 10.693 1.00 4.55 C ATOM 1755 O VAL A 117 -6.784 18.883 10.505 1.00 51.21 O ATOM 1756 CB VAL A 117 -9.519 19.844 8.932 1.00 2.23 C ATOM 1757 CG1 VAL A 117 -8.407 20.909 8.701 1.00 33.41 C ATOM 1758 CG2 VAL A 117 -10.353 19.638 7.636 1.00 32.03 C ATOM 0 H VAL A 117 -10.911 17.749 9.189 1.00 4.50 H new ATOM 0 HA VAL A 117 -8.296 17.999 8.717 1.00 11.45 H new ATOM 0 HB VAL A 117 -10.176 20.225 9.713 1.00 2.23 H new ATOM 0 HG11 VAL A 117 -8.858 21.833 8.339 1.00 33.41 H new ATOM 0 HG12 VAL A 117 -7.887 21.102 9.640 1.00 33.41 H new ATOM 0 HG13 VAL A 117 -7.696 20.539 7.962 1.00 33.41 H new ATOM 0 HG21 VAL A 117 -10.740 20.598 7.296 1.00 32.03 H new ATOM 0 HG22 VAL A 117 -9.720 19.207 6.860 1.00 32.03 H new ATOM 0 HG23 VAL A 117 -11.184 18.964 7.842 1.00 32.03 H new ATOM 1768 N THR A 118 -8.542 18.777 11.938 1.00 54.11 N ATOM 1769 CA THR A 118 -7.714 18.920 13.191 1.00 33.43 C ATOM 1770 C THR A 118 -6.643 17.794 13.315 1.00 74.05 C ATOM 1771 O THR A 118 -5.503 18.032 13.732 1.00 3.03 O ATOM 1772 CB THR A 118 -8.605 18.939 14.488 1.00 22.43 C ATOM 1773 OG1 THR A 118 -7.781 18.914 15.671 1.00 62.54 O ATOM 1774 CG2 THR A 118 -9.606 17.766 14.532 1.00 35.23 C ATOM 0 H THR A 118 -9.545 18.708 12.113 1.00 54.11 H new ATOM 0 HA THR A 118 -7.204 19.879 13.104 1.00 33.43 H new ATOM 0 HB THR A 118 -9.178 19.866 14.459 1.00 22.43 H new ATOM 0 HG1 THR A 118 -8.352 18.928 16.468 1.00 62.54 H new ATOM 0 HG21 THR A 118 -10.196 17.825 15.446 1.00 35.23 H new ATOM 0 HG22 THR A 118 -10.269 17.821 13.668 1.00 35.23 H new ATOM 0 HG23 THR A 118 -9.061 16.822 14.512 1.00 35.23 H new ATOM 1782 N HIS A 119 -7.057 16.573 12.957 1.00 62.42 N ATOM 1783 CA HIS A 119 -6.182 15.404 12.701 1.00 4.51 C ATOM 1784 C HIS A 119 -6.721 14.817 11.380 1.00 33.00 C ATOM 1785 O HIS A 119 -7.496 13.871 11.447 1.00 70.33 O ATOM 1786 CB HIS A 119 -6.274 14.347 13.852 1.00 54.24 C ATOM 1787 CG HIS A 119 -6.421 14.929 15.229 1.00 32.10 C ATOM 1788 ND1 HIS A 119 -5.359 15.501 15.889 1.00 11.22 N ATOM 1789 CD2 HIS A 119 -7.529 15.028 16.001 1.00 21.02 C ATOM 1790 CE1 HIS A 119 -5.839 15.926 17.038 1.00 41.24 C ATOM 1791 NE2 HIS A 119 -7.148 15.663 17.151 1.00 70.35 N ATOM 0 H HIS A 119 -8.045 16.355 12.831 1.00 62.42 H new ATOM 0 HA HIS A 119 -5.130 15.685 12.647 1.00 4.51 H new ATOM 0 HB2 HIS A 119 -7.122 13.691 13.657 1.00 54.24 H new ATOM 0 HB3 HIS A 119 -5.379 13.726 13.829 1.00 54.24 H new ATOM 0 HD2 HIS A 119 -8.520 14.675 15.757 1.00 21.02 H new ATOM 0 HE1 HIS A 119 -5.252 16.424 17.795 1.00 41.24 H new ATOM 0 HE2 HIS A 119 -7.747 15.893 17.944 1.00 70.35 H new ATOM 1799 N LYS A 120 -6.446 15.357 10.151 1.00 63.15 N ATOM 1800 CA LYS A 120 -5.177 15.841 9.503 1.00 60.32 C ATOM 1801 C LYS A 120 -4.149 16.791 10.249 1.00 33.31 C ATOM 1802 O LYS A 120 -3.981 16.750 11.448 1.00 22.54 O ATOM 1803 CB LYS A 120 -5.568 16.401 8.112 1.00 52.34 C ATOM 1804 CG LYS A 120 -6.275 15.414 7.160 1.00 74.10 C ATOM 1805 CD LYS A 120 -6.515 16.026 5.768 1.00 3.04 C ATOM 1806 CE LYS A 120 -7.396 17.291 5.817 1.00 53.25 C ATOM 1807 NZ LYS A 120 -7.471 17.965 4.500 1.00 45.15 N ATOM 0 H LYS A 120 -7.220 15.481 9.498 1.00 63.15 H new ATOM 0 HA LYS A 120 -4.552 14.948 9.498 1.00 60.32 H new ATOM 0 HB2 LYS A 120 -6.219 17.263 8.259 1.00 52.34 H new ATOM 0 HB3 LYS A 120 -4.665 16.764 7.622 1.00 52.34 H new ATOM 0 HG2 LYS A 120 -5.672 14.512 7.060 1.00 74.10 H new ATOM 0 HG3 LYS A 120 -7.229 15.113 7.593 1.00 74.10 H new ATOM 0 HD2 LYS A 120 -5.555 16.274 5.314 1.00 3.04 H new ATOM 0 HD3 LYS A 120 -6.988 15.283 5.126 1.00 3.04 H new ATOM 0 HE2 LYS A 120 -8.400 17.021 6.144 1.00 53.25 H new ATOM 0 HE3 LYS A 120 -6.995 17.984 6.557 1.00 53.25 H new ATOM 0 HZ1 LYS A 120 -8.387 18.449 4.409 1.00 45.15 H new ATOM 0 HZ2 LYS A 120 -6.703 18.661 4.422 1.00 45.15 H new ATOM 0 HZ3 LYS A 120 -7.376 17.259 3.743 1.00 45.15 H new ATOM 1821 N PRO A 121 -3.399 17.677 9.506 1.00 3.40 N ATOM 1822 CA PRO A 121 -1.934 17.665 9.498 1.00 41.02 C ATOM 1823 C PRO A 121 -1.281 16.412 10.146 1.00 32.51 C ATOM 1824 O PRO A 121 -0.847 16.437 11.292 1.00 61.44 O ATOM 1825 CB PRO A 121 -1.651 19.009 10.192 1.00 21.05 C ATOM 1826 CG PRO A 121 -2.756 19.924 9.661 1.00 43.13 C ATOM 1827 CD PRO A 121 -3.817 19.016 9.004 1.00 40.54 C ATOM 0 HA PRO A 121 -1.485 17.579 8.508 1.00 41.02 H new ATOM 0 HB2 PRO A 121 -1.693 18.917 11.277 1.00 21.05 H new ATOM 0 HB3 PRO A 121 -0.660 19.389 9.942 1.00 21.05 H new ATOM 0 HG2 PRO A 121 -3.195 20.508 10.470 1.00 43.13 H new ATOM 0 HG3 PRO A 121 -2.355 20.634 8.938 1.00 43.13 H new ATOM 0 HD2 PRO A 121 -4.829 19.275 9.314 1.00 40.54 H new ATOM 0 HD3 PRO A 121 -3.792 19.074 7.916 1.00 40.54 H new ATOM 1835 N ILE A 122 -1.301 15.288 9.380 1.00 3.12 N ATOM 1836 CA ILE A 122 -0.722 13.992 9.807 1.00 1.31 C ATOM 1837 C ILE A 122 0.783 13.930 9.462 1.00 53.23 C ATOM 1838 O ILE A 122 1.180 14.242 8.338 1.00 40.52 O ATOM 1839 CB ILE A 122 -1.468 12.765 9.137 1.00 40.51 C ATOM 1840 CG1 ILE A 122 -2.999 12.797 9.463 1.00 72.11 C ATOM 1841 CG2 ILE A 122 -0.839 11.396 9.548 1.00 34.23 C ATOM 1842 CD1 ILE A 122 -3.348 12.773 10.943 1.00 31.02 C ATOM 0 H ILE A 122 -1.720 15.259 8.450 1.00 3.12 H new ATOM 0 HA ILE A 122 -0.852 13.923 10.887 1.00 1.31 H new ATOM 0 HB ILE A 122 -1.342 12.864 8.059 1.00 40.51 H new ATOM 0 HG12 ILE A 122 -3.430 13.695 9.019 1.00 72.11 H new ATOM 0 HG13 ILE A 122 -3.475 11.943 8.980 1.00 72.11 H new ATOM 0 HG21 ILE A 122 -1.384 10.585 9.064 1.00 34.23 H new ATOM 0 HG22 ILE A 122 0.205 11.367 9.237 1.00 34.23 H new ATOM 0 HG23 ILE A 122 -0.899 11.278 10.630 1.00 34.23 H new ATOM 0 HD11 ILE A 122 -4.431 12.798 11.062 1.00 31.02 H new ATOM 0 HD12 ILE A 122 -2.954 11.863 11.395 1.00 31.02 H new ATOM 0 HD13 ILE A 122 -2.909 13.641 11.435 1.00 31.02 H new ATOM 1854 N TYR A 123 1.596 13.530 10.449 1.00 23.12 N ATOM 1855 CA TYR A 123 3.063 13.417 10.311 1.00 23.13 C ATOM 1856 C TYR A 123 3.623 12.421 11.341 1.00 12.21 C ATOM 1857 O TYR A 123 2.938 12.059 12.296 1.00 32.41 O ATOM 1858 CB TYR A 123 3.741 14.816 10.456 1.00 71.32 C ATOM 1859 CG TYR A 123 3.368 15.596 11.736 1.00 22.22 C ATOM 1860 CD1 TYR A 123 4.088 15.438 12.931 1.00 73.33 C ATOM 1861 CD2 TYR A 123 2.296 16.495 11.748 1.00 10.24 C ATOM 1862 CE1 TYR A 123 3.747 16.143 14.074 1.00 15.51 C ATOM 1863 CE2 TYR A 123 1.954 17.198 12.888 1.00 11.42 C ATOM 1864 CZ TYR A 123 2.678 17.021 14.046 1.00 64.41 C ATOM 1865 OH TYR A 123 2.332 17.728 15.183 1.00 72.32 O ATOM 0 H TYR A 123 1.256 13.272 11.375 1.00 23.12 H new ATOM 0 HA TYR A 123 3.289 13.038 9.314 1.00 23.13 H new ATOM 0 HB2 TYR A 123 4.823 14.682 10.433 1.00 71.32 H new ATOM 0 HB3 TYR A 123 3.476 15.422 9.590 1.00 71.32 H new ATOM 0 HD1 TYR A 123 4.923 14.754 12.960 1.00 73.33 H new ATOM 0 HD2 TYR A 123 1.722 16.643 10.845 1.00 10.24 H new ATOM 0 HE1 TYR A 123 4.314 16.008 14.983 1.00 15.51 H new ATOM 0 HE2 TYR A 123 1.121 17.885 12.871 1.00 11.42 H new ATOM 0 HH TYR A 123 1.560 18.300 14.990 1.00 72.32 H new ATOM 1875 N LYS A 124 4.873 11.989 11.146 1.00 34.14 N ATOM 1876 CA LYS A 124 5.543 11.049 12.074 1.00 64.53 C ATOM 1877 C LYS A 124 6.070 11.800 13.325 1.00 50.31 C ATOM 1878 O LYS A 124 6.557 12.931 13.221 1.00 72.22 O ATOM 1879 CB LYS A 124 6.698 10.310 11.333 1.00 5.21 C ATOM 1880 CG LYS A 124 7.898 11.211 10.926 1.00 40.15 C ATOM 1881 CD LYS A 124 8.835 10.564 9.876 1.00 1.14 C ATOM 1882 CE LYS A 124 8.180 10.452 8.477 1.00 52.51 C ATOM 1883 NZ LYS A 124 9.111 9.909 7.460 1.00 21.33 N ATOM 0 H LYS A 124 5.450 12.272 10.354 1.00 34.14 H new ATOM 0 HA LYS A 124 4.820 10.307 12.414 1.00 64.53 H new ATOM 0 HB2 LYS A 124 7.066 9.508 11.973 1.00 5.21 H new ATOM 0 HB3 LYS A 124 6.293 9.842 10.436 1.00 5.21 H new ATOM 0 HG2 LYS A 124 7.516 12.151 10.529 1.00 40.15 H new ATOM 0 HG3 LYS A 124 8.478 11.453 11.817 1.00 40.15 H new ATOM 0 HD2 LYS A 124 9.749 11.153 9.799 1.00 1.14 H new ATOM 0 HD3 LYS A 124 9.125 9.570 10.217 1.00 1.14 H new ATOM 0 HE2 LYS A 124 7.301 9.811 8.541 1.00 52.51 H new ATOM 0 HE3 LYS A 124 7.834 11.436 8.161 1.00 52.51 H new ATOM 0 HZ1 LYS A 124 9.383 10.665 6.799 1.00 21.33 H new ATOM 0 HZ2 LYS A 124 9.961 9.538 7.930 1.00 21.33 H new ATOM 0 HZ3 LYS A 124 8.643 9.142 6.935 1.00 21.33 H new