USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=29 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= 0.336 X(o=0.75,f=0.64) USER MOD Set 1.2: A 106 THR OG1 : rot 170:sc= 0.411 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.421 (180deg=-0.775) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.00562 (180deg=0) USER MOD Single : A 3 SER OG : rot -75:sc= 0.0449 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.161 K(o=0.16,f=-3.2!) USER MOD Single : A 17 SER OG : rot 172:sc= 0.574 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= 0.326 (180deg=0.212) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 142:sc= -0.617 (180deg=-0.85) 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 33 MET CE :methyl -139:sc= -1.81 (180deg=-2.99!) USER MOD Single : A 35 THR OG1 : rot 120:sc= -0.755 USER MOD Single : A 41 ASN : amide:sc= 0.573 K(o=0.57,f=-5.2!) USER MOD Single : A 49 TYR OH : rot 1:sc= -0.196 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.657 F(o=-1.2,f=-0.66) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0.724 (180deg=0.702) USER MOD Single : A 64 THR OG1 : rot 76:sc= 0.258 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0.05 (180deg=0.0486) USER MOD Single : A 78 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.33) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.0904 X(o=0.09,f=0) USER MOD Single : A 85 CYS SG : rot -102:sc= 0.787 USER MOD Single : A 87 SER OG : rot 80:sc= 0.357 USER MOD Single : A 88 MET CE :methyl -127:sc= 0 (180deg=-0.22) USER MOD Single : A 90 ASN :FLIP amide:sc= -3.65! C(o=-4.3!,f=-3.6!) USER MOD Single : A 97 MET CE :methyl -166:sc= 0 (180deg=-0.447) USER MOD Single : A 98 GLN : amide:sc= 0.343 X(o=0.34,f=-0.0008) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.599 K(o=-0.6,f=-1.4) USER MOD Single : A 120 LYS NZ :NH3+ 130:sc=-0.00927 (180deg=-0.498) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -143:sc= -0.35 (180deg=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.067 0.184 -0.380 1.00 43.13 N ATOM 2 CA MET A 1 -12.711 -0.234 -0.840 1.00 1.10 C ATOM 3 C MET A 1 -12.772 -0.959 -2.212 1.00 3.24 C ATOM 4 O MET A 1 -13.725 -1.689 -2.499 1.00 53.20 O ATOM 5 CB MET A 1 -12.027 -1.147 0.223 1.00 41.23 C ATOM 6 CG MET A 1 -10.682 -1.735 -0.224 1.00 71.44 C ATOM 7 SD MET A 1 -9.952 -2.874 0.953 1.00 70.14 S ATOM 8 CE MET A 1 -9.162 -1.767 2.100 1.00 74.41 C ATOM 0 H1 MET A 1 -14.207 -0.116 0.606 1.00 43.13 H new ATOM 0 H2 MET A 1 -14.151 1.219 -0.443 1.00 43.13 H new ATOM 0 H3 MET A 1 -14.790 -0.259 -0.982 1.00 43.13 H new ATOM 0 HA MET A 1 -12.114 0.670 -0.965 1.00 1.10 H new ATOM 0 HB2 MET A 1 -11.873 -0.571 1.135 1.00 41.23 H new ATOM 0 HB3 MET A 1 -12.703 -1.965 0.472 1.00 41.23 H new ATOM 0 HG2 MET A 1 -10.821 -2.251 -1.174 1.00 71.44 H new ATOM 0 HG3 MET A 1 -9.983 -0.918 -0.404 1.00 71.44 H new ATOM 0 HE1 MET A 1 -8.888 -2.313 3.003 1.00 74.41 H new ATOM 0 HE2 MET A 1 -8.265 -1.348 1.643 1.00 74.41 H new ATOM 0 HE3 MET A 1 -9.848 -0.960 2.358 1.00 74.41 H new ATOM 20 N ARG A 2 -11.731 -0.742 -3.042 1.00 35.22 N ATOM 21 CA ARG A 2 -11.532 -1.439 -4.339 1.00 33.21 C ATOM 22 C ARG A 2 -10.590 -2.665 -4.175 1.00 55.40 C ATOM 23 O ARG A 2 -9.778 -2.706 -3.245 1.00 42.45 O ATOM 24 CB ARG A 2 -10.929 -0.447 -5.358 1.00 33.41 C ATOM 25 CG ARG A 2 -11.777 0.819 -5.623 1.00 51.02 C ATOM 26 CD ARG A 2 -13.132 0.485 -6.260 1.00 40.01 C ATOM 27 NE ARG A 2 -12.963 -0.237 -7.535 1.00 55.03 N ATOM 28 CZ ARG A 2 -13.864 -0.983 -8.127 1.00 71.31 C ATOM 29 NH1 ARG A 2 -15.030 -1.192 -7.603 1.00 60.12 N ATOM 30 NH2 ARG A 2 -13.570 -1.528 -9.256 1.00 40.33 N ATOM 0 H ARG A 2 -10.993 -0.070 -2.832 1.00 35.22 H new ATOM 0 HA ARG A 2 -12.497 -1.800 -4.696 1.00 33.21 H new ATOM 0 HB2 ARG A 2 -9.946 -0.139 -5.003 1.00 33.41 H new ATOM 0 HB3 ARG A 2 -10.778 -0.968 -6.303 1.00 33.41 H new ATOM 0 HG2 ARG A 2 -11.939 1.349 -4.684 1.00 51.02 H new ATOM 0 HG3 ARG A 2 -11.226 1.493 -6.278 1.00 51.02 H new ATOM 0 HD2 ARG A 2 -13.720 -0.122 -5.571 1.00 40.01 H new ATOM 0 HD3 ARG A 2 -13.692 1.404 -6.432 1.00 40.01 H new ATOM 0 HE ARG A 2 -12.060 -0.147 -8.000 1.00 55.03 H new ATOM 0 HH11 ARG A 2 -15.268 -0.771 -6.705 1.00 60.12 H new ATOM 0 HH12 ARG A 2 -15.710 -1.777 -8.088 1.00 60.12 H new ATOM 0 HH21 ARG A 2 -12.651 -1.375 -9.672 1.00 40.33 H new ATOM 0 HH22 ARG A 2 -14.256 -2.112 -9.734 1.00 40.33 H new ATOM 44 N SER A 3 -10.680 -3.639 -5.108 1.00 54.22 N ATOM 45 CA SER A 3 -9.927 -4.925 -5.018 1.00 50.40 C ATOM 46 C SER A 3 -8.438 -4.780 -5.413 1.00 62.32 C ATOM 47 O SER A 3 -8.094 -3.936 -6.234 1.00 3.43 O ATOM 48 CB SER A 3 -10.601 -6.005 -5.898 1.00 10.55 C ATOM 49 OG SER A 3 -11.925 -6.294 -5.452 1.00 33.41 O ATOM 0 H SER A 3 -11.268 -3.565 -5.938 1.00 54.22 H new ATOM 0 HA SER A 3 -9.954 -5.229 -3.972 1.00 50.40 H new ATOM 0 HB2 SER A 3 -10.631 -5.665 -6.933 1.00 10.55 H new ATOM 0 HB3 SER A 3 -10.003 -6.916 -5.879 1.00 10.55 H new ATOM 0 HG SER A 3 -11.884 -6.834 -4.635 1.00 33.41 H new ATOM 55 N ALA A 4 -7.582 -5.659 -4.842 1.00 42.55 N ATOM 56 CA ALA A 4 -6.108 -5.638 -5.025 1.00 73.12 C ATOM 57 C ALA A 4 -5.679 -5.628 -6.511 1.00 31.12 C ATOM 58 O ALA A 4 -4.920 -4.760 -6.937 1.00 20.20 O ATOM 59 CB ALA A 4 -5.475 -6.838 -4.295 1.00 62.13 C ATOM 0 H ALA A 4 -7.898 -6.414 -4.233 1.00 42.55 H new ATOM 0 HA ALA A 4 -5.747 -4.704 -4.593 1.00 73.12 H new ATOM 0 HB1 ALA A 4 -4.394 -6.818 -4.432 1.00 62.13 H new ATOM 0 HB2 ALA A 4 -5.707 -6.781 -3.232 1.00 62.13 H new ATOM 0 HB3 ALA A 4 -5.876 -7.765 -4.704 1.00 62.13 H new ATOM 65 N THR A 5 -6.196 -6.596 -7.287 1.00 12.41 N ATOM 66 CA THR A 5 -5.901 -6.721 -8.740 1.00 64.22 C ATOM 67 C THR A 5 -6.384 -5.492 -9.555 1.00 62.32 C ATOM 68 O THR A 5 -5.668 -5.009 -10.434 1.00 2.12 O ATOM 69 CB THR A 5 -6.504 -8.037 -9.338 1.00 74.31 C ATOM 70 OG1 THR A 5 -6.372 -8.060 -10.770 1.00 61.14 O ATOM 71 CG2 THR A 5 -7.976 -8.255 -8.941 1.00 2.02 C ATOM 0 H THR A 5 -6.828 -7.315 -6.935 1.00 12.41 H new ATOM 0 HA THR A 5 -4.815 -6.764 -8.824 1.00 64.22 H new ATOM 0 HB THR A 5 -5.928 -8.858 -8.910 1.00 74.31 H new ATOM 0 HG1 THR A 5 -6.754 -8.892 -11.120 1.00 61.14 H new ATOM 0 HG21 THR A 5 -8.339 -9.182 -9.385 1.00 2.02 H new ATOM 0 HG22 THR A 5 -8.055 -8.317 -7.856 1.00 2.02 H new ATOM 0 HG23 THR A 5 -8.577 -7.420 -9.301 1.00 2.02 H new ATOM 79 N ASP A 6 -7.589 -4.991 -9.225 1.00 5.41 N ATOM 80 CA ASP A 6 -8.183 -3.762 -9.820 1.00 22.51 C ATOM 81 C ASP A 6 -7.235 -2.535 -9.672 1.00 31.21 C ATOM 82 O ASP A 6 -7.022 -1.767 -10.615 1.00 20.01 O ATOM 83 CB ASP A 6 -9.550 -3.511 -9.122 1.00 20.52 C ATOM 84 CG ASP A 6 -10.304 -2.262 -9.604 1.00 13.24 C ATOM 85 OD1 ASP A 6 -10.914 -2.311 -10.693 1.00 33.53 O ATOM 86 OD2 ASP A 6 -10.321 -1.240 -8.881 1.00 11.14 O ATOM 0 H ASP A 6 -8.192 -5.429 -8.529 1.00 5.41 H new ATOM 0 HA ASP A 6 -8.329 -3.903 -10.891 1.00 22.51 H new ATOM 0 HB2 ASP A 6 -10.186 -4.383 -9.276 1.00 20.52 H new ATOM 0 HB3 ASP A 6 -9.383 -3.425 -8.048 1.00 20.52 H new ATOM 91 N LEU A 7 -6.684 -2.387 -8.469 1.00 33.31 N ATOM 92 CA LEU A 7 -5.731 -1.310 -8.114 1.00 3.53 C ATOM 93 C LEU A 7 -4.328 -1.529 -8.723 1.00 13.32 C ATOM 94 O LEU A 7 -3.630 -0.564 -9.067 1.00 54.22 O ATOM 95 CB LEU A 7 -5.653 -1.234 -6.579 1.00 34.44 C ATOM 96 CG LEU A 7 -7.027 -1.001 -5.883 1.00 21.40 C ATOM 97 CD1 LEU A 7 -6.929 -1.202 -4.369 1.00 3.41 C ATOM 98 CD2 LEU A 7 -7.596 0.387 -6.239 1.00 72.01 C ATOM 0 H LEU A 7 -6.884 -3.017 -7.692 1.00 33.31 H new ATOM 0 HA LEU A 7 -6.093 -0.370 -8.531 1.00 3.53 H new ATOM 0 HB2 LEU A 7 -5.219 -2.160 -6.202 1.00 34.44 H new ATOM 0 HB3 LEU A 7 -4.975 -0.427 -6.300 1.00 34.44 H new ATOM 0 HG LEU A 7 -7.724 -1.749 -6.259 1.00 21.40 H new ATOM 0 HD11 LEU A 7 -7.905 -1.032 -3.915 1.00 3.41 H new ATOM 0 HD12 LEU A 7 -6.603 -2.221 -4.158 1.00 3.41 H new ATOM 0 HD13 LEU A 7 -6.208 -0.497 -3.954 1.00 3.41 H new ATOM 0 HD21 LEU A 7 -8.556 0.526 -5.741 1.00 72.01 H new ATOM 0 HD22 LEU A 7 -6.902 1.160 -5.910 1.00 72.01 H new ATOM 0 HD23 LEU A 7 -7.734 0.458 -7.318 1.00 72.01 H new ATOM 110 N LEU A 8 -3.929 -2.803 -8.846 1.00 4.45 N ATOM 111 CA LEU A 8 -2.629 -3.193 -9.434 1.00 23.54 C ATOM 112 C LEU A 8 -2.593 -2.859 -10.946 1.00 4.11 C ATOM 113 O LEU A 8 -1.535 -2.540 -11.498 1.00 51.02 O ATOM 114 CB LEU A 8 -2.366 -4.709 -9.196 1.00 12.32 C ATOM 115 CG LEU A 8 -0.897 -5.195 -9.424 1.00 30.22 C ATOM 116 CD1 LEU A 8 0.077 -4.490 -8.454 1.00 63.53 C ATOM 117 CD2 LEU A 8 -0.788 -6.733 -9.299 1.00 13.31 C ATOM 0 H LEU A 8 -4.495 -3.596 -8.542 1.00 4.45 H new ATOM 0 HA LEU A 8 -1.839 -2.624 -8.944 1.00 23.54 H new ATOM 0 HB2 LEU A 8 -2.653 -4.951 -8.173 1.00 12.32 H new ATOM 0 HB3 LEU A 8 -3.022 -5.279 -9.854 1.00 12.32 H new ATOM 0 HG LEU A 8 -0.613 -4.925 -10.441 1.00 30.22 H new ATOM 0 HD11 LEU A 8 1.091 -4.846 -8.634 1.00 63.53 H new ATOM 0 HD12 LEU A 8 0.037 -3.413 -8.617 1.00 63.53 H new ATOM 0 HD13 LEU A 8 -0.209 -4.713 -7.426 1.00 63.53 H new ATOM 0 HD21 LEU A 8 0.245 -7.039 -9.463 1.00 13.31 H new ATOM 0 HD22 LEU A 8 -1.104 -7.040 -8.302 1.00 13.31 H new ATOM 0 HD23 LEU A 8 -1.429 -7.205 -10.044 1.00 13.31 H new ATOM 129 N ASP A 9 -3.778 -2.930 -11.590 1.00 14.43 N ATOM 130 CA ASP A 9 -3.975 -2.530 -13.003 1.00 4.55 C ATOM 131 C ASP A 9 -3.643 -1.043 -13.256 1.00 2.13 C ATOM 132 O ASP A 9 -3.235 -0.693 -14.372 1.00 44.20 O ATOM 133 CB ASP A 9 -5.427 -2.820 -13.462 1.00 31.45 C ATOM 134 CG ASP A 9 -5.741 -4.317 -13.581 1.00 21.30 C ATOM 135 OD1 ASP A 9 -4.926 -5.055 -14.182 1.00 11.03 O ATOM 136 OD2 ASP A 9 -6.824 -4.753 -13.132 1.00 5.43 O ATOM 0 H ASP A 9 -4.630 -3.268 -11.143 1.00 14.43 H new ATOM 0 HA ASP A 9 -3.277 -3.129 -13.588 1.00 4.55 H new ATOM 0 HB2 ASP A 9 -6.121 -2.366 -12.755 1.00 31.45 H new ATOM 0 HB3 ASP A 9 -5.597 -2.343 -14.427 1.00 31.45 H new ATOM 141 N GLU A 10 -3.846 -0.166 -12.237 1.00 64.11 N ATOM 142 CA GLU A 10 -3.459 1.263 -12.355 1.00 61.41 C ATOM 143 C GLU A 10 -1.938 1.377 -12.589 1.00 22.52 C ATOM 144 O GLU A 10 -1.507 1.986 -13.557 1.00 74.23 O ATOM 145 CB GLU A 10 -3.848 2.122 -11.107 1.00 22.21 C ATOM 146 CG GLU A 10 -3.559 3.643 -11.287 1.00 0.43 C ATOM 147 CD GLU A 10 -3.693 4.494 -10.009 1.00 34.13 C ATOM 148 OE1 GLU A 10 -4.836 4.862 -9.635 1.00 51.02 O ATOM 149 OE2 GLU A 10 -2.653 4.792 -9.367 1.00 61.52 O ATOM 0 H GLU A 10 -4.267 -0.418 -11.343 1.00 64.11 H new ATOM 0 HA GLU A 10 -4.016 1.660 -13.204 1.00 61.41 H new ATOM 0 HB2 GLU A 10 -4.909 1.984 -10.897 1.00 22.21 H new ATOM 0 HB3 GLU A 10 -3.300 1.756 -10.238 1.00 22.21 H new ATOM 0 HG2 GLU A 10 -2.548 3.760 -11.678 1.00 0.43 H new ATOM 0 HG3 GLU A 10 -4.240 4.039 -12.041 1.00 0.43 H new ATOM 156 N LEU A 11 -1.145 0.737 -11.708 1.00 42.05 N ATOM 157 CA LEU A 11 0.340 0.791 -11.740 1.00 54.54 C ATOM 158 C LEU A 11 0.950 -0.029 -12.910 1.00 54.00 C ATOM 159 O LEU A 11 2.046 0.271 -13.390 1.00 33.34 O ATOM 160 CB LEU A 11 0.883 0.303 -10.377 1.00 4.43 C ATOM 161 CG LEU A 11 0.374 1.114 -9.146 1.00 23.42 C ATOM 162 CD1 LEU A 11 0.898 0.523 -7.827 1.00 73.35 C ATOM 163 CD2 LEU A 11 0.735 2.612 -9.278 1.00 53.14 C ATOM 0 H LEU A 11 -1.513 0.164 -10.948 1.00 42.05 H new ATOM 0 HA LEU A 11 0.640 1.824 -11.916 1.00 54.54 H new ATOM 0 HB2 LEU A 11 0.608 -0.743 -10.245 1.00 4.43 H new ATOM 0 HB3 LEU A 11 1.972 0.346 -10.398 1.00 4.43 H new ATOM 0 HG LEU A 11 -0.713 1.037 -9.126 1.00 23.42 H new ATOM 0 HD11 LEU A 11 0.524 1.113 -6.990 1.00 73.35 H new ATOM 0 HD12 LEU A 11 0.554 -0.507 -7.728 1.00 73.35 H new ATOM 0 HD13 LEU A 11 1.988 0.543 -7.827 1.00 73.35 H new ATOM 0 HD21 LEU A 11 0.368 3.153 -8.406 1.00 53.14 H new ATOM 0 HD22 LEU A 11 1.818 2.721 -9.343 1.00 53.14 H new ATOM 0 HD23 LEU A 11 0.274 3.019 -10.178 1.00 53.14 H new ATOM 175 N ASN A 12 0.233 -1.072 -13.352 1.00 22.44 N ATOM 176 CA ASN A 12 0.573 -1.830 -14.585 1.00 21.02 C ATOM 177 C ASN A 12 0.283 -1.006 -15.868 1.00 63.11 C ATOM 178 O ASN A 12 0.681 -1.401 -16.969 1.00 74.45 O ATOM 179 CB ASN A 12 -0.187 -3.190 -14.599 1.00 32.05 C ATOM 180 CG ASN A 12 0.425 -4.211 -13.634 1.00 63.24 C ATOM 181 OD1 ASN A 12 1.631 -4.261 -13.470 1.00 43.11 O ATOM 182 ND2 ASN A 12 -0.390 -5.019 -12.983 1.00 61.13 N ATOM 0 H ASN A 12 -0.598 -1.420 -12.873 1.00 22.44 H new ATOM 0 HA ASN A 12 1.645 -2.029 -14.578 1.00 21.02 H new ATOM 0 HB2 ASN A 12 -1.231 -3.023 -14.333 1.00 32.05 H new ATOM 0 HB3 ASN A 12 -0.177 -3.598 -15.610 1.00 32.05 H new ATOM 0 HD21 ASN A 12 -0.013 -5.703 -12.327 1.00 61.13 H new ATOM 0 HD22 ASN A 12 -1.397 -4.960 -13.136 1.00 61.13 H new ATOM 189 N ALA A 13 -0.425 0.129 -15.706 1.00 25.22 N ATOM 190 CA ALA A 13 -0.658 1.116 -16.784 1.00 21.01 C ATOM 191 C ALA A 13 0.252 2.371 -16.631 1.00 54.04 C ATOM 192 O ALA A 13 0.703 2.935 -17.633 1.00 62.42 O ATOM 193 CB ALA A 13 -2.139 1.516 -16.803 1.00 73.21 C ATOM 0 H ALA A 13 -0.855 0.390 -14.819 1.00 25.22 H new ATOM 0 HA ALA A 13 -0.397 0.650 -17.734 1.00 21.01 H new ATOM 0 HB1 ALA A 13 -2.309 2.243 -17.597 1.00 73.21 H new ATOM 0 HB2 ALA A 13 -2.752 0.633 -16.982 1.00 73.21 H new ATOM 0 HB3 ALA A 13 -2.409 1.957 -15.843 1.00 73.21 H new ATOM 199 N VAL A 14 0.514 2.807 -15.373 1.00 75.43 N ATOM 200 CA VAL A 14 1.386 3.978 -15.070 1.00 20.23 C ATOM 201 C VAL A 14 2.636 3.552 -14.242 1.00 63.13 C ATOM 202 O VAL A 14 2.527 3.031 -13.129 1.00 65.03 O ATOM 203 CB VAL A 14 0.602 5.171 -14.356 1.00 44.24 C ATOM 204 CG1 VAL A 14 -0.460 5.790 -15.305 1.00 13.31 C ATOM 205 CG2 VAL A 14 -0.053 4.750 -13.001 1.00 71.31 C ATOM 0 H VAL A 14 0.130 2.361 -14.540 1.00 75.43 H new ATOM 0 HA VAL A 14 1.726 4.364 -16.031 1.00 20.23 H new ATOM 0 HB VAL A 14 1.351 5.928 -14.122 1.00 44.24 H new ATOM 0 HG11 VAL A 14 -0.978 6.600 -14.792 1.00 13.31 H new ATOM 0 HG12 VAL A 14 0.032 6.181 -16.196 1.00 13.31 H new ATOM 0 HG13 VAL A 14 -1.180 5.024 -15.594 1.00 13.31 H new ATOM 0 HG21 VAL A 14 -0.570 5.605 -12.566 1.00 71.31 H new ATOM 0 HG22 VAL A 14 -0.766 3.945 -13.176 1.00 71.31 H new ATOM 0 HG23 VAL A 14 0.720 4.406 -12.314 1.00 71.31 H new ATOM 215 N ASP A 15 3.820 3.760 -14.849 1.00 10.02 N ATOM 216 CA ASP A 15 5.145 3.482 -14.236 1.00 63.01 C ATOM 217 C ASP A 15 5.316 4.256 -12.895 1.00 24.23 C ATOM 218 O ASP A 15 5.796 3.707 -11.897 1.00 15.03 O ATOM 219 CB ASP A 15 6.257 3.860 -15.254 1.00 74.23 C ATOM 220 CG ASP A 15 7.679 3.598 -14.737 1.00 71.34 C ATOM 221 OD1 ASP A 15 8.124 2.429 -14.737 1.00 73.04 O ATOM 222 OD2 ASP A 15 8.363 4.556 -14.317 1.00 0.23 O ATOM 0 H ASP A 15 3.890 4.132 -15.796 1.00 10.02 H new ATOM 0 HA ASP A 15 5.221 2.421 -14.000 1.00 63.01 H new ATOM 0 HB2 ASP A 15 6.104 3.295 -16.173 1.00 74.23 H new ATOM 0 HB3 ASP A 15 6.161 4.915 -15.509 1.00 74.23 H new ATOM 227 N GLU A 16 4.924 5.541 -12.910 1.00 61.35 N ATOM 228 CA GLU A 16 4.808 6.388 -11.695 1.00 24.33 C ATOM 229 C GLU A 16 3.432 6.180 -11.015 1.00 22.32 C ATOM 230 O GLU A 16 2.444 5.917 -11.685 1.00 41.43 O ATOM 231 CB GLU A 16 4.997 7.878 -12.082 1.00 13.50 C ATOM 232 CG GLU A 16 4.008 8.378 -13.159 1.00 41.31 C ATOM 233 CD GLU A 16 4.299 9.806 -13.628 1.00 61.04 C ATOM 234 OE1 GLU A 16 5.239 9.992 -14.433 1.00 30.45 O ATOM 235 OE2 GLU A 16 3.604 10.752 -13.195 1.00 2.54 O ATOM 0 H GLU A 16 4.675 6.032 -13.769 1.00 61.35 H new ATOM 0 HA GLU A 16 5.584 6.099 -10.986 1.00 24.33 H new ATOM 0 HB2 GLU A 16 4.886 8.492 -11.188 1.00 13.50 H new ATOM 0 HB3 GLU A 16 6.015 8.023 -12.443 1.00 13.50 H new ATOM 0 HG2 GLU A 16 4.044 7.706 -14.017 1.00 41.31 H new ATOM 0 HG3 GLU A 16 2.994 8.332 -12.761 1.00 41.31 H new ATOM 242 N SER A 17 3.372 6.328 -9.684 1.00 70.34 N ATOM 243 CA SER A 17 2.133 6.072 -8.897 1.00 60.22 C ATOM 244 C SER A 17 1.229 7.322 -8.819 1.00 75.53 C ATOM 245 O SER A 17 1.697 8.404 -8.456 1.00 51.53 O ATOM 246 CB SER A 17 2.498 5.621 -7.472 1.00 24.25 C ATOM 247 OG SER A 17 3.198 4.389 -7.477 1.00 52.23 O ATOM 0 H SER A 17 4.166 6.625 -9.117 1.00 70.34 H new ATOM 0 HA SER A 17 1.580 5.285 -9.410 1.00 60.22 H new ATOM 0 HB2 SER A 17 3.110 6.386 -6.993 1.00 24.25 H new ATOM 0 HB3 SER A 17 1.590 5.521 -6.878 1.00 24.25 H new ATOM 0 HG SER A 17 3.528 4.197 -6.575 1.00 52.23 H new ATOM 253 N ALA A 18 -0.073 7.160 -9.139 1.00 34.11 N ATOM 254 CA ALA A 18 -1.060 8.268 -9.082 1.00 71.45 C ATOM 255 C ALA A 18 -1.848 8.255 -7.741 1.00 40.33 C ATOM 256 O ALA A 18 -1.740 9.189 -6.934 1.00 1.11 O ATOM 257 CB ALA A 18 -2.002 8.175 -10.297 1.00 65.03 C ATOM 0 H ALA A 18 -0.469 6.270 -9.441 1.00 34.11 H new ATOM 0 HA ALA A 18 -0.530 9.220 -9.123 1.00 71.45 H new ATOM 0 HB1 ALA A 18 -2.728 8.987 -10.258 1.00 65.03 H new ATOM 0 HB2 ALA A 18 -1.420 8.252 -11.215 1.00 65.03 H new ATOM 0 HB3 ALA A 18 -2.526 7.219 -10.279 1.00 65.03 H new ATOM 263 N ARG A 19 -2.647 7.192 -7.514 1.00 13.10 N ATOM 264 CA ARG A 19 -3.419 6.994 -6.251 1.00 31.43 C ATOM 265 C ARG A 19 -3.015 5.691 -5.523 1.00 73.21 C ATOM 266 O ARG A 19 -3.379 5.504 -4.357 1.00 2.43 O ATOM 267 CB ARG A 19 -4.966 6.955 -6.509 1.00 54.23 C ATOM 268 CG ARG A 19 -5.647 8.307 -6.863 1.00 54.05 C ATOM 269 CD ARG A 19 -5.322 8.821 -8.278 1.00 42.11 C ATOM 270 NE ARG A 19 -5.618 7.813 -9.313 1.00 2.23 N ATOM 271 CZ ARG A 19 -5.681 8.035 -10.601 1.00 44.25 C ATOM 272 NH1 ARG A 19 -5.474 9.207 -11.101 1.00 35.21 N ATOM 273 NH2 ARG A 19 -5.923 7.054 -11.388 1.00 52.44 N ATOM 0 H ARG A 19 -2.781 6.444 -8.194 1.00 13.10 H new ATOM 0 HA ARG A 19 -3.177 7.851 -5.622 1.00 31.43 H new ATOM 0 HB2 ARG A 19 -5.158 6.254 -7.321 1.00 54.23 H new ATOM 0 HB3 ARG A 19 -5.450 6.553 -5.619 1.00 54.23 H new ATOM 0 HG2 ARG A 19 -6.727 8.194 -6.768 1.00 54.05 H new ATOM 0 HG3 ARG A 19 -5.340 9.058 -6.135 1.00 54.05 H new ATOM 0 HD2 ARG A 19 -5.898 9.725 -8.477 1.00 42.11 H new ATOM 0 HD3 ARG A 19 -4.269 9.096 -8.331 1.00 42.11 H new ATOM 0 HE ARG A 19 -5.789 6.858 -8.997 1.00 2.23 H new ATOM 0 HH11 ARG A 19 -5.254 9.992 -10.487 1.00 35.21 H new ATOM 0 HH12 ARG A 19 -5.530 9.348 -12.110 1.00 35.21 H new ATOM 0 HH21 ARG A 19 -6.063 6.118 -11.008 1.00 52.44 H new ATOM 0 HH22 ARG A 19 -5.976 7.209 -12.395 1.00 52.44 H new ATOM 287 N ILE A 20 -2.295 4.773 -6.208 1.00 62.12 N ATOM 288 CA ILE A 20 -1.981 3.424 -5.653 1.00 54.12 C ATOM 289 C ILE A 20 -0.464 3.275 -5.410 1.00 2.34 C ATOM 290 O ILE A 20 0.341 3.766 -6.192 1.00 21.12 O ATOM 291 CB ILE A 20 -2.471 2.256 -6.607 1.00 5.32 C ATOM 292 CG1 ILE A 20 -3.925 2.504 -7.117 1.00 44.30 C ATOM 293 CG2 ILE A 20 -2.364 0.869 -5.914 1.00 52.23 C ATOM 294 CD1 ILE A 20 -4.966 2.751 -6.045 1.00 73.01 C ATOM 0 H ILE A 20 -1.919 4.935 -7.142 1.00 62.12 H new ATOM 0 HA ILE A 20 -2.518 3.342 -4.708 1.00 54.12 H new ATOM 0 HB ILE A 20 -1.807 2.252 -7.471 1.00 5.32 H new ATOM 0 HG12 ILE A 20 -3.913 3.362 -7.790 1.00 44.30 H new ATOM 0 HG13 ILE A 20 -4.235 1.641 -7.706 1.00 44.30 H new ATOM 0 HG21 ILE A 20 -2.708 0.093 -6.598 1.00 52.23 H new ATOM 0 HG22 ILE A 20 -1.326 0.678 -5.641 1.00 52.23 H new ATOM 0 HG23 ILE A 20 -2.982 0.862 -5.016 1.00 52.23 H new ATOM 0 HD11 ILE A 20 -5.938 2.911 -6.512 1.00 73.01 H new ATOM 0 HD12 ILE A 20 -5.019 1.887 -5.383 1.00 73.01 H new ATOM 0 HD13 ILE A 20 -4.691 3.634 -5.468 1.00 73.01 H new ATOM 306 N GLU A 21 -0.082 2.584 -4.323 1.00 60.25 N ATOM 307 CA GLU A 21 1.331 2.294 -3.999 1.00 41.20 C ATOM 308 C GLU A 21 1.529 0.793 -3.735 1.00 33.31 C ATOM 309 O GLU A 21 1.064 0.267 -2.729 1.00 44.41 O ATOM 310 CB GLU A 21 1.773 3.145 -2.765 1.00 0.21 C ATOM 311 CG GLU A 21 2.247 4.575 -3.116 1.00 22.23 C ATOM 312 CD GLU A 21 3.720 4.633 -3.575 1.00 61.14 C ATOM 313 OE1 GLU A 21 4.043 4.106 -4.660 1.00 21.24 O ATOM 314 OE2 GLU A 21 4.569 5.165 -2.824 1.00 32.11 O ATOM 0 H GLU A 21 -0.742 2.209 -3.642 1.00 60.25 H new ATOM 0 HA GLU A 21 1.955 2.565 -4.851 1.00 41.20 H new ATOM 0 HB2 GLU A 21 0.939 3.212 -2.067 1.00 0.21 H new ATOM 0 HB3 GLU A 21 2.579 2.624 -2.249 1.00 0.21 H new ATOM 0 HG2 GLU A 21 1.612 4.978 -3.905 1.00 22.23 H new ATOM 0 HG3 GLU A 21 2.119 5.217 -2.244 1.00 22.23 H new ATOM 321 N ALA A 22 2.268 0.123 -4.630 1.00 50.20 N ATOM 322 CA ALA A 22 2.575 -1.313 -4.513 1.00 23.15 C ATOM 323 C ALA A 22 3.909 -1.503 -3.771 1.00 51.41 C ATOM 324 O ALA A 22 4.948 -1.016 -4.224 1.00 20.53 O ATOM 325 CB ALA A 22 2.623 -1.958 -5.905 1.00 14.42 C ATOM 0 H ALA A 22 2.672 0.561 -5.458 1.00 50.20 H new ATOM 0 HA ALA A 22 1.789 -1.804 -3.939 1.00 23.15 H new ATOM 0 HB1 ALA A 22 2.851 -3.019 -5.807 1.00 14.42 H new ATOM 0 HB2 ALA A 22 1.657 -1.838 -6.395 1.00 14.42 H new ATOM 0 HB3 ALA A 22 3.396 -1.475 -6.503 1.00 14.42 H new ATOM 331 N LYS A 23 3.863 -2.174 -2.612 1.00 25.34 N ATOM 332 CA LYS A 23 5.043 -2.425 -1.759 1.00 64.23 C ATOM 333 C LYS A 23 5.215 -3.939 -1.499 1.00 31.12 C ATOM 334 O LYS A 23 4.236 -4.678 -1.352 1.00 41.43 O ATOM 335 CB LYS A 23 4.901 -1.677 -0.401 1.00 34.41 C ATOM 336 CG LYS A 23 4.644 -0.151 -0.510 1.00 51.22 C ATOM 337 CD LYS A 23 5.745 0.598 -1.299 1.00 24.44 C ATOM 338 CE LYS A 23 5.437 2.095 -1.475 1.00 33.05 C ATOM 339 NZ LYS A 23 6.409 2.757 -2.388 1.00 31.43 N ATOM 0 H LYS A 23 3.000 -2.563 -2.233 1.00 25.34 H new ATOM 0 HA LYS A 23 5.923 -2.053 -2.283 1.00 64.23 H new ATOM 0 HB2 LYS A 23 4.082 -2.128 0.160 1.00 34.41 H new ATOM 0 HB3 LYS A 23 5.810 -1.835 0.179 1.00 34.41 H new ATOM 0 HG2 LYS A 23 3.682 0.015 -0.995 1.00 51.22 H new ATOM 0 HG3 LYS A 23 4.573 0.271 0.492 1.00 51.22 H new ATOM 0 HD2 LYS A 23 6.697 0.486 -0.781 1.00 24.44 H new ATOM 0 HD3 LYS A 23 5.860 0.137 -2.280 1.00 24.44 H new ATOM 0 HE2 LYS A 23 4.428 2.214 -1.870 1.00 33.05 H new ATOM 0 HE3 LYS A 23 5.459 2.587 -0.503 1.00 33.05 H new ATOM 0 HZ1 LYS A 23 6.019 3.666 -2.710 1.00 31.43 H new ATOM 0 HZ2 LYS A 23 7.303 2.923 -1.883 1.00 31.43 H new ATOM 0 HZ3 LYS A 23 6.585 2.145 -3.211 1.00 31.43 H new ATOM 353 N ARG A 24 6.475 -4.382 -1.461 1.00 71.01 N ATOM 354 CA ARG A 24 6.849 -5.753 -1.039 1.00 43.54 C ATOM 355 C ARG A 24 7.095 -5.808 0.491 1.00 64.35 C ATOM 356 O ARG A 24 7.057 -4.775 1.179 1.00 3.01 O ATOM 357 CB ARG A 24 8.114 -6.214 -1.828 1.00 11.23 C ATOM 358 CG ARG A 24 9.297 -5.229 -1.753 1.00 4.43 C ATOM 359 CD ARG A 24 10.503 -5.615 -2.626 1.00 0.53 C ATOM 360 NE ARG A 24 11.530 -4.554 -2.601 1.00 33.23 N ATOM 361 CZ ARG A 24 12.819 -4.724 -2.797 1.00 20.24 C ATOM 362 NH1 ARG A 24 13.329 -5.904 -2.999 1.00 63.53 N ATOM 363 NH2 ARG A 24 13.597 -3.700 -2.779 1.00 11.14 N ATOM 0 H ARG A 24 7.274 -3.804 -1.721 1.00 71.01 H new ATOM 0 HA ARG A 24 6.028 -6.433 -1.264 1.00 43.54 H new ATOM 0 HB2 ARG A 24 8.436 -7.182 -1.443 1.00 11.23 H new ATOM 0 HB3 ARG A 24 7.843 -6.361 -2.874 1.00 11.23 H new ATOM 0 HG2 ARG A 24 8.950 -4.240 -2.052 1.00 4.43 H new ATOM 0 HG3 ARG A 24 9.625 -5.152 -0.716 1.00 4.43 H new ATOM 0 HD2 ARG A 24 10.932 -6.551 -2.268 1.00 0.53 H new ATOM 0 HD3 ARG A 24 10.175 -5.786 -3.651 1.00 0.53 H new ATOM 0 HE ARG A 24 11.210 -3.603 -2.415 1.00 33.23 H new ATOM 0 HH11 ARG A 24 12.725 -6.726 -3.008 1.00 63.53 H new ATOM 0 HH12 ARG A 24 14.333 -6.007 -3.148 1.00 63.53 H new ATOM 0 HH21 ARG A 24 13.212 -2.770 -2.614 1.00 11.14 H new ATOM 0 HH22 ARG A 24 14.599 -3.818 -2.930 1.00 11.14 H new ATOM 377 N ALA A 25 7.335 -7.027 1.010 1.00 63.45 N ATOM 378 CA ALA A 25 7.674 -7.249 2.442 1.00 11.05 C ATOM 379 C ALA A 25 8.931 -6.440 2.882 1.00 62.15 C ATOM 380 O ALA A 25 8.986 -5.922 4.004 1.00 2.21 O ATOM 381 CB ALA A 25 7.869 -8.755 2.698 1.00 5.41 C ATOM 0 H ALA A 25 7.302 -7.885 0.459 1.00 63.45 H new ATOM 0 HA ALA A 25 6.843 -6.885 3.047 1.00 11.05 H new ATOM 0 HB1 ALA A 25 8.117 -8.917 3.747 1.00 5.41 H new ATOM 0 HB2 ALA A 25 6.949 -9.287 2.457 1.00 5.41 H new ATOM 0 HB3 ALA A 25 8.679 -9.129 2.072 1.00 5.41 H new ATOM 387 N SER A 26 9.927 -6.344 1.977 1.00 34.00 N ATOM 388 CA SER A 26 11.173 -5.556 2.189 1.00 41.41 C ATOM 389 C SER A 26 10.934 -4.038 2.420 1.00 1.44 C ATOM 390 O SER A 26 11.791 -3.367 2.996 1.00 34.14 O ATOM 391 CB SER A 26 12.124 -5.737 0.978 1.00 42.34 C ATOM 392 OG SER A 26 12.370 -7.111 0.712 1.00 74.23 O ATOM 0 H SER A 26 9.895 -6.812 1.071 1.00 34.00 H new ATOM 0 HA SER A 26 11.618 -5.947 3.104 1.00 41.41 H new ATOM 0 HB2 SER A 26 11.687 -5.267 0.097 1.00 42.34 H new ATOM 0 HB3 SER A 26 13.068 -5.229 1.175 1.00 42.34 H new ATOM 0 HG SER A 26 12.971 -7.193 -0.058 1.00 74.23 H new ATOM 398 N ASP A 27 9.791 -3.495 1.948 1.00 33.24 N ATOM 399 CA ASP A 27 9.487 -2.041 2.055 1.00 24.32 C ATOM 400 C ASP A 27 8.779 -1.658 3.374 1.00 25.41 C ATOM 401 O ASP A 27 8.702 -0.466 3.699 1.00 3.34 O ATOM 402 CB ASP A 27 8.622 -1.587 0.848 1.00 70.32 C ATOM 403 CG ASP A 27 9.287 -1.811 -0.519 1.00 1.42 C ATOM 404 OD1 ASP A 27 10.536 -1.890 -0.593 1.00 72.01 O ATOM 405 OD2 ASP A 27 8.566 -1.886 -1.527 1.00 52.22 O ATOM 0 H ASP A 27 9.060 -4.037 1.488 1.00 33.24 H new ATOM 0 HA ASP A 27 10.447 -1.525 2.050 1.00 24.32 H new ATOM 0 HB2 ASP A 27 7.674 -2.124 0.871 1.00 70.32 H new ATOM 0 HB3 ASP A 27 8.391 -0.528 0.958 1.00 70.32 H new ATOM 410 N MET A 28 8.270 -2.669 4.119 1.00 75.23 N ATOM 411 CA MET A 28 7.491 -2.445 5.368 1.00 1.10 C ATOM 412 C MET A 28 8.298 -1.651 6.429 1.00 12.14 C ATOM 413 O MET A 28 9.252 -2.172 7.020 1.00 11.24 O ATOM 414 CB MET A 28 7.005 -3.798 5.965 1.00 11.33 C ATOM 415 CG MET A 28 5.947 -4.543 5.140 1.00 15.34 C ATOM 416 SD MET A 28 5.435 -6.096 5.921 1.00 14.15 S ATOM 417 CE MET A 28 4.839 -5.538 7.526 1.00 63.21 C ATOM 0 H MET A 28 8.384 -3.653 3.877 1.00 75.23 H new ATOM 0 HA MET A 28 6.624 -1.843 5.097 1.00 1.10 H new ATOM 0 HB2 MET A 28 7.869 -4.451 6.090 1.00 11.33 H new ATOM 0 HB3 MET A 28 6.600 -3.611 6.960 1.00 11.33 H new ATOM 0 HG2 MET A 28 5.076 -3.902 5.006 1.00 15.34 H new ATOM 0 HG3 MET A 28 6.345 -4.752 4.147 1.00 15.34 H new ATOM 0 HE1 MET A 28 3.962 -6.119 7.810 1.00 63.21 H new ATOM 0 HE2 MET A 28 5.622 -5.674 8.272 1.00 63.21 H new ATOM 0 HE3 MET A 28 4.572 -4.483 7.468 1.00 63.21 H new ATOM 427 N GLY A 29 7.896 -0.389 6.656 1.00 3.13 N ATOM 428 CA GLY A 29 8.583 0.499 7.598 1.00 24.40 C ATOM 429 C GLY A 29 8.333 1.975 7.292 1.00 43.01 C ATOM 430 O GLY A 29 7.179 2.409 7.225 1.00 41.43 O ATOM 0 H GLY A 29 7.093 0.038 6.194 1.00 3.13 H new ATOM 0 HA2 GLY A 29 8.248 0.279 8.612 1.00 24.40 H new ATOM 0 HA3 GLY A 29 9.654 0.300 7.566 1.00 24.40 H new ATOM 434 N LYS A 30 9.426 2.732 7.068 1.00 35.42 N ATOM 435 CA LYS A 30 9.380 4.205 6.886 1.00 24.33 C ATOM 436 C LYS A 30 8.726 4.593 5.531 1.00 75.04 C ATOM 437 O LYS A 30 7.874 5.470 5.479 1.00 24.00 O ATOM 438 CB LYS A 30 10.810 4.841 6.978 1.00 21.54 C ATOM 439 CG LYS A 30 11.545 4.693 8.344 1.00 72.41 C ATOM 440 CD LYS A 30 12.126 3.274 8.580 1.00 24.43 C ATOM 441 CE LYS A 30 12.975 3.162 9.863 1.00 74.35 C ATOM 442 NZ LYS A 30 12.191 3.435 11.090 1.00 12.24 N ATOM 0 H LYS A 30 10.367 2.344 7.007 1.00 35.42 H new ATOM 0 HA LYS A 30 8.767 4.600 7.696 1.00 24.33 H new ATOM 0 HB2 LYS A 30 11.434 4.394 6.204 1.00 21.54 H new ATOM 0 HB3 LYS A 30 10.728 5.903 6.747 1.00 21.54 H new ATOM 0 HG2 LYS A 30 12.354 5.422 8.394 1.00 72.41 H new ATOM 0 HG3 LYS A 30 10.851 4.932 9.150 1.00 72.41 H new ATOM 0 HD2 LYS A 30 11.306 2.558 8.633 1.00 24.43 H new ATOM 0 HD3 LYS A 30 12.738 2.994 7.723 1.00 24.43 H new ATOM 0 HE2 LYS A 30 13.403 2.162 9.925 1.00 74.35 H new ATOM 0 HE3 LYS A 30 13.808 3.862 9.805 1.00 74.35 H new ATOM 0 HZ1 LYS A 30 12.808 3.347 11.923 1.00 12.24 H new ATOM 0 HZ2 LYS A 30 11.803 4.399 11.047 1.00 12.24 H new ATOM 0 HZ3 LYS A 30 11.411 2.751 11.163 1.00 12.24 H new ATOM 456 N SER A 31 9.142 3.923 4.441 1.00 35.10 N ATOM 457 CA SER A 31 8.672 4.224 3.057 1.00 55.22 C ATOM 458 C SER A 31 7.154 3.968 2.881 1.00 2.14 C ATOM 459 O SER A 31 6.470 4.709 2.161 1.00 31.21 O ATOM 460 CB SER A 31 9.480 3.403 2.022 1.00 61.21 C ATOM 461 OG SER A 31 10.868 3.708 2.095 1.00 35.44 O ATOM 0 H SER A 31 9.813 3.156 4.484 1.00 35.10 H new ATOM 0 HA SER A 31 8.841 5.287 2.885 1.00 55.22 H new ATOM 0 HB2 SER A 31 9.329 2.338 2.200 1.00 61.21 H new ATOM 0 HB3 SER A 31 9.111 3.614 1.018 1.00 61.21 H new ATOM 0 HG SER A 31 11.355 3.175 1.433 1.00 35.44 H new ATOM 467 N VAL A 32 6.643 2.904 3.530 1.00 74.01 N ATOM 468 CA VAL A 32 5.188 2.618 3.586 1.00 34.12 C ATOM 469 C VAL A 32 4.437 3.689 4.424 1.00 33.43 C ATOM 470 O VAL A 32 3.364 4.152 4.035 1.00 22.31 O ATOM 471 CB VAL A 32 4.918 1.174 4.169 1.00 70.15 C ATOM 472 CG1 VAL A 32 3.409 0.882 4.357 1.00 43.45 C ATOM 473 CG2 VAL A 32 5.557 0.099 3.263 1.00 73.12 C ATOM 0 H VAL A 32 7.216 2.222 4.027 1.00 74.01 H new ATOM 0 HA VAL A 32 4.806 2.655 2.566 1.00 34.12 H new ATOM 0 HB VAL A 32 5.379 1.140 5.156 1.00 70.15 H new ATOM 0 HG11 VAL A 32 3.280 -0.123 4.760 1.00 43.45 H new ATOM 0 HG12 VAL A 32 2.981 1.608 5.049 1.00 43.45 H new ATOM 0 HG13 VAL A 32 2.902 0.955 3.395 1.00 43.45 H new ATOM 0 HG21 VAL A 32 5.362 -0.890 3.678 1.00 73.12 H new ATOM 0 HG22 VAL A 32 5.128 0.164 2.263 1.00 73.12 H new ATOM 0 HG23 VAL A 32 6.633 0.263 3.207 1.00 73.12 H new ATOM 483 N MET A 33 5.028 4.078 5.562 1.00 22.41 N ATOM 484 CA MET A 33 4.404 5.024 6.515 1.00 15.11 C ATOM 485 C MET A 33 4.276 6.459 5.939 1.00 62.34 C ATOM 486 O MET A 33 3.215 7.087 6.017 1.00 13.15 O ATOM 487 CB MET A 33 5.212 5.026 7.839 1.00 71.42 C ATOM 488 CG MET A 33 4.547 5.809 8.973 1.00 45.14 C ATOM 489 SD MET A 33 2.829 5.301 9.264 1.00 53.12 S ATOM 490 CE MET A 33 2.978 3.543 9.587 1.00 73.24 C ATOM 0 H MET A 33 5.949 3.751 5.853 1.00 22.41 H new ATOM 0 HA MET A 33 3.386 4.684 6.706 1.00 15.11 H new ATOM 0 HB2 MET A 33 5.363 3.996 8.162 1.00 71.42 H new ATOM 0 HB3 MET A 33 6.199 5.448 7.650 1.00 71.42 H new ATOM 0 HG2 MET A 33 5.122 5.672 9.889 1.00 45.14 H new ATOM 0 HG3 MET A 33 4.572 6.873 8.737 1.00 45.14 H new ATOM 0 HE1 MET A 33 2.166 3.012 9.090 1.00 73.24 H new ATOM 0 HE2 MET A 33 3.934 3.183 9.207 1.00 73.24 H new ATOM 0 HE3 MET A 33 2.924 3.365 10.661 1.00 73.24 H new ATOM 500 N GLU A 34 5.365 6.956 5.349 1.00 10.31 N ATOM 501 CA GLU A 34 5.439 8.312 4.773 1.00 21.22 C ATOM 502 C GLU A 34 4.553 8.485 3.512 1.00 21.13 C ATOM 503 O GLU A 34 4.136 9.609 3.202 1.00 23.35 O ATOM 504 CB GLU A 34 6.923 8.697 4.488 1.00 61.13 C ATOM 505 CG GLU A 34 7.677 9.350 5.676 1.00 10.14 C ATOM 506 CD GLU A 34 7.780 8.481 6.946 1.00 12.34 C ATOM 507 OE1 GLU A 34 8.742 7.699 7.065 1.00 62.11 O ATOM 508 OE2 GLU A 34 6.928 8.607 7.854 1.00 32.41 O ATOM 0 H GLU A 34 6.232 6.428 5.254 1.00 10.31 H new ATOM 0 HA GLU A 34 5.034 9.000 5.515 1.00 21.22 H new ATOM 0 HB2 GLU A 34 7.463 7.799 4.186 1.00 61.13 H new ATOM 0 HB3 GLU A 34 6.947 9.384 3.642 1.00 61.13 H new ATOM 0 HG2 GLU A 34 8.684 9.607 5.349 1.00 10.14 H new ATOM 0 HG3 GLU A 34 7.177 10.284 5.934 1.00 10.14 H new ATOM 515 N THR A 35 4.286 7.398 2.757 1.00 43.34 N ATOM 516 CA THR A 35 3.347 7.479 1.610 1.00 5.53 C ATOM 517 C THR A 35 1.857 7.466 2.075 1.00 14.31 C ATOM 518 O THR A 35 1.003 8.066 1.419 1.00 73.03 O ATOM 519 CB THR A 35 3.621 6.402 0.510 1.00 62.04 C ATOM 520 OG1 THR A 35 2.818 6.679 -0.645 1.00 41.33 O ATOM 521 CG2 THR A 35 3.354 4.972 0.979 1.00 21.34 C ATOM 0 H THR A 35 4.693 6.476 2.912 1.00 43.34 H new ATOM 0 HA THR A 35 3.535 8.444 1.139 1.00 5.53 H new ATOM 0 HB THR A 35 4.683 6.465 0.271 1.00 62.04 H new ATOM 0 HG1 THR A 35 3.400 6.829 -1.420 1.00 41.33 H new ATOM 0 HG21 THR A 35 3.565 4.277 0.166 1.00 21.34 H new ATOM 0 HG22 THR A 35 3.997 4.742 1.829 1.00 21.34 H new ATOM 0 HG23 THR A 35 2.310 4.876 1.277 1.00 21.34 H new ATOM 529 N VAL A 36 1.561 6.809 3.231 1.00 24.21 N ATOM 530 CA VAL A 36 0.232 6.920 3.918 1.00 10.31 C ATOM 531 C VAL A 36 0.003 8.384 4.372 1.00 74.21 C ATOM 532 O VAL A 36 -1.091 8.943 4.200 1.00 35.32 O ATOM 533 CB VAL A 36 0.127 5.947 5.165 1.00 30.30 C ATOM 534 CG1 VAL A 36 -1.185 6.167 5.968 1.00 52.45 C ATOM 535 CG2 VAL A 36 0.243 4.469 4.726 1.00 33.44 C ATOM 0 H VAL A 36 2.221 6.196 3.710 1.00 24.21 H new ATOM 0 HA VAL A 36 -0.538 6.626 3.205 1.00 10.31 H new ATOM 0 HB VAL A 36 0.963 6.185 5.823 1.00 30.30 H new ATOM 0 HG11 VAL A 36 -1.214 5.479 6.813 1.00 52.45 H new ATOM 0 HG12 VAL A 36 -1.220 7.193 6.334 1.00 52.45 H new ATOM 0 HG13 VAL A 36 -2.043 5.983 5.321 1.00 52.45 H new ATOM 0 HG21 VAL A 36 0.168 3.823 5.601 1.00 33.44 H new ATOM 0 HG22 VAL A 36 -0.561 4.232 4.030 1.00 33.44 H new ATOM 0 HG23 VAL A 36 1.204 4.309 4.238 1.00 33.44 H new ATOM 545 N ILE A 37 1.071 8.986 4.933 1.00 11.11 N ATOM 546 CA ILE A 37 1.145 10.435 5.241 1.00 75.42 C ATOM 547 C ILE A 37 0.825 11.288 3.988 1.00 53.14 C ATOM 548 O ILE A 37 0.018 12.223 4.058 1.00 61.13 O ATOM 549 CB ILE A 37 2.581 10.791 5.815 1.00 33.04 C ATOM 550 CG1 ILE A 37 2.728 10.264 7.282 1.00 14.51 C ATOM 551 CG2 ILE A 37 2.939 12.302 5.707 1.00 34.23 C ATOM 552 CD1 ILE A 37 4.095 10.485 7.914 1.00 60.10 C ATOM 0 H ILE A 37 1.917 8.477 5.189 1.00 11.11 H new ATOM 0 HA ILE A 37 0.396 10.668 5.998 1.00 75.42 H new ATOM 0 HB ILE A 37 3.307 10.279 5.183 1.00 33.04 H new ATOM 0 HG12 ILE A 37 1.975 10.749 7.903 1.00 14.51 H new ATOM 0 HG13 ILE A 37 2.509 9.196 7.292 1.00 14.51 H new ATOM 0 HG21 ILE A 37 3.934 12.470 6.119 1.00 34.23 H new ATOM 0 HG22 ILE A 37 2.923 12.606 4.660 1.00 34.23 H new ATOM 0 HG23 ILE A 37 2.211 12.889 6.266 1.00 34.23 H new ATOM 0 HD11 ILE A 37 4.096 10.086 8.928 1.00 60.10 H new ATOM 0 HD12 ILE A 37 4.856 9.975 7.323 1.00 60.10 H new ATOM 0 HD13 ILE A 37 4.314 11.552 7.944 1.00 60.10 H new ATOM 564 N ALA A 38 1.418 10.913 2.833 1.00 50.30 N ATOM 565 CA ALA A 38 1.228 11.641 1.561 1.00 12.24 C ATOM 566 C ALA A 38 -0.263 11.650 1.124 1.00 23.43 C ATOM 567 O ALA A 38 -0.806 12.706 0.808 1.00 12.15 O ATOM 568 CB ALA A 38 2.128 11.044 0.466 1.00 4.10 C ATOM 0 H ALA A 38 2.036 10.105 2.757 1.00 50.30 H new ATOM 0 HA ALA A 38 1.520 12.679 1.718 1.00 12.24 H new ATOM 0 HB1 ALA A 38 1.978 11.590 -0.466 1.00 4.10 H new ATOM 0 HB2 ALA A 38 3.172 11.124 0.769 1.00 4.10 H new ATOM 0 HB3 ALA A 38 1.873 9.995 0.317 1.00 4.10 H new ATOM 574 N PHE A 39 -0.924 10.475 1.187 1.00 52.43 N ATOM 575 CA PHE A 39 -2.362 10.334 0.822 1.00 21.13 C ATOM 576 C PHE A 39 -3.284 11.111 1.804 1.00 71.25 C ATOM 577 O PHE A 39 -4.268 11.734 1.386 1.00 2.52 O ATOM 578 CB PHE A 39 -2.781 8.836 0.771 1.00 41.41 C ATOM 579 CG PHE A 39 -2.110 8.017 -0.335 1.00 62.13 C ATOM 580 CD1 PHE A 39 -2.205 8.413 -1.670 1.00 3.33 C ATOM 581 CD2 PHE A 39 -1.395 6.854 -0.048 1.00 40.54 C ATOM 582 CE1 PHE A 39 -1.604 7.677 -2.675 1.00 3.52 C ATOM 583 CE2 PHE A 39 -0.794 6.119 -1.056 1.00 35.23 C ATOM 584 CZ PHE A 39 -0.902 6.530 -2.368 1.00 51.12 C ATOM 0 H PHE A 39 -0.488 9.603 1.488 1.00 52.43 H new ATOM 0 HA PHE A 39 -2.483 10.767 -0.171 1.00 21.13 H new ATOM 0 HB2 PHE A 39 -2.552 8.377 1.733 1.00 41.41 H new ATOM 0 HB3 PHE A 39 -3.862 8.780 0.640 1.00 41.41 H new ATOM 0 HD1 PHE A 39 -2.756 9.307 -1.922 1.00 3.33 H new ATOM 0 HD2 PHE A 39 -1.309 6.522 0.976 1.00 40.54 H new ATOM 0 HE1 PHE A 39 -1.684 8.001 -3.702 1.00 3.52 H new ATOM 0 HE2 PHE A 39 -0.240 5.224 -0.815 1.00 35.23 H new ATOM 0 HZ PHE A 39 -0.437 5.954 -3.155 1.00 51.12 H new ATOM 594 N ALA A 40 -2.935 11.077 3.106 1.00 11.44 N ATOM 595 CA ALA A 40 -3.714 11.741 4.182 1.00 62.10 C ATOM 596 C ALA A 40 -3.654 13.292 4.097 1.00 14.51 C ATOM 597 O ALA A 40 -4.608 13.986 4.482 1.00 64.31 O ATOM 598 CB ALA A 40 -3.208 11.257 5.552 1.00 44.32 C ATOM 0 H ALA A 40 -2.106 10.590 3.446 1.00 11.44 H new ATOM 0 HA ALA A 40 -4.760 11.464 4.052 1.00 62.10 H new ATOM 0 HB1 ALA A 40 -3.779 11.743 6.343 1.00 44.32 H new ATOM 0 HB2 ALA A 40 -3.334 10.177 5.625 1.00 44.32 H new ATOM 0 HB3 ALA A 40 -2.153 11.508 5.659 1.00 44.32 H new ATOM 604 N ASN A 41 -2.526 13.834 3.588 1.00 44.33 N ATOM 605 CA ASN A 41 -2.309 15.300 3.476 1.00 23.22 C ATOM 606 C ASN A 41 -2.434 15.823 2.019 1.00 4.04 C ATOM 607 O ASN A 41 -1.989 16.937 1.723 1.00 54.43 O ATOM 608 CB ASN A 41 -0.931 15.692 4.072 1.00 32.51 C ATOM 609 CG ASN A 41 -0.825 15.402 5.569 1.00 2.43 C ATOM 610 OD1 ASN A 41 -1.331 16.150 6.394 1.00 10.21 O ATOM 611 ND2 ASN A 41 -0.131 14.349 5.940 1.00 25.21 N ATOM 0 H ASN A 41 -1.744 13.276 3.245 1.00 44.33 H new ATOM 0 HA ASN A 41 -3.103 15.777 4.051 1.00 23.22 H new ATOM 0 HB2 ASN A 41 -0.146 15.149 3.546 1.00 32.51 H new ATOM 0 HB3 ASN A 41 -0.755 16.754 3.900 1.00 32.51 H new ATOM 0 HD21 ASN A 41 -0.007 14.144 6.931 1.00 25.21 H new ATOM 0 HD22 ASN A 41 0.283 13.737 5.237 1.00 25.21 H new ATOM 618 N GLU A 42 -3.047 15.034 1.115 1.00 0.15 N ATOM 619 CA GLU A 42 -3.440 15.513 -0.241 1.00 11.45 C ATOM 620 C GLU A 42 -4.985 15.666 -0.339 1.00 31.31 C ATOM 621 O GLU A 42 -5.687 14.709 -0.709 1.00 44.03 O ATOM 622 CB GLU A 42 -2.895 14.566 -1.357 1.00 62.32 C ATOM 623 CG GLU A 42 -1.364 14.623 -1.572 1.00 25.42 C ATOM 624 CD GLU A 42 -0.845 16.016 -1.985 1.00 73.33 C ATOM 625 OE1 GLU A 42 -1.040 16.405 -3.156 1.00 41.11 O ATOM 626 OE2 GLU A 42 -0.238 16.729 -1.147 1.00 31.25 O ATOM 0 H GLU A 42 -3.285 14.058 1.293 1.00 0.15 H new ATOM 0 HA GLU A 42 -2.990 16.493 -0.397 1.00 11.45 H new ATOM 0 HB2 GLU A 42 -3.174 13.541 -1.112 1.00 62.32 H new ATOM 0 HB3 GLU A 42 -3.388 14.815 -2.297 1.00 62.32 H new ATOM 0 HG2 GLU A 42 -0.866 14.318 -0.652 1.00 25.42 H new ATOM 0 HG3 GLU A 42 -1.087 13.900 -2.339 1.00 25.42 H new ATOM 633 N PRO A 43 -5.548 16.875 0.016 1.00 22.33 N ATOM 634 CA PRO A 43 -7.007 17.121 -0.058 1.00 14.24 C ATOM 635 C PRO A 43 -7.523 17.150 -1.526 1.00 30.20 C ATOM 636 O PRO A 43 -7.076 17.959 -2.347 1.00 33.25 O ATOM 637 CB PRO A 43 -7.185 18.484 0.664 1.00 50.11 C ATOM 638 CG PRO A 43 -5.865 19.175 0.511 1.00 71.35 C ATOM 639 CD PRO A 43 -4.818 18.077 0.522 1.00 23.31 C ATOM 0 HA PRO A 43 -7.592 16.328 0.407 1.00 14.24 H new ATOM 0 HB2 PRO A 43 -7.990 19.066 0.216 1.00 50.11 H new ATOM 0 HB3 PRO A 43 -7.439 18.345 1.715 1.00 50.11 H new ATOM 0 HG2 PRO A 43 -5.826 19.742 -0.419 1.00 71.35 H new ATOM 0 HG3 PRO A 43 -5.698 19.882 1.323 1.00 71.35 H new ATOM 0 HD2 PRO A 43 -3.971 18.327 -0.116 1.00 23.31 H new ATOM 0 HD3 PRO A 43 -4.424 17.912 1.525 1.00 23.31 H new ATOM 647 N GLY A 44 -8.434 16.220 -1.836 1.00 42.12 N ATOM 648 CA GLY A 44 -9.033 16.091 -3.180 1.00 71.40 C ATOM 649 C GLY A 44 -8.571 14.838 -3.929 1.00 45.22 C ATOM 650 O GLY A 44 -9.146 14.489 -4.965 1.00 40.10 O ATOM 0 H GLY A 44 -8.780 15.533 -1.166 1.00 42.12 H new ATOM 0 HA2 GLY A 44 -10.119 16.071 -3.086 1.00 71.40 H new ATOM 0 HA3 GLY A 44 -8.780 16.972 -3.769 1.00 71.40 H new ATOM 654 N LEU A 45 -7.520 14.166 -3.422 1.00 75.40 N ATOM 655 CA LEU A 45 -7.072 12.840 -3.928 1.00 2.24 C ATOM 656 C LEU A 45 -7.372 11.744 -2.867 1.00 21.41 C ATOM 657 O LEU A 45 -7.225 10.546 -3.143 1.00 31.45 O ATOM 658 CB LEU A 45 -5.552 12.908 -4.292 1.00 32.11 C ATOM 659 CG LEU A 45 -4.899 11.624 -4.953 1.00 23.51 C ATOM 660 CD1 LEU A 45 -3.936 11.994 -6.101 1.00 12.32 C ATOM 661 CD2 LEU A 45 -4.162 10.738 -3.913 1.00 45.01 C ATOM 0 H LEU A 45 -6.954 14.520 -2.651 1.00 75.40 H new ATOM 0 HA LEU A 45 -7.619 12.577 -4.833 1.00 2.24 H new ATOM 0 HB2 LEU A 45 -5.406 13.747 -4.972 1.00 32.11 H new ATOM 0 HB3 LEU A 45 -4.998 13.136 -3.381 1.00 32.11 H new ATOM 0 HG LEU A 45 -5.726 11.047 -5.366 1.00 23.51 H new ATOM 0 HD11 LEU A 45 -3.510 11.085 -6.526 1.00 12.32 H new ATOM 0 HD12 LEU A 45 -4.482 12.535 -6.874 1.00 12.32 H new ATOM 0 HD13 LEU A 45 -3.134 12.624 -5.715 1.00 12.32 H new ATOM 0 HD21 LEU A 45 -3.731 9.871 -4.414 1.00 45.01 H new ATOM 0 HD22 LEU A 45 -3.368 11.316 -3.441 1.00 45.01 H new ATOM 0 HD23 LEU A 45 -4.869 10.404 -3.153 1.00 45.01 H new ATOM 673 N ASP A 46 -7.813 12.189 -1.662 1.00 53.33 N ATOM 674 CA ASP A 46 -8.178 11.321 -0.520 1.00 23.14 C ATOM 675 C ASP A 46 -9.013 10.070 -0.922 1.00 44.31 C ATOM 676 O ASP A 46 -10.004 10.168 -1.657 1.00 2.14 O ATOM 677 CB ASP A 46 -8.914 12.169 0.531 1.00 30.01 C ATOM 678 CG ASP A 46 -10.146 12.914 -0.019 1.00 43.34 C ATOM 679 OD1 ASP A 46 -9.987 14.038 -0.548 1.00 43.21 O ATOM 680 OD2 ASP A 46 -11.276 12.384 0.088 1.00 63.32 O ATOM 0 H ASP A 46 -7.926 13.182 -1.457 1.00 53.33 H new ATOM 0 HA ASP A 46 -7.254 10.919 -0.104 1.00 23.14 H new ATOM 0 HB2 ASP A 46 -9.228 11.522 1.350 1.00 30.01 H new ATOM 0 HB3 ASP A 46 -8.218 12.897 0.949 1.00 30.01 H new ATOM 685 N GLY A 47 -8.597 8.901 -0.412 1.00 41.32 N ATOM 686 CA GLY A 47 -9.111 7.608 -0.884 1.00 0.31 C ATOM 687 C GLY A 47 -8.066 6.848 -1.707 1.00 33.10 C ATOM 688 O GLY A 47 -8.404 6.184 -2.692 1.00 32.14 O ATOM 0 H GLY A 47 -7.902 8.826 0.331 1.00 41.32 H new ATOM 0 HA2 GLY A 47 -9.412 7.002 -0.029 1.00 0.31 H new ATOM 0 HA3 GLY A 47 -10.003 7.770 -1.489 1.00 0.31 H new ATOM 692 N GLY A 48 -6.788 6.947 -1.285 1.00 52.21 N ATOM 693 CA GLY A 48 -5.662 6.281 -1.968 1.00 60.45 C ATOM 694 C GLY A 48 -5.320 4.940 -1.318 1.00 14.11 C ATOM 695 O GLY A 48 -5.540 4.762 -0.121 1.00 71.12 O ATOM 0 H GLY A 48 -6.510 7.488 -0.466 1.00 52.21 H new ATOM 0 HA2 GLY A 48 -5.914 6.123 -3.017 1.00 60.45 H new ATOM 0 HA3 GLY A 48 -4.787 6.930 -1.945 1.00 60.45 H new ATOM 699 N TYR A 49 -4.759 3.997 -2.089 1.00 21.44 N ATOM 700 CA TYR A 49 -4.573 2.594 -1.634 1.00 23.44 C ATOM 701 C TYR A 49 -3.089 2.165 -1.648 1.00 35.41 C ATOM 702 O TYR A 49 -2.305 2.635 -2.463 1.00 60.30 O ATOM 703 CB TYR A 49 -5.386 1.634 -2.528 1.00 1.30 C ATOM 704 CG TYR A 49 -6.913 1.839 -2.498 1.00 72.32 C ATOM 705 CD1 TYR A 49 -7.563 2.696 -3.400 1.00 10.42 C ATOM 706 CD2 TYR A 49 -7.710 1.140 -1.593 1.00 0.13 C ATOM 707 CE1 TYR A 49 -8.940 2.837 -3.389 1.00 24.24 C ATOM 708 CE2 TYR A 49 -9.078 1.278 -1.591 1.00 70.40 C ATOM 709 CZ TYR A 49 -9.688 2.121 -2.484 1.00 30.41 C ATOM 710 OH TYR A 49 -11.058 2.245 -2.470 1.00 53.33 O ATOM 0 H TYR A 49 -4.422 4.173 -3.036 1.00 21.44 H new ATOM 0 HA TYR A 49 -4.928 2.543 -0.605 1.00 23.44 H new ATOM 0 HB2 TYR A 49 -5.042 1.743 -3.556 1.00 1.30 H new ATOM 0 HB3 TYR A 49 -5.168 0.610 -2.225 1.00 1.30 H new ATOM 0 HD1 TYR A 49 -6.978 3.255 -4.115 1.00 10.42 H new ATOM 0 HD2 TYR A 49 -7.244 0.477 -0.879 1.00 0.13 H new ATOM 0 HE1 TYR A 49 -9.424 3.505 -4.086 1.00 24.24 H new ATOM 0 HE2 TYR A 49 -9.674 0.721 -0.884 1.00 70.40 H new ATOM 0 HH TYR A 49 -11.337 2.873 -3.169 1.00 53.33 H new ATOM 720 N LEU A 50 -2.720 1.261 -0.714 1.00 2.13 N ATOM 721 CA LEU A 50 -1.404 0.576 -0.700 1.00 12.25 C ATOM 722 C LEU A 50 -1.611 -0.951 -0.805 1.00 74.33 C ATOM 723 O LEU A 50 -2.416 -1.519 -0.077 1.00 44.24 O ATOM 724 CB LEU A 50 -0.582 0.875 0.591 1.00 21.44 C ATOM 725 CG LEU A 50 -0.078 2.341 0.811 1.00 1.52 C ATOM 726 CD1 LEU A 50 -1.210 3.310 1.230 1.00 64.13 C ATOM 727 CD2 LEU A 50 1.071 2.363 1.839 1.00 75.14 C ATOM 0 H LEU A 50 -3.328 0.983 0.056 1.00 2.13 H new ATOM 0 HA LEU A 50 -0.843 0.957 -1.553 1.00 12.25 H new ATOM 0 HB2 LEU A 50 -1.194 0.599 1.450 1.00 21.44 H new ATOM 0 HB3 LEU A 50 0.287 0.218 0.595 1.00 21.44 H new ATOM 0 HG LEU A 50 0.293 2.698 -0.150 1.00 1.52 H new ATOM 0 HD11 LEU A 50 -0.800 4.311 1.368 1.00 64.13 H new ATOM 0 HD12 LEU A 50 -1.974 3.335 0.453 1.00 64.13 H new ATOM 0 HD13 LEU A 50 -1.654 2.968 2.165 1.00 64.13 H new ATOM 0 HD21 LEU A 50 1.412 3.388 1.982 1.00 75.14 H new ATOM 0 HD22 LEU A 50 0.717 1.962 2.789 1.00 75.14 H new ATOM 0 HD23 LEU A 50 1.898 1.754 1.474 1.00 75.14 H new ATOM 739 N LEU A 51 -0.881 -1.603 -1.716 1.00 41.13 N ATOM 740 CA LEU A 51 -0.915 -3.072 -1.893 1.00 64.11 C ATOM 741 C LEU A 51 0.351 -3.699 -1.282 1.00 4.41 C ATOM 742 O LEU A 51 1.437 -3.547 -1.831 1.00 32.44 O ATOM 743 CB LEU A 51 -1.004 -3.412 -3.419 1.00 70.33 C ATOM 744 CG LEU A 51 -2.426 -3.429 -4.078 1.00 62.22 C ATOM 745 CD1 LEU A 51 -3.311 -2.247 -3.631 1.00 62.02 C ATOM 746 CD2 LEU A 51 -2.306 -3.468 -5.615 1.00 55.41 C ATOM 0 H LEU A 51 -0.244 -1.131 -2.358 1.00 41.13 H new ATOM 0 HA LEU A 51 -1.789 -3.480 -1.385 1.00 64.11 H new ATOM 0 HB2 LEU A 51 -0.392 -2.690 -3.960 1.00 70.33 H new ATOM 0 HB3 LEU A 51 -0.551 -4.392 -3.572 1.00 70.33 H new ATOM 0 HG LEU A 51 -2.922 -4.336 -3.732 1.00 62.22 H new ATOM 0 HD11 LEU A 51 -4.282 -2.314 -4.121 1.00 62.02 H new ATOM 0 HD12 LEU A 51 -3.447 -2.282 -2.550 1.00 62.02 H new ATOM 0 HD13 LEU A 51 -2.830 -1.308 -3.906 1.00 62.02 H new ATOM 0 HD21 LEU A 51 -3.302 -3.479 -6.058 1.00 55.41 H new ATOM 0 HD22 LEU A 51 -1.766 -2.587 -5.960 1.00 55.41 H new ATOM 0 HD23 LEU A 51 -1.765 -4.366 -5.915 1.00 55.41 H new ATOM 758 N LEU A 52 0.201 -4.417 -0.159 1.00 12.40 N ATOM 759 CA LEU A 52 1.319 -5.157 0.465 1.00 12.34 C ATOM 760 C LEU A 52 1.353 -6.604 -0.066 1.00 62.14 C ATOM 761 O LEU A 52 0.337 -7.309 -0.035 1.00 71.35 O ATOM 762 CB LEU A 52 1.221 -5.135 2.016 1.00 43.41 C ATOM 763 CG LEU A 52 1.313 -3.723 2.693 1.00 72.42 C ATOM 764 CD1 LEU A 52 1.333 -3.847 4.232 1.00 22.40 C ATOM 765 CD2 LEU A 52 2.542 -2.922 2.197 1.00 34.32 C ATOM 0 H LEU A 52 -0.684 -4.504 0.340 1.00 12.40 H new ATOM 0 HA LEU A 52 2.251 -4.661 0.194 1.00 12.34 H new ATOM 0 HB2 LEU A 52 0.276 -5.594 2.307 1.00 43.41 H new ATOM 0 HB3 LEU A 52 2.017 -5.761 2.419 1.00 43.41 H new ATOM 0 HG LEU A 52 0.420 -3.170 2.401 1.00 72.42 H new ATOM 0 HD11 LEU A 52 1.397 -2.854 4.676 1.00 22.40 H new ATOM 0 HD12 LEU A 52 0.420 -4.337 4.569 1.00 22.40 H new ATOM 0 HD13 LEU A 52 2.196 -4.438 4.538 1.00 22.40 H new ATOM 0 HD21 LEU A 52 2.567 -1.951 2.691 1.00 34.32 H new ATOM 0 HD22 LEU A 52 3.453 -3.472 2.431 1.00 34.32 H new ATOM 0 HD23 LEU A 52 2.472 -2.779 1.119 1.00 34.32 H new ATOM 777 N GLY A 53 2.531 -7.021 -0.557 1.00 31.32 N ATOM 778 CA GLY A 53 2.735 -8.361 -1.134 1.00 63.04 C ATOM 779 C GLY A 53 2.869 -8.331 -2.651 1.00 51.14 C ATOM 780 O GLY A 53 2.473 -9.271 -3.346 1.00 53.40 O ATOM 0 H GLY A 53 3.369 -6.440 -0.566 1.00 31.32 H new ATOM 0 HA2 GLY A 53 3.632 -8.806 -0.702 1.00 63.04 H new ATOM 0 HA3 GLY A 53 1.897 -9.002 -0.859 1.00 63.04 H new ATOM 784 N VAL A 54 3.414 -7.225 -3.170 1.00 14.10 N ATOM 785 CA VAL A 54 3.680 -7.054 -4.610 1.00 23.21 C ATOM 786 C VAL A 54 5.196 -7.017 -4.874 1.00 23.25 C ATOM 787 O VAL A 54 5.938 -6.316 -4.193 1.00 73.21 O ATOM 788 CB VAL A 54 3.018 -5.722 -5.142 1.00 74.31 C ATOM 789 CG1 VAL A 54 3.251 -5.515 -6.658 1.00 53.02 C ATOM 790 CG2 VAL A 54 1.512 -5.699 -4.830 1.00 74.23 C ATOM 0 H VAL A 54 3.685 -6.420 -2.606 1.00 14.10 H new ATOM 0 HA VAL A 54 3.245 -7.902 -5.139 1.00 23.21 H new ATOM 0 HB VAL A 54 3.504 -4.898 -4.620 1.00 74.31 H new ATOM 0 HG11 VAL A 54 2.777 -4.586 -6.976 1.00 53.02 H new ATOM 0 HG12 VAL A 54 4.321 -5.463 -6.858 1.00 53.02 H new ATOM 0 HG13 VAL A 54 2.819 -6.350 -7.210 1.00 53.02 H new ATOM 0 HG21 VAL A 54 1.077 -4.773 -5.205 1.00 74.23 H new ATOM 0 HG22 VAL A 54 1.028 -6.549 -5.311 1.00 74.23 H new ATOM 0 HG23 VAL A 54 1.363 -5.759 -3.752 1.00 74.23 H new ATOM 800 N ASP A 55 5.631 -7.775 -5.882 1.00 73.24 N ATOM 801 CA ASP A 55 6.998 -7.727 -6.427 1.00 23.55 C ATOM 802 C ASP A 55 6.931 -7.021 -7.805 1.00 63.24 C ATOM 803 O ASP A 55 5.843 -6.667 -8.271 1.00 21.11 O ATOM 804 CB ASP A 55 7.578 -9.159 -6.555 1.00 61.45 C ATOM 805 CG ASP A 55 6.806 -10.037 -7.562 1.00 61.14 C ATOM 806 OD1 ASP A 55 5.648 -10.403 -7.272 1.00 74.43 O ATOM 807 OD2 ASP A 55 7.347 -10.351 -8.648 1.00 63.31 O ATOM 0 H ASP A 55 5.035 -8.454 -6.355 1.00 73.24 H new ATOM 0 HA ASP A 55 7.659 -7.173 -5.761 1.00 23.55 H new ATOM 0 HB2 ASP A 55 8.622 -9.096 -6.863 1.00 61.45 H new ATOM 0 HB3 ASP A 55 7.563 -9.640 -5.577 1.00 61.45 H new ATOM 812 N TRP A 56 8.075 -6.807 -8.460 1.00 13.14 N ATOM 813 CA TRP A 56 8.102 -6.103 -9.767 1.00 12.54 C ATOM 814 C TRP A 56 9.354 -6.444 -10.592 1.00 15.23 C ATOM 815 O TRP A 56 10.444 -6.645 -10.050 1.00 54.01 O ATOM 816 CB TRP A 56 7.930 -4.553 -9.593 1.00 2.02 C ATOM 817 CG TRP A 56 8.704 -3.946 -8.444 1.00 35.43 C ATOM 818 CD1 TRP A 56 10.020 -3.571 -8.424 1.00 5.24 C ATOM 819 CD2 TRP A 56 8.185 -3.647 -7.136 1.00 33.11 C ATOM 820 NE1 TRP A 56 10.347 -3.079 -7.187 1.00 60.42 N ATOM 821 CE2 TRP A 56 9.240 -3.106 -6.385 1.00 64.41 C ATOM 822 CE3 TRP A 56 6.926 -3.782 -6.532 1.00 63.01 C ATOM 823 CZ2 TRP A 56 9.081 -2.712 -5.060 1.00 61.31 C ATOM 824 CZ3 TRP A 56 6.772 -3.386 -5.225 1.00 21.24 C ATOM 825 CH2 TRP A 56 7.843 -2.859 -4.501 1.00 5.23 C ATOM 0 H TRP A 56 8.990 -7.103 -8.121 1.00 13.14 H new ATOM 0 HA TRP A 56 7.245 -6.467 -10.334 1.00 12.54 H new ATOM 0 HB2 TRP A 56 8.238 -4.063 -10.517 1.00 2.02 H new ATOM 0 HB3 TRP A 56 6.871 -4.334 -9.453 1.00 2.02 H new ATOM 0 HD1 TRP A 56 10.700 -3.651 -9.259 1.00 5.24 H new ATOM 0 HE1 TRP A 56 11.270 -2.746 -6.909 1.00 60.42 H new ATOM 0 HE3 TRP A 56 6.092 -4.190 -7.084 1.00 63.01 H new ATOM 0 HZ2 TRP A 56 9.906 -2.305 -4.494 1.00 61.31 H new ATOM 0 HZ3 TRP A 56 5.807 -3.484 -4.750 1.00 21.24 H new ATOM 0 HH2 TRP A 56 7.689 -2.560 -3.475 1.00 5.23 H new ATOM 836 N ALA A 57 9.160 -6.508 -11.918 1.00 72.03 N ATOM 837 CA ALA A 57 10.214 -6.825 -12.896 1.00 1.13 C ATOM 838 C ALA A 57 10.397 -5.655 -13.883 1.00 62.34 C ATOM 839 O ALA A 57 9.422 -5.178 -14.477 1.00 44.15 O ATOM 840 CB ALA A 57 9.847 -8.112 -13.654 1.00 51.51 C ATOM 0 H ALA A 57 8.251 -6.338 -12.349 1.00 72.03 H new ATOM 0 HA ALA A 57 11.155 -6.980 -12.368 1.00 1.13 H new ATOM 0 HB1 ALA A 57 10.629 -8.344 -14.377 1.00 51.51 H new ATOM 0 HB2 ALA A 57 9.751 -8.936 -12.947 1.00 51.51 H new ATOM 0 HB3 ALA A 57 8.901 -7.970 -14.176 1.00 51.51 H new ATOM 846 N ILE A 58 11.647 -5.194 -14.050 1.00 40.15 N ATOM 847 CA ILE A 58 11.984 -4.118 -15.002 1.00 51.24 C ATOM 848 C ILE A 58 12.156 -4.678 -16.437 1.00 34.21 C ATOM 849 O ILE A 58 12.963 -5.583 -16.674 1.00 64.22 O ATOM 850 CB ILE A 58 13.291 -3.349 -14.555 1.00 0.34 C ATOM 851 CG1 ILE A 58 13.085 -2.650 -13.171 1.00 32.21 C ATOM 852 CG2 ILE A 58 13.761 -2.317 -15.618 1.00 41.04 C ATOM 853 CD1 ILE A 58 12.031 -1.543 -13.164 1.00 23.04 C ATOM 0 H ILE A 58 12.450 -5.553 -13.533 1.00 40.15 H new ATOM 0 HA ILE A 58 11.154 -3.411 -15.004 1.00 51.24 H new ATOM 0 HB ILE A 58 14.077 -4.097 -14.457 1.00 0.34 H new ATOM 0 HG12 ILE A 58 12.804 -3.405 -12.437 1.00 32.21 H new ATOM 0 HG13 ILE A 58 14.037 -2.229 -12.847 1.00 32.21 H new ATOM 0 HG21 ILE A 58 14.662 -1.815 -15.265 1.00 41.04 H new ATOM 0 HG22 ILE A 58 13.976 -2.832 -16.554 1.00 41.04 H new ATOM 0 HG23 ILE A 58 12.975 -1.580 -15.782 1.00 41.04 H new ATOM 0 HD11 ILE A 58 11.958 -1.117 -12.163 1.00 23.04 H new ATOM 0 HD12 ILE A 58 12.317 -0.764 -13.870 1.00 23.04 H new ATOM 0 HD13 ILE A 58 11.066 -1.958 -13.453 1.00 23.04 H new ATOM 865 N ASN A 59 11.369 -4.128 -17.373 1.00 64.01 N ATOM 866 CA ASN A 59 11.532 -4.355 -18.824 1.00 24.24 C ATOM 867 C ASN A 59 12.877 -3.761 -19.310 1.00 33.32 C ATOM 868 O ASN A 59 13.395 -2.813 -18.720 1.00 3.11 O ATOM 869 CB ASN A 59 10.359 -3.689 -19.597 1.00 72.25 C ATOM 870 CG ASN A 59 8.982 -4.252 -19.247 1.00 43.22 C ATOM 871 OD1 ASN A 59 7.958 -3.416 -19.304 1.00 20.41 O flip ATOM 872 ND2 ASN A 59 8.834 -5.426 -18.941 1.00 33.33 N flip ATOM 0 H ASN A 59 10.593 -3.506 -17.146 1.00 64.01 H new ATOM 0 HA ASN A 59 11.528 -5.428 -19.014 1.00 24.24 H new ATOM 0 HB2 ASN A 59 10.365 -2.618 -19.392 1.00 72.25 H new ATOM 0 HB3 ASN A 59 10.528 -3.810 -20.667 1.00 72.25 H new ATOM 0 HD21 ASN A 59 9.641 -6.049 -18.905 1.00 33.33 H new ATOM 0 HD22 ASN A 59 7.904 -5.783 -18.722 1.00 33.33 H new ATOM 879 N ASP A 60 13.424 -4.298 -20.405 1.00 2.34 N ATOM 880 CA ASP A 60 14.686 -3.788 -20.993 1.00 63.43 C ATOM 881 C ASP A 60 14.463 -2.462 -21.781 1.00 60.44 C ATOM 882 O ASP A 60 15.402 -1.896 -22.346 1.00 65.14 O ATOM 883 CB ASP A 60 15.322 -4.897 -21.860 1.00 34.11 C ATOM 884 CG ASP A 60 15.668 -6.139 -21.021 1.00 65.25 C ATOM 885 OD1 ASP A 60 16.795 -6.209 -20.482 1.00 70.51 O ATOM 886 OD2 ASP A 60 14.796 -7.028 -20.861 1.00 33.33 O ATOM 0 H ASP A 60 13.019 -5.087 -20.909 1.00 2.34 H new ATOM 0 HA ASP A 60 15.382 -3.536 -20.193 1.00 63.43 H new ATOM 0 HB2 ASP A 60 14.634 -5.176 -22.658 1.00 34.11 H new ATOM 0 HB3 ASP A 60 16.225 -4.515 -22.336 1.00 34.11 H new ATOM 891 N LYS A 61 13.197 -1.982 -21.809 1.00 53.20 N ATOM 892 CA LYS A 61 12.842 -0.612 -22.253 1.00 11.33 C ATOM 893 C LYS A 61 12.692 0.364 -21.038 1.00 51.10 C ATOM 894 O LYS A 61 12.334 1.532 -21.214 1.00 3.15 O ATOM 895 CB LYS A 61 11.553 -0.654 -23.115 1.00 14.14 C ATOM 896 CG LYS A 61 10.306 -1.230 -22.412 1.00 14.23 C ATOM 897 CD LYS A 61 9.144 -1.505 -23.400 1.00 53.45 C ATOM 898 CE LYS A 61 8.572 -0.227 -24.048 1.00 20.01 C ATOM 899 NZ LYS A 61 7.960 0.689 -23.050 1.00 2.32 N ATOM 0 H LYS A 61 12.390 -2.536 -21.523 1.00 53.20 H new ATOM 0 HA LYS A 61 13.655 -0.225 -22.867 1.00 11.33 H new ATOM 0 HB2 LYS A 61 11.326 0.359 -23.449 1.00 14.14 H new ATOM 0 HB3 LYS A 61 11.752 -1.247 -24.008 1.00 14.14 H new ATOM 0 HG2 LYS A 61 10.574 -2.156 -21.904 1.00 14.23 H new ATOM 0 HG3 LYS A 61 9.970 -0.532 -21.645 1.00 14.23 H new ATOM 0 HD2 LYS A 61 9.496 -2.175 -24.185 1.00 53.45 H new ATOM 0 HD3 LYS A 61 8.344 -2.025 -22.872 1.00 53.45 H new ATOM 0 HE2 LYS A 61 9.368 0.296 -24.577 1.00 20.01 H new ATOM 0 HE3 LYS A 61 7.824 -0.503 -24.791 1.00 20.01 H new ATOM 0 HZ1 LYS A 61 7.682 1.576 -23.517 1.00 2.32 H new ATOM 0 HZ2 LYS A 61 7.120 0.238 -22.634 1.00 2.32 H new ATOM 0 HZ3 LYS A 61 8.649 0.895 -22.299 1.00 2.32 H new ATOM 913 N GLY A 62 12.970 -0.139 -19.811 1.00 71.24 N ATOM 914 CA GLY A 62 13.041 0.692 -18.585 1.00 2.43 C ATOM 915 C GLY A 62 11.784 0.678 -17.700 1.00 53.44 C ATOM 916 O GLY A 62 11.847 1.079 -16.533 1.00 53.32 O ATOM 0 H GLY A 62 13.151 -1.129 -19.644 1.00 71.24 H new ATOM 0 HA2 GLY A 62 13.888 0.355 -17.988 1.00 2.43 H new ATOM 0 HA3 GLY A 62 13.247 1.722 -18.877 1.00 2.43 H new ATOM 920 N ASP A 63 10.642 0.243 -18.252 1.00 20.33 N ATOM 921 CA ASP A 63 9.327 0.297 -17.551 1.00 71.23 C ATOM 922 C ASP A 63 9.165 -0.804 -16.482 1.00 71.32 C ATOM 923 O ASP A 63 9.687 -1.905 -16.627 1.00 73.12 O ATOM 924 CB ASP A 63 8.193 0.213 -18.586 1.00 44.20 C ATOM 925 CG ASP A 63 8.242 1.390 -19.569 1.00 62.21 C ATOM 926 OD1 ASP A 63 9.065 1.356 -20.508 1.00 31.03 O ATOM 927 OD2 ASP A 63 7.484 2.363 -19.392 1.00 44.42 O ATOM 0 H ASP A 63 10.591 -0.155 -19.190 1.00 20.33 H new ATOM 0 HA ASP A 63 9.280 1.247 -17.019 1.00 71.23 H new ATOM 0 HB2 ASP A 63 8.269 -0.725 -19.136 1.00 44.20 H new ATOM 0 HB3 ASP A 63 7.231 0.205 -18.074 1.00 44.20 H new ATOM 932 N THR A 64 8.412 -0.485 -15.417 1.00 34.12 N ATOM 933 CA THR A 64 8.198 -1.395 -14.270 1.00 22.11 C ATOM 934 C THR A 64 6.869 -2.169 -14.415 1.00 60.12 C ATOM 935 O THR A 64 5.809 -1.565 -14.610 1.00 31.02 O ATOM 936 CB THR A 64 8.175 -0.604 -12.915 1.00 13.12 C ATOM 937 OG1 THR A 64 9.286 0.304 -12.856 1.00 5.33 O ATOM 938 CG2 THR A 64 8.227 -1.543 -11.690 1.00 5.22 C ATOM 0 H THR A 64 7.932 0.410 -15.323 1.00 34.12 H new ATOM 0 HA THR A 64 9.030 -2.099 -14.264 1.00 22.11 H new ATOM 0 HB THR A 64 7.234 -0.055 -12.882 1.00 13.12 H new ATOM 0 HG1 THR A 64 9.108 1.077 -13.432 1.00 5.33 H new ATOM 0 HG21 THR A 64 8.209 -0.950 -10.776 1.00 5.22 H new ATOM 0 HG22 THR A 64 7.366 -2.211 -11.706 1.00 5.22 H new ATOM 0 HG23 THR A 64 9.143 -2.132 -11.722 1.00 5.22 H new ATOM 946 N VAL A 65 6.931 -3.505 -14.288 1.00 33.23 N ATOM 947 CA VAL A 65 5.738 -4.383 -14.336 1.00 32.33 C ATOM 948 C VAL A 65 5.457 -4.916 -12.918 1.00 3.44 C ATOM 949 O VAL A 65 6.288 -5.631 -12.353 1.00 32.35 O ATOM 950 CB VAL A 65 5.928 -5.596 -15.326 1.00 21.40 C ATOM 951 CG1 VAL A 65 4.635 -6.451 -15.425 1.00 75.32 C ATOM 952 CG2 VAL A 65 6.371 -5.106 -16.721 1.00 32.43 C ATOM 0 H VAL A 65 7.806 -4.011 -14.149 1.00 33.23 H new ATOM 0 HA VAL A 65 4.899 -3.793 -14.703 1.00 32.33 H new ATOM 0 HB VAL A 65 6.717 -6.231 -14.923 1.00 21.40 H new ATOM 0 HG11 VAL A 65 4.798 -7.279 -16.115 1.00 75.32 H new ATOM 0 HG12 VAL A 65 4.382 -6.844 -14.440 1.00 75.32 H new ATOM 0 HG13 VAL A 65 3.816 -5.831 -15.790 1.00 75.32 H new ATOM 0 HG21 VAL A 65 6.495 -5.962 -17.385 1.00 32.43 H new ATOM 0 HG22 VAL A 65 5.613 -4.437 -17.129 1.00 32.43 H new ATOM 0 HG23 VAL A 65 7.318 -4.573 -16.636 1.00 32.43 H new ATOM 962 N TYR A 66 4.279 -4.603 -12.369 1.00 1.22 N ATOM 963 CA TYR A 66 3.932 -4.930 -10.971 1.00 54.13 C ATOM 964 C TYR A 66 3.181 -6.282 -10.904 1.00 41.13 C ATOM 965 O TYR A 66 2.059 -6.427 -11.403 1.00 72.25 O ATOM 966 CB TYR A 66 3.088 -3.784 -10.357 1.00 44.10 C ATOM 967 CG TYR A 66 3.871 -2.471 -10.190 1.00 41.11 C ATOM 968 CD1 TYR A 66 3.956 -1.538 -11.228 1.00 64.30 C ATOM 969 CD2 TYR A 66 4.544 -2.179 -8.999 1.00 1.31 C ATOM 970 CE1 TYR A 66 4.673 -0.364 -11.079 1.00 63.00 C ATOM 971 CE2 TYR A 66 5.263 -1.011 -8.850 1.00 64.13 C ATOM 972 CZ TYR A 66 5.325 -0.106 -9.889 1.00 33.23 C ATOM 973 OH TYR A 66 6.055 1.053 -9.741 1.00 1.42 O ATOM 0 H TYR A 66 3.538 -4.118 -12.874 1.00 1.22 H new ATOM 0 HA TYR A 66 4.847 -5.031 -10.387 1.00 54.13 H new ATOM 0 HB2 TYR A 66 2.220 -3.603 -10.990 1.00 44.10 H new ATOM 0 HB3 TYR A 66 2.712 -4.101 -9.384 1.00 44.10 H new ATOM 0 HD1 TYR A 66 3.453 -1.737 -12.163 1.00 64.30 H new ATOM 0 HD2 TYR A 66 4.500 -2.882 -8.180 1.00 1.31 H new ATOM 0 HE1 TYR A 66 4.723 0.348 -11.890 1.00 63.00 H new ATOM 0 HE2 TYR A 66 5.776 -0.806 -7.922 1.00 64.13 H new ATOM 0 HH TYR A 66 6.448 1.079 -8.844 1.00 1.42 H new ATOM 983 N ARG A 67 3.840 -7.268 -10.285 1.00 21.15 N ATOM 984 CA ARG A 67 3.346 -8.654 -10.157 1.00 40.20 C ATOM 985 C ARG A 67 2.993 -8.960 -8.681 1.00 22.11 C ATOM 986 O ARG A 67 3.637 -8.437 -7.791 1.00 35.30 O ATOM 987 CB ARG A 67 4.449 -9.627 -10.656 1.00 71.24 C ATOM 988 CG ARG A 67 4.976 -9.338 -12.085 1.00 3.11 C ATOM 989 CD ARG A 67 3.881 -9.439 -13.171 1.00 70.21 C ATOM 990 NE ARG A 67 3.283 -10.789 -13.242 1.00 72.31 N ATOM 991 CZ ARG A 67 2.000 -11.073 -13.106 1.00 42.11 C ATOM 992 NH1 ARG A 67 1.126 -10.151 -12.844 1.00 3.40 N ATOM 993 NH2 ARG A 67 1.606 -12.294 -13.219 1.00 43.21 N ATOM 0 H ARG A 67 4.751 -7.127 -9.848 1.00 21.15 H new ATOM 0 HA ARG A 67 2.446 -8.780 -10.758 1.00 40.20 H new ATOM 0 HB2 ARG A 67 5.288 -9.590 -9.961 1.00 71.24 H new ATOM 0 HB3 ARG A 67 4.056 -10.643 -10.628 1.00 71.24 H new ATOM 0 HG2 ARG A 67 5.411 -8.339 -12.109 1.00 3.11 H new ATOM 0 HG3 ARG A 67 5.776 -10.040 -12.319 1.00 3.11 H new ATOM 0 HD2 ARG A 67 3.099 -8.708 -12.964 1.00 70.21 H new ATOM 0 HD3 ARG A 67 4.309 -9.182 -14.140 1.00 70.21 H new ATOM 0 HE ARG A 67 3.917 -11.570 -13.411 1.00 72.31 H new ATOM 0 HH11 ARG A 67 1.424 -9.181 -12.738 1.00 3.40 H new ATOM 0 HH12 ARG A 67 0.141 -10.396 -12.744 1.00 3.40 H new ATOM 0 HH21 ARG A 67 2.283 -13.032 -13.412 1.00 43.21 H new ATOM 0 HH22 ARG A 67 0.617 -12.523 -13.115 1.00 43.21 H new ATOM 1007 N PRO A 68 1.944 -9.776 -8.382 1.00 44.52 N ATOM 1008 CA PRO A 68 1.658 -10.222 -7.006 1.00 54.31 C ATOM 1009 C PRO A 68 2.243 -11.632 -6.663 1.00 63.44 C ATOM 1010 O PRO A 68 1.792 -12.648 -7.199 1.00 33.13 O ATOM 1011 CB PRO A 68 0.113 -10.213 -7.002 1.00 5.54 C ATOM 1012 CG PRO A 68 -0.294 -10.560 -8.420 1.00 42.11 C ATOM 1013 CD PRO A 68 0.911 -10.270 -9.321 1.00 33.01 C ATOM 0 HA PRO A 68 2.119 -9.590 -6.247 1.00 54.31 H new ATOM 0 HB2 PRO A 68 -0.282 -10.938 -6.291 1.00 5.54 H new ATOM 0 HB3 PRO A 68 -0.274 -9.237 -6.710 1.00 5.54 H new ATOM 0 HG2 PRO A 68 -0.584 -11.608 -8.491 1.00 42.11 H new ATOM 0 HG3 PRO A 68 -1.156 -9.969 -8.728 1.00 42.11 H new ATOM 0 HD2 PRO A 68 1.243 -11.166 -9.846 1.00 33.01 H new ATOM 0 HD3 PRO A 68 0.672 -9.526 -10.081 1.00 33.01 H new ATOM 1021 N VAL A 69 3.284 -11.686 -5.805 1.00 1.25 N ATOM 1022 CA VAL A 69 3.672 -12.943 -5.091 1.00 10.33 C ATOM 1023 C VAL A 69 2.844 -13.129 -3.801 1.00 1.31 C ATOM 1024 O VAL A 69 2.860 -14.204 -3.199 1.00 71.25 O ATOM 1025 CB VAL A 69 5.212 -13.002 -4.716 1.00 70.00 C ATOM 1026 CG1 VAL A 69 6.080 -13.371 -5.940 1.00 60.22 C ATOM 1027 CG2 VAL A 69 5.694 -11.671 -4.064 1.00 53.44 C ATOM 0 H VAL A 69 3.874 -10.884 -5.584 1.00 1.25 H new ATOM 0 HA VAL A 69 3.465 -13.749 -5.794 1.00 10.33 H new ATOM 0 HB VAL A 69 5.333 -13.793 -3.976 1.00 70.00 H new ATOM 0 HG11 VAL A 69 7.129 -13.402 -5.646 1.00 60.22 H new ATOM 0 HG12 VAL A 69 5.780 -14.348 -6.318 1.00 60.22 H new ATOM 0 HG13 VAL A 69 5.944 -12.623 -6.721 1.00 60.22 H new ATOM 0 HG21 VAL A 69 6.754 -11.748 -3.820 1.00 53.44 H new ATOM 0 HG22 VAL A 69 5.541 -10.848 -4.762 1.00 53.44 H new ATOM 0 HG23 VAL A 69 5.125 -11.485 -3.153 1.00 53.44 H new ATOM 1037 N GLY A 70 2.120 -12.077 -3.396 1.00 52.22 N ATOM 1038 CA GLY A 70 1.346 -12.097 -2.156 1.00 34.31 C ATOM 1039 C GLY A 70 2.208 -12.002 -0.893 1.00 24.31 C ATOM 1040 O GLY A 70 3.404 -11.675 -0.948 1.00 64.12 O ATOM 0 H GLY A 70 2.057 -11.200 -3.914 1.00 52.22 H new ATOM 0 HA2 GLY A 70 0.638 -11.268 -2.166 1.00 34.31 H new ATOM 0 HA3 GLY A 70 0.760 -13.016 -2.118 1.00 34.31 H new ATOM 1044 N LEU A 71 1.581 -12.275 0.254 1.00 32.41 N ATOM 1045 CA LEU A 71 2.223 -12.224 1.579 1.00 32.35 C ATOM 1046 C LEU A 71 2.620 -13.644 2.054 1.00 44.23 C ATOM 1047 O LEU A 71 1.793 -14.566 1.979 1.00 72.24 O ATOM 1048 CB LEU A 71 1.246 -11.558 2.584 1.00 65.31 C ATOM 1049 CG LEU A 71 0.892 -10.070 2.268 1.00 72.02 C ATOM 1050 CD1 LEU A 71 -0.206 -9.532 3.211 1.00 30.15 C ATOM 1051 CD2 LEU A 71 2.160 -9.186 2.319 1.00 14.13 C ATOM 0 H LEU A 71 0.597 -12.542 0.294 1.00 32.41 H new ATOM 0 HA LEU A 71 3.137 -11.634 1.517 1.00 32.35 H new ATOM 0 HB2 LEU A 71 0.324 -12.138 2.610 1.00 65.31 H new ATOM 0 HB3 LEU A 71 1.683 -11.609 3.581 1.00 65.31 H new ATOM 0 HG LEU A 71 0.490 -10.031 1.255 1.00 72.02 H new ATOM 0 HD11 LEU A 71 -0.425 -8.494 2.960 1.00 30.15 H new ATOM 0 HD12 LEU A 71 -1.109 -10.131 3.097 1.00 30.15 H new ATOM 0 HD13 LEU A 71 0.140 -9.590 4.243 1.00 30.15 H new ATOM 0 HD21 LEU A 71 1.893 -8.153 2.096 1.00 14.13 H new ATOM 0 HD22 LEU A 71 2.601 -9.240 3.314 1.00 14.13 H new ATOM 0 HD23 LEU A 71 2.881 -9.541 1.583 1.00 14.13 H new ATOM 1063 N PRO A 72 3.895 -13.854 2.539 1.00 12.11 N ATOM 1064 CA PRO A 72 4.311 -15.145 3.151 1.00 2.33 C ATOM 1065 C PRO A 72 3.484 -15.454 4.426 1.00 23.14 C ATOM 1066 O PRO A 72 3.107 -16.604 4.682 1.00 74.21 O ATOM 1067 CB PRO A 72 5.825 -14.938 3.456 1.00 61.35 C ATOM 1068 CG PRO A 72 6.006 -13.446 3.509 1.00 14.12 C ATOM 1069 CD PRO A 72 5.023 -12.880 2.506 1.00 63.02 C ATOM 0 HA PRO A 72 4.141 -16.003 2.501 1.00 2.33 H new ATOM 0 HB2 PRO A 72 6.106 -15.404 4.400 1.00 61.35 H new ATOM 0 HB3 PRO A 72 6.449 -15.385 2.682 1.00 61.35 H new ATOM 0 HG2 PRO A 72 5.809 -13.063 4.510 1.00 14.12 H new ATOM 0 HG3 PRO A 72 7.029 -13.166 3.256 1.00 14.12 H new ATOM 0 HD2 PRO A 72 4.697 -11.878 2.785 1.00 63.02 H new ATOM 0 HD3 PRO A 72 5.462 -12.807 1.511 1.00 63.02 H new ATOM 1077 N ASP A 73 3.184 -14.390 5.202 1.00 63.02 N ATOM 1078 CA ASP A 73 2.325 -14.458 6.398 1.00 60.30 C ATOM 1079 C ASP A 73 1.246 -13.336 6.324 1.00 41.22 C ATOM 1080 O ASP A 73 1.463 -12.230 6.838 1.00 3.01 O ATOM 1081 CB ASP A 73 3.173 -14.318 7.683 1.00 14.21 C ATOM 1082 CG ASP A 73 4.281 -15.368 7.807 1.00 53.43 C ATOM 1083 OD1 ASP A 73 4.026 -16.464 8.350 1.00 21.33 O ATOM 1084 OD2 ASP A 73 5.416 -15.108 7.351 1.00 74.42 O ATOM 0 H ASP A 73 3.536 -13.452 5.011 1.00 63.02 H new ATOM 0 HA ASP A 73 1.828 -15.428 6.429 1.00 60.30 H new ATOM 0 HB2 ASP A 73 3.622 -13.325 7.705 1.00 14.21 H new ATOM 0 HB3 ASP A 73 2.517 -14.391 8.550 1.00 14.21 H new ATOM 1089 N PRO A 74 0.075 -13.601 5.637 1.00 32.11 N ATOM 1090 CA PRO A 74 -1.019 -12.596 5.447 1.00 31.41 C ATOM 1091 C PRO A 74 -1.542 -11.967 6.761 1.00 30.12 C ATOM 1092 O PRO A 74 -1.864 -10.769 6.818 1.00 65.53 O ATOM 1093 CB PRO A 74 -2.141 -13.412 4.755 1.00 74.04 C ATOM 1094 CG PRO A 74 -1.438 -14.557 4.092 1.00 54.14 C ATOM 1095 CD PRO A 74 -0.252 -14.893 4.968 1.00 1.10 C ATOM 0 HA PRO A 74 -0.661 -11.740 4.874 1.00 31.41 H new ATOM 0 HB2 PRO A 74 -2.875 -13.766 5.479 1.00 74.04 H new ATOM 0 HB3 PRO A 74 -2.679 -12.805 4.027 1.00 74.04 H new ATOM 0 HG2 PRO A 74 -2.102 -15.415 3.992 1.00 54.14 H new ATOM 0 HG3 PRO A 74 -1.114 -14.285 3.087 1.00 54.14 H new ATOM 0 HD2 PRO A 74 -0.498 -15.668 5.694 1.00 1.10 H new ATOM 0 HD3 PRO A 74 0.588 -15.262 4.380 1.00 1.10 H new ATOM 1103 N ASP A 75 -1.609 -12.806 7.803 1.00 60.31 N ATOM 1104 CA ASP A 75 -2.072 -12.414 9.142 1.00 44.51 C ATOM 1105 C ASP A 75 -1.112 -11.382 9.778 1.00 1.44 C ATOM 1106 O ASP A 75 -1.531 -10.291 10.168 1.00 65.02 O ATOM 1107 CB ASP A 75 -2.185 -13.688 10.023 1.00 34.11 C ATOM 1108 CG ASP A 75 -2.574 -13.414 11.488 1.00 14.52 C ATOM 1109 OD1 ASP A 75 -3.717 -12.972 11.733 1.00 34.01 O ATOM 1110 OD2 ASP A 75 -1.736 -13.628 12.400 1.00 41.43 O ATOM 0 H ASP A 75 -1.340 -13.788 7.740 1.00 60.31 H new ATOM 0 HA ASP A 75 -3.050 -11.939 9.065 1.00 44.51 H new ATOM 0 HB2 ASP A 75 -2.925 -14.356 9.582 1.00 34.11 H new ATOM 0 HB3 ASP A 75 -1.230 -14.214 10.005 1.00 34.11 H new ATOM 1115 N LYS A 76 0.185 -11.734 9.821 1.00 33.13 N ATOM 1116 CA LYS A 76 1.218 -10.948 10.539 1.00 44.34 C ATOM 1117 C LYS A 76 1.414 -9.546 9.921 1.00 35.05 C ATOM 1118 O LYS A 76 1.380 -8.550 10.630 1.00 45.52 O ATOM 1119 CB LYS A 76 2.576 -11.703 10.559 1.00 54.55 C ATOM 1120 CG LYS A 76 2.494 -13.187 10.985 1.00 40.21 C ATOM 1121 CD LYS A 76 1.732 -13.419 12.304 1.00 14.20 C ATOM 1122 CE LYS A 76 1.644 -14.908 12.665 1.00 13.53 C ATOM 1123 NZ LYS A 76 0.762 -15.129 13.832 1.00 0.44 N ATOM 0 H LYS A 76 0.551 -12.568 9.362 1.00 33.13 H new ATOM 0 HA LYS A 76 0.861 -10.821 11.561 1.00 44.34 H new ATOM 0 HB2 LYS A 76 3.018 -11.650 9.564 1.00 54.55 H new ATOM 0 HB3 LYS A 76 3.253 -11.183 11.237 1.00 54.55 H new ATOM 0 HG2 LYS A 76 2.008 -13.756 10.192 1.00 40.21 H new ATOM 0 HG3 LYS A 76 3.505 -13.581 11.087 1.00 40.21 H new ATOM 0 HD2 LYS A 76 2.230 -12.880 13.110 1.00 14.20 H new ATOM 0 HD3 LYS A 76 0.726 -13.007 12.219 1.00 14.20 H new ATOM 0 HE2 LYS A 76 1.267 -15.470 11.810 1.00 13.53 H new ATOM 0 HE3 LYS A 76 2.641 -15.291 12.883 1.00 13.53 H new ATOM 0 HZ1 LYS A 76 0.642 -16.150 13.988 1.00 0.44 H new ATOM 0 HZ2 LYS A 76 1.189 -14.697 14.676 1.00 0.44 H new ATOM 0 HZ3 LYS A 76 -0.166 -14.695 13.653 1.00 0.44 H new ATOM 1137 N VAL A 77 1.577 -9.500 8.588 1.00 21.34 N ATOM 1138 CA VAL A 77 1.851 -8.249 7.833 1.00 61.33 C ATOM 1139 C VAL A 77 0.761 -7.162 8.073 1.00 32.24 C ATOM 1140 O VAL A 77 1.075 -5.974 8.235 1.00 30.43 O ATOM 1141 CB VAL A 77 1.989 -8.561 6.297 1.00 2.13 C ATOM 1142 CG1 VAL A 77 2.175 -7.273 5.452 1.00 54.24 C ATOM 1143 CG2 VAL A 77 3.149 -9.559 6.045 1.00 33.51 C ATOM 0 H VAL A 77 1.524 -10.328 7.995 1.00 21.34 H new ATOM 0 HA VAL A 77 2.792 -7.845 8.205 1.00 61.33 H new ATOM 0 HB VAL A 77 1.055 -9.022 5.975 1.00 2.13 H new ATOM 0 HG11 VAL A 77 2.266 -7.539 4.399 1.00 54.24 H new ATOM 0 HG12 VAL A 77 1.313 -6.621 5.589 1.00 54.24 H new ATOM 0 HG13 VAL A 77 3.078 -6.754 5.774 1.00 54.24 H new ATOM 0 HG21 VAL A 77 3.229 -9.762 4.977 1.00 33.51 H new ATOM 0 HG22 VAL A 77 4.084 -9.128 6.403 1.00 33.51 H new ATOM 0 HG23 VAL A 77 2.951 -10.489 6.578 1.00 33.51 H new ATOM 1153 N GLN A 78 -0.507 -7.602 8.108 1.00 31.35 N ATOM 1154 CA GLN A 78 -1.663 -6.733 8.424 1.00 65.14 C ATOM 1155 C GLN A 78 -1.576 -6.148 9.861 1.00 42.12 C ATOM 1156 O GLN A 78 -1.777 -4.944 10.076 1.00 71.50 O ATOM 1157 CB GLN A 78 -2.983 -7.536 8.245 1.00 1.14 C ATOM 1158 CG GLN A 78 -4.255 -6.777 8.684 1.00 22.03 C ATOM 1159 CD GLN A 78 -5.560 -7.539 8.466 1.00 63.42 C ATOM 1160 OE1 GLN A 78 -5.597 -8.763 8.455 1.00 4.24 O ATOM 1161 NE2 GLN A 78 -6.655 -6.815 8.346 1.00 24.40 N ATOM 0 H GLN A 78 -0.765 -8.571 7.918 1.00 31.35 H new ATOM 0 HA GLN A 78 -1.649 -5.890 7.733 1.00 65.14 H new ATOM 0 HB2 GLN A 78 -3.085 -7.815 7.196 1.00 1.14 H new ATOM 0 HB3 GLN A 78 -2.911 -8.462 8.816 1.00 1.14 H new ATOM 0 HG2 GLN A 78 -4.167 -6.530 9.742 1.00 22.03 H new ATOM 0 HG3 GLN A 78 -4.305 -5.834 8.139 1.00 22.03 H new ATOM 0 HE21 GLN A 78 -6.597 -5.797 8.358 1.00 24.40 H new ATOM 0 HE22 GLN A 78 -7.560 -7.273 8.241 1.00 24.40 H new ATOM 1170 N ARG A 79 -1.254 -7.020 10.825 1.00 23.04 N ATOM 1171 CA ARG A 79 -1.253 -6.687 12.270 1.00 13.14 C ATOM 1172 C ARG A 79 -0.063 -5.770 12.660 1.00 63.23 C ATOM 1173 O ARG A 79 -0.242 -4.803 13.400 1.00 24.52 O ATOM 1174 CB ARG A 79 -1.234 -8.005 13.084 1.00 53.21 C ATOM 1175 CG ARG A 79 -2.481 -8.889 12.857 1.00 44.24 C ATOM 1176 CD ARG A 79 -2.318 -10.315 13.409 1.00 50.12 C ATOM 1177 NE ARG A 79 -2.129 -10.352 14.866 1.00 73.35 N ATOM 1178 CZ ARG A 79 -2.185 -11.435 15.612 1.00 34.03 C ATOM 1179 NH1 ARG A 79 -2.364 -12.611 15.091 1.00 1.54 N ATOM 1180 NH2 ARG A 79 -2.053 -11.322 16.891 1.00 2.23 N ATOM 0 H ARG A 79 -0.984 -7.984 10.631 1.00 23.04 H new ATOM 0 HA ARG A 79 -2.158 -6.124 12.500 1.00 13.14 H new ATOM 0 HB2 ARG A 79 -0.343 -8.573 12.819 1.00 53.21 H new ATOM 0 HB3 ARG A 79 -1.156 -7.766 14.145 1.00 53.21 H new ATOM 0 HG2 ARG A 79 -3.343 -8.419 13.330 1.00 44.24 H new ATOM 0 HG3 ARG A 79 -2.693 -8.941 11.789 1.00 44.24 H new ATOM 0 HD2 ARG A 79 -3.199 -10.902 13.148 1.00 50.12 H new ATOM 0 HD3 ARG A 79 -1.464 -10.790 12.926 1.00 50.12 H new ATOM 0 HE ARG A 79 -1.939 -9.467 15.337 1.00 73.35 H new ATOM 0 HH11 ARG A 79 -2.465 -12.711 14.081 1.00 1.54 H new ATOM 0 HH12 ARG A 79 -2.404 -13.434 15.692 1.00 1.54 H new ATOM 0 HH21 ARG A 79 -1.908 -10.403 17.310 1.00 2.23 H new ATOM 0 HH22 ARG A 79 -2.094 -12.151 17.483 1.00 2.23 H new ATOM 1194 N ASP A 80 1.145 -6.091 12.160 1.00 63.03 N ATOM 1195 CA ASP A 80 2.361 -5.255 12.345 1.00 54.32 C ATOM 1196 C ASP A 80 2.211 -3.867 11.689 1.00 31.21 C ATOM 1197 O ASP A 80 2.756 -2.880 12.194 1.00 5.20 O ATOM 1198 CB ASP A 80 3.615 -5.984 11.791 1.00 24.42 C ATOM 1199 CG ASP A 80 4.032 -7.167 12.676 1.00 1.14 C ATOM 1200 OD1 ASP A 80 4.813 -6.957 13.632 1.00 44.11 O ATOM 1201 OD2 ASP A 80 3.567 -8.300 12.442 1.00 71.45 O ATOM 0 H ASP A 80 1.313 -6.937 11.615 1.00 63.03 H new ATOM 0 HA ASP A 80 2.488 -5.099 13.416 1.00 54.32 H new ATOM 0 HB2 ASP A 80 3.410 -6.341 10.782 1.00 24.42 H new ATOM 0 HB3 ASP A 80 4.442 -5.278 11.717 1.00 24.42 H new ATOM 1206 N LEU A 81 1.475 -3.804 10.561 1.00 3.13 N ATOM 1207 CA LEU A 81 1.155 -2.521 9.898 1.00 15.34 C ATOM 1208 C LEU A 81 0.218 -1.659 10.781 1.00 72.23 C ATOM 1209 O LEU A 81 0.432 -0.459 10.936 1.00 63.52 O ATOM 1210 CB LEU A 81 0.502 -2.741 8.512 1.00 41.11 C ATOM 1211 CG LEU A 81 0.285 -1.437 7.672 1.00 53.40 C ATOM 1212 CD1 LEU A 81 1.630 -0.817 7.228 1.00 42.51 C ATOM 1213 CD2 LEU A 81 -0.644 -1.691 6.470 1.00 55.13 C ATOM 0 H LEU A 81 1.091 -4.624 10.090 1.00 3.13 H new ATOM 0 HA LEU A 81 2.098 -1.994 9.755 1.00 15.34 H new ATOM 0 HB2 LEU A 81 1.125 -3.427 7.938 1.00 41.11 H new ATOM 0 HB3 LEU A 81 -0.462 -3.229 8.654 1.00 41.11 H new ATOM 0 HG LEU A 81 -0.208 -0.711 8.318 1.00 53.40 H new ATOM 0 HD11 LEU A 81 1.440 0.086 6.648 1.00 42.51 H new ATOM 0 HD12 LEU A 81 2.223 -0.565 8.108 1.00 42.51 H new ATOM 0 HD13 LEU A 81 2.177 -1.534 6.615 1.00 42.51 H new ATOM 0 HD21 LEU A 81 -0.774 -0.766 5.908 1.00 55.13 H new ATOM 0 HD22 LEU A 81 -0.203 -2.449 5.823 1.00 55.13 H new ATOM 0 HD23 LEU A 81 -1.614 -2.038 6.827 1.00 55.13 H new ATOM 1225 N ALA A 82 -0.822 -2.296 11.345 1.00 4.41 N ATOM 1226 CA ALA A 82 -1.787 -1.633 12.259 1.00 71.22 C ATOM 1227 C ALA A 82 -1.107 -1.156 13.570 1.00 50.01 C ATOM 1228 O ALA A 82 -1.418 -0.075 14.092 1.00 25.24 O ATOM 1229 CB ALA A 82 -2.948 -2.593 12.567 1.00 40.35 C ATOM 0 H ALA A 82 -1.023 -3.283 11.185 1.00 4.41 H new ATOM 0 HA ALA A 82 -2.174 -0.745 11.759 1.00 71.22 H new ATOM 0 HB1 ALA A 82 -3.655 -2.105 13.238 1.00 40.35 H new ATOM 0 HB2 ALA A 82 -3.454 -2.862 11.640 1.00 40.35 H new ATOM 0 HB3 ALA A 82 -2.559 -3.494 13.042 1.00 40.35 H new ATOM 1235 N SER A 83 -0.168 -1.982 14.067 1.00 70.24 N ATOM 1236 CA SER A 83 0.595 -1.720 15.307 1.00 51.11 C ATOM 1237 C SER A 83 1.481 -0.468 15.157 1.00 21.45 C ATOM 1238 O SER A 83 1.401 0.466 15.970 1.00 52.32 O ATOM 1239 CB SER A 83 1.463 -2.953 15.653 1.00 23.25 C ATOM 1240 OG SER A 83 2.207 -2.765 16.846 1.00 1.24 O ATOM 0 H SER A 83 0.087 -2.861 13.616 1.00 70.24 H new ATOM 0 HA SER A 83 -0.111 -1.536 16.117 1.00 51.11 H new ATOM 0 HB2 SER A 83 0.822 -3.828 15.760 1.00 23.25 H new ATOM 0 HB3 SER A 83 2.146 -3.157 14.829 1.00 23.25 H new ATOM 0 HG SER A 83 2.740 -3.567 17.029 1.00 1.24 H new ATOM 1246 N GLN A 84 2.306 -0.449 14.087 1.00 0.13 N ATOM 1247 CA GLN A 84 3.176 0.703 13.775 1.00 1.04 C ATOM 1248 C GLN A 84 2.357 1.956 13.362 1.00 65.33 C ATOM 1249 O GLN A 84 2.745 3.056 13.696 1.00 74.03 O ATOM 1250 CB GLN A 84 4.229 0.334 12.689 1.00 2.44 C ATOM 1251 CG GLN A 84 3.666 0.090 11.276 1.00 50.24 C ATOM 1252 CD GLN A 84 4.721 -0.386 10.271 1.00 14.23 C ATOM 1253 OE1 GLN A 84 5.366 0.413 9.597 1.00 4.44 O ATOM 1254 NE2 GLN A 84 4.908 -1.691 10.164 1.00 4.12 N ATOM 0 H GLN A 84 2.387 -1.221 13.425 1.00 0.13 H new ATOM 0 HA GLN A 84 3.711 0.958 14.690 1.00 1.04 H new ATOM 0 HB2 GLN A 84 4.965 1.136 12.634 1.00 2.44 H new ATOM 0 HB3 GLN A 84 4.758 -0.563 13.010 1.00 2.44 H new ATOM 0 HG2 GLN A 84 2.870 -0.652 11.334 1.00 50.24 H new ATOM 0 HG3 GLN A 84 3.216 1.012 10.909 1.00 50.24 H new ATOM 0 HE21 GLN A 84 4.359 -2.333 10.735 1.00 4.12 H new ATOM 0 HE22 GLN A 84 5.601 -2.055 9.510 1.00 4.12 H new ATOM 1263 N CYS A 85 1.200 1.776 12.683 1.00 70.20 N ATOM 1264 CA CYS A 85 0.340 2.917 12.218 1.00 74.45 C ATOM 1265 C CYS A 85 -0.106 3.837 13.387 1.00 64.42 C ATOM 1266 O CYS A 85 -0.317 5.044 13.208 1.00 33.00 O ATOM 1267 CB CYS A 85 -0.898 2.397 11.462 1.00 63.20 C ATOM 1268 SG CYS A 85 -1.926 3.694 10.732 1.00 51.41 S ATOM 0 H CYS A 85 0.831 0.857 12.440 1.00 70.20 H new ATOM 0 HA CYS A 85 0.953 3.513 11.542 1.00 74.45 H new ATOM 0 HB2 CYS A 85 -0.569 1.723 10.671 1.00 63.20 H new ATOM 0 HB3 CYS A 85 -1.508 1.810 12.149 1.00 63.20 H new ATOM 0 HG CYS A 85 -2.975 3.887 11.476 1.00 51.41 H new ATOM 1274 N ALA A 86 -0.226 3.238 14.582 1.00 62.43 N ATOM 1275 CA ALA A 86 -0.523 3.963 15.837 1.00 22.13 C ATOM 1276 C ALA A 86 0.780 4.502 16.503 1.00 24.41 C ATOM 1277 O ALA A 86 0.823 5.644 16.974 1.00 51.51 O ATOM 1278 CB ALA A 86 -1.281 3.024 16.794 1.00 65.03 C ATOM 0 H ALA A 86 -0.120 2.232 14.710 1.00 62.43 H new ATOM 0 HA ALA A 86 -1.147 4.827 15.608 1.00 22.13 H new ATOM 0 HB1 ALA A 86 -1.503 3.552 17.721 1.00 65.03 H new ATOM 0 HB2 ALA A 86 -2.212 2.703 16.327 1.00 65.03 H new ATOM 0 HB3 ALA A 86 -0.665 2.152 17.012 1.00 65.03 H new ATOM 1284 N SER A 87 1.839 3.657 16.517 1.00 40.31 N ATOM 1285 CA SER A 87 3.144 3.954 17.189 1.00 43.33 C ATOM 1286 C SER A 87 3.969 5.072 16.498 1.00 61.05 C ATOM 1287 O SER A 87 4.757 5.762 17.152 1.00 61.43 O ATOM 1288 CB SER A 87 4.012 2.671 17.247 1.00 71.14 C ATOM 1289 OG SER A 87 3.370 1.641 17.972 1.00 32.22 O ATOM 0 H SER A 87 1.820 2.744 16.063 1.00 40.31 H new ATOM 0 HA SER A 87 2.887 4.310 18.187 1.00 43.33 H new ATOM 0 HB2 SER A 87 4.222 2.327 16.234 1.00 71.14 H new ATOM 0 HB3 SER A 87 4.971 2.900 17.711 1.00 71.14 H new ATOM 0 HG SER A 87 2.708 1.201 17.399 1.00 32.22 H new ATOM 1295 N MET A 88 3.797 5.228 15.178 1.00 4.24 N ATOM 1296 CA MET A 88 4.580 6.186 14.363 1.00 24.10 C ATOM 1297 C MET A 88 4.035 7.627 14.491 1.00 25.13 C ATOM 1298 O MET A 88 4.720 8.527 14.972 1.00 21.52 O ATOM 1299 CB MET A 88 4.536 5.782 12.862 1.00 24.02 C ATOM 1300 CG MET A 88 5.163 4.435 12.496 1.00 41.25 C ATOM 1301 SD MET A 88 6.960 4.410 12.580 1.00 43.03 S ATOM 1302 CE MET A 88 7.299 2.965 11.571 1.00 53.53 C ATOM 0 H MET A 88 3.113 4.697 14.639 1.00 4.24 H new ATOM 0 HA MET A 88 5.603 6.157 14.737 1.00 24.10 H new ATOM 0 HB2 MET A 88 3.494 5.771 12.543 1.00 24.02 H new ATOM 0 HB3 MET A 88 5.038 6.559 12.285 1.00 24.02 H new ATOM 0 HG2 MET A 88 4.769 3.670 13.165 1.00 41.25 H new ATOM 0 HG3 MET A 88 4.854 4.166 11.486 1.00 41.25 H new ATOM 0 HE1 MET A 88 7.936 2.276 12.125 1.00 53.53 H new ATOM 0 HE2 MET A 88 6.362 2.469 11.319 1.00 53.53 H new ATOM 0 HE3 MET A 88 7.805 3.271 10.656 1.00 53.53 H new ATOM 1312 N LEU A 89 2.769 7.801 14.085 1.00 13.10 N ATOM 1313 CA LEU A 89 2.185 9.123 13.753 1.00 15.43 C ATOM 1314 C LEU A 89 1.715 9.901 15.003 1.00 14.15 C ATOM 1315 O LEU A 89 1.552 9.315 16.080 1.00 61.13 O ATOM 1316 CB LEU A 89 1.017 8.907 12.748 1.00 35.54 C ATOM 1317 CG LEU A 89 1.336 7.929 11.561 1.00 14.53 C ATOM 1318 CD1 LEU A 89 0.126 7.743 10.626 1.00 53.35 C ATOM 1319 CD2 LEU A 89 2.587 8.381 10.771 1.00 12.32 C ATOM 0 H LEU A 89 2.112 7.029 13.975 1.00 13.10 H new ATOM 0 HA LEU A 89 2.960 9.741 13.300 1.00 15.43 H new ATOM 0 HB2 LEU A 89 0.155 8.524 13.293 1.00 35.54 H new ATOM 0 HB3 LEU A 89 0.729 9.874 12.335 1.00 35.54 H new ATOM 0 HG LEU A 89 1.556 6.958 12.004 1.00 14.53 H new ATOM 0 HD11 LEU A 89 0.391 7.059 9.820 1.00 53.35 H new ATOM 0 HD12 LEU A 89 -0.710 7.331 11.191 1.00 53.35 H new ATOM 0 HD13 LEU A 89 -0.160 8.707 10.205 1.00 53.35 H new ATOM 0 HD21 LEU A 89 2.777 7.680 9.958 1.00 12.32 H new ATOM 0 HD22 LEU A 89 2.418 9.376 10.360 1.00 12.32 H new ATOM 0 HD23 LEU A 89 3.449 8.405 11.438 1.00 12.32 H new ATOM 1331 N ASN A 90 1.571 11.238 14.849 1.00 32.44 N ATOM 1332 CA ASN A 90 1.051 12.138 15.915 1.00 75.33 C ATOM 1333 C ASN A 90 -0.287 11.640 16.533 1.00 0.43 C ATOM 1334 O ASN A 90 -0.399 11.519 17.758 1.00 72.35 O ATOM 1335 CB ASN A 90 0.919 13.599 15.392 1.00 2.32 C ATOM 1336 CG ASN A 90 0.098 13.736 14.108 1.00 52.11 C ATOM 1337 OD1 ASN A 90 0.749 13.694 12.975 1.00 10.11 O flip ATOM 1338 ND2 ASN A 90 -1.115 13.882 14.133 1.00 14.21 N flip ATOM 0 H ASN A 90 1.810 11.726 13.986 1.00 32.44 H new ATOM 0 HA ASN A 90 1.784 12.121 16.721 1.00 75.33 H new ATOM 0 HB2 ASN A 90 0.461 14.211 16.169 1.00 2.32 H new ATOM 0 HB3 ASN A 90 1.917 14.001 15.216 1.00 2.32 H new ATOM 0 HD21 ASN A 90 -1.607 13.912 15.026 1.00 14.21 H new ATOM 0 HD22 ASN A 90 -1.636 13.973 13.261 1.00 14.21 H new ATOM 1345 N VAL A 91 -1.290 11.352 15.685 1.00 44.34 N ATOM 1346 CA VAL A 91 -2.591 10.790 16.129 1.00 62.43 C ATOM 1347 C VAL A 91 -2.728 9.303 15.734 1.00 73.41 C ATOM 1348 O VAL A 91 -1.903 8.756 14.985 1.00 1.33 O ATOM 1349 CB VAL A 91 -3.808 11.592 15.524 1.00 70.35 C ATOM 1350 CG1 VAL A 91 -3.787 13.070 15.984 1.00 55.21 C ATOM 1351 CG2 VAL A 91 -3.842 11.480 13.975 1.00 40.21 C ATOM 0 H VAL A 91 -1.229 11.499 14.677 1.00 44.34 H new ATOM 0 HA VAL A 91 -2.610 10.878 17.215 1.00 62.43 H new ATOM 0 HB VAL A 91 -4.725 11.142 15.905 1.00 70.35 H new ATOM 0 HG11 VAL A 91 -4.637 13.598 15.552 1.00 55.21 H new ATOM 0 HG12 VAL A 91 -3.848 13.114 17.071 1.00 55.21 H new ATOM 0 HG13 VAL A 91 -2.861 13.541 15.653 1.00 55.21 H new ATOM 0 HG21 VAL A 91 -4.691 12.043 13.588 1.00 40.21 H new ATOM 0 HG22 VAL A 91 -2.919 11.885 13.561 1.00 40.21 H new ATOM 0 HG23 VAL A 91 -3.939 10.433 13.688 1.00 40.21 H new ATOM 1361 N ALA A 92 -3.793 8.664 16.247 1.00 52.32 N ATOM 1362 CA ALA A 92 -4.192 7.313 15.830 1.00 45.53 C ATOM 1363 C ALA A 92 -4.899 7.369 14.451 1.00 1.01 C ATOM 1364 O ALA A 92 -6.078 7.745 14.350 1.00 65.43 O ATOM 1365 CB ALA A 92 -5.095 6.666 16.898 1.00 54.02 C ATOM 0 H ALA A 92 -4.399 9.070 16.960 1.00 52.32 H new ATOM 0 HA ALA A 92 -3.301 6.693 15.729 1.00 45.53 H new ATOM 0 HB1 ALA A 92 -5.382 5.666 16.574 1.00 54.02 H new ATOM 0 HB2 ALA A 92 -4.553 6.601 17.841 1.00 54.02 H new ATOM 0 HB3 ALA A 92 -5.989 7.274 17.035 1.00 54.02 H new ATOM 1371 N LEU A 93 -4.141 7.048 13.389 1.00 20.43 N ATOM 1372 CA LEU A 93 -4.694 6.930 12.027 1.00 50.13 C ATOM 1373 C LEU A 93 -5.270 5.505 11.879 1.00 73.11 C ATOM 1374 O LEU A 93 -4.589 4.519 12.186 1.00 11.44 O ATOM 1375 CB LEU A 93 -3.606 7.253 10.946 1.00 21.25 C ATOM 1376 CG LEU A 93 -4.120 7.768 9.542 1.00 23.52 C ATOM 1377 CD1 LEU A 93 -2.963 8.345 8.692 1.00 73.30 C ATOM 1378 CD2 LEU A 93 -4.870 6.675 8.743 1.00 34.40 C ATOM 0 H LEU A 93 -3.139 6.865 13.447 1.00 20.43 H new ATOM 0 HA LEU A 93 -5.490 7.658 11.869 1.00 50.13 H new ATOM 0 HB2 LEU A 93 -2.933 8.005 11.357 1.00 21.25 H new ATOM 0 HB3 LEU A 93 -3.015 6.352 10.781 1.00 21.25 H new ATOM 0 HG LEU A 93 -4.832 8.565 9.757 1.00 23.52 H new ATOM 0 HD11 LEU A 93 -3.352 8.689 7.734 1.00 73.30 H new ATOM 0 HD12 LEU A 93 -2.506 9.182 9.220 1.00 73.30 H new ATOM 0 HD13 LEU A 93 -2.215 7.571 8.522 1.00 73.30 H new ATOM 0 HD21 LEU A 93 -5.200 7.084 7.788 1.00 34.40 H new ATOM 0 HD22 LEU A 93 -4.203 5.832 8.565 1.00 34.40 H new ATOM 0 HD23 LEU A 93 -5.736 6.338 9.312 1.00 34.40 H new ATOM 1390 N ARG A 94 -6.543 5.414 11.460 1.00 1.42 N ATOM 1391 CA ARG A 94 -7.233 4.125 11.223 1.00 31.13 C ATOM 1392 C ARG A 94 -7.462 3.899 9.701 1.00 61.15 C ATOM 1393 O ARG A 94 -8.424 4.424 9.124 1.00 71.05 O ATOM 1394 CB ARG A 94 -8.583 4.028 12.031 1.00 74.44 C ATOM 1395 CG ARG A 94 -9.553 5.246 11.921 1.00 73.51 C ATOM 1396 CD ARG A 94 -9.270 6.357 12.957 1.00 72.10 C ATOM 1397 NE ARG A 94 -9.537 5.901 14.336 1.00 52.42 N ATOM 1398 CZ ARG A 94 -9.313 6.591 15.436 1.00 73.41 C ATOM 1399 NH1 ARG A 94 -8.730 7.748 15.403 1.00 72.10 N ATOM 1400 NH2 ARG A 94 -9.655 6.093 16.577 1.00 74.13 N ATOM 0 H ARG A 94 -7.127 6.229 11.275 1.00 1.42 H new ATOM 0 HA ARG A 94 -6.587 3.328 11.590 1.00 31.13 H new ATOM 0 HB2 ARG A 94 -9.116 3.137 11.698 1.00 74.44 H new ATOM 0 HB3 ARG A 94 -8.340 3.880 13.083 1.00 74.44 H new ATOM 0 HG2 ARG A 94 -9.481 5.668 10.919 1.00 73.51 H new ATOM 0 HG3 ARG A 94 -10.578 4.896 12.046 1.00 73.51 H new ATOM 0 HD2 ARG A 94 -8.231 6.675 12.874 1.00 72.10 H new ATOM 0 HD3 ARG A 94 -9.888 7.227 12.735 1.00 72.10 H new ATOM 0 HE ARG A 94 -9.931 4.967 14.447 1.00 52.42 H new ATOM 0 HH11 ARG A 94 -8.433 8.144 14.511 1.00 72.10 H new ATOM 0 HH12 ARG A 94 -8.568 8.262 16.269 1.00 72.10 H new ATOM 0 HH21 ARG A 94 -10.094 5.173 16.621 1.00 74.13 H new ATOM 0 HH22 ARG A 94 -9.486 6.619 17.434 1.00 74.13 H new ATOM 1414 N PRO A 95 -6.532 3.168 8.999 1.00 43.21 N ATOM 1415 CA PRO A 95 -6.756 2.724 7.613 1.00 41.13 C ATOM 1416 C PRO A 95 -7.650 1.460 7.554 1.00 25.22 C ATOM 1417 O PRO A 95 -7.808 0.740 8.552 1.00 74.30 O ATOM 1418 CB PRO A 95 -5.316 2.442 7.069 1.00 22.01 C ATOM 1419 CG PRO A 95 -4.373 2.781 8.199 1.00 5.01 C ATOM 1420 CD PRO A 95 -5.194 2.739 9.469 1.00 34.43 C ATOM 0 HA PRO A 95 -7.286 3.468 7.018 1.00 41.13 H new ATOM 0 HB2 PRO A 95 -5.209 1.399 6.770 1.00 22.01 H new ATOM 0 HB3 PRO A 95 -5.105 3.049 6.189 1.00 22.01 H new ATOM 0 HG2 PRO A 95 -3.550 2.068 8.245 1.00 5.01 H new ATOM 0 HG3 PRO A 95 -3.932 3.767 8.054 1.00 5.01 H new ATOM 0 HD2 PRO A 95 -5.218 1.740 9.904 1.00 34.43 H new ATOM 0 HD3 PRO A 95 -4.797 3.409 10.231 1.00 34.43 H new ATOM 1428 N GLU A 96 -8.215 1.192 6.375 1.00 44.45 N ATOM 1429 CA GLU A 96 -9.010 -0.030 6.144 1.00 20.44 C ATOM 1430 C GLU A 96 -8.092 -1.094 5.513 1.00 63.12 C ATOM 1431 O GLU A 96 -7.390 -0.811 4.550 1.00 74.14 O ATOM 1432 CB GLU A 96 -10.261 0.258 5.269 1.00 13.31 C ATOM 1433 CG GLU A 96 -11.177 -0.968 5.015 1.00 53.42 C ATOM 1434 CD GLU A 96 -11.659 -1.670 6.302 1.00 43.02 C ATOM 1435 OE1 GLU A 96 -12.662 -1.217 6.898 1.00 70.41 O ATOM 1436 OE2 GLU A 96 -11.032 -2.673 6.726 1.00 3.45 O ATOM 0 H GLU A 96 -8.140 1.802 5.561 1.00 44.45 H new ATOM 0 HA GLU A 96 -9.393 -0.405 7.093 1.00 20.44 H new ATOM 0 HB2 GLU A 96 -10.850 1.040 5.749 1.00 13.31 H new ATOM 0 HB3 GLU A 96 -9.931 0.652 4.308 1.00 13.31 H new ATOM 0 HG2 GLU A 96 -12.046 -0.646 4.442 1.00 53.42 H new ATOM 0 HG3 GLU A 96 -10.639 -1.689 4.400 1.00 53.42 H new ATOM 1443 N MET A 97 -8.071 -2.308 6.087 1.00 31.05 N ATOM 1444 CA MET A 97 -7.132 -3.378 5.678 1.00 42.15 C ATOM 1445 C MET A 97 -7.907 -4.669 5.339 1.00 65.50 C ATOM 1446 O MET A 97 -8.509 -5.287 6.226 1.00 23.23 O ATOM 1447 CB MET A 97 -6.097 -3.631 6.811 1.00 72.41 C ATOM 1448 CG MET A 97 -5.269 -2.404 7.204 1.00 64.03 C ATOM 1449 SD MET A 97 -4.129 -2.748 8.560 1.00 21.45 S ATOM 1450 CE MET A 97 -3.447 -1.120 8.870 1.00 63.40 C ATOM 0 H MET A 97 -8.699 -2.579 6.844 1.00 31.05 H new ATOM 0 HA MET A 97 -6.596 -3.063 4.783 1.00 42.15 H new ATOM 0 HB2 MET A 97 -6.625 -3.994 7.693 1.00 72.41 H new ATOM 0 HB3 MET A 97 -5.419 -4.424 6.496 1.00 72.41 H new ATOM 0 HG2 MET A 97 -4.705 -2.057 6.338 1.00 64.03 H new ATOM 0 HG3 MET A 97 -5.939 -1.594 7.493 1.00 64.03 H new ATOM 0 HE1 MET A 97 -2.561 -1.210 9.498 1.00 63.40 H new ATOM 0 HE2 MET A 97 -3.174 -0.653 7.923 1.00 63.40 H new ATOM 0 HE3 MET A 97 -4.190 -0.505 9.377 1.00 63.40 H new ATOM 1460 N GLN A 98 -7.874 -5.081 4.052 1.00 12.31 N ATOM 1461 CA GLN A 98 -8.596 -6.284 3.554 1.00 72.23 C ATOM 1462 C GLN A 98 -7.624 -7.267 2.863 1.00 41.31 C ATOM 1463 O GLN A 98 -6.785 -6.865 2.051 1.00 51.41 O ATOM 1464 CB GLN A 98 -9.737 -5.890 2.568 1.00 44.31 C ATOM 1465 CG GLN A 98 -10.864 -5.020 3.171 1.00 33.20 C ATOM 1466 CD GLN A 98 -11.683 -5.706 4.268 1.00 13.13 C ATOM 1467 OE1 GLN A 98 -12.674 -6.376 3.993 1.00 23.31 O ATOM 1468 NE2 GLN A 98 -11.319 -5.502 5.518 1.00 23.43 N ATOM 0 H GLN A 98 -7.348 -4.593 3.327 1.00 12.31 H new ATOM 0 HA GLN A 98 -9.039 -6.777 4.419 1.00 72.23 H new ATOM 0 HB2 GLN A 98 -9.298 -5.354 1.727 1.00 44.31 H new ATOM 0 HB3 GLN A 98 -10.180 -6.802 2.168 1.00 44.31 H new ATOM 0 HG2 GLN A 98 -10.423 -4.111 3.580 1.00 33.20 H new ATOM 0 HG3 GLN A 98 -11.538 -4.715 2.370 1.00 33.20 H new ATOM 0 HE21 GLN A 98 -10.492 -4.942 5.723 1.00 23.43 H new ATOM 0 HE22 GLN A 98 -11.865 -5.904 6.280 1.00 23.43 H new ATOM 1477 N LEU A 99 -7.750 -8.558 3.208 1.00 33.21 N ATOM 1478 CA LEU A 99 -6.950 -9.656 2.616 1.00 42.55 C ATOM 1479 C LEU A 99 -7.744 -10.352 1.480 1.00 0.32 C ATOM 1480 O LEU A 99 -8.871 -10.816 1.688 1.00 41.13 O ATOM 1481 CB LEU A 99 -6.548 -10.669 3.723 1.00 52.53 C ATOM 1482 CG LEU A 99 -5.509 -10.146 4.777 1.00 75.50 C ATOM 1483 CD1 LEU A 99 -5.373 -11.122 5.967 1.00 34.15 C ATOM 1484 CD2 LEU A 99 -4.131 -9.884 4.114 1.00 35.13 C ATOM 0 H LEU A 99 -8.415 -8.878 3.912 1.00 33.21 H new ATOM 0 HA LEU A 99 -6.040 -9.243 2.180 1.00 42.55 H new ATOM 0 HB2 LEU A 99 -7.450 -10.979 4.251 1.00 52.53 H new ATOM 0 HB3 LEU A 99 -6.137 -11.558 3.245 1.00 52.53 H new ATOM 0 HG LEU A 99 -5.883 -9.200 5.168 1.00 75.50 H new ATOM 0 HD11 LEU A 99 -4.646 -10.730 6.678 1.00 34.15 H new ATOM 0 HD12 LEU A 99 -6.339 -11.232 6.459 1.00 34.15 H new ATOM 0 HD13 LEU A 99 -5.038 -12.094 5.604 1.00 34.15 H new ATOM 0 HD21 LEU A 99 -3.429 -9.522 4.865 1.00 35.13 H new ATOM 0 HD22 LEU A 99 -3.754 -10.810 3.681 1.00 35.13 H new ATOM 0 HD23 LEU A 99 -4.241 -9.135 3.330 1.00 35.13 H new ATOM 1496 N GLU A 100 -7.139 -10.422 0.280 1.00 63.04 N ATOM 1497 CA GLU A 100 -7.788 -10.988 -0.936 1.00 20.43 C ATOM 1498 C GLU A 100 -6.830 -11.919 -1.693 1.00 0.32 C ATOM 1499 O GLU A 100 -5.630 -11.662 -1.752 1.00 40.42 O ATOM 1500 CB GLU A 100 -8.255 -9.863 -1.900 1.00 60.31 C ATOM 1501 CG GLU A 100 -9.323 -8.913 -1.328 1.00 31.14 C ATOM 1502 CD GLU A 100 -9.746 -7.841 -2.331 1.00 23.13 C ATOM 1503 OE1 GLU A 100 -8.977 -6.890 -2.527 1.00 11.42 O ATOM 1504 OE2 GLU A 100 -10.835 -7.953 -2.941 1.00 61.14 O ATOM 0 H GLU A 100 -6.188 -10.091 0.117 1.00 63.04 H new ATOM 0 HA GLU A 100 -8.654 -11.556 -0.596 1.00 20.43 H new ATOM 0 HB2 GLU A 100 -7.386 -9.273 -2.193 1.00 60.31 H new ATOM 0 HB3 GLU A 100 -8.648 -10.323 -2.806 1.00 60.31 H new ATOM 0 HG2 GLU A 100 -10.197 -9.491 -1.028 1.00 31.14 H new ATOM 0 HG3 GLU A 100 -8.935 -8.433 -0.430 1.00 31.14 H new ATOM 1511 N GLN A 101 -7.380 -12.976 -2.312 1.00 52.53 N ATOM 1512 CA GLN A 101 -6.597 -13.934 -3.117 1.00 63.01 C ATOM 1513 C GLN A 101 -6.761 -13.643 -4.627 1.00 42.12 C ATOM 1514 O GLN A 101 -7.861 -13.728 -5.179 1.00 43.24 O ATOM 1515 CB GLN A 101 -6.987 -15.406 -2.798 1.00 71.23 C ATOM 1516 CG GLN A 101 -6.537 -15.929 -1.408 1.00 0.40 C ATOM 1517 CD GLN A 101 -7.294 -15.324 -0.215 1.00 53.41 C ATOM 1518 OE1 GLN A 101 -8.464 -14.975 -0.310 1.00 2.23 O ATOM 1519 NE2 GLN A 101 -6.646 -15.225 0.927 1.00 5.51 N ATOM 0 H GLN A 101 -8.376 -13.192 -2.270 1.00 52.53 H new ATOM 0 HA GLN A 101 -5.548 -13.805 -2.850 1.00 63.01 H new ATOM 0 HB2 GLN A 101 -8.071 -15.500 -2.869 1.00 71.23 H new ATOM 0 HB3 GLN A 101 -6.560 -16.051 -3.566 1.00 71.23 H new ATOM 0 HG2 GLN A 101 -6.659 -17.012 -1.386 1.00 0.40 H new ATOM 0 HG3 GLN A 101 -5.473 -15.726 -1.286 1.00 0.40 H new ATOM 0 HE21 GLN A 101 -5.672 -15.521 0.988 1.00 5.51 H new ATOM 0 HE22 GLN A 101 -7.118 -14.853 1.751 1.00 5.51 H new ATOM 1528 N VAL A 102 -5.638 -13.299 -5.272 1.00 73.40 N ATOM 1529 CA VAL A 102 -5.539 -13.026 -6.718 1.00 60.12 C ATOM 1530 C VAL A 102 -4.417 -13.911 -7.305 1.00 32.52 C ATOM 1531 O VAL A 102 -3.257 -13.791 -6.893 1.00 50.32 O ATOM 1532 CB VAL A 102 -5.242 -11.506 -7.016 1.00 71.24 C ATOM 1533 CG1 VAL A 102 -5.074 -11.259 -8.536 1.00 52.21 C ATOM 1534 CG2 VAL A 102 -6.339 -10.586 -6.407 1.00 24.10 C ATOM 0 H VAL A 102 -4.745 -13.199 -4.790 1.00 73.40 H new ATOM 0 HA VAL A 102 -6.497 -13.259 -7.183 1.00 60.12 H new ATOM 0 HB VAL A 102 -4.298 -11.250 -6.534 1.00 71.24 H new ATOM 0 HG11 VAL A 102 -4.870 -10.203 -8.713 1.00 52.21 H new ATOM 0 HG12 VAL A 102 -4.244 -11.857 -8.912 1.00 52.21 H new ATOM 0 HG13 VAL A 102 -5.990 -11.543 -9.054 1.00 52.21 H new ATOM 0 HG21 VAL A 102 -6.105 -9.545 -6.630 1.00 24.10 H new ATOM 0 HG22 VAL A 102 -7.308 -10.841 -6.837 1.00 24.10 H new ATOM 0 HG23 VAL A 102 -6.374 -10.727 -5.327 1.00 24.10 H new ATOM 1544 N GLY A 103 -4.770 -14.781 -8.273 1.00 14.13 N ATOM 1545 CA GLY A 103 -3.859 -15.824 -8.778 1.00 24.34 C ATOM 1546 C GLY A 103 -3.340 -16.786 -7.692 1.00 33.04 C ATOM 1547 O GLY A 103 -2.229 -17.315 -7.804 1.00 21.32 O ATOM 0 H GLY A 103 -5.686 -14.780 -8.722 1.00 14.13 H new ATOM 0 HA2 GLY A 103 -4.375 -16.403 -9.544 1.00 24.34 H new ATOM 0 HA3 GLY A 103 -3.007 -15.345 -9.261 1.00 24.34 H new ATOM 1551 N GLY A 104 -4.153 -16.995 -6.633 1.00 1.14 N ATOM 1552 CA GLY A 104 -3.770 -17.842 -5.486 1.00 14.41 C ATOM 1553 C GLY A 104 -2.848 -17.145 -4.468 1.00 70.52 C ATOM 1554 O GLY A 104 -2.428 -17.763 -3.486 1.00 11.04 O ATOM 0 H GLY A 104 -5.083 -16.585 -6.551 1.00 1.14 H new ATOM 0 HA2 GLY A 104 -4.674 -18.172 -4.974 1.00 14.41 H new ATOM 0 HA3 GLY A 104 -3.271 -18.736 -5.859 1.00 14.41 H new ATOM 1558 N LYS A 105 -2.533 -15.858 -4.709 1.00 74.23 N ATOM 1559 CA LYS A 105 -1.635 -15.049 -3.846 1.00 4.13 C ATOM 1560 C LYS A 105 -2.468 -14.092 -2.973 1.00 44.34 C ATOM 1561 O LYS A 105 -3.359 -13.430 -3.490 1.00 4.44 O ATOM 1562 CB LYS A 105 -0.671 -14.212 -4.730 1.00 12.54 C ATOM 1563 CG LYS A 105 0.075 -15.004 -5.820 1.00 11.23 C ATOM 1564 CD LYS A 105 0.946 -16.145 -5.259 1.00 74.22 C ATOM 1565 CE LYS A 105 1.830 -16.793 -6.339 1.00 32.40 C ATOM 1566 NZ LYS A 105 2.620 -17.933 -5.812 1.00 65.44 N ATOM 0 H LYS A 105 -2.894 -15.342 -5.512 1.00 74.23 H new ATOM 0 HA LYS A 105 -1.062 -15.722 -3.208 1.00 4.13 H new ATOM 0 HB2 LYS A 105 -1.242 -13.416 -5.208 1.00 12.54 H new ATOM 0 HB3 LYS A 105 0.065 -13.733 -4.084 1.00 12.54 H new ATOM 0 HG2 LYS A 105 -0.652 -15.421 -6.518 1.00 11.23 H new ATOM 0 HG3 LYS A 105 0.706 -14.320 -6.388 1.00 11.23 H new ATOM 0 HD2 LYS A 105 1.578 -15.757 -4.460 1.00 74.22 H new ATOM 0 HD3 LYS A 105 0.303 -16.905 -4.815 1.00 74.22 H new ATOM 0 HE2 LYS A 105 1.202 -17.138 -7.160 1.00 32.40 H new ATOM 0 HE3 LYS A 105 2.507 -16.043 -6.749 1.00 32.40 H new ATOM 0 HZ1 LYS A 105 3.199 -18.336 -6.576 1.00 65.44 H new ATOM 0 HZ2 LYS A 105 3.240 -17.601 -5.046 1.00 65.44 H new ATOM 0 HZ3 LYS A 105 1.975 -18.662 -5.445 1.00 65.44 H new ATOM 1580 N THR A 106 -2.167 -13.979 -1.669 1.00 55.14 N ATOM 1581 CA THR A 106 -2.948 -13.103 -0.754 1.00 61.32 C ATOM 1582 C THR A 106 -2.262 -11.726 -0.572 1.00 13.22 C ATOM 1583 O THR A 106 -1.131 -11.651 -0.116 1.00 32.25 O ATOM 1584 CB THR A 106 -3.180 -13.761 0.647 1.00 64.42 C ATOM 1585 OG1 THR A 106 -3.753 -15.070 0.479 1.00 52.03 O ATOM 1586 CG2 THR A 106 -4.127 -12.917 1.532 1.00 43.34 C ATOM 0 H THR A 106 -1.397 -14.475 -1.219 1.00 55.14 H new ATOM 0 HA THR A 106 -3.920 -12.960 -1.226 1.00 61.32 H new ATOM 0 HB THR A 106 -2.211 -13.824 1.141 1.00 64.42 H new ATOM 0 HG1 THR A 106 -3.748 -15.542 1.338 1.00 52.03 H new ATOM 0 HG21 THR A 106 -4.261 -13.410 2.495 1.00 43.34 H new ATOM 0 HG22 THR A 106 -3.695 -11.928 1.687 1.00 43.34 H new ATOM 0 HG23 THR A 106 -5.094 -12.817 1.038 1.00 43.34 H new ATOM 1594 N LEU A 107 -2.994 -10.645 -0.880 1.00 20.20 N ATOM 1595 CA LEU A 107 -2.478 -9.255 -0.799 1.00 41.10 C ATOM 1596 C LEU A 107 -3.230 -8.500 0.311 1.00 3.52 C ATOM 1597 O LEU A 107 -4.321 -8.916 0.725 1.00 62.12 O ATOM 1598 CB LEU A 107 -2.633 -8.487 -2.154 1.00 52.12 C ATOM 1599 CG LEU A 107 -1.741 -8.961 -3.355 1.00 21.15 C ATOM 1600 CD1 LEU A 107 -2.231 -10.299 -3.957 1.00 44.05 C ATOM 1601 CD2 LEU A 107 -1.652 -7.864 -4.442 1.00 72.04 C ATOM 0 H LEU A 107 -3.963 -10.702 -1.194 1.00 20.20 H new ATOM 0 HA LEU A 107 -1.413 -9.307 -0.573 1.00 41.10 H new ATOM 0 HB2 LEU A 107 -3.677 -8.553 -2.462 1.00 52.12 H new ATOM 0 HB3 LEU A 107 -2.421 -7.434 -1.971 1.00 52.12 H new ATOM 0 HG LEU A 107 -0.740 -9.138 -2.960 1.00 21.15 H new ATOM 0 HD11 LEU A 107 -1.582 -10.585 -4.785 1.00 44.05 H new ATOM 0 HD12 LEU A 107 -2.205 -11.074 -3.191 1.00 44.05 H new ATOM 0 HD13 LEU A 107 -3.252 -10.182 -4.320 1.00 44.05 H new ATOM 0 HD21 LEU A 107 -1.029 -8.216 -5.264 1.00 72.04 H new ATOM 0 HD22 LEU A 107 -2.651 -7.639 -4.815 1.00 72.04 H new ATOM 0 HD23 LEU A 107 -1.213 -6.963 -4.014 1.00 72.04 H new ATOM 1613 N LEU A 108 -2.652 -7.381 0.781 1.00 54.54 N ATOM 1614 CA LEU A 108 -3.307 -6.505 1.767 1.00 12.31 C ATOM 1615 C LEU A 108 -3.595 -5.140 1.127 1.00 62.42 C ATOM 1616 O LEU A 108 -2.666 -4.384 0.814 1.00 72.30 O ATOM 1617 CB LEU A 108 -2.440 -6.310 3.034 1.00 30.45 C ATOM 1618 CG LEU A 108 -3.124 -5.480 4.170 1.00 63.20 C ATOM 1619 CD1 LEU A 108 -4.292 -6.265 4.808 1.00 12.14 C ATOM 1620 CD2 LEU A 108 -2.102 -5.025 5.231 1.00 21.42 C ATOM 0 H LEU A 108 -1.728 -7.061 0.492 1.00 54.54 H new ATOM 0 HA LEU A 108 -4.238 -6.984 2.072 1.00 12.31 H new ATOM 0 HB2 LEU A 108 -2.172 -7.290 3.429 1.00 30.45 H new ATOM 0 HB3 LEU A 108 -1.511 -5.816 2.750 1.00 30.45 H new ATOM 0 HG LEU A 108 -3.540 -4.581 3.716 1.00 63.20 H new ATOM 0 HD11 LEU A 108 -4.748 -5.663 5.594 1.00 12.14 H new ATOM 0 HD12 LEU A 108 -5.037 -6.492 4.046 1.00 12.14 H new ATOM 0 HD13 LEU A 108 -3.915 -7.195 5.235 1.00 12.14 H new ATOM 0 HD21 LEU A 108 -2.612 -4.451 6.005 1.00 21.42 H new ATOM 0 HD22 LEU A 108 -1.629 -5.899 5.679 1.00 21.42 H new ATOM 0 HD23 LEU A 108 -1.341 -4.403 4.760 1.00 21.42 H new ATOM 1632 N VAL A 109 -4.880 -4.846 0.923 1.00 53.24 N ATOM 1633 CA VAL A 109 -5.326 -3.541 0.426 1.00 75.13 C ATOM 1634 C VAL A 109 -5.460 -2.565 1.612 1.00 35.02 C ATOM 1635 O VAL A 109 -6.183 -2.848 2.572 1.00 61.15 O ATOM 1636 CB VAL A 109 -6.694 -3.653 -0.334 1.00 10.53 C ATOM 1637 CG1 VAL A 109 -7.078 -2.310 -0.988 1.00 55.32 C ATOM 1638 CG2 VAL A 109 -6.658 -4.785 -1.378 1.00 71.03 C ATOM 0 H VAL A 109 -5.640 -5.503 1.097 1.00 53.24 H new ATOM 0 HA VAL A 109 -4.584 -3.169 -0.281 1.00 75.13 H new ATOM 0 HB VAL A 109 -7.462 -3.899 0.399 1.00 10.53 H new ATOM 0 HG11 VAL A 109 -8.030 -2.417 -1.508 1.00 55.32 H new ATOM 0 HG12 VAL A 109 -7.169 -1.543 -0.218 1.00 55.32 H new ATOM 0 HG13 VAL A 109 -6.307 -2.019 -1.701 1.00 55.32 H new ATOM 0 HG21 VAL A 109 -7.619 -4.839 -1.889 1.00 71.03 H new ATOM 0 HG22 VAL A 109 -5.871 -4.584 -2.105 1.00 71.03 H new ATOM 0 HG23 VAL A 109 -6.458 -5.733 -0.879 1.00 71.03 H new ATOM 1648 N VAL A 110 -4.735 -1.439 1.552 1.00 34.30 N ATOM 1649 CA VAL A 110 -4.721 -0.422 2.622 1.00 54.11 C ATOM 1650 C VAL A 110 -5.372 0.886 2.118 1.00 1.21 C ATOM 1651 O VAL A 110 -4.746 1.679 1.417 1.00 50.21 O ATOM 1652 CB VAL A 110 -3.247 -0.144 3.114 1.00 64.02 C ATOM 1653 CG1 VAL A 110 -3.208 0.817 4.332 1.00 73.02 C ATOM 1654 CG2 VAL A 110 -2.500 -1.468 3.414 1.00 41.45 C ATOM 0 H VAL A 110 -4.139 -1.204 0.759 1.00 34.30 H new ATOM 0 HA VAL A 110 -5.296 -0.803 3.466 1.00 54.11 H new ATOM 0 HB VAL A 110 -2.726 0.359 2.299 1.00 64.02 H new ATOM 0 HG11 VAL A 110 -2.174 0.979 4.635 1.00 73.02 H new ATOM 0 HG12 VAL A 110 -3.659 1.771 4.058 1.00 73.02 H new ATOM 0 HG13 VAL A 110 -3.764 0.378 5.160 1.00 73.02 H new ATOM 0 HG21 VAL A 110 -1.487 -1.246 3.751 1.00 41.45 H new ATOM 0 HG22 VAL A 110 -3.030 -2.016 4.193 1.00 41.45 H new ATOM 0 HG23 VAL A 110 -2.457 -2.074 2.509 1.00 41.45 H new ATOM 1664 N TYR A 111 -6.638 1.084 2.490 1.00 60.34 N ATOM 1665 CA TYR A 111 -7.426 2.274 2.130 1.00 50.03 C ATOM 1666 C TYR A 111 -7.145 3.430 3.117 1.00 64.41 C ATOM 1667 O TYR A 111 -7.364 3.296 4.324 1.00 61.25 O ATOM 1668 CB TYR A 111 -8.934 1.899 2.113 1.00 50.33 C ATOM 1669 CG TYR A 111 -9.915 3.071 1.950 1.00 23.35 C ATOM 1670 CD1 TYR A 111 -9.985 3.799 0.760 1.00 14.14 C ATOM 1671 CD2 TYR A 111 -10.774 3.445 2.990 1.00 40.42 C ATOM 1672 CE1 TYR A 111 -10.873 4.849 0.616 1.00 33.13 C ATOM 1673 CE2 TYR A 111 -11.659 4.490 2.845 1.00 71.35 C ATOM 1674 CZ TYR A 111 -11.705 5.190 1.659 1.00 2.34 C ATOM 1675 OH TYR A 111 -12.586 6.240 1.524 1.00 3.01 O ATOM 0 H TYR A 111 -7.156 0.414 3.059 1.00 60.34 H new ATOM 0 HA TYR A 111 -7.138 2.618 1.137 1.00 50.03 H new ATOM 0 HB2 TYR A 111 -9.104 1.193 1.300 1.00 50.33 H new ATOM 0 HB3 TYR A 111 -9.170 1.379 3.042 1.00 50.33 H new ATOM 0 HD1 TYR A 111 -9.335 3.537 -0.061 1.00 14.14 H new ATOM 0 HD2 TYR A 111 -10.742 2.904 3.924 1.00 40.42 H new ATOM 0 HE1 TYR A 111 -10.914 5.400 -0.312 1.00 33.13 H new ATOM 0 HE2 TYR A 111 -12.315 4.760 3.659 1.00 71.35 H new ATOM 0 HH TYR A 111 -13.099 6.345 2.352 1.00 3.01 H new ATOM 1685 N VAL A 112 -6.637 4.551 2.586 1.00 51.12 N ATOM 1686 CA VAL A 112 -6.388 5.784 3.352 1.00 24.51 C ATOM 1687 C VAL A 112 -7.477 6.837 2.994 1.00 70.41 C ATOM 1688 O VAL A 112 -7.405 7.455 1.921 1.00 25.10 O ATOM 1689 CB VAL A 112 -4.948 6.365 3.054 1.00 33.23 C ATOM 1690 CG1 VAL A 112 -4.627 7.595 3.946 1.00 21.04 C ATOM 1691 CG2 VAL A 112 -3.860 5.272 3.204 1.00 10.53 C ATOM 0 H VAL A 112 -6.384 4.630 1.601 1.00 51.12 H new ATOM 0 HA VAL A 112 -6.436 5.550 4.415 1.00 24.51 H new ATOM 0 HB VAL A 112 -4.946 6.703 2.018 1.00 33.23 H new ATOM 0 HG11 VAL A 112 -3.629 7.965 3.711 1.00 21.04 H new ATOM 0 HG12 VAL A 112 -5.359 8.381 3.759 1.00 21.04 H new ATOM 0 HG13 VAL A 112 -4.668 7.304 4.996 1.00 21.04 H new ATOM 0 HG21 VAL A 112 -2.881 5.702 2.993 1.00 10.53 H new ATOM 0 HG22 VAL A 112 -3.873 4.883 4.222 1.00 10.53 H new ATOM 0 HG23 VAL A 112 -4.059 4.462 2.503 1.00 10.53 H new ATOM 1701 N PRO A 113 -8.528 7.030 3.862 1.00 5.42 N ATOM 1702 CA PRO A 113 -9.565 8.076 3.646 1.00 64.22 C ATOM 1703 C PRO A 113 -9.047 9.497 3.980 1.00 21.53 C ATOM 1704 O PRO A 113 -7.895 9.661 4.420 1.00 71.41 O ATOM 1705 CB PRO A 113 -10.694 7.638 4.610 1.00 10.54 C ATOM 1706 CG PRO A 113 -9.974 6.967 5.743 1.00 22.31 C ATOM 1707 CD PRO A 113 -8.792 6.251 5.111 1.00 10.01 C ATOM 0 HA PRO A 113 -9.884 8.148 2.606 1.00 64.22 H new ATOM 0 HB2 PRO A 113 -11.274 8.493 4.958 1.00 10.54 H new ATOM 0 HB3 PRO A 113 -11.391 6.957 4.123 1.00 10.54 H new ATOM 0 HG2 PRO A 113 -9.641 7.696 6.482 1.00 22.31 H new ATOM 0 HG3 PRO A 113 -10.627 6.264 6.260 1.00 22.31 H new ATOM 0 HD2 PRO A 113 -7.925 6.250 5.772 1.00 10.01 H new ATOM 0 HD3 PRO A 113 -9.027 5.210 4.891 1.00 10.01 H new ATOM 1715 N GLU A 114 -9.890 10.520 3.742 1.00 13.41 N ATOM 1716 CA GLU A 114 -9.561 11.912 4.092 1.00 73.52 C ATOM 1717 C GLU A 114 -9.383 12.125 5.614 1.00 33.40 C ATOM 1718 O GLU A 114 -9.919 11.376 6.443 1.00 41.24 O ATOM 1719 CB GLU A 114 -10.634 12.895 3.528 1.00 31.14 C ATOM 1720 CG GLU A 114 -12.004 12.923 4.266 1.00 1.21 C ATOM 1721 CD GLU A 114 -13.018 11.857 3.788 1.00 52.20 C ATOM 1722 OE1 GLU A 114 -12.794 10.646 4.010 1.00 32.21 O ATOM 1723 OE2 GLU A 114 -14.051 12.228 3.179 1.00 35.12 O ATOM 0 H GLU A 114 -10.806 10.406 3.308 1.00 13.41 H new ATOM 0 HA GLU A 114 -8.599 12.127 3.627 1.00 73.52 H new ATOM 0 HB2 GLU A 114 -10.217 13.902 3.544 1.00 31.14 H new ATOM 0 HB3 GLU A 114 -10.814 12.641 2.483 1.00 31.14 H new ATOM 0 HG2 GLU A 114 -11.829 12.786 5.333 1.00 1.21 H new ATOM 0 HG3 GLU A 114 -12.449 13.910 4.140 1.00 1.21 H new ATOM 1730 N ALA A 115 -8.638 13.179 5.957 1.00 61.34 N ATOM 1731 CA ALA A 115 -8.297 13.534 7.346 1.00 55.14 C ATOM 1732 C ALA A 115 -8.743 14.994 7.644 1.00 71.25 C ATOM 1733 O ALA A 115 -8.602 15.881 6.787 1.00 35.51 O ATOM 1734 CB ALA A 115 -6.781 13.324 7.563 1.00 3.04 C ATOM 0 H ALA A 115 -8.246 13.823 5.270 1.00 61.34 H new ATOM 0 HA ALA A 115 -8.828 12.889 8.047 1.00 55.14 H new ATOM 0 HB1 ALA A 115 -6.521 13.585 8.589 1.00 3.04 H new ATOM 0 HB2 ALA A 115 -6.528 12.280 7.379 1.00 3.04 H new ATOM 0 HB3 ALA A 115 -6.223 13.959 6.875 1.00 3.04 H new ATOM 1740 N ASP A 116 -9.257 15.232 8.871 1.00 24.12 N ATOM 1741 CA ASP A 116 -9.876 16.526 9.287 1.00 50.41 C ATOM 1742 C ASP A 116 -8.788 17.597 9.565 1.00 61.12 C ATOM 1743 O ASP A 116 -7.736 17.252 9.983 1.00 45.24 O ATOM 1744 CB ASP A 116 -10.735 16.282 10.556 1.00 63.11 C ATOM 1745 CG ASP A 116 -11.371 17.571 11.105 1.00 23.32 C ATOM 1746 OD1 ASP A 116 -12.306 18.100 10.465 1.00 33.11 O ATOM 1747 OD2 ASP A 116 -10.915 18.079 12.146 1.00 55.02 O ATOM 0 H ASP A 116 -9.258 14.531 9.612 1.00 24.12 H new ATOM 0 HA ASP A 116 -10.507 16.900 8.481 1.00 50.41 H new ATOM 0 HB2 ASP A 116 -11.522 15.565 10.323 1.00 63.11 H new ATOM 0 HB3 ASP A 116 -10.112 15.832 11.329 1.00 63.11 H new ATOM 1752 N VAL A 117 -9.078 18.889 9.365 1.00 12.41 N ATOM 1753 CA VAL A 117 -8.077 20.014 9.465 1.00 72.22 C ATOM 1754 C VAL A 117 -7.010 19.890 10.628 1.00 15.10 C ATOM 1755 O VAL A 117 -5.833 20.220 10.428 1.00 72.13 O ATOM 1756 CB VAL A 117 -8.843 21.378 9.597 1.00 31.30 C ATOM 1757 CG1 VAL A 117 -7.889 22.602 9.690 1.00 21.33 C ATOM 1758 CG2 VAL A 117 -9.855 21.553 8.436 1.00 5.33 C ATOM 0 H VAL A 117 -10.016 19.209 9.126 1.00 12.41 H new ATOM 0 HA VAL A 117 -7.494 19.959 8.546 1.00 72.22 H new ATOM 0 HB VAL A 117 -9.390 21.340 10.539 1.00 31.30 H new ATOM 0 HG11 VAL A 117 -8.477 23.516 9.780 1.00 21.33 H new ATOM 0 HG12 VAL A 117 -7.246 22.497 10.564 1.00 21.33 H new ATOM 0 HG13 VAL A 117 -7.274 22.653 8.792 1.00 21.33 H new ATOM 0 HG21 VAL A 117 -10.375 22.505 8.547 1.00 5.33 H new ATOM 0 HG22 VAL A 117 -9.323 21.539 7.485 1.00 5.33 H new ATOM 0 HG23 VAL A 117 -10.579 20.739 8.459 1.00 5.33 H new ATOM 1768 N THR A 118 -7.424 19.381 11.815 1.00 11.12 N ATOM 1769 CA THR A 118 -6.502 19.183 12.983 1.00 2.53 C ATOM 1770 C THR A 118 -5.610 17.905 12.845 1.00 63.23 C ATOM 1771 O THR A 118 -4.439 17.913 13.235 1.00 64.11 O ATOM 1772 CB THR A 118 -7.284 19.143 14.344 1.00 4.31 C ATOM 1773 OG1 THR A 118 -6.385 18.890 15.439 1.00 72.42 O ATOM 1774 CG2 THR A 118 -8.401 18.090 14.357 1.00 22.23 C ATOM 0 H THR A 118 -8.387 19.098 11.998 1.00 11.12 H new ATOM 0 HA THR A 118 -5.841 20.050 12.982 1.00 2.53 H new ATOM 0 HB THR A 118 -7.747 20.123 14.458 1.00 4.31 H new ATOM 0 HG1 THR A 118 -6.890 18.870 16.279 1.00 72.42 H new ATOM 0 HG21 THR A 118 -8.907 18.108 15.322 1.00 22.23 H new ATOM 0 HG22 THR A 118 -9.119 18.311 13.567 1.00 22.23 H new ATOM 0 HG23 THR A 118 -7.972 17.102 14.191 1.00 22.23 H new ATOM 1782 N HIS A 119 -6.198 16.810 12.329 1.00 51.42 N ATOM 1783 CA HIS A 119 -5.489 15.554 11.954 1.00 31.10 C ATOM 1784 C HIS A 119 -6.063 15.109 10.605 1.00 11.31 C ATOM 1785 O HIS A 119 -6.915 14.228 10.576 1.00 0.44 O ATOM 1786 CB HIS A 119 -5.625 14.464 13.062 1.00 54.22 C ATOM 1787 CG HIS A 119 -6.971 14.359 13.740 1.00 53.23 C ATOM 1788 ND1 HIS A 119 -7.178 14.891 14.988 1.00 13.51 N ATOM 1789 CD2 HIS A 119 -8.106 13.740 13.335 1.00 53.55 C ATOM 1790 CE1 HIS A 119 -8.420 14.589 15.309 1.00 33.41 C ATOM 1791 NE2 HIS A 119 -9.022 13.894 14.337 1.00 41.21 N ATOM 0 H HIS A 119 -7.202 16.764 12.154 1.00 51.42 H new ATOM 0 HA HIS A 119 -4.416 15.721 11.861 1.00 31.10 H new ATOM 0 HB2 HIS A 119 -5.389 13.496 12.620 1.00 54.22 H new ATOM 0 HB3 HIS A 119 -4.872 14.658 13.826 1.00 54.22 H new ATOM 0 HD2 HIS A 119 -8.258 13.223 12.399 1.00 53.55 H new ATOM 0 HE1 HIS A 119 -8.892 14.867 16.239 1.00 33.41 H new ATOM 0 HE2 HIS A 119 -9.981 13.546 14.343 1.00 41.21 H new ATOM 1799 N LYS A 120 -5.696 15.711 9.427 1.00 71.11 N ATOM 1800 CA LYS A 120 -4.363 16.104 8.852 1.00 45.42 C ATOM 1801 C LYS A 120 -3.315 16.970 9.669 1.00 20.25 C ATOM 1802 O LYS A 120 -3.245 16.934 10.875 1.00 72.32 O ATOM 1803 CB LYS A 120 -4.630 16.622 7.398 1.00 52.40 C ATOM 1804 CG LYS A 120 -5.651 17.777 7.271 1.00 32.31 C ATOM 1805 CD LYS A 120 -6.022 18.096 5.799 1.00 34.03 C ATOM 1806 CE LYS A 120 -4.819 18.533 4.941 1.00 43.20 C ATOM 1807 NZ LYS A 120 -4.261 19.846 5.366 1.00 53.34 N ATOM 0 H LYS A 120 -6.431 15.967 8.768 1.00 71.11 H new ATOM 0 HA LYS A 120 -3.774 15.188 8.898 1.00 45.42 H new ATOM 0 HB2 LYS A 120 -3.683 16.951 6.970 1.00 52.40 H new ATOM 0 HB3 LYS A 120 -4.979 15.785 6.793 1.00 52.40 H new ATOM 0 HG2 LYS A 120 -6.556 17.517 7.820 1.00 32.31 H new ATOM 0 HG3 LYS A 120 -5.240 18.672 7.739 1.00 32.31 H new ATOM 0 HD2 LYS A 120 -6.478 17.214 5.349 1.00 34.03 H new ATOM 0 HD3 LYS A 120 -6.773 18.885 5.785 1.00 34.03 H new ATOM 0 HE2 LYS A 120 -4.039 17.774 5.002 1.00 43.20 H new ATOM 0 HE3 LYS A 120 -5.125 18.593 3.897 1.00 43.20 H new ATOM 0 HZ1 LYS A 120 -3.231 19.764 5.484 1.00 53.34 H new ATOM 0 HZ2 LYS A 120 -4.470 20.563 4.642 1.00 53.34 H new ATOM 0 HZ3 LYS A 120 -4.691 20.130 6.269 1.00 53.34 H new ATOM 1821 N PRO A 121 -2.415 17.771 9.011 1.00 72.05 N ATOM 1822 CA PRO A 121 -0.951 17.632 9.207 1.00 54.13 C ATOM 1823 C PRO A 121 -0.482 16.327 9.913 1.00 71.02 C ATOM 1824 O PRO A 121 0.073 16.343 11.020 1.00 40.10 O ATOM 1825 CB PRO A 121 -0.649 18.959 9.938 1.00 2.21 C ATOM 1826 CG PRO A 121 -1.632 19.954 9.301 1.00 51.42 C ATOM 1827 CD PRO A 121 -2.638 19.127 8.473 1.00 45.53 C ATOM 0 HA PRO A 121 -0.383 17.500 8.286 1.00 54.13 H new ATOM 0 HB2 PRO A 121 -0.808 18.870 11.013 1.00 2.21 H new ATOM 0 HB3 PRO A 121 0.386 19.270 9.794 1.00 2.21 H new ATOM 0 HG2 PRO A 121 -2.147 20.532 10.068 1.00 51.42 H new ATOM 0 HG3 PRO A 121 -1.104 20.666 8.667 1.00 51.42 H new ATOM 0 HD2 PRO A 121 -3.665 19.463 8.620 1.00 45.53 H new ATOM 0 HD3 PRO A 121 -2.434 19.183 7.404 1.00 45.53 H new ATOM 1835 N ILE A 122 -0.766 15.188 9.232 1.00 31.41 N ATOM 1836 CA ILE A 122 -0.325 13.849 9.661 1.00 52.11 C ATOM 1837 C ILE A 122 1.173 13.679 9.351 1.00 72.53 C ATOM 1838 O ILE A 122 1.544 13.411 8.216 1.00 3.14 O ATOM 1839 CB ILE A 122 -1.148 12.683 8.963 1.00 40.31 C ATOM 1840 CG1 ILE A 122 -2.679 12.814 9.242 1.00 70.23 C ATOM 1841 CG2 ILE A 122 -0.630 11.284 9.400 1.00 2.33 C ATOM 1842 CD1 ILE A 122 -3.074 12.749 10.710 1.00 60.43 C ATOM 0 H ILE A 122 -1.309 15.179 8.369 1.00 31.41 H new ATOM 0 HA ILE A 122 -0.505 13.775 10.734 1.00 52.11 H new ATOM 0 HB ILE A 122 -0.994 12.781 7.888 1.00 40.31 H new ATOM 0 HG12 ILE A 122 -3.028 13.760 8.829 1.00 70.23 H new ATOM 0 HG13 ILE A 122 -3.200 12.021 8.706 1.00 70.23 H new ATOM 0 HG21 ILE A 122 -1.214 10.509 8.905 1.00 2.33 H new ATOM 0 HG22 ILE A 122 0.419 11.181 9.122 1.00 2.33 H new ATOM 0 HG23 ILE A 122 -0.731 11.180 10.480 1.00 2.33 H new ATOM 0 HD11 ILE A 122 -4.156 12.849 10.801 1.00 60.43 H new ATOM 0 HD12 ILE A 122 -2.762 11.792 11.129 1.00 60.43 H new ATOM 0 HD13 ILE A 122 -2.588 13.559 11.254 1.00 60.43 H new ATOM 1854 N TYR A 123 2.018 13.936 10.348 1.00 52.33 N ATOM 1855 CA TYR A 123 3.456 13.615 10.283 1.00 72.54 C ATOM 1856 C TYR A 123 3.781 12.462 11.257 1.00 31.40 C ATOM 1857 O TYR A 123 3.055 12.233 12.241 1.00 14.43 O ATOM 1858 CB TYR A 123 4.311 14.877 10.609 1.00 23.23 C ATOM 1859 CG TYR A 123 4.119 15.448 12.032 1.00 72.15 C ATOM 1860 CD1 TYR A 123 3.050 16.295 12.334 1.00 0.03 C ATOM 1861 CD2 TYR A 123 4.996 15.121 13.074 1.00 31.42 C ATOM 1862 CE1 TYR A 123 2.868 16.789 13.611 1.00 44.55 C ATOM 1863 CE2 TYR A 123 4.811 15.612 14.349 1.00 32.44 C ATOM 1864 CZ TYR A 123 3.746 16.444 14.612 1.00 23.24 C ATOM 1865 OH TYR A 123 3.562 16.941 15.886 1.00 74.55 O ATOM 0 H TYR A 123 1.733 14.372 11.225 1.00 52.33 H new ATOM 0 HA TYR A 123 3.703 13.294 9.271 1.00 72.54 H new ATOM 0 HB2 TYR A 123 5.364 14.629 10.473 1.00 23.23 H new ATOM 0 HB3 TYR A 123 4.071 15.656 9.886 1.00 23.23 H new ATOM 0 HD1 TYR A 123 2.353 16.568 11.555 1.00 0.03 H new ATOM 0 HD2 TYR A 123 5.835 14.471 12.875 1.00 31.42 H new ATOM 0 HE1 TYR A 123 2.037 17.445 13.823 1.00 44.55 H new ATOM 0 HE2 TYR A 123 5.499 15.345 15.138 1.00 32.44 H new ATOM 0 HH TYR A 123 4.268 16.601 16.475 1.00 74.55 H new ATOM 1875 N LYS A 124 4.857 11.728 10.969 1.00 73.13 N ATOM 1876 CA LYS A 124 5.422 10.742 11.910 1.00 20.44 C ATOM 1877 C LYS A 124 6.181 11.495 13.027 1.00 74.31 C ATOM 1878 O LYS A 124 6.879 12.471 12.735 1.00 64.03 O ATOM 1879 CB LYS A 124 6.349 9.751 11.140 1.00 12.22 C ATOM 1880 CG LYS A 124 6.926 8.592 11.991 1.00 13.30 C ATOM 1881 CD LYS A 124 7.701 7.518 11.159 1.00 62.44 C ATOM 1882 CE LYS A 124 9.133 7.928 10.735 1.00 62.01 C ATOM 1883 NZ LYS A 124 9.172 9.104 9.831 1.00 34.24 N ATOM 0 H LYS A 124 5.363 11.794 10.086 1.00 73.13 H new ATOM 0 HA LYS A 124 4.629 10.154 12.372 1.00 20.44 H new ATOM 0 HB2 LYS A 124 5.788 9.325 10.308 1.00 12.22 H new ATOM 0 HB3 LYS A 124 7.178 10.313 10.711 1.00 12.22 H new ATOM 0 HG2 LYS A 124 7.596 9.006 12.744 1.00 13.30 H new ATOM 0 HG3 LYS A 124 6.110 8.105 12.524 1.00 13.30 H new ATOM 0 HD2 LYS A 124 7.760 6.600 11.744 1.00 62.44 H new ATOM 0 HD3 LYS A 124 7.124 7.289 10.263 1.00 62.44 H new ATOM 0 HE2 LYS A 124 9.718 8.147 11.628 1.00 62.01 H new ATOM 0 HE3 LYS A 124 9.612 7.083 10.239 1.00 62.01 H new ATOM 0 HZ1 LYS A 124 9.926 8.976 9.127 1.00 34.24 H new ATOM 0 HZ2 LYS A 124 8.257 9.199 9.345 1.00 34.24 H new ATOM 0 HZ3 LYS A 124 9.360 9.963 10.387 1.00 34.24 H new