USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1114 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: B 23 MET CE :methyl 144:sc= -1.61 (180deg=-2.45!) USER MOD Set 1.2: B 27 TYR OH : rot -46:sc= 0.117 USER MOD Set 1.3: B 42 HIS : no HD1:sc= -1.91 K(o=-3.4,f=-4.1) USER MOD Set 2.1: A 55 MET CE :methyl -109:sc= -0.149 (180deg=-0.394) USER MOD Set 2.2: B 44 CYS SG : rot 79:sc= 0.0664 USER MOD Set 2.3: B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 44 CYS SG : rot 83:sc= 0.423 USER MOD Set 3.2: A 47 LYS NZ :NH3+ -107:sc= 0.428 (180deg=0) USER MOD Set 3.3: B 55 MET CE :methyl -149:sc= -0.13 (180deg=-0.921) USER MOD Set 4.1: A 23 MET CE :methyl -125:sc= -1.79 (180deg=-5.36!) USER MOD Set 4.2: A 42 HIS : no HD1:sc= -2.21 X(o=-4,f=-4.2!) USER MOD Single : A 3 SER OG : rot 33:sc= 0.00919 USER MOD Single : A 4 LYS NZ :NH3+ 145:sc= 1.21 (180deg=0.352) USER MOD Single : A 9 GLN : amide:sc= -1.31 K(o=-1.3,f=-6!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 25 MET CE :methyl -154:sc= 0 (180deg=-0.83) USER MOD Single : A 26 SER OG : rot -82:sc= 1.29 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.81) USER MOD Single : A 33 ASN : amide:sc= -0.303 K(o=-0.3,f=-4.7!) USER MOD Single : A 40 ASN : amide:sc= 0.9 K(o=0.9,f=-0.0081) USER MOD Single : A 46 ASN : amide:sc= -0.0325 X(o=-0.032,f=-0.39) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 1:sc= 0.528 USER MOD Single : A 57 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= 1.12 (180deg=0.168) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.339) USER MOD Single : B 9 GLN : amide:sc= -1.92 K(o=-1.9,f=-6.2!) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 THR OG1 : rot 73:sc= 0.398 USER MOD Single : B 25 MET CE :methyl -160:sc= -0.0196 (180deg=-0.5) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 28 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 32 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.5) USER MOD Single : B 33 ASN : amide:sc= -0.929 K(o=-0.93,f=-6!) USER MOD Single : B 40 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -18:sc= 0.919 USER MOD Single : B 57 THR OG1 : rot 180:sc= -2.53! USER MOD Single : B 58 SER OG : rot 32:sc= 0.217 USER MOD Single : B 62 LYS NZ :NH3+ -101:sc= 1.26 (180deg=0.292) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 3 -16.687 -10.267 2.146 1.00 0.51 N ATOM 52 CA SER A 3 -17.467 -9.209 1.535 1.00 0.45 C ATOM 53 C SER A 3 -16.609 -7.959 1.388 1.00 0.34 C ATOM 54 O SER A 3 -15.461 -7.951 1.827 1.00 0.30 O ATOM 55 CB SER A 3 -18.720 -8.921 2.365 1.00 0.50 C ATOM 56 OG SER A 3 -19.614 -10.021 2.319 1.00 0.72 O ATOM 0 HA SER A 3 -17.790 -9.528 0.544 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.439 -8.717 3.398 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.216 -8.027 1.987 1.00 0.50 H new ATOM 0 HG SER A 3 -19.103 -10.855 2.253 1.00 0.72 H new ATOM 62 N LYS A 4 -17.143 -6.915 0.775 1.00 0.32 N ATOM 63 CA LYS A 4 -16.356 -5.711 0.516 1.00 0.28 C ATOM 64 C LYS A 4 -15.760 -5.121 1.802 1.00 0.22 C ATOM 65 O LYS A 4 -14.684 -4.525 1.771 1.00 0.22 O ATOM 66 CB LYS A 4 -17.174 -4.653 -0.243 1.00 0.36 C ATOM 67 CG LYS A 4 -18.684 -4.828 -0.154 1.00 0.88 C ATOM 68 CD LYS A 4 -19.426 -3.704 -0.862 1.00 0.88 C ATOM 69 CE LYS A 4 -19.164 -3.718 -2.356 1.00 0.40 C ATOM 70 NZ LYS A 4 -19.645 -4.972 -2.996 1.00 1.69 N ATOM 0 H LYS A 4 -18.108 -6.872 0.449 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.524 -6.014 -0.120 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -16.913 -3.667 0.142 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -16.881 -4.672 -1.293 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -18.966 -5.784 -0.595 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -18.985 -4.859 0.893 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -20.496 -3.801 -0.679 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -19.117 -2.745 -0.447 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -19.657 -2.863 -2.818 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -18.095 -3.606 -2.537 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -20.004 -4.760 -3.949 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -18.860 -5.650 -3.065 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -20.409 -5.384 -2.422 1.00 1.69 H new ATOM 84 N LEU A 5 -16.441 -5.303 2.931 1.00 0.22 N ATOM 85 CA LEU A 5 -15.930 -4.816 4.209 1.00 0.22 C ATOM 86 C LEU A 5 -14.776 -5.668 4.700 1.00 0.22 C ATOM 87 O LEU A 5 -13.808 -5.146 5.244 1.00 0.24 O ATOM 88 CB LEU A 5 -17.039 -4.732 5.254 1.00 0.25 C ATOM 89 CG LEU A 5 -16.607 -4.346 6.668 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.636 -3.421 7.287 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.436 -5.584 7.534 1.00 0.34 C ATOM 0 H LEU A 5 -17.341 -5.780 2.987 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.551 -3.807 4.049 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.778 -4.007 4.912 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.539 -5.699 5.301 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.648 -3.831 6.609 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.322 -3.150 8.295 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.727 -2.520 6.680 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.600 -3.927 7.331 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -16.128 -5.287 8.537 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.382 -6.123 7.589 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.675 -6.231 7.098 1.00 0.34 H new ATOM 103 N ALA A 6 -14.877 -6.973 4.516 1.00 0.23 N ATOM 104 CA ALA A 6 -13.752 -7.845 4.795 1.00 0.24 C ATOM 105 C ALA A 6 -12.528 -7.359 4.034 1.00 0.22 C ATOM 106 O ALA A 6 -11.423 -7.348 4.567 1.00 0.24 O ATOM 107 CB ALA A 6 -14.075 -9.287 4.427 1.00 0.28 C ATOM 0 H ALA A 6 -15.715 -7.446 4.179 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.543 -7.815 5.864 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.215 -9.920 4.646 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -14.933 -9.627 5.007 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.309 -9.348 3.364 1.00 0.28 H new ATOM 113 N LEU A 7 -12.750 -6.910 2.798 1.00 0.20 N ATOM 114 CA LEU A 7 -11.675 -6.383 1.967 1.00 0.19 C ATOM 115 C LEU A 7 -11.156 -5.044 2.492 1.00 0.18 C ATOM 116 O LEU A 7 -9.960 -4.888 2.704 1.00 0.18 O ATOM 117 CB LEU A 7 -12.175 -6.188 0.531 1.00 0.20 C ATOM 118 CG LEU A 7 -12.160 -7.423 -0.382 1.00 0.23 C ATOM 119 CD1 LEU A 7 -12.868 -8.611 0.251 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.809 -7.073 -1.709 1.00 0.25 C ATOM 0 H LEU A 7 -13.668 -6.902 2.353 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.859 -7.105 1.993 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.197 -5.811 0.575 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.569 -5.412 0.063 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.122 -7.715 -0.539 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -12.832 -9.461 -0.430 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.373 -8.874 1.186 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -13.907 -8.350 0.452 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.800 -7.947 -2.360 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.838 -6.758 -1.539 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.255 -6.262 -2.182 1.00 0.25 H new ATOM 132 N ILE A 8 -12.060 -4.086 2.719 1.00 0.17 N ATOM 133 CA ILE A 8 -11.657 -2.762 3.205 1.00 0.17 C ATOM 134 C ILE A 8 -10.955 -2.843 4.561 1.00 0.18 C ATOM 135 O ILE A 8 -10.021 -2.091 4.820 1.00 0.20 O ATOM 136 CB ILE A 8 -12.836 -1.744 3.248 1.00 0.18 C ATOM 137 CG1 ILE A 8 -14.058 -2.315 3.948 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.190 -1.267 1.848 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.145 -1.931 5.408 1.00 0.24 C ATOM 0 H ILE A 8 -13.064 -4.199 2.576 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.941 -2.384 2.475 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.500 -0.887 3.832 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.956 -1.971 3.435 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -14.041 -3.402 3.866 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -14.015 -0.557 1.903 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.323 -0.781 1.399 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.485 -2.120 1.237 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -15.040 -2.371 5.847 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.264 -2.299 5.934 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.194 -0.846 5.496 1.00 0.24 H new ATOM 151 N GLN A 9 -11.388 -3.769 5.411 1.00 0.19 N ATOM 152 CA GLN A 9 -10.765 -3.954 6.716 1.00 0.21 C ATOM 153 C GLN A 9 -9.406 -4.645 6.608 1.00 0.22 C ATOM 154 O GLN A 9 -8.487 -4.329 7.362 1.00 0.24 O ATOM 155 CB GLN A 9 -11.685 -4.745 7.649 1.00 0.22 C ATOM 156 CG GLN A 9 -12.840 -3.923 8.204 1.00 0.29 C ATOM 157 CD GLN A 9 -12.395 -2.880 9.217 1.00 0.90 C ATOM 158 OE1 GLN A 9 -11.278 -2.366 9.160 1.00 1.82 O ATOM 159 NE2 GLN A 9 -13.270 -2.550 10.155 1.00 1.37 N ATOM 0 H GLN A 9 -12.166 -4.401 5.220 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.601 -2.962 7.136 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -12.086 -5.603 7.109 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -11.097 -5.137 8.479 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.353 -3.426 7.381 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.562 -4.592 8.673 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -14.188 -2.994 10.175 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -13.026 -1.852 10.857 1.00 1.37 H new ATOM 168 N GLU A 10 -9.281 -5.608 5.699 1.00 0.21 N ATOM 169 CA GLU A 10 -8.009 -6.305 5.522 1.00 0.23 C ATOM 170 C GLU A 10 -7.003 -5.487 4.724 1.00 0.21 C ATOM 171 O GLU A 10 -5.810 -5.747 4.819 1.00 0.22 O ATOM 172 CB GLU A 10 -8.190 -7.704 4.911 1.00 0.25 C ATOM 173 CG GLU A 10 -8.616 -7.722 3.454 1.00 0.24 C ATOM 174 CD GLU A 10 -8.704 -9.130 2.902 1.00 0.39 C ATOM 175 OE1 GLU A 10 -7.647 -9.705 2.570 1.00 1.15 O ATOM 176 OE2 GLU A 10 -9.822 -9.672 2.797 1.00 1.11 O ATOM 0 H GLU A 10 -10.031 -5.920 5.082 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.599 -6.435 6.524 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.250 -8.249 5.005 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -8.933 -8.246 5.497 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.585 -7.233 3.354 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.905 -7.145 2.862 1.00 0.24 H new ATOM 183 N LEU A 11 -7.474 -4.525 3.927 1.00 0.18 N ATOM 184 CA LEU A 11 -6.572 -3.653 3.161 1.00 0.18 C ATOM 185 C LEU A 11 -5.391 -3.158 4.015 1.00 0.18 C ATOM 186 O LEU A 11 -4.242 -3.256 3.582 1.00 0.17 O ATOM 187 CB LEU A 11 -7.309 -2.444 2.562 1.00 0.19 C ATOM 188 CG LEU A 11 -8.400 -2.760 1.540 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.974 -1.477 0.966 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.862 -3.641 0.426 1.00 0.25 C ATOM 0 H LEU A 11 -8.466 -4.329 3.794 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.185 -4.264 2.346 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.757 -1.877 3.378 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.573 -1.794 2.088 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.195 -3.304 2.050 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.750 -1.719 0.240 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.403 -0.879 1.770 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -8.182 -0.911 0.476 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.658 -3.851 -0.288 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -7.045 -3.128 -0.082 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.496 -4.577 0.847 1.00 0.25 H new ATOM 202 N PRO A 12 -5.638 -2.611 5.232 1.00 0.21 N ATOM 203 CA PRO A 12 -4.560 -2.203 6.134 1.00 0.25 C ATOM 204 C PRO A 12 -3.543 -3.308 6.410 1.00 0.26 C ATOM 205 O PRO A 12 -2.340 -3.064 6.400 1.00 0.28 O ATOM 206 CB PRO A 12 -5.286 -1.816 7.423 1.00 0.30 C ATOM 207 CG PRO A 12 -6.645 -1.417 6.978 1.00 0.27 C ATOM 208 CD PRO A 12 -6.964 -2.294 5.802 1.00 0.22 C ATOM 0 HA PRO A 12 -3.973 -1.396 5.695 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.326 -2.651 8.122 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.779 -0.997 7.934 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.374 -1.554 7.777 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.672 -0.364 6.699 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.495 -3.196 6.107 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.598 -1.780 5.079 1.00 0.22 H new ATOM 216 N ASP A 13 -4.021 -4.520 6.644 1.00 0.26 N ATOM 217 CA ASP A 13 -3.134 -5.635 6.966 1.00 0.29 C ATOM 218 C ASP A 13 -2.391 -6.093 5.717 1.00 0.25 C ATOM 219 O ASP A 13 -1.207 -6.429 5.767 1.00 0.26 O ATOM 220 CB ASP A 13 -3.925 -6.796 7.575 1.00 0.36 C ATOM 221 CG ASP A 13 -3.032 -7.909 8.090 1.00 0.98 C ATOM 222 OD1 ASP A 13 -2.513 -7.787 9.219 1.00 1.40 O ATOM 223 OD2 ASP A 13 -2.860 -8.924 7.378 1.00 1.86 O ATOM 0 H ASP A 13 -5.012 -4.760 6.618 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.405 -5.296 7.702 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.540 -6.421 8.394 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -4.605 -7.200 6.825 1.00 0.36 H new ATOM 228 N ARG A 14 -3.107 -6.104 4.600 1.00 0.22 N ATOM 229 CA ARG A 14 -2.517 -6.385 3.298 1.00 0.22 C ATOM 230 C ARG A 14 -1.375 -5.433 2.998 1.00 0.20 C ATOM 231 O ARG A 14 -0.337 -5.856 2.520 1.00 0.22 O ATOM 232 CB ARG A 14 -3.556 -6.276 2.182 1.00 0.28 C ATOM 233 CG ARG A 14 -4.446 -7.494 2.028 1.00 0.53 C ATOM 234 CD ARG A 14 -5.469 -7.267 0.928 1.00 0.50 C ATOM 235 NE ARG A 14 -6.347 -8.415 0.722 1.00 0.95 N ATOM 236 CZ ARG A 14 -6.758 -8.836 -0.472 1.00 0.72 C ATOM 237 NH1 ARG A 14 -6.271 -8.287 -1.581 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.638 -9.825 -0.553 1.00 1.15 N ATOM 0 H ARG A 14 -4.110 -5.919 4.571 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.137 -7.406 3.337 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.184 -5.405 2.371 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -3.040 -6.098 1.239 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.839 -8.369 1.794 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -4.955 -7.702 2.969 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -6.073 -6.394 1.175 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.949 -7.042 -0.003 1.00 0.50 H new ATOM 0 HE ARG A 14 -6.666 -8.927 1.545 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -5.579 -7.540 -1.519 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -6.589 -8.613 -2.494 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -7.997 -10.259 0.297 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -7.956 -10.151 -1.466 1.00 1.15 H new ATOM 252 N ILE A 15 -1.575 -4.149 3.270 1.00 0.19 N ATOM 253 CA ILE A 15 -0.539 -3.152 3.019 1.00 0.20 C ATOM 254 C ILE A 15 0.548 -3.228 4.083 1.00 0.21 C ATOM 255 O ILE A 15 1.725 -3.005 3.800 1.00 0.21 O ATOM 256 CB ILE A 15 -1.135 -1.729 2.928 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.480 -0.964 1.770 1.00 0.26 C ATOM 258 CG2 ILE A 15 -1.003 -0.962 4.236 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.918 -0.463 2.041 1.00 0.25 C ATOM 0 H ILE A 15 -2.439 -3.774 3.662 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.085 -3.375 2.054 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.203 -1.826 2.734 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.453 -1.614 0.895 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.111 -0.113 1.515 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.436 0.031 4.121 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.529 -1.498 5.027 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.051 -0.870 4.499 1.00 0.25 H new ATOM 0 HD11 ILE A 15 1.292 0.063 1.163 1.00 0.25 H new ATOM 0 HD12 ILE A 15 0.902 0.217 2.893 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.570 -1.307 2.263 1.00 0.25 H new ATOM 271 N GLN A 16 0.154 -3.569 5.299 1.00 0.23 N ATOM 272 CA GLN A 16 1.105 -3.819 6.362 1.00 0.26 C ATOM 273 C GLN A 16 2.016 -4.961 5.942 1.00 0.25 C ATOM 274 O GLN A 16 3.192 -4.995 6.281 1.00 0.29 O ATOM 275 CB GLN A 16 0.366 -4.142 7.663 1.00 0.33 C ATOM 276 CG GLN A 16 1.276 -4.427 8.844 1.00 0.78 C ATOM 277 CD GLN A 16 0.517 -4.498 10.153 1.00 1.16 C ATOM 278 OE1 GLN A 16 0.352 -3.490 10.843 1.00 1.70 O ATOM 279 NE2 GLN A 16 0.039 -5.680 10.499 1.00 1.91 N ATOM 0 H GLN A 16 -0.823 -3.679 5.572 1.00 0.23 H new ATOM 0 HA GLN A 16 1.712 -2.932 6.542 1.00 0.26 H new ATOM 0 HB2 GLN A 16 -0.285 -3.305 7.915 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.276 -5.007 7.497 1.00 0.33 H new ATOM 0 HG2 GLN A 16 1.798 -5.369 8.678 1.00 0.78 H new ATOM 0 HG3 GLN A 16 2.036 -3.649 8.910 1.00 0.78 H new ATOM 0 HE21 GLN A 16 0.198 -6.490 9.899 1.00 1.91 H new ATOM 0 HE22 GLN A 16 -0.489 -5.783 11.366 1.00 1.91 H new ATOM 288 N THR A 17 1.456 -5.868 5.160 1.00 0.23 N ATOM 289 CA THR A 17 2.200 -6.973 4.594 1.00 0.25 C ATOM 290 C THR A 17 2.948 -6.546 3.334 1.00 0.22 C ATOM 291 O THR A 17 4.082 -6.959 3.103 1.00 0.27 O ATOM 292 CB THR A 17 1.247 -8.136 4.264 1.00 0.30 C ATOM 293 OG1 THR A 17 0.546 -8.534 5.449 1.00 0.38 O ATOM 294 CG2 THR A 17 1.992 -9.323 3.680 1.00 0.32 C ATOM 0 H THR A 17 0.470 -5.856 4.901 1.00 0.23 H new ATOM 0 HA THR A 17 2.932 -7.300 5.332 1.00 0.25 H new ATOM 0 HB THR A 17 0.537 -7.788 3.513 1.00 0.30 H new ATOM 0 HG1 THR A 17 -0.154 -7.878 5.651 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.286 -10.124 3.460 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.495 -9.021 2.762 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.731 -9.678 4.398 1.00 0.32 H new ATOM 302 N ALA A 18 2.312 -5.710 2.534 1.00 0.22 N ATOM 303 CA ALA A 18 2.924 -5.177 1.329 1.00 0.23 C ATOM 304 C ALA A 18 4.220 -4.466 1.666 1.00 0.24 C ATOM 305 O ALA A 18 5.136 -4.408 0.857 1.00 0.29 O ATOM 306 CB ALA A 18 1.966 -4.221 0.634 1.00 0.26 C ATOM 0 H ALA A 18 1.360 -5.382 2.699 1.00 0.22 H new ATOM 0 HA ALA A 18 3.146 -6.004 0.655 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.435 -3.828 -0.268 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.053 -4.752 0.366 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.723 -3.397 1.305 1.00 0.26 H new ATOM 312 N VAL A 19 4.282 -3.944 2.878 1.00 0.24 N ATOM 313 CA VAL A 19 5.390 -3.111 3.288 1.00 0.29 C ATOM 314 C VAL A 19 6.242 -3.732 4.416 1.00 0.23 C ATOM 315 O VAL A 19 7.360 -3.274 4.667 1.00 0.27 O ATOM 316 CB VAL A 19 4.839 -1.724 3.688 1.00 0.49 C ATOM 317 CG1 VAL A 19 5.905 -0.826 4.238 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.172 -1.063 2.495 1.00 1.77 C ATOM 0 H VAL A 19 3.572 -4.085 3.597 1.00 0.24 H new ATOM 0 HA VAL A 19 6.073 -3.014 2.444 1.00 0.29 H new ATOM 0 HB VAL A 19 4.106 -1.884 4.478 1.00 0.49 H new ATOM 0 HG11 VAL A 19 5.468 0.136 4.504 1.00 1.09 H new ATOM 0 HG12 VAL A 19 6.344 -1.283 5.125 1.00 1.09 H new ATOM 0 HG13 VAL A 19 6.679 -0.677 3.485 1.00 1.09 H new ATOM 0 HG21 VAL A 19 3.787 -0.086 2.788 1.00 1.77 H new ATOM 0 HG22 VAL A 19 4.900 -0.940 1.693 1.00 1.77 H new ATOM 0 HG23 VAL A 19 3.349 -1.687 2.146 1.00 1.77 H new ATOM 328 N GLU A 20 5.755 -4.797 5.062 1.00 0.22 N ATOM 329 CA GLU A 20 6.496 -5.413 6.180 1.00 0.25 C ATOM 330 C GLU A 20 7.887 -5.871 5.744 1.00 0.26 C ATOM 331 O GLU A 20 8.854 -5.765 6.500 1.00 0.30 O ATOM 332 CB GLU A 20 5.711 -6.580 6.817 1.00 0.28 C ATOM 333 CG GLU A 20 5.241 -7.667 5.851 1.00 0.30 C ATOM 334 CD GLU A 20 6.307 -8.692 5.507 1.00 0.96 C ATOM 335 OE1 GLU A 20 7.204 -8.929 6.339 1.00 1.32 O ATOM 336 OE2 GLU A 20 6.241 -9.276 4.403 1.00 1.93 O ATOM 0 H GLU A 20 4.867 -5.248 4.839 1.00 0.22 H new ATOM 0 HA GLU A 20 6.617 -4.642 6.941 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.338 -7.043 7.579 1.00 0.28 H new ATOM 0 HB3 GLU A 20 4.839 -6.171 7.328 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.385 -8.181 6.288 1.00 0.30 H new ATOM 0 HG3 GLU A 20 4.895 -7.196 4.931 1.00 0.30 H new ATOM 343 N ALA A 21 7.966 -6.356 4.514 1.00 0.28 N ATOM 344 CA ALA A 21 9.229 -6.788 3.935 1.00 0.32 C ATOM 345 C ALA A 21 10.252 -5.657 3.967 1.00 0.30 C ATOM 346 O ALA A 21 11.383 -5.834 4.416 1.00 0.31 O ATOM 347 CB ALA A 21 9.010 -7.269 2.511 1.00 0.40 C ATOM 0 H ALA A 21 7.163 -6.461 3.893 1.00 0.28 H new ATOM 0 HA ALA A 21 9.620 -7.614 4.529 1.00 0.32 H new ATOM 0 HB1 ALA A 21 9.961 -7.590 2.085 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.312 -8.106 2.513 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.600 -6.456 1.911 1.00 0.40 H new ATOM 353 N ALA A 22 9.830 -4.483 3.530 1.00 0.28 N ATOM 354 CA ALA A 22 10.708 -3.326 3.461 1.00 0.29 C ATOM 355 C ALA A 22 11.006 -2.763 4.847 1.00 0.31 C ATOM 356 O ALA A 22 12.081 -2.209 5.086 1.00 0.35 O ATOM 357 CB ALA A 22 10.099 -2.272 2.564 1.00 0.30 C ATOM 0 H ALA A 22 8.876 -4.305 3.215 1.00 0.28 H new ATOM 0 HA ALA A 22 11.660 -3.643 3.035 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.761 -1.408 2.516 1.00 0.30 H new ATOM 0 HB2 ALA A 22 9.963 -2.681 1.563 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.133 -1.967 2.965 1.00 0.30 H new ATOM 363 N MET A 23 10.048 -2.876 5.754 1.00 0.30 N ATOM 364 CA MET A 23 10.256 -2.424 7.124 1.00 0.35 C ATOM 365 C MET A 23 11.263 -3.323 7.837 1.00 0.40 C ATOM 366 O MET A 23 12.134 -2.840 8.559 1.00 0.46 O ATOM 367 CB MET A 23 8.942 -2.392 7.907 1.00 0.33 C ATOM 368 CG MET A 23 7.935 -1.373 7.393 1.00 0.38 C ATOM 369 SD MET A 23 8.616 0.292 7.249 1.00 0.72 S ATOM 370 CE MET A 23 8.843 0.405 5.478 1.00 0.53 C ATOM 0 H MET A 23 9.126 -3.273 5.571 1.00 0.30 H new ATOM 0 HA MET A 23 10.651 -1.409 7.079 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.488 -3.383 7.875 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.160 -2.175 8.953 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.569 -1.694 6.418 1.00 0.38 H new ATOM 0 HG3 MET A 23 7.076 -1.350 8.064 1.00 0.38 H new ATOM 0 HE1 MET A 23 9.879 0.663 5.260 1.00 0.53 H new ATOM 0 HE2 MET A 23 8.603 -0.554 5.019 1.00 0.53 H new ATOM 0 HE3 MET A 23 8.185 1.175 5.075 1.00 0.53 H new ATOM 380 N GLY A 24 11.140 -4.630 7.621 1.00 0.40 N ATOM 381 CA GLY A 24 12.068 -5.578 8.216 1.00 0.48 C ATOM 382 C GLY A 24 13.379 -5.673 7.459 1.00 0.46 C ATOM 383 O GLY A 24 14.279 -6.416 7.854 1.00 0.57 O ATOM 0 H GLY A 24 10.412 -5.051 7.043 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.269 -5.284 9.246 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.602 -6.563 8.251 1.00 0.48 H new ATOM 387 N MET A 25 13.480 -4.929 6.367 1.00 0.44 N ATOM 388 CA MET A 25 14.698 -4.890 5.565 1.00 0.46 C ATOM 389 C MET A 25 15.880 -4.408 6.400 1.00 0.48 C ATOM 390 O MET A 25 15.775 -3.419 7.126 1.00 0.57 O ATOM 391 CB MET A 25 14.511 -3.951 4.369 1.00 0.56 C ATOM 392 CG MET A 25 15.716 -3.893 3.444 1.00 0.53 C ATOM 393 SD MET A 25 16.091 -2.229 2.866 1.00 1.04 S ATOM 394 CE MET A 25 14.663 -1.892 1.849 1.00 0.76 C ATOM 0 H MET A 25 12.727 -4.339 6.013 1.00 0.44 H new ATOM 0 HA MET A 25 14.902 -5.900 5.211 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.641 -4.274 3.798 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.297 -2.947 4.736 1.00 0.56 H new ATOM 0 HG2 MET A 25 16.585 -4.293 3.966 1.00 0.53 H new ATOM 0 HG3 MET A 25 15.536 -4.537 2.583 1.00 0.53 H new ATOM 0 HE1 MET A 25 14.925 -1.160 1.085 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.331 -2.814 1.371 1.00 0.76 H new ATOM 0 HE3 MET A 25 13.859 -1.496 2.470 1.00 0.76 H new ATOM 404 N SER A 26 16.997 -5.109 6.310 1.00 0.54 N ATOM 405 CA SER A 26 18.213 -4.678 6.978 1.00 0.65 C ATOM 406 C SER A 26 18.975 -3.709 6.086 1.00 0.79 C ATOM 407 O SER A 26 19.909 -4.082 5.385 1.00 1.68 O ATOM 408 CB SER A 26 19.082 -5.878 7.331 1.00 0.79 C ATOM 409 OG SER A 26 20.146 -5.515 8.197 1.00 1.67 O ATOM 0 H SER A 26 17.087 -5.977 5.782 1.00 0.54 H new ATOM 0 HA SER A 26 17.946 -4.169 7.904 1.00 0.65 H new ATOM 0 HB2 SER A 26 18.470 -6.644 7.807 1.00 0.79 H new ATOM 0 HB3 SER A 26 19.488 -6.315 6.419 1.00 0.79 H new ATOM 0 HG SER A 26 20.882 -5.139 7.671 1.00 1.67 H new ATOM 415 N TYR A 27 18.551 -2.464 6.107 1.00 0.54 N ATOM 416 CA TYR A 27 19.148 -1.420 5.289 1.00 0.44 C ATOM 417 C TYR A 27 20.382 -0.849 5.973 1.00 0.43 C ATOM 418 O TYR A 27 21.140 -0.099 5.371 1.00 0.40 O ATOM 419 CB TYR A 27 18.117 -0.316 5.038 1.00 0.40 C ATOM 420 CG TYR A 27 17.524 0.227 6.316 1.00 0.38 C ATOM 421 CD1 TYR A 27 16.545 -0.479 6.996 1.00 1.31 C ATOM 422 CD2 TYR A 27 17.970 1.420 6.862 1.00 1.19 C ATOM 423 CE1 TYR A 27 16.024 -0.012 8.179 1.00 1.32 C ATOM 424 CE2 TYR A 27 17.460 1.899 8.045 1.00 1.24 C ATOM 425 CZ TYR A 27 16.484 1.177 8.706 1.00 0.50 C ATOM 426 OH TYR A 27 15.966 1.644 9.889 1.00 0.61 O ATOM 0 H TYR A 27 17.780 -2.142 6.692 1.00 0.54 H new ATOM 0 HA TYR A 27 19.455 -1.846 4.334 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.588 0.497 4.486 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.318 -0.707 4.408 1.00 0.40 H new ATOM 0 HD1 TYR A 27 16.185 -1.413 6.589 1.00 1.31 H new ATOM 0 HD2 TYR A 27 18.734 1.985 6.348 1.00 1.19 H new ATOM 0 HE1 TYR A 27 15.258 -0.573 8.694 1.00 1.32 H new ATOM 0 HE2 TYR A 27 17.819 2.832 8.455 1.00 1.24 H new ATOM 0 HH TYR A 27 16.397 2.492 10.123 1.00 0.61 H new ATOM 436 N GLN A 28 20.586 -1.219 7.236 1.00 0.55 N ATOM 437 CA GLN A 28 21.751 -0.757 7.991 1.00 0.63 C ATOM 438 C GLN A 28 23.037 -1.342 7.417 1.00 0.66 C ATOM 439 O GLN A 28 24.141 -0.915 7.759 1.00 0.77 O ATOM 440 CB GLN A 28 21.621 -1.116 9.468 1.00 0.74 C ATOM 441 CG GLN A 28 21.326 -2.585 9.723 1.00 1.35 C ATOM 442 CD GLN A 28 21.471 -2.964 11.185 1.00 1.68 C ATOM 443 OE1 GLN A 28 21.300 -2.001 12.078 1.00 2.31 O flip ATOM 444 NE2 GLN A 28 21.765 -4.113 11.510 1.00 1.92 N flip ATOM 0 H GLN A 28 19.962 -1.835 7.757 1.00 0.55 H new ATOM 0 HA GLN A 28 21.795 0.329 7.903 1.00 0.63 H new ATOM 0 HB2 GLN A 28 22.545 -0.847 9.979 1.00 0.74 H new ATOM 0 HB3 GLN A 28 20.826 -0.514 9.909 1.00 0.74 H new ATOM 0 HG2 GLN A 28 20.312 -2.811 9.392 1.00 1.35 H new ATOM 0 HG3 GLN A 28 22.001 -3.197 9.124 1.00 1.35 H new ATOM 0 HE21 GLN A 28 21.889 -4.829 10.795 1.00 1.92 H new ATOM 0 HE22 GLN A 28 21.885 -4.350 12.495 1.00 1.92 H new ATOM 453 N ASP A 29 22.871 -2.327 6.543 1.00 0.68 N ATOM 454 CA ASP A 29 23.974 -2.896 5.779 1.00 0.81 C ATOM 455 C ASP A 29 24.588 -1.817 4.889 1.00 0.70 C ATOM 456 O ASP A 29 25.718 -1.939 4.420 1.00 0.86 O ATOM 457 CB ASP A 29 23.479 -4.054 4.894 1.00 0.95 C ATOM 458 CG ASP A 29 22.802 -5.183 5.662 1.00 1.66 C ATOM 459 OD1 ASP A 29 22.364 -4.970 6.815 1.00 2.31 O ATOM 460 OD2 ASP A 29 22.681 -6.291 5.099 1.00 2.34 O ATOM 0 H ASP A 29 21.967 -2.754 6.344 1.00 0.68 H new ATOM 0 HA ASP A 29 24.720 -3.276 6.477 1.00 0.81 H new ATOM 0 HB2 ASP A 29 22.779 -3.660 4.158 1.00 0.95 H new ATOM 0 HB3 ASP A 29 24.326 -4.462 4.342 1.00 0.95 H new ATOM 465 N ALA A 30 23.817 -0.761 4.669 1.00 0.55 N ATOM 466 CA ALA A 30 24.216 0.342 3.813 1.00 0.48 C ATOM 467 C ALA A 30 24.657 1.544 4.653 1.00 0.44 C ATOM 468 O ALA A 30 24.263 1.658 5.813 1.00 0.47 O ATOM 469 CB ALA A 30 23.042 0.719 2.914 1.00 0.47 C ATOM 0 H ALA A 30 22.892 -0.647 5.083 1.00 0.55 H new ATOM 0 HA ALA A 30 25.063 0.037 3.198 1.00 0.48 H new ATOM 0 HB1 ALA A 30 23.331 1.547 2.267 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.762 -0.139 2.303 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.194 1.019 3.530 1.00 0.47 H new ATOM 475 N PRO A 31 25.501 2.440 4.091 1.00 0.45 N ATOM 476 CA PRO A 31 25.873 3.699 4.742 1.00 0.48 C ATOM 477 C PRO A 31 24.677 4.503 5.202 1.00 0.41 C ATOM 478 O PRO A 31 23.571 4.311 4.695 1.00 0.34 O ATOM 479 CB PRO A 31 26.570 4.502 3.660 1.00 0.57 C ATOM 480 CG PRO A 31 27.009 3.523 2.627 1.00 0.56 C ATOM 481 CD PRO A 31 26.184 2.268 2.802 1.00 0.50 C ATOM 0 HA PRO A 31 26.478 3.491 5.624 1.00 0.48 H new ATOM 0 HB2 PRO A 31 25.896 5.243 3.231 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.423 5.045 4.068 1.00 0.57 H new ATOM 0 HG2 PRO A 31 26.871 3.935 1.627 1.00 0.56 H new ATOM 0 HG3 PRO A 31 28.071 3.301 2.737 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.468 2.149 1.989 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.814 1.378 2.804 1.00 0.50 H new ATOM 489 N ASN A 32 24.912 5.433 6.112 1.00 0.45 N ATOM 490 CA ASN A 32 23.836 6.216 6.695 1.00 0.41 C ATOM 491 C ASN A 32 22.981 6.853 5.617 1.00 0.38 C ATOM 492 O ASN A 32 21.788 6.632 5.586 1.00 0.37 O ATOM 493 CB ASN A 32 24.359 7.325 7.602 1.00 0.50 C ATOM 494 CG ASN A 32 25.516 6.904 8.486 1.00 1.48 C ATOM 495 OD1 ASN A 32 25.323 6.494 9.626 1.00 2.40 O ATOM 496 ND2 ASN A 32 26.728 7.003 7.965 1.00 1.87 N ATOM 0 H ASN A 32 25.841 5.665 6.464 1.00 0.45 H new ATOM 0 HA ASN A 32 23.242 5.520 7.287 1.00 0.41 H new ATOM 0 HB2 ASN A 32 24.674 8.167 6.985 1.00 0.50 H new ATOM 0 HB3 ASN A 32 23.544 7.680 8.233 1.00 0.50 H new ATOM 0 HD21 ASN A 32 27.543 6.734 8.515 1.00 1.87 H new ATOM 0 HD22 ASN A 32 26.847 7.349 7.013 1.00 1.87 H new ATOM 503 N ASN A 33 23.592 7.602 4.702 1.00 0.42 N ATOM 504 CA ASN A 33 22.825 8.421 3.759 1.00 0.45 C ATOM 505 C ASN A 33 21.957 7.570 2.834 1.00 0.41 C ATOM 506 O ASN A 33 20.783 7.873 2.635 1.00 0.40 O ATOM 507 CB ASN A 33 23.736 9.330 2.922 1.00 0.58 C ATOM 508 CG ASN A 33 24.701 8.571 2.025 1.00 1.43 C ATOM 509 OD1 ASN A 33 25.253 7.538 2.409 1.00 2.14 O ATOM 510 ND2 ASN A 33 24.891 9.069 0.814 1.00 2.17 N ATOM 0 H ASN A 33 24.604 7.661 4.591 1.00 0.42 H new ATOM 0 HA ASN A 33 22.170 9.047 4.365 1.00 0.45 H new ATOM 0 HB2 ASN A 33 23.117 9.981 2.305 1.00 0.58 H new ATOM 0 HB3 ASN A 33 24.306 9.973 3.592 1.00 0.58 H new ATOM 0 HD21 ASN A 33 25.514 8.595 0.160 1.00 2.17 H new ATOM 0 HD22 ASN A 33 24.415 9.927 0.535 1.00 2.17 H new ATOM 517 N VAL A 34 22.521 6.500 2.290 1.00 0.42 N ATOM 518 CA VAL A 34 21.779 5.653 1.363 1.00 0.46 C ATOM 519 C VAL A 34 20.726 4.843 2.113 1.00 0.39 C ATOM 520 O VAL A 34 19.625 4.621 1.621 1.00 0.39 O ATOM 521 CB VAL A 34 22.690 4.733 0.526 1.00 0.60 C ATOM 522 CG1 VAL A 34 23.610 5.560 -0.360 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.493 3.819 1.413 1.00 0.61 C ATOM 0 H VAL A 34 23.479 6.199 2.471 1.00 0.42 H new ATOM 0 HA VAL A 34 21.283 6.316 0.655 1.00 0.46 H new ATOM 0 HB VAL A 34 22.056 4.115 -0.111 1.00 0.60 H new ATOM 0 HG11 VAL A 34 24.246 4.895 -0.944 1.00 1.39 H new ATOM 0 HG12 VAL A 34 23.012 6.174 -1.033 1.00 1.39 H new ATOM 0 HG13 VAL A 34 24.232 6.204 0.262 1.00 1.39 H new ATOM 0 HG21 VAL A 34 24.127 3.180 0.798 1.00 0.61 H new ATOM 0 HG22 VAL A 34 24.116 4.415 2.080 1.00 0.61 H new ATOM 0 HG23 VAL A 34 22.818 3.199 2.003 1.00 0.61 H new ATOM 533 N ARG A 35 21.068 4.403 3.314 1.00 0.37 N ATOM 534 CA ARG A 35 20.118 3.702 4.153 1.00 0.37 C ATOM 535 C ARG A 35 19.064 4.673 4.664 1.00 0.32 C ATOM 536 O ARG A 35 17.958 4.276 4.960 1.00 0.36 O ATOM 537 CB ARG A 35 20.799 2.926 5.278 1.00 0.42 C ATOM 538 CG ARG A 35 21.229 3.737 6.487 1.00 0.40 C ATOM 539 CD ARG A 35 21.981 2.846 7.459 1.00 0.50 C ATOM 540 NE ARG A 35 22.538 3.565 8.600 1.00 1.03 N ATOM 541 CZ ARG A 35 23.775 3.360 9.050 1.00 1.33 C ATOM 542 NH1 ARG A 35 24.614 2.597 8.356 1.00 1.61 N ATOM 543 NH2 ARG A 35 24.186 3.932 10.170 1.00 2.14 N ATOM 0 H ARG A 35 21.994 4.520 3.726 1.00 0.37 H new ATOM 0 HA ARG A 35 19.616 2.948 3.547 1.00 0.37 H new ATOM 0 HB2 ARG A 35 20.119 2.143 5.615 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.679 2.430 4.868 1.00 0.42 H new ATOM 0 HG2 ARG A 35 21.863 4.567 6.174 1.00 0.40 H new ATOM 0 HG3 ARG A 35 20.356 4.170 6.976 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.308 2.070 7.823 1.00 0.50 H new ATOM 0 HD3 ARG A 35 22.789 2.343 6.927 1.00 0.50 H new ATOM 0 HE ARG A 35 21.955 4.255 9.074 1.00 1.03 H new ATOM 0 HH11 ARG A 35 24.310 2.170 7.481 1.00 1.61 H new ATOM 0 HH12 ARG A 35 25.562 2.439 8.699 1.00 1.61 H new ATOM 0 HH21 ARG A 35 23.554 4.535 10.696 1.00 2.14 H new ATOM 0 HH22 ARG A 35 25.135 3.770 10.507 1.00 2.14 H new ATOM 557 N ARG A 36 19.459 5.925 4.857 1.00 0.29 N ATOM 558 CA ARG A 36 18.527 7.028 5.091 1.00 0.29 C ATOM 559 C ARG A 36 17.557 7.180 3.946 1.00 0.28 C ATOM 560 O ARG A 36 16.426 7.602 4.132 1.00 0.29 O ATOM 561 CB ARG A 36 19.272 8.330 5.305 1.00 0.33 C ATOM 562 CG ARG A 36 19.829 8.426 6.693 1.00 0.45 C ATOM 563 CD ARG A 36 18.789 8.927 7.648 1.00 0.75 C ATOM 564 NE ARG A 36 18.667 10.385 7.596 1.00 1.43 N ATOM 565 CZ ARG A 36 17.564 11.045 7.221 1.00 2.20 C ATOM 566 NH1 ARG A 36 16.442 10.391 6.930 1.00 2.57 N ATOM 567 NH2 ARG A 36 17.581 12.368 7.152 1.00 3.03 N ATOM 0 H ARG A 36 20.439 6.208 4.856 1.00 0.29 H new ATOM 0 HA ARG A 36 17.964 6.789 5.993 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.083 8.409 4.581 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.600 9.169 5.123 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.185 7.448 7.016 1.00 0.45 H new ATOM 0 HG3 ARG A 36 20.689 9.096 6.700 1.00 0.45 H new ATOM 0 HD2 ARG A 36 17.827 8.472 7.411 1.00 0.75 H new ATOM 0 HD3 ARG A 36 19.046 8.619 8.661 1.00 0.75 H new ATOM 0 HE ARG A 36 19.481 10.938 7.865 1.00 1.43 H new ATOM 0 HH11 ARG A 36 16.414 9.373 6.991 1.00 2.57 H new ATOM 0 HH12 ARG A 36 15.610 10.908 6.646 1.00 2.57 H new ATOM 0 HH21 ARG A 36 18.432 12.880 7.384 1.00 3.03 H new ATOM 0 HH22 ARG A 36 16.743 12.875 6.867 1.00 3.03 H new ATOM 581 N ASP A 37 18.021 6.917 2.756 1.00 0.30 N ATOM 582 CA ASP A 37 17.123 6.831 1.611 1.00 0.30 C ATOM 583 C ASP A 37 16.094 5.723 1.852 1.00 0.25 C ATOM 584 O ASP A 37 14.929 5.845 1.474 1.00 0.24 O ATOM 585 CB ASP A 37 17.902 6.603 0.316 1.00 0.37 C ATOM 586 CG ASP A 37 18.671 7.839 -0.105 1.00 0.67 C ATOM 587 OD1 ASP A 37 18.030 8.881 -0.353 1.00 1.19 O ATOM 588 OD2 ASP A 37 19.914 7.785 -0.175 1.00 1.31 O ATOM 0 H ASP A 37 19.006 6.758 2.542 1.00 0.30 H new ATOM 0 HA ASP A 37 16.595 7.778 1.500 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.595 5.772 0.450 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.212 6.317 -0.478 1.00 0.37 H new ATOM 593 N LEU A 38 16.527 4.655 2.521 1.00 0.24 N ATOM 594 CA LEU A 38 15.601 3.639 3.030 1.00 0.22 C ATOM 595 C LEU A 38 14.858 4.157 4.264 1.00 0.23 C ATOM 596 O LEU A 38 13.787 3.671 4.588 1.00 0.24 O ATOM 597 CB LEU A 38 16.308 2.326 3.395 1.00 0.29 C ATOM 598 CG LEU A 38 16.815 1.459 2.240 1.00 0.30 C ATOM 599 CD1 LEU A 38 15.895 1.539 1.046 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.222 1.842 1.861 1.00 0.47 C ATOM 0 H LEU A 38 17.509 4.469 2.724 1.00 0.24 H new ATOM 0 HA LEU A 38 14.898 3.435 2.223 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.157 2.566 4.035 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.620 1.726 3.991 1.00 0.29 H new ATOM 0 HG LEU A 38 16.823 0.424 2.581 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.284 0.912 0.244 1.00 0.64 H new ATOM 0 HD12 LEU A 38 14.901 1.192 1.328 1.00 0.64 H new ATOM 0 HD13 LEU A 38 15.834 2.572 0.702 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.561 1.213 1.038 1.00 0.47 H new ATOM 0 HD22 LEU A 38 18.244 2.887 1.551 1.00 0.47 H new ATOM 0 HD23 LEU A 38 18.880 1.704 2.719 1.00 0.47 H new ATOM 612 N ASP A 39 15.468 5.092 4.986 1.00 0.25 N ATOM 613 CA ASP A 39 14.830 5.738 6.131 1.00 0.28 C ATOM 614 C ASP A 39 13.624 6.539 5.652 1.00 0.28 C ATOM 615 O ASP A 39 12.576 6.559 6.290 1.00 0.32 O ATOM 616 CB ASP A 39 15.815 6.642 6.873 1.00 0.32 C ATOM 617 CG ASP A 39 15.230 7.241 8.134 1.00 0.71 C ATOM 618 OD1 ASP A 39 15.289 6.581 9.193 1.00 1.33 O ATOM 619 OD2 ASP A 39 14.736 8.383 8.082 1.00 1.59 O ATOM 0 H ASP A 39 16.414 5.423 4.796 1.00 0.25 H new ATOM 0 HA ASP A 39 14.499 4.969 6.829 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.705 6.068 7.129 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.134 7.446 6.209 1.00 0.32 H new ATOM 624 N ASN A 40 13.790 7.175 4.496 1.00 0.26 N ATOM 625 CA ASN A 40 12.699 7.858 3.810 1.00 0.26 C ATOM 626 C ASN A 40 11.702 6.838 3.297 1.00 0.23 C ATOM 627 O ASN A 40 10.497 7.053 3.362 1.00 0.25 O ATOM 628 CB ASN A 40 13.232 8.707 2.650 1.00 0.28 C ATOM 629 CG ASN A 40 13.887 9.998 3.109 1.00 0.68 C ATOM 630 OD1 ASN A 40 13.228 11.029 3.234 1.00 1.13 O ATOM 631 ND2 ASN A 40 15.184 9.957 3.362 1.00 1.22 N ATOM 0 H ASN A 40 14.684 7.231 4.009 1.00 0.26 H new ATOM 0 HA ASN A 40 12.203 8.523 4.517 1.00 0.26 H new ATOM 0 HB2 ASN A 40 13.955 8.122 2.081 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.411 8.944 1.973 1.00 0.28 H new ATOM 0 HD21 ASN A 40 15.670 10.799 3.672 1.00 1.22 H new ATOM 0 HD22 ASN A 40 15.699 9.084 3.247 1.00 1.22 H new ATOM 638 N LEU A 41 12.212 5.717 2.794 1.00 0.21 N ATOM 639 CA LEU A 41 11.358 4.597 2.421 1.00 0.21 C ATOM 640 C LEU A 41 10.540 4.162 3.630 1.00 0.22 C ATOM 641 O LEU A 41 9.358 3.883 3.525 1.00 0.24 O ATOM 642 CB LEU A 41 12.187 3.415 1.916 1.00 0.21 C ATOM 643 CG LEU A 41 11.366 2.205 1.464 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.607 2.521 0.185 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.259 0.990 1.276 1.00 1.20 C ATOM 0 H LEU A 41 13.208 5.562 2.636 1.00 0.21 H new ATOM 0 HA LEU A 41 10.697 4.921 1.617 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.803 3.751 1.082 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.867 3.101 2.708 1.00 0.21 H new ATOM 0 HG LEU A 41 10.639 1.974 2.243 1.00 0.58 H new ATOM 0 HD11 LEU A 41 10.029 1.649 -0.120 1.00 0.39 H new ATOM 0 HD12 LEU A 41 9.933 3.360 0.360 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.314 2.782 -0.603 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.655 0.141 0.955 1.00 1.20 H new ATOM 0 HD22 LEU A 41 13.013 1.206 0.519 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.750 0.750 2.219 1.00 1.20 H new ATOM 657 N HIS A 42 11.188 4.132 4.784 1.00 0.27 N ATOM 658 CA HIS A 42 10.540 3.736 6.020 1.00 0.35 C ATOM 659 C HIS A 42 9.479 4.727 6.414 1.00 0.39 C ATOM 660 O HIS A 42 8.324 4.357 6.573 1.00 0.47 O ATOM 661 CB HIS A 42 11.563 3.569 7.145 1.00 0.40 C ATOM 662 CG HIS A 42 12.046 2.166 7.256 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.504 1.599 8.422 1.00 1.01 N ATOM 664 CD2 HIS A 42 12.111 1.205 6.318 1.00 0.94 C ATOM 665 CE1 HIS A 42 12.833 0.340 8.194 1.00 1.19 C ATOM 666 NE2 HIS A 42 12.604 0.076 6.920 1.00 1.15 N ATOM 0 H HIS A 42 12.172 4.380 4.888 1.00 0.27 H new ATOM 0 HA HIS A 42 10.060 2.773 5.850 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.410 4.231 6.966 1.00 0.40 H new ATOM 0 HB3 HIS A 42 11.115 3.874 8.091 1.00 0.40 H new ATOM 0 HD2 HIS A 42 11.827 1.304 5.281 1.00 0.94 H new ATOM 0 HE1 HIS A 42 13.222 -0.354 8.924 1.00 1.19 H new ATOM 0 HE2 HIS A 42 12.767 -0.820 6.460 1.00 1.15 H new ATOM 675 N ALA A 43 9.857 5.986 6.530 1.00 0.42 N ATOM 676 CA ALA A 43 8.916 7.003 6.942 1.00 0.49 C ATOM 677 C ALA A 43 7.755 7.096 5.966 1.00 0.48 C ATOM 678 O ALA A 43 6.603 7.065 6.372 1.00 0.51 O ATOM 679 CB ALA A 43 9.611 8.348 7.061 1.00 0.56 C ATOM 0 H ALA A 43 10.801 6.324 6.346 1.00 0.42 H new ATOM 0 HA ALA A 43 8.520 6.723 7.918 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.890 9.104 7.372 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.409 8.281 7.801 1.00 0.56 H new ATOM 0 HB3 ALA A 43 10.034 8.626 6.096 1.00 0.56 H new ATOM 685 N CYS A 44 8.067 7.189 4.682 1.00 0.44 N ATOM 686 CA CYS A 44 7.048 7.355 3.658 1.00 0.46 C ATOM 687 C CYS A 44 6.226 6.093 3.368 1.00 0.42 C ATOM 688 O CYS A 44 5.087 6.210 2.948 1.00 0.43 O ATOM 689 CB CYS A 44 7.651 7.901 2.377 1.00 0.47 C ATOM 690 SG CYS A 44 8.562 9.445 2.601 1.00 1.61 S ATOM 0 H CYS A 44 9.021 7.152 4.324 1.00 0.44 H new ATOM 0 HA CYS A 44 6.344 8.078 4.070 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.321 7.153 1.954 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.854 8.062 1.651 1.00 0.47 H new ATOM 0 HG CYS A 44 9.766 9.182 3.015 1.00 1.61 H new ATOM 696 N LEU A 45 6.794 4.897 3.537 1.00 0.39 N ATOM 697 CA LEU A 45 6.034 3.664 3.274 1.00 0.38 C ATOM 698 C LEU A 45 5.233 3.257 4.491 1.00 0.36 C ATOM 699 O LEU A 45 4.119 2.749 4.374 1.00 0.35 O ATOM 700 CB LEU A 45 6.933 2.507 2.840 1.00 0.39 C ATOM 701 CG LEU A 45 7.014 2.276 1.331 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.701 1.717 0.818 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.345 3.568 0.602 1.00 1.87 C ATOM 0 H LEU A 45 7.755 4.752 3.847 1.00 0.39 H new ATOM 0 HA LEU A 45 5.356 3.886 2.450 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.939 2.688 3.218 1.00 0.39 H new ATOM 0 HB3 LEU A 45 6.575 1.593 3.313 1.00 0.39 H new ATOM 0 HG LEU A 45 7.811 1.557 1.139 1.00 0.95 H new ATOM 0 HD11 LEU A 45 5.770 1.556 -0.258 1.00 0.69 H new ATOM 0 HD12 LEU A 45 5.490 0.769 1.314 1.00 0.69 H new ATOM 0 HD13 LEU A 45 4.898 2.423 1.029 1.00 0.69 H new ATOM 0 HD21 LEU A 45 7.397 3.378 -0.470 1.00 1.87 H new ATOM 0 HD22 LEU A 45 6.570 4.308 0.802 1.00 1.87 H new ATOM 0 HD23 LEU A 45 8.306 3.946 0.950 1.00 1.87 H new ATOM 715 N ASN A 46 5.810 3.471 5.655 1.00 0.40 N ATOM 716 CA ASN A 46 5.077 3.320 6.891 1.00 0.45 C ATOM 717 C ASN A 46 3.939 4.348 6.902 1.00 0.43 C ATOM 718 O ASN A 46 2.792 4.020 7.215 1.00 0.42 O ATOM 719 CB ASN A 46 6.048 3.466 8.077 1.00 0.53 C ATOM 720 CG ASN A 46 5.373 3.853 9.386 1.00 0.59 C ATOM 721 OD1 ASN A 46 4.276 3.387 9.701 1.00 1.25 O ATOM 722 ND2 ASN A 46 6.023 4.710 10.156 1.00 1.00 N ATOM 0 H ASN A 46 6.784 3.750 5.769 1.00 0.40 H new ATOM 0 HA ASN A 46 4.627 2.331 6.980 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.578 2.524 8.218 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.797 4.219 7.830 1.00 0.53 H new ATOM 0 HD21 ASN A 46 5.618 5.007 11.044 1.00 1.00 H new ATOM 0 HD22 ASN A 46 6.929 5.074 9.862 1.00 1.00 H new ATOM 729 N LYS A 47 4.268 5.585 6.529 1.00 0.49 N ATOM 730 CA LYS A 47 3.265 6.605 6.205 1.00 0.47 C ATOM 731 C LYS A 47 2.273 6.109 5.154 1.00 0.42 C ATOM 732 O LYS A 47 1.078 6.303 5.302 1.00 0.43 O ATOM 733 CB LYS A 47 3.959 7.869 5.684 1.00 0.53 C ATOM 734 CG LYS A 47 3.026 8.903 5.077 1.00 1.02 C ATOM 735 CD LYS A 47 3.781 10.129 4.592 1.00 1.07 C ATOM 736 CE LYS A 47 4.639 9.810 3.380 1.00 1.30 C ATOM 737 NZ LYS A 47 5.451 10.976 2.952 1.00 2.15 N ATOM 0 H LYS A 47 5.231 5.909 6.443 1.00 0.49 H new ATOM 0 HA LYS A 47 2.713 6.827 7.119 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.506 8.331 6.506 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.695 7.580 4.934 1.00 0.53 H new ATOM 0 HG2 LYS A 47 2.483 8.458 4.244 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.284 9.202 5.817 1.00 1.02 H new ATOM 0 HD2 LYS A 47 3.072 10.918 4.340 1.00 1.07 H new ATOM 0 HD3 LYS A 47 4.411 10.511 5.395 1.00 1.07 H new ATOM 0 HE2 LYS A 47 5.299 8.974 3.613 1.00 1.30 H new ATOM 0 HE3 LYS A 47 4.000 9.492 2.557 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 5.057 11.370 2.074 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 5.434 11.703 3.696 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 6.432 10.674 2.786 1.00 2.15 H new ATOM 751 N ALA A 48 2.777 5.483 4.096 1.00 0.40 N ATOM 752 CA ALA A 48 1.937 5.022 2.990 1.00 0.38 C ATOM 753 C ALA A 48 0.922 3.999 3.465 1.00 0.36 C ATOM 754 O ALA A 48 -0.236 4.022 3.050 1.00 0.36 O ATOM 755 CB ALA A 48 2.788 4.444 1.869 1.00 0.41 C ATOM 0 H ALA A 48 3.770 5.281 3.978 1.00 0.40 H new ATOM 0 HA ALA A 48 1.395 5.885 2.602 1.00 0.38 H new ATOM 0 HB1 ALA A 48 2.142 4.108 1.058 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.469 5.210 1.497 1.00 0.41 H new ATOM 0 HB3 ALA A 48 3.364 3.600 2.248 1.00 0.41 H new ATOM 761 N LYS A 49 1.350 3.114 4.353 1.00 0.37 N ATOM 762 CA LYS A 49 0.438 2.157 4.948 1.00 0.41 C ATOM 763 C LYS A 49 -0.659 2.901 5.676 1.00 0.46 C ATOM 764 O LYS A 49 -1.833 2.565 5.581 1.00 0.56 O ATOM 765 CB LYS A 49 1.161 1.255 5.949 1.00 0.41 C ATOM 766 CG LYS A 49 2.118 0.264 5.322 1.00 0.39 C ATOM 767 CD LYS A 49 2.631 -0.718 6.355 1.00 0.42 C ATOM 768 CE LYS A 49 3.633 -0.074 7.301 1.00 0.45 C ATOM 769 NZ LYS A 49 3.899 -0.923 8.493 1.00 1.03 N ATOM 0 H LYS A 49 2.316 3.041 4.673 1.00 0.37 H new ATOM 0 HA LYS A 49 0.024 1.539 4.151 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.713 1.881 6.650 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.418 0.707 6.528 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.615 -0.276 4.519 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.956 0.796 4.872 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.792 -1.113 6.928 1.00 0.42 H new ATOM 0 HD3 LYS A 49 3.099 -1.564 5.851 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.567 0.108 6.770 1.00 0.45 H new ATOM 0 HE3 LYS A 49 3.255 0.896 7.624 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.587 -0.447 9.111 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 3.012 -1.077 9.015 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.284 -1.840 8.187 1.00 1.03 H new ATOM 783 N LEU A 50 -0.244 3.918 6.403 1.00 0.44 N ATOM 784 CA LEU A 50 -1.133 4.669 7.257 1.00 0.51 C ATOM 785 C LEU A 50 -2.040 5.633 6.495 1.00 0.44 C ATOM 786 O LEU A 50 -3.144 5.913 6.947 1.00 0.43 O ATOM 787 CB LEU A 50 -0.330 5.379 8.330 1.00 0.62 C ATOM 788 CG LEU A 50 -0.811 5.097 9.746 1.00 1.02 C ATOM 789 CD1 LEU A 50 -0.863 3.601 10.007 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.098 5.759 10.744 1.00 0.75 C ATOM 0 H LEU A 50 0.722 4.246 6.416 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.811 3.957 7.728 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.715 5.081 8.245 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.371 6.453 8.150 1.00 0.62 H new ATOM 0 HG LEU A 50 -1.816 5.504 9.854 1.00 1.02 H new ATOM 0 HD11 LEU A 50 -1.209 3.421 11.025 1.00 2.08 H new ATOM 0 HD12 LEU A 50 -1.549 3.132 9.302 1.00 2.08 H new ATOM 0 HD13 LEU A 50 0.132 3.175 9.882 1.00 2.08 H new ATOM 0 HD21 LEU A 50 -0.256 5.550 11.753 1.00 0.75 H new ATOM 0 HD22 LEU A 50 1.110 5.372 10.627 1.00 0.75 H new ATOM 0 HD23 LEU A 50 0.100 6.836 10.576 1.00 0.75 H new ATOM 802 N THR A 51 -1.588 6.162 5.365 1.00 0.41 N ATOM 803 CA THR A 51 -2.461 6.967 4.523 1.00 0.40 C ATOM 804 C THR A 51 -3.616 6.110 4.052 1.00 0.35 C ATOM 805 O THR A 51 -4.757 6.561 3.954 1.00 0.34 O ATOM 806 CB THR A 51 -1.722 7.567 3.309 1.00 0.43 C ATOM 807 OG1 THR A 51 -0.921 6.579 2.652 1.00 0.48 O ATOM 808 CG2 THR A 51 -0.844 8.717 3.745 1.00 0.54 C ATOM 0 H THR A 51 -0.637 6.050 5.015 1.00 0.41 H new ATOM 0 HA THR A 51 -2.823 7.805 5.119 1.00 0.40 H new ATOM 0 HB THR A 51 -2.474 7.929 2.608 1.00 0.43 H new ATOM 0 HG1 THR A 51 -1.024 5.718 3.109 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.329 9.130 2.878 1.00 0.54 H new ATOM 0 HG22 THR A 51 -1.459 9.491 4.205 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.110 8.361 4.467 1.00 0.54 H new ATOM 816 N VAL A 52 -3.299 4.852 3.797 1.00 0.34 N ATOM 817 CA VAL A 52 -4.299 3.856 3.494 1.00 0.31 C ATOM 818 C VAL A 52 -5.062 3.515 4.770 1.00 0.27 C ATOM 819 O VAL A 52 -6.266 3.253 4.741 1.00 0.28 O ATOM 820 CB VAL A 52 -3.632 2.599 2.883 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.650 1.549 2.497 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.794 2.982 1.674 1.00 0.43 C ATOM 0 H VAL A 52 -2.342 4.498 3.795 1.00 0.34 H new ATOM 0 HA VAL A 52 -5.002 4.246 2.758 1.00 0.31 H new ATOM 0 HB VAL A 52 -2.987 2.168 3.649 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -4.139 0.685 2.073 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -5.209 1.242 3.381 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.337 1.962 1.759 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.331 2.089 1.255 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.431 3.448 0.922 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -2.018 3.685 1.977 1.00 0.43 H new ATOM 832 N GLY A 53 -4.345 3.561 5.891 1.00 0.27 N ATOM 833 CA GLY A 53 -4.953 3.374 7.189 1.00 0.30 C ATOM 834 C GLY A 53 -6.079 4.356 7.413 1.00 0.27 C ATOM 835 O GLY A 53 -7.174 3.980 7.830 1.00 0.27 O ATOM 0 H GLY A 53 -3.339 3.727 5.917 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.333 2.356 7.272 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.200 3.497 7.967 1.00 0.30 H new ATOM 839 N ARG A 54 -5.819 5.616 7.100 1.00 0.27 N ATOM 840 CA ARG A 54 -6.835 6.644 7.216 1.00 0.27 C ATOM 841 C ARG A 54 -7.833 6.623 6.083 1.00 0.24 C ATOM 842 O ARG A 54 -8.950 7.086 6.251 1.00 0.25 O ATOM 843 CB ARG A 54 -6.243 8.036 7.376 1.00 0.38 C ATOM 844 CG ARG A 54 -5.735 8.292 8.781 1.00 0.89 C ATOM 845 CD ARG A 54 -4.255 7.989 8.919 1.00 1.02 C ATOM 846 NE ARG A 54 -3.444 8.803 8.011 1.00 1.79 N ATOM 847 CZ ARG A 54 -2.139 9.018 8.161 1.00 2.26 C ATOM 848 NH1 ARG A 54 -1.493 8.525 9.211 1.00 2.18 N ATOM 849 NH2 ARG A 54 -1.484 9.744 7.264 1.00 3.18 N ATOM 0 H ARG A 54 -4.915 5.948 6.765 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.376 6.402 8.131 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.424 8.163 6.668 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.999 8.780 7.125 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -5.917 9.333 9.047 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -6.297 7.679 9.486 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.942 8.170 9.947 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -4.080 6.933 8.714 1.00 1.02 H new ATOM 0 HE ARG A 54 -3.909 9.233 7.212 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -1.997 7.978 9.909 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -0.493 8.694 9.320 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -1.981 10.135 6.463 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -0.484 9.911 7.375 1.00 3.18 H new ATOM 863 N MET A 55 -7.445 6.117 4.927 1.00 0.23 N ATOM 864 CA MET A 55 -8.382 6.040 3.820 1.00 0.24 C ATOM 865 C MET A 55 -9.463 5.020 4.144 1.00 0.21 C ATOM 866 O MET A 55 -10.645 5.240 3.883 1.00 0.23 O ATOM 867 CB MET A 55 -7.685 5.679 2.511 1.00 0.28 C ATOM 868 CG MET A 55 -8.561 5.951 1.304 1.00 0.34 C ATOM 869 SD MET A 55 -8.966 7.701 1.152 1.00 0.68 S ATOM 870 CE MET A 55 -10.506 7.615 0.246 1.00 0.41 C ATOM 0 H MET A 55 -6.510 5.760 4.731 1.00 0.23 H new ATOM 0 HA MET A 55 -8.832 7.023 3.685 1.00 0.24 H new ATOM 0 HB2 MET A 55 -6.761 6.250 2.424 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.408 4.625 2.527 1.00 0.28 H new ATOM 0 HG2 MET A 55 -8.050 5.616 0.401 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.480 5.371 1.384 1.00 0.34 H new ATOM 0 HE1 MET A 55 -10.350 7.972 -0.772 1.00 0.41 H new ATOM 0 HE2 MET A 55 -10.855 6.583 0.219 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.253 8.238 0.738 1.00 0.41 H new ATOM 880 N VAL A 56 -9.046 3.911 4.742 1.00 0.20 N ATOM 881 CA VAL A 56 -9.984 2.920 5.243 1.00 0.22 C ATOM 882 C VAL A 56 -10.801 3.514 6.384 1.00 0.21 C ATOM 883 O VAL A 56 -12.011 3.324 6.457 1.00 0.25 O ATOM 884 CB VAL A 56 -9.261 1.646 5.726 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.239 0.664 6.357 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.518 0.992 4.570 1.00 0.26 C ATOM 0 H VAL A 56 -8.064 3.677 4.891 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.645 2.639 4.423 1.00 0.22 H new ATOM 0 HB VAL A 56 -8.539 1.934 6.490 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -9.700 -0.224 6.688 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -10.725 1.133 7.212 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -10.993 0.379 5.623 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.012 0.094 4.924 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.227 0.724 3.787 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -7.782 1.689 4.170 1.00 0.26 H new ATOM 896 N THR A 57 -10.132 4.267 7.254 1.00 0.19 N ATOM 897 CA THR A 57 -10.804 4.930 8.363 1.00 0.22 C ATOM 898 C THR A 57 -11.842 5.932 7.844 1.00 0.21 C ATOM 899 O THR A 57 -12.901 6.103 8.443 1.00 0.25 O ATOM 900 CB THR A 57 -9.798 5.652 9.279 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.803 4.724 9.737 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.494 6.275 10.482 1.00 0.33 C ATOM 0 H THR A 57 -9.126 4.432 7.211 1.00 0.19 H new ATOM 0 HA THR A 57 -11.309 4.160 8.946 1.00 0.22 H new ATOM 0 HB THR A 57 -9.328 6.447 8.700 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.182 4.524 9.006 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.757 6.777 11.109 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.233 6.999 10.140 1.00 0.33 H new ATOM 0 HG23 THR A 57 -10.991 5.495 11.059 1.00 0.33 H new ATOM 910 N SER A 58 -11.528 6.580 6.723 1.00 0.24 N ATOM 911 CA SER A 58 -12.447 7.507 6.075 1.00 0.28 C ATOM 912 C SER A 58 -13.754 6.805 5.728 1.00 0.26 C ATOM 913 O SER A 58 -14.831 7.292 6.048 1.00 0.32 O ATOM 914 CB SER A 58 -11.810 8.089 4.809 1.00 0.34 C ATOM 915 OG SER A 58 -12.665 9.032 4.188 1.00 1.20 O ATOM 0 H SER A 58 -10.634 6.476 6.243 1.00 0.24 H new ATOM 0 HA SER A 58 -12.661 8.321 6.767 1.00 0.28 H new ATOM 0 HB2 SER A 58 -10.863 8.565 5.062 1.00 0.34 H new ATOM 0 HB3 SER A 58 -11.585 7.284 4.110 1.00 0.34 H new ATOM 0 HG SER A 58 -12.231 9.387 3.384 1.00 1.20 H new ATOM 921 N LEU A 59 -13.647 5.642 5.107 1.00 0.23 N ATOM 922 CA LEU A 59 -14.822 4.856 4.744 1.00 0.23 C ATOM 923 C LEU A 59 -15.504 4.315 5.998 1.00 0.23 C ATOM 924 O LEU A 59 -16.722 4.157 6.047 1.00 0.30 O ATOM 925 CB LEU A 59 -14.420 3.695 3.821 1.00 0.29 C ATOM 926 CG LEU A 59 -14.247 4.030 2.330 1.00 0.34 C ATOM 927 CD1 LEU A 59 -13.389 5.270 2.120 1.00 1.39 C ATOM 928 CD2 LEU A 59 -13.626 2.846 1.611 1.00 1.45 C ATOM 0 H LEU A 59 -12.758 5.218 4.842 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.522 5.501 4.214 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.482 3.277 4.187 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.174 2.913 3.909 1.00 0.29 H new ATOM 0 HG LEU A 59 -15.234 4.240 1.919 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -13.293 5.470 1.053 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -13.858 6.124 2.608 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -12.400 5.105 2.548 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -13.504 3.085 0.555 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -12.652 2.625 2.048 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -14.275 1.977 1.714 1.00 1.45 H new ATOM 940 N LEU A 60 -14.695 4.058 7.013 1.00 0.20 N ATOM 941 CA LEU A 60 -15.160 3.443 8.248 1.00 0.23 C ATOM 942 C LEU A 60 -15.902 4.418 9.164 1.00 0.28 C ATOM 943 O LEU A 60 -16.567 3.989 10.108 1.00 0.33 O ATOM 944 CB LEU A 60 -13.967 2.840 8.998 1.00 0.24 C ATOM 945 CG LEU A 60 -13.623 1.394 8.640 1.00 0.58 C ATOM 946 CD1 LEU A 60 -12.417 0.924 9.439 1.00 1.43 C ATOM 947 CD2 LEU A 60 -14.816 0.480 8.887 1.00 0.59 C ATOM 0 H LEU A 60 -13.697 4.269 7.005 1.00 0.20 H new ATOM 0 HA LEU A 60 -15.873 2.667 7.969 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.091 3.460 8.809 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.170 2.892 10.068 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.375 1.352 7.579 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -12.184 -0.107 9.173 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -11.561 1.559 9.213 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -12.641 0.983 10.504 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -14.550 -0.544 8.626 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.097 0.525 9.939 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -15.656 0.804 8.273 1.00 0.59 H new ATOM 959 N GLU A 61 -15.805 5.716 8.905 1.00 0.32 N ATOM 960 CA GLU A 61 -16.423 6.692 9.798 1.00 0.42 C ATOM 961 C GLU A 61 -17.763 7.195 9.260 1.00 0.45 C ATOM 962 O GLU A 61 -18.202 8.298 9.589 1.00 0.59 O ATOM 963 CB GLU A 61 -15.459 7.850 10.107 1.00 0.56 C ATOM 964 CG GLU A 61 -14.879 8.559 8.889 1.00 0.77 C ATOM 965 CD GLU A 61 -15.736 9.706 8.395 1.00 1.74 C ATOM 966 OE1 GLU A 61 -16.068 10.595 9.205 1.00 2.36 O ATOM 967 OE2 GLU A 61 -16.044 9.752 7.188 1.00 2.46 O ATOM 0 H GLU A 61 -15.316 6.113 8.103 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.637 6.183 10.738 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -15.984 8.584 10.718 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -14.636 7.465 10.708 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -13.887 8.937 9.136 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -14.753 7.836 8.083 1.00 0.77 H new ATOM 974 N LYS A 62 -18.431 6.368 8.465 1.00 0.46 N ATOM 975 CA LYS A 62 -19.767 6.686 7.976 1.00 0.53 C ATOM 976 C LYS A 62 -20.571 5.414 7.742 1.00 0.43 C ATOM 977 O LYS A 62 -20.137 4.499 7.043 1.00 0.41 O ATOM 978 CB LYS A 62 -19.713 7.551 6.721 1.00 0.70 C ATOM 979 CG LYS A 62 -18.651 7.133 5.732 1.00 0.62 C ATOM 980 CD LYS A 62 -18.267 8.303 4.857 1.00 0.76 C ATOM 981 CE LYS A 62 -16.918 8.086 4.202 1.00 0.72 C ATOM 982 NZ LYS A 62 -16.462 9.289 3.466 1.00 0.97 N ATOM 0 H LYS A 62 -18.068 5.470 8.145 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.275 7.269 8.744 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -20.685 7.521 6.229 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -19.536 8.586 7.013 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.774 6.763 6.263 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -19.020 6.313 5.115 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -19.026 8.449 4.089 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -18.240 9.213 5.456 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -16.182 7.825 4.963 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -16.979 7.242 3.515 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -16.380 9.066 2.453 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -17.150 10.058 3.597 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -15.535 9.588 3.830 1.00 0.97 H new ATOM 996 N PRO A 63 -21.775 5.373 8.324 1.00 0.46 N ATOM 997 CA PRO A 63 -22.559 4.144 8.463 1.00 0.48 C ATOM 998 C PRO A 63 -23.053 3.577 7.139 1.00 0.42 C ATOM 999 O PRO A 63 -23.045 2.363 6.948 1.00 0.42 O ATOM 1000 CB PRO A 63 -23.738 4.553 9.347 1.00 0.65 C ATOM 1001 CG PRO A 63 -23.838 6.037 9.230 1.00 0.69 C ATOM 1002 CD PRO A 63 -22.468 6.547 8.877 1.00 0.59 C ATOM 0 HA PRO A 63 -21.949 3.344 8.884 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.659 4.072 9.018 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -23.574 4.252 10.382 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -24.562 6.315 8.464 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -24.182 6.475 10.167 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -22.520 7.357 8.150 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.951 6.938 9.753 1.00 0.59 H new ATOM 1010 N SER A 64 -23.474 4.450 6.229 1.00 0.43 N ATOM 1011 CA SER A 64 -23.956 4.014 4.925 1.00 0.46 C ATOM 1012 C SER A 64 -22.849 3.279 4.173 1.00 0.42 C ATOM 1013 O SER A 64 -23.053 2.183 3.654 1.00 0.43 O ATOM 1014 CB SER A 64 -24.433 5.216 4.112 1.00 0.57 C ATOM 1015 OG SER A 64 -25.329 6.018 4.864 1.00 1.46 O ATOM 0 H SER A 64 -23.491 5.460 6.371 1.00 0.43 H new ATOM 0 HA SER A 64 -24.794 3.332 5.071 1.00 0.46 H new ATOM 0 HB2 SER A 64 -23.575 5.814 3.804 1.00 0.57 H new ATOM 0 HB3 SER A 64 -24.924 4.872 3.202 1.00 0.57 H new ATOM 0 HG SER A 64 -25.618 6.782 4.322 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.675 3.897 4.138 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.508 3.311 3.496 1.00 0.39 C ATOM 1023 C VAL A 65 -20.140 1.975 4.133 1.00 0.34 C ATOM 1024 O VAL A 65 -19.996 0.969 3.436 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.309 4.270 3.588 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.042 3.628 3.054 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.614 5.553 2.842 1.00 0.47 C ATOM 0 H VAL A 65 -21.507 4.814 4.552 1.00 0.40 H new ATOM 0 HA VAL A 65 -20.757 3.140 2.449 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.139 4.502 4.639 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.215 4.333 3.134 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -17.814 2.734 3.635 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.185 3.354 2.009 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -18.760 6.227 2.912 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -19.812 5.326 1.794 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.490 6.030 3.282 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.018 1.966 5.455 1.00 0.34 N ATOM 1038 CA VAL A 66 -19.658 0.754 6.179 1.00 0.31 C ATOM 1039 C VAL A 66 -20.660 -0.365 5.911 1.00 0.32 C ATOM 1040 O VAL A 66 -20.270 -1.479 5.564 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.563 1.002 7.700 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.263 -0.289 8.447 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -18.502 2.043 8.003 1.00 0.34 C ATOM 0 H VAL A 66 -20.163 2.784 6.047 1.00 0.34 H new ATOM 0 HA VAL A 66 -18.676 0.452 5.815 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.529 1.375 8.040 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.202 -0.085 9.516 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.058 -1.011 8.260 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.314 -0.698 8.100 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.449 2.205 9.080 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -17.535 1.694 7.640 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -18.759 2.979 7.507 1.00 0.34 H new ATOM 1053 N ALA A 67 -21.948 -0.049 6.035 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.003 -1.050 5.906 1.00 0.36 C ATOM 1055 C ALA A 67 -22.977 -1.732 4.548 1.00 0.32 C ATOM 1056 O ALA A 67 -23.192 -2.933 4.452 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.370 -0.435 6.140 1.00 0.41 C ATOM 0 H ALA A 67 -22.286 0.895 6.225 1.00 0.34 H new ATOM 0 HA ALA A 67 -22.814 -1.804 6.670 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.137 -1.203 6.038 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.412 -0.012 7.144 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.545 0.352 5.407 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.718 -0.970 3.497 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.665 -1.533 2.156 1.00 0.27 C ATOM 1065 C TYR A 68 -21.489 -2.477 1.993 1.00 0.23 C ATOM 1066 O TYR A 68 -21.596 -3.498 1.317 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.680 -0.438 1.096 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.098 -0.049 0.758 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.818 -0.773 -0.183 1.00 1.46 C ATOM 1070 CD2 TYR A 68 -24.735 0.993 1.415 1.00 1.45 C ATOM 1071 CE1 TYR A 68 -26.132 -0.459 -0.466 1.00 1.88 C ATOM 1072 CE2 TYR A 68 -26.051 1.306 1.145 1.00 1.86 C ATOM 1073 CZ TYR A 68 -26.743 0.579 0.203 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.056 0.882 -0.062 1.00 2.35 O ATOM 0 H TYR A 68 -22.542 0.034 3.545 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.565 -2.130 2.010 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.134 0.433 1.457 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.168 -0.785 0.199 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.343 -1.593 -0.701 1.00 1.46 H new ATOM 0 HD2 TYR A 68 -24.192 1.569 2.150 1.00 1.45 H new ATOM 0 HE1 TYR A 68 -26.678 -1.024 -1.207 1.00 1.88 H new ATOM 0 HE2 TYR A 68 -26.535 2.116 1.669 1.00 1.86 H new ATOM 0 HH TYR A 68 -28.336 1.639 0.494 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.379 -2.140 2.621 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.206 -2.999 2.614 1.00 0.19 C ATOM 1086 C LEU A 69 -19.515 -4.354 3.257 1.00 0.24 C ATOM 1087 O LEU A 69 -19.170 -5.406 2.713 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.060 -2.308 3.348 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.660 -0.964 2.760 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.760 -0.196 3.712 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.980 -1.155 1.415 1.00 0.29 C ATOM 0 H LEU A 69 -20.263 -1.273 3.146 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.912 -3.180 1.580 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.346 -2.165 4.390 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.191 -2.967 3.343 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.566 -0.377 2.611 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.490 0.761 3.265 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.287 -0.022 4.650 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -15.856 -0.774 3.905 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.700 -0.184 1.008 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -16.087 -1.766 1.543 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.665 -1.653 0.728 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.161 -4.331 4.414 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.480 -5.568 5.125 1.00 0.43 C ATOM 1105 C GLU A 70 -21.682 -6.261 4.524 1.00 0.49 C ATOM 1106 O GLU A 70 -21.791 -7.489 4.545 1.00 0.60 O ATOM 1107 CB GLU A 70 -20.721 -5.305 6.607 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.193 -3.899 6.922 1.00 0.49 C ATOM 1109 CD GLU A 70 -21.405 -3.665 8.405 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.057 -4.556 9.210 1.00 1.25 O ATOM 1111 OE2 GLU A 70 -21.916 -2.589 8.779 1.00 1.26 O ATOM 0 H GLU A 70 -20.474 -3.479 4.880 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.617 -6.226 5.021 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.462 -6.015 6.974 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -19.797 -5.497 7.153 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.461 -3.183 6.548 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.126 -3.707 6.392 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.577 -5.468 3.990 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.757 -5.997 3.368 1.00 0.57 C ATOM 1120 C GLY A 71 -24.961 -5.911 4.275 1.00 0.69 C ATOM 1121 O GLY A 71 -25.793 -6.818 4.310 1.00 0.92 O ATOM 0 H GLY A 71 -22.507 -4.451 3.975 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -23.957 -5.450 2.447 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.585 -7.037 3.091 1.00 0.57 H new ATOM 1185 N PRO B 2 15.762 -13.796 -1.740 1.00 0.76 N ATOM 1186 CA PRO B 2 15.411 -12.461 -2.236 1.00 0.64 C ATOM 1187 C PRO B 2 16.233 -11.354 -1.592 1.00 0.58 C ATOM 1188 O PRO B 2 16.302 -11.244 -0.368 1.00 0.64 O ATOM 1189 CB PRO B 2 13.929 -12.306 -1.864 1.00 0.69 C ATOM 1190 CG PRO B 2 13.655 -13.384 -0.869 1.00 0.80 C ATOM 1191 CD PRO B 2 14.580 -14.506 -1.228 1.00 0.84 C ATOM 0 HA PRO B 2 15.608 -12.374 -3.304 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.731 -11.321 -1.441 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.291 -12.410 -2.741 1.00 0.69 H new ATOM 0 HG2 PRO B 2 13.837 -13.035 0.147 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.614 -13.704 -0.914 1.00 0.80 H new ATOM 0 HD2 PRO B 2 14.822 -15.125 -0.364 1.00 0.84 H new ATOM 0 HD3 PRO B 2 14.146 -15.165 -1.980 1.00 0.84 H new ATOM 1199 N SER B 3 16.852 -10.535 -2.428 1.00 0.51 N ATOM 1200 CA SER B 3 17.614 -9.393 -1.957 1.00 0.47 C ATOM 1201 C SER B 3 16.669 -8.256 -1.577 1.00 0.40 C ATOM 1202 O SER B 3 15.493 -8.292 -1.932 1.00 0.37 O ATOM 1203 CB SER B 3 18.589 -8.932 -3.041 1.00 0.46 C ATOM 1204 OG SER B 3 19.420 -10.001 -3.470 1.00 0.59 O ATOM 0 H SER B 3 16.840 -10.643 -3.442 1.00 0.51 H new ATOM 0 HA SER B 3 18.184 -9.685 -1.075 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.032 -8.537 -3.891 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.206 -8.119 -2.658 1.00 0.46 H new ATOM 0 HG SER B 3 20.033 -9.681 -4.164 1.00 0.59 H new ATOM 1210 N LYS B 4 17.165 -7.249 -0.871 1.00 0.41 N ATOM 1211 CA LYS B 4 16.320 -6.120 -0.476 1.00 0.41 C ATOM 1212 C LYS B 4 15.678 -5.434 -1.688 1.00 0.29 C ATOM 1213 O LYS B 4 14.580 -4.889 -1.584 1.00 0.27 O ATOM 1214 CB LYS B 4 17.100 -5.101 0.367 1.00 0.54 C ATOM 1215 CG LYS B 4 18.610 -5.175 0.202 1.00 0.84 C ATOM 1216 CD LYS B 4 19.312 -4.032 0.913 1.00 0.95 C ATOM 1217 CE LYS B 4 19.032 -4.039 2.401 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.468 -5.306 3.046 1.00 1.79 N ATOM 0 H LYS B 4 18.135 -7.186 -0.561 1.00 0.41 H new ATOM 0 HA LYS B 4 15.518 -6.529 0.139 1.00 0.41 H new ATOM 0 HB2 LYS B 4 16.766 -4.098 0.103 1.00 0.54 H new ATOM 0 HB3 LYS B 4 16.854 -5.252 1.418 1.00 0.54 H new ATOM 0 HG2 LYS B 4 18.972 -6.125 0.595 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.861 -5.152 -0.858 1.00 0.84 H new ATOM 0 HD2 LYS B 4 20.387 -4.105 0.745 1.00 0.95 H new ATOM 0 HD3 LYS B 4 18.986 -3.083 0.486 1.00 0.95 H new ATOM 0 HE2 LYS B 4 19.544 -3.199 2.870 1.00 0.62 H new ATOM 0 HE3 LYS B 4 17.965 -3.896 2.569 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 19.595 -5.150 4.066 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 18.746 -6.039 2.895 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 20.369 -5.616 2.628 1.00 1.79 H new ATOM 1232 N LEU B 5 16.349 -5.474 -2.838 1.00 0.26 N ATOM 1233 CA LEU B 5 15.790 -4.902 -4.060 1.00 0.21 C ATOM 1234 C LEU B 5 14.628 -5.737 -4.564 1.00 0.18 C ATOM 1235 O LEU B 5 13.654 -5.197 -5.080 1.00 0.17 O ATOM 1236 CB LEU B 5 16.862 -4.724 -5.140 1.00 0.22 C ATOM 1237 CG LEU B 5 16.372 -4.228 -6.501 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.359 -3.228 -7.081 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.188 -5.394 -7.459 1.00 0.32 C ATOM 0 H LEU B 5 17.272 -5.893 -2.948 1.00 0.26 H new ATOM 0 HA LEU B 5 15.410 -3.909 -3.819 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.610 -4.023 -4.769 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.365 -5.680 -5.284 1.00 0.22 H new ATOM 0 HG LEU B 5 15.409 -3.736 -6.363 1.00 0.25 H new ATOM 0 HD11 LEU B 5 16.999 -2.882 -8.050 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.456 -2.378 -6.405 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.331 -3.706 -7.204 1.00 0.27 H new ATOM 0 HD21 LEU B 5 15.839 -5.022 -8.422 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.139 -5.909 -7.592 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.454 -6.088 -7.050 1.00 0.32 H new ATOM 1251 N ALA B 6 14.726 -7.050 -4.412 1.00 0.22 N ATOM 1252 CA ALA B 6 13.591 -7.917 -4.685 1.00 0.26 C ATOM 1253 C ALA B 6 12.379 -7.437 -3.898 1.00 0.24 C ATOM 1254 O ALA B 6 11.276 -7.364 -4.430 1.00 0.27 O ATOM 1255 CB ALA B 6 13.920 -9.367 -4.346 1.00 0.35 C ATOM 0 H ALA B 6 15.570 -7.533 -4.105 1.00 0.22 H new ATOM 0 HA ALA B 6 13.361 -7.872 -5.749 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.055 -9.996 -4.559 1.00 0.35 H new ATOM 0 HB2 ALA B 6 14.766 -9.698 -4.948 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.174 -9.445 -3.289 1.00 0.35 H new ATOM 1261 N LEU B 7 12.607 -7.057 -2.641 1.00 0.22 N ATOM 1262 CA LEU B 7 11.542 -6.536 -1.792 1.00 0.22 C ATOM 1263 C LEU B 7 11.053 -5.170 -2.270 1.00 0.18 C ATOM 1264 O LEU B 7 9.867 -4.989 -2.523 1.00 0.19 O ATOM 1265 CB LEU B 7 12.036 -6.394 -0.349 1.00 0.24 C ATOM 1266 CG LEU B 7 12.038 -7.663 0.507 1.00 0.29 C ATOM 1267 CD1 LEU B 7 12.922 -8.747 -0.094 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.500 -7.321 1.911 1.00 0.32 C ATOM 0 H LEU B 7 13.521 -7.101 -2.190 1.00 0.22 H new ATOM 0 HA LEU B 7 10.716 -7.246 -1.845 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.052 -6.000 -0.375 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.417 -5.648 0.150 1.00 0.24 H new ATOM 0 HG LEU B 7 11.022 -8.057 0.540 1.00 0.29 H new ATOM 0 HD11 LEU B 7 12.897 -9.631 0.543 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.557 -9.005 -1.088 1.00 0.31 H new ATOM 0 HD13 LEU B 7 13.946 -8.382 -0.168 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.502 -8.223 2.523 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.507 -6.906 1.872 1.00 0.32 H new ATOM 0 HD23 LEU B 7 11.823 -6.588 2.348 1.00 0.32 H new ATOM 1280 N ILE B 8 11.974 -4.216 -2.411 1.00 0.16 N ATOM 1281 CA ILE B 8 11.604 -2.854 -2.801 1.00 0.15 C ATOM 1282 C ILE B 8 10.899 -2.825 -4.161 1.00 0.16 C ATOM 1283 O ILE B 8 9.980 -2.038 -4.367 1.00 0.18 O ATOM 1284 CB ILE B 8 12.821 -1.882 -2.776 1.00 0.16 C ATOM 1285 CG1 ILE B 8 13.972 -2.388 -3.632 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.286 -1.641 -1.346 1.00 0.16 C ATOM 1287 CD1 ILE B 8 13.985 -1.814 -5.031 1.00 0.23 C ATOM 0 H ILE B 8 12.973 -4.358 -2.263 1.00 0.16 H new ATOM 0 HA ILE B 8 10.895 -2.499 -2.053 1.00 0.15 H new ATOM 0 HB ILE B 8 12.488 -0.936 -3.203 1.00 0.16 H new ATOM 0 HG12 ILE B 8 14.914 -2.145 -3.140 1.00 0.19 H new ATOM 0 HG13 ILE B 8 13.916 -3.475 -3.695 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.137 -0.960 -1.350 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.473 -1.203 -0.768 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.582 -2.588 -0.895 1.00 0.16 H new ATOM 0 HD11 ILE B 8 14.833 -2.220 -5.583 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.059 -2.079 -5.542 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.072 -0.729 -4.978 1.00 0.23 H new ATOM 1299 N GLN B 9 11.310 -3.699 -5.073 1.00 0.16 N ATOM 1300 CA GLN B 9 10.679 -3.785 -6.387 1.00 0.20 C ATOM 1301 C GLN B 9 9.321 -4.485 -6.325 1.00 0.22 C ATOM 1302 O GLN B 9 8.420 -4.153 -7.093 1.00 0.25 O ATOM 1303 CB GLN B 9 11.590 -4.497 -7.389 1.00 0.22 C ATOM 1304 CG GLN B 9 12.755 -3.644 -7.872 1.00 0.27 C ATOM 1305 CD GLN B 9 12.322 -2.498 -8.767 1.00 0.99 C ATOM 1306 OE1 GLN B 9 11.226 -1.956 -8.632 1.00 1.94 O ATOM 1307 NE2 GLN B 9 13.181 -2.123 -9.701 1.00 1.38 N ATOM 0 H GLN B 9 12.076 -4.357 -4.928 1.00 0.16 H new ATOM 0 HA GLN B 9 10.514 -2.762 -6.725 1.00 0.20 H new ATOM 0 HB2 GLN B 9 11.982 -5.404 -6.929 1.00 0.22 H new ATOM 0 HB3 GLN B 9 10.997 -4.806 -8.249 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.286 -3.243 -7.009 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.459 -4.275 -8.414 1.00 0.27 H new ATOM 0 HE21 GLN B 9 14.082 -2.595 -9.785 1.00 1.38 H new ATOM 0 HE22 GLN B 9 12.943 -1.362 -10.337 1.00 1.38 H new ATOM 1316 N GLU B 10 9.180 -5.466 -5.437 1.00 0.23 N ATOM 1317 CA GLU B 10 7.922 -6.205 -5.321 1.00 0.27 C ATOM 1318 C GLU B 10 6.878 -5.430 -4.531 1.00 0.25 C ATOM 1319 O GLU B 10 5.697 -5.733 -4.631 1.00 0.28 O ATOM 1320 CB GLU B 10 8.122 -7.605 -4.720 1.00 0.31 C ATOM 1321 CG GLU B 10 8.384 -7.614 -3.222 1.00 0.31 C ATOM 1322 CD GLU B 10 8.517 -9.016 -2.655 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.481 -9.626 -2.311 1.00 1.23 O ATOM 1324 OE2 GLU B 10 9.657 -9.516 -2.543 1.00 1.09 O ATOM 0 H GLU B 10 9.912 -5.767 -4.793 1.00 0.23 H new ATOM 0 HA GLU B 10 7.551 -6.331 -6.338 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.236 -8.205 -4.925 1.00 0.31 H new ATOM 0 HB3 GLU B 10 8.958 -8.088 -5.226 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.297 -7.055 -3.014 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.571 -7.097 -2.713 1.00 0.31 H new ATOM 1331 N LEU B 11 7.313 -4.459 -3.727 1.00 0.22 N ATOM 1332 CA LEU B 11 6.381 -3.631 -2.953 1.00 0.21 C ATOM 1333 C LEU B 11 5.216 -3.127 -3.824 1.00 0.22 C ATOM 1334 O LEU B 11 4.059 -3.238 -3.418 1.00 0.21 O ATOM 1335 CB LEU B 11 7.094 -2.445 -2.291 1.00 0.21 C ATOM 1336 CG LEU B 11 8.249 -2.800 -1.355 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.782 -1.548 -0.684 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.812 -3.817 -0.313 1.00 0.19 C ATOM 0 H LEU B 11 8.297 -4.226 -3.594 1.00 0.22 H new ATOM 0 HA LEU B 11 5.974 -4.268 -2.168 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.475 -1.791 -3.075 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.358 -1.872 -1.727 1.00 0.21 H new ATOM 0 HG LEU B 11 9.046 -3.248 -1.949 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.604 -1.813 -0.020 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.139 -0.852 -1.443 1.00 0.21 H new ATOM 0 HD13 LEU B 11 7.986 -1.078 -0.106 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.652 -4.053 0.340 1.00 0.19 H new ATOM 0 HD22 LEU B 11 6.996 -3.403 0.280 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.474 -4.726 -0.811 1.00 0.19 H new ATOM 1350 N PRO B 12 5.488 -2.562 -5.027 1.00 0.23 N ATOM 1351 CA PRO B 12 4.432 -2.192 -5.977 1.00 0.26 C ATOM 1352 C PRO B 12 3.437 -3.320 -6.252 1.00 0.27 C ATOM 1353 O PRO B 12 2.226 -3.099 -6.240 1.00 0.29 O ATOM 1354 CB PRO B 12 5.203 -1.838 -7.248 1.00 0.32 C ATOM 1355 CG PRO B 12 6.518 -1.354 -6.755 1.00 0.29 C ATOM 1356 CD PRO B 12 6.823 -2.168 -5.531 1.00 0.24 C ATOM 0 HA PRO B 12 3.818 -1.380 -5.587 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.316 -2.705 -7.899 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.687 -1.071 -7.826 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.291 -1.483 -7.513 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.479 -0.291 -6.517 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.433 -3.039 -5.772 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.374 -1.587 -4.792 1.00 0.24 H new ATOM 1364 N ASP B 13 3.939 -4.528 -6.477 1.00 0.27 N ATOM 1365 CA ASP B 13 3.074 -5.670 -6.775 1.00 0.29 C ATOM 1366 C ASP B 13 2.300 -6.091 -5.530 1.00 0.26 C ATOM 1367 O ASP B 13 1.112 -6.390 -5.597 1.00 0.25 O ATOM 1368 CB ASP B 13 3.895 -6.846 -7.310 1.00 0.35 C ATOM 1369 CG ASP B 13 3.037 -8.043 -7.668 1.00 1.17 C ATOM 1370 OD1 ASP B 13 2.402 -8.027 -8.742 1.00 1.70 O ATOM 1371 OD2 ASP B 13 2.997 -9.009 -6.880 1.00 2.01 O ATOM 0 H ASP B 13 4.936 -4.745 -6.460 1.00 0.27 H new ATOM 0 HA ASP B 13 2.363 -5.367 -7.544 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.450 -6.525 -8.192 1.00 0.35 H new ATOM 0 HB3 ASP B 13 4.630 -7.142 -6.561 1.00 0.35 H new ATOM 1376 N ARG B 14 2.993 -6.109 -4.399 1.00 0.27 N ATOM 1377 CA ARG B 14 2.369 -6.385 -3.108 1.00 0.27 C ATOM 1378 C ARG B 14 1.223 -5.428 -2.826 1.00 0.24 C ATOM 1379 O ARG B 14 0.187 -5.839 -2.334 1.00 0.25 O ATOM 1380 CB ARG B 14 3.387 -6.285 -1.971 1.00 0.31 C ATOM 1381 CG ARG B 14 4.218 -7.536 -1.766 1.00 0.42 C ATOM 1382 CD ARG B 14 5.204 -7.352 -0.619 1.00 0.37 C ATOM 1383 NE ARG B 14 6.044 -8.534 -0.421 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.331 -9.079 0.760 1.00 0.60 C ATOM 1385 NH1 ARG B 14 5.802 -8.597 1.878 1.00 1.20 N ATOM 1386 NH2 ARG B 14 7.152 -10.120 0.815 1.00 1.04 N ATOM 0 H ARG B 14 3.997 -5.934 -4.348 1.00 0.27 H new ATOM 0 HA ARG B 14 1.980 -7.402 -3.160 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.056 -5.447 -2.170 1.00 0.31 H new ATOM 0 HB3 ARG B 14 2.859 -6.058 -1.045 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.563 -8.382 -1.556 1.00 0.42 H new ATOM 0 HG3 ARG B 14 4.760 -7.772 -2.682 1.00 0.42 H new ATOM 0 HD2 ARG B 14 5.837 -6.488 -0.820 1.00 0.37 H new ATOM 0 HD3 ARG B 14 4.656 -7.139 0.299 1.00 0.37 H new ATOM 0 HE ARG B 14 6.440 -8.974 -1.251 1.00 0.86 H new ATOM 0 HH11 ARG B 14 5.167 -7.800 1.839 1.00 1.20 H new ATOM 0 HH12 ARG B 14 6.030 -9.024 2.776 1.00 1.20 H new ATOM 0 HH21 ARG B 14 7.557 -10.496 -0.042 1.00 1.04 H new ATOM 0 HH22 ARG B 14 7.378 -10.544 1.715 1.00 1.04 H new ATOM 1400 N ILE B 15 1.426 -4.151 -3.118 1.00 0.22 N ATOM 1401 CA ILE B 15 0.404 -3.136 -2.890 1.00 0.22 C ATOM 1402 C ILE B 15 -0.679 -3.215 -3.964 1.00 0.21 C ATOM 1403 O ILE B 15 -1.848 -2.917 -3.712 1.00 0.21 O ATOM 1404 CB ILE B 15 1.047 -1.728 -2.811 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.492 -0.953 -1.612 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.862 -0.940 -4.100 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.944 -0.492 -1.769 1.00 0.29 C ATOM 0 H ILE B 15 2.294 -3.791 -3.515 1.00 0.22 H new ATOM 0 HA ILE B 15 -0.078 -3.327 -1.931 1.00 0.22 H new ATOM 0 HB ILE B 15 2.120 -1.866 -2.674 1.00 0.23 H new ATOM 0 HG12 ILE B 15 0.563 -1.582 -0.725 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.123 -0.081 -1.436 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.329 0.040 -3.998 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.327 -1.479 -4.926 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.202 -0.816 -4.301 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -1.253 0.047 -0.874 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -1.022 0.166 -2.634 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.591 -1.358 -1.912 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.289 -3.633 -5.159 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.247 -3.937 -6.205 1.00 0.24 C ATOM 1421 C GLN B 16 -2.176 -5.044 -5.724 1.00 0.23 C ATOM 1422 O GLN B 16 -3.392 -4.970 -5.892 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.511 -4.354 -7.480 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.421 -4.845 -8.588 1.00 0.92 C ATOM 1425 CD GLN B 16 -0.673 -5.065 -9.888 1.00 1.21 C ATOM 1426 OE1 GLN B 16 -0.582 -4.166 -10.725 1.00 1.80 O ATOM 1427 NE2 GLN B 16 -0.122 -6.254 -10.061 1.00 1.82 N ATOM 0 H GLN B 16 0.686 -3.769 -5.426 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.842 -3.053 -6.433 1.00 0.24 H new ATOM 0 HB2 GLN B 16 0.066 -3.505 -7.848 1.00 0.29 H new ATOM 0 HB3 GLN B 16 0.202 -5.141 -7.234 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -1.894 -5.778 -8.281 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -2.219 -4.120 -8.748 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -0.221 -6.971 -9.343 1.00 1.82 H new ATOM 0 HE22 GLN B 16 0.402 -6.454 -10.913 1.00 1.82 H new ATOM 1436 N THR B 17 -1.587 -6.049 -5.094 1.00 0.24 N ATOM 1437 CA THR B 17 -2.334 -7.141 -4.494 1.00 0.26 C ATOM 1438 C THR B 17 -3.056 -6.680 -3.229 1.00 0.24 C ATOM 1439 O THR B 17 -4.140 -7.163 -2.905 1.00 0.34 O ATOM 1440 CB THR B 17 -1.393 -8.320 -4.164 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.721 -8.754 -5.353 1.00 0.32 O ATOM 1442 CG2 THR B 17 -2.148 -9.493 -3.556 1.00 0.43 C ATOM 0 H THR B 17 -0.576 -6.129 -4.985 1.00 0.24 H new ATOM 0 HA THR B 17 -3.081 -7.474 -5.215 1.00 0.26 H new ATOM 0 HB THR B 17 -0.668 -7.967 -3.431 1.00 0.31 H new ATOM 0 HG1 THR B 17 -0.040 -8.095 -5.603 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.450 -10.301 -3.338 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.633 -9.174 -2.633 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.902 -9.844 -4.260 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.459 -5.730 -2.531 1.00 0.20 N ATOM 1451 CA ALA B 18 -3.039 -5.183 -1.319 1.00 0.21 C ATOM 1452 C ALA B 18 -4.405 -4.586 -1.596 1.00 0.19 C ATOM 1453 O ALA B 18 -5.321 -4.723 -0.795 1.00 0.25 O ATOM 1454 CB ALA B 18 -2.115 -4.138 -0.710 1.00 0.26 C ATOM 0 H ALA B 18 -1.562 -5.318 -2.788 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.162 -5.997 -0.604 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.566 -3.738 0.198 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -1.156 -4.597 -0.468 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.960 -3.329 -1.424 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.549 -3.942 -2.741 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.782 -3.235 -3.021 1.00 0.24 C ATOM 1462 C VAL B 19 -6.535 -3.765 -4.249 1.00 0.25 C ATOM 1463 O VAL B 19 -7.571 -3.212 -4.620 1.00 0.32 O ATOM 1464 CB VAL B 19 -5.515 -1.724 -3.166 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -5.157 -1.356 -4.594 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -6.697 -0.923 -2.663 1.00 1.78 C ATOM 0 H VAL B 19 -3.843 -3.895 -3.476 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.433 -3.414 -2.166 1.00 0.24 H new ATOM 0 HB VAL B 19 -4.653 -1.473 -2.548 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -4.976 -0.283 -4.659 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -4.258 -1.895 -4.894 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -5.980 -1.625 -5.256 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -6.489 0.141 -2.774 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -7.584 -1.181 -3.241 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -6.870 -1.151 -1.611 1.00 1.78 H new ATOM 1476 N GLU B 20 -6.050 -4.843 -4.867 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.745 -5.413 -6.027 1.00 0.31 C ATOM 1478 C GLU B 20 -8.156 -5.848 -5.640 1.00 0.31 C ATOM 1479 O GLU B 20 -9.093 -5.761 -6.434 1.00 0.33 O ATOM 1480 CB GLU B 20 -5.946 -6.577 -6.648 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.488 -7.660 -5.670 1.00 0.42 C ATOM 1482 CD GLU B 20 -6.574 -8.651 -5.302 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -7.082 -9.342 -6.205 1.00 1.66 O ATOM 1484 OE2 GLU B 20 -6.911 -8.752 -4.105 1.00 1.61 O ATOM 0 H GLU B 20 -5.198 -5.332 -4.593 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.825 -4.638 -6.790 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.559 -7.044 -7.419 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -5.067 -6.166 -7.145 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.649 -8.201 -6.108 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -5.121 -7.184 -4.761 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.273 -6.305 -4.405 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.555 -6.661 -3.820 1.00 0.33 C ATOM 1493 C ALA B 21 -10.530 -5.486 -3.876 1.00 0.27 C ATOM 1494 O ALA B 21 -11.649 -5.616 -4.368 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.352 -7.113 -2.383 1.00 0.38 C ATOM 0 H ALA B 21 -7.480 -6.440 -3.778 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.986 -7.479 -4.398 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.314 -7.379 -1.946 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.692 -7.980 -2.364 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.904 -6.304 -1.807 1.00 0.38 H new ATOM 1501 N ALA B 22 -10.090 -4.335 -3.393 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.939 -3.154 -3.339 1.00 0.27 C ATOM 1503 C ALA B 22 -11.139 -2.541 -4.724 1.00 0.27 C ATOM 1504 O ALA B 22 -12.183 -1.951 -5.009 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.362 -2.137 -2.375 1.00 0.33 C ATOM 0 H ALA B 22 -9.147 -4.193 -3.031 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.920 -3.461 -2.977 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -11.007 -1.259 -2.344 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.298 -2.575 -1.379 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.366 -1.845 -2.708 1.00 0.33 H new ATOM 1511 N MET B 23 -10.135 -2.661 -5.582 1.00 0.28 N ATOM 1512 CA MET B 23 -10.258 -2.182 -6.953 1.00 0.32 C ATOM 1513 C MET B 23 -11.278 -3.021 -7.710 1.00 0.33 C ATOM 1514 O MET B 23 -12.131 -2.487 -8.418 1.00 0.37 O ATOM 1515 CB MET B 23 -8.910 -2.206 -7.679 1.00 0.35 C ATOM 1516 CG MET B 23 -7.893 -1.214 -7.134 1.00 0.41 C ATOM 1517 SD MET B 23 -8.514 0.478 -7.086 1.00 0.76 S ATOM 1518 CE MET B 23 -8.766 0.682 -5.327 1.00 0.77 C ATOM 0 H MET B 23 -9.234 -3.082 -5.356 1.00 0.28 H new ATOM 0 HA MET B 23 -10.599 -1.147 -6.917 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.492 -3.211 -7.614 1.00 0.35 H new ATOM 0 HB3 MET B 23 -9.075 -1.997 -8.736 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.601 -1.517 -6.128 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.994 -1.248 -7.750 1.00 0.41 H new ATOM 0 HE1 MET B 23 -8.522 1.705 -5.041 1.00 0.77 H new ATOM 0 HE2 MET B 23 -9.808 0.476 -5.082 1.00 0.77 H new ATOM 0 HE3 MET B 23 -8.122 -0.010 -4.784 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.189 -4.335 -7.548 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.138 -5.231 -8.178 1.00 0.39 C ATOM 1530 C GLY B 24 -13.453 -5.322 -7.425 1.00 0.43 C ATOM 1531 O GLY B 24 -14.338 -6.090 -7.806 1.00 0.63 O ATOM 0 H GLY B 24 -10.472 -4.798 -6.988 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.330 -4.891 -9.196 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.698 -6.225 -8.252 1.00 0.39 H new ATOM 1535 N MET B 25 -13.585 -4.546 -6.356 1.00 0.42 N ATOM 1536 CA MET B 25 -14.817 -4.519 -5.579 1.00 0.46 C ATOM 1537 C MET B 25 -15.950 -3.923 -6.402 1.00 0.44 C ATOM 1538 O MET B 25 -15.772 -2.908 -7.076 1.00 0.48 O ATOM 1539 CB MET B 25 -14.642 -3.695 -4.302 1.00 0.59 C ATOM 1540 CG MET B 25 -15.890 -3.664 -3.432 1.00 0.60 C ATOM 1541 SD MET B 25 -16.200 -2.048 -2.697 1.00 0.99 S ATOM 1542 CE MET B 25 -14.880 -1.961 -1.500 1.00 0.45 C ATOM 0 H MET B 25 -12.853 -3.927 -6.008 1.00 0.42 H new ATOM 0 HA MET B 25 -15.060 -5.547 -5.309 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.814 -4.105 -3.724 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.369 -2.675 -4.571 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.752 -3.954 -4.033 1.00 0.60 H new ATOM 0 HG3 MET B 25 -15.791 -4.404 -2.638 1.00 0.60 H new ATOM 0 HE1 MET B 25 -15.127 -1.220 -0.740 1.00 0.45 H new ATOM 0 HE2 MET B 25 -14.751 -2.935 -1.029 1.00 0.45 H new ATOM 0 HE3 MET B 25 -13.954 -1.674 -1.999 1.00 0.45 H new ATOM 1552 N SER B 26 -17.104 -4.558 -6.352 1.00 0.51 N ATOM 1553 CA SER B 26 -18.277 -4.063 -7.041 1.00 0.60 C ATOM 1554 C SER B 26 -19.114 -3.207 -6.104 1.00 0.83 C ATOM 1555 O SER B 26 -19.950 -3.711 -5.361 1.00 1.79 O ATOM 1556 CB SER B 26 -19.093 -5.233 -7.558 1.00 0.63 C ATOM 1557 OG SER B 26 -20.097 -4.815 -8.465 1.00 1.43 O ATOM 0 H SER B 26 -17.254 -5.425 -5.836 1.00 0.51 H new ATOM 0 HA SER B 26 -17.965 -3.446 -7.884 1.00 0.60 H new ATOM 0 HB2 SER B 26 -18.433 -5.947 -8.051 1.00 0.63 H new ATOM 0 HB3 SER B 26 -19.555 -5.753 -6.719 1.00 0.63 H new ATOM 0 HG SER B 26 -20.601 -5.595 -8.778 1.00 1.43 H new ATOM 1563 N TYR B 27 -18.869 -1.913 -6.140 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.562 -0.965 -5.279 1.00 0.47 C ATOM 1565 C TYR B 27 -20.771 -0.379 -5.996 1.00 0.48 C ATOM 1566 O TYR B 27 -21.508 0.423 -5.432 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.596 0.152 -4.856 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.827 0.743 -6.019 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -16.672 0.132 -6.486 1.00 1.36 C ATOM 1570 CD2 TYR B 27 -18.271 1.886 -6.673 1.00 1.16 C ATOM 1571 CE1 TYR B 27 -15.985 0.639 -7.561 1.00 1.39 C ATOM 1572 CE2 TYR B 27 -17.589 2.398 -7.755 1.00 1.18 C ATOM 1573 CZ TYR B 27 -16.447 1.769 -8.199 1.00 0.54 C ATOM 1574 OH TYR B 27 -15.761 2.271 -9.281 1.00 0.68 O ATOM 0 H TYR B 27 -18.185 -1.485 -6.765 1.00 0.48 H new ATOM 0 HA TYR B 27 -19.914 -1.486 -4.389 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -19.159 0.943 -4.361 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.891 -0.243 -4.125 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -16.307 -0.758 -5.995 1.00 1.36 H new ATOM 0 HD2 TYR B 27 -19.166 2.381 -6.327 1.00 1.16 H new ATOM 0 HE1 TYR B 27 -15.084 0.153 -7.906 1.00 1.39 H new ATOM 0 HE2 TYR B 27 -17.948 3.287 -8.252 1.00 1.18 H new ATOM 0 HH TYR B 27 -14.803 2.297 -9.077 1.00 0.68 H new ATOM 1584 N GLN B 28 -20.983 -0.794 -7.240 1.00 0.53 N ATOM 1585 CA GLN B 28 -22.072 -0.255 -8.047 1.00 0.62 C ATOM 1586 C GLN B 28 -23.433 -0.754 -7.559 1.00 0.70 C ATOM 1587 O GLN B 28 -24.475 -0.309 -8.045 1.00 0.86 O ATOM 1588 CB GLN B 28 -21.878 -0.605 -9.522 1.00 0.72 C ATOM 1589 CG GLN B 28 -22.024 -2.084 -9.829 1.00 1.34 C ATOM 1590 CD GLN B 28 -21.930 -2.379 -11.314 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -21.142 -1.587 -12.025 1.00 2.14 O flip ATOM 1592 NE2 GLN B 28 -22.555 -3.313 -11.815 1.00 2.12 N flip ATOM 0 H GLN B 28 -20.417 -1.500 -7.711 1.00 0.53 H new ATOM 0 HA GLN B 28 -22.053 0.829 -7.938 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -22.603 -0.048 -10.116 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -20.888 -0.275 -9.836 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -21.249 -2.640 -9.301 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -22.983 -2.438 -9.451 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -23.151 -3.899 -11.231 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -22.477 -3.501 -12.814 1.00 2.12 H new ATOM 1601 N ASP B 29 -23.426 -1.673 -6.596 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.662 -2.123 -5.962 1.00 0.84 C ATOM 1603 C ASP B 29 -24.940 -1.285 -4.721 1.00 0.69 C ATOM 1604 O ASP B 29 -25.750 -1.645 -3.864 1.00 0.84 O ATOM 1605 CB ASP B 29 -24.618 -3.620 -5.612 1.00 1.06 C ATOM 1606 CG ASP B 29 -23.401 -4.040 -4.801 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -22.988 -3.302 -3.887 1.00 2.56 O ATOM 1608 OD2 ASP B 29 -22.860 -5.135 -5.074 1.00 2.58 O ATOM 0 H ASP B 29 -22.581 -2.119 -6.239 1.00 0.69 H new ATOM 0 HA ASP B 29 -25.475 -1.988 -6.676 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -25.518 -3.877 -5.053 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -24.641 -4.198 -6.536 1.00 1.06 H new ATOM 1613 N ALA B 30 -24.241 -0.165 -4.641 1.00 0.68 N ATOM 1614 CA ALA B 30 -24.442 0.813 -3.592 1.00 0.53 C ATOM 1615 C ALA B 30 -24.870 2.140 -4.217 1.00 0.54 C ATOM 1616 O ALA B 30 -24.621 2.371 -5.405 1.00 0.64 O ATOM 1617 CB ALA B 30 -23.153 0.984 -2.794 1.00 0.46 C ATOM 0 H ALA B 30 -23.513 0.090 -5.309 1.00 0.68 H new ATOM 0 HA ALA B 30 -25.224 0.474 -2.913 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.308 1.721 -2.006 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.871 0.030 -2.349 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -22.357 1.324 -3.457 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.550 3.017 -3.448 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.899 4.357 -3.919 1.00 0.63 C ATOM 1625 C PRO B 31 -24.660 5.112 -4.361 1.00 0.53 C ATOM 1626 O PRO B 31 -23.572 4.865 -3.827 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.521 5.053 -2.708 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.796 3.990 -1.695 1.00 0.62 C ATOM 1629 CD PRO B 31 -26.025 2.757 -2.087 1.00 0.51 C ATOM 0 HA PRO B 31 -26.574 4.319 -4.774 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -25.844 5.806 -2.305 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -27.440 5.568 -2.988 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.498 4.325 -0.702 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.863 3.773 -1.651 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.192 2.581 -1.406 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.658 1.870 -2.053 1.00 0.51 H new ATOM 1637 N ASN B 32 -24.810 6.020 -5.322 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.657 6.685 -5.919 1.00 0.62 C ATOM 1639 C ASN B 32 -22.751 7.253 -4.848 1.00 0.59 C ATOM 1640 O ASN B 32 -21.587 6.916 -4.809 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.065 7.807 -6.879 1.00 0.73 C ATOM 1642 CG ASN B 32 -23.000 8.116 -7.910 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -22.148 8.980 -7.709 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -23.055 7.423 -9.036 1.00 2.04 N ATOM 0 H ASN B 32 -25.711 6.310 -5.701 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.123 5.925 -6.490 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -24.986 7.525 -7.389 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -24.281 8.708 -6.306 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -22.375 7.597 -9.776 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -23.778 6.715 -9.164 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.305 8.035 -3.930 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.487 8.803 -2.988 1.00 0.61 C ATOM 1653 C ASN B 33 -21.610 7.906 -2.105 1.00 0.53 C ATOM 1654 O ASN B 33 -20.431 8.195 -1.904 1.00 0.50 O ATOM 1655 CB ASN B 33 -23.360 9.717 -2.113 1.00 0.72 C ATOM 1656 CG ASN B 33 -24.261 8.972 -1.134 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -24.742 7.870 -1.409 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -24.497 9.573 0.023 1.00 2.16 N ATOM 0 H ASN B 33 -24.311 8.157 -3.814 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.821 9.421 -3.591 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -22.712 10.391 -1.552 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -23.980 10.337 -2.761 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -25.093 9.124 0.719 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -24.083 10.485 0.218 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.172 6.814 -1.598 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.421 5.931 -0.710 1.00 0.50 C ATOM 1667 C VAL B 34 -20.420 5.117 -1.510 1.00 0.43 C ATOM 1668 O VAL B 34 -19.295 4.878 -1.077 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.330 5.006 0.123 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.367 5.829 0.855 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -22.996 3.941 -0.730 1.00 0.59 C ATOM 0 H VAL B 34 -23.131 6.521 -1.783 1.00 0.50 H new ATOM 0 HA VAL B 34 -20.890 6.566 -0.000 1.00 0.50 H new ATOM 0 HB VAL B 34 -21.703 4.487 0.848 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -24.007 5.170 1.442 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -22.869 6.536 1.518 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -23.974 6.375 0.133 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.627 3.313 -0.101 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.608 4.418 -1.496 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -22.232 3.326 -1.207 1.00 0.59 H new ATOM 1681 N ARG B 35 -20.830 4.707 -2.697 1.00 0.43 N ATOM 1682 CA ARG B 35 -19.956 3.970 -3.574 1.00 0.44 C ATOM 1683 C ARG B 35 -18.891 4.901 -4.130 1.00 0.39 C ATOM 1684 O ARG B 35 -17.832 4.456 -4.525 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.731 3.236 -4.667 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.154 4.077 -5.857 1.00 0.52 C ATOM 1687 CD ARG B 35 -21.877 3.222 -6.885 1.00 0.59 C ATOM 1688 NE ARG B 35 -22.171 3.950 -8.115 1.00 1.08 N ATOM 1689 CZ ARG B 35 -23.244 3.730 -8.871 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -24.185 2.882 -8.472 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -23.384 4.378 -10.020 1.00 2.15 N ATOM 0 H ARG B 35 -21.764 4.875 -3.070 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.455 3.190 -3.001 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.117 2.411 -5.029 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.624 2.797 -4.221 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -21.806 4.885 -5.525 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.278 4.540 -6.312 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -21.267 2.350 -7.121 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.808 2.853 -6.455 1.00 0.59 H new ATOM 0 HE ARG B 35 -21.514 4.671 -8.413 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -24.088 2.395 -7.581 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -25.005 2.718 -9.056 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -22.671 5.042 -10.321 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -24.205 4.212 -10.602 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.220 6.188 -4.223 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.246 7.240 -4.525 1.00 0.36 C ATOM 1707 C ARG B 36 -17.208 7.341 -3.449 1.00 0.34 C ATOM 1708 O ARG B 36 -16.098 7.780 -3.692 1.00 0.33 O ATOM 1709 CB ARG B 36 -18.925 8.581 -4.717 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.720 8.591 -5.981 1.00 0.57 C ATOM 1711 CD ARG B 36 -18.888 8.950 -7.175 1.00 0.75 C ATOM 1712 NE ARG B 36 -18.834 10.400 -7.387 1.00 1.40 N ATOM 1713 CZ ARG B 36 -17.725 11.092 -7.662 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -16.567 10.474 -7.830 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -17.784 12.413 -7.791 1.00 2.88 N ATOM 0 H ARG B 36 -20.171 6.533 -4.091 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.754 6.966 -5.458 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -19.577 8.789 -3.869 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.177 9.373 -4.745 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.166 7.608 -6.134 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -20.540 9.302 -5.886 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -17.877 8.564 -7.042 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -19.299 8.468 -8.062 1.00 0.75 H new ATOM 0 HE ARG B 36 -19.709 10.919 -7.319 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -16.515 9.459 -7.750 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -15.727 11.013 -8.040 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -18.675 12.897 -7.680 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -16.938 12.943 -8.001 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.593 7.017 -2.244 1.00 0.34 N ATOM 1730 CA ASP B 37 -16.619 6.895 -1.174 1.00 0.34 C ATOM 1731 C ASP B 37 -15.671 5.740 -1.482 1.00 0.28 C ATOM 1732 O ASP B 37 -14.482 5.797 -1.166 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.295 6.727 0.187 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.826 8.048 0.711 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -17.007 8.959 0.966 1.00 1.47 O ATOM 1736 OD2 ASP B 37 -19.055 8.187 0.861 1.00 1.39 O ATOM 0 H ASP B 37 -18.559 6.833 -1.973 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.040 7.817 -1.117 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.114 6.013 0.102 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -16.582 6.312 0.900 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.195 4.701 -2.137 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.339 3.661 -2.715 1.00 0.24 C ATOM 1743 C LEU B 38 -14.653 4.186 -3.977 1.00 0.23 C ATOM 1744 O LEU B 38 -13.594 3.704 -4.357 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.113 2.385 -3.079 1.00 0.33 C ATOM 1746 CG LEU B 38 -16.660 1.547 -1.921 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.713 1.553 -0.742 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -18.029 2.026 -1.512 1.00 0.49 C ATOM 0 H LEU B 38 -17.195 4.558 -2.280 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.606 3.406 -1.949 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -16.950 2.668 -3.717 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -15.458 1.750 -3.676 1.00 0.33 H new ATOM 0 HG LEU B 38 -16.749 0.518 -2.269 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.131 0.949 0.063 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -14.752 1.138 -1.045 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.573 2.576 -0.393 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.397 1.415 -0.688 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -17.970 3.067 -1.194 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.711 1.943 -2.358 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.286 5.149 -4.643 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.710 5.789 -5.823 1.00 0.26 C ATOM 1762 C ASP B 39 -13.496 6.627 -5.414 1.00 0.24 C ATOM 1763 O ASP B 39 -12.526 6.765 -6.157 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.738 6.659 -6.539 1.00 0.30 C ATOM 1765 CG ASP B 39 -15.316 6.991 -7.953 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.725 6.119 -8.621 1.00 1.50 O ATOM 1767 OD2 ASP B 39 -15.574 8.124 -8.403 1.00 1.53 O ATOM 0 H ASP B 39 -16.206 5.505 -4.383 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.395 5.010 -6.517 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.698 6.143 -6.559 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -15.884 7.582 -5.978 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.576 7.180 -4.206 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.467 7.887 -3.580 1.00 0.24 C ATOM 1774 C ASN B 40 -11.411 6.888 -3.161 1.00 0.24 C ATOM 1775 O ASN B 40 -10.222 7.139 -3.287 1.00 0.26 O ATOM 1776 CB ASN B 40 -12.942 8.683 -2.356 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.819 9.869 -2.716 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.675 10.469 -3.784 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -14.732 10.224 -1.821 1.00 1.29 N ATOM 0 H ASN B 40 -14.419 7.149 -3.632 1.00 0.25 H new ATOM 0 HA ASN B 40 -12.050 8.589 -4.302 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.495 8.019 -1.691 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.073 9.037 -1.802 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.345 11.018 -2.005 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -14.821 9.703 -0.949 1.00 1.29 H new ATOM 1786 N LEU B 41 -11.860 5.745 -2.655 1.00 0.25 N ATOM 1787 CA LEU B 41 -10.962 4.632 -2.386 1.00 0.28 C ATOM 1788 C LEU B 41 -10.257 4.234 -3.680 1.00 0.30 C ATOM 1789 O LEU B 41 -9.084 3.890 -3.690 1.00 0.37 O ATOM 1790 CB LEU B 41 -11.737 3.439 -1.823 1.00 0.29 C ATOM 1791 CG LEU B 41 -10.872 2.266 -1.366 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -9.986 2.681 -0.202 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -11.743 1.081 -0.985 1.00 1.04 C ATOM 0 H LEU B 41 -12.837 5.567 -2.424 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.224 4.939 -1.645 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.336 3.780 -0.979 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.432 3.084 -2.584 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.229 1.965 -2.193 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -9.376 1.834 0.111 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -9.337 3.500 -0.513 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -10.609 3.008 0.631 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.111 0.254 -0.662 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.411 1.367 -0.172 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.333 0.771 -1.847 1.00 1.04 H new ATOM 1805 N HIS B 42 -10.991 4.318 -4.776 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.477 3.963 -6.086 1.00 0.32 C ATOM 1807 C HIS B 42 -9.442 4.951 -6.576 1.00 0.38 C ATOM 1808 O HIS B 42 -8.433 4.558 -7.144 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.617 3.841 -7.090 1.00 0.32 C ATOM 1810 CG HIS B 42 -12.093 2.440 -7.228 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.566 1.913 -8.407 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -12.131 1.443 -6.322 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -12.873 0.642 -8.222 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.620 0.332 -6.962 1.00 0.39 N ATOM 0 H HIS B 42 -11.961 4.635 -4.782 1.00 0.27 H new ATOM 0 HA HIS B 42 -9.983 2.996 -5.991 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.446 4.476 -6.776 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -11.285 4.208 -8.061 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.832 1.507 -5.286 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -13.264 -0.030 -8.972 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.765 -0.583 -6.535 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.679 6.229 -6.363 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.724 7.227 -6.798 1.00 0.37 C ATOM 1825 C ALA B 43 -7.544 7.298 -5.848 1.00 0.38 C ATOM 1826 O ALA B 43 -6.400 7.194 -6.268 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.385 8.587 -6.895 1.00 0.42 C ATOM 0 H ALA B 43 -10.510 6.597 -5.899 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.361 6.935 -7.784 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.653 9.325 -7.223 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.203 8.543 -7.614 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.775 8.873 -5.918 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.836 7.440 -4.565 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.810 7.677 -3.565 1.00 0.40 C ATOM 1835 C CYS B 44 -5.991 6.436 -3.220 1.00 0.35 C ATOM 1836 O CYS B 44 -4.798 6.549 -2.979 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.411 8.253 -2.295 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.478 9.689 -2.562 1.00 1.64 S ATOM 0 H CYS B 44 -8.784 7.395 -4.191 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.127 8.397 -4.016 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -7.987 7.475 -1.794 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.603 8.536 -1.620 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.646 9.292 -2.973 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.616 5.262 -3.161 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.878 4.056 -2.787 1.00 0.29 C ATOM 1846 C LEU B 45 -5.088 3.544 -3.973 1.00 0.28 C ATOM 1847 O LEU B 45 -4.008 2.977 -3.823 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.807 2.963 -2.256 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.377 2.341 -0.925 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.016 1.669 -1.050 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -6.348 3.402 0.160 1.00 1.77 C ATOM 0 H LEU B 45 -7.606 5.120 -3.361 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.192 4.321 -1.983 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.806 3.382 -2.138 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -6.878 2.173 -3.003 1.00 0.27 H new ATOM 0 HG LEU B 45 -7.104 1.576 -0.652 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -4.735 1.236 -0.090 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -5.066 0.882 -1.803 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -4.271 2.408 -1.347 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -6.041 2.950 1.103 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -5.640 4.184 -0.115 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.342 3.835 0.272 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.624 3.748 -5.159 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.877 3.463 -6.364 1.00 0.33 C ATOM 1865 C ASN B 46 -3.737 4.479 -6.496 1.00 0.36 C ATOM 1866 O ASN B 46 -2.609 4.122 -6.831 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.817 3.451 -7.576 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.096 3.652 -8.895 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -4.614 2.694 -9.499 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.029 4.891 -9.359 1.00 0.98 N ATOM 0 H ASN B 46 -6.566 4.107 -5.313 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.428 2.471 -6.314 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.352 2.502 -7.603 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.565 4.235 -7.455 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -4.565 5.078 -10.248 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -5.441 5.658 -8.827 1.00 0.98 H new ATOM 1877 N LYS B 47 -4.042 5.744 -6.211 1.00 0.35 N ATOM 1878 CA LYS B 47 -3.024 6.779 -6.005 1.00 0.37 C ATOM 1879 C LYS B 47 -1.996 6.357 -4.955 1.00 0.36 C ATOM 1880 O LYS B 47 -0.821 6.684 -5.066 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.699 8.077 -5.557 1.00 0.44 C ATOM 1882 CG LYS B 47 -2.744 9.180 -5.139 1.00 0.92 C ATOM 1883 CD LYS B 47 -3.476 10.355 -4.512 1.00 0.81 C ATOM 1884 CE LYS B 47 -4.177 9.958 -3.223 1.00 1.08 C ATOM 1885 NZ LYS B 47 -4.766 11.132 -2.526 1.00 1.51 N ATOM 0 H LYS B 47 -5.000 6.082 -6.116 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.502 6.929 -6.950 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -4.323 8.445 -6.371 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.363 7.855 -4.722 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -2.019 8.783 -4.428 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -2.183 9.524 -6.008 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -2.768 11.158 -4.309 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -4.208 10.747 -5.218 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -4.963 9.236 -3.445 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -3.466 9.462 -2.562 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -5.234 10.818 -1.652 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -4.013 11.810 -2.291 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -5.463 11.591 -3.147 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.440 5.646 -3.930 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.540 5.164 -2.894 1.00 0.41 C ATOM 1901 C ALA B 48 -0.528 4.202 -3.488 1.00 0.38 C ATOM 1902 O ALA B 48 0.651 4.238 -3.142 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.314 4.506 -1.762 1.00 0.49 C ATOM 0 H ALA B 48 -3.418 5.390 -3.793 1.00 0.40 H new ATOM 0 HA ALA B 48 -1.005 6.017 -2.477 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.617 4.155 -1.001 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.999 5.230 -1.320 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.881 3.661 -2.152 1.00 0.49 H new ATOM 1909 N LYS B 49 -0.977 3.384 -4.434 1.00 0.39 N ATOM 1910 CA LYS B 49 -0.084 2.473 -5.129 1.00 0.40 C ATOM 1911 C LYS B 49 0.855 3.289 -5.999 1.00 0.44 C ATOM 1912 O LYS B 49 2.030 2.979 -6.143 1.00 0.53 O ATOM 1913 CB LYS B 49 -0.867 1.504 -6.017 1.00 0.38 C ATOM 1914 CG LYS B 49 -1.999 0.774 -5.317 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.508 -0.362 -6.183 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.306 0.143 -7.378 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.518 -0.923 -8.393 1.00 0.93 N ATOM 0 H LYS B 49 -1.951 3.335 -4.734 1.00 0.39 H new ATOM 0 HA LYS B 49 0.471 1.893 -4.392 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.277 2.058 -6.861 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.175 0.767 -6.425 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.652 0.384 -4.360 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.811 1.469 -5.102 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.664 -0.955 -6.535 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -3.133 -1.023 -5.583 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.271 0.518 -7.038 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -2.782 0.982 -7.836 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -4.065 -0.540 -9.190 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -2.597 -1.263 -8.737 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -4.040 -1.713 -7.963 1.00 0.93 H new ATOM 1931 N LEU B 50 0.297 4.352 -6.557 1.00 0.40 N ATOM 1932 CA LEU B 50 1.027 5.280 -7.401 1.00 0.45 C ATOM 1933 C LEU B 50 2.160 5.966 -6.638 1.00 0.39 C ATOM 1934 O LEU B 50 3.275 6.091 -7.146 1.00 0.41 O ATOM 1935 CB LEU B 50 0.043 6.310 -7.962 1.00 0.54 C ATOM 1936 CG LEU B 50 -0.894 5.768 -9.040 1.00 1.03 C ATOM 1937 CD1 LEU B 50 -1.694 6.900 -9.661 1.00 2.10 C ATOM 1938 CD2 LEU B 50 -0.103 5.016 -10.100 1.00 0.71 C ATOM 0 H LEU B 50 -0.686 4.596 -6.434 1.00 0.40 H new ATOM 0 HA LEU B 50 1.490 4.728 -8.219 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.557 6.705 -7.142 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.608 7.146 -8.376 1.00 0.54 H new ATOM 0 HG LEU B 50 -1.593 5.070 -8.579 1.00 1.03 H new ATOM 0 HD11 LEU B 50 -2.357 6.499 -10.427 1.00 2.10 H new ATOM 0 HD12 LEU B 50 -2.286 7.393 -8.890 1.00 2.10 H new ATOM 0 HD13 LEU B 50 -1.013 7.622 -10.112 1.00 2.10 H new ATOM 0 HD21 LEU B 50 -0.784 4.636 -10.861 1.00 0.71 H new ATOM 0 HD22 LEU B 50 0.618 5.690 -10.563 1.00 0.71 H new ATOM 0 HD23 LEU B 50 0.425 4.182 -9.637 1.00 0.71 H new ATOM 1950 N THR B 51 1.873 6.400 -5.419 1.00 0.36 N ATOM 1951 CA THR B 51 2.869 7.064 -4.593 1.00 0.36 C ATOM 1952 C THR B 51 3.949 6.087 -4.151 1.00 0.33 C ATOM 1953 O THR B 51 5.122 6.439 -4.074 1.00 0.35 O ATOM 1954 CB THR B 51 2.234 7.723 -3.350 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.559 6.749 -2.538 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.254 8.802 -3.758 1.00 0.42 C ATOM 0 H THR B 51 0.957 6.304 -4.980 1.00 0.36 H new ATOM 0 HA THR B 51 3.318 7.845 -5.207 1.00 0.36 H new ATOM 0 HB THR B 51 3.040 8.171 -2.768 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.388 5.943 -3.068 1.00 0.46 H new ATOM 0 HG21 THR B 51 0.818 9.253 -2.867 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.774 9.567 -4.335 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.463 8.364 -4.367 1.00 0.42 H new ATOM 1964 N VAL B 52 3.545 4.859 -3.864 1.00 0.30 N ATOM 1965 CA VAL B 52 4.472 3.833 -3.417 1.00 0.28 C ATOM 1966 C VAL B 52 5.347 3.353 -4.559 1.00 0.28 C ATOM 1967 O VAL B 52 6.562 3.226 -4.407 1.00 0.29 O ATOM 1968 CB VAL B 52 3.708 2.648 -2.783 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.636 1.495 -2.460 1.00 0.31 C ATOM 1970 CG2 VAL B 52 2.977 3.096 -1.529 1.00 0.33 C ATOM 0 H VAL B 52 2.576 4.549 -3.934 1.00 0.30 H new ATOM 0 HA VAL B 52 5.119 4.273 -2.658 1.00 0.28 H new ATOM 0 HB VAL B 52 2.980 2.298 -3.515 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.064 0.681 -2.016 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.114 1.146 -3.375 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.399 1.828 -1.756 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.445 2.249 -1.096 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.697 3.480 -0.806 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.264 3.880 -1.784 1.00 0.33 H new ATOM 1980 N GLY B 53 4.722 3.103 -5.695 1.00 0.35 N ATOM 1981 CA GLY B 53 5.462 2.722 -6.875 1.00 0.43 C ATOM 1982 C GLY B 53 6.558 3.718 -7.184 1.00 0.39 C ATOM 1983 O GLY B 53 7.704 3.341 -7.434 1.00 0.39 O ATOM 0 H GLY B 53 3.711 3.157 -5.821 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.897 1.733 -6.730 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.783 2.650 -7.725 1.00 0.43 H new ATOM 1987 N ARG B 54 6.217 5.000 -7.140 1.00 0.39 N ATOM 1988 CA ARG B 54 7.190 6.045 -7.406 1.00 0.38 C ATOM 1989 C ARG B 54 8.079 6.365 -6.215 1.00 0.30 C ATOM 1990 O ARG B 54 9.120 6.995 -6.378 1.00 0.29 O ATOM 1991 CB ARG B 54 6.520 7.286 -7.969 1.00 0.50 C ATOM 1992 CG ARG B 54 6.057 7.067 -9.397 1.00 1.18 C ATOM 1993 CD ARG B 54 4.725 7.736 -9.678 1.00 1.37 C ATOM 1994 NE ARG B 54 4.863 9.172 -9.902 1.00 1.71 N ATOM 1995 CZ ARG B 54 3.879 10.054 -9.735 1.00 2.21 C ATOM 1996 NH1 ARG B 54 2.700 9.658 -9.265 1.00 2.36 N ATOM 1997 NH2 ARG B 54 4.079 11.329 -10.036 1.00 2.84 N ATOM 0 H ARG B 54 5.279 5.337 -6.924 1.00 0.39 H new ATOM 0 HA ARG B 54 7.863 5.651 -8.168 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.667 7.555 -7.346 1.00 0.50 H new ATOM 0 HB3 ARG B 54 7.216 8.124 -7.935 1.00 0.50 H new ATOM 0 HG2 ARG B 54 6.809 7.456 -10.084 1.00 1.18 H new ATOM 0 HG3 ARG B 54 5.972 5.997 -9.589 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.268 7.276 -10.554 1.00 1.37 H new ATOM 0 HD3 ARG B 54 4.051 7.564 -8.839 1.00 1.37 H new ATOM 0 HE ARG B 54 5.771 9.522 -10.206 1.00 1.71 H new ATOM 0 HH11 ARG B 54 2.548 8.677 -9.031 1.00 2.36 H new ATOM 0 HH12 ARG B 54 1.948 10.335 -9.138 1.00 2.36 H new ATOM 0 HH21 ARG B 54 4.984 11.632 -10.394 1.00 2.84 H new ATOM 0 HH22 ARG B 54 3.327 12.007 -9.909 1.00 2.84 H new ATOM 2011 N MET B 55 7.689 5.950 -5.022 1.00 0.30 N ATOM 2012 CA MET B 55 8.588 6.066 -3.885 1.00 0.29 C ATOM 2013 C MET B 55 9.731 5.081 -4.073 1.00 0.25 C ATOM 2014 O MET B 55 10.886 5.373 -3.763 1.00 0.26 O ATOM 2015 CB MET B 55 7.871 5.811 -2.558 1.00 0.31 C ATOM 2016 CG MET B 55 8.755 6.082 -1.352 1.00 0.33 C ATOM 2017 SD MET B 55 9.373 7.775 -1.323 1.00 0.76 S ATOM 2018 CE MET B 55 10.554 7.673 0.017 1.00 0.39 C ATOM 0 H MET B 55 6.778 5.539 -4.817 1.00 0.30 H new ATOM 0 HA MET B 55 8.970 7.086 -3.842 1.00 0.29 H new ATOM 0 HB2 MET B 55 6.984 6.442 -2.502 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.529 4.776 -2.527 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.191 5.888 -0.440 1.00 0.33 H new ATOM 0 HG3 MET B 55 9.597 5.390 -1.359 1.00 0.33 H new ATOM 0 HE1 MET B 55 10.613 8.636 0.524 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.235 6.908 0.725 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.535 7.412 -0.381 1.00 0.39 H new ATOM 2028 N VAL B 56 9.391 3.918 -4.617 1.00 0.25 N ATOM 2029 CA VAL B 56 10.388 2.949 -5.035 1.00 0.25 C ATOM 2030 C VAL B 56 11.224 3.540 -6.163 1.00 0.23 C ATOM 2031 O VAL B 56 12.438 3.358 -6.212 1.00 0.23 O ATOM 2032 CB VAL B 56 9.734 1.632 -5.507 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.787 0.638 -5.972 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.889 1.032 -4.393 1.00 0.34 C ATOM 0 H VAL B 56 8.427 3.626 -4.778 1.00 0.25 H new ATOM 0 HA VAL B 56 11.022 2.720 -4.179 1.00 0.25 H new ATOM 0 HB VAL B 56 9.086 1.858 -6.354 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.301 -0.281 -6.299 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.350 1.066 -6.802 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.466 0.416 -5.149 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.434 0.104 -4.741 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.520 0.825 -3.529 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.106 1.736 -4.111 1.00 0.34 H new ATOM 2044 N THR B 57 10.565 4.282 -7.051 1.00 0.24 N ATOM 2045 CA THR B 57 11.255 4.965 -8.134 1.00 0.27 C ATOM 2046 C THR B 57 12.250 5.984 -7.575 1.00 0.26 C ATOM 2047 O THR B 57 13.344 6.147 -8.107 1.00 0.30 O ATOM 2048 CB THR B 57 10.275 5.678 -9.078 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.186 4.804 -9.399 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.967 6.110 -10.363 1.00 0.43 C ATOM 0 H THR B 57 9.555 4.423 -7.039 1.00 0.24 H new ATOM 0 HA THR B 57 11.787 4.204 -8.705 1.00 0.27 H new ATOM 0 HB THR B 57 9.901 6.566 -8.568 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.563 5.264 -10.000 1.00 0.37 H new ATOM 0 HG21 THR B 57 10.249 6.612 -11.012 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.781 6.794 -10.125 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.367 5.234 -10.873 1.00 0.43 H new ATOM 2058 N SER B 58 11.864 6.655 -6.493 1.00 0.31 N ATOM 2059 CA SER B 58 12.738 7.620 -5.832 1.00 0.37 C ATOM 2060 C SER B 58 14.003 6.941 -5.292 1.00 0.30 C ATOM 2061 O SER B 58 15.078 7.533 -5.276 1.00 0.38 O ATOM 2062 CB SER B 58 11.995 8.343 -4.705 1.00 0.49 C ATOM 2063 OG SER B 58 12.741 9.454 -4.236 1.00 1.23 O ATOM 0 H SER B 58 10.949 6.548 -6.054 1.00 0.31 H new ATOM 0 HA SER B 58 13.041 8.358 -6.575 1.00 0.37 H new ATOM 0 HB2 SER B 58 11.022 8.679 -5.063 1.00 0.49 H new ATOM 0 HB3 SER B 58 11.811 7.651 -3.883 1.00 0.49 H new ATOM 0 HG SER B 58 13.258 9.836 -4.975 1.00 1.23 H new ATOM 2069 N LEU B 59 13.876 5.708 -4.828 1.00 0.24 N ATOM 2070 CA LEU B 59 15.047 4.923 -4.434 1.00 0.25 C ATOM 2071 C LEU B 59 15.822 4.477 -5.675 1.00 0.21 C ATOM 2072 O LEU B 59 17.044 4.356 -5.659 1.00 0.27 O ATOM 2073 CB LEU B 59 14.627 3.694 -3.617 1.00 0.37 C ATOM 2074 CG LEU B 59 14.432 3.905 -2.108 1.00 0.37 C ATOM 2075 CD1 LEU B 59 13.509 5.079 -1.816 1.00 1.38 C ATOM 2076 CD2 LEU B 59 13.876 2.637 -1.490 1.00 1.37 C ATOM 0 H LEU B 59 12.984 5.227 -4.714 1.00 0.24 H new ATOM 0 HA LEU B 59 15.687 5.551 -3.815 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.694 3.312 -4.031 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.379 2.918 -3.758 1.00 0.37 H new ATOM 0 HG LEU B 59 15.402 4.137 -1.669 1.00 0.37 H new ATOM 0 HD11 LEU B 59 13.397 5.195 -0.738 1.00 1.38 H new ATOM 0 HD12 LEU B 59 13.935 5.990 -2.236 1.00 1.38 H new ATOM 0 HD13 LEU B 59 12.533 4.895 -2.264 1.00 1.38 H new ATOM 0 HD21 LEU B 59 13.737 2.785 -0.419 1.00 1.37 H new ATOM 0 HD22 LEU B 59 12.918 2.398 -1.951 1.00 1.37 H new ATOM 0 HD23 LEU B 59 14.573 1.816 -1.655 1.00 1.37 H new ATOM 2088 N LEU B 60 15.086 4.264 -6.755 1.00 0.19 N ATOM 2089 CA LEU B 60 15.632 3.716 -7.992 1.00 0.24 C ATOM 2090 C LEU B 60 16.332 4.768 -8.857 1.00 0.27 C ATOM 2091 O LEU B 60 16.958 4.430 -9.865 1.00 0.32 O ATOM 2092 CB LEU B 60 14.504 3.062 -8.790 1.00 0.26 C ATOM 2093 CG LEU B 60 14.122 1.646 -8.354 1.00 0.46 C ATOM 2094 CD1 LEU B 60 12.917 1.160 -9.141 1.00 1.29 C ATOM 2095 CD2 LEU B 60 15.298 0.697 -8.535 1.00 0.57 C ATOM 0 H LEU B 60 14.087 4.467 -6.800 1.00 0.19 H new ATOM 0 HA LEU B 60 16.389 2.982 -7.716 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.620 3.695 -8.721 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.795 3.034 -9.840 1.00 0.26 H new ATOM 0 HG LEU B 60 13.859 1.667 -7.296 1.00 0.46 H new ATOM 0 HD11 LEU B 60 12.656 0.151 -8.821 1.00 1.29 H new ATOM 0 HD12 LEU B 60 12.073 1.827 -8.963 1.00 1.29 H new ATOM 0 HD13 LEU B 60 13.156 1.153 -10.204 1.00 1.29 H new ATOM 0 HD21 LEU B 60 15.008 -0.305 -8.220 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.591 0.677 -9.585 1.00 0.57 H new ATOM 0 HD23 LEU B 60 16.138 1.039 -7.930 1.00 0.57 H new ATOM 2107 N GLU B 61 16.229 6.033 -8.480 1.00 0.27 N ATOM 2108 CA GLU B 61 16.834 7.107 -9.265 1.00 0.33 C ATOM 2109 C GLU B 61 18.217 7.478 -8.736 1.00 0.36 C ATOM 2110 O GLU B 61 18.704 8.584 -8.975 1.00 0.43 O ATOM 2111 CB GLU B 61 15.932 8.344 -9.282 1.00 0.37 C ATOM 2112 CG GLU B 61 15.323 8.653 -7.930 1.00 1.02 C ATOM 2113 CD GLU B 61 15.017 10.119 -7.719 1.00 2.03 C ATOM 2114 OE1 GLU B 61 15.429 10.947 -8.558 1.00 2.59 O ATOM 2115 OE2 GLU B 61 14.379 10.455 -6.696 1.00 2.79 O ATOM 0 H GLU B 61 15.737 6.344 -7.642 1.00 0.27 H new ATOM 0 HA GLU B 61 16.947 6.738 -10.284 1.00 0.33 H new ATOM 0 HB2 GLU B 61 16.511 9.204 -9.618 1.00 0.37 H new ATOM 0 HB3 GLU B 61 15.133 8.194 -10.008 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.403 8.079 -7.817 1.00 1.02 H new ATOM 0 HG3 GLU B 61 16.006 8.318 -7.149 1.00 1.02 H new ATOM 2122 N LYS B 62 18.859 6.554 -8.034 1.00 0.36 N ATOM 2123 CA LYS B 62 20.199 6.790 -7.516 1.00 0.40 C ATOM 2124 C LYS B 62 20.960 5.480 -7.351 1.00 0.35 C ATOM 2125 O LYS B 62 20.557 4.595 -6.597 1.00 0.30 O ATOM 2126 CB LYS B 62 20.157 7.586 -6.213 1.00 0.48 C ATOM 2127 CG LYS B 62 19.071 7.157 -5.252 1.00 0.51 C ATOM 2128 CD LYS B 62 18.667 8.327 -4.381 1.00 0.76 C ATOM 2129 CE LYS B 62 17.441 8.022 -3.542 1.00 0.83 C ATOM 2130 NZ LYS B 62 16.968 9.226 -2.809 1.00 0.91 N ATOM 0 H LYS B 62 18.474 5.636 -7.811 1.00 0.36 H new ATOM 0 HA LYS B 62 20.739 7.393 -8.246 1.00 0.40 H new ATOM 0 HB2 LYS B 62 21.122 7.495 -5.715 1.00 0.48 H new ATOM 0 HB3 LYS B 62 20.019 8.641 -6.450 1.00 0.48 H new ATOM 0 HG2 LYS B 62 18.207 6.788 -5.806 1.00 0.51 H new ATOM 0 HG3 LYS B 62 19.426 6.335 -4.631 1.00 0.51 H new ATOM 0 HD2 LYS B 62 19.496 8.593 -3.726 1.00 0.76 H new ATOM 0 HD3 LYS B 62 18.467 9.194 -5.010 1.00 0.76 H new ATOM 0 HE2 LYS B 62 16.643 7.649 -4.184 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.674 7.230 -2.830 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 17.285 9.177 -1.820 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 17.359 10.080 -3.255 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 15.929 9.265 -2.839 1.00 0.91 H new ATOM 2144 N PRO B 63 22.082 5.362 -8.081 1.00 0.46 N ATOM 2145 CA PRO B 63 22.830 4.106 -8.242 1.00 0.48 C ATOM 2146 C PRO B 63 23.281 3.459 -6.935 1.00 0.41 C ATOM 2147 O PRO B 63 23.194 2.240 -6.791 1.00 0.40 O ATOM 2148 CB PRO B 63 24.051 4.509 -9.074 1.00 0.59 C ATOM 2149 CG PRO B 63 23.663 5.776 -9.751 1.00 0.94 C ATOM 2150 CD PRO B 63 22.711 6.469 -8.823 1.00 0.65 C ATOM 0 HA PRO B 63 22.193 3.350 -8.702 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.928 4.653 -8.442 1.00 0.59 H new ATOM 0 HB3 PRO B 63 24.305 3.737 -9.800 1.00 0.59 H new ATOM 0 HG2 PRO B 63 24.537 6.397 -9.947 1.00 0.94 H new ATOM 0 HG3 PRO B 63 23.192 5.575 -10.713 1.00 0.94 H new ATOM 0 HD2 PRO B 63 23.231 7.155 -8.155 1.00 0.65 H new ATOM 0 HD3 PRO B 63 21.973 7.055 -9.370 1.00 0.65 H new ATOM 2158 N SER B 64 23.773 4.260 -5.997 1.00 0.40 N ATOM 2159 CA SER B 64 24.265 3.731 -4.729 1.00 0.37 C ATOM 2160 C SER B 64 23.141 3.030 -3.970 1.00 0.34 C ATOM 2161 O SER B 64 23.296 1.899 -3.506 1.00 0.38 O ATOM 2162 CB SER B 64 24.860 4.857 -3.883 1.00 0.39 C ATOM 2163 OG SER B 64 25.871 5.555 -4.593 1.00 1.25 O ATOM 0 H SER B 64 23.842 5.274 -6.089 1.00 0.40 H new ATOM 0 HA SER B 64 25.047 3.000 -4.936 1.00 0.37 H new ATOM 0 HB2 SER B 64 24.072 5.551 -3.591 1.00 0.39 H new ATOM 0 HB3 SER B 64 25.277 4.444 -2.965 1.00 0.39 H new ATOM 0 HG SER B 64 26.232 6.270 -4.029 1.00 1.25 H new ATOM 2169 N VAL B 65 22.009 3.713 -3.862 1.00 0.30 N ATOM 2170 CA VAL B 65 20.822 3.157 -3.224 1.00 0.30 C ATOM 2171 C VAL B 65 20.369 1.876 -3.919 1.00 0.29 C ATOM 2172 O VAL B 65 20.132 0.857 -3.265 1.00 0.30 O ATOM 2173 CB VAL B 65 19.670 4.182 -3.226 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.375 3.561 -2.736 1.00 0.38 C ATOM 2175 CG2 VAL B 65 20.036 5.380 -2.371 1.00 0.33 C ATOM 0 H VAL B 65 21.887 4.663 -4.212 1.00 0.30 H new ATOM 0 HA VAL B 65 21.087 2.919 -2.194 1.00 0.30 H new ATOM 0 HB VAL B 65 19.514 4.511 -4.253 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.584 4.311 -2.750 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.100 2.731 -3.387 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.509 3.194 -1.718 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.215 6.097 -2.380 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.222 5.054 -1.348 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.934 5.851 -2.770 1.00 0.33 H new ATOM 2185 N VAL B 66 20.274 1.929 -5.245 1.00 0.29 N ATOM 2186 CA VAL B 66 19.862 0.768 -6.029 1.00 0.30 C ATOM 2187 C VAL B 66 20.790 -0.416 -5.773 1.00 0.30 C ATOM 2188 O VAL B 66 20.331 -1.510 -5.446 1.00 0.30 O ATOM 2189 CB VAL B 66 19.846 1.077 -7.544 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.435 -0.149 -8.349 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.918 2.242 -7.845 1.00 0.34 C ATOM 0 H VAL B 66 20.476 2.762 -5.798 1.00 0.29 H new ATOM 0 HA VAL B 66 18.850 0.516 -5.713 1.00 0.30 H new ATOM 0 HB VAL B 66 20.858 1.354 -7.839 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.432 0.097 -9.411 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.142 -0.958 -8.166 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.436 -0.464 -8.047 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.922 2.443 -8.916 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.906 1.993 -7.526 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.260 3.127 -7.309 1.00 0.34 H new ATOM 2201 N ALA B 67 22.092 -0.171 -5.890 1.00 0.33 N ATOM 2202 CA ALA B 67 23.096 -1.222 -5.756 1.00 0.35 C ATOM 2203 C ALA B 67 23.012 -1.924 -4.411 1.00 0.32 C ATOM 2204 O ALA B 67 23.165 -3.135 -4.336 1.00 0.34 O ATOM 2205 CB ALA B 67 24.491 -0.662 -5.952 1.00 0.42 C ATOM 0 H ALA B 67 22.479 0.754 -6.079 1.00 0.33 H new ATOM 0 HA ALA B 67 22.889 -1.957 -6.534 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.223 -1.463 -5.848 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.571 -0.225 -6.947 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.684 0.105 -5.202 1.00 0.42 H new ATOM 2211 N TYR B 68 22.772 -1.168 -3.351 1.00 0.30 N ATOM 2212 CA TYR B 68 22.683 -1.747 -2.017 1.00 0.30 C ATOM 2213 C TYR B 68 21.478 -2.660 -1.880 1.00 0.30 C ATOM 2214 O TYR B 68 21.542 -3.686 -1.203 1.00 0.33 O ATOM 2215 CB TYR B 68 22.692 -0.665 -0.945 1.00 0.32 C ATOM 2216 CG TYR B 68 24.096 -0.336 -0.503 1.00 0.51 C ATOM 2217 CD1 TYR B 68 24.698 -1.056 0.520 1.00 1.06 C ATOM 2218 CD2 TYR B 68 24.830 0.665 -1.124 1.00 1.31 C ATOM 2219 CE1 TYR B 68 25.994 -0.783 0.915 1.00 1.28 C ATOM 2220 CE2 TYR B 68 26.125 0.940 -0.739 1.00 1.54 C ATOM 2221 CZ TYR B 68 26.702 0.214 0.281 1.00 1.19 C ATOM 2222 OH TYR B 68 27.993 0.491 0.672 1.00 1.55 O ATOM 0 H TYR B 68 22.636 -0.158 -3.386 1.00 0.30 H new ATOM 0 HA TYR B 68 23.569 -2.364 -1.869 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.211 0.234 -1.330 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.108 -0.997 -0.087 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.145 -1.841 1.015 1.00 1.06 H new ATOM 0 HD2 TYR B 68 24.380 1.238 -1.921 1.00 1.31 H new ATOM 0 HE1 TYR B 68 26.449 -1.348 1.716 1.00 1.28 H new ATOM 0 HE2 TYR B 68 26.684 1.720 -1.234 1.00 1.54 H new ATOM 0 HH TYR B 68 28.351 1.220 0.124 1.00 1.55 H new ATOM 2232 N LEU B 69 20.388 -2.293 -2.531 1.00 0.28 N ATOM 2233 CA LEU B 69 19.184 -3.109 -2.521 1.00 0.29 C ATOM 2234 C LEU B 69 19.430 -4.455 -3.202 1.00 0.31 C ATOM 2235 O LEU B 69 19.058 -5.507 -2.680 1.00 0.34 O ATOM 2236 CB LEU B 69 18.044 -2.363 -3.212 1.00 0.28 C ATOM 2237 CG LEU B 69 17.677 -1.040 -2.564 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.752 -0.233 -3.458 1.00 0.30 C ATOM 2239 CD2 LEU B 69 17.040 -1.273 -1.202 1.00 0.33 C ATOM 0 H LEU B 69 20.311 -1.433 -3.075 1.00 0.28 H new ATOM 0 HA LEU B 69 18.906 -3.302 -1.485 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.322 -2.181 -4.250 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.162 -3.004 -3.226 1.00 0.28 H new ATOM 0 HG LEU B 69 18.593 -0.466 -2.424 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.505 0.710 -2.970 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.248 -0.031 -4.407 1.00 0.30 H new ATOM 0 HD13 LEU B 69 15.838 -0.798 -3.640 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.783 -0.314 -0.752 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.137 -1.872 -1.320 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.743 -1.800 -0.557 1.00 0.33 H new ATOM 2251 N GLU B 70 20.051 -4.428 -4.367 1.00 0.32 N ATOM 2252 CA GLU B 70 20.335 -5.658 -5.096 1.00 0.39 C ATOM 2253 C GLU B 70 21.527 -6.381 -4.511 1.00 0.44 C ATOM 2254 O GLU B 70 21.654 -7.602 -4.616 1.00 0.53 O ATOM 2255 CB GLU B 70 20.579 -5.369 -6.567 1.00 0.44 C ATOM 2256 CG GLU B 70 21.130 -3.985 -6.841 1.00 0.45 C ATOM 2257 CD GLU B 70 21.451 -3.766 -8.303 1.00 0.56 C ATOM 2258 OE1 GLU B 70 20.899 -4.500 -9.152 1.00 1.15 O ATOM 2259 OE2 GLU B 70 22.265 -2.872 -8.612 1.00 1.32 O ATOM 0 H GLU B 70 20.368 -3.576 -4.829 1.00 0.32 H new ATOM 0 HA GLU B 70 19.461 -6.302 -5.002 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.274 -6.110 -6.962 1.00 0.44 H new ATOM 0 HB3 GLU B 70 19.642 -5.490 -7.111 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.405 -3.238 -6.516 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.032 -3.833 -6.248 1.00 0.45 H new ATOM 2266 N GLY B 71 22.395 -5.614 -3.897 1.00 0.44 N ATOM 2267 CA GLY B 71 23.560 -6.166 -3.270 1.00 0.53 C ATOM 2268 C GLY B 71 24.759 -6.164 -4.186 1.00 0.65 C ATOM 2269 O GLY B 71 25.605 -7.057 -4.125 1.00 0.79 O ATOM 0 H GLY B 71 22.311 -4.600 -3.821 1.00 0.44 H new ATOM 0 HA2 GLY B 71 23.791 -5.594 -2.371 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.350 -7.187 -2.953 1.00 0.53 H new ATOM 2273 N LYS B 72 24.825 -5.161 -5.037 1.00 0.69 N ATOM 2274 CA LYS B 72 25.898 -5.042 -6.000 1.00 0.93 C ATOM 2275 C LYS B 72 27.035 -4.216 -5.420 1.00 1.13 C ATOM 2276 O LYS B 72 28.093 -4.803 -5.112 1.00 1.49 O ATOM 2277 CB LYS B 72 25.379 -4.423 -7.299 1.00 1.21 C ATOM 2278 CG LYS B 72 24.354 -5.292 -8.007 1.00 1.13 C ATOM 2279 CD LYS B 72 24.922 -6.655 -8.360 1.00 1.47 C ATOM 2280 CE LYS B 72 23.866 -7.553 -8.979 1.00 1.99 C ATOM 2281 NZ LYS B 72 24.418 -8.884 -9.337 1.00 2.58 N ATOM 2282 OXT LYS B 72 26.862 -2.997 -5.242 1.00 1.80 O ATOM 0 H LYS B 72 24.138 -4.408 -5.080 1.00 0.69 H new ATOM 0 HA LYS B 72 26.281 -6.037 -6.228 1.00 0.93 H new ATOM 0 HB2 LYS B 72 24.934 -3.453 -7.079 1.00 1.21 H new ATOM 0 HB3 LYS B 72 26.219 -4.244 -7.970 1.00 1.21 H new ATOM 0 HG2 LYS B 72 23.479 -5.416 -7.369 1.00 1.13 H new ATOM 0 HG3 LYS B 72 24.018 -4.792 -8.915 1.00 1.13 H new ATOM 0 HD2 LYS B 72 25.753 -6.535 -9.055 1.00 1.47 H new ATOM 0 HD3 LYS B 72 25.323 -7.127 -7.463 1.00 1.47 H new ATOM 0 HE2 LYS B 72 23.039 -7.678 -8.280 1.00 1.99 H new ATOM 0 HE3 LYS B 72 23.460 -7.076 -9.871 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 23.668 -9.469 -9.757 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 25.190 -8.766 -10.023 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 24.783 -9.350 -8.482 1.00 2.58 H new