USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot 15:sc= 0 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -2.98! C(o=-1.6!,f=-2.7!) USER MOD Set 1.3: A 112 SER OG : rot -88:sc= 0.125 USER MOD Set 1.4: A 201 CHO O3 : rot 169:sc= 1.27 USER MOD Set 2.1: A 52 HIS : no HD1:sc= 1.04 K(o=2.3,f=-0.5) USER MOD Set 2.2: A 58 THR OG1 : rot 118:sc= 1.23 USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 GLN :FLIP amide:sc= -0.928 F(o=-1.6!,f=-0.93) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 176:sc= 1.23 (180deg=0.975) USER MOD Set 4.2: A 200 CHO OT2 : rot 166:sc= 0 USER MOD Set 5.1: A 10 SER OG : rot 171:sc= 0.368 USER MOD Set 5.2: A 122 THR OG1 : rot 90:sc= 0.468 USER MOD Set 6.1: A 1 ALA N :NH3+ 174:sc= -0.126 (180deg=-0.128) USER MOD Set 6.2: A 3 THR OG1 : rot 180:sc= -2.2! USER MOD Set 6.3: A 42 GLN : amide:sc= 0 K(o=-2.3,f=-3.5) USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= 1.19 (180deg=-0.136) USER MOD Single : A 6 TYR OH : rot 4:sc= 0.973 USER MOD Single : A 13 ASN : amide:sc= 0.907 K(o=0.91,f=-1.9!) USER MOD Single : A 14 TYR OH : rot 29:sc= 0.298 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -114:sc= -0.428 (180deg=-0.713) USER MOD Single : A 33 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 34 CYS SG : rot 177:sc= 0.915 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc=-0.00869 K(o=-0.0087,f=-1.2) USER MOD Single : A 45 ASN : amide:sc= -0.562 K(o=-0.56,f=-1.1) USER MOD Single : A 48 THR OG1 : rot 130:sc= 0.91 USER MOD Single : A 50 THR OG1 : rot 87:sc= 0.525 USER MOD Single : A 59 THR OG1 : rot 76:sc= -1.04 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 61 ASN : amide:sc= -6.84! C(o=-6.8!,f=-9.5!) USER MOD Single : A 62 SER OG : rot 30:sc= 0.0328 USER MOD Single : A 64 THR OG1 : rot 9:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ -135:sc= 1.25 (180deg=-0.362) USER MOD Single : A 71 MET CE :methyl -154:sc= -3.11 (180deg=-5.63!) USER MOD Single : A 73 THR OG1 : rot 146:sc= 1.01 USER MOD Single : A 74 MET CE :methyl -167:sc= -0.169 (180deg=-0.256) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.228) USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.736) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 176:sc= -1.2 (180deg=-1.24) USER MOD Single : A 89 LYS NZ :NH3+ -118:sc= 2.4 (180deg=-0.755) USER MOD Single : A 96 ASN : amide:sc= 0.114 K(o=0.11,f=-2.2) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0064) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -119:sc= 1.3 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 159:sc= 1.31 (180deg=1.17) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -137:sc= 0.114 (180deg=0) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO O7 : rot -50:sc= -4.99! USER MOD Single : A 201 CHO O7 : rot -36:sc= -2.9! USER MOD Single : A 201 CHO OT2 : rot -140:sc= -0.0184 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.991 -7.739 -4.019 1.00 1.11 N ATOM 2 CA ALA A 1 -13.881 -8.632 -4.417 1.00 0.53 C ATOM 3 C ALA A 1 -12.559 -8.162 -3.817 1.00 0.42 C ATOM 4 O ALA A 1 -11.518 -8.777 -4.035 1.00 0.51 O ATOM 5 CB ALA A 1 -13.780 -8.711 -5.935 1.00 1.00 C ATOM 0 H1 ALA A 1 -15.858 -8.019 -4.520 1.00 1.11 H new ATOM 0 H2 ALA A 1 -15.145 -7.812 -2.993 1.00 1.11 H new ATOM 0 H3 ALA A 1 -14.752 -6.757 -4.264 1.00 1.11 H new ATOM 0 HA ALA A 1 -14.092 -9.629 -4.030 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -12.958 -9.372 -6.211 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -14.713 -9.102 -6.342 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -13.597 -7.716 -6.340 1.00 1.00 H new ATOM 11 N PHE A 2 -12.601 -7.063 -3.064 1.00 0.35 N ATOM 12 CA PHE A 2 -11.397 -6.521 -2.438 1.00 0.27 C ATOM 13 C PHE A 2 -11.041 -7.262 -1.150 1.00 0.23 C ATOM 14 O PHE A 2 -9.876 -7.292 -0.755 1.00 0.25 O ATOM 15 CB PHE A 2 -11.583 -5.034 -2.133 1.00 0.33 C ATOM 16 CG PHE A 2 -11.085 -4.121 -3.220 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.726 -3.907 -3.395 1.00 1.22 C ATOM 18 CD2 PHE A 2 -11.974 -3.472 -4.061 1.00 1.24 C ATOM 19 CE1 PHE A 2 -9.267 -3.061 -4.389 1.00 1.23 C ATOM 20 CE2 PHE A 2 -11.520 -2.627 -5.055 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.166 -2.421 -5.219 1.00 0.36 C ATOM 0 H PHE A 2 -13.452 -6.533 -2.874 1.00 0.35 H new ATOM 0 HA PHE A 2 -10.577 -6.655 -3.144 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.642 -4.838 -1.964 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -11.063 -4.796 -1.205 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -9.019 -4.406 -2.749 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -13.035 -3.629 -3.938 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -8.206 -2.901 -4.516 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -12.225 -2.128 -5.703 1.00 1.24 H new ATOM 0 HZ PHE A 2 -9.810 -1.760 -5.995 1.00 0.36 H new ATOM 31 N THR A 3 -12.040 -7.851 -0.507 1.00 0.20 N ATOM 32 CA THR A 3 -11.836 -8.566 0.742 1.00 0.19 C ATOM 33 C THR A 3 -10.893 -9.746 0.589 1.00 0.19 C ATOM 34 O THR A 3 -10.948 -10.483 -0.400 1.00 0.26 O ATOM 35 CB THR A 3 -13.162 -9.088 1.308 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.252 -8.298 0.815 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.126 -9.049 2.824 1.00 0.26 C ATOM 0 H THR A 3 -13.006 -7.846 -0.834 1.00 0.20 H new ATOM 0 HA THR A 3 -11.392 -7.842 1.425 1.00 0.19 H new ATOM 0 HB THR A 3 -13.306 -10.119 0.986 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.095 -8.639 1.180 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.071 -9.421 3.220 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.310 -9.675 3.185 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.971 -8.023 3.158 1.00 0.26 H new ATOM 45 N GLY A 4 -10.050 -9.939 1.588 1.00 0.19 N ATOM 46 CA GLY A 4 -9.122 -11.037 1.559 1.00 0.21 C ATOM 47 C GLY A 4 -7.732 -10.642 1.984 1.00 0.19 C ATOM 48 O GLY A 4 -7.412 -9.457 2.070 1.00 0.21 O ATOM 0 H GLY A 4 -9.995 -9.351 2.420 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.485 -11.830 2.213 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.085 -11.448 0.550 1.00 0.21 H new ATOM 52 N LYS A 5 -6.920 -11.638 2.282 1.00 0.20 N ATOM 53 CA LYS A 5 -5.542 -11.399 2.663 1.00 0.20 C ATOM 54 C LYS A 5 -4.676 -11.510 1.409 1.00 0.18 C ATOM 55 O LYS A 5 -4.924 -12.355 0.546 1.00 0.19 O ATOM 56 CB LYS A 5 -5.099 -12.387 3.757 1.00 0.23 C ATOM 57 CG LYS A 5 -4.061 -13.400 3.312 1.00 0.28 C ATOM 58 CD LYS A 5 -4.021 -14.623 4.218 1.00 0.31 C ATOM 59 CE LYS A 5 -3.725 -14.262 5.663 1.00 0.56 C ATOM 60 NZ LYS A 5 -4.920 -14.432 6.534 1.00 1.54 N ATOM 0 H LYS A 5 -7.191 -12.621 2.267 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.433 -10.400 3.086 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.698 -11.821 4.598 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.976 -12.922 4.122 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.278 -13.714 2.291 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.079 -12.928 3.299 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.977 -15.143 4.165 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.261 -15.316 3.856 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.913 -14.887 6.034 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.381 -13.229 5.716 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -4.614 -14.646 7.505 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -5.479 -13.555 6.532 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -5.503 -15.215 6.175 1.00 1.54 H new ATOM 74 N TYR A 6 -3.693 -10.640 1.290 1.00 0.19 N ATOM 75 CA TYR A 6 -2.825 -10.627 0.123 1.00 0.19 C ATOM 76 C TYR A 6 -1.365 -10.701 0.526 1.00 0.19 C ATOM 77 O TYR A 6 -0.979 -10.195 1.573 1.00 0.23 O ATOM 78 CB TYR A 6 -3.069 -9.356 -0.697 1.00 0.22 C ATOM 79 CG TYR A 6 -4.487 -9.217 -1.203 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.455 -8.587 -0.433 1.00 1.25 C ATOM 81 CD2 TYR A 6 -4.856 -9.709 -2.447 1.00 1.14 C ATOM 82 CE1 TYR A 6 -6.752 -8.454 -0.887 1.00 1.29 C ATOM 83 CE2 TYR A 6 -6.152 -9.579 -2.908 1.00 1.13 C ATOM 84 CZ TYR A 6 -7.093 -8.950 -2.125 1.00 0.35 C ATOM 85 OH TYR A 6 -8.384 -8.824 -2.579 1.00 0.44 O ATOM 0 H TYR A 6 -3.473 -9.930 1.988 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.060 -11.503 -0.482 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.825 -8.488 -0.085 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.387 -9.348 -1.548 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -5.189 -8.194 0.537 1.00 1.25 H new ATOM 0 HD2 TYR A 6 -4.119 -10.201 -3.064 1.00 1.14 H new ATOM 0 HE1 TYR A 6 -7.494 -7.964 -0.275 1.00 1.29 H new ATOM 0 HE2 TYR A 6 -6.425 -9.969 -3.877 1.00 1.13 H new ATOM 0 HH TYR A 6 -8.908 -8.304 -1.934 1.00 0.44 H new ATOM 95 N GLU A 7 -0.559 -11.341 -0.300 1.00 0.19 N ATOM 96 CA GLU A 7 0.864 -11.449 -0.030 1.00 0.21 C ATOM 97 C GLU A 7 1.662 -11.055 -1.264 1.00 0.19 C ATOM 98 O GLU A 7 1.174 -11.184 -2.389 1.00 0.22 O ATOM 99 CB GLU A 7 1.246 -12.864 0.414 1.00 0.26 C ATOM 100 CG GLU A 7 0.901 -13.168 1.865 1.00 0.33 C ATOM 101 CD GLU A 7 1.553 -14.438 2.379 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.852 -15.336 1.564 1.00 1.20 O ATOM 103 OE2 GLU A 7 1.768 -14.546 3.609 1.00 1.41 O ATOM 0 H GLU A 7 -0.863 -11.793 -1.162 1.00 0.19 H new ATOM 0 HA GLU A 7 1.102 -10.767 0.786 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.740 -13.585 -0.228 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.317 -13.003 0.268 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.211 -12.330 2.489 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.181 -13.257 1.964 1.00 0.33 H new ATOM 110 N PHE A 8 2.877 -10.572 -1.030 1.00 0.23 N ATOM 111 CA PHE A 8 3.785 -10.138 -2.092 1.00 0.25 C ATOM 112 C PHE A 8 3.875 -11.168 -3.219 1.00 0.24 C ATOM 113 O PHE A 8 4.322 -12.297 -3.013 1.00 0.33 O ATOM 114 CB PHE A 8 5.181 -9.892 -1.502 1.00 0.33 C ATOM 115 CG PHE A 8 6.113 -9.096 -2.384 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.614 -9.630 -3.563 1.00 1.32 C ATOM 117 CD2 PHE A 8 6.499 -7.813 -2.021 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.477 -8.905 -4.361 1.00 1.57 C ATOM 119 CE2 PHE A 8 7.362 -7.082 -2.818 1.00 1.86 C ATOM 120 CZ PHE A 8 7.852 -7.629 -3.985 1.00 1.49 C ATOM 0 H PHE A 8 3.265 -10.469 -0.092 1.00 0.23 H new ATOM 0 HA PHE A 8 3.389 -9.216 -2.517 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.071 -9.371 -0.551 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.643 -10.855 -1.286 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.325 -10.627 -3.861 1.00 1.32 H new ATOM 0 HD2 PHE A 8 6.121 -7.381 -1.106 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.858 -9.334 -5.276 1.00 1.57 H new ATOM 0 HE2 PHE A 8 7.652 -6.083 -2.526 1.00 1.86 H new ATOM 0 HZ PHE A 8 8.529 -7.060 -4.605 1.00 1.49 H new ATOM 130 N GLU A 9 3.438 -10.769 -4.404 1.00 0.25 N ATOM 131 CA GLU A 9 3.481 -11.639 -5.570 1.00 0.26 C ATOM 132 C GLU A 9 4.438 -11.079 -6.616 1.00 0.28 C ATOM 133 O GLU A 9 5.197 -11.823 -7.239 1.00 0.34 O ATOM 134 CB GLU A 9 2.080 -11.795 -6.173 1.00 0.27 C ATOM 135 CG GLU A 9 2.017 -12.768 -7.340 1.00 0.35 C ATOM 136 CD GLU A 9 1.823 -14.198 -6.888 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.744 -14.752 -6.248 1.00 1.19 O ATOM 138 OE2 GLU A 9 0.752 -14.780 -7.173 1.00 1.46 O ATOM 0 H GLU A 9 3.048 -9.844 -4.584 1.00 0.25 H new ATOM 0 HA GLU A 9 3.839 -12.619 -5.254 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.395 -12.132 -5.395 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.728 -10.819 -6.507 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.199 -12.485 -8.002 1.00 0.35 H new ATOM 0 HG3 GLU A 9 2.937 -12.695 -7.921 1.00 0.35 H new ATOM 145 N SER A 10 4.410 -9.765 -6.797 1.00 0.26 N ATOM 146 CA SER A 10 5.267 -9.123 -7.782 1.00 0.29 C ATOM 147 C SER A 10 5.497 -7.655 -7.435 1.00 0.27 C ATOM 148 O SER A 10 4.828 -7.108 -6.555 1.00 0.32 O ATOM 149 CB SER A 10 4.621 -9.240 -9.165 1.00 0.34 C ATOM 150 OG SER A 10 3.937 -8.050 -9.530 1.00 1.01 O ATOM 0 H SER A 10 3.807 -9.127 -6.278 1.00 0.26 H new ATOM 0 HA SER A 10 6.235 -9.623 -7.783 1.00 0.29 H new ATOM 0 HB2 SER A 10 5.388 -9.460 -9.907 1.00 0.34 H new ATOM 0 HB3 SER A 10 3.923 -10.077 -9.170 1.00 0.34 H new ATOM 0 HG SER A 10 3.663 -8.105 -10.469 1.00 1.01 H new ATOM 156 N ASP A 11 6.435 -7.027 -8.141 1.00 0.28 N ATOM 157 CA ASP A 11 6.757 -5.619 -7.938 1.00 0.28 C ATOM 158 C ASP A 11 7.401 -5.046 -9.191 1.00 0.28 C ATOM 159 O ASP A 11 8.009 -5.775 -9.979 1.00 0.34 O ATOM 160 CB ASP A 11 7.702 -5.424 -6.742 1.00 0.32 C ATOM 161 CG ASP A 11 9.169 -5.598 -7.106 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.814 -4.605 -7.511 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.687 -6.725 -6.978 1.00 1.72 O ATOM 0 H ASP A 11 6.991 -7.479 -8.867 1.00 0.28 H new ATOM 0 HA ASP A 11 5.826 -5.093 -7.728 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.553 -4.427 -6.327 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.441 -6.137 -5.960 1.00 0.32 H new ATOM 168 N GLU A 12 7.236 -3.751 -9.386 1.00 0.26 N ATOM 169 CA GLU A 12 7.808 -3.063 -10.529 1.00 0.27 C ATOM 170 C GLU A 12 8.152 -1.629 -10.148 1.00 0.25 C ATOM 171 O GLU A 12 7.369 -0.956 -9.476 1.00 0.26 O ATOM 172 CB GLU A 12 6.836 -3.095 -11.707 1.00 0.32 C ATOM 173 CG GLU A 12 7.266 -2.253 -12.900 1.00 0.38 C ATOM 174 CD GLU A 12 6.336 -2.417 -14.083 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.264 -3.533 -14.637 1.00 1.00 O ATOM 176 OE2 GLU A 12 5.663 -1.437 -14.463 1.00 1.44 O ATOM 0 H GLU A 12 6.704 -3.148 -8.759 1.00 0.26 H new ATOM 0 HA GLU A 12 8.723 -3.571 -10.832 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.712 -4.128 -12.032 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.860 -2.749 -11.367 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.298 -1.203 -12.608 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.278 -2.533 -13.194 1.00 0.38 H new ATOM 183 N ASN A 13 9.326 -1.187 -10.584 1.00 0.25 N ATOM 184 CA ASN A 13 9.831 0.159 -10.300 1.00 0.25 C ATOM 185 C ASN A 13 10.050 0.358 -8.804 1.00 0.23 C ATOM 186 O ASN A 13 9.868 1.456 -8.280 1.00 0.30 O ATOM 187 CB ASN A 13 8.879 1.233 -10.831 1.00 0.29 C ATOM 188 CG ASN A 13 9.090 1.535 -12.303 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.164 1.293 -12.855 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.068 2.079 -12.947 1.00 0.84 N ATOM 0 H ASN A 13 9.961 -1.752 -11.148 1.00 0.25 H new ATOM 0 HA ASN A 13 10.788 0.259 -10.812 1.00 0.25 H new ATOM 0 HB2 ASN A 13 7.850 0.908 -10.676 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.014 2.148 -10.255 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.155 2.313 -13.936 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.195 2.264 -12.454 1.00 0.84 H new ATOM 197 N TYR A 14 10.461 -0.708 -8.125 1.00 0.23 N ATOM 198 CA TYR A 14 10.696 -0.660 -6.687 1.00 0.25 C ATOM 199 C TYR A 14 11.825 0.304 -6.328 1.00 0.23 C ATOM 200 O TYR A 14 11.616 1.261 -5.579 1.00 0.22 O ATOM 201 CB TYR A 14 11.039 -2.052 -6.152 1.00 0.32 C ATOM 202 CG TYR A 14 11.172 -2.098 -4.645 1.00 0.44 C ATOM 203 CD1 TYR A 14 10.063 -2.329 -3.839 1.00 1.30 C ATOM 204 CD2 TYR A 14 12.400 -1.898 -4.027 1.00 1.28 C ATOM 205 CE1 TYR A 14 10.178 -2.358 -2.462 1.00 1.36 C ATOM 206 CE2 TYR A 14 12.520 -1.923 -2.652 1.00 1.39 C ATOM 207 CZ TYR A 14 11.409 -2.154 -1.875 1.00 0.78 C ATOM 208 OH TYR A 14 11.525 -2.171 -0.508 1.00 0.98 O ATOM 0 H TYR A 14 10.639 -1.618 -8.550 1.00 0.23 H new ATOM 0 HA TYR A 14 9.775 -0.303 -6.226 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.265 -2.754 -6.463 1.00 0.32 H new ATOM 0 HB3 TYR A 14 11.973 -2.387 -6.603 1.00 0.32 H new ATOM 0 HD1 TYR A 14 9.097 -2.488 -4.296 1.00 1.30 H new ATOM 0 HD2 TYR A 14 13.276 -1.720 -4.633 1.00 1.28 H new ATOM 0 HE1 TYR A 14 9.308 -2.540 -1.849 1.00 1.36 H new ATOM 0 HE2 TYR A 14 13.482 -1.762 -2.188 1.00 1.39 H new ATOM 0 HH TYR A 14 10.838 -2.759 -0.129 1.00 0.98 H new ATOM 218 N ASP A 15 13.014 0.046 -6.865 1.00 0.25 N ATOM 219 CA ASP A 15 14.190 0.874 -6.569 1.00 0.26 C ATOM 220 C ASP A 15 13.977 2.316 -6.990 1.00 0.25 C ATOM 221 O ASP A 15 14.407 3.241 -6.300 1.00 0.26 O ATOM 222 CB ASP A 15 15.439 0.343 -7.259 1.00 0.33 C ATOM 223 CG ASP A 15 15.864 -1.012 -6.734 1.00 0.50 C ATOM 224 OD1 ASP A 15 16.432 -1.066 -5.623 1.00 1.30 O ATOM 225 OD2 ASP A 15 15.624 -2.025 -7.427 1.00 1.18 O ATOM 0 H ASP A 15 13.193 -0.727 -7.506 1.00 0.25 H new ATOM 0 HA ASP A 15 14.330 0.830 -5.489 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.255 0.271 -8.331 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.254 1.053 -7.123 1.00 0.33 H new ATOM 230 N ASP A 16 13.323 2.507 -8.122 1.00 0.25 N ATOM 231 CA ASP A 16 13.060 3.846 -8.625 1.00 0.26 C ATOM 232 C ASP A 16 12.152 4.595 -7.667 1.00 0.25 C ATOM 233 O ASP A 16 12.356 5.776 -7.389 1.00 0.29 O ATOM 234 CB ASP A 16 12.428 3.780 -10.010 1.00 0.29 C ATOM 235 CG ASP A 16 13.325 4.375 -11.074 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.537 5.606 -11.069 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.837 3.607 -11.917 1.00 1.20 O ATOM 0 H ASP A 16 12.965 1.755 -8.710 1.00 0.25 H new ATOM 0 HA ASP A 16 14.006 4.381 -8.703 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.210 2.742 -10.259 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.477 4.312 -10.000 1.00 0.29 H new ATOM 242 N PHE A 17 11.162 3.889 -7.148 1.00 0.21 N ATOM 243 CA PHE A 17 10.216 4.467 -6.211 1.00 0.21 C ATOM 244 C PHE A 17 10.899 4.839 -4.905 1.00 0.20 C ATOM 245 O PHE A 17 10.816 5.981 -4.449 1.00 0.23 O ATOM 246 CB PHE A 17 9.089 3.474 -5.937 1.00 0.21 C ATOM 247 CG PHE A 17 7.988 4.020 -5.074 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.193 5.059 -5.519 1.00 1.17 C ATOM 249 CD2 PHE A 17 7.748 3.486 -3.816 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.179 5.560 -4.730 1.00 1.19 C ATOM 251 CE2 PHE A 17 6.735 3.982 -3.022 1.00 1.24 C ATOM 252 CZ PHE A 17 5.950 5.021 -3.479 1.00 0.38 C ATOM 0 H PHE A 17 10.992 2.906 -7.363 1.00 0.21 H new ATOM 0 HA PHE A 17 9.806 5.374 -6.655 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.665 3.151 -6.888 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.507 2.589 -5.457 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.368 5.484 -6.496 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.361 2.673 -3.455 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.565 6.372 -5.090 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.557 3.558 -2.045 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.157 5.412 -2.859 1.00 0.38 H new ATOM 262 N VAL A 18 11.596 3.875 -4.319 1.00 0.19 N ATOM 263 CA VAL A 18 12.276 4.090 -3.055 1.00 0.21 C ATOM 264 C VAL A 18 13.353 5.167 -3.167 1.00 0.23 C ATOM 265 O VAL A 18 13.541 5.962 -2.245 1.00 0.26 O ATOM 266 CB VAL A 18 12.881 2.783 -2.495 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.781 1.784 -2.170 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.878 2.170 -3.465 1.00 0.23 C ATOM 0 H VAL A 18 11.704 2.936 -4.702 1.00 0.19 H new ATOM 0 HA VAL A 18 11.518 4.438 -2.353 1.00 0.21 H new ATOM 0 HB VAL A 18 13.415 3.033 -1.578 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.225 0.869 -1.777 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.110 2.211 -1.425 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.219 1.554 -3.075 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.283 1.252 -3.039 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.377 1.942 -4.406 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.689 2.875 -3.647 1.00 0.23 H new ATOM 278 N LYS A 19 14.053 5.207 -4.295 1.00 0.24 N ATOM 279 CA LYS A 19 15.092 6.208 -4.492 1.00 0.29 C ATOM 280 C LYS A 19 14.498 7.588 -4.765 1.00 0.30 C ATOM 281 O LYS A 19 15.119 8.610 -4.463 1.00 0.34 O ATOM 282 CB LYS A 19 16.028 5.796 -5.627 1.00 0.33 C ATOM 283 CG LYS A 19 17.274 5.067 -5.148 1.00 0.41 C ATOM 284 CD LYS A 19 18.278 6.024 -4.527 1.00 0.54 C ATOM 285 CE LYS A 19 18.228 5.995 -3.002 1.00 0.87 C ATOM 286 NZ LYS A 19 19.252 6.881 -2.400 1.00 1.18 N ATOM 0 H LYS A 19 13.922 4.566 -5.078 1.00 0.24 H new ATOM 0 HA LYS A 19 15.667 6.271 -3.568 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.485 5.154 -6.321 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.327 6.685 -6.182 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.994 4.308 -4.417 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.737 4.547 -5.987 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.282 5.763 -4.862 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.078 7.037 -4.877 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.238 6.303 -2.665 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.381 4.974 -2.653 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.186 6.834 -1.363 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.198 6.572 -2.701 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.091 7.860 -2.713 1.00 1.18 H new ATOM 300 N LYS A 20 13.294 7.612 -5.320 1.00 0.29 N ATOM 301 CA LYS A 20 12.623 8.868 -5.633 1.00 0.32 C ATOM 302 C LYS A 20 12.048 9.516 -4.375 1.00 0.31 C ATOM 303 O LYS A 20 12.191 10.722 -4.163 1.00 0.36 O ATOM 304 CB LYS A 20 11.510 8.639 -6.653 1.00 0.35 C ATOM 305 CG LYS A 20 11.043 9.910 -7.344 1.00 0.58 C ATOM 306 CD LYS A 20 12.114 10.472 -8.270 1.00 0.73 C ATOM 307 CE LYS A 20 11.648 11.756 -8.929 1.00 0.71 C ATOM 308 NZ LYS A 20 12.739 12.424 -9.686 1.00 0.88 N ATOM 0 H LYS A 20 12.761 6.777 -5.563 1.00 0.29 H new ATOM 0 HA LYS A 20 13.365 9.543 -6.059 1.00 0.32 H new ATOM 0 HB2 LYS A 20 11.860 7.934 -7.407 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.660 8.175 -6.152 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.139 9.702 -7.917 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.781 10.657 -6.595 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.026 10.661 -7.704 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.360 9.736 -9.035 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.821 11.537 -9.604 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.267 12.436 -8.167 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.376 13.297 -10.120 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.519 12.657 -9.038 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.086 11.786 -10.430 1.00 0.88 H new ATOM 322 N ILE A 21 11.404 8.712 -3.539 1.00 0.28 N ATOM 323 CA ILE A 21 10.807 9.220 -2.307 1.00 0.30 C ATOM 324 C ILE A 21 11.868 9.482 -1.237 1.00 0.32 C ATOM 325 O ILE A 21 11.597 10.135 -0.228 1.00 0.39 O ATOM 326 CB ILE A 21 9.730 8.267 -1.750 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.309 6.872 -1.490 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.555 8.186 -2.719 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.426 5.998 -0.630 1.00 0.30 C ATOM 0 H ILE A 21 11.281 7.711 -3.689 1.00 0.28 H new ATOM 0 HA ILE A 21 10.327 10.164 -2.565 1.00 0.30 H new ATOM 0 HB ILE A 21 9.378 8.665 -0.798 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.478 6.375 -2.445 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.281 6.976 -1.009 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.799 7.511 -2.318 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.123 9.178 -2.851 1.00 0.31 H new ATOM 0 HG23 ILE A 21 8.902 7.811 -3.682 1.00 0.31 H new ATOM 0 HD11 ILE A 21 9.901 5.027 -0.490 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.278 6.473 0.340 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.461 5.862 -1.119 1.00 0.30 H new ATOM 341 N GLY A 22 13.074 8.974 -1.461 1.00 0.31 N ATOM 342 CA GLY A 22 14.158 9.185 -0.522 1.00 0.36 C ATOM 343 C GLY A 22 14.115 8.229 0.652 1.00 0.34 C ATOM 344 O GLY A 22 14.517 8.582 1.759 1.00 0.39 O ATOM 0 H GLY A 22 13.321 8.418 -2.280 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.109 9.072 -1.042 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.117 10.209 -0.152 1.00 0.36 H new ATOM 348 N LEU A 23 13.634 7.019 0.411 1.00 0.28 N ATOM 349 CA LEU A 23 13.552 6.008 1.453 1.00 0.27 C ATOM 350 C LEU A 23 14.958 5.587 1.869 1.00 0.28 C ATOM 351 O LEU A 23 15.823 5.389 1.017 1.00 0.28 O ATOM 352 CB LEU A 23 12.775 4.790 0.941 1.00 0.24 C ATOM 353 CG LEU A 23 12.316 3.793 2.010 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.184 4.367 2.837 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.881 2.489 1.365 1.00 0.25 C ATOM 0 H LEU A 23 13.294 6.713 -0.500 1.00 0.28 H new ATOM 0 HA LEU A 23 13.030 6.424 2.315 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.897 5.144 0.401 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.400 4.260 0.222 1.00 0.24 H new ATOM 0 HG LEU A 23 13.159 3.597 2.672 1.00 0.26 H new ATOM 0 HD11 LEU A 23 10.877 3.639 3.588 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.520 5.279 3.331 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.339 4.597 2.188 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.558 1.791 2.137 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.055 2.680 0.680 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.717 2.059 0.814 1.00 0.25 H new ATOM 367 N PRO A 24 15.226 5.484 3.179 1.00 0.30 N ATOM 368 CA PRO A 24 16.539 5.074 3.672 1.00 0.32 C ATOM 369 C PRO A 24 16.875 3.652 3.249 1.00 0.30 C ATOM 370 O PRO A 24 16.019 2.765 3.293 1.00 0.28 O ATOM 371 CB PRO A 24 16.405 5.164 5.194 1.00 0.37 C ATOM 372 CG PRO A 24 14.943 5.117 5.460 1.00 0.36 C ATOM 373 CD PRO A 24 14.284 5.766 4.279 1.00 0.33 C ATOM 0 HA PRO A 24 17.340 5.697 3.275 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.921 4.339 5.684 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.845 6.086 5.574 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.602 4.089 5.580 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.697 5.644 6.382 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.298 5.344 4.084 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.148 6.837 4.430 1.00 0.33 H new ATOM 381 N ALA A 25 18.126 3.443 2.859 1.00 0.32 N ATOM 382 CA ALA A 25 18.605 2.139 2.410 1.00 0.34 C ATOM 383 C ALA A 25 18.322 1.056 3.441 1.00 0.35 C ATOM 384 O ALA A 25 17.973 -0.072 3.091 1.00 0.36 O ATOM 385 CB ALA A 25 20.092 2.201 2.113 1.00 0.39 C ATOM 0 H ALA A 25 18.839 4.172 2.845 1.00 0.32 H new ATOM 0 HA ALA A 25 18.067 1.882 1.498 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.437 1.223 1.779 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.276 2.937 1.331 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.632 2.488 3.016 1.00 0.39 H new ATOM 391 N ASP A 26 18.455 1.420 4.709 1.00 0.37 N ATOM 392 CA ASP A 26 18.216 0.497 5.809 1.00 0.40 C ATOM 393 C ASP A 26 16.808 -0.085 5.743 1.00 0.38 C ATOM 394 O ASP A 26 16.611 -1.279 5.965 1.00 0.42 O ATOM 395 CB ASP A 26 18.421 1.213 7.146 1.00 0.46 C ATOM 396 CG ASP A 26 18.071 0.343 8.340 1.00 1.27 C ATOM 397 OD1 ASP A 26 18.931 -0.456 8.772 1.00 2.03 O ATOM 398 OD2 ASP A 26 16.941 0.456 8.858 1.00 2.03 O ATOM 0 H ASP A 26 18.730 2.357 5.003 1.00 0.37 H new ATOM 0 HA ASP A 26 18.928 -0.324 5.724 1.00 0.40 H new ATOM 0 HB2 ASP A 26 19.460 1.531 7.227 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.809 2.115 7.168 1.00 0.46 H new ATOM 403 N LYS A 27 15.834 0.755 5.398 1.00 0.35 N ATOM 404 CA LYS A 27 14.450 0.312 5.321 1.00 0.36 C ATOM 405 C LYS A 27 14.149 -0.253 3.941 1.00 0.32 C ATOM 406 O LYS A 27 13.304 -1.134 3.796 1.00 0.33 O ATOM 407 CB LYS A 27 13.483 1.457 5.639 1.00 0.39 C ATOM 408 CG LYS A 27 13.644 2.036 7.040 1.00 0.41 C ATOM 409 CD LYS A 27 13.362 0.998 8.115 1.00 0.48 C ATOM 410 CE LYS A 27 13.165 1.650 9.476 1.00 0.72 C ATOM 411 NZ LYS A 27 12.856 0.652 10.536 1.00 0.94 N ATOM 0 H LYS A 27 15.979 1.738 5.170 1.00 0.35 H new ATOM 0 HA LYS A 27 14.309 -0.471 6.066 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.628 2.254 4.909 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.461 1.098 5.521 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.657 2.419 7.161 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.967 2.881 7.164 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.471 0.429 7.849 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.189 0.290 8.165 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.066 2.200 9.748 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.355 2.376 9.415 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.797 1.131 11.457 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 11.947 0.192 10.326 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.608 -0.066 10.567 1.00 0.94 H new ATOM 425 N ILE A 28 14.840 0.262 2.930 1.00 0.30 N ATOM 426 CA ILE A 28 14.652 -0.204 1.563 1.00 0.29 C ATOM 427 C ILE A 28 14.980 -1.689 1.472 1.00 0.34 C ATOM 428 O ILE A 28 14.164 -2.497 1.023 1.00 0.37 O ATOM 429 CB ILE A 28 15.566 0.540 0.559 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.150 1.998 0.387 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.562 -0.172 -0.784 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.044 2.767 -0.556 1.00 0.26 C ATOM 0 H ILE A 28 15.535 1.002 3.032 1.00 0.30 H new ATOM 0 HA ILE A 28 13.611 -0.010 1.306 1.00 0.29 H new ATOM 0 HB ILE A 28 16.577 0.532 0.965 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.126 2.035 0.017 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.155 2.487 1.361 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.209 0.362 -1.481 1.00 0.35 H new ATOM 0 HG22 ILE A 28 15.928 -1.191 -0.657 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.546 -0.198 -1.179 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.692 3.796 -0.633 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.066 2.760 -0.176 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.020 2.301 -1.541 1.00 0.26 H new ATOM 444 N GLU A 29 16.188 -2.028 1.909 1.00 0.37 N ATOM 445 CA GLU A 29 16.667 -3.398 1.891 1.00 0.44 C ATOM 446 C GLU A 29 15.840 -4.253 2.837 1.00 0.43 C ATOM 447 O GLU A 29 15.583 -5.429 2.580 1.00 0.47 O ATOM 448 CB GLU A 29 18.139 -3.449 2.303 1.00 0.52 C ATOM 449 CG GLU A 29 19.053 -2.630 1.405 1.00 0.55 C ATOM 450 CD GLU A 29 18.875 -2.980 -0.051 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.255 -4.104 -0.439 1.00 1.41 O ATOM 452 OE2 GLU A 29 18.344 -2.142 -0.810 1.00 1.73 O ATOM 0 H GLU A 29 16.859 -1.358 2.285 1.00 0.37 H new ATOM 0 HA GLU A 29 16.568 -3.788 0.878 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.233 -3.089 3.328 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.473 -4.487 2.297 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.849 -1.569 1.551 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.091 -2.798 1.694 1.00 0.55 H new ATOM 459 N MET A 30 15.410 -3.635 3.924 1.00 0.41 N ATOM 460 CA MET A 30 14.615 -4.305 4.931 1.00 0.43 C ATOM 461 C MET A 30 13.252 -4.718 4.380 1.00 0.40 C ATOM 462 O MET A 30 12.777 -5.813 4.666 1.00 0.41 O ATOM 463 CB MET A 30 14.432 -3.383 6.143 1.00 0.45 C ATOM 464 CG MET A 30 13.852 -4.071 7.367 1.00 0.46 C ATOM 465 SD MET A 30 14.889 -5.413 7.978 1.00 0.63 S ATOM 466 CE MET A 30 13.840 -6.812 7.606 1.00 0.97 C ATOM 0 H MET A 30 15.604 -2.655 4.130 1.00 0.41 H new ATOM 0 HA MET A 30 15.142 -5.209 5.235 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.398 -2.951 6.406 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.780 -2.556 5.861 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.715 -3.335 8.160 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.865 -4.464 7.123 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.514 -7.279 8.535 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.969 -6.475 7.044 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.397 -7.536 7.012 1.00 0.97 H new ATOM 476 N GLY A 31 12.640 -3.853 3.571 1.00 0.39 N ATOM 477 CA GLY A 31 11.318 -4.145 3.034 1.00 0.39 C ATOM 478 C GLY A 31 11.280 -4.520 1.558 1.00 0.43 C ATOM 479 O GLY A 31 10.243 -4.360 0.914 1.00 0.51 O ATOM 0 H GLY A 31 13.034 -2.959 3.279 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.883 -4.962 3.610 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.682 -3.273 3.186 1.00 0.39 H new ATOM 483 N ARG A 32 12.368 -5.051 1.020 1.00 0.43 N ATOM 484 CA ARG A 32 12.388 -5.418 -0.397 1.00 0.50 C ATOM 485 C ARG A 32 12.282 -6.929 -0.573 1.00 0.44 C ATOM 486 O ARG A 32 13.031 -7.691 0.047 1.00 0.49 O ATOM 487 CB ARG A 32 13.634 -4.882 -1.110 1.00 0.60 C ATOM 488 CG ARG A 32 14.944 -5.467 -0.618 1.00 0.78 C ATOM 489 CD ARG A 32 16.050 -5.319 -1.653 1.00 0.71 C ATOM 490 NE ARG A 32 16.418 -3.922 -1.901 1.00 1.31 N ATOM 491 CZ ARG A 32 16.303 -3.305 -3.077 1.00 1.49 C ATOM 492 NH1 ARG A 32 15.728 -3.913 -4.110 1.00 1.65 N ATOM 493 NH2 ARG A 32 16.766 -2.071 -3.217 1.00 2.27 N ATOM 0 H ARG A 32 13.234 -5.236 1.526 1.00 0.43 H new ATOM 0 HA ARG A 32 11.517 -4.952 -0.859 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.540 -5.082 -2.177 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.667 -3.799 -0.990 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.241 -4.970 0.305 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.806 -6.522 -0.382 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.930 -5.867 -1.317 1.00 0.71 H new ATOM 0 HD3 ARG A 32 15.728 -5.776 -2.589 1.00 0.71 H new ATOM 0 HE ARG A 32 16.788 -3.384 -1.118 1.00 1.31 H new ATOM 0 HH11 ARG A 32 15.369 -4.862 -4.008 1.00 1.65 H new ATOM 0 HH12 ARG A 32 15.646 -3.430 -5.005 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.207 -1.599 -2.428 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.681 -1.593 -4.114 1.00 2.27 H new ATOM 507 N ASN A 33 11.333 -7.340 -1.418 1.00 0.53 N ATOM 508 CA ASN A 33 11.078 -8.756 -1.709 1.00 0.67 C ATOM 509 C ASN A 33 10.600 -9.487 -0.462 1.00 0.59 C ATOM 510 O ASN A 33 10.693 -10.709 -0.366 1.00 0.69 O ATOM 511 CB ASN A 33 12.324 -9.445 -2.280 1.00 0.80 C ATOM 512 CG ASN A 33 12.356 -9.449 -3.800 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.833 -10.398 -4.422 1.00 1.72 O ATOM 514 ND2 ASN A 33 11.871 -8.377 -4.407 1.00 1.78 N ATOM 0 H ASN A 33 10.718 -6.700 -1.921 1.00 0.53 H new ATOM 0 HA ASN A 33 10.292 -8.797 -2.463 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.215 -8.942 -1.905 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.362 -10.473 -1.918 1.00 0.80 H new ATOM 0 HD21 ASN A 33 11.885 -8.318 -5.425 1.00 1.78 H new ATOM 0 HD22 ASN A 33 11.484 -7.611 -3.856 1.00 1.78 H new ATOM 521 N CYS A 34 10.080 -8.727 0.486 1.00 0.47 N ATOM 522 CA CYS A 34 9.586 -9.290 1.728 1.00 0.41 C ATOM 523 C CYS A 34 8.111 -9.650 1.590 1.00 0.41 C ATOM 524 O CYS A 34 7.349 -8.933 0.938 1.00 0.48 O ATOM 525 CB CYS A 34 9.808 -8.288 2.860 1.00 0.38 C ATOM 526 SG CYS A 34 11.544 -7.819 3.063 1.00 1.16 S ATOM 0 H CYS A 34 9.989 -7.713 0.417 1.00 0.47 H new ATOM 0 HA CYS A 34 10.131 -10.205 1.961 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.216 -7.393 2.666 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.442 -8.716 3.793 1.00 0.38 H new ATOM 0 HG CYS A 34 11.645 -6.923 4.000 1.00 1.16 H new ATOM 532 N LYS A 35 7.717 -10.772 2.187 1.00 0.39 N ATOM 533 CA LYS A 35 6.333 -11.236 2.115 1.00 0.42 C ATOM 534 C LYS A 35 5.401 -10.382 2.971 1.00 0.38 C ATOM 535 O LYS A 35 5.135 -10.696 4.131 1.00 0.40 O ATOM 536 CB LYS A 35 6.226 -12.714 2.527 1.00 0.47 C ATOM 537 CG LYS A 35 7.083 -13.096 3.727 1.00 0.48 C ATOM 538 CD LYS A 35 8.074 -14.188 3.353 1.00 1.13 C ATOM 539 CE LYS A 35 8.957 -14.594 4.521 1.00 1.64 C ATOM 540 NZ LYS A 35 9.998 -15.576 4.113 1.00 2.49 N ATOM 0 H LYS A 35 8.336 -11.377 2.726 1.00 0.39 H new ATOM 0 HA LYS A 35 6.017 -11.137 1.076 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.184 -12.941 2.753 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.511 -13.337 1.679 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.620 -12.220 4.091 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.445 -13.440 4.541 1.00 0.48 H new ATOM 0 HD2 LYS A 35 7.530 -15.061 2.992 1.00 1.13 H new ATOM 0 HD3 LYS A 35 8.700 -13.841 2.531 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.437 -13.709 4.939 1.00 1.64 H new ATOM 0 HE3 LYS A 35 8.340 -15.025 5.310 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 10.580 -15.828 4.937 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 9.540 -16.431 3.738 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 10.602 -15.156 3.378 1.00 2.49 H new ATOM 554 N ILE A 36 4.928 -9.291 2.393 1.00 0.36 N ATOM 555 CA ILE A 36 4.017 -8.396 3.084 1.00 0.34 C ATOM 556 C ILE A 36 2.595 -8.915 2.971 1.00 0.33 C ATOM 557 O ILE A 36 2.118 -9.182 1.867 1.00 0.41 O ATOM 558 CB ILE A 36 4.051 -6.972 2.496 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.484 -6.527 2.219 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.360 -5.998 3.441 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.361 -6.468 3.447 1.00 0.66 C ATOM 0 H ILE A 36 5.161 -9.003 1.443 1.00 0.36 H new ATOM 0 HA ILE A 36 4.338 -8.358 4.125 1.00 0.34 H new ATOM 0 HB ILE A 36 3.515 -6.980 1.547 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.932 -7.211 1.498 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.463 -5.542 1.753 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.390 -4.995 3.015 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.323 -6.302 3.582 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.872 -5.999 4.403 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.362 -6.143 3.164 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.939 -5.761 4.162 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.416 -7.457 3.903 1.00 0.66 H new ATOM 573 N VAL A 37 1.932 -9.070 4.100 1.00 0.29 N ATOM 574 CA VAL A 37 0.555 -9.537 4.104 1.00 0.29 C ATOM 575 C VAL A 37 -0.388 -8.354 4.221 1.00 0.30 C ATOM 576 O VAL A 37 -0.194 -7.488 5.073 1.00 0.37 O ATOM 577 CB VAL A 37 0.253 -10.516 5.258 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.007 -11.316 4.965 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.424 -11.440 5.515 1.00 0.32 C ATOM 0 H VAL A 37 2.320 -8.881 5.024 1.00 0.29 H new ATOM 0 HA VAL A 37 0.407 -10.070 3.165 1.00 0.29 H new ATOM 0 HB VAL A 37 0.088 -9.928 6.161 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.203 -12.001 5.790 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.851 -10.636 4.849 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.871 -11.885 4.046 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.180 -12.117 6.333 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.635 -12.019 4.616 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.301 -10.850 5.781 1.00 0.32 H new ATOM 589 N THR A 38 -1.377 -8.310 3.352 1.00 0.25 N ATOM 590 CA THR A 38 -2.363 -7.250 3.368 1.00 0.26 C ATOM 591 C THR A 38 -3.749 -7.831 3.610 1.00 0.24 C ATOM 592 O THR A 38 -4.337 -8.434 2.717 1.00 0.23 O ATOM 593 CB THR A 38 -2.354 -6.462 2.044 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.016 -6.052 1.731 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.262 -5.243 2.120 1.00 0.30 C ATOM 0 H THR A 38 -1.519 -9.004 2.618 1.00 0.25 H new ATOM 0 HA THR A 38 -2.109 -6.565 4.177 1.00 0.26 H new ATOM 0 HB THR A 38 -2.730 -7.117 1.258 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.016 -5.553 0.888 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.234 -4.708 1.171 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.284 -5.563 2.326 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.920 -4.584 2.918 1.00 0.30 H new ATOM 603 N GLU A 39 -4.262 -7.661 4.816 1.00 0.25 N ATOM 604 CA GLU A 39 -5.578 -8.179 5.158 1.00 0.25 C ATOM 605 C GLU A 39 -6.634 -7.103 4.954 1.00 0.24 C ATOM 606 O GLU A 39 -6.635 -6.078 5.648 1.00 0.28 O ATOM 607 CB GLU A 39 -5.597 -8.678 6.599 1.00 0.28 C ATOM 608 CG GLU A 39 -4.630 -9.821 6.853 1.00 0.38 C ATOM 609 CD GLU A 39 -5.281 -10.987 7.566 1.00 0.66 C ATOM 610 OE1 GLU A 39 -5.321 -10.974 8.811 1.00 1.24 O ATOM 611 OE2 GLU A 39 -5.747 -11.924 6.883 1.00 1.39 O ATOM 0 H GLU A 39 -3.790 -7.169 5.575 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.804 -9.019 4.501 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.354 -7.851 7.266 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.607 -9.003 6.850 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.221 -10.164 5.903 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.792 -9.458 7.448 1.00 0.38 H new ATOM 618 N VAL A 40 -7.512 -7.340 3.992 1.00 0.20 N ATOM 619 CA VAL A 40 -8.567 -6.399 3.657 1.00 0.20 C ATOM 620 C VAL A 40 -9.934 -6.889 4.114 1.00 0.21 C ATOM 621 O VAL A 40 -10.375 -7.971 3.730 1.00 0.20 O ATOM 622 CB VAL A 40 -8.634 -6.162 2.137 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.715 -5.145 1.805 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.284 -5.714 1.597 1.00 0.22 C ATOM 0 H VAL A 40 -7.513 -8.187 3.424 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.322 -5.472 4.176 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.890 -7.105 1.655 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.749 -4.989 0.727 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.681 -5.515 2.149 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.491 -4.201 2.301 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.358 -5.553 0.521 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -6.988 -4.785 2.083 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.538 -6.483 1.799 1.00 0.22 H new ATOM 634 N VAL A 41 -10.584 -6.090 4.942 1.00 0.24 N ATOM 635 CA VAL A 41 -11.920 -6.391 5.420 1.00 0.27 C ATOM 636 C VAL A 41 -12.903 -5.461 4.720 1.00 0.29 C ATOM 637 O VAL A 41 -12.647 -4.261 4.602 1.00 0.31 O ATOM 638 CB VAL A 41 -12.036 -6.219 6.952 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.423 -6.614 7.438 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.962 -7.028 7.668 1.00 0.95 C ATOM 0 H VAL A 41 -10.200 -5.216 5.301 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.145 -7.433 5.193 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.883 -5.166 7.187 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.480 -6.485 8.519 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.170 -5.983 6.957 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.613 -7.658 7.187 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.062 -6.893 8.745 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.078 -8.084 7.423 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.977 -6.687 7.349 1.00 0.95 H new ATOM 650 N GLN A 42 -14.007 -6.011 4.239 1.00 0.31 N ATOM 651 CA GLN A 42 -14.999 -5.220 3.527 1.00 0.36 C ATOM 652 C GLN A 42 -16.164 -4.855 4.435 1.00 0.30 C ATOM 653 O GLN A 42 -16.932 -5.716 4.865 1.00 0.42 O ATOM 654 CB GLN A 42 -15.507 -5.991 2.304 1.00 0.53 C ATOM 655 CG GLN A 42 -15.928 -5.100 1.147 1.00 1.14 C ATOM 656 CD GLN A 42 -16.129 -5.871 -0.145 1.00 1.35 C ATOM 657 OE1 GLN A 42 -15.197 -6.042 -0.941 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.343 -6.342 -0.366 1.00 1.59 N ATOM 0 H GLN A 42 -14.239 -7.000 4.328 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.524 -4.296 3.197 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.724 -6.668 1.962 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.355 -6.608 2.602 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -16.854 -4.588 1.407 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -15.171 -4.331 0.992 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.085 -6.180 0.315 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -17.539 -6.868 -1.218 1.00 1.59 H new ATOM 667 N ASN A 43 -16.279 -3.571 4.734 1.00 0.30 N ATOM 668 CA ASN A 43 -17.353 -3.080 5.584 1.00 0.37 C ATOM 669 C ASN A 43 -18.095 -1.949 4.881 1.00 0.34 C ATOM 670 O ASN A 43 -17.864 -0.772 5.158 1.00 0.37 O ATOM 671 CB ASN A 43 -16.788 -2.592 6.920 1.00 0.53 C ATOM 672 CG ASN A 43 -17.845 -2.487 8.008 1.00 0.97 C ATOM 673 OD1 ASN A 43 -19.033 -2.702 7.767 1.00 1.44 O ATOM 674 ND2 ASN A 43 -17.419 -2.135 9.213 1.00 1.73 N ATOM 0 H ASN A 43 -15.641 -2.849 4.400 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.051 -3.894 5.778 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.004 -3.274 7.248 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.323 -1.617 6.777 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -18.084 -2.034 9.980 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -16.426 -1.965 9.373 1.00 1.73 H new ATOM 681 N GLY A 44 -18.970 -2.317 3.955 1.00 0.35 N ATOM 682 CA GLY A 44 -19.728 -1.330 3.208 1.00 0.37 C ATOM 683 C GLY A 44 -18.851 -0.583 2.225 1.00 0.34 C ATOM 684 O GLY A 44 -18.691 -1.001 1.078 1.00 0.40 O ATOM 0 H GLY A 44 -19.170 -3.286 3.706 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.539 -1.822 2.672 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.186 -0.622 3.899 1.00 0.37 H new ATOM 688 N ASN A 45 -18.285 0.519 2.674 1.00 0.31 N ATOM 689 CA ASN A 45 -17.392 1.311 1.841 1.00 0.29 C ATOM 690 C ASN A 45 -16.103 1.597 2.592 1.00 0.28 C ATOM 691 O ASN A 45 -15.294 2.427 2.182 1.00 0.29 O ATOM 692 CB ASN A 45 -18.064 2.607 1.402 1.00 0.32 C ATOM 693 CG ASN A 45 -18.366 2.616 -0.085 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.342 3.661 -0.725 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.649 1.448 -0.649 1.00 0.43 N ATOM 0 H ASN A 45 -18.426 0.890 3.614 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.155 0.741 0.943 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.990 2.742 1.961 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.418 3.451 1.646 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.856 1.400 -1.647 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.660 0.598 -0.085 1.00 0.43 H new ATOM 702 N ASP A 46 -15.928 0.889 3.697 1.00 0.30 N ATOM 703 CA ASP A 46 -14.742 1.023 4.525 1.00 0.29 C ATOM 704 C ASP A 46 -13.847 -0.190 4.334 1.00 0.28 C ATOM 705 O ASP A 46 -14.212 -1.304 4.714 1.00 0.36 O ATOM 706 CB ASP A 46 -15.136 1.156 6.000 1.00 0.33 C ATOM 707 CG ASP A 46 -13.948 1.381 6.914 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.333 2.467 6.837 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.643 0.491 7.734 1.00 1.36 O ATOM 0 H ASP A 46 -16.603 0.207 4.044 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.201 1.921 4.227 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.834 1.986 6.110 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.662 0.254 6.312 1.00 0.33 H new ATOM 714 N PHE A 47 -12.703 0.017 3.706 1.00 0.23 N ATOM 715 CA PHE A 47 -11.764 -1.063 3.469 1.00 0.23 C ATOM 716 C PHE A 47 -10.566 -0.924 4.391 1.00 0.23 C ATOM 717 O PHE A 47 -10.020 0.166 4.563 1.00 0.24 O ATOM 718 CB PHE A 47 -11.323 -1.071 2.004 1.00 0.25 C ATOM 719 CG PHE A 47 -12.461 -1.277 1.044 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.271 -0.214 0.667 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.732 -2.533 0.524 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.323 -0.400 -0.206 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.784 -2.724 -0.349 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.580 -1.657 -0.716 1.00 0.34 C ATOM 0 H PHE A 47 -12.402 0.925 3.351 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.255 -2.012 3.682 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -10.829 -0.127 1.775 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.585 -1.860 1.858 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.075 0.772 1.063 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.113 -3.372 0.805 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -14.944 0.436 -0.490 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.985 -3.708 -0.745 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.402 -1.805 -1.401 1.00 0.34 H new ATOM 734 N THR A 48 -10.176 -2.028 5.000 1.00 0.26 N ATOM 735 CA THR A 48 -9.052 -2.027 5.912 1.00 0.27 C ATOM 736 C THR A 48 -7.774 -2.452 5.204 1.00 0.28 C ATOM 737 O THR A 48 -7.770 -3.408 4.427 1.00 0.38 O ATOM 738 CB THR A 48 -9.298 -2.978 7.100 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.322 -4.335 6.639 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.613 -2.657 7.795 1.00 0.56 C ATOM 0 H THR A 48 -10.623 -2.937 4.878 1.00 0.26 H new ATOM 0 HA THR A 48 -8.943 -1.007 6.281 1.00 0.27 H new ATOM 0 HB THR A 48 -8.486 -2.844 7.815 1.00 0.29 H new ATOM 0 HG1 THR A 48 -8.725 -4.880 7.194 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.761 -3.343 8.629 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.587 -1.633 8.168 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.435 -2.764 7.087 1.00 0.56 H new ATOM 748 N TRP A 49 -6.699 -1.731 5.456 1.00 0.23 N ATOM 749 CA TRP A 49 -5.418 -2.056 4.869 1.00 0.23 C ATOM 750 C TRP A 49 -4.451 -2.434 5.980 1.00 0.23 C ATOM 751 O TRP A 49 -3.926 -1.576 6.691 1.00 0.24 O ATOM 752 CB TRP A 49 -4.878 -0.877 4.059 1.00 0.25 C ATOM 753 CG TRP A 49 -4.557 -1.220 2.637 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.328 -1.197 2.042 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.484 -1.642 1.627 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.432 -1.576 0.726 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.746 -1.854 0.447 1.00 0.36 C ATOM 758 CE3 TRP A 49 -6.867 -1.859 1.604 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.346 -2.271 -0.740 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.458 -2.275 0.427 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.698 -2.479 -0.731 1.00 0.42 C ATOM 0 H TRP A 49 -6.690 -0.914 6.066 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.534 -2.897 4.186 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.613 -0.072 4.072 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -3.979 -0.496 4.543 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.408 -0.921 2.535 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.659 -1.640 0.064 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.462 -1.704 2.492 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.763 -2.425 -1.636 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.524 -2.446 0.399 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.189 -2.807 -1.635 1.00 0.42 H new ATOM 772 N THR A 50 -4.254 -3.726 6.147 1.00 0.22 N ATOM 773 CA THR A 50 -3.362 -4.240 7.168 1.00 0.24 C ATOM 774 C THR A 50 -2.080 -4.745 6.533 1.00 0.25 C ATOM 775 O THR A 50 -2.117 -5.656 5.719 1.00 0.35 O ATOM 776 CB THR A 50 -4.025 -5.399 7.932 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.406 -5.097 8.163 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.330 -5.658 9.257 1.00 0.28 C ATOM 0 H THR A 50 -4.705 -4.446 5.583 1.00 0.22 H new ATOM 0 HA THR A 50 -3.139 -3.429 7.862 1.00 0.24 H new ATOM 0 HB THR A 50 -3.939 -6.299 7.323 1.00 0.26 H new ATOM 0 HG1 THR A 50 -5.938 -5.391 7.394 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.823 -6.483 9.771 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.286 -5.915 9.076 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.381 -4.762 9.876 1.00 0.28 H new ATOM 786 N GLN A 51 -0.960 -4.138 6.887 1.00 0.22 N ATOM 787 CA GLN A 51 0.337 -4.534 6.357 1.00 0.23 C ATOM 788 C GLN A 51 1.120 -5.288 7.415 1.00 0.22 C ATOM 789 O GLN A 51 1.472 -4.727 8.454 1.00 0.24 O ATOM 790 CB GLN A 51 1.150 -3.307 5.924 1.00 0.27 C ATOM 791 CG GLN A 51 0.939 -2.870 4.483 1.00 0.56 C ATOM 792 CD GLN A 51 -0.464 -2.362 4.216 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.286 -3.195 3.608 1.00 1.62 O flip ATOM 794 NE2 GLN A 51 -0.798 -1.227 4.546 1.00 0.82 N flip ATOM 0 H GLN A 51 -0.922 -3.361 7.546 1.00 0.22 H new ATOM 0 HA GLN A 51 0.164 -5.173 5.491 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.899 -2.474 6.581 1.00 0.27 H new ATOM 0 HB3 GLN A 51 2.209 -3.521 6.071 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.656 -2.086 4.239 1.00 0.56 H new ATOM 0 HG3 GLN A 51 1.147 -3.710 3.820 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.130 -0.615 5.015 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -1.743 -0.897 4.351 1.00 0.82 H new ATOM 803 N HIS A 52 1.410 -6.542 7.144 1.00 0.22 N ATOM 804 CA HIS A 52 2.169 -7.357 8.072 1.00 0.23 C ATOM 805 C HIS A 52 3.568 -7.562 7.549 1.00 0.23 C ATOM 806 O HIS A 52 3.765 -8.046 6.429 1.00 0.26 O ATOM 807 CB HIS A 52 1.493 -8.704 8.318 1.00 0.24 C ATOM 808 CG HIS A 52 0.270 -8.622 9.179 1.00 0.26 C ATOM 809 ND1 HIS A 52 0.359 -8.315 10.515 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.032 -8.818 8.857 1.00 0.32 C ATOM 811 CE1 HIS A 52 -0.881 -8.334 10.971 1.00 0.37 C ATOM 812 NE2 HIS A 52 -1.761 -8.635 10.005 1.00 0.35 N ATOM 0 H HIS A 52 1.132 -7.021 6.288 1.00 0.22 H new ATOM 0 HA HIS A 52 2.213 -6.831 9.026 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.221 -9.143 7.358 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.210 -9.379 8.786 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.422 -9.070 7.882 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.153 -8.132 11.997 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -2.773 -8.713 10.104 1.00 0.35 H new ATOM 820 N PHE A 53 4.533 -7.180 8.357 1.00 0.25 N ATOM 821 CA PHE A 53 5.918 -7.308 7.984 1.00 0.27 C ATOM 822 C PHE A 53 6.534 -8.549 8.615 1.00 0.31 C ATOM 823 O PHE A 53 6.480 -8.716 9.837 1.00 0.34 O ATOM 824 CB PHE A 53 6.691 -6.069 8.414 1.00 0.24 C ATOM 825 CG PHE A 53 7.965 -5.892 7.656 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.954 -5.935 6.281 1.00 1.13 C ATOM 827 CD2 PHE A 53 9.163 -5.707 8.312 1.00 1.20 C ATOM 828 CE1 PHE A 53 9.120 -5.791 5.562 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.336 -5.563 7.602 1.00 1.23 C ATOM 830 CZ PHE A 53 10.314 -5.607 6.225 1.00 0.34 C ATOM 0 H PHE A 53 4.379 -6.776 9.281 1.00 0.25 H new ATOM 0 HA PHE A 53 5.974 -7.407 6.900 1.00 0.27 H new ATOM 0 HB2 PHE A 53 6.064 -5.188 8.274 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.913 -6.136 9.479 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.020 -6.083 5.759 1.00 1.13 H new ATOM 0 HD2 PHE A 53 9.183 -5.675 9.391 1.00 1.20 H new ATOM 0 HE1 PHE A 53 9.099 -5.822 4.483 1.00 1.13 H new ATOM 0 HE2 PHE A 53 11.270 -5.416 8.124 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.231 -5.497 5.666 1.00 0.34 H new ATOM 840 N PRO A 54 7.120 -9.438 7.796 1.00 0.35 N ATOM 841 CA PRO A 54 7.747 -10.664 8.288 1.00 0.41 C ATOM 842 C PRO A 54 8.910 -10.378 9.226 1.00 0.39 C ATOM 843 O PRO A 54 9.926 -9.811 8.821 1.00 0.37 O ATOM 844 CB PRO A 54 8.254 -11.349 7.015 1.00 0.46 C ATOM 845 CG PRO A 54 8.339 -10.264 6.000 1.00 0.45 C ATOM 846 CD PRO A 54 7.220 -9.325 6.329 1.00 0.39 C ATOM 0 HA PRO A 54 7.049 -11.271 8.865 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.226 -11.814 7.178 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.573 -12.137 6.694 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.303 -9.758 6.046 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.235 -10.661 4.990 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.443 -8.305 6.016 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.291 -9.614 5.837 1.00 0.39 H new ATOM 854 N GLY A 55 8.751 -10.778 10.477 1.00 0.43 N ATOM 855 CA GLY A 55 9.785 -10.568 11.468 1.00 0.46 C ATOM 856 C GLY A 55 9.975 -9.106 11.831 1.00 0.41 C ATOM 857 O GLY A 55 11.037 -8.721 12.315 1.00 0.43 O ATOM 0 H GLY A 55 7.916 -11.249 10.827 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.537 -11.130 12.368 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.727 -10.968 11.092 1.00 0.46 H new ATOM 861 N GLY A 56 8.952 -8.288 11.609 1.00 0.37 N ATOM 862 CA GLY A 56 9.067 -6.876 11.921 1.00 0.34 C ATOM 863 C GLY A 56 7.768 -6.260 12.398 1.00 0.35 C ATOM 864 O GLY A 56 6.819 -6.976 12.727 1.00 0.41 O ATOM 0 H GLY A 56 8.053 -8.574 11.222 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.828 -6.742 12.689 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.410 -6.342 11.035 1.00 0.34 H new ATOM 868 N ARG A 57 7.733 -4.931 12.414 1.00 0.34 N ATOM 869 CA ARG A 57 6.566 -4.178 12.868 1.00 0.38 C ATOM 870 C ARG A 57 5.401 -4.291 11.891 1.00 0.31 C ATOM 871 O ARG A 57 5.595 -4.394 10.683 1.00 0.28 O ATOM 872 CB ARG A 57 6.935 -2.700 13.071 1.00 0.45 C ATOM 873 CG ARG A 57 7.211 -1.933 11.784 1.00 0.43 C ATOM 874 CD ARG A 57 6.034 -1.047 11.398 1.00 0.53 C ATOM 875 NE ARG A 57 5.930 0.140 12.248 1.00 1.58 N ATOM 876 CZ ARG A 57 4.825 0.885 12.363 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.723 0.564 11.711 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.823 1.962 13.135 1.00 3.34 N ATOM 0 H ARG A 57 8.512 -4.345 12.113 1.00 0.34 H new ATOM 0 HA ARG A 57 6.248 -4.609 13.817 1.00 0.38 H new ATOM 0 HB2 ARG A 57 6.123 -2.207 13.606 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.817 -2.644 13.709 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.103 -1.320 11.909 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.418 -2.636 10.977 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.140 -0.738 10.358 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.111 -1.623 11.467 1.00 0.53 H new ATOM 0 HE ARG A 57 6.751 0.416 12.786 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.707 -0.261 11.111 1.00 2.27 H new ATOM 0 HH12 ARG A 57 2.887 1.141 11.807 1.00 2.27 H new ATOM 0 HH21 ARG A 57 5.666 2.226 13.644 1.00 3.34 H new ATOM 0 HH22 ARG A 57 3.978 2.527 13.220 1.00 3.34 H new ATOM 892 N THR A 58 4.193 -4.269 12.425 1.00 0.36 N ATOM 893 CA THR A 58 3.004 -4.341 11.603 1.00 0.31 C ATOM 894 C THR A 58 2.383 -2.949 11.468 1.00 0.28 C ATOM 895 O THR A 58 2.630 -2.068 12.296 1.00 0.33 O ATOM 896 CB THR A 58 1.972 -5.338 12.178 1.00 0.35 C ATOM 897 OG1 THR A 58 0.931 -5.572 11.224 1.00 0.34 O ATOM 898 CG2 THR A 58 1.363 -4.822 13.474 1.00 0.39 C ATOM 0 H THR A 58 4.012 -4.202 13.427 1.00 0.36 H new ATOM 0 HA THR A 58 3.295 -4.705 10.618 1.00 0.31 H new ATOM 0 HB THR A 58 2.495 -6.271 12.391 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.923 -6.520 10.974 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.642 -5.547 13.851 1.00 0.39 H new ATOM 0 HG22 THR A 58 2.151 -4.675 14.213 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.860 -3.873 13.287 1.00 0.39 H new ATOM 906 N THR A 59 1.602 -2.753 10.417 1.00 0.25 N ATOM 907 CA THR A 59 0.953 -1.476 10.158 1.00 0.27 C ATOM 908 C THR A 59 -0.504 -1.708 9.768 1.00 0.24 C ATOM 909 O THR A 59 -0.792 -2.571 8.951 1.00 0.36 O ATOM 910 CB THR A 59 1.693 -0.735 9.025 1.00 0.32 C ATOM 911 OG1 THR A 59 3.065 -1.157 8.998 1.00 0.49 O ATOM 912 CG2 THR A 59 1.633 0.771 9.216 1.00 0.48 C ATOM 0 H THR A 59 1.400 -3.471 9.722 1.00 0.25 H new ATOM 0 HA THR A 59 0.986 -0.866 11.061 1.00 0.27 H new ATOM 0 HB THR A 59 1.204 -0.978 8.082 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.125 -2.049 8.596 1.00 0.49 H new ATOM 0 HG21 THR A 59 2.164 1.263 8.401 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.593 1.096 9.220 1.00 0.48 H new ATOM 0 HG23 THR A 59 2.099 1.036 10.165 1.00 0.48 H new ATOM 920 N THR A 60 -1.427 -0.971 10.365 1.00 0.26 N ATOM 921 CA THR A 60 -2.839 -1.147 10.055 1.00 0.23 C ATOM 922 C THR A 60 -3.580 0.185 10.011 1.00 0.22 C ATOM 923 O THR A 60 -3.350 1.063 10.844 1.00 0.26 O ATOM 924 CB THR A 60 -3.514 -2.062 11.090 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.661 -3.175 11.380 1.00 0.31 O ATOM 926 CG2 THR A 60 -4.859 -2.566 10.580 1.00 0.24 C ATOM 0 H THR A 60 -1.228 -0.252 11.060 1.00 0.26 H new ATOM 0 HA THR A 60 -2.890 -1.607 9.068 1.00 0.23 H new ATOM 0 HB THR A 60 -3.686 -1.484 11.998 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.093 -3.755 12.041 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.315 -3.211 11.331 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.515 -1.718 10.384 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.711 -3.130 9.659 1.00 0.24 H new ATOM 934 N ASN A 61 -4.458 0.324 9.026 1.00 0.25 N ATOM 935 CA ASN A 61 -5.264 1.529 8.859 1.00 0.26 C ATOM 936 C ASN A 61 -6.591 1.163 8.205 1.00 0.29 C ATOM 937 O ASN A 61 -6.698 0.138 7.532 1.00 0.51 O ATOM 938 CB ASN A 61 -4.529 2.578 8.006 1.00 0.36 C ATOM 939 CG ASN A 61 -4.482 2.206 6.545 1.00 0.87 C ATOM 940 OD1 ASN A 61 -5.341 2.614 5.769 1.00 1.43 O ATOM 941 ND2 ASN A 61 -3.481 1.424 6.159 1.00 1.72 N ATOM 0 H ASN A 61 -4.632 -0.393 8.321 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.444 1.964 9.842 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -5.025 3.543 8.116 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -3.512 2.698 8.380 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -3.404 1.139 5.183 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.789 1.108 6.839 1.00 1.72 H new ATOM 948 N SER A 62 -7.597 1.993 8.409 1.00 0.21 N ATOM 949 CA SER A 62 -8.908 1.756 7.834 1.00 0.25 C ATOM 950 C SER A 62 -9.399 3.020 7.150 1.00 0.23 C ATOM 951 O SER A 62 -9.329 4.106 7.735 1.00 0.29 O ATOM 952 CB SER A 62 -9.876 1.324 8.933 1.00 0.34 C ATOM 953 OG SER A 62 -9.858 2.246 10.014 1.00 1.04 O ATOM 0 H SER A 62 -7.530 2.841 8.971 1.00 0.21 H new ATOM 0 HA SER A 62 -8.848 0.961 7.091 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.885 1.253 8.527 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.606 0.331 9.292 1.00 0.34 H new ATOM 0 HG SER A 62 -9.637 3.140 9.678 1.00 1.04 H new ATOM 959 N PHE A 63 -9.889 2.891 5.928 1.00 0.18 N ATOM 960 CA PHE A 63 -10.353 4.052 5.190 1.00 0.17 C ATOM 961 C PHE A 63 -11.714 3.827 4.558 1.00 0.18 C ATOM 962 O PHE A 63 -12.000 2.764 4.008 1.00 0.24 O ATOM 963 CB PHE A 63 -9.337 4.452 4.108 1.00 0.17 C ATOM 964 CG PHE A 63 -9.005 3.346 3.144 1.00 0.18 C ATOM 965 CD1 PHE A 63 -7.978 2.459 3.417 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.724 3.191 1.967 1.00 0.88 C ATOM 967 CE1 PHE A 63 -7.673 1.442 2.537 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.423 2.175 1.084 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.396 1.300 1.369 1.00 0.23 C ATOM 0 H PHE A 63 -9.975 2.004 5.431 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.452 4.863 5.912 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.731 5.301 3.550 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.419 4.787 4.591 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.409 2.565 4.329 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.529 3.874 1.740 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -6.869 0.757 2.761 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -9.990 2.065 0.172 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.157 0.504 0.679 1.00 0.23 H new ATOM 979 N THR A 64 -12.543 4.844 4.639 1.00 0.17 N ATOM 980 CA THR A 64 -13.865 4.797 4.060 1.00 0.19 C ATOM 981 C THR A 64 -13.873 5.631 2.787 1.00 0.18 C ATOM 982 O THR A 64 -13.378 6.758 2.780 1.00 0.19 O ATOM 983 CB THR A 64 -14.925 5.321 5.055 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.996 4.468 6.205 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.299 5.424 4.411 1.00 0.22 C ATOM 0 H THR A 64 -12.320 5.723 5.106 1.00 0.17 H new ATOM 0 HA THR A 64 -14.117 3.763 3.826 1.00 0.19 H new ATOM 0 HB THR A 64 -14.617 6.321 5.361 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.259 3.823 6.180 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.017 5.796 5.142 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.254 6.110 3.565 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.613 4.440 4.063 1.00 0.22 H new ATOM 993 N ILE A 65 -14.384 5.056 1.708 1.00 0.18 N ATOM 994 CA ILE A 65 -14.452 5.753 0.432 1.00 0.18 C ATOM 995 C ILE A 65 -15.210 7.071 0.565 1.00 0.21 C ATOM 996 O ILE A 65 -16.336 7.097 1.065 1.00 0.24 O ATOM 997 CB ILE A 65 -15.123 4.886 -0.651 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.358 3.569 -0.836 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.210 5.653 -1.966 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -12.895 3.753 -1.189 1.00 0.19 C ATOM 0 H ILE A 65 -14.758 4.107 1.691 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.425 5.959 0.129 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.136 4.647 -0.327 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.430 2.986 0.082 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.841 2.987 -1.621 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.686 5.028 -2.721 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.799 6.559 -1.821 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.207 5.922 -2.297 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.423 2.777 -1.303 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.813 4.307 -2.124 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.396 4.307 -0.394 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.557 8.154 0.131 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.119 9.508 0.168 1.00 0.23 C ATOM 1014 C ASP A 66 -15.109 10.037 1.600 1.00 0.23 C ATOM 1015 O ASP A 66 -15.869 10.940 1.961 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.538 9.537 -0.421 1.00 0.27 C ATOM 1017 CG ASP A 66 -16.966 10.915 -0.886 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.098 11.709 -1.306 1.00 1.10 O ATOM 1019 OD2 ASP A 66 -18.182 11.204 -0.846 1.00 1.04 O ATOM 0 H ASP A 66 -13.615 8.115 -0.259 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.498 10.158 -0.448 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.589 8.845 -1.262 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.243 9.179 0.329 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.236 9.461 2.413 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.102 9.851 3.802 1.00 0.22 C ATOM 1026 C LYS A 67 -12.632 9.915 4.204 1.00 0.21 C ATOM 1027 O LYS A 67 -11.840 9.054 3.817 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.844 8.841 4.678 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.561 8.971 6.164 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.060 10.290 6.724 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.503 10.540 8.114 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.814 11.906 8.607 1.00 1.59 N ATOM 0 H LYS A 67 -13.604 8.713 2.127 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.533 10.843 3.939 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.916 8.954 4.514 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.577 7.834 4.357 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -15.036 8.148 6.697 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.488 8.886 6.338 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.768 11.104 6.060 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.149 10.284 6.761 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.913 9.804 8.805 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.422 10.398 8.101 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -13.963 12.323 9.035 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.127 12.499 7.812 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.570 11.854 9.319 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.258 10.955 4.941 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.898 11.093 5.421 1.00 0.26 C ATOM 1048 C GLU A 68 -10.602 9.990 6.440 1.00 0.23 C ATOM 1049 O GLU A 68 -11.445 9.660 7.277 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.695 12.496 6.008 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.732 12.907 7.049 1.00 1.35 C ATOM 1052 CD GLU A 68 -11.326 12.572 8.469 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -10.121 12.362 8.721 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -12.217 12.502 9.342 1.00 2.51 O ATOM 0 H GLU A 68 -12.882 11.713 5.217 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.194 10.980 4.597 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.705 12.546 6.462 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -10.709 13.221 5.194 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -11.907 13.980 6.973 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -12.677 12.413 6.823 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.418 9.407 6.352 1.00 0.20 N ATOM 1062 CA ALA A 69 -9.044 8.324 7.246 1.00 0.18 C ATOM 1063 C ALA A 69 -7.687 8.541 7.895 1.00 0.21 C ATOM 1064 O ALA A 69 -6.827 9.241 7.355 1.00 0.31 O ATOM 1065 CB ALA A 69 -9.035 7.015 6.480 1.00 0.18 C ATOM 0 H ALA A 69 -8.702 9.664 5.673 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.784 8.295 8.046 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.754 6.203 7.151 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -10.029 6.824 6.074 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.315 7.076 5.664 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.515 7.928 9.061 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.264 7.990 9.801 1.00 0.24 C ATOM 1073 C ASP A 70 -5.359 6.878 9.314 1.00 0.22 C ATOM 1074 O ASP A 70 -5.703 5.699 9.420 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.517 7.832 11.299 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.910 8.955 12.108 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.726 8.851 12.489 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -6.616 9.951 12.370 1.00 1.87 O ATOM 0 H ASP A 70 -8.240 7.375 9.518 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.793 8.959 9.635 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.591 7.796 11.481 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.104 6.881 11.636 1.00 0.31 H new ATOM 1083 N MET A 71 -4.222 7.245 8.763 1.00 0.20 N ATOM 1084 CA MET A 71 -3.297 6.267 8.229 1.00 0.20 C ATOM 1085 C MET A 71 -1.927 6.380 8.864 1.00 0.22 C ATOM 1086 O MET A 71 -1.626 7.338 9.580 1.00 0.26 O ATOM 1087 CB MET A 71 -3.159 6.448 6.727 1.00 0.22 C ATOM 1088 CG MET A 71 -4.484 6.495 6.013 1.00 0.19 C ATOM 1089 SD MET A 71 -4.435 7.527 4.547 1.00 0.20 S ATOM 1090 CE MET A 71 -6.159 7.457 4.111 1.00 0.20 C ATOM 0 H MET A 71 -3.915 8.214 8.673 1.00 0.20 H new ATOM 0 HA MET A 71 -3.702 5.281 8.457 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.612 7.370 6.527 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.564 5.630 6.322 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.778 5.484 5.732 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.247 6.872 6.694 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.270 7.622 3.039 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.561 6.478 4.371 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.704 8.229 4.655 1.00 0.20 H new ATOM 1100 N GLU A 72 -1.106 5.389 8.582 1.00 0.24 N ATOM 1101 CA GLU A 72 0.249 5.331 9.079 1.00 0.25 C ATOM 1102 C GLU A 72 1.088 4.507 8.118 1.00 0.26 C ATOM 1103 O GLU A 72 0.618 3.500 7.587 1.00 0.29 O ATOM 1104 CB GLU A 72 0.283 4.719 10.482 1.00 0.28 C ATOM 1105 CG GLU A 72 1.676 4.318 10.947 1.00 0.30 C ATOM 1106 CD GLU A 72 1.676 3.660 12.307 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.388 4.349 13.307 1.00 1.47 O ATOM 1108 OE2 GLU A 72 1.978 2.450 12.385 1.00 1.32 O ATOM 0 H GLU A 72 -1.365 4.595 7.996 1.00 0.24 H new ATOM 0 HA GLU A 72 0.656 6.340 9.147 1.00 0.25 H new ATOM 0 HB2 GLU A 72 -0.133 5.435 11.190 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.362 3.841 10.500 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.114 3.635 10.219 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.312 5.203 10.977 1.00 0.30 H new ATOM 1115 N THR A 73 2.297 4.962 7.856 1.00 0.26 N ATOM 1116 CA THR A 73 3.191 4.240 6.970 1.00 0.28 C ATOM 1117 C THR A 73 4.010 3.255 7.777 1.00 0.30 C ATOM 1118 O THR A 73 4.016 3.296 9.008 1.00 0.36 O ATOM 1119 CB THR A 73 4.165 5.162 6.212 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.117 5.721 7.125 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.432 6.284 5.497 1.00 0.32 C ATOM 0 H THR A 73 2.683 5.824 8.241 1.00 0.26 H new ATOM 0 HA THR A 73 2.562 3.737 6.235 1.00 0.28 H new ATOM 0 HB THR A 73 4.677 4.559 5.463 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.982 5.822 6.675 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.152 6.913 4.974 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.730 5.860 4.778 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.887 6.885 6.225 1.00 0.32 H new ATOM 1129 N MET A 74 4.738 2.403 7.090 1.00 0.32 N ATOM 1130 CA MET A 74 5.560 1.424 7.763 1.00 0.34 C ATOM 1131 C MET A 74 6.824 2.082 8.312 1.00 0.31 C ATOM 1132 O MET A 74 7.633 1.441 8.983 1.00 0.37 O ATOM 1133 CB MET A 74 5.920 0.287 6.815 1.00 0.42 C ATOM 1134 CG MET A 74 5.933 -1.073 7.487 1.00 0.76 C ATOM 1135 SD MET A 74 6.604 -2.360 6.414 1.00 0.93 S ATOM 1136 CE MET A 74 5.264 -2.551 5.244 1.00 1.05 C ATOM 0 H MET A 74 4.777 2.368 6.071 1.00 0.32 H new ATOM 0 HA MET A 74 4.993 1.009 8.597 1.00 0.34 H new ATOM 0 HB2 MET A 74 5.207 0.271 5.991 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.902 0.480 6.383 1.00 0.42 H new ATOM 0 HG2 MET A 74 6.525 -1.019 8.400 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.918 -1.340 7.781 1.00 0.76 H new ATOM 0 HE1 MET A 74 5.418 -3.458 4.660 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.319 -2.622 5.782 1.00 1.05 H new ATOM 0 HE3 MET A 74 5.238 -1.690 4.577 1.00 1.05 H new ATOM 1146 N GLY A 75 6.983 3.372 8.018 1.00 0.28 N ATOM 1147 CA GLY A 75 8.125 4.114 8.498 1.00 0.31 C ATOM 1148 C GLY A 75 7.804 4.813 9.804 1.00 0.35 C ATOM 1149 O GLY A 75 8.682 5.397 10.439 1.00 0.48 O ATOM 0 H GLY A 75 6.332 3.915 7.451 1.00 0.28 H new ATOM 0 HA2 GLY A 75 8.969 3.439 8.640 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.426 4.849 7.752 1.00 0.31 H new ATOM 1153 N GLY A 76 6.538 4.749 10.201 1.00 0.34 N ATOM 1154 CA GLY A 76 6.114 5.372 11.439 1.00 0.39 C ATOM 1155 C GLY A 76 5.507 6.748 11.241 1.00 0.38 C ATOM 1156 O GLY A 76 5.555 7.583 12.143 1.00 0.48 O ATOM 0 H GLY A 76 5.797 4.275 9.685 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.385 4.728 11.931 1.00 0.39 H new ATOM 0 HA3 GLY A 76 6.970 5.453 12.109 1.00 0.39 H new ATOM 1160 N ARG A 77 4.934 6.997 10.072 1.00 0.38 N ATOM 1161 CA ARG A 77 4.315 8.288 9.802 1.00 0.38 C ATOM 1162 C ARG A 77 2.816 8.232 10.039 1.00 0.37 C ATOM 1163 O ARG A 77 2.120 7.449 9.404 1.00 0.36 O ATOM 1164 CB ARG A 77 4.553 8.724 8.362 1.00 0.37 C ATOM 1165 CG ARG A 77 5.961 8.562 7.882 1.00 0.39 C ATOM 1166 CD ARG A 77 6.009 8.787 6.391 1.00 0.43 C ATOM 1167 NE ARG A 77 5.978 10.210 6.038 1.00 0.52 N ATOM 1168 CZ ARG A 77 6.583 10.715 4.963 1.00 0.67 C ATOM 1169 NH1 ARG A 77 7.299 9.931 4.177 1.00 0.80 N ATOM 1170 NH2 ARG A 77 6.492 12.011 4.689 1.00 0.85 N ATOM 0 H ARG A 77 4.884 6.330 9.302 1.00 0.38 H new ATOM 0 HA ARG A 77 4.773 9.006 10.483 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.894 8.151 7.710 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.268 9.771 8.263 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.614 9.272 8.390 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.327 7.564 8.123 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.915 8.335 5.987 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.165 8.281 5.923 1.00 0.43 H new ATOM 0 HE ARG A 77 5.466 10.848 6.648 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.389 8.938 4.392 1.00 0.80 H new ATOM 0 HH12 ARG A 77 7.762 10.319 3.355 1.00 0.80 H new ATOM 0 HH21 ARG A 77 5.957 12.626 5.303 1.00 0.85 H new ATOM 0 HH22 ARG A 77 6.957 12.392 3.865 1.00 0.85 H new ATOM 1184 N LYS A 78 2.324 9.059 10.944 1.00 0.42 N ATOM 1185 CA LYS A 78 0.898 9.105 11.230 1.00 0.43 C ATOM 1186 C LYS A 78 0.295 10.307 10.515 1.00 0.39 C ATOM 1187 O LYS A 78 0.808 11.420 10.629 1.00 0.44 O ATOM 1188 CB LYS A 78 0.637 9.178 12.739 1.00 0.57 C ATOM 1189 CG LYS A 78 1.157 7.971 13.505 1.00 0.75 C ATOM 1190 CD LYS A 78 2.593 8.178 13.960 1.00 1.12 C ATOM 1191 CE LYS A 78 3.292 6.867 14.291 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.450 5.954 15.107 1.00 1.76 N ATOM 0 H LYS A 78 2.888 9.707 11.493 1.00 0.42 H new ATOM 0 HA LYS A 78 0.428 8.190 10.869 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.103 10.079 13.137 1.00 0.57 H new ATOM 0 HB3 LYS A 78 -0.435 9.272 12.910 1.00 0.57 H new ATOM 0 HG2 LYS A 78 0.522 7.787 14.372 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.098 7.085 12.873 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.148 8.695 13.177 1.00 1.12 H new ATOM 0 HD3 LYS A 78 2.603 8.824 14.838 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.571 6.365 13.364 1.00 1.69 H new ATOM 0 HE3 LYS A 78 4.216 7.079 14.829 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.045 5.204 15.514 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 1.997 6.492 15.874 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.718 5.526 14.505 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.783 10.093 9.774 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.400 11.176 9.012 1.00 0.31 C ATOM 1208 C PHE A 79 -2.856 10.875 8.672 1.00 0.28 C ATOM 1209 O PHE A 79 -3.365 9.803 8.984 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.605 11.382 7.721 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.435 10.117 6.923 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.611 9.255 7.195 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.328 9.784 5.919 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.767 8.085 6.484 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.179 8.613 5.203 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.130 7.757 5.483 1.00 0.26 C ATOM 0 H PHE A 79 -1.247 9.189 9.683 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.386 12.078 9.624 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -1.109 12.127 7.106 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.378 11.784 7.967 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.316 9.502 7.975 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -2.150 10.447 5.693 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.590 7.423 6.708 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.883 8.365 4.423 1.00 1.16 H new ATOM 0 HZ PHE A 79 -0.012 6.840 4.925 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.518 11.837 8.035 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.905 11.684 7.619 1.00 0.33 C ATOM 1228 C LYS A 80 -5.041 12.079 6.157 1.00 0.27 C ATOM 1229 O LYS A 80 -4.460 13.078 5.721 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.849 12.544 8.468 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.917 12.149 9.934 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.961 12.978 10.780 1.00 0.81 C ATOM 1233 CE LYS A 80 -5.495 13.197 12.188 1.00 1.64 C ATOM 1234 NZ LYS A 80 -5.228 12.037 13.081 1.00 2.55 N ATOM 0 H LYS A 80 -3.109 12.740 7.795 1.00 0.29 H new ATOM 0 HA LYS A 80 -5.184 10.639 7.757 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.532 13.585 8.400 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.851 12.488 8.043 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.935 12.280 10.300 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.674 11.092 10.039 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.994 12.477 10.832 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.795 13.943 10.300 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -5.039 14.091 12.612 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.569 13.378 12.143 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -5.139 12.368 14.063 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -6.014 11.359 13.014 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -4.344 11.572 12.791 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.800 11.304 5.404 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.996 11.571 3.989 1.00 0.20 C ATOM 1250 C ALA A 81 -7.348 11.050 3.519 1.00 0.19 C ATOM 1251 O ALA A 81 -7.960 10.214 4.180 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.875 10.933 3.185 1.00 0.21 C ATOM 0 H ALA A 81 -6.293 10.481 5.750 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.979 12.650 3.834 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.027 11.136 2.125 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.918 11.349 3.501 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.875 9.856 3.352 1.00 0.21 H new ATOM 1258 N THR A 82 -7.811 11.545 2.378 1.00 0.19 N ATOM 1259 CA THR A 82 -9.089 11.115 1.826 1.00 0.19 C ATOM 1260 C THR A 82 -8.879 10.081 0.726 1.00 0.20 C ATOM 1261 O THR A 82 -7.949 10.190 -0.078 1.00 0.28 O ATOM 1262 CB THR A 82 -9.883 12.303 1.256 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.443 13.525 1.866 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.375 12.116 1.492 1.00 0.25 C ATOM 0 H THR A 82 -7.322 12.243 1.818 1.00 0.19 H new ATOM 0 HA THR A 82 -9.659 10.670 2.642 1.00 0.19 H new ATOM 0 HB THR A 82 -9.705 12.352 0.182 1.00 0.23 H new ATOM 0 HG1 THR A 82 -9.952 14.277 1.497 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.918 12.967 1.081 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.709 11.202 1.002 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.568 12.045 2.562 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.738 9.077 0.696 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.645 8.023 -0.297 1.00 0.15 C ATOM 1274 C VAL A 83 -10.952 7.922 -1.066 1.00 0.16 C ATOM 1275 O VAL A 83 -12.020 7.956 -0.468 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.352 6.665 0.363 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.238 5.584 -0.686 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.084 6.728 1.192 1.00 0.19 C ATOM 0 H VAL A 83 -10.512 8.970 1.352 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.828 8.272 -0.974 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.182 6.425 1.027 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.031 4.629 -0.203 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.174 5.515 -1.240 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.427 5.827 -1.373 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.899 5.756 1.648 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.243 6.994 0.551 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.197 7.480 1.973 1.00 0.19 H new ATOM 1288 N LYS A 84 -10.868 7.805 -2.381 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.056 7.701 -3.217 1.00 0.19 C ATOM 1290 C LYS A 84 -11.946 6.476 -4.125 1.00 0.19 C ATOM 1291 O LYS A 84 -10.936 5.772 -4.101 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.238 8.986 -4.036 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.004 9.378 -4.829 1.00 0.26 C ATOM 1294 CD LYS A 84 -10.868 10.883 -4.957 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.596 11.259 -5.697 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.422 12.732 -5.777 1.00 1.14 N ATOM 0 H LYS A 84 -9.987 7.779 -2.895 1.00 0.17 H new ATOM 0 HA LYS A 84 -12.935 7.578 -2.584 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.075 8.855 -4.722 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.502 9.802 -3.363 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.116 8.973 -4.343 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.054 8.932 -5.822 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.732 11.285 -5.486 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -10.862 11.336 -3.966 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -8.737 10.818 -5.191 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.623 10.841 -6.703 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.543 12.950 -6.289 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.230 13.150 -6.281 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.371 13.128 -4.817 1.00 1.14 H new ATOM 1310 N MET A 85 -12.975 6.217 -4.914 1.00 0.21 N ATOM 1311 CA MET A 85 -12.980 5.068 -5.806 1.00 0.22 C ATOM 1312 C MET A 85 -13.343 5.486 -7.220 1.00 0.28 C ATOM 1313 O MET A 85 -14.193 6.353 -7.420 1.00 0.41 O ATOM 1314 CB MET A 85 -13.974 4.015 -5.316 1.00 0.23 C ATOM 1315 CG MET A 85 -13.336 2.700 -4.913 1.00 0.21 C ATOM 1316 SD MET A 85 -14.568 1.470 -4.448 1.00 0.26 S ATOM 1317 CE MET A 85 -13.572 0.336 -3.488 1.00 0.25 C ATOM 0 H MET A 85 -13.820 6.787 -4.956 1.00 0.21 H new ATOM 0 HA MET A 85 -11.977 4.642 -5.809 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.522 4.417 -4.463 1.00 0.23 H new ATOM 0 HB3 MET A 85 -14.704 3.826 -6.103 1.00 0.23 H new ATOM 0 HG2 MET A 85 -12.737 2.319 -5.740 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.657 2.867 -4.077 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.209 -0.444 -3.071 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.816 -0.117 -4.130 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.083 0.877 -2.678 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.682 4.879 -8.187 1.00 0.26 N ATOM 1328 CA GLU A 86 -12.935 5.162 -9.589 1.00 0.32 C ATOM 1329 C GLU A 86 -13.083 3.862 -10.382 1.00 0.29 C ATOM 1330 O GLU A 86 -12.106 3.168 -10.648 1.00 0.36 O ATOM 1331 CB GLU A 86 -11.809 6.025 -10.172 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.424 5.668 -9.649 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.530 5.035 -10.698 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.980 4.850 -11.849 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -8.360 4.723 -10.380 1.00 2.67 O ATOM 0 H GLU A 86 -11.958 4.179 -8.026 1.00 0.26 H new ATOM 0 HA GLU A 86 -13.870 5.717 -9.666 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.813 5.926 -11.257 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.013 7.072 -9.947 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -9.944 6.569 -9.269 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.527 4.982 -8.808 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.319 3.524 -10.720 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.586 2.320 -11.483 1.00 0.46 C ATOM 1344 C GLY A 87 -14.171 1.050 -10.765 1.00 0.38 C ATOM 1345 O GLY A 87 -13.718 0.094 -11.394 1.00 0.36 O ATOM 0 H GLY A 87 -15.148 4.066 -10.478 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.651 2.270 -11.709 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.061 2.378 -12.436 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.316 1.040 -9.448 1.00 0.36 N ATOM 1350 CA GLY A 88 -13.946 -0.130 -8.673 1.00 0.33 C ATOM 1351 C GLY A 88 -12.474 -0.145 -8.310 1.00 0.27 C ATOM 1352 O GLY A 88 -11.934 -1.175 -7.914 1.00 0.32 O ATOM 0 H GLY A 88 -14.683 1.819 -8.901 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.542 -0.161 -7.761 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.186 -1.029 -9.241 1.00 0.33 H new ATOM 1356 N LYS A 89 -11.822 0.998 -8.457 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.405 1.126 -8.141 1.00 0.19 C ATOM 1358 C LYS A 89 -10.233 2.184 -7.068 1.00 0.17 C ATOM 1359 O LYS A 89 -10.705 3.307 -7.213 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.596 1.471 -9.400 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.056 0.708 -10.635 1.00 0.28 C ATOM 1362 CD LYS A 89 -8.996 0.651 -11.727 1.00 0.52 C ATOM 1363 CE LYS A 89 -8.546 2.033 -12.179 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.332 2.491 -11.451 1.00 1.76 N ATOM 0 H LYS A 89 -12.254 1.857 -8.796 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.027 0.175 -7.766 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -9.673 2.541 -9.592 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.543 1.255 -9.218 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.329 -0.307 -10.348 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -10.955 1.179 -11.033 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.133 0.093 -11.362 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -9.391 0.103 -12.583 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -8.341 2.015 -13.249 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.354 2.747 -12.021 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -7.554 3.353 -10.913 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.018 1.746 -10.797 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -6.574 2.695 -12.133 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.585 1.811 -5.986 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.376 2.717 -4.872 1.00 0.16 C ATOM 1380 C ILE A 90 -8.213 3.668 -5.134 1.00 0.17 C ATOM 1381 O ILE A 90 -7.083 3.228 -5.333 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.095 1.939 -3.572 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.075 0.769 -3.426 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.181 2.868 -2.381 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.241 0.267 -2.004 1.00 0.20 C ATOM 0 H ILE A 90 -9.190 0.880 -5.851 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.293 3.296 -4.762 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.086 1.530 -3.617 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.049 1.077 -3.806 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.734 -0.055 -4.052 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -8.981 2.308 -1.468 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.445 3.665 -2.487 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.180 3.302 -2.329 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -10.951 -0.560 -1.991 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.278 -0.075 -1.624 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.614 1.075 -1.374 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.492 4.962 -5.138 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.465 5.963 -5.354 1.00 0.17 C ATOM 1399 C VAL A 91 -7.364 6.912 -4.155 1.00 0.16 C ATOM 1400 O VAL A 91 -8.369 7.451 -3.676 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.712 6.764 -6.654 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.091 7.401 -6.666 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.636 7.823 -6.855 1.00 0.25 C ATOM 0 H VAL A 91 -9.427 5.343 -4.993 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.518 5.435 -5.461 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.663 6.058 -7.483 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.228 7.955 -7.595 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -9.852 6.624 -6.592 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.185 8.082 -5.820 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -6.833 8.372 -7.776 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.644 8.514 -6.012 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.660 7.342 -6.921 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.150 7.089 -3.662 1.00 0.18 N ATOM 1414 CA ALA A 92 -5.895 7.962 -2.524 1.00 0.19 C ATOM 1415 C ALA A 92 -5.235 9.254 -2.989 1.00 0.20 C ATOM 1416 O ALA A 92 -4.401 9.235 -3.898 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.025 7.246 -1.502 1.00 0.22 C ATOM 0 H ALA A 92 -5.316 6.635 -4.035 1.00 0.18 H new ATOM 0 HA ALA A 92 -6.843 8.216 -2.050 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.840 7.907 -0.655 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.535 6.347 -1.156 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.076 6.971 -1.961 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.615 10.371 -2.378 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.060 11.669 -2.751 1.00 0.26 C ATOM 1425 C ASP A 93 -3.920 12.072 -1.831 1.00 0.22 C ATOM 1426 O ASP A 93 -4.086 12.159 -0.613 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.141 12.750 -2.730 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.567 14.138 -2.944 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.277 14.491 -4.109 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.399 14.882 -1.950 1.00 1.19 O ATOM 0 H ASP A 93 -6.302 10.405 -1.625 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.670 11.572 -3.764 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.878 12.540 -3.505 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.665 12.719 -1.775 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.767 12.313 -2.432 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.568 12.720 -1.709 1.00 0.21 C ATOM 1437 C PHE A 94 -0.749 13.674 -2.568 1.00 0.24 C ATOM 1438 O PHE A 94 -0.854 13.645 -3.798 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.720 11.495 -1.354 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.288 10.664 -0.251 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.061 11.000 1.072 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -2.059 9.554 -0.541 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.596 10.239 2.091 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.596 8.788 0.472 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.365 9.129 1.791 1.00 0.25 C ATOM 0 H PHE A 94 -2.633 12.232 -3.440 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.867 13.223 -0.789 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.607 10.874 -2.242 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.278 11.827 -1.068 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.460 11.865 1.309 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.242 9.284 -1.571 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.415 10.509 3.121 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.197 7.922 0.235 1.00 1.14 H new ATOM 0 HZ PHE A 94 -2.784 8.530 2.586 1.00 0.25 H new ATOM 1455 N PRO A 95 0.073 14.534 -1.944 1.00 0.26 N ATOM 1456 CA PRO A 95 0.913 15.479 -2.682 1.00 0.29 C ATOM 1457 C PRO A 95 1.991 14.756 -3.486 1.00 0.26 C ATOM 1458 O PRO A 95 2.909 14.169 -2.914 1.00 0.27 O ATOM 1459 CB PRO A 95 1.545 16.337 -1.580 1.00 0.36 C ATOM 1460 CG PRO A 95 1.447 15.526 -0.332 1.00 0.32 C ATOM 1461 CD PRO A 95 0.230 14.659 -0.483 1.00 0.28 C ATOM 0 HA PRO A 95 0.346 16.062 -3.408 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.583 16.572 -1.814 1.00 0.36 H new ATOM 0 HB3 PRO A 95 1.020 17.286 -1.473 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.341 14.919 -0.192 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.359 16.170 0.543 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.369 13.687 -0.010 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.647 15.115 -0.023 1.00 0.28 H new ATOM 1469 N ASN A 96 1.859 14.803 -4.813 1.00 0.27 N ATOM 1470 CA ASN A 96 2.799 14.155 -5.736 1.00 0.29 C ATOM 1471 C ASN A 96 2.812 12.635 -5.562 1.00 0.28 C ATOM 1472 O ASN A 96 3.674 11.948 -6.108 1.00 0.37 O ATOM 1473 CB ASN A 96 4.213 14.713 -5.563 1.00 0.35 C ATOM 1474 CG ASN A 96 4.879 15.001 -6.895 1.00 0.77 C ATOM 1475 OD1 ASN A 96 4.611 14.337 -7.898 1.00 1.27 O ATOM 1476 ND2 ASN A 96 5.752 15.994 -6.918 1.00 1.50 N ATOM 0 H ASN A 96 1.096 15.292 -5.281 1.00 0.27 H new ATOM 0 HA ASN A 96 2.454 14.376 -6.746 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.171 15.629 -4.973 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.818 14.000 -5.002 1.00 0.35 H new ATOM 0 HD21 ASN A 96 6.230 16.233 -7.787 1.00 1.50 H new ATOM 0 HD22 ASN A 96 5.948 16.521 -6.067 1.00 1.50 H new ATOM 1483 N TYR A 97 1.848 12.121 -4.811 1.00 0.23 N ATOM 1484 CA TYR A 97 1.735 10.692 -4.566 1.00 0.21 C ATOM 1485 C TYR A 97 0.333 10.233 -4.951 1.00 0.21 C ATOM 1486 O TYR A 97 -0.664 10.807 -4.513 1.00 0.24 O ATOM 1487 CB TYR A 97 2.037 10.383 -3.093 1.00 0.22 C ATOM 1488 CG TYR A 97 2.299 8.917 -2.782 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.316 7.950 -2.968 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.529 8.506 -2.281 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.553 6.621 -2.669 1.00 1.14 C ATOM 1492 CE2 TYR A 97 3.773 7.178 -1.980 1.00 1.31 C ATOM 1493 CZ TYR A 97 2.780 6.241 -2.176 1.00 0.32 C ATOM 1494 OH TYR A 97 3.015 4.919 -1.870 1.00 0.38 O ATOM 0 H TYR A 97 1.126 12.680 -4.357 1.00 0.23 H new ATOM 0 HA TYR A 97 2.461 10.151 -5.172 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.907 10.964 -2.787 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.197 10.723 -2.487 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.350 8.243 -3.353 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.308 9.237 -2.124 1.00 1.28 H new ATOM 0 HE1 TYR A 97 0.778 5.884 -2.822 1.00 1.14 H new ATOM 0 HE2 TYR A 97 4.735 6.877 -1.594 1.00 1.31 H new ATOM 0 HH TYR A 97 2.318 4.361 -2.274 1.00 0.38 H new ATOM 1504 N HIS A 98 0.269 9.213 -5.781 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.998 8.681 -6.251 1.00 0.22 C ATOM 1506 C HIS A 98 -1.060 7.189 -5.989 1.00 0.21 C ATOM 1507 O HIS A 98 -0.349 6.417 -6.627 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.152 8.952 -7.748 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.544 9.329 -8.151 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.170 10.476 -7.715 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.421 8.715 -8.978 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.373 10.547 -8.249 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.550 9.493 -9.021 1.00 1.09 N ATOM 0 H HIS A 98 1.088 8.729 -6.149 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.811 9.171 -5.714 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.471 9.753 -8.035 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.851 8.063 -8.302 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -3.262 7.786 -9.506 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.092 11.335 -8.082 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.390 9.289 -9.562 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.899 6.789 -5.044 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.044 5.382 -4.702 1.00 0.22 C ATOM 1524 C HIS A 99 -3.350 4.835 -5.255 1.00 0.21 C ATOM 1525 O HIS A 99 -4.424 5.325 -4.912 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.004 5.189 -3.183 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.622 3.803 -2.755 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.416 3.556 -2.148 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.313 2.639 -2.865 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.394 2.256 -1.904 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.518 1.661 -2.321 1.00 0.49 N ATOM 0 H HIS A 99 -2.489 7.419 -4.501 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.212 4.836 -5.148 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.296 5.899 -2.755 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.984 5.429 -2.770 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.295 2.508 -3.296 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.427 1.740 -1.428 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.742 0.668 -2.248 1.00 0.49 H new ATOM 1539 N THR A 100 -3.252 3.846 -6.122 1.00 0.22 N ATOM 1540 CA THR A 100 -4.429 3.225 -6.702 1.00 0.22 C ATOM 1541 C THR A 100 -4.398 1.717 -6.494 1.00 0.23 C ATOM 1542 O THR A 100 -3.387 1.070 -6.768 1.00 0.31 O ATOM 1543 CB THR A 100 -4.559 3.538 -8.206 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.327 3.254 -8.884 1.00 0.26 O ATOM 1545 CG2 THR A 100 -4.927 4.996 -8.421 1.00 0.24 C ATOM 0 H THR A 100 -2.367 3.453 -6.442 1.00 0.22 H new ATOM 0 HA THR A 100 -5.297 3.643 -6.191 1.00 0.22 H new ATOM 0 HB THR A 100 -5.349 2.908 -8.614 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.425 3.456 -9.838 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.014 5.196 -9.489 1.00 0.24 H new ATOM 0 HG22 THR A 100 -5.879 5.207 -7.934 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.153 5.633 -7.994 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.490 1.178 -5.985 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.603 -0.248 -5.735 1.00 0.23 C ATOM 1555 C ALA A 101 -6.781 -0.826 -6.503 1.00 0.22 C ATOM 1556 O ALA A 101 -7.865 -0.243 -6.522 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.755 -0.513 -4.247 1.00 0.26 C ATOM 0 H ALA A 101 -6.321 1.713 -5.734 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.692 -0.737 -6.081 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.839 -1.586 -4.075 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.883 -0.128 -3.718 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.652 -0.016 -3.879 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.573 -1.969 -7.133 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.621 -2.611 -7.912 1.00 0.23 C ATOM 1565 C GLU A 102 -7.421 -4.118 -7.946 1.00 0.24 C ATOM 1566 O GLU A 102 -6.389 -4.632 -7.503 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.642 -2.043 -9.336 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.280 -2.055 -10.002 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.058 -0.863 -10.910 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.099 0.290 -10.422 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -5.840 -1.072 -12.120 1.00 1.38 O ATOM 0 H GLU A 102 -5.687 -2.474 -7.121 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.580 -2.406 -7.436 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.341 -2.621 -9.941 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -8.016 -1.020 -9.307 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.506 -2.070 -9.235 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.172 -2.972 -10.581 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.418 -4.811 -8.474 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.385 -6.258 -8.588 1.00 0.29 C ATOM 1580 C ILE A 103 -8.210 -6.640 -10.049 1.00 0.31 C ATOM 1581 O ILE A 103 -8.994 -6.235 -10.906 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.676 -6.919 -8.038 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.940 -6.489 -6.589 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.577 -8.438 -8.132 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.897 -6.971 -5.607 1.00 0.37 C ATOM 0 H ILE A 103 -9.272 -4.385 -8.835 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.548 -6.619 -7.991 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.514 -6.584 -8.649 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.989 -5.401 -6.547 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.916 -6.865 -6.281 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.491 -8.887 -7.742 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.445 -8.730 -9.174 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.725 -8.784 -7.547 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -9.154 -6.627 -4.605 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.862 -8.060 -5.619 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.922 -6.574 -5.888 1.00 0.37 H new ATOM 1597 N SER A 104 -7.169 -7.389 -10.337 1.00 0.34 N ATOM 1598 CA SER A 104 -6.903 -7.810 -11.693 1.00 0.38 C ATOM 1599 C SER A 104 -6.515 -9.283 -11.724 1.00 0.48 C ATOM 1600 O SER A 104 -5.383 -9.651 -11.410 1.00 0.88 O ATOM 1601 CB SER A 104 -5.808 -6.929 -12.295 1.00 0.55 C ATOM 1602 OG SER A 104 -6.261 -5.592 -12.439 1.00 1.37 O ATOM 0 H SER A 104 -6.492 -7.719 -9.649 1.00 0.34 H new ATOM 0 HA SER A 104 -7.805 -7.696 -12.294 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.924 -6.952 -11.657 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.510 -7.324 -13.266 1.00 0.55 H new ATOM 0 HG SER A 104 -5.546 -5.044 -12.824 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.486 -10.124 -12.066 1.00 0.53 N ATOM 1609 CA GLY A 105 -7.251 -11.554 -12.123 1.00 0.64 C ATOM 1610 C GLY A 105 -7.211 -12.170 -10.740 1.00 0.63 C ATOM 1611 O GLY A 105 -6.445 -13.102 -10.483 1.00 0.96 O ATOM 0 H GLY A 105 -8.435 -9.838 -12.306 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -8.037 -12.029 -12.710 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -6.309 -11.748 -12.635 1.00 0.64 H new ATOM 1615 N GLY A 106 -8.045 -11.647 -9.849 1.00 0.49 N ATOM 1616 CA GLY A 106 -8.083 -12.138 -8.488 1.00 0.50 C ATOM 1617 C GLY A 106 -6.819 -11.771 -7.736 1.00 0.44 C ATOM 1618 O GLY A 106 -6.381 -12.494 -6.841 1.00 0.48 O ATOM 0 H GLY A 106 -8.697 -10.889 -10.048 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.949 -11.722 -7.973 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.205 -13.221 -8.493 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.233 -10.648 -8.114 1.00 0.38 N ATOM 1623 CA LYS A 107 -5.008 -10.180 -7.492 1.00 0.35 C ATOM 1624 C LYS A 107 -5.093 -8.693 -7.189 1.00 0.32 C ATOM 1625 O LYS A 107 -5.727 -7.936 -7.924 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.818 -10.456 -8.414 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.190 -11.822 -8.201 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.493 -12.320 -9.454 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.565 -13.485 -9.155 1.00 0.75 C ATOM 1630 NZ LYS A 107 -2.296 -14.674 -8.640 1.00 1.22 N ATOM 0 H LYS A 107 -6.589 -10.041 -8.853 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.870 -10.717 -6.553 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -4.145 -10.373 -9.451 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -3.061 -9.688 -8.256 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.473 -11.769 -7.382 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.960 -12.535 -7.905 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -3.238 -12.627 -10.187 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.923 -11.506 -9.901 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -1.025 -13.758 -10.062 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.820 -13.174 -8.422 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -1.623 -15.447 -8.467 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.777 -14.428 -7.751 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -3.001 -14.979 -9.341 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.456 -8.283 -6.108 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.440 -6.887 -5.710 1.00 0.28 C ATOM 1646 C LEU A 108 -3.215 -6.216 -6.305 1.00 0.27 C ATOM 1647 O LEU A 108 -2.086 -6.552 -5.955 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.383 -6.773 -4.183 1.00 0.29 C ATOM 1649 CG LEU A 108 -5.005 -5.516 -3.550 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -4.719 -4.267 -4.367 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -6.499 -5.688 -3.360 1.00 0.76 C ATOM 0 H LEU A 108 -3.938 -8.903 -5.485 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.347 -6.402 -6.070 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -4.880 -7.646 -3.760 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.337 -6.823 -3.879 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.539 -5.387 -2.573 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -5.176 -3.404 -3.884 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -3.642 -4.116 -4.436 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -5.133 -4.384 -5.368 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -6.915 -4.786 -2.911 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -6.971 -5.863 -4.327 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.687 -6.539 -2.705 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.438 -5.290 -7.213 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.346 -4.566 -7.826 1.00 0.29 C ATOM 1665 C VAL A 109 -2.417 -3.100 -7.418 1.00 0.29 C ATOM 1666 O VAL A 109 -3.363 -2.387 -7.759 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.337 -4.725 -9.368 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.718 -4.488 -9.961 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.303 -3.802 -10.003 1.00 0.32 C ATOM 0 H VAL A 109 -4.365 -5.021 -7.543 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.408 -4.990 -7.469 1.00 0.29 H new ATOM 0 HB VAL A 109 -2.057 -5.754 -9.593 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.675 -4.608 -11.044 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.422 -5.209 -9.544 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -4.049 -3.478 -9.721 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -1.315 -3.932 -11.085 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.541 -2.767 -9.759 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.312 -4.047 -9.620 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.439 -2.677 -6.635 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.383 -1.306 -6.157 1.00 0.30 C ATOM 1681 C GLU A 110 -0.351 -0.504 -6.939 1.00 0.28 C ATOM 1682 O GLU A 110 0.777 -0.953 -7.146 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.047 -1.271 -4.663 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.126 -1.869 -3.775 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.596 -2.287 -2.419 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.030 -3.398 -2.318 1.00 1.45 O ATOM 1687 OE2 GLU A 110 -1.733 -1.504 -1.455 1.00 1.69 O ATOM 0 H GLU A 110 -0.670 -3.266 -6.316 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.364 -0.856 -6.309 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.114 -1.810 -4.498 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.875 -0.237 -4.363 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -2.926 -1.141 -3.640 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.563 -2.734 -4.273 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.762 0.671 -7.382 1.00 0.26 N ATOM 1695 CA ILE A 111 0.107 1.565 -8.127 1.00 0.24 C ATOM 1696 C ILE A 111 0.333 2.837 -7.318 1.00 0.25 C ATOM 1697 O ILE A 111 -0.624 3.471 -6.873 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.485 1.938 -9.510 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.580 0.714 -10.431 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.363 3.015 -10.169 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -1.850 -0.095 -10.270 1.00 0.37 C ATOM 0 H ILE A 111 -1.705 1.032 -7.236 1.00 0.26 H new ATOM 0 HA ILE A 111 1.049 1.045 -8.298 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.494 2.317 -9.348 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.505 1.047 -11.466 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.275 0.065 -10.242 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.062 3.269 -11.140 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.380 3.903 -9.537 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.380 2.646 -10.303 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -1.833 -0.940 -10.958 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -1.920 -0.463 -9.246 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.713 0.534 -10.489 1.00 0.37 H new ATOM 1713 N SER A 112 1.593 3.192 -7.125 1.00 0.23 N ATOM 1714 CA SER A 112 1.959 4.382 -6.371 1.00 0.24 C ATOM 1715 C SER A 112 2.861 5.284 -7.201 1.00 0.22 C ATOM 1716 O SER A 112 4.030 4.975 -7.426 1.00 0.25 O ATOM 1717 CB SER A 112 2.666 3.984 -5.076 1.00 0.28 C ATOM 1718 OG SER A 112 1.935 3.000 -4.365 1.00 0.37 O ATOM 0 H SER A 112 2.389 2.666 -7.485 1.00 0.23 H new ATOM 0 HA SER A 112 1.050 4.931 -6.127 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.661 3.604 -5.306 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.799 4.865 -4.448 1.00 0.28 H new ATOM 0 HG SER A 112 1.295 3.438 -3.765 1.00 0.37 H new ATOM 1724 N THR A 113 2.307 6.380 -7.676 1.00 0.22 N ATOM 1725 CA THR A 113 3.065 7.326 -8.472 1.00 0.22 C ATOM 1726 C THR A 113 3.628 8.431 -7.587 1.00 0.23 C ATOM 1727 O THR A 113 2.934 8.925 -6.700 1.00 0.26 O ATOM 1728 CB THR A 113 2.185 7.954 -9.561 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.058 7.107 -9.820 1.00 0.27 O ATOM 1730 CG2 THR A 113 2.976 8.154 -10.839 1.00 0.27 C ATOM 0 H THR A 113 1.332 6.639 -7.525 1.00 0.22 H new ATOM 0 HA THR A 113 3.883 6.783 -8.945 1.00 0.22 H new ATOM 0 HB THR A 113 1.839 8.926 -9.210 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.497 7.512 -10.514 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.334 8.600 -11.598 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.821 8.815 -10.644 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.343 7.191 -11.194 1.00 0.27 H new ATOM 1738 N SER A 114 4.881 8.796 -7.818 1.00 0.25 N ATOM 1739 CA SER A 114 5.526 9.845 -7.045 1.00 0.30 C ATOM 1740 C SER A 114 6.576 10.570 -7.884 1.00 0.29 C ATOM 1741 O SER A 114 7.580 9.976 -8.289 1.00 0.30 O ATOM 1742 CB SER A 114 6.170 9.261 -5.785 1.00 0.38 C ATOM 1743 OG SER A 114 7.083 8.230 -6.114 1.00 1.43 O ATOM 0 H SER A 114 5.472 8.379 -8.537 1.00 0.25 H new ATOM 0 HA SER A 114 4.764 10.566 -6.749 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.687 10.049 -5.238 1.00 0.38 H new ATOM 0 HB3 SER A 114 5.396 8.870 -5.125 1.00 0.38 H new ATOM 0 HG SER A 114 6.789 7.390 -5.705 1.00 1.43 H new ATOM 1749 N SER A 115 6.310 11.844 -8.165 1.00 0.37 N ATOM 1750 CA SER A 115 7.221 12.691 -8.938 1.00 0.47 C ATOM 1751 C SER A 115 7.576 12.077 -10.298 1.00 0.47 C ATOM 1752 O SER A 115 8.691 12.245 -10.794 1.00 0.57 O ATOM 1753 CB SER A 115 8.488 12.951 -8.120 1.00 0.54 C ATOM 1754 OG SER A 115 8.163 13.386 -6.809 1.00 0.63 O ATOM 0 H SER A 115 5.459 12.319 -7.865 1.00 0.37 H new ATOM 0 HA SER A 115 6.712 13.633 -9.143 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.085 12.041 -8.068 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.098 13.705 -8.617 1.00 0.54 H new ATOM 0 HG SER A 115 8.987 13.545 -6.303 1.00 0.63 H new ATOM 1760 N GLY A 116 6.626 11.370 -10.897 1.00 0.42 N ATOM 1761 CA GLY A 116 6.859 10.765 -12.194 1.00 0.46 C ATOM 1762 C GLY A 116 7.085 9.268 -12.123 1.00 0.40 C ATOM 1763 O GLY A 116 6.720 8.537 -13.046 1.00 0.46 O ATOM 0 H GLY A 116 5.698 11.205 -10.507 1.00 0.42 H new ATOM 0 HA2 GLY A 116 6.005 10.967 -12.840 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.727 11.235 -12.656 1.00 0.46 H new ATOM 1767 N VAL A 117 7.674 8.802 -11.029 1.00 0.33 N ATOM 1768 CA VAL A 117 7.943 7.379 -10.864 1.00 0.29 C ATOM 1769 C VAL A 117 6.667 6.637 -10.492 1.00 0.28 C ATOM 1770 O VAL A 117 5.980 7.006 -9.541 1.00 0.29 O ATOM 1771 CB VAL A 117 9.018 7.115 -9.788 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.220 5.621 -9.582 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.333 7.780 -10.166 1.00 0.53 C ATOM 0 H VAL A 117 7.973 9.384 -10.247 1.00 0.33 H new ATOM 0 HA VAL A 117 8.319 7.013 -11.819 1.00 0.29 H new ATOM 0 HB VAL A 117 8.670 7.548 -8.850 1.00 0.30 H new ATOM 0 HG11 VAL A 117 9.982 5.459 -8.820 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.282 5.168 -9.260 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.541 5.165 -10.518 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.076 7.581 -9.394 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.683 7.380 -11.118 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.184 8.856 -10.257 1.00 0.53 H new ATOM 1783 N VAL A 118 6.349 5.605 -11.255 1.00 0.27 N ATOM 1784 CA VAL A 118 5.160 4.814 -11.009 1.00 0.27 C ATOM 1785 C VAL A 118 5.520 3.431 -10.460 1.00 0.25 C ATOM 1786 O VAL A 118 6.042 2.573 -11.169 1.00 0.29 O ATOM 1787 CB VAL A 118 4.304 4.681 -12.290 1.00 0.29 C ATOM 1788 CG1 VAL A 118 5.136 4.162 -13.447 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.104 3.785 -12.043 1.00 0.86 C ATOM 0 H VAL A 118 6.903 5.296 -12.054 1.00 0.27 H new ATOM 0 HA VAL A 118 4.569 5.336 -10.256 1.00 0.27 H new ATOM 0 HB VAL A 118 3.939 5.673 -12.557 1.00 0.29 H new ATOM 0 HG11 VAL A 118 4.511 4.078 -14.336 1.00 0.97 H new ATOM 0 HG12 VAL A 118 5.956 4.853 -13.644 1.00 0.97 H new ATOM 0 HG13 VAL A 118 5.540 3.182 -13.194 1.00 0.97 H new ATOM 0 HG21 VAL A 118 2.515 3.705 -12.957 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.445 2.794 -11.743 1.00 0.86 H new ATOM 0 HG23 VAL A 118 2.488 4.212 -11.251 1.00 0.86 H new ATOM 1799 N TYR A 119 5.257 3.242 -9.184 1.00 0.22 N ATOM 1800 CA TYR A 119 5.526 1.978 -8.507 1.00 0.21 C ATOM 1801 C TYR A 119 4.318 1.062 -8.625 1.00 0.22 C ATOM 1802 O TYR A 119 3.184 1.500 -8.459 1.00 0.29 O ATOM 1803 CB TYR A 119 5.852 2.226 -7.031 1.00 0.22 C ATOM 1804 CG TYR A 119 5.993 0.967 -6.201 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.893 -0.032 -6.554 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.221 0.779 -5.064 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.016 -1.181 -5.798 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.341 -0.366 -4.302 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.238 -1.343 -4.673 1.00 0.34 C ATOM 1810 OH TYR A 119 6.359 -2.486 -3.916 1.00 0.43 O ATOM 0 H TYR A 119 4.850 3.957 -8.581 1.00 0.22 H new ATOM 0 HA TYR A 119 6.384 1.501 -8.980 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.780 2.794 -6.967 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.068 2.846 -6.598 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.506 0.093 -7.434 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.514 1.541 -4.770 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.719 -1.949 -6.087 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.734 -0.495 -3.418 1.00 1.22 H new ATOM 0 HH TYR A 119 5.741 -2.443 -3.157 1.00 0.43 H new ATOM 1820 N LYS A 120 4.562 -0.199 -8.928 1.00 0.21 N ATOM 1821 CA LYS A 120 3.497 -1.166 -9.070 1.00 0.23 C ATOM 1822 C LYS A 120 3.826 -2.447 -8.313 1.00 0.24 C ATOM 1823 O LYS A 120 4.971 -2.883 -8.301 1.00 0.29 O ATOM 1824 CB LYS A 120 3.290 -1.456 -10.551 1.00 0.28 C ATOM 1825 CG LYS A 120 2.695 -0.280 -11.296 1.00 0.31 C ATOM 1826 CD LYS A 120 3.305 -0.108 -12.672 1.00 0.46 C ATOM 1827 CE LYS A 120 2.463 -0.791 -13.732 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.117 -0.750 -15.067 1.00 1.17 N ATOM 0 H LYS A 120 5.497 -0.577 -9.081 1.00 0.21 H new ATOM 0 HA LYS A 120 2.579 -0.759 -8.646 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.246 -1.722 -11.003 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.635 -2.320 -10.660 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.618 -0.420 -11.392 1.00 0.31 H new ATOM 0 HG3 LYS A 120 2.847 0.630 -10.716 1.00 0.31 H new ATOM 0 HD2 LYS A 120 3.395 0.953 -12.903 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.313 -0.523 -12.681 1.00 0.46 H new ATOM 0 HE2 LYS A 120 2.288 -1.828 -13.445 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.488 -0.307 -13.790 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.722 -1.499 -15.670 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 2.947 0.176 -15.509 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 4.141 -0.898 -14.957 1.00 1.17 H new ATOM 1842 N ARG A 121 2.832 -3.025 -7.656 1.00 0.25 N ATOM 1843 CA ARG A 121 3.030 -4.262 -6.911 1.00 0.28 C ATOM 1844 C ARG A 121 1.781 -5.122 -6.964 1.00 0.28 C ATOM 1845 O ARG A 121 0.669 -4.645 -6.731 1.00 0.34 O ATOM 1846 CB ARG A 121 3.416 -3.971 -5.452 1.00 0.36 C ATOM 1847 CG ARG A 121 2.517 -2.953 -4.767 1.00 0.59 C ATOM 1848 CD ARG A 121 1.784 -3.554 -3.576 1.00 0.84 C ATOM 1849 NE ARG A 121 2.702 -3.983 -2.520 1.00 1.20 N ATOM 1850 CZ ARG A 121 2.325 -4.249 -1.270 1.00 1.59 C ATOM 1851 NH1 ARG A 121 1.051 -4.127 -0.904 1.00 1.88 N ATOM 1852 NH2 ARG A 121 3.231 -4.627 -0.374 1.00 2.48 N ATOM 0 H ARG A 121 1.881 -2.659 -7.623 1.00 0.25 H new ATOM 0 HA ARG A 121 3.850 -4.808 -7.378 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.389 -4.903 -4.887 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.444 -3.610 -5.424 1.00 0.36 H new ATOM 0 HG2 ARG A 121 3.116 -2.105 -4.435 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.791 -2.569 -5.484 1.00 0.59 H new ATOM 0 HD2 ARG A 121 1.087 -2.820 -3.173 1.00 0.84 H new ATOM 0 HD3 ARG A 121 1.192 -4.407 -3.909 1.00 0.84 H new ATOM 0 HE ARG A 121 3.689 -4.084 -2.755 1.00 1.20 H new ATOM 0 HH11 ARG A 121 0.352 -3.827 -1.583 1.00 1.88 H new ATOM 0 HH12 ARG A 121 0.774 -4.333 0.056 1.00 1.88 H new ATOM 0 HH21 ARG A 121 4.211 -4.713 -0.644 1.00 2.48 H new ATOM 0 HH22 ARG A 121 2.946 -4.832 0.584 1.00 2.48 H new ATOM 1866 N THR A 122 1.969 -6.380 -7.292 1.00 0.27 N ATOM 1867 CA THR A 122 0.873 -7.315 -7.370 1.00 0.27 C ATOM 1868 C THR A 122 0.912 -8.254 -6.174 1.00 0.25 C ATOM 1869 O THR A 122 1.976 -8.739 -5.793 1.00 0.29 O ATOM 1870 CB THR A 122 0.953 -8.130 -8.669 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.204 -7.255 -9.775 1.00 0.43 O ATOM 1872 CG2 THR A 122 -0.326 -8.917 -8.905 1.00 0.34 C ATOM 0 H THR A 122 2.881 -6.781 -7.511 1.00 0.27 H new ATOM 0 HA THR A 122 -0.063 -6.756 -7.364 1.00 0.27 H new ATOM 0 HB THR A 122 1.773 -8.842 -8.576 1.00 0.31 H new ATOM 0 HG1 THR A 122 2.171 -7.161 -9.905 1.00 0.43 H new ATOM 0 HG21 THR A 122 -0.239 -9.484 -9.832 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.489 -9.603 -8.074 1.00 0.34 H new ATOM 0 HG23 THR A 122 -1.168 -8.229 -8.978 1.00 0.34 H new ATOM 1880 N SER A 123 -0.240 -8.475 -5.566 1.00 0.24 N ATOM 1881 CA SER A 123 -0.331 -9.357 -4.420 1.00 0.23 C ATOM 1882 C SER A 123 -1.365 -10.452 -4.663 1.00 0.23 C ATOM 1883 O SER A 123 -2.440 -10.200 -5.213 1.00 0.25 O ATOM 1884 CB SER A 123 -0.678 -8.547 -3.170 1.00 0.25 C ATOM 1885 OG SER A 123 0.164 -7.410 -3.056 1.00 0.38 O ATOM 0 H SER A 123 -1.125 -8.055 -5.848 1.00 0.24 H new ATOM 0 HA SER A 123 0.635 -9.839 -4.268 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.720 -8.230 -3.214 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.572 -9.174 -2.284 1.00 0.25 H new ATOM 0 HG SER A 123 -0.076 -6.905 -2.251 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.017 -11.669 -4.271 1.00 0.23 N ATOM 1892 CA LYS A 124 -1.900 -12.818 -4.440 1.00 0.25 C ATOM 1893 C LYS A 124 -2.988 -12.828 -3.367 1.00 0.22 C ATOM 1894 O LYS A 124 -2.804 -12.260 -2.293 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.089 -14.115 -4.370 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.455 -14.358 -3.008 1.00 0.31 C ATOM 1897 CD LYS A 124 0.429 -15.594 -2.998 1.00 0.43 C ATOM 1898 CE LYS A 124 1.076 -15.788 -1.639 1.00 0.61 C ATOM 1899 NZ LYS A 124 1.860 -17.045 -1.562 1.00 1.45 N ATOM 0 H LYS A 124 -0.124 -11.889 -3.831 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.378 -12.743 -5.417 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -1.739 -14.955 -4.615 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.306 -14.086 -5.127 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.137 -13.488 -2.724 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.239 -14.468 -2.259 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.165 -16.472 -3.251 1.00 0.43 H new ATOM 0 HD3 LYS A 124 1.201 -15.500 -3.762 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.729 -14.942 -1.426 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.304 -15.796 -0.870 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 2.282 -17.133 -0.616 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 1.234 -17.856 -1.739 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.614 -17.028 -2.278 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.112 -13.474 -3.660 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.216 -13.550 -2.711 1.00 0.23 C ATOM 1915 C LYS A 125 -5.199 -14.886 -1.984 1.00 0.25 C ATOM 1916 O LYS A 125 -5.240 -15.949 -2.603 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.566 -13.372 -3.417 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.589 -12.555 -2.629 1.00 0.29 C ATOM 1919 CD LYS A 125 -7.811 -13.106 -1.227 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.158 -13.801 -1.104 1.00 0.39 C ATOM 1921 NZ LYS A 125 -9.341 -14.411 0.239 1.00 1.45 N ATOM 0 H LYS A 125 -4.282 -13.951 -4.545 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.089 -12.742 -1.990 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.398 -12.889 -4.380 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -6.987 -14.356 -3.623 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.251 -11.521 -2.561 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.536 -12.546 -3.168 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.015 -13.809 -0.982 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -7.753 -12.293 -0.503 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.956 -13.083 -1.289 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.240 -14.573 -1.869 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -9.759 -15.358 0.136 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -8.419 -14.489 0.713 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -9.974 -13.813 0.808 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.139 -14.817 -0.671 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.133 -16.003 0.165 1.00 0.28 C ATOM 1937 C ILE A 126 -5.971 -15.745 1.400 1.00 0.30 C ATOM 1938 O ILE A 126 -6.407 -14.615 1.628 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.716 -16.432 0.605 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.625 -15.705 -0.190 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.559 -17.937 0.463 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.079 -14.486 0.515 1.00 0.27 C ATOM 0 H ILE A 126 -5.093 -13.940 -0.152 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.545 -16.815 -0.434 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.596 -16.154 1.652 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -1.807 -16.398 -0.387 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.029 -15.405 -1.157 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.557 -18.229 0.776 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.296 -18.440 1.089 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -3.712 -18.222 -0.578 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.312 -14.021 -0.104 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -2.886 -13.774 0.688 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.645 -14.782 1.470 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.263 -16.782 2.160 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.028 -16.627 3.382 1.00 0.44 C ATOM 1956 C ALA A 127 -6.390 -17.453 4.490 1.00 0.67 C ATOM 1957 O ALA A 127 -6.161 -18.660 4.270 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.486 -17.010 3.161 1.00 0.46 C ATOM 0 H ALA A 127 -5.982 -17.741 1.953 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.016 -15.580 3.684 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.040 -16.886 4.091 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -8.918 -16.369 2.393 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.544 -18.050 2.840 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.381 -0.169 -0.111 1.00 0.35 C HETATM 1966 C2 CHO A 200 4.999 -0.270 0.535 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.261 1.065 0.429 1.00 0.45 C HETATM 1968 O3 CHO A 200 2.990 0.955 1.074 1.00 0.51 O HETATM 1969 C4 CHO A 200 5.080 2.155 1.122 1.00 0.41 C HETATM 1970 C5 CHO A 200 6.465 2.257 0.477 1.00 0.37 C HETATM 1971 C6 CHO A 200 7.259 3.370 1.164 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.477 3.004 2.634 1.00 0.33 C HETATM 1973 O7 CHO A 200 6.215 2.906 3.301 1.00 0.37 O HETATM 1974 C8 CHO A 200 8.211 1.666 2.751 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.430 0.560 2.037 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.211 0.924 0.567 1.00 0.31 C HETATM 1977 C11 CHO A 200 8.155 -0.782 2.173 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.396 -1.149 3.641 1.00 0.23 C HETATM 1979 C13 CHO A 200 9.177 -0.020 4.321 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.365 1.270 4.221 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.245 2.198 5.058 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.529 1.330 6.289 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.244 -0.110 5.846 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.563 0.176 3.695 1.00 0.22 C HETATM 1985 C19 CHO A 200 8.565 1.048 -0.134 1.00 0.32 C HETATM 1986 C20 CHO A 200 10.302 -1.087 6.359 1.00 0.27 C HETATM 1987 C21 CHO A 200 10.090 -2.487 5.776 1.00 0.31 C HETATM 1988 C22 CHO A 200 10.261 -1.129 7.888 1.00 0.34 C HETATM 1989 C23 CHO A 200 11.293 -2.104 8.460 1.00 0.41 C HETATM 1990 C24 CHO A 200 11.210 -2.123 9.987 1.00 0.54 C HETATM 1991 O24 CHO A 200 10.905 -1.112 10.612 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.481 -3.298 10.553 1.00 0.47 N HETATM 1993 C26 CHO A 200 11.444 -3.488 12.010 1.00 0.58 C HETATM 1994 C27 CHO A 200 12.368 -2.479 12.694 1.00 1.20 C HETATM 1995 OT1 CHO A 200 11.901 -1.836 13.659 1.00 2.01 O HETATM 1996 OT2 CHO A 200 13.532 -2.379 12.248 1.00 1.99 O HETATM 0 H262 CHO A 200 10.424 -3.365 12.375 1.00 0.58 H new HETATM 0 H261 CHO A 200 11.752 -4.503 12.260 1.00 0.58 H new HETATM 0 H232 CHO A 200 11.116 -3.105 8.066 1.00 0.41 H new HETATM 0 H231 CHO A 200 12.295 -1.810 8.146 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.447 -0.130 8.284 1.00 0.34 H new HETATM 0 H221 CHO A 200 9.264 -1.422 8.217 1.00 0.34 H new HETATM 0 H213 CHO A 200 9.106 -2.856 6.065 1.00 0.31 H new HETATM 0 H212 CHO A 200 10.156 -2.442 4.689 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.857 -3.160 6.158 1.00 0.31 H new HETATM 0 H193 CHO A 200 9.096 0.098 -0.071 1.00 0.32 H new HETATM 0 H192 CHO A 200 8.410 1.308 -1.181 1.00 0.32 H new HETATM 0 H191 CHO A 200 9.155 1.827 0.350 1.00 0.32 H new HETATM 0 H183 CHO A 200 11.140 -0.744 3.793 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.454 0.425 2.640 1.00 0.22 H new HETATM 0 H181 CHO A 200 11.082 0.986 4.207 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.562 1.442 6.619 1.00 0.24 H new HETATM 0 H161 CHO A 200 8.893 1.616 7.127 1.00 0.24 H new HETATM 0 H152 CHO A 200 10.159 2.477 4.534 1.00 0.25 H new HETATM 0 H151 CHO A 200 8.732 3.123 5.319 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.445 -1.307 4.150 1.00 0.23 H new HETATM 0 H121 CHO A 200 8.952 -2.084 3.708 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.566 -1.564 1.694 1.00 0.25 H new HETATM 0 H111 CHO A 200 9.109 -0.735 1.648 1.00 0.25 H new HETATM 0 HOT CHO A 200 13.948 -1.565 12.600 1.00 1.99 H new HETATM 0 HO7 CHO A 200 5.683 3.708 3.114 1.00 0.37 H new HETATM 0 HO3 CHO A 200 2.515 1.810 1.009 1.00 0.51 H new HETATM 0 HN CHO A 200 11.722 -4.090 9.957 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.452 0.462 2.509 1.00 0.27 H new HETATM 0 H8 CHO A 200 9.192 1.784 2.290 1.00 0.25 H new HETATM 0 H7 CHO A 200 8.081 3.784 3.097 1.00 0.33 H new HETATM 0 H62 CHO A 200 8.219 3.508 0.666 1.00 0.37 H new HETATM 0 H61 CHO A 200 6.722 4.315 1.089 1.00 0.37 H new HETATM 0 H5 CHO A 200 6.349 2.496 -0.580 1.00 0.37 H new HETATM 0 H42 CHO A 200 4.564 3.112 1.048 1.00 0.41 H new HETATM 0 H41 CHO A 200 5.180 1.928 2.183 1.00 0.41 H new HETATM 0 H3 CHO A 200 4.122 1.321 -0.621 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.419 -1.053 0.047 1.00 0.40 H new HETATM 0 H21 CHO A 200 5.100 -0.554 1.582 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.283 -0.741 6.035 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.318 -0.509 6.260 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.335 1.248 4.577 1.00 0.23 H new HETATM 0 H12 CHO A 200 6.896 -1.126 -0.033 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.277 0.051 -1.173 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.222 4.425 0.247 1.00 0.22 C HETATM 2040 C2 CHO A 201 -4.910 3.317 -0.760 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.260 1.946 -0.176 1.00 0.29 C HETATM 2042 O3 CHO A 201 -4.921 0.930 -1.124 1.00 0.35 O HETATM 2043 C4 CHO A 201 -4.463 1.722 1.111 1.00 0.29 C HETATM 2044 C5 CHO A 201 -4.789 2.829 2.116 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.029 2.592 3.422 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.522 2.710 3.185 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.094 1.655 2.319 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.160 4.056 2.558 1.00 0.21 C HETATM 2049 C9 CHO A 201 -2.936 4.255 1.253 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.438 4.201 1.541 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.546 5.575 0.583 1.00 0.21 C HETATM 2052 C12 CHO A 201 -1.036 5.668 0.344 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.321 5.491 1.686 1.00 0.20 C HETATM 2054 C14 CHO A 201 -0.666 4.114 2.246 1.00 0.23 C HETATM 2055 C15 CHO A 201 0.253 4.104 3.465 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.582 4.476 2.800 1.00 0.27 C HETATM 2057 C17 CHO A 201 1.201 5.366 1.612 1.00 0.24 C HETATM 2058 C18 CHO A 201 -0.741 6.576 2.682 1.00 0.19 C HETATM 2059 C19 CHO A 201 -4.794 5.273 2.573 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.899 6.727 1.679 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.505 7.609 0.491 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.416 6.532 1.732 1.00 0.28 C HETATM 2063 C23 CHO A 201 4.157 7.865 1.858 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.651 7.623 2.089 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.489 8.460 1.754 1.00 0.67 O HETATM 2066 N25 CHO A 201 5.940 6.462 2.668 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.321 6.060 2.973 1.00 0.33 C HETATM 2068 C27 CHO A 201 7.659 6.468 4.408 1.00 0.50 C HETATM 2069 OT1 CHO A 201 7.214 5.745 5.326 1.00 1.23 O HETATM 2070 OT2 CHO A 201 8.349 7.498 4.558 1.00 1.08 O HETATM 0 H262 CHO A 201 7.434 4.983 2.853 1.00 0.33 H new HETATM 0 H261 CHO A 201 8.012 6.533 2.275 1.00 0.33 H new HETATM 0 H232 CHO A 201 4.013 8.456 0.953 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.743 8.442 2.685 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.671 5.893 2.578 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.748 6.016 0.831 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.791 7.117 -0.438 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.427 7.770 0.499 1.00 0.27 H new HETATM 0 H211 CHO A 201 2.016 8.569 0.565 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.548 6.257 2.175 1.00 0.22 H new HETATM 0 H192 CHO A 201 -5.861 5.227 2.792 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.228 5.099 3.488 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.488 7.557 2.279 1.00 0.19 H new HETATM 0 H182 CHO A 201 -1.816 6.519 2.850 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.218 6.425 3.626 1.00 0.19 H new HETATM 0 H162 CHO A 201 2.236 5.004 3.494 1.00 0.27 H new HETATM 0 H161 CHO A 201 2.120 3.587 2.470 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.051 4.827 4.222 1.00 0.26 H new HETATM 0 H151 CHO A 201 0.289 3.129 3.952 1.00 0.26 H new HETATM 0 H122 CHO A 201 -0.716 4.900 -0.360 1.00 0.22 H new HETATM 0 H121 CHO A 201 -0.781 6.631 -0.097 1.00 0.22 H new HETATM 0 H112 CHO A 201 -3.071 5.669 -0.368 1.00 0.21 H new HETATM 0 H111 CHO A 201 -2.867 6.408 1.208 1.00 0.21 H new HETATM 0 HOT CHO A 201 8.999 7.354 5.277 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -2.605 0.843 2.516 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -4.968 0.051 -0.693 1.00 0.35 H new HETATM 0 HN CHO A 201 5.178 5.828 2.909 1.00 0.31 H new HETATM 0 H9 CHO A 201 -2.683 3.453 0.560 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.418 4.841 3.269 1.00 0.21 H new HETATM 0 H7 CHO A 201 -2.019 2.636 4.149 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.345 3.318 4.172 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.266 1.604 3.815 1.00 0.28 H new HETATM 0 H5 CHO A 201 -5.860 2.807 2.320 1.00 0.25 H new HETATM 0 H42 CHO A 201 -4.706 0.748 1.536 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.395 1.718 0.893 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.327 1.904 0.044 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.474 3.482 -1.678 1.00 0.26 H new HETATM 0 H21 CHO A 201 -3.853 3.346 -1.026 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.577 7.237 2.587 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.520 4.939 0.661 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.514 3.247 1.603 1.00 0.23 H new HETATM 0 H12 CHO A 201 -4.966 5.395 -0.178 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.291 4.442 0.460 1.00 0.22 H new