USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 MET CE :methyl -160:sc= -0.475 (180deg=-1.22) USER MOD Set 1.2: B 137 TYR OH : rot 168:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 0.357 (180deg=0.17!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -99:sc= 1.24 USER MOD Single : A 16 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.88) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0.397 (180deg=0.0903) USER MOD Single : A 26 MET CE :methyl 179:sc= -0.0676 (180deg=-0.0695) USER MOD Single : A 28 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.076) USER MOD Single : A 35 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.28) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -109:sc= 0.00536 USER MOD Single : A 38 GLN : amide:sc= 0.217 K(o=0.22,f=-3.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 0.658 (180deg=-0.172) USER MOD Single : A 42 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.18) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.902) USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -112:sc= 0.034 (180deg=-0.0863) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot 180:sc= 0.365 USER MOD Single : B 116 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.2) USER MOD Single : B 117 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.1) USER MOD Single : B 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 126 MET CE :methyl 175:sc= 0 (180deg=-0.0191) USER MOD Single : B 128 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.027) USER MOD Single : B 135 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.37) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 GLN : amide:sc= -0.0266 K(o=-0.027,f=-0.57) USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 142 GLN : amide:sc= -3.52! C(o=-3.5!,f=-1.7!) USER MOD Single : B 151 LYS NZ :NH3+ 165:sc= 0.485 (180deg=-0.687) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.335 -7.228 10.390 1.00 0.00 N ATOM 2 CA GLY A 1 -12.644 -7.434 9.769 1.00 0.00 C ATOM 3 C GLY A 1 -13.659 -6.467 10.350 1.00 0.00 C ATOM 4 O GLY A 1 -13.460 -5.914 11.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.698 -6.763 9.712 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.441 -6.628 11.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.934 -8.147 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.570 -7.290 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.974 -8.460 9.932 1.00 0.00 H new ATOM 8 N SER A 2 -14.728 -6.230 9.592 1.00 0.00 N ATOM 9 CA SER A 2 -15.820 -5.333 9.945 1.00 0.00 C ATOM 10 C SER A 2 -17.143 -5.969 9.503 1.00 0.00 C ATOM 11 O SER A 2 -17.123 -7.052 8.910 1.00 0.00 O ATOM 12 CB SER A 2 -15.590 -3.976 9.278 1.00 0.00 C ATOM 13 OG SER A 2 -14.272 -3.493 9.507 1.00 0.00 O ATOM 0 H SER A 2 -14.860 -6.674 8.683 1.00 0.00 H new ATOM 0 HA SER A 2 -15.861 -5.173 11.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.764 -4.064 8.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.313 -3.256 9.660 1.00 0.00 H new ATOM 0 HG SER A 2 -14.160 -2.625 9.065 1.00 0.00 H new ATOM 19 N ASP A 3 -18.275 -5.314 9.774 1.00 0.00 N ATOM 20 CA ASP A 3 -19.619 -5.782 9.437 1.00 0.00 C ATOM 21 C ASP A 3 -20.291 -4.676 8.643 1.00 0.00 C ATOM 22 O ASP A 3 -20.638 -3.624 9.187 1.00 0.00 O ATOM 23 CB ASP A 3 -20.420 -6.135 10.695 1.00 0.00 C ATOM 24 CG ASP A 3 -19.814 -7.319 11.433 1.00 0.00 C ATOM 25 OD1 ASP A 3 -19.591 -8.380 10.806 1.00 0.00 O ATOM 26 OD2 ASP A 3 -19.463 -7.152 12.628 1.00 0.00 O ATOM 0 H ASP A 3 -18.279 -4.412 10.251 1.00 0.00 H new ATOM 0 HA ASP A 3 -19.567 -6.697 8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.455 -5.271 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.449 -6.366 10.419 1.00 0.00 H new ATOM 31 N TYR A 4 -20.409 -4.881 7.334 1.00 0.00 N ATOM 32 CA TYR A 4 -20.995 -3.926 6.402 1.00 0.00 C ATOM 33 C TYR A 4 -21.940 -4.600 5.400 1.00 0.00 C ATOM 34 O TYR A 4 -22.552 -3.893 4.616 1.00 0.00 O ATOM 35 CB TYR A 4 -19.864 -3.174 5.664 1.00 0.00 C ATOM 36 CG TYR A 4 -19.178 -2.034 6.408 1.00 0.00 C ATOM 37 CD1 TYR A 4 -18.389 -2.274 7.550 1.00 0.00 C ATOM 38 CD2 TYR A 4 -19.302 -0.715 5.927 1.00 0.00 C ATOM 39 CE1 TYR A 4 -17.749 -1.217 8.220 1.00 0.00 C ATOM 40 CE2 TYR A 4 -18.627 0.339 6.567 1.00 0.00 C ATOM 41 CZ TYR A 4 -17.848 0.094 7.716 1.00 0.00 C ATOM 42 OH TYR A 4 -17.145 1.096 8.311 1.00 0.00 O ATOM 0 H TYR A 4 -20.091 -5.738 6.882 1.00 0.00 H new ATOM 0 HA TYR A 4 -21.597 -3.219 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -19.102 -3.902 5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -20.275 -2.773 4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -18.274 -3.284 7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -19.918 -0.513 5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -17.183 -1.410 9.119 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -18.706 1.343 6.176 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.320 1.940 7.845 1.00 0.00 H new ATOM 52 N GLU A 5 -22.139 -5.919 5.408 1.00 0.00 N ATOM 53 CA GLU A 5 -23.032 -6.597 4.451 1.00 0.00 C ATOM 54 C GLU A 5 -24.456 -6.036 4.507 1.00 0.00 C ATOM 55 O GLU A 5 -25.144 -5.963 3.488 1.00 0.00 O ATOM 56 CB GLU A 5 -23.017 -8.111 4.698 1.00 0.00 C ATOM 57 CG GLU A 5 -21.595 -8.685 4.640 1.00 0.00 C ATOM 58 CD GLU A 5 -20.953 -8.775 6.026 1.00 0.00 C ATOM 59 OE1 GLU A 5 -20.316 -7.788 6.460 1.00 0.00 O ATOM 60 OE2 GLU A 5 -21.113 -9.826 6.696 1.00 0.00 O ATOM 0 H GLU A 5 -21.691 -6.550 6.072 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.659 -6.406 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -23.455 -8.324 5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -23.640 -8.607 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.623 -9.677 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.978 -8.059 3.995 1.00 0.00 H new ATOM 67 N PHE A 6 -24.888 -5.595 5.688 1.00 0.00 N ATOM 68 CA PHE A 6 -26.213 -5.008 5.885 1.00 0.00 C ATOM 69 C PHE A 6 -26.349 -3.642 5.188 1.00 0.00 C ATOM 70 O PHE A 6 -27.449 -3.093 5.143 1.00 0.00 O ATOM 71 CB PHE A 6 -26.552 -4.936 7.378 1.00 0.00 C ATOM 72 CG PHE A 6 -25.549 -4.181 8.229 1.00 0.00 C ATOM 73 CD1 PHE A 6 -25.606 -2.777 8.311 1.00 0.00 C ATOM 74 CD2 PHE A 6 -24.580 -4.887 8.968 1.00 0.00 C ATOM 75 CE1 PHE A 6 -24.719 -2.087 9.154 1.00 0.00 C ATOM 76 CE2 PHE A 6 -23.718 -4.197 9.837 1.00 0.00 C ATOM 77 CZ PHE A 6 -23.797 -2.799 9.942 1.00 0.00 C ATOM 0 H PHE A 6 -24.326 -5.635 6.539 1.00 0.00 H new ATOM 0 HA PHE A 6 -26.945 -5.662 5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -27.528 -4.465 7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -26.641 -5.951 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -26.331 -2.231 7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -24.499 -5.959 8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -24.745 -1.008 9.197 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -22.994 -4.742 10.425 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.150 -2.271 10.627 1.00 0.00 H new ATOM 87 N LEU A 7 -25.261 -3.073 4.641 1.00 0.00 N ATOM 88 CA LEU A 7 -25.280 -1.791 3.934 1.00 0.00 C ATOM 89 C LEU A 7 -26.183 -1.880 2.701 1.00 0.00 C ATOM 90 O LEU A 7 -26.586 -0.851 2.175 1.00 0.00 O ATOM 91 CB LEU A 7 -23.859 -1.287 3.600 1.00 0.00 C ATOM 92 CG LEU A 7 -23.204 -1.713 2.258 1.00 0.00 C ATOM 93 CD1 LEU A 7 -23.436 -0.663 1.165 1.00 0.00 C ATOM 94 CD2 LEU A 7 -21.671 -1.800 2.359 1.00 0.00 C ATOM 0 H LEU A 7 -24.335 -3.499 4.681 1.00 0.00 H new ATOM 0 HA LEU A 7 -25.704 -1.040 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -23.883 -0.198 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -23.198 -1.609 4.405 1.00 0.00 H new ATOM 0 HG LEU A 7 -23.656 -2.677 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.965 -0.992 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -24.506 -0.537 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -23.002 0.287 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.259 -2.101 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -21.269 -0.826 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -21.397 -2.535 3.116 1.00 0.00 H new ATOM 106 N LYS A 8 -26.536 -3.089 2.256 1.00 0.00 N ATOM 107 CA LYS A 8 -27.411 -3.367 1.129 1.00 0.00 C ATOM 108 C LYS A 8 -28.756 -2.628 1.259 1.00 0.00 C ATOM 109 O LYS A 8 -29.383 -2.326 0.248 1.00 0.00 O ATOM 110 CB LYS A 8 -27.649 -4.891 1.140 1.00 0.00 C ATOM 111 CG LYS A 8 -28.317 -5.440 -0.128 1.00 0.00 C ATOM 112 CD LYS A 8 -27.320 -6.020 -1.142 1.00 0.00 C ATOM 113 CE LYS A 8 -27.285 -7.557 -1.090 1.00 0.00 C ATOM 114 NZ LYS A 8 -26.805 -8.110 -2.370 1.00 0.00 N ATOM 0 H LYS A 8 -26.197 -3.942 2.701 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.955 -3.027 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.692 -5.394 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -28.269 -5.143 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.030 -6.215 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -28.885 -4.641 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.592 -5.696 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -26.324 -5.626 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.633 -7.884 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.282 -7.941 -0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -27.039 -9.122 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.263 -7.609 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -25.774 -7.989 -2.435 1.00 0.00 H new ATOM 128 N SER A 9 -29.174 -2.326 2.489 1.00 0.00 N ATOM 129 CA SER A 9 -30.425 -1.667 2.833 1.00 0.00 C ATOM 130 C SER A 9 -30.302 -0.150 3.015 1.00 0.00 C ATOM 131 O SER A 9 -31.294 0.497 3.348 1.00 0.00 O ATOM 132 CB SER A 9 -30.928 -2.306 4.135 1.00 0.00 C ATOM 133 OG SER A 9 -30.946 -3.720 4.038 1.00 0.00 O ATOM 0 H SER A 9 -28.615 -2.548 3.313 1.00 0.00 H new ATOM 0 HA SER A 9 -31.120 -1.804 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 9 -30.287 -2.004 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.931 -1.941 4.359 1.00 0.00 H new ATOM 0 HG SER A 9 -31.269 -4.102 4.881 1.00 0.00 H new ATOM 139 N TRP A 10 -29.106 0.430 2.902 1.00 0.00 N ATOM 140 CA TRP A 10 -28.903 1.869 3.060 1.00 0.00 C ATOM 141 C TRP A 10 -29.293 2.567 1.755 1.00 0.00 C ATOM 142 O TRP A 10 -29.446 1.923 0.719 1.00 0.00 O ATOM 143 CB TRP A 10 -27.426 2.134 3.385 1.00 0.00 C ATOM 144 CG TRP A 10 -26.966 2.012 4.814 1.00 0.00 C ATOM 145 CD1 TRP A 10 -25.860 2.630 5.279 1.00 0.00 C ATOM 146 CD2 TRP A 10 -27.520 1.292 5.970 1.00 0.00 C ATOM 147 NE1 TRP A 10 -25.654 2.328 6.606 1.00 0.00 N ATOM 148 CE2 TRP A 10 -26.640 1.492 7.079 1.00 0.00 C ATOM 149 CE3 TRP A 10 -28.672 0.511 6.227 1.00 0.00 C ATOM 150 CZ2 TRP A 10 -26.863 0.915 8.336 1.00 0.00 C ATOM 151 CZ3 TRP A 10 -28.912 -0.063 7.490 1.00 0.00 C ATOM 152 CH2 TRP A 10 -28.006 0.130 8.545 1.00 0.00 C ATOM 0 H TRP A 10 -28.250 -0.086 2.698 1.00 0.00 H new ATOM 0 HA TRP A 10 -29.519 2.255 3.872 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -26.828 1.448 2.786 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -27.189 3.143 3.047 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -25.223 3.274 4.690 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -24.875 2.677 7.164 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -29.386 0.351 5.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -26.159 1.074 9.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -29.800 -0.657 7.649 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -28.188 -0.322 9.509 1.00 0.00 H new ATOM 163 N THR A 11 -29.461 3.894 1.775 1.00 0.00 N ATOM 164 CA THR A 11 -29.809 4.590 0.543 1.00 0.00 C ATOM 165 C THR A 11 -28.602 4.585 -0.384 1.00 0.00 C ATOM 166 O THR A 11 -27.454 4.447 0.055 1.00 0.00 O ATOM 167 CB THR A 11 -30.238 6.047 0.788 1.00 0.00 C ATOM 168 OG1 THR A 11 -29.182 6.839 1.290 1.00 0.00 O ATOM 169 CG2 THR A 11 -31.462 6.161 1.685 1.00 0.00 C ATOM 0 H THR A 11 -29.365 4.485 2.601 1.00 0.00 H new ATOM 0 HA THR A 11 -30.655 4.066 0.098 1.00 0.00 H new ATOM 0 HB THR A 11 -30.515 6.435 -0.192 1.00 0.00 H new ATOM 0 HG1 THR A 11 -29.273 6.928 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 11 -31.717 7.212 1.821 1.00 0.00 H new ATOM 0 HG22 THR A 11 -32.301 5.641 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 11 -31.246 5.711 2.654 1.00 0.00 H new ATOM 177 N VAL A 12 -28.866 4.805 -1.669 1.00 0.00 N ATOM 178 CA VAL A 12 -27.803 4.864 -2.655 1.00 0.00 C ATOM 179 C VAL A 12 -26.869 6.029 -2.315 1.00 0.00 C ATOM 180 O VAL A 12 -25.665 5.903 -2.488 1.00 0.00 O ATOM 181 CB VAL A 12 -28.376 4.932 -4.084 1.00 0.00 C ATOM 182 CG1 VAL A 12 -29.343 6.103 -4.328 1.00 0.00 C ATOM 183 CG2 VAL A 12 -27.250 4.977 -5.128 1.00 0.00 C ATOM 0 H VAL A 12 -29.804 4.944 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 12 -27.211 3.949 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 12 -28.959 4.018 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -29.697 6.074 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -30.192 6.021 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -28.826 7.046 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -27.682 5.025 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -26.631 5.858 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -26.637 4.080 -5.040 1.00 0.00 H new ATOM 193 N GLU A 13 -27.378 7.144 -1.788 1.00 0.00 N ATOM 194 CA GLU A 13 -26.536 8.288 -1.464 1.00 0.00 C ATOM 195 C GLU A 13 -25.664 8.023 -0.249 1.00 0.00 C ATOM 196 O GLU A 13 -24.493 8.398 -0.238 1.00 0.00 O ATOM 197 CB GLU A 13 -27.395 9.524 -1.222 1.00 0.00 C ATOM 198 CG GLU A 13 -27.968 10.023 -2.551 1.00 0.00 C ATOM 199 CD GLU A 13 -28.783 11.306 -2.420 1.00 0.00 C ATOM 200 OE1 GLU A 13 -28.579 12.047 -1.430 1.00 0.00 O ATOM 201 OE2 GLU A 13 -29.562 11.573 -3.356 1.00 0.00 O ATOM 0 H GLU A 13 -28.368 7.275 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 13 -25.879 8.460 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -28.205 9.286 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -26.798 10.308 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -27.149 10.192 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -28.598 9.244 -2.981 1.00 0.00 H new ATOM 208 N ASP A 14 -26.205 7.375 0.776 1.00 0.00 N ATOM 209 CA ASP A 14 -25.449 7.087 1.986 1.00 0.00 C ATOM 210 C ASP A 14 -24.398 6.031 1.689 1.00 0.00 C ATOM 211 O ASP A 14 -23.283 6.098 2.213 1.00 0.00 O ATOM 212 CB ASP A 14 -26.377 6.571 3.096 1.00 0.00 C ATOM 213 CG ASP A 14 -27.383 7.604 3.597 1.00 0.00 C ATOM 214 OD1 ASP A 14 -27.052 8.807 3.684 1.00 0.00 O ATOM 215 OD2 ASP A 14 -28.531 7.174 3.883 1.00 0.00 O ATOM 0 H ASP A 14 -27.168 7.039 0.792 1.00 0.00 H new ATOM 0 HA ASP A 14 -24.972 8.008 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -26.919 5.701 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -25.769 6.234 3.936 1.00 0.00 H new ATOM 220 N LEU A 15 -24.740 5.040 0.859 1.00 0.00 N ATOM 221 CA LEU A 15 -23.808 3.982 0.515 1.00 0.00 C ATOM 222 C LEU A 15 -22.737 4.503 -0.435 1.00 0.00 C ATOM 223 O LEU A 15 -21.562 4.235 -0.183 1.00 0.00 O ATOM 224 CB LEU A 15 -24.533 2.724 -0.020 1.00 0.00 C ATOM 225 CG LEU A 15 -24.700 2.604 -1.552 1.00 0.00 C ATOM 226 CD1 LEU A 15 -23.402 2.188 -2.273 1.00 0.00 C ATOM 227 CD2 LEU A 15 -25.807 1.615 -1.897 1.00 0.00 C ATOM 0 H LEU A 15 -25.656 4.956 0.418 1.00 0.00 H new ATOM 0 HA LEU A 15 -23.301 3.661 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -23.990 1.846 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -25.524 2.687 0.432 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.965 3.601 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -23.587 2.122 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -22.627 2.930 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -23.074 1.218 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -25.908 1.545 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -25.558 0.634 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -26.748 1.957 -1.466 1.00 0.00 H new ATOM 239 N GLN A 16 -23.090 5.299 -1.454 1.00 0.00 N ATOM 240 CA GLN A 16 -22.182 5.833 -2.472 1.00 0.00 C ATOM 241 C GLN A 16 -21.001 6.566 -1.859 1.00 0.00 C ATOM 242 O GLN A 16 -19.880 6.402 -2.335 1.00 0.00 O ATOM 243 CB GLN A 16 -22.942 6.712 -3.471 1.00 0.00 C ATOM 244 CG GLN A 16 -22.092 7.165 -4.659 1.00 0.00 C ATOM 245 CD GLN A 16 -21.727 6.009 -5.588 1.00 0.00 C ATOM 246 OE1 GLN A 16 -20.853 5.198 -5.288 1.00 0.00 O ATOM 247 NE2 GLN A 16 -22.420 5.886 -6.703 1.00 0.00 N ATOM 0 H GLN A 16 -24.055 5.599 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.768 4.986 -3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -23.806 6.161 -3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -23.323 7.591 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -22.635 7.923 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.179 7.634 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.141 6.570 -6.933 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.235 5.107 -7.335 1.00 0.00 H new ATOM 256 N LYS A 17 -21.219 7.288 -0.757 1.00 0.00 N ATOM 257 CA LYS A 17 -20.157 8.034 -0.097 1.00 0.00 C ATOM 258 C LYS A 17 -18.971 7.134 0.281 1.00 0.00 C ATOM 259 O LYS A 17 -17.842 7.622 0.248 1.00 0.00 O ATOM 260 CB LYS A 17 -20.777 8.841 1.059 1.00 0.00 C ATOM 261 CG LYS A 17 -21.233 10.262 0.655 1.00 0.00 C ATOM 262 CD LYS A 17 -21.952 10.355 -0.709 1.00 0.00 C ATOM 263 CE LYS A 17 -22.963 11.496 -0.856 1.00 0.00 C ATOM 264 NZ LYS A 17 -24.091 11.394 0.094 1.00 0.00 N ATOM 0 H LYS A 17 -22.130 7.369 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.705 8.755 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -21.633 8.293 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -20.049 8.919 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -21.900 10.646 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.360 10.915 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -21.198 10.461 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -22.468 9.412 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -22.453 12.448 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -23.352 11.501 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -24.878 11.988 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -24.406 10.405 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -23.784 11.717 1.034 1.00 0.00 H new ATOM 278 N ARG A 18 -19.178 5.839 0.571 1.00 0.00 N ATOM 279 CA ARG A 18 -18.072 4.954 0.906 1.00 0.00 C ATOM 280 C ARG A 18 -17.162 4.691 -0.276 1.00 0.00 C ATOM 281 O ARG A 18 -15.964 4.833 -0.098 1.00 0.00 O ATOM 282 CB ARG A 18 -18.550 3.584 1.366 1.00 0.00 C ATOM 283 CG ARG A 18 -19.134 3.624 2.763 1.00 0.00 C ATOM 284 CD ARG A 18 -19.407 2.185 3.204 1.00 0.00 C ATOM 285 NE ARG A 18 -20.830 1.840 3.122 1.00 0.00 N ATOM 286 CZ ARG A 18 -21.762 2.291 3.967 1.00 0.00 C ATOM 287 NH1 ARG A 18 -21.434 2.980 5.055 1.00 0.00 N ATOM 288 NH2 ARG A 18 -23.041 2.081 3.696 1.00 0.00 N ATOM 0 H ARG A 18 -20.095 5.393 0.578 1.00 0.00 H new ATOM 0 HA ARG A 18 -17.541 5.477 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.301 3.210 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -17.716 2.883 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -18.442 4.108 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -20.055 4.207 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -18.833 1.501 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -19.061 2.049 4.228 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.127 1.216 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -20.454 3.174 5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -22.162 3.314 5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -23.307 1.579 2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -23.760 2.421 4.334 1.00 0.00 H new ATOM 302 N LEU A 19 -17.685 4.297 -1.440 1.00 0.00 N ATOM 303 CA LEU A 19 -16.907 3.980 -2.643 1.00 0.00 C ATOM 304 C LEU A 19 -15.977 5.133 -2.961 1.00 0.00 C ATOM 305 O LEU A 19 -14.773 4.946 -3.080 1.00 0.00 O ATOM 306 CB LEU A 19 -17.825 3.675 -3.847 1.00 0.00 C ATOM 307 CG LEU A 19 -17.171 3.399 -5.217 1.00 0.00 C ATOM 308 CD1 LEU A 19 -16.650 4.634 -5.949 1.00 0.00 C ATOM 309 CD2 LEU A 19 -16.099 2.308 -5.106 1.00 0.00 C ATOM 0 H LEU A 19 -18.690 4.186 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.319 3.083 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.434 2.808 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.505 4.518 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.981 3.036 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.209 4.334 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -17.474 5.323 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.894 5.127 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.655 2.134 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.325 2.628 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.554 1.386 -4.745 1.00 0.00 H new ATOM 321 N LEU A 20 -16.543 6.338 -3.018 1.00 0.00 N ATOM 322 CA LEU A 20 -15.798 7.544 -3.305 1.00 0.00 C ATOM 323 C LEU A 20 -14.663 7.738 -2.297 1.00 0.00 C ATOM 324 O LEU A 20 -13.563 8.133 -2.677 1.00 0.00 O ATOM 325 CB LEU A 20 -16.787 8.713 -3.308 1.00 0.00 C ATOM 326 CG LEU A 20 -16.072 10.063 -3.220 1.00 0.00 C ATOM 327 CD1 LEU A 20 -15.172 10.348 -4.428 1.00 0.00 C ATOM 328 CD2 LEU A 20 -17.109 11.177 -3.089 1.00 0.00 C ATOM 0 H LEU A 20 -17.539 6.496 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.319 7.480 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.388 8.678 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.474 8.610 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.426 10.025 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.694 11.320 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.408 9.575 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.774 10.352 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.602 12.140 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.765 11.168 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.701 11.019 -2.188 1.00 0.00 H new ATOM 340 N ALA A 21 -14.926 7.528 -1.005 1.00 0.00 N ATOM 341 CA ALA A 21 -13.902 7.677 0.022 1.00 0.00 C ATOM 342 C ALA A 21 -12.898 6.522 -0.035 1.00 0.00 C ATOM 343 O ALA A 21 -11.760 6.670 0.394 1.00 0.00 O ATOM 344 CB ALA A 21 -14.566 7.732 1.404 1.00 0.00 C ATOM 0 H ALA A 21 -15.842 7.254 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.360 8.605 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.800 7.843 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.248 8.581 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.122 6.811 1.577 1.00 0.00 H new ATOM 350 N LEU A 22 -13.312 5.375 -0.567 1.00 0.00 N ATOM 351 CA LEU A 22 -12.515 4.149 -0.683 1.00 0.00 C ATOM 352 C LEU A 22 -11.315 4.347 -1.602 1.00 0.00 C ATOM 353 O LEU A 22 -10.275 3.724 -1.388 1.00 0.00 O ATOM 354 CB LEU A 22 -13.374 2.958 -1.174 1.00 0.00 C ATOM 355 CG LEU A 22 -13.329 1.684 -0.314 1.00 0.00 C ATOM 356 CD1 LEU A 22 -11.912 1.155 -0.110 1.00 0.00 C ATOM 357 CD2 LEU A 22 -14.010 1.886 1.045 1.00 0.00 C ATOM 0 H LEU A 22 -14.252 5.266 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.146 3.916 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.410 3.289 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.056 2.700 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.885 0.934 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.944 0.255 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.469 0.918 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.309 1.913 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.955 0.962 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.505 2.683 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.055 2.157 0.892 1.00 0.00 H new ATOM 369 N ASP A 23 -11.472 5.189 -2.626 1.00 0.00 N ATOM 370 CA ASP A 23 -10.418 5.494 -3.587 1.00 0.00 C ATOM 371 C ASP A 23 -9.230 6.166 -2.881 1.00 0.00 C ATOM 372 O ASP A 23 -8.166 5.543 -2.842 1.00 0.00 O ATOM 373 CB ASP A 23 -10.968 6.295 -4.786 1.00 0.00 C ATOM 374 CG ASP A 23 -11.386 5.368 -5.932 1.00 0.00 C ATOM 375 OD1 ASP A 23 -10.545 4.559 -6.387 1.00 0.00 O ATOM 376 OD2 ASP A 23 -12.567 5.390 -6.352 1.00 0.00 O ATOM 0 H ASP A 23 -12.346 5.682 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.038 4.565 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.824 6.890 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.208 6.993 -5.139 1.00 0.00 H new ATOM 381 N PRO A 24 -9.365 7.357 -2.257 1.00 0.00 N ATOM 382 CA PRO A 24 -8.252 8.002 -1.572 1.00 0.00 C ATOM 383 C PRO A 24 -7.830 7.245 -0.308 1.00 0.00 C ATOM 384 O PRO A 24 -6.685 7.408 0.106 1.00 0.00 O ATOM 385 CB PRO A 24 -8.704 9.427 -1.247 1.00 0.00 C ATOM 386 CG PRO A 24 -10.206 9.247 -1.090 1.00 0.00 C ATOM 387 CD PRO A 24 -10.525 8.226 -2.186 1.00 0.00 C ATOM 0 HA PRO A 24 -7.369 8.008 -2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.240 9.806 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.457 10.127 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.471 8.877 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.746 10.183 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.425 7.660 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.705 8.719 -3.141 1.00 0.00 H new ATOM 395 N MET A 25 -8.727 6.446 0.299 1.00 0.00 N ATOM 396 CA MET A 25 -8.407 5.674 1.496 1.00 0.00 C ATOM 397 C MET A 25 -7.194 4.798 1.199 1.00 0.00 C ATOM 398 O MET A 25 -6.211 4.852 1.930 1.00 0.00 O ATOM 399 CB MET A 25 -9.572 4.779 1.936 1.00 0.00 C ATOM 400 CG MET A 25 -10.660 5.464 2.768 1.00 0.00 C ATOM 401 SD MET A 25 -10.591 5.392 4.569 1.00 0.00 S ATOM 402 CE MET A 25 -10.235 3.654 4.898 1.00 0.00 C ATOM 0 H MET A 25 -9.685 6.323 -0.030 1.00 0.00 H new ATOM 0 HA MET A 25 -8.203 6.374 2.306 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.035 4.354 1.046 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.169 3.947 2.514 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.671 6.517 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.617 5.042 2.462 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.514 3.413 5.924 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.805 3.029 4.210 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.170 3.468 4.759 1.00 0.00 H new ATOM 412 N MET A 26 -7.271 3.963 0.151 1.00 0.00 N ATOM 413 CA MET A 26 -6.158 3.094 -0.202 1.00 0.00 C ATOM 414 C MET A 26 -5.040 3.888 -0.860 1.00 0.00 C ATOM 415 O MET A 26 -3.876 3.557 -0.642 1.00 0.00 O ATOM 416 CB MET A 26 -6.613 1.899 -1.057 1.00 0.00 C ATOM 417 CG MET A 26 -6.606 2.146 -2.571 1.00 0.00 C ATOM 418 SD MET A 26 -7.383 0.811 -3.513 1.00 0.00 S ATOM 419 CE MET A 26 -9.094 1.347 -3.300 1.00 0.00 C ATOM 0 H MET A 26 -8.087 3.878 -0.456 1.00 0.00 H new ATOM 0 HA MET A 26 -5.756 2.672 0.719 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.967 1.049 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.622 1.618 -0.754 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.124 3.081 -2.783 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.577 2.269 -2.908 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.758 0.662 -3.827 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.344 1.352 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.214 2.352 -3.705 1.00 0.00 H new ATOM 429 N GLU A 27 -5.373 4.916 -1.652 1.00 0.00 N ATOM 430 CA GLU A 27 -4.370 5.725 -2.329 1.00 0.00 C ATOM 431 C GLU A 27 -3.385 6.284 -1.313 1.00 0.00 C ATOM 432 O GLU A 27 -2.186 6.127 -1.510 1.00 0.00 O ATOM 433 CB GLU A 27 -5.027 6.834 -3.149 1.00 0.00 C ATOM 434 CG GLU A 27 -4.011 7.548 -4.047 1.00 0.00 C ATOM 435 CD GLU A 27 -4.623 8.642 -4.924 1.00 0.00 C ATOM 436 OE1 GLU A 27 -5.866 8.695 -5.079 1.00 0.00 O ATOM 437 OE2 GLU A 27 -3.844 9.446 -5.477 1.00 0.00 O ATOM 0 H GLU A 27 -6.335 5.202 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.818 5.096 -3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.822 6.411 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.492 7.557 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.234 7.989 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.525 6.812 -4.687 1.00 0.00 H new ATOM 444 N GLN A 28 -3.886 6.872 -0.224 1.00 0.00 N ATOM 445 CA GLN A 28 -3.086 7.454 0.834 1.00 0.00 C ATOM 446 C GLN A 28 -2.182 6.416 1.502 1.00 0.00 C ATOM 447 O GLN A 28 -1.014 6.699 1.767 1.00 0.00 O ATOM 448 CB GLN A 28 -4.012 8.128 1.855 1.00 0.00 C ATOM 449 CG GLN A 28 -3.272 8.702 3.074 1.00 0.00 C ATOM 450 CD GLN A 28 -2.107 9.611 2.691 1.00 0.00 C ATOM 451 OE1 GLN A 28 -2.296 10.650 2.065 1.00 0.00 O ATOM 452 NE2 GLN A 28 -0.889 9.258 3.073 1.00 0.00 N ATOM 0 H GLN A 28 -4.889 6.954 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.425 8.204 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.559 8.931 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.750 7.403 2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.976 9.263 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.899 7.880 3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.749 8.392 3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.091 9.853 2.848 1.00 0.00 H new ATOM 461 N GLU A 29 -2.703 5.232 1.821 1.00 0.00 N ATOM 462 CA GLU A 29 -1.900 4.213 2.474 1.00 0.00 C ATOM 463 C GLU A 29 -0.801 3.721 1.536 1.00 0.00 C ATOM 464 O GLU A 29 0.346 3.592 1.968 1.00 0.00 O ATOM 465 CB GLU A 29 -2.780 3.079 3.012 1.00 0.00 C ATOM 466 CG GLU A 29 -3.773 3.599 4.067 1.00 0.00 C ATOM 467 CD GLU A 29 -3.879 2.663 5.264 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.023 2.760 6.173 1.00 0.00 O ATOM 469 OE2 GLU A 29 -4.805 1.815 5.281 1.00 0.00 O ATOM 0 H GLU A 29 -3.669 4.961 1.638 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.405 4.651 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.327 2.618 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.152 2.304 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.458 4.586 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.756 3.717 3.612 1.00 0.00 H new ATOM 476 N ILE A 30 -1.126 3.463 0.264 1.00 0.00 N ATOM 477 CA ILE A 30 -0.154 2.999 -0.704 1.00 0.00 C ATOM 478 C ILE A 30 0.866 4.101 -0.965 1.00 0.00 C ATOM 479 O ILE A 30 2.047 3.795 -0.879 1.00 0.00 O ATOM 480 CB ILE A 30 -0.829 2.479 -2.003 1.00 0.00 C ATOM 481 CG1 ILE A 30 -1.342 1.022 -1.831 1.00 0.00 C ATOM 482 CG2 ILE A 30 0.161 2.511 -3.193 1.00 0.00 C ATOM 483 CD1 ILE A 30 -2.857 0.830 -1.882 1.00 0.00 C ATOM 0 H ILE A 30 -2.068 3.573 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 30 0.375 2.139 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.673 3.139 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.892 0.406 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.980 0.642 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.336 2.142 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.497 3.534 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.020 1.879 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.095 -0.226 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.324 1.409 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.235 1.169 -2.847 1.00 0.00 H new ATOM 495 N GLU A 31 0.471 5.333 -1.310 1.00 0.00 N ATOM 496 CA GLU A 31 1.417 6.409 -1.604 1.00 0.00 C ATOM 497 C GLU A 31 2.384 6.631 -0.457 1.00 0.00 C ATOM 498 O GLU A 31 3.565 6.877 -0.710 1.00 0.00 O ATOM 499 CB GLU A 31 0.748 7.714 -2.073 1.00 0.00 C ATOM 500 CG GLU A 31 0.164 8.605 -0.972 1.00 0.00 C ATOM 501 CD GLU A 31 -0.390 9.906 -1.558 1.00 0.00 C ATOM 502 OE1 GLU A 31 -1.291 9.856 -2.424 1.00 0.00 O ATOM 503 OE2 GLU A 31 0.131 10.997 -1.221 1.00 0.00 O ATOM 0 H GLU A 31 -0.508 5.608 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 31 1.999 6.070 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.482 8.295 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.052 7.459 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.629 8.071 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.935 8.832 -0.236 1.00 0.00 H new ATOM 510 N GLU A 32 1.911 6.516 0.788 1.00 0.00 N ATOM 511 CA GLU A 32 2.790 6.688 1.920 1.00 0.00 C ATOM 512 C GLU A 32 3.836 5.579 1.831 1.00 0.00 C ATOM 513 O GLU A 32 5.017 5.890 1.929 1.00 0.00 O ATOM 514 CB GLU A 32 2.034 6.698 3.249 1.00 0.00 C ATOM 515 CG GLU A 32 3.013 7.016 4.388 1.00 0.00 C ATOM 516 CD GLU A 32 2.352 6.847 5.747 1.00 0.00 C ATOM 517 OE1 GLU A 32 1.733 7.809 6.240 1.00 0.00 O ATOM 518 OE2 GLU A 32 2.483 5.740 6.322 1.00 0.00 O ATOM 0 H GLU A 32 0.940 6.308 1.023 1.00 0.00 H new ATOM 0 HA GLU A 32 3.276 7.663 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.237 7.441 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.562 5.730 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.880 6.360 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.377 8.038 4.283 1.00 0.00 H new ATOM 525 N ILE A 33 3.449 4.315 1.606 1.00 0.00 N ATOM 526 CA ILE A 33 4.408 3.213 1.486 1.00 0.00 C ATOM 527 C ILE A 33 5.341 3.467 0.312 1.00 0.00 C ATOM 528 O ILE A 33 6.546 3.270 0.444 1.00 0.00 O ATOM 529 CB ILE A 33 3.721 1.837 1.373 1.00 0.00 C ATOM 530 CG1 ILE A 33 2.935 1.535 2.667 1.00 0.00 C ATOM 531 CG2 ILE A 33 4.770 0.717 1.185 1.00 0.00 C ATOM 532 CD1 ILE A 33 1.916 0.418 2.471 1.00 0.00 C ATOM 0 H ILE A 33 2.474 4.032 1.504 1.00 0.00 H new ATOM 0 HA ILE A 33 4.993 3.181 2.405 1.00 0.00 H new ATOM 0 HB ILE A 33 3.052 1.867 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.632 1.255 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.423 2.438 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.265 -0.246 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.340 0.902 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.446 0.704 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.387 0.240 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.202 0.708 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.430 -0.494 2.165 1.00 0.00 H new ATOM 544 N ARG A 34 4.823 3.908 -0.835 1.00 0.00 N ATOM 545 CA ARG A 34 5.651 4.173 -2.005 1.00 0.00 C ATOM 546 C ARG A 34 6.732 5.158 -1.627 1.00 0.00 C ATOM 547 O ARG A 34 7.882 4.987 -2.017 1.00 0.00 O ATOM 548 CB ARG A 34 4.833 4.661 -3.209 1.00 0.00 C ATOM 549 CG ARG A 34 3.780 3.636 -3.655 1.00 0.00 C ATOM 550 CD ARG A 34 3.316 3.865 -5.093 1.00 0.00 C ATOM 551 NE ARG A 34 4.262 3.327 -6.087 1.00 0.00 N ATOM 552 CZ ARG A 34 3.921 2.972 -7.332 1.00 0.00 C ATOM 553 NH1 ARG A 34 2.742 3.348 -7.824 1.00 0.00 N ATOM 554 NH2 ARG A 34 4.746 2.241 -8.076 1.00 0.00 N ATOM 0 H ARG A 34 3.829 4.089 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 34 6.109 3.237 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.338 5.598 -2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.506 4.872 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.194 2.632 -3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.921 3.688 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.341 3.398 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.185 4.934 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 34 5.237 3.218 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.105 3.903 -7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.476 3.081 -8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.647 1.946 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.478 1.975 -9.024 1.00 0.00 H new ATOM 568 N GLN A 35 6.390 6.202 -0.883 1.00 0.00 N ATOM 569 CA GLN A 35 7.386 7.182 -0.473 1.00 0.00 C ATOM 570 C GLN A 35 8.303 6.616 0.622 1.00 0.00 C ATOM 571 O GLN A 35 9.521 6.603 0.459 1.00 0.00 O ATOM 572 CB GLN A 35 6.707 8.481 -0.042 1.00 0.00 C ATOM 573 CG GLN A 35 6.102 9.166 -1.275 1.00 0.00 C ATOM 574 CD GLN A 35 7.143 9.622 -2.304 1.00 0.00 C ATOM 575 OE1 GLN A 35 8.109 10.314 -1.997 1.00 0.00 O ATOM 576 NE2 GLN A 35 7.049 9.187 -3.550 1.00 0.00 N ATOM 0 H GLN A 35 5.443 6.391 -0.555 1.00 0.00 H new ATOM 0 HA GLN A 35 8.023 7.411 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.929 8.273 0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.429 9.141 0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.407 8.478 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.523 10.030 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.256 8.610 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.770 9.428 -4.230 1.00 0.00 H new ATOM 585 N LYS A 36 7.747 6.082 1.707 1.00 0.00 N ATOM 586 CA LYS A 36 8.458 5.512 2.859 1.00 0.00 C ATOM 587 C LYS A 36 9.466 4.435 2.441 1.00 0.00 C ATOM 588 O LYS A 36 10.598 4.407 2.938 1.00 0.00 O ATOM 589 CB LYS A 36 7.430 5.122 3.958 1.00 0.00 C ATOM 590 CG LYS A 36 7.124 3.627 4.209 1.00 0.00 C ATOM 591 CD LYS A 36 5.823 3.366 5.007 1.00 0.00 C ATOM 592 CE LYS A 36 5.551 4.299 6.191 1.00 0.00 C ATOM 593 NZ LYS A 36 6.346 3.994 7.397 1.00 0.00 N ATOM 0 H LYS A 36 6.734 6.030 1.816 1.00 0.00 H new ATOM 0 HA LYS A 36 9.103 6.259 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.778 5.548 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.488 5.613 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.055 3.116 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.961 3.183 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.981 3.433 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.850 2.342 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.755 5.325 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.492 4.247 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.105 4.668 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.135 3.027 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.359 4.072 7.174 1.00 0.00 H new ATOM 607 N TYR A 37 9.065 3.508 1.572 1.00 0.00 N ATOM 608 CA TYR A 37 9.920 2.444 1.064 1.00 0.00 C ATOM 609 C TYR A 37 10.902 3.003 0.029 1.00 0.00 C ATOM 610 O TYR A 37 12.094 2.728 0.156 1.00 0.00 O ATOM 611 CB TYR A 37 9.095 1.233 0.599 1.00 0.00 C ATOM 612 CG TYR A 37 8.513 0.334 1.693 1.00 0.00 C ATOM 613 CD1 TYR A 37 8.669 0.623 3.066 1.00 0.00 C ATOM 614 CD2 TYR A 37 7.827 -0.840 1.325 1.00 0.00 C ATOM 615 CE1 TYR A 37 8.206 -0.266 4.049 1.00 0.00 C ATOM 616 CE2 TYR A 37 7.328 -1.718 2.306 1.00 0.00 C ATOM 617 CZ TYR A 37 7.548 -1.453 3.676 1.00 0.00 C ATOM 618 OH TYR A 37 7.188 -2.344 4.642 1.00 0.00 O ATOM 0 H TYR A 37 8.117 3.478 1.196 1.00 0.00 H new ATOM 0 HA TYR A 37 10.539 2.050 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.271 1.598 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.725 0.620 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.152 1.542 3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.682 -1.069 0.280 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.355 -0.038 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.775 -2.597 2.010 1.00 0.00 H new ATOM 0 HH TYR A 37 7.754 -3.141 4.579 1.00 0.00 H new ATOM 628 N GLN A 38 10.494 3.842 -0.937 1.00 0.00 N ATOM 629 CA GLN A 38 11.432 4.405 -1.921 1.00 0.00 C ATOM 630 C GLN A 38 12.520 5.193 -1.190 1.00 0.00 C ATOM 631 O GLN A 38 13.680 5.085 -1.570 1.00 0.00 O ATOM 632 CB GLN A 38 10.720 5.278 -2.965 1.00 0.00 C ATOM 633 CG GLN A 38 11.628 6.138 -3.861 1.00 0.00 C ATOM 634 CD GLN A 38 12.728 5.402 -4.634 1.00 0.00 C ATOM 635 OE1 GLN A 38 12.509 4.435 -5.360 1.00 0.00 O ATOM 636 NE2 GLN A 38 13.955 5.884 -4.556 1.00 0.00 N ATOM 0 H GLN A 38 9.527 4.144 -1.057 1.00 0.00 H new ATOM 0 HA GLN A 38 11.890 3.582 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.122 4.629 -3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.027 5.939 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.999 6.662 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.100 6.898 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.151 6.686 -3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.707 5.454 -5.095 1.00 0.00 H new ATOM 645 N SER A 39 12.186 5.915 -0.117 1.00 0.00 N ATOM 646 CA SER A 39 13.130 6.690 0.682 1.00 0.00 C ATOM 647 C SER A 39 14.257 5.759 1.148 1.00 0.00 C ATOM 648 O SER A 39 15.421 6.156 1.184 1.00 0.00 O ATOM 649 CB SER A 39 12.343 7.338 1.828 1.00 0.00 C ATOM 650 OG SER A 39 13.139 8.175 2.636 1.00 0.00 O ATOM 0 H SER A 39 11.227 5.976 0.226 1.00 0.00 H new ATOM 0 HA SER A 39 13.607 7.492 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.519 7.919 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.902 6.556 2.447 1.00 0.00 H new ATOM 0 HG SER A 39 12.588 8.562 3.348 1.00 0.00 H new ATOM 656 N LYS A 40 13.928 4.519 1.536 1.00 0.00 N ATOM 657 CA LYS A 40 14.913 3.523 1.955 1.00 0.00 C ATOM 658 C LYS A 40 15.647 2.951 0.743 1.00 0.00 C ATOM 659 O LYS A 40 16.836 2.645 0.840 1.00 0.00 O ATOM 660 CB LYS A 40 14.251 2.375 2.738 1.00 0.00 C ATOM 661 CG LYS A 40 13.858 2.819 4.151 1.00 0.00 C ATOM 662 CD LYS A 40 13.259 1.659 4.962 1.00 0.00 C ATOM 663 CE LYS A 40 11.739 1.532 4.821 1.00 0.00 C ATOM 664 NZ LYS A 40 11.018 2.711 5.337 1.00 0.00 N ATOM 0 H LYS A 40 12.966 4.181 1.567 1.00 0.00 H new ATOM 0 HA LYS A 40 15.626 4.025 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.366 2.030 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.937 1.530 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.735 3.210 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.135 3.632 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.724 0.726 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.508 1.796 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.487 1.388 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.402 0.643 5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.114 2.410 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.595 3.180 6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.836 3.375 4.558 1.00 0.00 H new ATOM 678 N ARG A 41 14.957 2.758 -0.384 1.00 0.00 N ATOM 679 CA ARG A 41 15.499 2.203 -1.626 1.00 0.00 C ATOM 680 C ARG A 41 16.539 3.115 -2.263 1.00 0.00 C ATOM 681 O ARG A 41 17.547 2.623 -2.758 1.00 0.00 O ATOM 682 CB ARG A 41 14.325 1.971 -2.598 1.00 0.00 C ATOM 683 CG ARG A 41 14.596 0.952 -3.710 1.00 0.00 C ATOM 684 CD ARG A 41 15.279 1.552 -4.942 1.00 0.00 C ATOM 685 NE ARG A 41 14.968 0.784 -6.162 1.00 0.00 N ATOM 686 CZ ARG A 41 14.239 1.205 -7.204 1.00 0.00 C ATOM 687 NH1 ARG A 41 13.554 2.342 -7.154 1.00 0.00 N ATOM 688 NH2 ARG A 41 14.182 0.480 -8.312 1.00 0.00 N ATOM 0 H ARG A 41 13.967 2.993 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 41 16.007 1.266 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.459 1.639 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.059 2.924 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.221 0.152 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.652 0.499 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.957 2.586 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.358 1.571 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 41 15.346 -0.162 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.576 2.914 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.006 2.643 -7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.694 -0.400 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.626 0.802 -9.104 1.00 0.00 H new ATOM 702 N GLN A 42 16.308 4.421 -2.240 1.00 0.00 N ATOM 703 CA GLN A 42 17.172 5.438 -2.820 1.00 0.00 C ATOM 704 C GLN A 42 18.635 5.324 -2.371 1.00 0.00 C ATOM 705 O GLN A 42 19.469 5.095 -3.235 1.00 0.00 O ATOM 706 CB GLN A 42 16.577 6.848 -2.647 1.00 0.00 C ATOM 707 CG GLN A 42 16.758 7.700 -3.917 1.00 0.00 C ATOM 708 CD GLN A 42 18.226 7.942 -4.249 1.00 0.00 C ATOM 709 OE1 GLN A 42 18.930 8.575 -3.474 1.00 0.00 O ATOM 710 NE2 GLN A 42 18.718 7.425 -5.362 1.00 0.00 N ATOM 0 H GLN A 42 15.478 4.816 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 42 17.208 5.248 -3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.516 6.769 -2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.057 7.345 -1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.275 7.202 -4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.256 8.658 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.111 6.901 -5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.704 7.550 -5.590 1.00 0.00 H new ATOM 719 N PRO A 43 19.006 5.411 -1.083 1.00 0.00 N ATOM 720 CA PRO A 43 20.408 5.293 -0.686 1.00 0.00 C ATOM 721 C PRO A 43 20.992 3.926 -1.075 1.00 0.00 C ATOM 722 O PRO A 43 22.206 3.788 -1.171 1.00 0.00 O ATOM 723 CB PRO A 43 20.450 5.559 0.821 1.00 0.00 C ATOM 724 CG PRO A 43 19.030 5.212 1.253 1.00 0.00 C ATOM 725 CD PRO A 43 18.181 5.664 0.075 1.00 0.00 C ATOM 0 HA PRO A 43 21.035 6.015 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.191 4.937 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.701 6.596 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 43 18.918 4.145 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.752 5.730 2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.245 5.108 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.921 6.720 0.155 1.00 0.00 H new ATOM 733 N ILE A 44 20.162 2.894 -1.260 1.00 0.00 N ATOM 734 CA ILE A 44 20.647 1.581 -1.653 1.00 0.00 C ATOM 735 C ILE A 44 21.035 1.647 -3.138 1.00 0.00 C ATOM 736 O ILE A 44 22.109 1.177 -3.499 1.00 0.00 O ATOM 737 CB ILE A 44 19.621 0.473 -1.321 1.00 0.00 C ATOM 738 CG1 ILE A 44 19.240 0.408 0.176 1.00 0.00 C ATOM 739 CG2 ILE A 44 20.257 -0.871 -1.681 1.00 0.00 C ATOM 740 CD1 ILE A 44 18.011 -0.466 0.469 1.00 0.00 C ATOM 0 H ILE A 44 19.150 2.950 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 44 21.533 1.308 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 44 18.715 0.695 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 44 20.090 0.024 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 44 19.049 1.419 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.557 -1.676 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 44 20.500 -0.885 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 44 21.168 -1.010 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.808 -0.461 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.148 -0.071 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 44 18.204 -1.487 0.141 1.00 0.00 H new ATOM 752 N LEU A 45 20.173 2.203 -4.000 1.00 0.00 N ATOM 753 CA LEU A 45 20.467 2.319 -5.431 1.00 0.00 C ATOM 754 C LEU A 45 21.664 3.250 -5.642 1.00 0.00 C ATOM 755 O LEU A 45 22.528 2.976 -6.469 1.00 0.00 O ATOM 756 CB LEU A 45 19.207 2.661 -6.246 1.00 0.00 C ATOM 757 CG LEU A 45 18.809 4.136 -6.403 1.00 0.00 C ATOM 758 CD1 LEU A 45 19.505 4.821 -7.579 1.00 0.00 C ATOM 759 CD2 LEU A 45 17.282 4.249 -6.558 1.00 0.00 C ATOM 0 H LEU A 45 19.265 2.580 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 45 20.773 1.352 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.337 2.245 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.366 2.138 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 45 19.136 4.652 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.183 5.861 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 20.585 4.783 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 45 19.245 4.308 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.004 5.297 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.964 3.694 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.795 3.836 -5.674 1.00 0.00 H new ATOM 771 N ASP A 46 21.742 4.306 -4.834 1.00 0.00 N ATOM 772 CA ASP A 46 22.835 5.276 -4.883 1.00 0.00 C ATOM 773 C ASP A 46 24.155 4.584 -4.520 1.00 0.00 C ATOM 774 O ASP A 46 25.171 4.817 -5.171 1.00 0.00 O ATOM 775 CB ASP A 46 22.515 6.428 -3.921 1.00 0.00 C ATOM 776 CG ASP A 46 23.747 7.151 -3.374 1.00 0.00 C ATOM 777 OD1 ASP A 46 24.320 8.016 -4.070 1.00 0.00 O ATOM 778 OD2 ASP A 46 24.057 6.946 -2.174 1.00 0.00 O ATOM 0 H ASP A 46 21.043 4.514 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 46 22.942 5.684 -5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 46 21.883 7.151 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 46 21.936 6.037 -3.084 1.00 0.00 H new ATOM 783 N ALA A 47 24.140 3.705 -3.512 1.00 0.00 N ATOM 784 CA ALA A 47 25.321 2.984 -3.059 1.00 0.00 C ATOM 785 C ALA A 47 25.869 2.011 -4.108 1.00 0.00 C ATOM 786 O ALA A 47 27.082 1.952 -4.289 1.00 0.00 O ATOM 787 CB ALA A 47 25.004 2.251 -1.757 1.00 0.00 C ATOM 0 H ALA A 47 23.296 3.476 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 47 26.106 3.720 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 47 25.889 1.711 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 47 24.706 2.973 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 47 24.191 1.545 -1.926 1.00 0.00 H new ATOM 793 N ILE A 48 25.025 1.229 -4.794 1.00 0.00 N ATOM 794 CA ILE A 48 25.547 0.304 -5.805 1.00 0.00 C ATOM 795 C ILE A 48 26.163 1.058 -6.977 1.00 0.00 C ATOM 796 O ILE A 48 27.178 0.621 -7.509 1.00 0.00 O ATOM 797 CB ILE A 48 24.492 -0.717 -6.273 1.00 0.00 C ATOM 798 CG1 ILE A 48 25.114 -1.799 -7.176 1.00 0.00 C ATOM 799 CG2 ILE A 48 23.261 -0.094 -6.940 1.00 0.00 C ATOM 800 CD1 ILE A 48 24.296 -3.097 -7.214 1.00 0.00 C ATOM 0 H ILE A 48 24.012 1.217 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 48 26.339 -0.273 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 48 24.128 -1.185 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 48 25.209 -1.407 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.121 -2.022 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 48 22.570 -0.883 -7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 48 22.766 0.575 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 48 23.570 0.470 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 48 24.788 -3.818 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 48 24.222 -3.510 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 48 23.296 -2.886 -7.594 1.00 0.00 H new ATOM 812 N GLU A 49 25.582 2.188 -7.373 1.00 0.00 N ATOM 813 CA GLU A 49 26.117 2.943 -8.490 1.00 0.00 C ATOM 814 C GLU A 49 27.424 3.649 -8.106 1.00 0.00 C ATOM 815 O GLU A 49 28.166 4.068 -8.991 1.00 0.00 O ATOM 816 CB GLU A 49 25.054 3.877 -9.082 1.00 0.00 C ATOM 817 CG GLU A 49 23.937 3.042 -9.740 1.00 0.00 C ATOM 818 CD GLU A 49 22.955 3.855 -10.585 1.00 0.00 C ATOM 819 OE1 GLU A 49 22.772 5.070 -10.373 1.00 0.00 O ATOM 820 OE2 GLU A 49 22.318 3.263 -11.493 1.00 0.00 O ATOM 0 H GLU A 49 24.752 2.592 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 49 26.382 2.251 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.635 4.510 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 49 25.508 4.540 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.394 2.279 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.382 2.521 -8.960 1.00 0.00 H new ATOM 827 N ALA A 50 27.745 3.749 -6.812 1.00 0.00 N ATOM 828 CA ALA A 50 28.961 4.380 -6.319 1.00 0.00 C ATOM 829 C ALA A 50 30.194 3.465 -6.438 1.00 0.00 C ATOM 830 O ALA A 50 31.290 3.913 -6.094 1.00 0.00 O ATOM 831 CB ALA A 50 28.748 4.815 -4.864 1.00 0.00 C ATOM 0 H ALA A 50 27.151 3.384 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 50 29.164 5.251 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 50 29.656 5.288 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 50 27.922 5.524 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 50 28.515 3.942 -4.254 1.00 0.00 H new ATOM 837 N LYS A 51 30.056 2.208 -6.890 1.00 0.00 N ATOM 838 CA LYS A 51 31.167 1.263 -7.029 1.00 0.00 C ATOM 839 C LYS A 51 31.227 0.647 -8.410 1.00 0.00 C ATOM 840 O LYS A 51 32.135 -0.189 -8.609 1.00 0.00 O ATOM 841 CB LYS A 51 31.124 0.207 -5.905 1.00 0.00 C ATOM 842 CG LYS A 51 29.800 -0.533 -5.675 1.00 0.00 C ATOM 843 CD LYS A 51 29.280 -1.484 -6.762 1.00 0.00 C ATOM 844 CE LYS A 51 30.188 -2.694 -7.009 1.00 0.00 C ATOM 845 NZ LYS A 51 30.940 -2.554 -8.275 1.00 0.00 N ATOM 0 H LYS A 51 29.157 1.818 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 51 32.098 1.820 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.893 -0.537 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 51 31.401 0.698 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.900 -1.109 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.030 0.218 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 51 28.288 -1.837 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 29.167 -0.930 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 51 30.886 -2.802 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 51 29.586 -3.602 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 31.398 -3.458 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 30.286 -2.290 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 31.665 -1.816 -8.168 1.00 0.00 H new TER 859 LYS A 51 ATOM 860 N GLY B 101 12.073 6.110 10.406 1.00 0.00 N ATOM 861 CA GLY B 101 13.425 6.461 10.864 1.00 0.00 C ATOM 862 C GLY B 101 14.359 5.263 10.858 1.00 0.00 C ATOM 863 O GLY B 101 14.244 4.411 11.743 1.00 0.00 O ATOM 0 HA2 GLY B 101 13.833 7.242 10.222 1.00 0.00 H new ATOM 0 HA3 GLY B 101 13.370 6.873 11.872 1.00 0.00 H new ATOM 867 N SER B 102 15.289 5.185 9.900 1.00 0.00 N ATOM 868 CA SER B 102 16.247 4.090 9.782 1.00 0.00 C ATOM 869 C SER B 102 17.582 4.640 9.277 1.00 0.00 C ATOM 870 O SER B 102 17.643 5.217 8.191 1.00 0.00 O ATOM 871 CB SER B 102 15.694 3.007 8.848 1.00 0.00 C ATOM 872 OG SER B 102 14.402 2.597 9.260 1.00 0.00 O ATOM 0 H SER B 102 15.396 5.895 9.175 1.00 0.00 H new ATOM 0 HA SER B 102 16.411 3.632 10.757 1.00 0.00 H new ATOM 0 HB2 SER B 102 15.651 3.388 7.828 1.00 0.00 H new ATOM 0 HB3 SER B 102 16.367 2.150 8.840 1.00 0.00 H new ATOM 0 HG SER B 102 14.068 1.907 8.650 1.00 0.00 H new ATOM 878 N ASP B 103 18.639 4.457 10.062 1.00 0.00 N ATOM 879 CA ASP B 103 19.996 4.910 9.780 1.00 0.00 C ATOM 880 C ASP B 103 20.657 3.959 8.786 1.00 0.00 C ATOM 881 O ASP B 103 21.170 2.906 9.174 1.00 0.00 O ATOM 882 CB ASP B 103 20.831 4.971 11.074 1.00 0.00 C ATOM 883 CG ASP B 103 20.444 6.079 12.052 1.00 0.00 C ATOM 884 OD1 ASP B 103 19.347 6.676 11.933 1.00 0.00 O ATOM 885 OD2 ASP B 103 21.168 6.227 13.060 1.00 0.00 O ATOM 0 H ASP B 103 18.569 3.966 10.953 1.00 0.00 H new ATOM 0 HA ASP B 103 19.946 5.911 9.353 1.00 0.00 H new ATOM 0 HB2 ASP B 103 20.747 4.012 11.586 1.00 0.00 H new ATOM 0 HB3 ASP B 103 21.879 5.098 10.804 1.00 0.00 H new ATOM 890 N TYR B 104 20.604 4.287 7.496 1.00 0.00 N ATOM 891 CA TYR B 104 21.199 3.510 6.406 1.00 0.00 C ATOM 892 C TYR B 104 22.041 4.432 5.507 1.00 0.00 C ATOM 893 O TYR B 104 22.361 4.086 4.381 1.00 0.00 O ATOM 894 CB TYR B 104 20.125 2.714 5.637 1.00 0.00 C ATOM 895 CG TYR B 104 19.697 1.404 6.276 1.00 0.00 C ATOM 896 CD1 TYR B 104 18.818 1.438 7.376 1.00 0.00 C ATOM 897 CD2 TYR B 104 20.157 0.156 5.787 1.00 0.00 C ATOM 898 CE1 TYR B 104 18.367 0.247 7.975 1.00 0.00 C ATOM 899 CE2 TYR B 104 19.737 -1.025 6.414 1.00 0.00 C ATOM 900 CZ TYR B 104 18.818 -0.994 7.479 1.00 0.00 C ATOM 901 OH TYR B 104 18.336 -2.174 7.960 1.00 0.00 O ATOM 0 H TYR B 104 20.130 5.129 7.168 1.00 0.00 H new ATOM 0 HA TYR B 104 21.876 2.762 6.819 1.00 0.00 H new ATOM 0 HB2 TYR B 104 19.244 3.346 5.520 1.00 0.00 H new ATOM 0 HB3 TYR B 104 20.501 2.504 4.636 1.00 0.00 H new ATOM 0 HD1 TYR B 104 18.486 2.389 7.764 1.00 0.00 H new ATOM 0 HD2 TYR B 104 20.825 0.115 4.939 1.00 0.00 H new ATOM 0 HE1 TYR B 104 17.681 0.283 8.808 1.00 0.00 H new ATOM 0 HE2 TYR B 104 20.125 -1.974 6.074 1.00 0.00 H new ATOM 0 HH TYR B 104 18.768 -2.919 7.492 1.00 0.00 H new ATOM 911 N GLU B 105 22.357 5.654 5.935 1.00 0.00 N ATOM 912 CA GLU B 105 23.165 6.603 5.155 1.00 0.00 C ATOM 913 C GLU B 105 24.595 6.069 5.041 1.00 0.00 C ATOM 914 O GLU B 105 25.271 6.274 4.034 1.00 0.00 O ATOM 915 CB GLU B 105 23.112 8.004 5.800 1.00 0.00 C ATOM 916 CG GLU B 105 21.667 8.445 6.100 1.00 0.00 C ATOM 917 CD GLU B 105 21.549 9.813 6.771 1.00 0.00 C ATOM 918 OE1 GLU B 105 21.685 10.844 6.076 1.00 0.00 O ATOM 919 OE2 GLU B 105 21.123 9.857 7.951 1.00 0.00 O ATOM 0 H GLU B 105 22.059 6.020 6.839 1.00 0.00 H new ATOM 0 HA GLU B 105 22.761 6.703 4.147 1.00 0.00 H new ATOM 0 HB2 GLU B 105 23.689 8.000 6.724 1.00 0.00 H new ATOM 0 HB3 GLU B 105 23.582 8.728 5.134 1.00 0.00 H new ATOM 0 HG2 GLU B 105 21.105 8.462 5.167 1.00 0.00 H new ATOM 0 HG3 GLU B 105 21.198 7.698 6.741 1.00 0.00 H new ATOM 926 N PHE B 106 25.010 5.321 6.065 1.00 0.00 N ATOM 927 CA PHE B 106 26.296 4.667 6.214 1.00 0.00 C ATOM 928 C PHE B 106 26.333 3.353 5.425 1.00 0.00 C ATOM 929 O PHE B 106 27.377 2.706 5.369 1.00 0.00 O ATOM 930 CB PHE B 106 26.508 4.366 7.706 1.00 0.00 C ATOM 931 CG PHE B 106 26.367 5.550 8.640 1.00 0.00 C ATOM 932 CD1 PHE B 106 27.079 6.737 8.394 1.00 0.00 C ATOM 933 CD2 PHE B 106 25.525 5.458 9.765 1.00 0.00 C ATOM 934 CE1 PHE B 106 26.948 7.829 9.267 1.00 0.00 C ATOM 935 CE2 PHE B 106 25.392 6.554 10.635 1.00 0.00 C ATOM 936 CZ PHE B 106 26.104 7.740 10.387 1.00 0.00 C ATOM 0 H PHE B 106 24.405 5.148 6.868 1.00 0.00 H new ATOM 0 HA PHE B 106 27.081 5.319 5.831 1.00 0.00 H new ATOM 0 HB2 PHE B 106 25.794 3.600 8.009 1.00 0.00 H new ATOM 0 HB3 PHE B 106 27.504 3.941 7.835 1.00 0.00 H new ATOM 0 HD1 PHE B 106 27.727 6.809 7.533 1.00 0.00 H new ATOM 0 HD2 PHE B 106 24.981 4.545 9.959 1.00 0.00 H new ATOM 0 HE1 PHE B 106 27.497 8.739 9.077 1.00 0.00 H new ATOM 0 HE2 PHE B 106 24.742 6.485 11.495 1.00 0.00 H new ATOM 0 HZ PHE B 106 26.003 8.582 11.056 1.00 0.00 H new ATOM 946 N LEU B 107 25.210 2.927 4.818 1.00 0.00 N ATOM 947 CA LEU B 107 25.151 1.684 4.054 1.00 0.00 C ATOM 948 C LEU B 107 26.176 1.697 2.929 1.00 0.00 C ATOM 949 O LEU B 107 26.566 0.631 2.485 1.00 0.00 O ATOM 950 CB LEU B 107 23.721 1.312 3.600 1.00 0.00 C ATOM 951 CG LEU B 107 23.270 1.787 2.196 1.00 0.00 C ATOM 952 CD1 LEU B 107 23.678 0.795 1.098 1.00 0.00 C ATOM 953 CD2 LEU B 107 21.739 1.869 2.117 1.00 0.00 C ATOM 0 H LEU B 107 24.327 3.437 4.848 1.00 0.00 H new ATOM 0 HA LEU B 107 25.429 0.870 4.724 1.00 0.00 H new ATOM 0 HB2 LEU B 107 23.629 0.226 3.633 1.00 0.00 H new ATOM 0 HB3 LEU B 107 23.020 1.714 4.332 1.00 0.00 H new ATOM 0 HG LEU B 107 23.745 2.757 2.046 1.00 0.00 H new ATOM 0 HD11 LEU B 107 23.343 1.166 0.130 1.00 0.00 H new ATOM 0 HD12 LEU B 107 24.763 0.687 1.090 1.00 0.00 H new ATOM 0 HD13 LEU B 107 23.219 -0.174 1.294 1.00 0.00 H new ATOM 0 HD21 LEU B 107 21.443 2.204 1.123 1.00 0.00 H new ATOM 0 HD22 LEU B 107 21.311 0.885 2.310 1.00 0.00 H new ATOM 0 HD23 LEU B 107 21.374 2.576 2.862 1.00 0.00 H new ATOM 965 N LYS B 108 26.662 2.862 2.495 1.00 0.00 N ATOM 966 CA LYS B 108 27.674 2.949 1.435 1.00 0.00 C ATOM 967 C LYS B 108 28.945 2.142 1.732 1.00 0.00 C ATOM 968 O LYS B 108 29.722 1.897 0.811 1.00 0.00 O ATOM 969 CB LYS B 108 28.088 4.408 1.255 1.00 0.00 C ATOM 970 CG LYS B 108 26.954 5.280 0.724 1.00 0.00 C ATOM 971 CD LYS B 108 27.435 6.730 0.712 1.00 0.00 C ATOM 972 CE LYS B 108 26.366 7.670 0.171 1.00 0.00 C ATOM 973 NZ LYS B 108 25.190 7.728 1.056 1.00 0.00 N ATOM 0 H LYS B 108 26.369 3.767 2.864 1.00 0.00 H new ATOM 0 HA LYS B 108 27.213 2.533 0.539 1.00 0.00 H new ATOM 0 HB2 LYS B 108 28.429 4.805 2.211 1.00 0.00 H new ATOM 0 HB3 LYS B 108 28.933 4.460 0.568 1.00 0.00 H new ATOM 0 HG2 LYS B 108 26.670 4.965 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS B 108 26.069 5.178 1.352 1.00 0.00 H new ATOM 0 HD2 LYS B 108 27.708 7.032 1.723 1.00 0.00 H new ATOM 0 HD3 LYS B 108 28.334 6.811 0.101 1.00 0.00 H new ATOM 0 HE2 LYS B 108 26.785 8.670 0.057 1.00 0.00 H new ATOM 0 HE3 LYS B 108 26.059 7.338 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 24.376 7.289 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 25.393 7.215 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 24.969 8.720 1.276 1.00 0.00 H new ATOM 987 N SER B 109 29.187 1.761 2.987 1.00 0.00 N ATOM 988 CA SER B 109 30.358 0.996 3.401 1.00 0.00 C ATOM 989 C SER B 109 30.120 -0.517 3.282 1.00 0.00 C ATOM 990 O SER B 109 31.004 -1.317 3.602 1.00 0.00 O ATOM 991 CB SER B 109 30.725 1.418 4.825 1.00 0.00 C ATOM 992 OG SER B 109 30.953 2.820 4.867 1.00 0.00 O ATOM 0 H SER B 109 28.558 1.982 3.759 1.00 0.00 H new ATOM 0 HA SER B 109 31.195 1.211 2.737 1.00 0.00 H new ATOM 0 HB2 SER B 109 29.922 1.150 5.512 1.00 0.00 H new ATOM 0 HB3 SER B 109 31.617 0.885 5.154 1.00 0.00 H new ATOM 0 HG SER B 109 31.186 3.086 5.781 1.00 0.00 H new ATOM 998 N TRP B 110 28.908 -0.933 2.910 1.00 0.00 N ATOM 999 CA TRP B 110 28.521 -2.319 2.715 1.00 0.00 C ATOM 1000 C TRP B 110 29.101 -2.792 1.380 1.00 0.00 C ATOM 1001 O TRP B 110 29.653 -2.006 0.605 1.00 0.00 O ATOM 1002 CB TRP B 110 26.988 -2.393 2.637 1.00 0.00 C ATOM 1003 CG TRP B 110 26.185 -2.258 3.901 1.00 0.00 C ATOM 1004 CD1 TRP B 110 24.839 -2.371 3.932 1.00 0.00 C ATOM 1005 CD2 TRP B 110 26.597 -2.083 5.297 1.00 0.00 C ATOM 1006 NE1 TRP B 110 24.393 -2.316 5.237 1.00 0.00 N ATOM 1007 CE2 TRP B 110 25.441 -2.218 6.122 1.00 0.00 C ATOM 1008 CE3 TRP B 110 27.817 -1.859 5.972 1.00 0.00 C ATOM 1009 CZ2 TRP B 110 25.507 -2.253 7.524 1.00 0.00 C ATOM 1010 CZ3 TRP B 110 27.890 -1.833 7.375 1.00 0.00 C ATOM 1011 CH2 TRP B 110 26.746 -2.066 8.156 1.00 0.00 C ATOM 0 H TRP B 110 28.143 -0.282 2.731 1.00 0.00 H new ATOM 0 HA TRP B 110 28.886 -2.939 3.534 1.00 0.00 H new ATOM 0 HB2 TRP B 110 26.656 -1.613 1.952 1.00 0.00 H new ATOM 0 HB3 TRP B 110 26.728 -3.349 2.183 1.00 0.00 H new ATOM 0 HD1 TRP B 110 24.206 -2.487 3.065 1.00 0.00 H new ATOM 0 HE1 TRP B 110 23.411 -2.344 5.510 1.00 0.00 H new ATOM 0 HE3 TRP B 110 28.717 -1.704 5.395 1.00 0.00 H new ATOM 0 HZ2 TRP B 110 24.615 -2.422 8.109 1.00 0.00 H new ATOM 0 HZ3 TRP B 110 28.835 -1.632 7.858 1.00 0.00 H new ATOM 0 HH2 TRP B 110 26.819 -2.101 9.233 1.00 0.00 H new ATOM 1022 N THR B 111 29.039 -4.094 1.131 1.00 0.00 N ATOM 1023 CA THR B 111 29.502 -4.665 -0.122 1.00 0.00 C ATOM 1024 C THR B 111 28.322 -4.591 -1.091 1.00 0.00 C ATOM 1025 O THR B 111 27.165 -4.375 -0.691 1.00 0.00 O ATOM 1026 CB THR B 111 29.901 -6.137 0.109 1.00 0.00 C ATOM 1027 OG1 THR B 111 28.807 -6.833 0.673 1.00 0.00 O ATOM 1028 CG2 THR B 111 31.120 -6.259 1.021 1.00 0.00 C ATOM 0 H THR B 111 28.668 -4.779 1.790 1.00 0.00 H new ATOM 0 HA THR B 111 30.367 -4.132 -0.516 1.00 0.00 H new ATOM 0 HB THR B 111 30.168 -6.572 -0.854 1.00 0.00 H new ATOM 0 HG1 THR B 111 29.056 -7.769 0.820 1.00 0.00 H new ATOM 0 HG21 THR B 111 31.368 -7.312 1.158 1.00 0.00 H new ATOM 0 HG22 THR B 111 31.966 -5.743 0.568 1.00 0.00 H new ATOM 0 HG23 THR B 111 30.897 -5.810 1.989 1.00 0.00 H new ATOM 1036 N VAL B 112 28.613 -4.855 -2.365 1.00 0.00 N ATOM 1037 CA VAL B 112 27.573 -4.853 -3.376 1.00 0.00 C ATOM 1038 C VAL B 112 26.547 -5.945 -3.023 1.00 0.00 C ATOM 1039 O VAL B 112 25.363 -5.788 -3.282 1.00 0.00 O ATOM 1040 CB VAL B 112 28.216 -4.966 -4.769 1.00 0.00 C ATOM 1041 CG1 VAL B 112 29.016 -6.260 -4.986 1.00 0.00 C ATOM 1042 CG2 VAL B 112 27.162 -4.789 -5.859 1.00 0.00 C ATOM 0 H VAL B 112 29.548 -5.069 -2.711 1.00 0.00 H new ATOM 0 HA VAL B 112 27.014 -3.918 -3.401 1.00 0.00 H new ATOM 0 HB VAL B 112 28.944 -4.157 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL B 112 29.437 -6.263 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL B 112 29.822 -6.316 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL B 112 28.357 -7.120 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL B 112 27.634 -4.872 -6.838 1.00 0.00 H new ATOM 0 HG22 VAL B 112 26.400 -5.561 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL B 112 26.699 -3.807 -5.761 1.00 0.00 H new ATOM 1052 N GLU B 113 26.979 -7.052 -2.415 1.00 0.00 N ATOM 1053 CA GLU B 113 26.124 -8.155 -2.002 1.00 0.00 C ATOM 1054 C GLU B 113 25.200 -7.699 -0.868 1.00 0.00 C ATOM 1055 O GLU B 113 23.976 -7.784 -0.984 1.00 0.00 O ATOM 1056 CB GLU B 113 27.025 -9.311 -1.523 1.00 0.00 C ATOM 1057 CG GLU B 113 27.105 -10.486 -2.505 1.00 0.00 C ATOM 1058 CD GLU B 113 25.893 -11.419 -2.411 1.00 0.00 C ATOM 1059 OE1 GLU B 113 25.487 -11.802 -1.288 1.00 0.00 O ATOM 1060 OE2 GLU B 113 25.344 -11.826 -3.456 1.00 0.00 O ATOM 0 H GLU B 113 27.963 -7.205 -2.192 1.00 0.00 H new ATOM 0 HA GLU B 113 25.506 -8.487 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU B 113 28.030 -8.927 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU B 113 26.653 -9.675 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU B 113 27.183 -10.100 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU B 113 28.013 -11.056 -2.310 1.00 0.00 H new ATOM 1067 N ASP B 114 25.788 -7.152 0.198 1.00 0.00 N ATOM 1068 CA ASP B 114 25.084 -6.685 1.390 1.00 0.00 C ATOM 1069 C ASP B 114 24.030 -5.644 1.044 1.00 0.00 C ATOM 1070 O ASP B 114 22.930 -5.669 1.596 1.00 0.00 O ATOM 1071 CB ASP B 114 26.060 -6.071 2.399 1.00 0.00 C ATOM 1072 CG ASP B 114 26.691 -7.045 3.388 1.00 0.00 C ATOM 1073 OD1 ASP B 114 26.772 -8.272 3.139 1.00 0.00 O ATOM 1074 OD2 ASP B 114 27.112 -6.546 4.452 1.00 0.00 O ATOM 0 H ASP B 114 26.798 -7.019 0.255 1.00 0.00 H new ATOM 0 HA ASP B 114 24.599 -7.557 1.828 1.00 0.00 H new ATOM 0 HB2 ASP B 114 26.858 -5.574 1.848 1.00 0.00 H new ATOM 0 HB3 ASP B 114 25.534 -5.300 2.962 1.00 0.00 H new ATOM 1079 N LEU B 115 24.347 -4.695 0.162 1.00 0.00 N ATOM 1080 CA LEU B 115 23.390 -3.668 -0.221 1.00 0.00 C ATOM 1081 C LEU B 115 22.339 -4.252 -1.162 1.00 0.00 C ATOM 1082 O LEU B 115 21.155 -3.962 -0.975 1.00 0.00 O ATOM 1083 CB LEU B 115 24.099 -2.420 -0.788 1.00 0.00 C ATOM 1084 CG LEU B 115 24.433 -2.468 -2.292 1.00 0.00 C ATOM 1085 CD1 LEU B 115 23.236 -2.087 -3.170 1.00 0.00 C ATOM 1086 CD2 LEU B 115 25.602 -1.540 -2.605 1.00 0.00 C ATOM 0 H LEU B 115 25.255 -4.620 -0.296 1.00 0.00 H new ATOM 0 HA LEU B 115 22.861 -3.323 0.668 1.00 0.00 H new ATOM 0 HB2 LEU B 115 23.469 -1.550 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU B 115 25.025 -2.267 -0.233 1.00 0.00 H new ATOM 0 HG LEU B 115 24.701 -3.499 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU B 115 23.524 -2.137 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU B 115 22.415 -2.780 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU B 115 22.916 -1.073 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU B 115 25.827 -1.584 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU B 115 25.339 -0.518 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU B 115 26.478 -1.853 -2.036 1.00 0.00 H new ATOM 1098 N GLN B 116 22.735 -5.075 -2.145 1.00 0.00 N ATOM 1099 CA GLN B 116 21.814 -5.664 -3.110 1.00 0.00 C ATOM 1100 C GLN B 116 20.735 -6.456 -2.384 1.00 0.00 C ATOM 1101 O GLN B 116 19.561 -6.337 -2.720 1.00 0.00 O ATOM 1102 CB GLN B 116 22.578 -6.521 -4.128 1.00 0.00 C ATOM 1103 CG GLN B 116 21.704 -7.033 -5.274 1.00 0.00 C ATOM 1104 CD GLN B 116 21.335 -5.917 -6.245 1.00 0.00 C ATOM 1105 OE1 GLN B 116 20.299 -5.272 -6.120 1.00 0.00 O ATOM 1106 NE2 GLN B 116 22.179 -5.642 -7.224 1.00 0.00 N ATOM 0 H GLN B 116 23.708 -5.347 -2.287 1.00 0.00 H new ATOM 0 HA GLN B 116 21.319 -4.870 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN B 116 23.398 -5.934 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN B 116 23.023 -7.372 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN B 116 22.232 -7.822 -5.810 1.00 0.00 H new ATOM 0 HG3 GLN B 116 20.795 -7.477 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN B 116 23.039 -6.182 -7.323 1.00 0.00 H new ATOM 0 HE22 GLN B 116 21.971 -4.890 -7.881 1.00 0.00 H new ATOM 1115 N LYS B 117 21.096 -7.212 -1.343 1.00 0.00 N ATOM 1116 CA LYS B 117 20.116 -7.988 -0.586 1.00 0.00 C ATOM 1117 C LYS B 117 19.066 -7.061 0.019 1.00 0.00 C ATOM 1118 O LYS B 117 17.896 -7.420 0.103 1.00 0.00 O ATOM 1119 CB LYS B 117 20.820 -8.878 0.453 1.00 0.00 C ATOM 1120 CG LYS B 117 21.112 -10.273 -0.126 1.00 0.00 C ATOM 1121 CD LYS B 117 22.105 -10.312 -1.298 1.00 0.00 C ATOM 1122 CE LYS B 117 22.112 -11.670 -2.000 1.00 0.00 C ATOM 1123 NZ LYS B 117 22.916 -12.675 -1.292 1.00 0.00 N ATOM 0 H LYS B 117 22.055 -7.301 -1.008 1.00 0.00 H new ATOM 0 HA LYS B 117 19.584 -8.665 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS B 117 21.752 -8.408 0.768 1.00 0.00 H new ATOM 0 HB3 LYS B 117 20.194 -8.972 1.341 1.00 0.00 H new ATOM 0 HG2 LYS B 117 21.497 -10.905 0.674 1.00 0.00 H new ATOM 0 HG3 LYS B 117 20.171 -10.714 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS B 117 21.848 -9.534 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS B 117 23.107 -10.089 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS B 117 21.088 -12.031 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS B 117 22.500 -11.549 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 23.039 -13.511 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 23.848 -12.274 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 22.431 -12.952 -0.415 1.00 0.00 H new ATOM 1137 N ARG B 118 19.437 -5.851 0.438 1.00 0.00 N ATOM 1138 CA ARG B 118 18.477 -4.907 1.001 1.00 0.00 C ATOM 1139 C ARG B 118 17.598 -4.382 -0.128 1.00 0.00 C ATOM 1140 O ARG B 118 16.391 -4.283 0.063 1.00 0.00 O ATOM 1141 CB ARG B 118 19.182 -3.766 1.760 1.00 0.00 C ATOM 1142 CG ARG B 118 20.058 -4.329 2.885 1.00 0.00 C ATOM 1143 CD ARG B 118 20.932 -3.304 3.588 1.00 0.00 C ATOM 1144 NE ARG B 118 21.922 -3.992 4.443 1.00 0.00 N ATOM 1145 CZ ARG B 118 21.720 -4.526 5.655 1.00 0.00 C ATOM 1146 NH1 ARG B 118 20.518 -4.506 6.219 1.00 0.00 N ATOM 1147 NH2 ARG B 118 22.736 -5.057 6.318 1.00 0.00 N ATOM 0 H ARG B 118 20.395 -5.504 0.397 1.00 0.00 H new ATOM 0 HA ARG B 118 17.853 -5.415 1.736 1.00 0.00 H new ATOM 0 HB2 ARG B 118 19.795 -3.187 1.070 1.00 0.00 H new ATOM 0 HB3 ARG B 118 18.439 -3.085 2.176 1.00 0.00 H new ATOM 0 HG2 ARG B 118 19.414 -4.804 3.625 1.00 0.00 H new ATOM 0 HG3 ARG B 118 20.698 -5.109 2.472 1.00 0.00 H new ATOM 0 HD2 ARG B 118 21.443 -2.682 2.852 1.00 0.00 H new ATOM 0 HD3 ARG B 118 20.315 -2.640 4.193 1.00 0.00 H new ATOM 0 HE ARG B 118 22.867 -4.069 4.067 1.00 0.00 H new ATOM 0 HH11 ARG B 118 19.732 -4.080 5.729 1.00 0.00 H new ATOM 0 HH12 ARG B 118 20.381 -4.917 7.142 1.00 0.00 H new ATOM 0 HH21 ARG B 118 23.669 -5.059 5.906 1.00 0.00 H new ATOM 0 HH22 ARG B 118 22.586 -5.464 7.241 1.00 0.00 H new ATOM 1161 N LEU B 119 18.189 -4.058 -1.283 1.00 0.00 N ATOM 1162 CA LEU B 119 17.497 -3.532 -2.458 1.00 0.00 C ATOM 1163 C LEU B 119 16.441 -4.519 -2.960 1.00 0.00 C ATOM 1164 O LEU B 119 15.272 -4.161 -3.082 1.00 0.00 O ATOM 1165 CB LEU B 119 18.534 -3.241 -3.567 1.00 0.00 C ATOM 1166 CG LEU B 119 18.206 -2.018 -4.446 1.00 0.00 C ATOM 1167 CD1 LEU B 119 19.329 -1.797 -5.467 1.00 0.00 C ATOM 1168 CD2 LEU B 119 16.881 -2.158 -5.197 1.00 0.00 C ATOM 0 H LEU B 119 19.194 -4.159 -1.427 1.00 0.00 H new ATOM 0 HA LEU B 119 16.984 -2.610 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU B 119 19.509 -3.088 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.619 -4.120 -4.207 1.00 0.00 H new ATOM 0 HG LEU B 119 18.116 -1.166 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU B 119 19.093 -0.932 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU B 119 20.268 -1.622 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU B 119 19.425 -2.680 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU B 119 16.707 -1.265 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU B 119 16.922 -3.031 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU B 119 16.068 -2.278 -4.481 1.00 0.00 H new ATOM 1180 N LEU B 120 16.831 -5.775 -3.176 1.00 0.00 N ATOM 1181 CA LEU B 120 15.935 -6.810 -3.673 1.00 0.00 C ATOM 1182 C LEU B 120 14.870 -7.163 -2.642 1.00 0.00 C ATOM 1183 O LEU B 120 13.737 -7.407 -3.042 1.00 0.00 O ATOM 1184 CB LEU B 120 16.719 -8.027 -4.197 1.00 0.00 C ATOM 1185 CG LEU B 120 17.156 -9.034 -3.116 1.00 0.00 C ATOM 1186 CD1 LEU B 120 16.135 -10.156 -2.884 1.00 0.00 C ATOM 1187 CD2 LEU B 120 18.485 -9.685 -3.511 1.00 0.00 C ATOM 0 H LEU B 120 17.783 -6.101 -3.009 1.00 0.00 H new ATOM 0 HA LEU B 120 15.395 -6.415 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU B 120 16.104 -8.548 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU B 120 17.606 -7.671 -4.721 1.00 0.00 H new ATOM 0 HG LEU B 120 17.249 -8.461 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU B 120 16.504 -10.830 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU B 120 15.186 -9.724 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 120 15.988 -10.712 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU B 120 18.785 -10.395 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU B 120 18.366 -10.208 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU B 120 19.250 -8.916 -3.614 1.00 0.00 H new ATOM 1199 N ALA B 121 15.186 -7.155 -1.339 1.00 0.00 N ATOM 1200 CA ALA B 121 14.218 -7.468 -0.285 1.00 0.00 C ATOM 1201 C ALA B 121 13.126 -6.397 -0.210 1.00 0.00 C ATOM 1202 O ALA B 121 12.015 -6.659 0.258 1.00 0.00 O ATOM 1203 CB ALA B 121 14.928 -7.586 1.065 1.00 0.00 C ATOM 0 H ALA B 121 16.118 -6.932 -0.990 1.00 0.00 H new ATOM 0 HA ALA B 121 13.748 -8.421 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA B 121 14.198 -7.819 1.841 1.00 0.00 H new ATOM 0 HB2 ALA B 121 15.672 -8.381 1.016 1.00 0.00 H new ATOM 0 HB3 ALA B 121 15.420 -6.642 1.301 1.00 0.00 H new ATOM 1209 N LEU B 122 13.451 -5.185 -0.660 1.00 0.00 N ATOM 1210 CA LEU B 122 12.569 -4.034 -0.705 1.00 0.00 C ATOM 1211 C LEU B 122 11.458 -4.270 -1.739 1.00 0.00 C ATOM 1212 O LEU B 122 10.399 -3.647 -1.658 1.00 0.00 O ATOM 1213 CB LEU B 122 13.369 -2.744 -0.992 1.00 0.00 C ATOM 1214 CG LEU B 122 13.267 -1.647 0.079 1.00 0.00 C ATOM 1215 CD1 LEU B 122 11.820 -1.249 0.375 1.00 0.00 C ATOM 1216 CD2 LEU B 122 13.997 -2.059 1.363 1.00 0.00 C ATOM 0 H LEU B 122 14.383 -4.976 -1.019 1.00 0.00 H new ATOM 0 HA LEU B 122 12.096 -3.902 0.268 1.00 0.00 H new ATOM 0 HB2 LEU B 122 14.419 -3.009 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU B 122 13.030 -2.332 -1.942 1.00 0.00 H new ATOM 0 HG LEU B 122 13.760 -0.764 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU B 122 11.805 -0.471 1.138 1.00 0.00 H new ATOM 0 HD12 LEU B 122 11.353 -0.873 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU B 122 11.269 -2.119 0.733 1.00 0.00 H new ATOM 0 HD21 LEU B 122 13.908 -1.264 2.103 1.00 0.00 H new ATOM 0 HD22 LEU B 122 13.552 -2.973 1.757 1.00 0.00 H new ATOM 0 HD23 LEU B 122 15.050 -2.234 1.143 1.00 0.00 H new ATOM 1228 N ASP B 123 11.704 -5.074 -2.779 1.00 0.00 N ATOM 1229 CA ASP B 123 10.713 -5.366 -3.825 1.00 0.00 C ATOM 1230 C ASP B 123 9.499 -6.138 -3.276 1.00 0.00 C ATOM 1231 O ASP B 123 8.394 -5.590 -3.353 1.00 0.00 O ATOM 1232 CB ASP B 123 11.361 -6.015 -5.060 1.00 0.00 C ATOM 1233 CG ASP B 123 12.052 -4.974 -5.951 1.00 0.00 C ATOM 1234 OD1 ASP B 123 12.726 -4.039 -5.445 1.00 0.00 O ATOM 1235 OD2 ASP B 123 11.932 -5.069 -7.190 1.00 0.00 O ATOM 0 H ASP B 123 12.599 -5.543 -2.921 1.00 0.00 H new ATOM 0 HA ASP B 123 10.310 -4.415 -4.173 1.00 0.00 H new ATOM 0 HB2 ASP B 123 12.089 -6.761 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP B 123 10.600 -6.540 -5.637 1.00 0.00 H new ATOM 1240 N PRO B 124 9.640 -7.352 -2.696 1.00 0.00 N ATOM 1241 CA PRO B 124 8.510 -8.098 -2.150 1.00 0.00 C ATOM 1242 C PRO B 124 7.953 -7.413 -0.894 1.00 0.00 C ATOM 1243 O PRO B 124 6.813 -7.668 -0.515 1.00 0.00 O ATOM 1244 CB PRO B 124 9.026 -9.510 -1.864 1.00 0.00 C ATOM 1245 CG PRO B 124 10.506 -9.287 -1.592 1.00 0.00 C ATOM 1246 CD PRO B 124 10.853 -8.129 -2.523 1.00 0.00 C ATOM 0 HA PRO B 124 7.677 -8.136 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO B 124 8.522 -9.958 -1.008 1.00 0.00 H new ATOM 0 HB3 PRO B 124 8.868 -10.177 -2.712 1.00 0.00 H new ATOM 0 HG2 PRO B 124 10.691 -9.035 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO B 124 11.096 -10.176 -1.815 1.00 0.00 H new ATOM 0 HD2 PRO B 124 11.647 -7.516 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO B 124 11.215 -8.499 -3.482 1.00 0.00 H new ATOM 1254 N MET B 125 8.736 -6.552 -0.226 1.00 0.00 N ATOM 1255 CA MET B 125 8.295 -5.812 0.952 1.00 0.00 C ATOM 1256 C MET B 125 7.091 -4.971 0.539 1.00 0.00 C ATOM 1257 O MET B 125 6.073 -4.966 1.227 1.00 0.00 O ATOM 1258 CB MET B 125 9.411 -4.871 1.440 1.00 0.00 C ATOM 1259 CG MET B 125 10.264 -5.436 2.568 1.00 0.00 C ATOM 1260 SD MET B 125 9.478 -5.265 4.190 1.00 0.00 S ATOM 1261 CE MET B 125 10.860 -5.760 5.232 1.00 0.00 C ATOM 0 H MET B 125 9.699 -6.353 -0.495 1.00 0.00 H new ATOM 0 HA MET B 125 8.044 -6.504 1.756 1.00 0.00 H new ATOM 0 HB2 MET B 125 10.059 -4.629 0.598 1.00 0.00 H new ATOM 0 HB3 MET B 125 8.961 -3.937 1.775 1.00 0.00 H new ATOM 0 HG2 MET B 125 10.463 -6.490 2.375 1.00 0.00 H new ATOM 0 HG3 MET B 125 11.227 -4.926 2.580 1.00 0.00 H new ATOM 0 HE1 MET B 125 10.560 -5.716 6.279 1.00 0.00 H new ATOM 0 HE2 MET B 125 11.158 -6.778 4.982 1.00 0.00 H new ATOM 0 HE3 MET B 125 11.700 -5.086 5.067 1.00 0.00 H new ATOM 1271 N MET B 126 7.227 -4.226 -0.565 1.00 0.00 N ATOM 1272 CA MET B 126 6.149 -3.383 -1.049 1.00 0.00 C ATOM 1273 C MET B 126 5.014 -4.231 -1.606 1.00 0.00 C ATOM 1274 O MET B 126 3.858 -3.870 -1.437 1.00 0.00 O ATOM 1275 CB MET B 126 6.675 -2.364 -2.083 1.00 0.00 C ATOM 1276 CG MET B 126 6.230 -2.589 -3.545 1.00 0.00 C ATOM 1277 SD MET B 126 6.685 -1.297 -4.734 1.00 0.00 S ATOM 1278 CE MET B 126 8.467 -1.581 -4.805 1.00 0.00 C ATOM 0 H MET B 126 8.074 -4.196 -1.132 1.00 0.00 H new ATOM 0 HA MET B 126 5.746 -2.813 -0.212 1.00 0.00 H new ATOM 0 HB2 MET B 126 6.356 -1.368 -1.776 1.00 0.00 H new ATOM 0 HB3 MET B 126 7.764 -2.373 -2.051 1.00 0.00 H new ATOM 0 HG2 MET B 126 6.651 -3.534 -3.889 1.00 0.00 H new ATOM 0 HG3 MET B 126 5.146 -2.700 -3.559 1.00 0.00 H new ATOM 0 HE1 MET B 126 8.909 -0.931 -5.560 1.00 0.00 H new ATOM 0 HE2 MET B 126 8.909 -1.362 -3.833 1.00 0.00 H new ATOM 0 HE3 MET B 126 8.659 -2.622 -5.065 1.00 0.00 H new ATOM 1288 N GLU B 127 5.338 -5.316 -2.306 1.00 0.00 N ATOM 1289 CA GLU B 127 4.343 -6.183 -2.914 1.00 0.00 C ATOM 1290 C GLU B 127 3.336 -6.685 -1.892 1.00 0.00 C ATOM 1291 O GLU B 127 2.136 -6.555 -2.132 1.00 0.00 O ATOM 1292 CB GLU B 127 5.046 -7.331 -3.629 1.00 0.00 C ATOM 1293 CG GLU B 127 4.052 -8.204 -4.396 1.00 0.00 C ATOM 1294 CD GLU B 127 4.821 -9.019 -5.420 1.00 0.00 C ATOM 1295 OE1 GLU B 127 5.079 -8.465 -6.512 1.00 0.00 O ATOM 1296 OE2 GLU B 127 5.262 -10.141 -5.085 1.00 0.00 O ATOM 0 H GLU B 127 6.300 -5.615 -2.465 1.00 0.00 H new ATOM 0 HA GLU B 127 3.774 -5.610 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU B 127 5.789 -6.931 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU B 127 5.582 -7.941 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU B 127 3.518 -8.862 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU B 127 3.304 -7.583 -4.889 1.00 0.00 H new ATOM 1303 N GLN B 128 3.840 -7.222 -0.782 1.00 0.00 N ATOM 1304 CA GLN B 128 3.063 -7.757 0.315 1.00 0.00 C ATOM 1305 C GLN B 128 2.212 -6.676 0.978 1.00 0.00 C ATOM 1306 O GLN B 128 1.023 -6.895 1.201 1.00 0.00 O ATOM 1307 CB GLN B 128 4.044 -8.405 1.300 1.00 0.00 C ATOM 1308 CG GLN B 128 3.423 -8.881 2.618 1.00 0.00 C ATOM 1309 CD GLN B 128 2.247 -9.831 2.397 1.00 0.00 C ATOM 1310 OE1 GLN B 128 2.430 -10.895 1.810 1.00 0.00 O ATOM 1311 NE2 GLN B 128 1.057 -9.486 2.853 1.00 0.00 N ATOM 0 H GLN B 128 4.845 -7.295 -0.624 1.00 0.00 H new ATOM 0 HA GLN B 128 2.357 -8.504 -0.048 1.00 0.00 H new ATOM 0 HB2 GLN B 128 4.517 -9.257 0.811 1.00 0.00 H new ATOM 0 HB3 GLN B 128 4.834 -7.689 1.526 1.00 0.00 H new ATOM 0 HG2 GLN B 128 4.185 -9.382 3.215 1.00 0.00 H new ATOM 0 HG3 GLN B 128 3.086 -8.017 3.191 1.00 0.00 H new ATOM 0 HE21 GLN B 128 0.934 -8.596 3.337 1.00 0.00 H new ATOM 0 HE22 GLN B 128 0.260 -10.109 2.722 1.00 0.00 H new ATOM 1320 N GLU B 129 2.803 -5.527 1.312 1.00 0.00 N ATOM 1321 CA GLU B 129 2.057 -4.467 1.967 1.00 0.00 C ATOM 1322 C GLU B 129 0.954 -3.947 1.061 1.00 0.00 C ATOM 1323 O GLU B 129 -0.175 -3.768 1.516 1.00 0.00 O ATOM 1324 CB GLU B 129 3.003 -3.340 2.382 1.00 0.00 C ATOM 1325 CG GLU B 129 3.961 -3.782 3.486 1.00 0.00 C ATOM 1326 CD GLU B 129 3.217 -4.013 4.799 1.00 0.00 C ATOM 1327 OE1 GLU B 129 3.062 -3.036 5.575 1.00 0.00 O ATOM 1328 OE2 GLU B 129 2.843 -5.169 5.091 1.00 0.00 O ATOM 0 H GLU B 129 3.785 -5.314 1.139 1.00 0.00 H new ATOM 0 HA GLU B 129 1.587 -4.871 2.864 1.00 0.00 H new ATOM 0 HB2 GLU B 129 3.575 -3.008 1.516 1.00 0.00 H new ATOM 0 HB3 GLU B 129 2.421 -2.485 2.726 1.00 0.00 H new ATOM 0 HG2 GLU B 129 4.469 -4.699 3.186 1.00 0.00 H new ATOM 0 HG3 GLU B 129 4.731 -3.024 3.629 1.00 0.00 H new ATOM 1335 N ILE B 130 1.278 -3.666 -0.204 1.00 0.00 N ATOM 1336 CA ILE B 130 0.288 -3.166 -1.129 1.00 0.00 C ATOM 1337 C ILE B 130 -0.770 -4.249 -1.349 1.00 0.00 C ATOM 1338 O ILE B 130 -1.941 -3.900 -1.259 1.00 0.00 O ATOM 1339 CB ILE B 130 0.931 -2.600 -2.426 1.00 0.00 C ATOM 1340 CG1 ILE B 130 1.498 -1.170 -2.200 1.00 0.00 C ATOM 1341 CG2 ILE B 130 -0.111 -2.490 -3.560 1.00 0.00 C ATOM 1342 CD1 ILE B 130 2.861 -1.037 -1.520 1.00 0.00 C ATOM 0 H ILE B 130 2.212 -3.779 -0.597 1.00 0.00 H new ATOM 0 HA ILE B 130 -0.223 -2.301 -0.706 1.00 0.00 H new ATOM 0 HB ILE B 130 1.729 -3.291 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE B 130 1.560 -0.678 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE B 130 0.773 -0.613 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE B 130 0.366 -2.091 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE B 130 -0.520 -3.477 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE B 130 -0.916 -1.824 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE B 130 3.122 0.018 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE B 130 2.817 -1.484 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE B 130 3.616 -1.550 -2.116 1.00 0.00 H new ATOM 1354 N GLU B 131 -0.426 -5.522 -1.600 1.00 0.00 N ATOM 1355 CA GLU B 131 -1.444 -6.547 -1.839 1.00 0.00 C ATOM 1356 C GLU B 131 -2.391 -6.681 -0.663 1.00 0.00 C ATOM 1357 O GLU B 131 -3.592 -6.783 -0.897 1.00 0.00 O ATOM 1358 CB GLU B 131 -0.904 -7.910 -2.312 1.00 0.00 C ATOM 1359 CG GLU B 131 -0.476 -8.921 -1.234 1.00 0.00 C ATOM 1360 CD GLU B 131 -0.073 -10.282 -1.817 1.00 0.00 C ATOM 1361 OE1 GLU B 131 -0.115 -10.463 -3.057 1.00 0.00 O ATOM 1362 OE2 GLU B 131 0.233 -11.202 -1.024 1.00 0.00 O ATOM 0 H GLU B 131 0.536 -5.859 -1.642 1.00 0.00 H new ATOM 0 HA GLU B 131 -2.013 -6.178 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -1.671 -8.380 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -0.046 -7.725 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU B 131 0.362 -8.510 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -1.296 -9.062 -0.529 1.00 0.00 H new ATOM 1369 N GLU B 132 -1.879 -6.651 0.570 1.00 0.00 N ATOM 1370 CA GLU B 132 -2.722 -6.759 1.746 1.00 0.00 C ATOM 1371 C GLU B 132 -3.681 -5.569 1.741 1.00 0.00 C ATOM 1372 O GLU B 132 -4.883 -5.745 1.930 1.00 0.00 O ATOM 1373 CB GLU B 132 -1.877 -6.848 3.025 1.00 0.00 C ATOM 1374 CG GLU B 132 -2.774 -7.135 4.238 1.00 0.00 C ATOM 1375 CD GLU B 132 -1.998 -7.373 5.534 1.00 0.00 C ATOM 1376 OE1 GLU B 132 -0.997 -6.664 5.795 1.00 0.00 O ATOM 1377 OE2 GLU B 132 -2.452 -8.199 6.352 1.00 0.00 O ATOM 0 H GLU B 132 -0.884 -6.553 0.772 1.00 0.00 H new ATOM 0 HA GLU B 132 -3.305 -7.680 1.724 1.00 0.00 H new ATOM 0 HB2 GLU B 132 -1.131 -7.636 2.922 1.00 0.00 H new ATOM 0 HB3 GLU B 132 -1.336 -5.914 3.177 1.00 0.00 H new ATOM 0 HG2 GLU B 132 -3.455 -6.296 4.382 1.00 0.00 H new ATOM 0 HG3 GLU B 132 -3.387 -8.011 4.026 1.00 0.00 H new ATOM 1384 N ILE B 133 -3.180 -4.356 1.488 1.00 0.00 N ATOM 1385 CA ILE B 133 -4.002 -3.155 1.439 1.00 0.00 C ATOM 1386 C ILE B 133 -5.065 -3.280 0.340 1.00 0.00 C ATOM 1387 O ILE B 133 -6.228 -2.933 0.568 1.00 0.00 O ATOM 1388 CB ILE B 133 -3.119 -1.894 1.312 1.00 0.00 C ATOM 1389 CG1 ILE B 133 -2.330 -1.672 2.622 1.00 0.00 C ATOM 1390 CG2 ILE B 133 -4.012 -0.670 1.095 1.00 0.00 C ATOM 1391 CD1 ILE B 133 -1.225 -0.624 2.502 1.00 0.00 C ATOM 0 H ILE B 133 -2.190 -4.185 1.312 1.00 0.00 H new ATOM 0 HA ILE B 133 -4.546 -3.045 2.377 1.00 0.00 H new ATOM 0 HB ILE B 133 -2.434 -2.029 0.475 1.00 0.00 H new ATOM 0 HG12 ILE B 133 -3.023 -1.368 3.406 1.00 0.00 H new ATOM 0 HG13 ILE B 133 -1.889 -2.618 2.935 1.00 0.00 H new ATOM 0 HG21 ILE B 133 -3.392 0.222 1.005 1.00 0.00 H new ATOM 0 HG22 ILE B 133 -4.594 -0.801 0.182 1.00 0.00 H new ATOM 0 HG23 ILE B 133 -4.688 -0.558 1.943 1.00 0.00 H new ATOM 0 HD11 ILE B 133 -0.715 -0.522 3.460 1.00 0.00 H new ATOM 0 HD12 ILE B 133 -0.509 -0.935 1.741 1.00 0.00 H new ATOM 0 HD13 ILE B 133 -1.661 0.334 2.220 1.00 0.00 H new ATOM 1403 N ARG B 134 -4.706 -3.753 -0.855 1.00 0.00 N ATOM 1404 CA ARG B 134 -5.660 -3.889 -1.947 1.00 0.00 C ATOM 1405 C ARG B 134 -6.706 -4.909 -1.558 1.00 0.00 C ATOM 1406 O ARG B 134 -7.883 -4.623 -1.709 1.00 0.00 O ATOM 1407 CB ARG B 134 -5.008 -4.261 -3.284 1.00 0.00 C ATOM 1408 CG ARG B 134 -3.853 -3.328 -3.670 1.00 0.00 C ATOM 1409 CD ARG B 134 -3.675 -3.217 -5.175 1.00 0.00 C ATOM 1410 NE ARG B 134 -4.574 -2.219 -5.780 1.00 0.00 N ATOM 1411 CZ ARG B 134 -4.983 -2.173 -7.053 1.00 0.00 C ATOM 1412 NH1 ARG B 134 -4.708 -3.153 -7.906 1.00 0.00 N ATOM 1413 NH2 ARG B 134 -5.666 -1.119 -7.472 1.00 0.00 N ATOM 0 H ARG B 134 -3.758 -4.048 -1.087 1.00 0.00 H new ATOM 0 HA ARG B 134 -6.120 -2.914 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -4.637 -5.285 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -5.764 -4.238 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -4.036 -2.337 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -2.929 -3.695 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -2.641 -2.951 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -3.858 -4.190 -5.631 1.00 0.00 H new ATOM 0 HE ARG B 134 -4.922 -1.485 -5.163 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -4.174 -3.964 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -5.031 -3.094 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -5.874 -0.357 -6.827 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -5.985 -1.069 -8.440 1.00 0.00 H new ATOM 1427 N GLN B 135 -6.311 -6.067 -1.038 1.00 0.00 N ATOM 1428 CA GLN B 135 -7.226 -7.120 -0.623 1.00 0.00 C ATOM 1429 C GLN B 135 -8.195 -6.607 0.438 1.00 0.00 C ATOM 1430 O GLN B 135 -9.413 -6.741 0.300 1.00 0.00 O ATOM 1431 CB GLN B 135 -6.434 -8.320 -0.087 1.00 0.00 C ATOM 1432 CG GLN B 135 -5.838 -9.137 -1.235 1.00 0.00 C ATOM 1433 CD GLN B 135 -6.921 -9.786 -2.095 1.00 0.00 C ATOM 1434 OE1 GLN B 135 -7.923 -10.307 -1.605 1.00 0.00 O ATOM 1435 NE2 GLN B 135 -6.830 -9.691 -3.405 1.00 0.00 N ATOM 0 H GLN B 135 -5.329 -6.302 -0.892 1.00 0.00 H new ATOM 0 HA GLN B 135 -7.807 -7.437 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -5.636 -7.971 0.569 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -7.087 -8.953 0.514 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -5.219 -8.491 -1.857 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -5.185 -9.910 -0.830 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -6.007 -9.262 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -7.582 -10.046 -3.996 1.00 0.00 H new ATOM 1444 N LYS B 136 -7.666 -5.986 1.490 1.00 0.00 N ATOM 1445 CA LYS B 136 -8.453 -5.446 2.593 1.00 0.00 C ATOM 1446 C LYS B 136 -9.448 -4.409 2.083 1.00 0.00 C ATOM 1447 O LYS B 136 -10.632 -4.504 2.401 1.00 0.00 O ATOM 1448 CB LYS B 136 -7.510 -5.005 3.733 1.00 0.00 C ATOM 1449 CG LYS B 136 -7.172 -3.514 3.908 1.00 0.00 C ATOM 1450 CD LYS B 136 -5.822 -3.355 4.621 1.00 0.00 C ATOM 1451 CE LYS B 136 -5.767 -3.867 6.056 1.00 0.00 C ATOM 1452 NZ LYS B 136 -5.937 -2.787 7.042 1.00 0.00 N ATOM 0 H LYS B 136 -6.662 -5.842 1.600 1.00 0.00 H new ATOM 0 HA LYS B 136 -9.090 -6.207 3.043 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -7.946 -5.352 4.670 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -6.569 -5.539 3.602 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -7.137 -3.025 2.934 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -7.956 -3.021 4.484 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -5.061 -3.876 4.040 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -5.555 -2.298 4.621 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -6.546 -4.615 6.202 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -4.812 -4.364 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -5.892 -3.184 8.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -5.179 -2.085 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -6.860 -2.329 6.899 1.00 0.00 H new ATOM 1466 N TYR B 137 -9.030 -3.446 1.258 1.00 0.00 N ATOM 1467 CA TYR B 137 -9.953 -2.442 0.745 1.00 0.00 C ATOM 1468 C TYR B 137 -10.907 -3.036 -0.292 1.00 0.00 C ATOM 1469 O TYR B 137 -12.087 -2.690 -0.271 1.00 0.00 O ATOM 1470 CB TYR B 137 -9.197 -1.189 0.288 1.00 0.00 C ATOM 1471 CG TYR B 137 -8.727 -0.350 1.470 1.00 0.00 C ATOM 1472 CD1 TYR B 137 -9.643 0.080 2.449 1.00 0.00 C ATOM 1473 CD2 TYR B 137 -7.367 -0.042 1.630 1.00 0.00 C ATOM 1474 CE1 TYR B 137 -9.194 0.723 3.615 1.00 0.00 C ATOM 1475 CE2 TYR B 137 -6.912 0.662 2.763 1.00 0.00 C ATOM 1476 CZ TYR B 137 -7.822 1.020 3.776 1.00 0.00 C ATOM 1477 OH TYR B 137 -7.401 1.637 4.910 1.00 0.00 O ATOM 0 H TYR B 137 -8.068 -3.344 0.936 1.00 0.00 H new ATOM 0 HA TYR B 137 -10.603 -2.105 1.552 1.00 0.00 H new ATOM 0 HB2 TYR B 137 -8.337 -1.483 -0.314 1.00 0.00 H new ATOM 0 HB3 TYR B 137 -9.843 -0.587 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR B 137 -10.700 -0.086 2.302 1.00 0.00 H new ATOM 0 HD2 TYR B 137 -6.659 -0.349 0.874 1.00 0.00 H new ATOM 0 HE1 TYR B 137 -9.898 0.990 4.389 1.00 0.00 H new ATOM 0 HE2 TYR B 137 -5.869 0.926 2.854 1.00 0.00 H new ATOM 0 HH TYR B 137 -6.423 1.600 4.959 1.00 0.00 H new ATOM 1487 N GLN B 138 -10.463 -3.969 -1.137 1.00 0.00 N ATOM 1488 CA GLN B 138 -11.307 -4.618 -2.142 1.00 0.00 C ATOM 1489 C GLN B 138 -12.443 -5.335 -1.417 1.00 0.00 C ATOM 1490 O GLN B 138 -13.593 -5.210 -1.829 1.00 0.00 O ATOM 1491 CB GLN B 138 -10.495 -5.607 -2.999 1.00 0.00 C ATOM 1492 CG GLN B 138 -11.311 -6.295 -4.109 1.00 0.00 C ATOM 1493 CD GLN B 138 -11.762 -5.325 -5.208 1.00 0.00 C ATOM 1494 OE1 GLN B 138 -11.148 -4.290 -5.462 1.00 0.00 O ATOM 1495 NE2 GLN B 138 -12.849 -5.605 -5.904 1.00 0.00 N ATOM 0 H GLN B 138 -9.498 -4.298 -1.143 1.00 0.00 H new ATOM 0 HA GLN B 138 -11.711 -3.867 -2.821 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -9.659 -5.076 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -10.070 -6.371 -2.348 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.711 -7.088 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.188 -6.769 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -13.373 -6.458 -5.710 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -13.164 -4.968 -6.636 1.00 0.00 H new ATOM 1504 N SER B 139 -12.134 -6.038 -0.323 1.00 0.00 N ATOM 1505 CA SER B 139 -13.107 -6.748 0.495 1.00 0.00 C ATOM 1506 C SER B 139 -14.176 -5.753 0.959 1.00 0.00 C ATOM 1507 O SER B 139 -15.353 -6.079 0.955 1.00 0.00 O ATOM 1508 CB SER B 139 -12.355 -7.427 1.649 1.00 0.00 C ATOM 1509 OG SER B 139 -13.204 -7.913 2.663 1.00 0.00 O ATOM 0 H SER B 139 -11.178 -6.128 0.021 1.00 0.00 H new ATOM 0 HA SER B 139 -13.625 -7.530 -0.059 1.00 0.00 H new ATOM 0 HB2 SER B 139 -11.766 -8.254 1.252 1.00 0.00 H new ATOM 0 HB3 SER B 139 -11.653 -6.715 2.084 1.00 0.00 H new ATOM 0 HG SER B 139 -12.666 -8.334 3.366 1.00 0.00 H new ATOM 1515 N LYS B 140 -13.798 -4.517 1.311 1.00 0.00 N ATOM 1516 CA LYS B 140 -14.750 -3.490 1.743 1.00 0.00 C ATOM 1517 C LYS B 140 -15.536 -2.950 0.543 1.00 0.00 C ATOM 1518 O LYS B 140 -16.695 -2.566 0.706 1.00 0.00 O ATOM 1519 CB LYS B 140 -14.017 -2.342 2.460 1.00 0.00 C ATOM 1520 CG LYS B 140 -13.290 -2.808 3.730 1.00 0.00 C ATOM 1521 CD LYS B 140 -12.428 -1.689 4.342 1.00 0.00 C ATOM 1522 CE LYS B 140 -11.072 -2.220 4.838 1.00 0.00 C ATOM 1523 NZ LYS B 140 -11.172 -2.861 6.158 1.00 0.00 N ATOM 0 H LYS B 140 -12.827 -4.204 1.304 1.00 0.00 H new ATOM 0 HA LYS B 140 -15.451 -3.944 2.443 1.00 0.00 H new ATOM 0 HB2 LYS B 140 -13.296 -1.893 1.777 1.00 0.00 H new ATOM 0 HB3 LYS B 140 -14.735 -1.564 2.721 1.00 0.00 H new ATOM 0 HG2 LYS B 140 -14.022 -3.145 4.464 1.00 0.00 H new ATOM 0 HG3 LYS B 140 -12.658 -3.664 3.493 1.00 0.00 H new ATOM 0 HD2 LYS B 140 -12.263 -0.909 3.599 1.00 0.00 H new ATOM 0 HD3 LYS B 140 -12.964 -1.230 5.172 1.00 0.00 H new ATOM 0 HE2 LYS B 140 -10.680 -2.937 4.117 1.00 0.00 H new ATOM 0 HE3 LYS B 140 -10.359 -1.397 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 140 -10.234 -3.203 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 140 -11.521 -2.171 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 140 -11.832 -3.663 6.105 1.00 0.00 H new ATOM 1537 N ARG B 141 -14.929 -2.888 -0.650 1.00 0.00 N ATOM 1538 CA ARG B 141 -15.530 -2.404 -1.897 1.00 0.00 C ATOM 1539 C ARG B 141 -16.560 -3.386 -2.446 1.00 0.00 C ATOM 1540 O ARG B 141 -17.575 -2.945 -2.974 1.00 0.00 O ATOM 1541 CB ARG B 141 -14.424 -2.146 -2.942 1.00 0.00 C ATOM 1542 CG ARG B 141 -14.916 -1.331 -4.156 1.00 0.00 C ATOM 1543 CD ARG B 141 -13.859 -1.130 -5.259 1.00 0.00 C ATOM 1544 NE ARG B 141 -12.935 -0.004 -4.999 1.00 0.00 N ATOM 1545 CZ ARG B 141 -12.643 1.020 -5.826 1.00 0.00 C ATOM 1546 NH1 ARG B 141 -13.202 1.114 -7.025 1.00 0.00 N ATOM 1547 NH2 ARG B 141 -11.785 1.969 -5.455 1.00 0.00 N ATOM 0 H ARG B 141 -13.962 -3.188 -0.776 1.00 0.00 H new ATOM 0 HA ARG B 141 -16.052 -1.472 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG B 141 -13.599 -1.615 -2.466 1.00 0.00 H new ATOM 0 HB3 ARG B 141 -14.030 -3.101 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG B 141 -15.783 -1.832 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG B 141 -15.252 -0.354 -3.810 1.00 0.00 H new ATOM 0 HD2 ARG B 141 -13.279 -2.047 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG B 141 -14.366 -0.961 -6.209 1.00 0.00 H new ATOM 0 HE ARG B 141 -12.467 -0.002 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG B 141 -13.865 0.404 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG B 141 -12.969 1.896 -7.637 1.00 0.00 H new ATOM 0 HH21 ARG B 141 -11.342 1.925 -4.537 1.00 0.00 H new ATOM 0 HH22 ARG B 141 -11.571 2.739 -6.089 1.00 0.00 H new ATOM 1561 N GLN B 142 -16.342 -4.689 -2.310 1.00 0.00 N ATOM 1562 CA GLN B 142 -17.264 -5.701 -2.814 1.00 0.00 C ATOM 1563 C GLN B 142 -18.706 -5.535 -2.270 1.00 0.00 C ATOM 1564 O GLN B 142 -19.609 -5.396 -3.087 1.00 0.00 O ATOM 1565 CB GLN B 142 -16.653 -7.105 -2.675 1.00 0.00 C ATOM 1566 CG GLN B 142 -17.010 -7.997 -3.878 1.00 0.00 C ATOM 1567 CD GLN B 142 -18.508 -8.214 -4.125 1.00 0.00 C ATOM 1568 OE1 GLN B 142 -19.188 -8.929 -3.391 1.00 0.00 O ATOM 1569 NE2 GLN B 142 -19.060 -7.612 -5.162 1.00 0.00 N ATOM 0 H GLN B 142 -15.519 -5.075 -1.846 1.00 0.00 H new ATOM 0 HA GLN B 142 -17.399 -5.548 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN B 142 -15.569 -7.025 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN B 142 -17.012 -7.570 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN B 142 -16.573 -7.558 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN B 142 -16.539 -8.970 -3.738 1.00 0.00 H new ATOM 0 HE21 GLN B 142 -18.493 -7.020 -5.769 1.00 0.00 H new ATOM 0 HE22 GLN B 142 -20.053 -7.739 -5.356 1.00 0.00 H new ATOM 1578 N PRO B 143 -18.997 -5.471 -0.957 1.00 0.00 N ATOM 1579 CA PRO B 143 -20.369 -5.290 -0.481 1.00 0.00 C ATOM 1580 C PRO B 143 -20.925 -3.917 -0.888 1.00 0.00 C ATOM 1581 O PRO B 143 -22.140 -3.742 -0.929 1.00 0.00 O ATOM 1582 CB PRO B 143 -20.318 -5.434 1.042 1.00 0.00 C ATOM 1583 CG PRO B 143 -18.877 -5.066 1.362 1.00 0.00 C ATOM 1584 CD PRO B 143 -18.104 -5.604 0.166 1.00 0.00 C ATOM 0 HA PRO B 143 -21.035 -6.030 -0.924 1.00 0.00 H new ATOM 0 HB2 PRO B 143 -21.026 -4.768 1.536 1.00 0.00 H new ATOM 0 HB3 PRO B 143 -20.558 -6.448 1.362 1.00 0.00 H new ATOM 0 HG2 PRO B 143 -18.752 -3.989 1.470 1.00 0.00 H new ATOM 0 HG3 PRO B 143 -18.543 -5.521 2.294 1.00 0.00 H new ATOM 0 HD2 PRO B 143 -17.185 -5.040 0.006 1.00 0.00 H new ATOM 0 HD3 PRO B 143 -17.817 -6.644 0.319 1.00 0.00 H new ATOM 1592 N ILE B 144 -20.060 -2.925 -1.142 1.00 0.00 N ATOM 1593 CA ILE B 144 -20.470 -1.590 -1.549 1.00 0.00 C ATOM 1594 C ILE B 144 -21.020 -1.657 -2.979 1.00 0.00 C ATOM 1595 O ILE B 144 -22.144 -1.214 -3.218 1.00 0.00 O ATOM 1596 CB ILE B 144 -19.283 -0.603 -1.419 1.00 0.00 C ATOM 1597 CG1 ILE B 144 -18.974 -0.220 0.043 1.00 0.00 C ATOM 1598 CG2 ILE B 144 -19.568 0.660 -2.221 1.00 0.00 C ATOM 1599 CD1 ILE B 144 -17.612 0.485 0.207 1.00 0.00 C ATOM 0 H ILE B 144 -19.049 -3.036 -1.068 1.00 0.00 H new ATOM 0 HA ILE B 144 -21.260 -1.218 -0.897 1.00 0.00 H new ATOM 0 HB ILE B 144 -18.405 -1.116 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -19.762 0.434 0.416 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -18.988 -1.119 0.659 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -18.729 1.349 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -19.706 0.401 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -20.473 1.135 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -17.453 0.729 1.257 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -16.816 -0.176 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -17.603 1.401 -0.384 1.00 0.00 H new ATOM 1611 N LEU B 145 -20.237 -2.207 -3.912 1.00 0.00 N ATOM 1612 CA LEU B 145 -20.623 -2.327 -5.316 1.00 0.00 C ATOM 1613 C LEU B 145 -21.850 -3.219 -5.444 1.00 0.00 C ATOM 1614 O LEU B 145 -22.768 -2.918 -6.202 1.00 0.00 O ATOM 1615 CB LEU B 145 -19.440 -2.751 -6.213 1.00 0.00 C ATOM 1616 CG LEU B 145 -18.928 -4.189 -6.109 1.00 0.00 C ATOM 1617 CD1 LEU B 145 -19.827 -5.192 -6.844 1.00 0.00 C ATOM 1618 CD2 LEU B 145 -17.480 -4.312 -6.604 1.00 0.00 C ATOM 0 H LEU B 145 -19.311 -2.584 -3.710 1.00 0.00 H new ATOM 0 HA LEU B 145 -20.907 -1.343 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -19.729 -2.576 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -18.605 -2.085 -5.998 1.00 0.00 H new ATOM 0 HG LEU B 145 -18.956 -4.440 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU B 145 -19.416 -6.196 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -20.829 -5.163 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -19.875 -4.931 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -17.152 -5.348 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -17.425 -4.003 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -16.834 -3.673 -6.002 1.00 0.00 H new ATOM 1630 N ASP B 146 -21.889 -4.269 -4.628 1.00 0.00 N ATOM 1631 CA ASP B 146 -22.972 -5.240 -4.605 1.00 0.00 C ATOM 1632 C ASP B 146 -24.291 -4.598 -4.172 1.00 0.00 C ATOM 1633 O ASP B 146 -25.353 -4.985 -4.656 1.00 0.00 O ATOM 1634 CB ASP B 146 -22.550 -6.364 -3.654 1.00 0.00 C ATOM 1635 CG ASP B 146 -23.706 -7.248 -3.219 1.00 0.00 C ATOM 1636 OD1 ASP B 146 -24.370 -6.892 -2.230 1.00 0.00 O ATOM 1637 OD2 ASP B 146 -23.895 -8.332 -3.818 1.00 0.00 O ATOM 0 H ASP B 146 -21.152 -4.470 -3.952 1.00 0.00 H new ATOM 0 HA ASP B 146 -23.149 -5.638 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -21.795 -6.980 -4.143 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -22.083 -5.927 -2.771 1.00 0.00 H new ATOM 1642 N ALA B 147 -24.226 -3.608 -3.282 1.00 0.00 N ATOM 1643 CA ALA B 147 -25.377 -2.895 -2.763 1.00 0.00 C ATOM 1644 C ALA B 147 -25.943 -1.892 -3.771 1.00 0.00 C ATOM 1645 O ALA B 147 -27.154 -1.865 -3.976 1.00 0.00 O ATOM 1646 CB ALA B 147 -24.961 -2.177 -1.481 1.00 0.00 C ATOM 0 H ALA B 147 -23.342 -3.276 -2.896 1.00 0.00 H new ATOM 0 HA ALA B 147 -26.169 -3.616 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA B 147 -25.814 -1.634 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA B 147 -24.615 -2.908 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA B 147 -24.156 -1.476 -1.702 1.00 0.00 H new ATOM 1652 N ILE B 148 -25.108 -1.040 -4.377 1.00 0.00 N ATOM 1653 CA ILE B 148 -25.589 -0.051 -5.344 1.00 0.00 C ATOM 1654 C ILE B 148 -26.107 -0.707 -6.616 1.00 0.00 C ATOM 1655 O ILE B 148 -27.073 -0.222 -7.200 1.00 0.00 O ATOM 1656 CB ILE B 148 -24.502 0.994 -5.659 1.00 0.00 C ATOM 1657 CG1 ILE B 148 -25.045 2.099 -6.584 1.00 0.00 C ATOM 1658 CG2 ILE B 148 -23.216 0.383 -6.232 1.00 0.00 C ATOM 1659 CD1 ILE B 148 -24.240 3.393 -6.477 1.00 0.00 C ATOM 0 H ILE B 148 -24.101 -1.016 -4.215 1.00 0.00 H new ATOM 0 HA ILE B 148 -26.430 0.468 -4.884 1.00 0.00 H new ATOM 0 HB ILE B 148 -24.228 1.440 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE B 148 -25.027 1.747 -7.616 1.00 0.00 H new ATOM 0 HG13 ILE B 148 -26.087 2.300 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE B 148 -22.494 1.175 -6.431 1.00 0.00 H new ATOM 0 HG22 ILE B 148 -22.795 -0.320 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE B 148 -23.444 -0.141 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE B 148 -24.662 4.141 -7.148 1.00 0.00 H new ATOM 0 HD12 ILE B 148 -24.279 3.762 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE B 148 -23.204 3.201 -6.754 1.00 0.00 H new ATOM 1671 N GLU B 149 -25.489 -1.802 -7.052 1.00 0.00 N ATOM 1672 CA GLU B 149 -25.921 -2.470 -8.270 1.00 0.00 C ATOM 1673 C GLU B 149 -27.289 -3.130 -8.073 1.00 0.00 C ATOM 1674 O GLU B 149 -27.967 -3.402 -9.062 1.00 0.00 O ATOM 1675 CB GLU B 149 -24.845 -3.454 -8.764 1.00 0.00 C ATOM 1676 CG GLU B 149 -23.656 -2.670 -9.354 1.00 0.00 C ATOM 1677 CD GLU B 149 -22.474 -3.517 -9.840 1.00 0.00 C ATOM 1678 OE1 GLU B 149 -22.516 -4.768 -9.836 1.00 0.00 O ATOM 1679 OE2 GLU B 149 -21.482 -2.903 -10.322 1.00 0.00 O ATOM 0 H GLU B 149 -24.696 -2.240 -6.583 1.00 0.00 H new ATOM 0 HA GLU B 149 -26.046 -1.725 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU B 149 -24.506 -4.081 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU B 149 -25.265 -4.119 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU B 149 -24.018 -2.072 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU B 149 -23.293 -1.974 -8.598 1.00 0.00 H new ATOM 1686 N ALA B 150 -27.711 -3.362 -6.825 1.00 0.00 N ATOM 1687 CA ALA B 150 -28.988 -3.975 -6.475 1.00 0.00 C ATOM 1688 C ALA B 150 -30.189 -3.029 -6.639 1.00 0.00 C ATOM 1689 O ALA B 150 -31.322 -3.463 -6.427 1.00 0.00 O ATOM 1690 CB ALA B 150 -28.924 -4.469 -5.025 1.00 0.00 C ATOM 0 H ALA B 150 -27.152 -3.119 -6.008 1.00 0.00 H new ATOM 0 HA ALA B 150 -29.145 -4.801 -7.169 1.00 0.00 H new ATOM 0 HB1 ALA B 150 -29.875 -4.929 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA B 150 -28.125 -5.203 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA B 150 -28.727 -3.627 -4.362 1.00 0.00 H new ATOM 1696 N LYS B 151 -29.983 -1.748 -6.964 1.00 0.00 N ATOM 1697 CA LYS B 151 -31.044 -0.762 -7.143 1.00 0.00 C ATOM 1698 C LYS B 151 -30.850 -0.004 -8.442 1.00 0.00 C ATOM 1699 O LYS B 151 -31.717 0.841 -8.729 1.00 0.00 O ATOM 1700 CB LYS B 151 -31.142 0.145 -5.897 1.00 0.00 C ATOM 1701 CG LYS B 151 -29.851 0.851 -5.445 1.00 0.00 C ATOM 1702 CD LYS B 151 -29.276 1.942 -6.357 1.00 0.00 C ATOM 1703 CE LYS B 151 -30.140 3.201 -6.519 1.00 0.00 C ATOM 1704 NZ LYS B 151 -31.127 3.104 -7.612 1.00 0.00 N ATOM 0 H LYS B 151 -29.050 -1.363 -7.112 1.00 0.00 H new ATOM 0 HA LYS B 151 -32.008 -1.263 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS B 151 -31.895 0.908 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS B 151 -31.507 -0.459 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS B 151 -30.037 1.295 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS B 151 -29.083 0.090 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS B 151 -28.303 2.240 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS B 151 -29.106 1.512 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS B 151 -30.665 3.394 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS B 151 -29.490 4.056 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 151 -31.834 3.860 -7.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 151 -30.643 3.205 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 151 -31.601 2.179 -7.571 1.00 0.00 H new TER 1718 LYS B 151