USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 743 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 69 CYS SG : rot 180:sc= 0.86 USER MOD Set 1.2: A 105 CYS SG : rot 73:sc= 1.23 USER MOD Set 2.1: A 59 SER OG : rot -35:sc= 0.11 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -166:sc= 0.363 (180deg=-0.117) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.00139 USER MOD Set 3.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 20 CYS SG : rot -81:sc= 0.0242 USER MOD Set 4.2: A 21 ASN : amide:sc= 1.13 K(o=1.2,f=-0.04) USER MOD Set 5.1: A 12 CYS SG : rot 81:sc= -3.35! USER MOD Set 5.2: A 50 CYS SG : rot -65:sc= -3.33! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.6) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.21) USER MOD Single : A 14 GLN : amide:sc= -0.605 K(o=-0.61,f=-0.034) USER MOD Single : A 17 LYS NZ :NH3+ 130:sc= 0.194 (180deg=-1.05) USER MOD Single : A 19 SER OG : rot 73:sc= 0.347 USER MOD Single : A 22 SER OG : rot 6:sc= 0.618 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0319 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -152:sc= -0.12 USER MOD Single : A 36 TYR OH : rot -105:sc= 0.0664 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.598 K(o=0.6,f=-7.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -35:sc= 0.0808 USER MOD Single : A 43 GLN : amide:sc= -4.45! C(o=-4.5!,f=-12!) USER MOD Single : A 44 GLN : amide:sc= -0.888 K(o=-0.89,f=0) USER MOD Single : A 45 THR OG1 : rot 15:sc= 1.09 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 0.886 (180deg=0.577) USER MOD Single : A 51 TYR OH : rot 165:sc= -3.21! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 65 CYS SG : rot 70:sc= -0.416! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -159:sc= -0.228 (180deg=-0.827) USER MOD Single : A 73 THR OG1 : rot 158:sc= 0.794 USER MOD Single : A 74 SER OG : rot -96:sc= 1.23 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -91:sc= 0.985 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 155:sc= -0.293 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -1.94! C(o=-1.9!,f=-4.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.38! X(o=-2.4!,f=-2) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.0678 K(o=0.068,f=-0.47) USER MOD Single : A 104 TYR OH : rot -177:sc= 0.0453 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.918 12.164 -6.835 1.00 0.54 N ATOM 2 CA ALA A 1 -2.630 10.902 -6.535 1.00 0.39 C ATOM 3 C ALA A 1 -4.126 11.128 -6.463 1.00 0.35 C ATOM 4 O ALA A 1 -4.597 12.092 -5.871 1.00 0.37 O ATOM 5 CB ALA A 1 -2.129 10.293 -5.238 1.00 0.28 C ATOM 0 H1 ALA A 1 -0.895 11.983 -6.879 1.00 0.54 H new ATOM 0 H2 ALA A 1 -2.243 12.537 -7.750 1.00 0.54 H new ATOM 0 H3 ALA A 1 -2.115 12.860 -6.087 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.425 10.204 -7.347 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.668 9.366 -5.039 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.063 10.082 -5.323 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.296 10.993 -4.419 1.00 0.28 H new ATOM 13 N PRO A 2 -4.882 10.237 -7.109 1.00 0.34 N ATOM 14 CA PRO A 2 -6.340 10.302 -7.180 1.00 0.34 C ATOM 15 C PRO A 2 -7.026 9.840 -5.915 1.00 0.28 C ATOM 16 O PRO A 2 -8.104 10.328 -5.572 1.00 0.28 O ATOM 17 CB PRO A 2 -6.689 9.334 -8.303 1.00 0.39 C ATOM 18 CG PRO A 2 -5.391 9.016 -8.963 1.00 0.45 C ATOM 19 CD PRO A 2 -4.377 9.104 -7.875 1.00 0.39 C ATOM 0 HA PRO A 2 -6.668 11.330 -7.335 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.163 8.433 -7.913 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.389 9.784 -9.007 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.407 8.021 -9.408 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.172 9.721 -9.765 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.332 8.192 -7.280 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.373 9.283 -8.261 1.00 0.39 H new ATOM 27 N THR A 3 -6.426 8.871 -5.242 1.00 0.27 N ATOM 28 CA THR A 3 -7.019 8.316 -4.044 1.00 0.24 C ATOM 29 C THR A 3 -6.008 8.266 -2.910 1.00 0.19 C ATOM 30 O THR A 3 -4.810 8.461 -3.137 1.00 0.19 O ATOM 31 CB THR A 3 -7.587 6.914 -4.302 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.534 6.031 -4.703 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.657 6.960 -5.385 1.00 0.37 C ATOM 0 H THR A 3 -5.532 8.456 -5.507 1.00 0.27 H new ATOM 0 HA THR A 3 -7.840 8.972 -3.753 1.00 0.24 H new ATOM 0 HB THR A 3 -8.039 6.548 -3.380 1.00 0.31 H new ATOM 0 HG1 THR A 3 -6.901 5.137 -4.865 1.00 0.34 H new ATOM 0 HG21 THR A 3 -9.047 5.956 -5.554 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.468 7.616 -5.068 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.223 7.340 -6.310 1.00 0.37 H new ATOM 41 N LEU A 4 -6.475 8.014 -1.699 1.00 0.16 N ATOM 42 CA LEU A 4 -5.613 8.099 -0.532 1.00 0.15 C ATOM 43 C LEU A 4 -4.491 7.061 -0.583 1.00 0.18 C ATOM 44 O LEU A 4 -3.340 7.363 -0.257 1.00 0.24 O ATOM 45 CB LEU A 4 -6.438 7.968 0.751 1.00 0.13 C ATOM 46 CG LEU A 4 -5.634 7.999 2.043 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.021 9.375 2.216 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.510 7.644 3.232 1.00 0.15 C ATOM 0 H LEU A 4 -7.440 7.751 -1.498 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.138 9.080 -0.534 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.170 8.775 0.778 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -6.996 7.033 0.711 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.838 7.257 1.988 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.444 9.403 3.140 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.365 9.590 1.372 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.813 10.123 2.260 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -5.914 7.673 4.144 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.327 8.362 3.309 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -6.919 6.643 3.097 1.00 0.15 H new ATOM 60 N GLN A 5 -4.799 5.853 -1.036 1.00 0.17 N ATOM 61 CA GLN A 5 -3.782 4.815 -1.123 1.00 0.22 C ATOM 62 C GLN A 5 -2.769 5.140 -2.217 1.00 0.22 C ATOM 63 O GLN A 5 -1.616 4.725 -2.148 1.00 0.25 O ATOM 64 CB GLN A 5 -4.398 3.452 -1.400 1.00 0.29 C ATOM 65 CG GLN A 5 -3.444 2.309 -1.091 1.00 0.55 C ATOM 66 CD GLN A 5 -3.674 1.079 -1.946 1.00 0.67 C ATOM 67 OE1 GLN A 5 -4.789 0.804 -2.387 1.00 1.58 O ATOM 68 NE2 GLN A 5 -2.607 0.324 -2.175 1.00 0.73 N ATOM 0 H GLN A 5 -5.729 5.571 -1.344 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.276 4.781 -0.158 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.303 3.338 -0.803 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -4.698 3.398 -2.447 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -2.420 2.653 -1.233 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -3.546 2.036 -0.041 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.701 0.591 -1.789 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -2.693 -0.523 -2.737 1.00 0.73 H new ATOM 77 N GLU A 6 -3.193 5.883 -3.230 1.00 0.23 N ATOM 78 CA GLU A 6 -2.276 6.291 -4.284 1.00 0.24 C ATOM 79 C GLU A 6 -1.356 7.380 -3.755 1.00 0.23 C ATOM 80 O GLU A 6 -0.260 7.592 -4.269 1.00 0.24 O ATOM 81 CB GLU A 6 -3.023 6.792 -5.511 1.00 0.30 C ATOM 82 CG GLU A 6 -2.180 6.781 -6.776 1.00 0.34 C ATOM 83 CD GLU A 6 -1.987 5.391 -7.346 1.00 0.95 C ATOM 84 OE1 GLU A 6 -2.663 4.456 -6.872 1.00 1.11 O ATOM 85 OE2 GLU A 6 -1.141 5.220 -8.248 1.00 1.70 O ATOM 0 H GLU A 6 -4.152 6.211 -3.344 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.690 5.423 -4.585 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.907 6.174 -5.667 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.373 7.807 -5.325 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -2.653 7.413 -7.527 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -1.205 7.218 -6.560 1.00 0.34 H new ATOM 92 N ALA A 7 -1.818 8.074 -2.721 1.00 0.22 N ATOM 93 CA ALA A 7 -0.987 9.042 -2.022 1.00 0.22 C ATOM 94 C ALA A 7 0.026 8.295 -1.177 1.00 0.19 C ATOM 95 O ALA A 7 1.132 8.771 -0.931 1.00 0.19 O ATOM 96 CB ALA A 7 -1.841 9.971 -1.171 1.00 0.24 C ATOM 0 H ALA A 7 -2.764 7.983 -2.350 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.460 9.665 -2.745 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.199 10.687 -0.657 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.543 10.507 -1.810 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.393 9.386 -0.436 1.00 0.24 H new ATOM 102 N LEU A 8 -0.360 7.102 -0.755 1.00 0.17 N ATOM 103 CA LEU A 8 0.561 6.193 -0.105 1.00 0.15 C ATOM 104 C LEU A 8 1.603 5.709 -1.093 1.00 0.15 C ATOM 105 O LEU A 8 2.787 5.700 -0.800 1.00 0.16 O ATOM 106 CB LEU A 8 -0.159 4.996 0.461 1.00 0.15 C ATOM 107 CG LEU A 8 -1.073 5.269 1.629 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.354 3.978 2.354 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.462 6.275 2.572 1.00 0.12 C ATOM 0 H LEU A 8 -1.309 6.742 -0.853 1.00 0.17 H new ATOM 0 HA LEU A 8 1.039 6.738 0.709 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.746 4.539 -0.336 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.585 4.262 0.770 1.00 0.15 H new ATOM 0 HG LEU A 8 -2.006 5.688 1.254 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -2.015 4.172 3.199 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.833 3.275 1.673 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.418 3.552 2.715 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.142 6.453 3.405 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.484 5.889 2.952 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.285 7.211 2.041 1.00 0.12 H new ATOM 121 N ASP A 9 1.128 5.286 -2.256 1.00 0.15 N ATOM 122 CA ASP A 9 1.974 4.910 -3.389 1.00 0.15 C ATOM 123 C ASP A 9 2.956 6.038 -3.705 1.00 0.15 C ATOM 124 O ASP A 9 4.097 5.810 -4.091 1.00 0.15 O ATOM 125 CB ASP A 9 1.053 4.652 -4.594 1.00 0.20 C ATOM 126 CG ASP A 9 1.782 4.348 -5.885 1.00 0.97 C ATOM 127 OD1 ASP A 9 2.329 5.290 -6.507 1.00 1.61 O ATOM 128 OD2 ASP A 9 1.762 3.177 -6.311 1.00 1.34 O ATOM 0 H ASP A 9 0.130 5.192 -2.446 1.00 0.15 H new ATOM 0 HA ASP A 9 2.552 4.016 -3.156 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.393 3.817 -4.359 1.00 0.20 H new ATOM 0 HB3 ASP A 9 0.420 5.526 -4.746 1.00 0.20 H new ATOM 133 N ARG A 10 2.494 7.256 -3.480 1.00 0.17 N ATOM 134 CA ARG A 10 3.250 8.462 -3.774 1.00 0.20 C ATOM 135 C ARG A 10 4.272 8.716 -2.674 1.00 0.19 C ATOM 136 O ARG A 10 5.357 9.238 -2.914 1.00 0.24 O ATOM 137 CB ARG A 10 2.253 9.609 -3.881 1.00 0.25 C ATOM 138 CG ARG A 10 2.622 10.679 -4.871 1.00 0.67 C ATOM 139 CD ARG A 10 1.377 11.139 -5.592 1.00 0.64 C ATOM 140 NE ARG A 10 1.652 12.110 -6.646 1.00 1.02 N ATOM 141 CZ ARG A 10 1.860 11.787 -7.923 1.00 1.80 C ATOM 142 NH1 ARG A 10 1.954 10.511 -8.283 1.00 2.60 N ATOM 143 NH2 ARG A 10 1.990 12.743 -8.832 1.00 2.10 N ATOM 0 H ARG A 10 1.572 7.438 -3.083 1.00 0.17 H new ATOM 0 HA ARG A 10 3.801 8.364 -4.709 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.280 9.201 -4.155 1.00 0.25 H new ATOM 0 HB3 ARG A 10 2.141 10.067 -2.898 1.00 0.25 H new ATOM 0 HG2 ARG A 10 3.091 11.519 -4.359 1.00 0.67 H new ATOM 0 HG3 ARG A 10 3.350 10.295 -5.586 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.875 10.274 -6.025 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.689 11.580 -4.871 1.00 0.64 H new ATOM 0 HE ARG A 10 1.687 13.097 -6.390 1.00 1.02 H new ATOM 0 HH11 ARG A 10 1.867 9.775 -7.582 1.00 2.60 H new ATOM 0 HH12 ARG A 10 2.113 10.267 -9.261 1.00 2.60 H new ATOM 0 HH21 ARG A 10 1.931 13.723 -8.554 1.00 2.10 H new ATOM 0 HH22 ARG A 10 2.149 12.499 -9.810 1.00 2.10 H new ATOM 157 N LYS A 11 3.910 8.321 -1.466 1.00 0.18 N ATOM 158 CA LYS A 11 4.813 8.339 -0.333 1.00 0.21 C ATOM 159 C LYS A 11 5.851 7.240 -0.529 1.00 0.18 C ATOM 160 O LYS A 11 7.047 7.430 -0.316 1.00 0.18 O ATOM 161 CB LYS A 11 4.004 8.118 0.940 1.00 0.26 C ATOM 162 CG LYS A 11 4.816 8.182 2.211 1.00 0.42 C ATOM 163 CD LYS A 11 5.704 9.405 2.262 1.00 0.52 C ATOM 164 CE LYS A 11 4.930 10.691 2.430 1.00 0.59 C ATOM 165 NZ LYS A 11 5.787 11.781 2.965 1.00 0.99 N ATOM 0 H LYS A 11 2.976 7.977 -1.244 1.00 0.18 H new ATOM 0 HA LYS A 11 5.328 9.296 -0.251 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.214 8.867 0.989 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.517 7.145 0.883 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.144 8.187 3.069 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.431 7.285 2.293 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.409 9.301 3.087 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.292 9.459 1.346 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.514 10.994 1.469 1.00 0.59 H new ATOM 0 HE3 LYS A 11 4.089 10.525 3.104 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 5.187 12.522 3.381 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 6.421 11.398 3.695 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 6.354 12.188 2.193 1.00 0.99 H new ATOM 179 N CYS A 12 5.350 6.104 -0.976 1.00 0.16 N ATOM 180 CA CYS A 12 6.151 4.947 -1.346 1.00 0.14 C ATOM 181 C CYS A 12 7.161 5.283 -2.435 1.00 0.14 C ATOM 182 O CYS A 12 8.299 4.816 -2.399 1.00 0.14 O ATOM 183 CB CYS A 12 5.207 3.833 -1.802 1.00 0.13 C ATOM 184 SG CYS A 12 4.212 3.151 -0.462 1.00 0.15 S ATOM 0 H CYS A 12 4.348 5.954 -1.096 1.00 0.16 H new ATOM 0 HA CYS A 12 6.726 4.619 -0.480 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.545 4.221 -2.576 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.792 3.033 -2.255 1.00 0.13 H new ATOM 0 HG CYS A 12 3.199 3.933 -0.232 1.00 0.15 H new ATOM 190 N ALA A 13 6.751 6.106 -3.384 1.00 0.17 N ATOM 191 CA ALA A 13 7.617 6.498 -4.488 1.00 0.20 C ATOM 192 C ALA A 13 8.734 7.405 -3.989 1.00 0.21 C ATOM 193 O ALA A 13 9.821 7.453 -4.559 1.00 0.28 O ATOM 194 CB ALA A 13 6.796 7.195 -5.560 1.00 0.25 C ATOM 0 H ALA A 13 5.819 6.519 -3.414 1.00 0.17 H new ATOM 0 HA ALA A 13 8.073 5.607 -4.919 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.447 7.487 -6.384 1.00 0.25 H new ATOM 0 HB2 ALA A 13 6.027 6.516 -5.928 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.325 8.083 -5.138 1.00 0.25 H new ATOM 200 N GLN A 14 8.459 8.097 -2.897 1.00 0.20 N ATOM 201 CA GLN A 14 9.399 9.033 -2.309 1.00 0.23 C ATOM 202 C GLN A 14 10.490 8.322 -1.531 1.00 0.26 C ATOM 203 O GLN A 14 11.576 8.853 -1.352 1.00 0.43 O ATOM 204 CB GLN A 14 8.647 9.983 -1.403 1.00 0.24 C ATOM 205 CG GLN A 14 7.813 10.970 -2.188 1.00 0.26 C ATOM 206 CD GLN A 14 7.049 11.937 -1.314 1.00 0.32 C ATOM 207 OE1 GLN A 14 7.573 12.969 -0.899 1.00 0.87 O ATOM 208 NE2 GLN A 14 5.790 11.630 -1.062 1.00 1.07 N ATOM 0 H GLN A 14 7.575 8.025 -2.393 1.00 0.20 H new ATOM 0 HA GLN A 14 9.884 9.586 -3.113 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.001 9.413 -0.735 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.356 10.524 -0.776 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.463 11.533 -2.858 1.00 0.26 H new ATOM 0 HG3 GLN A 14 7.108 10.422 -2.814 1.00 0.26 H new ATOM 0 HE21 GLN A 14 5.394 10.763 -1.426 1.00 1.07 H new ATOM 0 HE22 GLN A 14 5.213 12.260 -0.504 1.00 1.07 H new ATOM 217 N PHE A 15 10.181 7.136 -1.049 1.00 0.20 N ATOM 218 CA PHE A 15 11.155 6.329 -0.316 1.00 0.20 C ATOM 219 C PHE A 15 11.772 5.264 -1.209 1.00 0.19 C ATOM 220 O PHE A 15 12.997 5.151 -1.308 1.00 0.24 O ATOM 221 CB PHE A 15 10.499 5.656 0.883 1.00 0.21 C ATOM 222 CG PHE A 15 9.804 6.610 1.791 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.446 7.743 2.261 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.497 6.378 2.160 1.00 0.18 C ATOM 225 CE1 PHE A 15 9.789 8.627 3.088 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.838 7.255 2.979 1.00 0.24 C ATOM 227 CZ PHE A 15 8.479 8.381 3.445 1.00 0.33 C ATOM 0 H PHE A 15 9.263 6.702 -1.148 1.00 0.20 H new ATOM 0 HA PHE A 15 11.942 7.001 0.027 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.782 4.917 0.527 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.259 5.117 1.448 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.470 7.935 1.977 1.00 0.36 H new ATOM 0 HD2 PHE A 15 7.988 5.496 1.800 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.296 9.507 3.455 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.813 7.063 3.260 1.00 0.24 H new ATOM 0 HZ PHE A 15 7.956 9.072 4.090 1.00 0.33 H new ATOM 237 N GLY A 16 10.911 4.475 -1.843 1.00 0.15 N ATOM 238 CA GLY A 16 11.355 3.410 -2.712 1.00 0.15 C ATOM 239 C GLY A 16 12.307 3.904 -3.769 1.00 0.15 C ATOM 240 O GLY A 16 13.465 3.508 -3.814 1.00 0.18 O ATOM 0 H GLY A 16 9.898 4.560 -1.765 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.842 2.637 -2.118 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.491 2.948 -3.190 1.00 0.15 H new ATOM 244 N LYS A 17 11.834 4.808 -4.596 1.00 0.18 N ATOM 245 CA LYS A 17 12.609 5.274 -5.717 1.00 0.23 C ATOM 246 C LYS A 17 13.708 6.220 -5.256 1.00 0.28 C ATOM 247 O LYS A 17 14.660 6.469 -5.979 1.00 0.34 O ATOM 248 CB LYS A 17 11.701 5.948 -6.717 1.00 0.28 C ATOM 249 CG LYS A 17 10.399 5.210 -6.935 1.00 0.28 C ATOM 250 CD LYS A 17 10.611 3.809 -7.488 1.00 0.27 C ATOM 251 CE LYS A 17 9.356 3.317 -8.169 1.00 0.90 C ATOM 252 NZ LYS A 17 8.993 4.165 -9.336 1.00 1.24 N ATOM 0 H LYS A 17 10.912 5.235 -4.511 1.00 0.18 H new ATOM 0 HA LYS A 17 13.087 4.420 -6.197 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.484 6.960 -6.376 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.224 6.038 -7.669 1.00 0.28 H new ATOM 0 HG2 LYS A 17 9.858 5.147 -5.991 1.00 0.28 H new ATOM 0 HG3 LYS A 17 9.773 5.778 -7.623 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.439 3.812 -8.196 1.00 0.27 H new ATOM 0 HD3 LYS A 17 10.885 3.130 -6.681 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.500 2.288 -8.498 1.00 0.90 H new ATOM 0 HE3 LYS A 17 8.533 3.310 -7.454 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 8.820 3.560 -10.164 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 8.132 4.707 -9.117 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 9.772 4.822 -9.543 1.00 1.24 H new ATOM 266 N GLU A 18 13.573 6.752 -4.052 1.00 0.27 N ATOM 267 CA GLU A 18 14.681 7.470 -3.427 1.00 0.34 C ATOM 268 C GLU A 18 15.858 6.519 -3.240 1.00 0.35 C ATOM 269 O GLU A 18 17.016 6.891 -3.430 1.00 0.43 O ATOM 270 CB GLU A 18 14.258 8.075 -2.093 1.00 0.36 C ATOM 271 CG GLU A 18 15.424 8.579 -1.258 1.00 0.53 C ATOM 272 CD GLU A 18 14.990 9.273 0.015 1.00 1.01 C ATOM 273 OE1 GLU A 18 14.768 10.501 -0.019 1.00 1.47 O ATOM 274 OE2 GLU A 18 14.851 8.593 1.052 1.00 1.55 O ATOM 0 H GLU A 18 12.722 6.704 -3.492 1.00 0.27 H new ATOM 0 HA GLU A 18 14.983 8.291 -4.078 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.571 8.901 -2.279 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.709 7.327 -1.522 1.00 0.36 H new ATOM 0 HG2 GLU A 18 16.070 7.739 -1.004 1.00 0.53 H new ATOM 0 HG3 GLU A 18 16.019 9.269 -1.856 1.00 0.53 H new ATOM 281 N SER A 19 15.542 5.282 -2.888 1.00 0.30 N ATOM 282 CA SER A 19 16.536 4.226 -2.820 1.00 0.32 C ATOM 283 C SER A 19 17.047 3.923 -4.222 1.00 0.33 C ATOM 284 O SER A 19 18.236 3.715 -4.434 1.00 0.40 O ATOM 285 CB SER A 19 15.924 2.984 -2.186 1.00 0.29 C ATOM 286 OG SER A 19 15.272 3.308 -0.966 1.00 0.30 O ATOM 0 H SER A 19 14.597 4.985 -2.644 1.00 0.30 H new ATOM 0 HA SER A 19 17.376 4.547 -2.204 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.211 2.532 -2.876 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.702 2.243 -2.002 1.00 0.29 H new ATOM 0 HG SER A 19 14.440 3.789 -1.157 1.00 0.30 H new ATOM 292 N CYS A 20 16.133 3.936 -5.179 1.00 0.30 N ATOM 293 CA CYS A 20 16.473 3.745 -6.581 1.00 0.33 C ATOM 294 C CYS A 20 17.438 4.832 -7.047 1.00 0.39 C ATOM 295 O CYS A 20 18.316 4.591 -7.876 1.00 0.43 O ATOM 296 CB CYS A 20 15.189 3.763 -7.415 1.00 0.32 C ATOM 297 SG CYS A 20 15.128 5.022 -8.715 1.00 1.08 S ATOM 0 H CYS A 20 15.138 4.079 -5.007 1.00 0.30 H new ATOM 0 HA CYS A 20 16.968 2.782 -6.709 1.00 0.33 H new ATOM 0 HB2 CYS A 20 15.060 2.783 -7.875 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.342 3.915 -6.745 1.00 0.32 H new ATOM 0 HG CYS A 20 14.781 6.163 -8.198 1.00 1.08 H new ATOM 303 N ASN A 21 17.274 6.022 -6.483 1.00 0.44 N ATOM 304 CA ASN A 21 18.115 7.164 -6.817 1.00 0.52 C ATOM 305 C ASN A 21 19.487 7.075 -6.155 1.00 0.58 C ATOM 306 O ASN A 21 20.473 7.571 -6.702 1.00 0.69 O ATOM 307 CB ASN A 21 17.427 8.470 -6.426 1.00 0.55 C ATOM 308 CG ASN A 21 16.537 9.015 -7.532 1.00 0.56 C ATOM 309 OD1 ASN A 21 16.973 9.828 -8.349 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.289 8.573 -7.575 1.00 0.58 N ATOM 0 H ASN A 21 16.558 6.222 -5.785 1.00 0.44 H new ATOM 0 HA ASN A 21 18.266 7.149 -7.896 1.00 0.52 H new ATOM 0 HB2 ASN A 21 16.828 8.307 -5.530 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.183 9.213 -6.173 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.655 8.906 -8.301 1.00 0.58 H new ATOM 0 HD22 ASN A 21 14.962 7.900 -6.882 1.00 0.58 H new ATOM 317 N SER A 22 19.558 6.448 -4.985 1.00 0.55 N ATOM 318 CA SER A 22 20.834 6.291 -4.299 1.00 0.63 C ATOM 319 C SER A 22 21.631 5.130 -4.895 1.00 0.63 C ATOM 320 O SER A 22 22.857 5.083 -4.782 1.00 0.76 O ATOM 321 CB SER A 22 20.625 6.097 -2.791 1.00 0.67 C ATOM 322 OG SER A 22 19.680 5.077 -2.521 1.00 1.28 O ATOM 0 H SER A 22 18.758 6.045 -4.498 1.00 0.55 H new ATOM 0 HA SER A 22 21.410 7.205 -4.442 1.00 0.63 H new ATOM 0 HB2 SER A 22 21.576 5.846 -2.321 1.00 0.67 H new ATOM 0 HB3 SER A 22 20.287 7.033 -2.347 1.00 0.67 H new ATOM 0 HG SER A 22 19.420 4.642 -3.360 1.00 1.28 H new ATOM 328 N GLY A 23 20.936 4.200 -5.543 1.00 0.52 N ATOM 329 CA GLY A 23 21.620 3.122 -6.233 1.00 0.57 C ATOM 330 C GLY A 23 20.844 1.820 -6.240 1.00 0.50 C ATOM 331 O GLY A 23 21.247 0.866 -6.905 1.00 0.57 O ATOM 0 H GLY A 23 19.918 4.173 -5.602 1.00 0.52 H new ATOM 0 HA2 GLY A 23 21.814 3.425 -7.262 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.588 2.956 -5.761 1.00 0.57 H new ATOM 335 N LEU A 24 19.734 1.774 -5.511 1.00 0.41 N ATOM 336 CA LEU A 24 18.942 0.557 -5.421 1.00 0.35 C ATOM 337 C LEU A 24 18.333 0.205 -6.760 1.00 0.37 C ATOM 338 O LEU A 24 17.412 0.865 -7.244 1.00 0.53 O ATOM 339 CB LEU A 24 17.855 0.680 -4.356 1.00 0.30 C ATOM 340 CG LEU A 24 18.121 -0.127 -3.085 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.759 -1.585 -3.293 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.581 -0.003 -2.688 1.00 0.48 C ATOM 0 H LEU A 24 19.366 2.561 -4.977 1.00 0.41 H new ATOM 0 HA LEU A 24 19.614 -0.249 -5.127 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.743 1.731 -4.088 1.00 0.30 H new ATOM 0 HB3 LEU A 24 16.906 0.358 -4.784 1.00 0.30 H new ATOM 0 HG LEU A 24 17.499 0.272 -2.284 1.00 0.38 H new ATOM 0 HD11 LEU A 24 17.955 -2.143 -2.377 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.702 -1.665 -3.547 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.359 -1.997 -4.104 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.762 -0.581 -1.782 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.210 -0.383 -3.493 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.820 1.044 -2.504 1.00 0.48 H new ATOM 354 N ALA A 25 18.862 -0.857 -7.330 1.00 0.32 N ATOM 355 CA ALA A 25 18.450 -1.341 -8.634 1.00 0.33 C ATOM 356 C ALA A 25 17.012 -1.801 -8.604 1.00 0.31 C ATOM 357 O ALA A 25 16.290 -1.705 -9.595 1.00 0.41 O ATOM 358 CB ALA A 25 19.336 -2.492 -9.032 1.00 0.37 C ATOM 0 H ALA A 25 19.598 -1.416 -6.898 1.00 0.32 H new ATOM 0 HA ALA A 25 18.538 -0.530 -9.356 1.00 0.33 H new ATOM 0 HB1 ALA A 25 19.033 -2.862 -10.011 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.372 -2.156 -9.075 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.245 -3.292 -8.298 1.00 0.37 H new ATOM 364 N SER A 26 16.627 -2.308 -7.453 1.00 0.25 N ATOM 365 CA SER A 26 15.303 -2.835 -7.224 1.00 0.22 C ATOM 366 C SER A 26 14.206 -1.842 -7.611 1.00 0.19 C ATOM 367 O SER A 26 13.390 -2.124 -8.486 1.00 0.22 O ATOM 368 CB SER A 26 15.199 -3.202 -5.769 1.00 0.24 C ATOM 369 OG SER A 26 16.226 -4.106 -5.402 1.00 1.04 O ATOM 0 H SER A 26 17.237 -2.366 -6.638 1.00 0.25 H new ATOM 0 HA SER A 26 15.154 -3.711 -7.856 1.00 0.22 H new ATOM 0 HB2 SER A 26 15.265 -2.302 -5.157 1.00 0.24 H new ATOM 0 HB3 SER A 26 14.226 -3.651 -5.572 1.00 0.24 H new ATOM 0 HG SER A 26 16.140 -4.330 -4.452 1.00 1.04 H new ATOM 375 N TYR A 27 14.193 -0.674 -6.972 1.00 0.16 N ATOM 376 CA TYR A 27 13.155 0.324 -7.221 1.00 0.16 C ATOM 377 C TYR A 27 13.387 1.041 -8.547 1.00 0.21 C ATOM 378 O TYR A 27 12.500 1.730 -9.046 1.00 0.26 O ATOM 379 CB TYR A 27 13.106 1.341 -6.078 1.00 0.15 C ATOM 380 CG TYR A 27 13.258 0.704 -4.718 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.185 0.062 -4.120 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.478 0.714 -4.049 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.314 -0.549 -2.892 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.614 0.093 -2.824 1.00 0.22 C ATOM 385 CZ TYR A 27 13.535 -0.535 -2.248 1.00 0.21 C ATOM 386 OH TYR A 27 13.679 -1.155 -1.029 1.00 0.27 O ATOM 0 H TYR A 27 14.888 -0.396 -6.279 1.00 0.16 H new ATOM 0 HA TYR A 27 12.199 -0.196 -7.276 1.00 0.16 H new ATOM 0 HB2 TYR A 27 13.897 2.077 -6.219 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.159 1.879 -6.118 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.231 0.040 -4.626 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.327 1.213 -4.493 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.465 -1.036 -2.436 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.568 0.100 -2.318 1.00 0.22 H new ATOM 0 HH TYR A 27 14.602 -1.051 -0.716 1.00 0.27 H new ATOM 396 N CYS A 28 14.577 0.873 -9.111 1.00 0.25 N ATOM 397 CA CYS A 28 14.918 1.511 -10.371 1.00 0.31 C ATOM 398 C CYS A 28 14.123 0.884 -11.513 1.00 0.41 C ATOM 399 O CYS A 28 14.389 -0.248 -11.925 1.00 0.48 O ATOM 400 CB CYS A 28 16.422 1.393 -10.631 1.00 0.35 C ATOM 401 SG CYS A 28 16.986 2.201 -12.146 1.00 0.81 S ATOM 0 H CYS A 28 15.321 0.299 -8.713 1.00 0.25 H new ATOM 0 HA CYS A 28 14.659 2.568 -10.313 1.00 0.31 H new ATOM 0 HB2 CYS A 28 16.959 1.821 -9.784 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.688 0.337 -10.677 1.00 0.35 H new ATOM 0 HG CYS A 28 18.270 2.043 -12.270 1.00 0.81 H new ATOM 407 N GLY A 29 13.137 1.621 -12.008 1.00 0.50 N ATOM 408 CA GLY A 29 12.274 1.108 -13.055 1.00 0.65 C ATOM 409 C GLY A 29 11.110 0.311 -12.499 1.00 0.57 C ATOM 410 O GLY A 29 10.276 -0.200 -13.249 1.00 0.74 O ATOM 0 H GLY A 29 12.919 2.569 -11.702 1.00 0.50 H new ATOM 0 HA2 GLY A 29 11.893 1.939 -13.649 1.00 0.65 H new ATOM 0 HA3 GLY A 29 12.856 0.477 -13.727 1.00 0.65 H new ATOM 414 N ALA A 30 11.048 0.221 -11.180 1.00 0.43 N ATOM 415 CA ALA A 30 10.021 -0.562 -10.507 1.00 0.35 C ATOM 416 C ALA A 30 8.791 0.281 -10.222 1.00 0.30 C ATOM 417 O ALA A 30 8.830 1.500 -10.311 1.00 0.41 O ATOM 418 CB ALA A 30 10.557 -1.143 -9.211 1.00 0.33 C ATOM 0 H ALA A 30 11.702 0.684 -10.549 1.00 0.43 H new ATOM 0 HA ALA A 30 9.736 -1.377 -11.172 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.775 -1.725 -8.722 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.409 -1.788 -9.426 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.872 -0.334 -8.552 1.00 0.33 H new ATOM 424 N ALA A 31 7.700 -0.386 -9.905 1.00 0.24 N ATOM 425 CA ALA A 31 6.472 0.267 -9.490 1.00 0.19 C ATOM 426 C ALA A 31 6.276 0.045 -8.007 1.00 0.18 C ATOM 427 O ALA A 31 6.029 -1.072 -7.597 1.00 0.30 O ATOM 428 CB ALA A 31 5.306 -0.313 -10.260 1.00 0.19 C ATOM 0 H ALA A 31 7.639 -1.404 -9.928 1.00 0.24 H new ATOM 0 HA ALA A 31 6.531 1.336 -9.693 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.384 0.178 -9.948 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.459 -0.153 -11.327 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.234 -1.382 -10.060 1.00 0.19 H new ATOM 434 N ILE A 32 6.396 1.076 -7.191 1.00 0.14 N ATOM 435 CA ILE A 32 6.306 0.864 -5.756 1.00 0.13 C ATOM 436 C ILE A 32 4.932 1.247 -5.233 1.00 0.13 C ATOM 437 O ILE A 32 4.400 2.303 -5.554 1.00 0.21 O ATOM 438 CB ILE A 32 7.410 1.604 -4.968 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.387 1.150 -3.513 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.224 3.100 -5.057 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.746 1.155 -2.861 1.00 0.15 C ATOM 0 H ILE A 32 6.551 2.041 -7.483 1.00 0.14 H new ATOM 0 HA ILE A 32 6.462 -0.203 -5.594 1.00 0.13 H new ATOM 0 HB ILE A 32 8.378 1.361 -5.406 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.719 1.800 -2.948 1.00 0.13 H new ATOM 0 HG13 ILE A 32 6.971 0.144 -3.461 1.00 0.13 H new ATOM 0 HG21 ILE A 32 8.013 3.599 -4.494 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.270 3.411 -6.101 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.254 3.372 -4.640 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.655 0.821 -1.827 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.412 0.483 -3.402 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.156 2.165 -2.881 1.00 0.15 H new ATOM 453 N TYR A 33 4.363 0.361 -4.442 1.00 0.10 N ATOM 454 CA TYR A 33 3.014 0.527 -3.948 1.00 0.10 C ATOM 455 C TYR A 33 2.995 0.470 -2.430 1.00 0.09 C ATOM 456 O TYR A 33 3.953 0.012 -1.804 1.00 0.09 O ATOM 457 CB TYR A 33 2.124 -0.580 -4.502 1.00 0.10 C ATOM 458 CG TYR A 33 2.153 -0.699 -6.005 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.368 0.128 -6.793 1.00 0.16 C ATOM 460 CD2 TYR A 33 2.968 -1.628 -6.633 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.393 0.037 -8.164 1.00 0.19 C ATOM 462 CE2 TYR A 33 2.996 -1.730 -8.011 1.00 0.16 C ATOM 463 CZ TYR A 33 2.200 -0.942 -8.768 1.00 0.19 C ATOM 464 OH TYR A 33 2.244 -0.981 -10.147 1.00 0.24 O ATOM 0 H TYR A 33 4.823 -0.493 -4.125 1.00 0.10 H new ATOM 0 HA TYR A 33 2.642 1.498 -4.273 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.432 -1.531 -4.067 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.098 -0.401 -4.182 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.725 0.857 -6.321 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.589 -2.281 -6.038 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.801 0.708 -8.768 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.656 -2.442 -8.485 1.00 0.16 H new ATOM 0 HH TYR A 33 2.436 -1.895 -10.442 1.00 0.24 H new ATOM 474 N ALA A 34 1.897 0.917 -1.843 1.00 0.11 N ATOM 475 CA ALA A 34 1.746 0.866 -0.404 1.00 0.11 C ATOM 476 C ALA A 34 0.956 -0.347 -0.012 1.00 0.10 C ATOM 477 O ALA A 34 -0.198 -0.500 -0.420 1.00 0.14 O ATOM 478 CB ALA A 34 1.052 2.099 0.117 1.00 0.12 C ATOM 0 H ALA A 34 1.102 1.317 -2.341 1.00 0.11 H new ATOM 0 HA ALA A 34 2.743 0.816 0.033 1.00 0.11 H new ATOM 0 HB1 ALA A 34 0.954 2.031 1.200 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.638 2.982 -0.139 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.062 2.177 -0.333 1.00 0.12 H new ATOM 484 N ARG A 35 1.561 -1.209 0.763 1.00 0.09 N ATOM 485 CA ARG A 35 0.869 -2.376 1.230 1.00 0.09 C ATOM 486 C ARG A 35 1.154 -2.584 2.707 1.00 0.08 C ATOM 487 O ARG A 35 2.304 -2.693 3.126 1.00 0.08 O ATOM 488 CB ARG A 35 1.252 -3.611 0.398 1.00 0.10 C ATOM 489 CG ARG A 35 0.073 -4.527 0.126 1.00 0.12 C ATOM 490 CD ARG A 35 -1.002 -3.813 -0.683 1.00 0.16 C ATOM 491 NE ARG A 35 -0.495 -3.390 -1.998 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.263 -3.066 -3.047 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.579 -3.181 -2.981 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.704 -2.643 -4.176 1.00 0.40 N ATOM 0 H ARG A 35 2.526 -1.124 1.081 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.204 -2.228 1.106 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.680 -3.286 -0.550 1.00 0.10 H new ATOM 0 HB3 ARG A 35 2.027 -4.170 0.922 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.412 -5.411 -0.415 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.348 -4.873 1.070 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.858 -4.475 -0.817 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.356 -2.942 -0.131 1.00 0.16 H new ATOM 0 HE ARG A 35 0.516 -3.340 -2.120 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -3.019 -3.519 -2.125 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -3.154 -2.931 -3.786 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.311 -2.565 -4.245 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.290 -2.397 -4.974 1.00 0.40 H new ATOM 508 N TYR A 36 0.101 -2.562 3.497 1.00 0.10 N ATOM 509 CA TYR A 36 0.189 -2.896 4.902 1.00 0.11 C ATOM 510 C TYR A 36 0.308 -4.407 5.010 1.00 0.14 C ATOM 511 O TYR A 36 -0.693 -5.104 5.147 1.00 0.19 O ATOM 512 CB TYR A 36 -1.056 -2.410 5.646 1.00 0.14 C ATOM 513 CG TYR A 36 -0.917 -2.467 7.141 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.217 -1.495 7.839 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.506 -3.491 7.853 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.110 -1.553 9.211 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.410 -3.558 9.221 1.00 0.21 C ATOM 518 CZ TYR A 36 -0.608 -2.557 9.892 1.00 0.18 C ATOM 519 OH TYR A 36 -0.611 -2.653 11.272 1.00 0.20 O ATOM 0 H TYR A 36 -0.837 -2.313 3.184 1.00 0.10 H new ATOM 0 HA TYR A 36 1.055 -2.411 5.352 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.272 -1.384 5.347 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -1.910 -3.016 5.344 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.250 -0.683 7.301 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.054 -4.256 7.323 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.394 -0.756 9.737 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -1.916 -4.332 9.778 1.00 0.21 H new ATOM 0 HH TYR A 36 0.073 -3.294 11.557 1.00 0.20 H new ATOM 529 N ASP A 37 1.527 -4.907 4.902 1.00 0.13 N ATOM 530 CA ASP A 37 1.766 -6.339 4.875 1.00 0.17 C ATOM 531 C ASP A 37 3.080 -6.658 5.554 1.00 0.17 C ATOM 532 O ASP A 37 3.702 -5.777 6.149 1.00 0.16 O ATOM 533 CB ASP A 37 1.781 -6.882 3.437 1.00 0.19 C ATOM 534 CG ASP A 37 1.043 -8.200 3.333 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.560 -9.213 3.847 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.063 -8.224 2.753 1.00 0.63 O ATOM 0 H ASP A 37 2.371 -4.338 4.831 1.00 0.13 H new ATOM 0 HA ASP A 37 0.949 -6.822 5.411 1.00 0.17 H new ATOM 0 HB2 ASP A 37 1.323 -6.154 2.767 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.812 -7.014 3.108 1.00 0.19 H new ATOM 541 N LYS A 38 3.491 -7.910 5.489 1.00 0.24 N ATOM 542 CA LYS A 38 4.787 -8.306 6.003 1.00 0.27 C ATOM 543 C LYS A 38 5.880 -7.861 5.057 1.00 0.26 C ATOM 544 O LYS A 38 5.646 -7.689 3.864 1.00 0.24 O ATOM 545 CB LYS A 38 4.858 -9.817 6.160 1.00 0.35 C ATOM 546 CG LYS A 38 3.895 -10.368 7.190 1.00 0.73 C ATOM 547 CD LYS A 38 3.912 -11.882 7.227 1.00 1.05 C ATOM 548 CE LYS A 38 3.854 -12.480 5.835 1.00 0.94 C ATOM 549 NZ LYS A 38 3.782 -13.965 5.872 1.00 1.74 N ATOM 0 H LYS A 38 2.945 -8.671 5.085 1.00 0.24 H new ATOM 0 HA LYS A 38 4.925 -7.833 6.975 1.00 0.27 H new ATOM 0 HB2 LYS A 38 4.652 -10.284 5.197 1.00 0.35 H new ATOM 0 HB3 LYS A 38 5.874 -10.097 6.439 1.00 0.35 H new ATOM 0 HG2 LYS A 38 4.154 -9.978 8.174 1.00 0.73 H new ATOM 0 HG3 LYS A 38 2.886 -10.022 6.965 1.00 0.73 H new ATOM 0 HD2 LYS A 38 4.816 -12.223 7.732 1.00 1.05 H new ATOM 0 HD3 LYS A 38 3.065 -12.241 7.812 1.00 1.05 H new ATOM 0 HE2 LYS A 38 2.985 -12.087 5.307 1.00 0.94 H new ATOM 0 HE3 LYS A 38 4.735 -12.173 5.271 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 3.744 -14.335 4.901 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 4.624 -14.341 6.353 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 2.928 -14.258 6.388 1.00 1.74 H new ATOM 563 N GLY A 39 7.064 -7.670 5.592 1.00 0.34 N ATOM 564 CA GLY A 39 8.189 -7.332 4.764 1.00 0.39 C ATOM 565 C GLY A 39 8.965 -8.568 4.379 1.00 0.38 C ATOM 566 O GLY A 39 8.420 -9.499 3.781 1.00 0.40 O ATOM 0 H GLY A 39 7.268 -7.743 6.589 1.00 0.34 H new ATOM 0 HA2 GLY A 39 7.844 -6.820 3.866 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.841 -6.639 5.295 1.00 0.39 H new ATOM 570 N ASN A 40 10.234 -8.576 4.729 1.00 0.42 N ATOM 571 CA ASN A 40 11.104 -9.714 4.478 1.00 0.46 C ATOM 572 C ASN A 40 10.731 -10.847 5.455 1.00 0.45 C ATOM 573 O ASN A 40 9.812 -10.687 6.259 1.00 0.42 O ATOM 574 CB ASN A 40 12.556 -9.252 4.660 1.00 0.56 C ATOM 575 CG ASN A 40 13.598 -10.155 4.012 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.394 -11.352 3.820 1.00 0.89 O ATOM 577 ND2 ASN A 40 14.738 -9.572 3.684 1.00 1.69 N ATOM 0 H ASN A 40 10.695 -7.795 5.196 1.00 0.42 H new ATOM 0 HA ASN A 40 10.988 -10.096 3.464 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.658 -8.248 4.247 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.769 -9.181 5.727 1.00 0.56 H new ATOM 0 HD21 ASN A 40 15.485 -10.118 3.256 1.00 1.69 H new ATOM 0 HD22 ASN A 40 14.870 -8.576 3.859 1.00 1.69 H new ATOM 584 N SER A 41 11.446 -11.965 5.398 1.00 0.57 N ATOM 585 CA SER A 41 11.078 -13.174 6.138 1.00 0.65 C ATOM 586 C SER A 41 10.884 -12.907 7.634 1.00 0.63 C ATOM 587 O SER A 41 9.808 -13.162 8.182 1.00 0.75 O ATOM 588 CB SER A 41 12.136 -14.261 5.930 1.00 0.94 C ATOM 589 OG SER A 41 11.719 -15.492 6.490 1.00 1.58 O ATOM 0 H SER A 41 12.295 -12.062 4.841 1.00 0.57 H new ATOM 0 HA SER A 41 10.120 -13.514 5.744 1.00 0.65 H new ATOM 0 HB2 SER A 41 12.326 -14.389 4.864 1.00 0.94 H new ATOM 0 HB3 SER A 41 13.076 -13.950 6.386 1.00 0.94 H new ATOM 0 HG SER A 41 12.411 -16.170 6.342 1.00 1.58 H new ATOM 595 N SER A 42 11.914 -12.389 8.290 1.00 0.70 N ATOM 596 CA SER A 42 11.842 -12.115 9.721 1.00 0.85 C ATOM 597 C SER A 42 11.150 -10.779 9.960 1.00 0.84 C ATOM 598 O SER A 42 10.820 -10.422 11.089 1.00 1.07 O ATOM 599 CB SER A 42 13.249 -12.101 10.322 1.00 1.03 C ATOM 600 OG SER A 42 13.213 -12.128 11.738 1.00 1.61 O ATOM 0 H SER A 42 12.806 -12.151 7.857 1.00 0.70 H new ATOM 0 HA SER A 42 11.263 -12.901 10.206 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.810 -12.961 9.956 1.00 1.03 H new ATOM 0 HB3 SER A 42 13.779 -11.209 9.988 1.00 1.03 H new ATOM 0 HG SER A 42 12.441 -11.615 12.055 1.00 1.61 H new ATOM 606 N GLN A 43 10.921 -10.059 8.877 1.00 0.71 N ATOM 607 CA GLN A 43 10.325 -8.737 8.923 1.00 0.85 C ATOM 608 C GLN A 43 8.815 -8.817 8.706 1.00 0.89 C ATOM 609 O GLN A 43 8.203 -7.910 8.139 1.00 1.47 O ATOM 610 CB GLN A 43 10.986 -7.800 7.906 1.00 0.90 C ATOM 611 CG GLN A 43 12.419 -7.407 8.264 1.00 1.37 C ATOM 612 CD GLN A 43 13.474 -8.399 7.788 1.00 1.82 C ATOM 613 OE1 GLN A 43 13.220 -9.593 7.654 1.00 2.47 O ATOM 614 NE2 GLN A 43 14.674 -7.907 7.532 1.00 2.27 N ATOM 0 H GLN A 43 11.145 -10.378 7.934 1.00 0.71 H new ATOM 0 HA GLN A 43 10.498 -8.320 9.915 1.00 0.85 H new ATOM 0 HB2 GLN A 43 10.986 -8.283 6.929 1.00 0.90 H new ATOM 0 HB3 GLN A 43 10.384 -6.896 7.815 1.00 0.90 H new ATOM 0 HG2 GLN A 43 12.635 -6.429 7.833 1.00 1.37 H new ATOM 0 HG3 GLN A 43 12.496 -7.302 9.346 1.00 1.37 H new ATOM 0 HE21 GLN A 43 14.853 -6.910 7.653 1.00 2.27 H new ATOM 0 HE22 GLN A 43 15.421 -8.524 7.213 1.00 2.27 H new ATOM 623 N GLN A 44 8.244 -9.951 9.109 1.00 0.61 N ATOM 624 CA GLN A 44 6.795 -10.183 9.110 1.00 0.58 C ATOM 625 C GLN A 44 6.045 -9.116 9.941 1.00 0.65 C ATOM 626 O GLN A 44 6.586 -8.042 10.196 1.00 1.34 O ATOM 627 CB GLN A 44 6.538 -11.588 9.653 1.00 0.63 C ATOM 628 CG GLN A 44 7.105 -11.818 11.039 1.00 1.03 C ATOM 629 CD GLN A 44 6.974 -13.253 11.534 1.00 1.58 C ATOM 630 OE1 GLN A 44 6.861 -13.487 12.737 1.00 2.07 O ATOM 631 NE2 GLN A 44 7.012 -14.223 10.630 1.00 2.18 N ATOM 0 H GLN A 44 8.781 -10.749 9.450 1.00 0.61 H new ATOM 0 HA GLN A 44 6.414 -10.102 8.092 1.00 0.58 H new ATOM 0 HB2 GLN A 44 5.463 -11.768 9.675 1.00 0.63 H new ATOM 0 HB3 GLN A 44 6.970 -12.317 8.968 1.00 0.63 H new ATOM 0 HG2 GLN A 44 8.159 -11.539 11.040 1.00 1.03 H new ATOM 0 HG3 GLN A 44 6.600 -11.155 11.741 1.00 1.03 H new ATOM 0 HE21 GLN A 44 7.106 -13.994 9.640 1.00 2.18 H new ATOM 0 HE22 GLN A 44 6.947 -15.197 10.924 1.00 2.18 H new ATOM 640 N THR A 45 4.813 -9.437 10.373 1.00 0.27 N ATOM 641 CA THR A 45 3.877 -8.482 10.989 1.00 0.30 C ATOM 642 C THR A 45 3.579 -7.312 10.058 1.00 0.25 C ATOM 643 O THR A 45 4.464 -6.528 9.709 1.00 0.35 O ATOM 644 CB THR A 45 4.314 -7.961 12.388 1.00 0.47 C ATOM 645 OG1 THR A 45 5.623 -7.383 12.370 1.00 0.57 O ATOM 646 CG2 THR A 45 4.273 -9.082 13.408 1.00 0.59 C ATOM 0 H THR A 45 4.434 -10.382 10.303 1.00 0.27 H new ATOM 0 HA THR A 45 2.965 -9.056 11.153 1.00 0.30 H new ATOM 0 HB THR A 45 3.607 -7.180 12.667 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.890 -7.207 11.444 1.00 0.57 H new ATOM 0 HG21 THR A 45 4.582 -8.700 14.381 1.00 0.59 H new ATOM 0 HG22 THR A 45 3.258 -9.474 13.477 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.950 -9.879 13.100 1.00 0.59 H new ATOM 654 N LYS A 46 2.327 -7.214 9.632 1.00 0.21 N ATOM 655 CA LYS A 46 1.933 -6.170 8.705 1.00 0.18 C ATOM 656 C LYS A 46 2.093 -4.792 9.326 1.00 0.17 C ATOM 657 O LYS A 46 1.592 -4.517 10.417 1.00 0.21 O ATOM 658 CB LYS A 46 0.492 -6.333 8.229 1.00 0.20 C ATOM 659 CG LYS A 46 0.164 -7.715 7.700 1.00 0.23 C ATOM 660 CD LYS A 46 -0.853 -7.646 6.572 1.00 0.24 C ATOM 661 CE LYS A 46 -1.280 -9.034 6.129 1.00 0.34 C ATOM 662 NZ LYS A 46 -1.875 -9.027 4.765 1.00 0.55 N ATOM 0 H LYS A 46 1.574 -7.842 9.913 1.00 0.21 H new ATOM 0 HA LYS A 46 2.596 -6.264 7.845 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.180 -6.104 9.056 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.295 -5.601 7.446 1.00 0.20 H new ATOM 0 HG2 LYS A 46 1.075 -8.196 7.343 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.227 -8.333 8.508 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -1.726 -7.082 6.901 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.425 -7.107 5.726 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -0.418 -9.701 6.145 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.005 -9.434 6.838 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -1.965 -10.004 4.420 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -2.815 -8.584 4.799 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -1.261 -8.488 4.121 1.00 0.55 H new ATOM 676 N GLU A 47 2.819 -3.958 8.618 1.00 0.13 N ATOM 677 CA GLU A 47 2.948 -2.542 8.912 1.00 0.14 C ATOM 678 C GLU A 47 3.061 -1.845 7.584 1.00 0.11 C ATOM 679 O GLU A 47 3.501 -2.461 6.611 1.00 0.12 O ATOM 680 CB GLU A 47 4.174 -2.226 9.767 1.00 0.18 C ATOM 681 CG GLU A 47 4.117 -2.850 11.144 1.00 0.32 C ATOM 682 CD GLU A 47 5.409 -2.696 11.921 1.00 0.33 C ATOM 683 OE1 GLU A 47 6.309 -3.556 11.771 1.00 0.47 O ATOM 684 OE2 GLU A 47 5.542 -1.711 12.679 1.00 0.64 O ATOM 0 H GLU A 47 3.352 -4.250 7.799 1.00 0.13 H new ATOM 0 HA GLU A 47 2.085 -2.208 9.488 1.00 0.14 H new ATOM 0 HB2 GLU A 47 5.068 -2.578 9.252 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.269 -1.145 9.869 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.304 -2.395 11.709 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.883 -3.910 11.046 1.00 0.32 H new ATOM 691 N TRP A 48 2.623 -0.602 7.512 1.00 0.11 N ATOM 692 CA TRP A 48 2.701 0.122 6.267 1.00 0.11 C ATOM 693 C TRP A 48 4.134 0.183 5.781 1.00 0.10 C ATOM 694 O TRP A 48 4.980 0.837 6.373 1.00 0.12 O ATOM 695 CB TRP A 48 2.165 1.531 6.410 1.00 0.12 C ATOM 696 CG TRP A 48 0.680 1.630 6.364 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.139 2.058 7.360 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.162 1.303 5.256 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.445 2.045 6.926 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.483 1.570 5.644 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.079 0.812 3.972 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.566 1.363 4.792 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -0.993 0.605 3.128 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.302 0.881 3.542 1.00 0.14 C ATOM 0 H TRP A 48 2.216 -0.083 8.290 1.00 0.11 H new ATOM 0 HA TRP A 48 2.088 -0.412 5.541 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.516 1.946 7.355 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.583 2.149 5.615 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.186 2.363 8.344 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.254 2.342 7.472 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.086 0.598 3.645 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.576 1.576 5.108 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.820 0.224 2.132 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -3.120 0.709 2.858 1.00 0.14 H new ATOM 715 N ARG A 49 4.398 -0.501 4.708 1.00 0.11 N ATOM 716 CA ARG A 49 5.707 -0.485 4.123 1.00 0.13 C ATOM 717 C ARG A 49 5.574 -0.121 2.667 1.00 0.11 C ATOM 718 O ARG A 49 4.474 -0.151 2.109 1.00 0.13 O ATOM 719 CB ARG A 49 6.380 -1.848 4.277 1.00 0.15 C ATOM 720 CG ARG A 49 6.870 -2.137 5.686 1.00 0.21 C ATOM 721 CD ARG A 49 7.250 -3.597 5.853 1.00 0.31 C ATOM 722 NE ARG A 49 7.712 -3.894 7.201 1.00 0.51 N ATOM 723 CZ ARG A 49 6.996 -4.566 8.103 1.00 0.30 C ATOM 724 NH1 ARG A 49 5.810 -5.065 7.782 1.00 0.82 N ATOM 725 NH2 ARG A 49 7.476 -4.751 9.320 1.00 0.45 N ATOM 0 H ARG A 49 3.719 -1.082 4.216 1.00 0.11 H new ATOM 0 HA ARG A 49 6.330 0.250 4.632 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.676 -2.626 3.981 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.225 -1.905 3.590 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.732 -1.508 5.909 1.00 0.21 H new ATOM 0 HG3 ARG A 49 6.092 -1.878 6.404 1.00 0.21 H new ATOM 0 HD2 ARG A 49 6.389 -4.224 5.619 1.00 0.31 H new ATOM 0 HD3 ARG A 49 8.033 -3.851 5.138 1.00 0.31 H new ATOM 0 HE ARG A 49 8.640 -3.568 7.472 1.00 0.51 H new ATOM 0 HH11 ARG A 49 5.440 -4.936 6.840 1.00 0.82 H new ATOM 0 HH12 ARG A 49 5.268 -5.578 8.477 1.00 0.82 H new ATOM 0 HH21 ARG A 49 8.393 -4.380 9.568 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.929 -5.265 10.011 1.00 0.45 H new ATOM 739 N CYS A 50 6.677 0.213 2.052 1.00 0.11 N ATOM 740 CA CYS A 50 6.667 0.504 0.651 1.00 0.11 C ATOM 741 C CYS A 50 7.188 -0.716 -0.064 1.00 0.11 C ATOM 742 O CYS A 50 8.309 -1.156 0.183 1.00 0.17 O ATOM 743 CB CYS A 50 7.549 1.727 0.377 1.00 0.19 C ATOM 744 SG CYS A 50 7.124 3.166 1.385 1.00 1.13 S ATOM 0 H CYS A 50 7.590 0.289 2.501 1.00 0.11 H new ATOM 0 HA CYS A 50 5.662 0.737 0.298 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.590 1.461 0.559 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.467 1.995 -0.676 1.00 0.19 H new ATOM 0 HG CYS A 50 5.935 3.583 1.066 1.00 1.13 H new ATOM 750 N TYR A 51 6.366 -1.263 -0.933 1.00 0.10 N ATOM 751 CA TYR A 51 6.700 -2.481 -1.638 1.00 0.11 C ATOM 752 C TYR A 51 6.629 -2.240 -3.118 1.00 0.10 C ATOM 753 O TYR A 51 5.580 -1.864 -3.639 1.00 0.11 O ATOM 754 CB TYR A 51 5.728 -3.606 -1.290 1.00 0.11 C ATOM 755 CG TYR A 51 5.663 -3.967 0.160 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.807 -4.181 0.902 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.440 -4.110 0.775 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.733 -4.530 2.231 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.352 -4.457 2.103 1.00 0.16 C ATOM 760 CZ TYR A 51 5.502 -4.663 2.826 1.00 0.16 C ATOM 761 OH TYR A 51 5.422 -5.008 4.147 1.00 0.20 O ATOM 0 H TYR A 51 5.452 -0.878 -1.170 1.00 0.10 H new ATOM 0 HA TYR A 51 7.707 -2.774 -1.340 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.730 -3.318 -1.621 1.00 0.11 H new ATOM 0 HB3 TYR A 51 6.008 -4.494 -1.857 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.774 -4.073 0.433 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.536 -3.947 0.206 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.635 -4.698 2.801 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.386 -4.567 2.574 1.00 0.16 H new ATOM 0 HH TYR A 51 4.516 -4.833 4.476 1.00 0.20 H new ATOM 771 N ILE A 52 7.728 -2.432 -3.803 1.00 0.11 N ATOM 772 CA ILE A 52 7.683 -2.392 -5.240 1.00 0.12 C ATOM 773 C ILE A 52 6.986 -3.634 -5.757 1.00 0.15 C ATOM 774 O ILE A 52 7.030 -4.687 -5.131 1.00 0.17 O ATOM 775 CB ILE A 52 9.063 -2.254 -5.878 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.092 -3.061 -5.153 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.492 -0.805 -5.896 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.409 -3.020 -5.876 1.00 0.24 C ATOM 0 H ILE A 52 8.646 -2.614 -3.398 1.00 0.11 H new ATOM 0 HA ILE A 52 7.123 -1.500 -5.523 1.00 0.12 H new ATOM 0 HB ILE A 52 8.985 -2.630 -6.898 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.216 -2.676 -4.141 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.754 -4.093 -5.062 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.478 -0.723 -6.354 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.775 -0.220 -6.472 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.533 -0.425 -4.875 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.142 -3.614 -5.330 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.286 -3.428 -6.879 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.755 -1.989 -5.943 1.00 0.24 H new ATOM 790 N GLU A 53 6.320 -3.467 -6.893 1.00 0.16 N ATOM 791 CA GLU A 53 5.499 -4.494 -7.524 1.00 0.18 C ATOM 792 C GLU A 53 6.233 -5.831 -7.618 1.00 0.20 C ATOM 793 O GLU A 53 5.614 -6.890 -7.677 1.00 0.24 O ATOM 794 CB GLU A 53 5.084 -4.015 -8.912 1.00 0.19 C ATOM 795 CG GLU A 53 4.258 -5.021 -9.678 1.00 0.22 C ATOM 796 CD GLU A 53 3.942 -4.546 -11.078 1.00 0.27 C ATOM 797 OE1 GLU A 53 4.809 -4.677 -11.967 1.00 0.39 O ATOM 798 OE2 GLU A 53 2.812 -4.056 -11.297 1.00 0.34 O ATOM 0 H GLU A 53 6.336 -2.591 -7.415 1.00 0.16 H new ATOM 0 HA GLU A 53 4.615 -4.658 -6.907 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.515 -3.091 -8.813 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.979 -3.778 -9.488 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.796 -5.968 -9.729 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.329 -5.211 -9.141 1.00 0.22 H new ATOM 805 N LYS A 54 7.556 -5.752 -7.633 1.00 0.20 N ATOM 806 CA LYS A 54 8.419 -6.923 -7.590 1.00 0.24 C ATOM 807 C LYS A 54 8.069 -7.829 -6.411 1.00 0.25 C ATOM 808 O LYS A 54 8.027 -9.057 -6.531 1.00 0.30 O ATOM 809 CB LYS A 54 9.880 -6.468 -7.446 1.00 0.26 C ATOM 810 CG LYS A 54 10.634 -6.281 -8.759 1.00 0.79 C ATOM 811 CD LYS A 54 9.959 -5.293 -9.698 1.00 1.67 C ATOM 812 CE LYS A 54 9.139 -6.007 -10.762 1.00 2.57 C ATOM 813 NZ LYS A 54 8.661 -5.070 -11.811 1.00 3.37 N ATOM 0 H LYS A 54 8.063 -4.868 -7.676 1.00 0.20 H new ATOM 0 HA LYS A 54 8.277 -7.484 -8.514 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.898 -5.526 -6.898 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.414 -7.200 -6.840 1.00 0.26 H new ATOM 0 HG2 LYS A 54 11.646 -5.936 -8.544 1.00 0.79 H new ATOM 0 HG3 LYS A 54 10.725 -7.245 -9.260 1.00 0.79 H new ATOM 0 HD2 LYS A 54 9.313 -4.628 -9.125 1.00 1.67 H new ATOM 0 HD3 LYS A 54 10.714 -4.670 -10.177 1.00 1.67 H new ATOM 0 HE2 LYS A 54 9.742 -6.790 -11.221 1.00 2.57 H new ATOM 0 HE3 LYS A 54 8.284 -6.496 -10.295 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 8.106 -5.594 -12.518 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 8.064 -4.337 -11.376 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 9.477 -4.622 -12.274 1.00 3.37 H new ATOM 827 N GLU A 55 7.800 -7.194 -5.283 1.00 0.22 N ATOM 828 CA GLU A 55 7.707 -7.872 -4.008 1.00 0.26 C ATOM 829 C GLU A 55 6.260 -8.191 -3.619 1.00 0.24 C ATOM 830 O GLU A 55 6.017 -8.953 -2.683 1.00 0.38 O ATOM 831 CB GLU A 55 8.386 -6.993 -2.967 1.00 0.28 C ATOM 832 CG GLU A 55 9.763 -6.528 -3.413 1.00 0.27 C ATOM 833 CD GLU A 55 10.743 -7.674 -3.558 1.00 0.32 C ATOM 834 OE1 GLU A 55 10.779 -8.300 -4.633 1.00 0.70 O ATOM 835 OE2 GLU A 55 11.482 -7.962 -2.596 1.00 0.71 O ATOM 0 H GLU A 55 7.640 -6.188 -5.229 1.00 0.22 H new ATOM 0 HA GLU A 55 8.208 -8.838 -4.073 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.760 -6.124 -2.764 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.477 -7.546 -2.032 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.676 -6.006 -4.366 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.152 -5.810 -2.691 1.00 0.27 H new ATOM 842 N LEU A 56 5.300 -7.613 -4.332 1.00 0.15 N ATOM 843 CA LEU A 56 3.902 -7.932 -4.111 1.00 0.14 C ATOM 844 C LEU A 56 3.490 -9.137 -4.934 1.00 0.16 C ATOM 845 O LEU A 56 4.258 -9.665 -5.738 1.00 0.22 O ATOM 846 CB LEU A 56 2.985 -6.773 -4.498 1.00 0.14 C ATOM 847 CG LEU A 56 2.974 -5.560 -3.574 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.276 -4.811 -3.694 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.830 -4.658 -3.961 1.00 0.15 C ATOM 0 H LEU A 56 5.467 -6.924 -5.065 1.00 0.15 H new ATOM 0 HA LEU A 56 3.799 -8.138 -3.046 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.267 -6.436 -5.496 1.00 0.14 H new ATOM 0 HB3 LEU A 56 1.967 -7.155 -4.567 1.00 0.14 H new ATOM 0 HG LEU A 56 2.851 -5.889 -2.542 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.261 -3.946 -3.031 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.100 -5.467 -3.415 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.410 -4.477 -4.723 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.815 -3.788 -3.305 1.00 0.15 H new ATOM 0 HD22 LEU A 56 1.957 -4.332 -4.993 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.890 -5.201 -3.865 1.00 0.15 H new ATOM 861 N ASP A 57 2.267 -9.554 -4.712 1.00 0.16 N ATOM 862 CA ASP A 57 1.627 -10.580 -5.510 1.00 0.19 C ATOM 863 C ASP A 57 0.233 -10.104 -5.873 1.00 0.21 C ATOM 864 O ASP A 57 -0.566 -9.796 -4.988 1.00 0.24 O ATOM 865 CB ASP A 57 1.531 -11.890 -4.729 1.00 0.22 C ATOM 866 CG ASP A 57 1.075 -13.049 -5.590 1.00 0.28 C ATOM 867 OD1 ASP A 57 -0.143 -13.219 -5.764 1.00 0.98 O ATOM 868 OD2 ASP A 57 1.932 -13.801 -6.088 1.00 0.80 O ATOM 0 H ASP A 57 1.678 -9.188 -3.964 1.00 0.16 H new ATOM 0 HA ASP A 57 2.217 -10.760 -6.409 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.504 -12.124 -4.298 1.00 0.22 H new ATOM 0 HB3 ASP A 57 0.836 -11.764 -3.899 1.00 0.22 H new ATOM 873 N PHE A 58 -0.058 -10.024 -7.157 1.00 0.21 N ATOM 874 CA PHE A 58 -1.353 -9.534 -7.607 1.00 0.23 C ATOM 875 C PHE A 58 -2.331 -10.681 -7.811 1.00 0.28 C ATOM 876 O PHE A 58 -3.430 -10.493 -8.329 1.00 0.35 O ATOM 877 CB PHE A 58 -1.211 -8.712 -8.884 1.00 0.27 C ATOM 878 CG PHE A 58 -0.786 -7.297 -8.628 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.547 -6.979 -8.417 1.00 0.25 C ATOM 880 CD2 PHE A 58 -1.726 -6.283 -8.605 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.934 -5.672 -8.190 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.343 -4.973 -8.376 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.012 -4.668 -8.170 1.00 0.31 C ATOM 0 H PHE A 58 0.580 -10.290 -7.907 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.753 -8.885 -6.828 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.483 -9.191 -9.538 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.163 -8.709 -9.415 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.291 -7.762 -8.430 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -2.768 -6.515 -8.767 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.976 -5.437 -8.028 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.085 -4.189 -8.358 1.00 0.33 H new ATOM 0 HZ PHE A 58 0.288 -3.646 -7.994 1.00 0.31 H new ATOM 893 N SER A 59 -1.934 -11.868 -7.379 1.00 0.27 N ATOM 894 CA SER A 59 -2.834 -13.001 -7.338 1.00 0.33 C ATOM 895 C SER A 59 -3.399 -13.049 -5.934 1.00 0.33 C ATOM 896 O SER A 59 -4.299 -13.824 -5.610 1.00 0.38 O ATOM 897 CB SER A 59 -2.109 -14.294 -7.699 1.00 0.38 C ATOM 898 OG SER A 59 -2.991 -15.405 -7.727 1.00 1.29 O ATOM 0 H SER A 59 -0.989 -12.068 -7.051 1.00 0.27 H new ATOM 0 HA SER A 59 -3.634 -12.894 -8.070 1.00 0.33 H new ATOM 0 HB2 SER A 59 -1.633 -14.184 -8.673 1.00 0.38 H new ATOM 0 HB3 SER A 59 -1.315 -14.479 -6.976 1.00 0.38 H new ATOM 0 HG SER A 59 -3.673 -15.299 -7.031 1.00 1.29 H new ATOM 904 N LYS A 60 -2.845 -12.165 -5.112 1.00 0.29 N ATOM 905 CA LYS A 60 -3.323 -11.916 -3.780 1.00 0.29 C ATOM 906 C LYS A 60 -4.092 -10.615 -3.791 1.00 0.29 C ATOM 907 O LYS A 60 -3.595 -9.601 -4.277 1.00 0.30 O ATOM 908 CB LYS A 60 -2.162 -11.761 -2.798 1.00 0.31 C ATOM 909 CG LYS A 60 -1.758 -13.022 -2.041 1.00 0.46 C ATOM 910 CD LYS A 60 -0.979 -14.002 -2.905 1.00 0.97 C ATOM 911 CE LYS A 60 -1.889 -14.935 -3.683 1.00 1.43 C ATOM 912 NZ LYS A 60 -1.126 -15.750 -4.663 1.00 2.40 N ATOM 0 H LYS A 60 -2.037 -11.597 -5.368 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.944 -12.756 -3.469 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -1.294 -11.396 -3.346 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.426 -10.993 -2.071 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -1.153 -12.744 -1.178 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.653 -13.513 -1.658 1.00 0.46 H new ATOM 0 HD2 LYS A 60 -0.350 -13.448 -3.601 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -0.314 -14.591 -2.273 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -2.413 -15.594 -2.991 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -2.648 -14.352 -4.206 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -1.786 -16.195 -5.333 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 -0.465 -15.138 -5.183 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -0.593 -16.488 -4.160 1.00 2.40 H new ATOM 926 N SER A 61 -5.302 -10.632 -3.284 1.00 0.33 N ATOM 927 CA SER A 61 -6.013 -9.395 -3.110 1.00 0.36 C ATOM 928 C SER A 61 -5.566 -8.784 -1.800 1.00 0.40 C ATOM 929 O SER A 61 -5.708 -9.389 -0.739 1.00 0.49 O ATOM 930 CB SER A 61 -7.521 -9.601 -3.125 1.00 0.45 C ATOM 931 OG SER A 61 -7.890 -10.809 -2.478 1.00 1.19 O ATOM 0 H SER A 61 -5.803 -11.471 -2.991 1.00 0.33 H new ATOM 0 HA SER A 61 -5.786 -8.726 -3.940 1.00 0.36 H new ATOM 0 HB2 SER A 61 -8.009 -8.760 -2.632 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.876 -9.616 -4.155 1.00 0.45 H new ATOM 0 HG SER A 61 -8.864 -10.910 -2.504 1.00 1.19 H new ATOM 937 N GLY A 62 -5.011 -7.603 -1.883 1.00 0.42 N ATOM 938 CA GLY A 62 -4.387 -7.003 -0.733 1.00 0.53 C ATOM 939 C GLY A 62 -5.392 -6.403 0.207 1.00 0.36 C ATOM 940 O GLY A 62 -5.844 -5.279 0.004 1.00 0.28 O ATOM 0 H GLY A 62 -4.978 -7.039 -2.732 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -3.802 -7.756 -0.205 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.691 -6.230 -1.061 1.00 0.53 H new ATOM 944 N ASP A 63 -5.739 -7.148 1.244 1.00 0.39 N ATOM 945 CA ASP A 63 -6.607 -6.640 2.299 1.00 0.35 C ATOM 946 C ASP A 63 -5.765 -5.804 3.257 1.00 0.28 C ATOM 947 O ASP A 63 -6.089 -5.647 4.435 1.00 0.36 O ATOM 948 CB ASP A 63 -7.275 -7.789 3.068 1.00 0.53 C ATOM 949 CG ASP A 63 -7.873 -8.850 2.165 1.00 1.59 C ATOM 950 OD1 ASP A 63 -8.922 -8.593 1.542 1.00 2.41 O ATOM 951 OD2 ASP A 63 -7.293 -9.956 2.083 1.00 2.10 O ATOM 0 H ASP A 63 -5.432 -8.111 1.380 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.394 -6.034 1.851 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -6.539 -8.254 3.724 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -8.059 -7.382 3.706 1.00 0.53 H new ATOM 956 N GLY A 64 -4.672 -5.284 2.721 1.00 0.19 N ATOM 957 CA GLY A 64 -3.709 -4.537 3.502 1.00 0.17 C ATOM 958 C GLY A 64 -3.508 -3.163 2.912 1.00 0.14 C ATOM 959 O GLY A 64 -2.464 -2.546 3.054 1.00 0.20 O ATOM 0 H GLY A 64 -4.431 -5.370 1.734 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -4.055 -4.451 4.532 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.759 -5.071 3.528 1.00 0.17 H new ATOM 963 N CYS A 65 -4.516 -2.701 2.213 1.00 0.16 N ATOM 964 CA CYS A 65 -4.502 -1.380 1.621 1.00 0.19 C ATOM 965 C CYS A 65 -5.418 -0.492 2.422 1.00 0.20 C ATOM 966 O CYS A 65 -6.161 -0.969 3.269 1.00 0.28 O ATOM 967 CB CYS A 65 -5.005 -1.461 0.183 1.00 0.20 C ATOM 968 SG CYS A 65 -4.343 -2.863 -0.736 1.00 0.30 S ATOM 0 H CYS A 65 -5.371 -3.228 2.037 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.489 -0.978 1.623 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.093 -1.524 0.191 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.742 -0.540 -0.337 1.00 0.20 H new ATOM 0 HG CYS A 65 -4.846 -3.966 -0.267 1.00 0.30 H new ATOM 974 N VAL A 66 -5.345 0.785 2.175 1.00 0.23 N ATOM 975 CA VAL A 66 -6.314 1.710 2.703 1.00 0.20 C ATOM 976 C VAL A 66 -7.123 2.236 1.545 1.00 0.20 C ATOM 977 O VAL A 66 -6.627 2.334 0.424 1.00 0.25 O ATOM 978 CB VAL A 66 -5.647 2.875 3.467 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.434 3.352 2.707 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.602 4.033 3.697 1.00 0.20 C ATOM 0 H VAL A 66 -4.617 1.215 1.605 1.00 0.23 H new ATOM 0 HA VAL A 66 -6.951 1.193 3.421 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.350 2.500 4.446 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.965 4.174 3.248 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.723 2.532 2.605 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.736 3.695 1.717 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -6.087 4.827 4.238 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.950 4.414 2.737 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.455 3.690 4.282 1.00 0.20 H new ATOM 990 N ASP A 67 -8.362 2.543 1.816 1.00 0.18 N ATOM 991 CA ASP A 67 -9.269 3.005 0.786 1.00 0.23 C ATOM 992 C ASP A 67 -9.068 4.510 0.616 1.00 0.24 C ATOM 993 O ASP A 67 -7.987 5.016 0.918 1.00 0.26 O ATOM 994 CB ASP A 67 -10.701 2.641 1.182 1.00 0.29 C ATOM 995 CG ASP A 67 -11.639 2.553 -0.008 1.00 0.85 C ATOM 996 OD1 ASP A 67 -12.060 3.616 -0.519 1.00 1.04 O ATOM 997 OD2 ASP A 67 -11.959 1.433 -0.441 1.00 1.49 O ATOM 0 H ASP A 67 -8.775 2.483 2.747 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.070 2.527 -0.173 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.696 1.685 1.706 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -11.079 3.386 1.882 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.058 5.240 0.135 1.00 0.28 N ATOM 1003 CA ASP A 68 -9.906 6.690 0.057 1.00 0.32 C ATOM 1004 C ASP A 68 -9.924 7.276 1.459 1.00 0.33 C ATOM 1005 O ASP A 68 -9.235 8.237 1.741 1.00 0.73 O ATOM 1006 CB ASP A 68 -10.958 7.371 -0.831 1.00 0.45 C ATOM 1007 CG ASP A 68 -12.387 7.052 -0.448 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -12.784 7.355 0.692 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -13.119 6.496 -1.296 1.00 1.41 O ATOM 0 H ASP A 68 -10.949 4.873 -0.199 1.00 0.28 H new ATOM 0 HA ASP A 68 -8.946 6.887 -0.420 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -10.813 8.450 -0.786 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -10.794 7.071 -1.866 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.697 6.671 2.336 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.665 7.012 3.741 1.00 0.28 C ATOM 1016 C CYS A 69 -9.702 6.065 4.431 1.00 0.24 C ATOM 1017 O CYS A 69 -9.526 4.937 3.968 1.00 0.23 O ATOM 1018 CB CYS A 69 -12.062 6.880 4.351 1.00 0.40 C ATOM 1019 SG CYS A 69 -12.136 7.238 6.120 1.00 1.49 S ATOM 0 H CYS A 69 -11.361 5.934 2.097 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.338 8.044 3.870 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.740 7.554 3.827 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.426 5.867 4.182 1.00 0.40 H new ATOM 0 HG CYS A 69 -13.359 7.101 6.540 1.00 1.49 H new ATOM 1025 N GLY A 70 -9.064 6.512 5.513 1.00 0.25 N ATOM 1026 CA GLY A 70 -8.114 5.663 6.207 1.00 0.25 C ATOM 1027 C GLY A 70 -8.792 4.527 6.942 1.00 0.28 C ATOM 1028 O GLY A 70 -8.886 4.518 8.168 1.00 0.36 O ATOM 0 H GLY A 70 -9.188 7.440 5.917 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.402 5.255 5.489 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.544 6.263 6.916 1.00 0.25 H new ATOM 1032 N SER A 71 -9.270 3.588 6.160 1.00 0.25 N ATOM 1033 CA SER A 71 -9.770 2.323 6.628 1.00 0.28 C ATOM 1034 C SER A 71 -9.256 1.276 5.657 1.00 0.25 C ATOM 1035 O SER A 71 -9.202 1.534 4.449 1.00 0.24 O ATOM 1036 CB SER A 71 -11.295 2.345 6.663 1.00 0.34 C ATOM 1037 OG SER A 71 -11.814 1.185 7.289 1.00 1.10 O ATOM 0 H SER A 71 -9.322 3.690 5.146 1.00 0.25 H new ATOM 0 HA SER A 71 -9.433 2.104 7.641 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.636 3.232 7.197 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.683 2.416 5.647 1.00 0.34 H new ATOM 0 HG SER A 71 -12.793 1.228 7.298 1.00 1.10 H new ATOM 1043 N MET A 72 -8.853 0.120 6.151 1.00 0.32 N ATOM 1044 CA MET A 72 -8.223 -0.859 5.285 1.00 0.30 C ATOM 1045 C MET A 72 -9.209 -1.418 4.275 1.00 0.30 C ATOM 1046 O MET A 72 -10.343 -1.762 4.609 1.00 0.46 O ATOM 1047 CB MET A 72 -7.589 -1.993 6.075 1.00 0.36 C ATOM 1048 CG MET A 72 -6.550 -1.535 7.084 1.00 0.85 C ATOM 1049 SD MET A 72 -5.843 -2.903 8.022 1.00 1.03 S ATOM 1050 CE MET A 72 -7.309 -3.566 8.817 1.00 1.68 C ATOM 0 H MET A 72 -8.948 -0.161 7.127 1.00 0.32 H new ATOM 0 HA MET A 72 -7.431 -0.337 4.749 1.00 0.30 H new ATOM 0 HB2 MET A 72 -8.373 -2.540 6.598 1.00 0.36 H new ATOM 0 HB3 MET A 72 -7.123 -2.691 5.379 1.00 0.36 H new ATOM 0 HG2 MET A 72 -5.752 -1.006 6.563 1.00 0.85 H new ATOM 0 HG3 MET A 72 -7.007 -0.825 7.773 1.00 0.85 H new ATOM 0 HE1 MET A 72 -7.017 -4.148 9.691 1.00 1.68 H new ATOM 0 HE2 MET A 72 -7.957 -2.746 9.127 1.00 1.68 H new ATOM 0 HE3 MET A 72 -7.845 -4.207 8.116 1.00 1.68 H new ATOM 1060 N THR A 73 -8.759 -1.496 3.040 1.00 0.21 N ATOM 1061 CA THR A 73 -9.570 -1.978 1.949 1.00 0.19 C ATOM 1062 C THR A 73 -8.813 -3.062 1.193 1.00 0.18 C ATOM 1063 O THR A 73 -7.608 -3.243 1.394 1.00 0.19 O ATOM 1064 CB THR A 73 -9.949 -0.820 1.006 1.00 0.21 C ATOM 1065 OG1 THR A 73 -11.021 -1.204 0.132 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.751 -0.372 0.186 1.00 0.22 C ATOM 0 H THR A 73 -7.815 -1.225 2.767 1.00 0.21 H new ATOM 0 HA THR A 73 -10.492 -2.402 2.348 1.00 0.19 H new ATOM 0 HB THR A 73 -10.280 0.014 1.624 1.00 0.21 H new ATOM 0 HG1 THR A 73 -11.478 -0.402 -0.197 1.00 0.26 H new ATOM 0 HG21 THR A 73 -9.045 0.446 -0.471 1.00 0.22 H new ATOM 0 HG22 THR A 73 -7.959 -0.034 0.854 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.388 -1.207 -0.414 1.00 0.22 H new ATOM 1074 N SER A 74 -9.512 -3.780 0.336 1.00 0.27 N ATOM 1075 CA SER A 74 -8.915 -4.877 -0.392 1.00 0.30 C ATOM 1076 C SER A 74 -8.625 -4.479 -1.835 1.00 0.35 C ATOM 1077 O SER A 74 -9.536 -4.161 -2.598 1.00 0.47 O ATOM 1078 CB SER A 74 -9.832 -6.088 -0.363 1.00 0.37 C ATOM 1079 OG SER A 74 -10.233 -6.395 0.959 1.00 1.25 O ATOM 0 H SER A 74 -10.498 -3.621 0.128 1.00 0.27 H new ATOM 0 HA SER A 74 -7.972 -5.131 0.092 1.00 0.30 H new ATOM 0 HB2 SER A 74 -10.712 -5.896 -0.977 1.00 0.37 H new ATOM 0 HB3 SER A 74 -9.320 -6.946 -0.799 1.00 0.37 H new ATOM 0 HG SER A 74 -9.650 -7.093 1.324 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.353 -4.492 -2.193 1.00 0.30 N ATOM 1086 CA CYS A 75 -6.921 -4.199 -3.552 1.00 0.35 C ATOM 1087 C CYS A 75 -5.753 -5.108 -3.909 1.00 0.33 C ATOM 1088 O CYS A 75 -4.810 -5.225 -3.131 1.00 0.43 O ATOM 1089 CB CYS A 75 -6.512 -2.733 -3.664 1.00 0.39 C ATOM 1090 SG CYS A 75 -5.961 -2.235 -5.312 1.00 1.40 S ATOM 0 H CYS A 75 -6.589 -4.706 -1.551 1.00 0.30 H new ATOM 0 HA CYS A 75 -7.741 -4.379 -4.247 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -7.357 -2.109 -3.373 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -5.711 -2.537 -2.952 1.00 0.39 H new ATOM 0 HG CYS A 75 -5.640 -0.975 -5.300 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.817 -5.744 -5.080 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.847 -6.775 -5.456 1.00 0.26 C ATOM 1098 C ARG A 76 -3.428 -6.270 -5.390 1.00 0.22 C ATOM 1099 O ARG A 76 -3.057 -5.301 -6.043 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.133 -7.324 -6.842 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.357 -8.198 -6.889 1.00 0.39 C ATOM 1102 CD ARG A 76 -6.041 -9.622 -6.545 1.00 0.79 C ATOM 1103 NE ARG A 76 -7.007 -10.546 -7.136 1.00 1.01 N ATOM 1104 CZ ARG A 76 -7.350 -11.721 -6.605 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -6.864 -12.091 -5.427 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -8.193 -12.520 -7.245 1.00 1.87 N ATOM 0 H ARG A 76 -6.531 -5.563 -5.785 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.955 -7.579 -4.728 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.260 -6.493 -7.536 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.271 -7.897 -7.184 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -7.104 -7.814 -6.194 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -6.796 -8.154 -7.886 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -5.039 -9.868 -6.897 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -6.037 -9.743 -5.462 1.00 0.79 H new ATOM 0 HE ARG A 76 -7.449 -10.274 -8.014 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -6.225 -11.476 -4.923 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -7.129 -12.990 -5.025 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -8.580 -12.237 -8.145 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -8.454 -13.418 -6.837 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.669 -6.912 -4.542 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.295 -6.568 -4.344 1.00 0.19 C ATOM 1122 C GLY A 77 -0.925 -6.853 -2.927 1.00 0.24 C ATOM 1123 O GLY A 77 -1.461 -6.221 -2.034 1.00 0.59 O ATOM 0 H GLY A 77 -2.992 -7.691 -3.969 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.662 -7.141 -5.021 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.134 -5.514 -4.571 1.00 0.19 H new ATOM 1127 N SER A 78 -0.074 -7.824 -2.701 1.00 0.20 N ATOM 1128 CA SER A 78 0.331 -8.140 -1.344 1.00 0.17 C ATOM 1129 C SER A 78 1.537 -9.046 -1.315 1.00 0.20 C ATOM 1130 O SER A 78 1.718 -9.888 -2.184 1.00 0.26 O ATOM 1131 CB SER A 78 -0.835 -8.781 -0.587 1.00 0.20 C ATOM 1132 OG SER A 78 -1.414 -7.871 0.336 1.00 0.73 O ATOM 0 H SER A 78 0.349 -8.405 -3.425 1.00 0.20 H new ATOM 0 HA SER A 78 0.612 -7.208 -0.854 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.593 -9.114 -1.296 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.484 -9.666 -0.057 1.00 0.20 H new ATOM 0 HG SER A 78 -0.970 -7.960 1.205 1.00 0.73 H new ATOM 1138 N VAL A 79 2.352 -8.850 -0.296 1.00 0.18 N ATOM 1139 CA VAL A 79 3.609 -9.552 -0.160 1.00 0.20 C ATOM 1140 C VAL A 79 3.383 -11.047 0.082 1.00 0.27 C ATOM 1141 O VAL A 79 3.115 -11.474 1.204 1.00 0.33 O ATOM 1142 CB VAL A 79 4.439 -8.928 0.981 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.730 -9.688 1.224 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.742 -7.476 0.658 1.00 0.25 C ATOM 0 H VAL A 79 2.158 -8.196 0.462 1.00 0.18 H new ATOM 0 HA VAL A 79 4.165 -9.452 -1.092 1.00 0.20 H new ATOM 0 HB VAL A 79 3.848 -8.987 1.895 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.283 -9.215 2.035 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.500 -10.719 1.494 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.335 -9.677 0.317 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.328 -7.038 1.466 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.308 -7.421 -0.272 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.808 -6.925 0.548 1.00 0.25 H new ATOM 1154 N SER A 80 3.462 -11.825 -0.995 1.00 0.33 N ATOM 1155 CA SER A 80 3.260 -13.264 -0.925 1.00 0.41 C ATOM 1156 C SER A 80 4.459 -13.926 -0.246 1.00 0.43 C ATOM 1157 O SER A 80 4.358 -14.431 0.874 1.00 0.97 O ATOM 1158 CB SER A 80 3.048 -13.825 -2.326 1.00 0.48 C ATOM 1159 OG SER A 80 2.727 -15.205 -2.297 1.00 0.96 O ATOM 0 H SER A 80 3.666 -11.476 -1.932 1.00 0.33 H new ATOM 0 HA SER A 80 2.371 -13.477 -0.332 1.00 0.41 H new ATOM 0 HB2 SER A 80 2.247 -13.276 -2.820 1.00 0.48 H new ATOM 0 HB3 SER A 80 3.950 -13.674 -2.918 1.00 0.48 H new ATOM 0 HG SER A 80 2.596 -15.530 -3.212 1.00 0.96 H new ATOM 1165 N GLY A 81 5.593 -13.908 -0.933 1.00 0.56 N ATOM 1166 CA GLY A 81 6.838 -14.336 -0.336 1.00 0.58 C ATOM 1167 C GLY A 81 7.548 -13.164 0.284 1.00 0.56 C ATOM 1168 O GLY A 81 7.162 -12.024 0.045 1.00 0.86 O ATOM 0 H GLY A 81 5.670 -13.601 -1.903 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.644 -15.095 0.422 1.00 0.58 H new ATOM 0 HA3 GLY A 81 7.473 -14.796 -1.093 1.00 0.58 H new ATOM 1172 N PRO A 82 8.594 -13.408 1.074 1.00 0.46 N ATOM 1173 CA PRO A 82 9.257 -12.363 1.852 1.00 0.41 C ATOM 1174 C PRO A 82 9.828 -11.266 0.963 1.00 0.41 C ATOM 1175 O PRO A 82 10.603 -11.532 0.040 1.00 0.57 O ATOM 1176 CB PRO A 82 10.362 -13.109 2.595 1.00 0.48 C ATOM 1177 CG PRO A 82 9.928 -14.535 2.566 1.00 0.61 C ATOM 1178 CD PRO A 82 9.232 -14.710 1.257 1.00 0.70 C ATOM 0 HA PRO A 82 8.569 -11.848 2.523 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.328 -12.977 2.108 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.469 -12.746 3.617 1.00 0.48 H new ATOM 0 HG2 PRO A 82 10.782 -15.207 2.650 1.00 0.61 H new ATOM 0 HG3 PRO A 82 9.262 -14.760 3.399 1.00 0.61 H new ATOM 0 HD2 PRO A 82 9.930 -14.939 0.452 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.504 -15.520 1.288 1.00 0.70 H new ATOM 1186 N SER A 83 9.435 -10.037 1.242 1.00 0.36 N ATOM 1187 CA SER A 83 9.783 -8.919 0.394 1.00 0.37 C ATOM 1188 C SER A 83 11.082 -8.261 0.849 1.00 0.35 C ATOM 1189 O SER A 83 11.198 -7.783 1.978 1.00 0.45 O ATOM 1190 CB SER A 83 8.632 -7.911 0.375 1.00 0.44 C ATOM 1191 OG SER A 83 8.260 -7.505 1.680 1.00 1.45 O ATOM 0 H SER A 83 8.871 -9.790 2.055 1.00 0.36 H new ATOM 0 HA SER A 83 9.947 -9.287 -0.619 1.00 0.37 H new ATOM 0 HB2 SER A 83 8.925 -7.037 -0.207 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.771 -8.353 -0.126 1.00 0.44 H new ATOM 0 HG SER A 83 7.836 -6.622 1.640 1.00 1.45 H new ATOM 1197 N THR A 84 12.062 -8.248 -0.036 1.00 0.33 N ATOM 1198 CA THR A 84 13.347 -7.645 0.256 1.00 0.34 C ATOM 1199 C THR A 84 13.347 -6.194 -0.196 1.00 0.23 C ATOM 1200 O THR A 84 13.781 -5.300 0.535 1.00 0.21 O ATOM 1201 CB THR A 84 14.492 -8.380 -0.457 1.00 0.46 C ATOM 1202 OG1 THR A 84 14.241 -9.791 -0.456 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.821 -8.102 0.229 1.00 0.67 C ATOM 0 H THR A 84 11.990 -8.652 -0.970 1.00 0.33 H new ATOM 0 HA THR A 84 13.505 -7.712 1.332 1.00 0.34 H new ATOM 0 HB THR A 84 14.545 -8.018 -1.484 1.00 0.46 H new ATOM 0 HG1 THR A 84 14.974 -10.254 -0.914 1.00 0.91 H new ATOM 0 HG21 THR A 84 16.618 -8.632 -0.293 1.00 0.67 H new ATOM 0 HG22 THR A 84 16.024 -7.031 0.209 1.00 0.67 H new ATOM 0 HG23 THR A 84 15.775 -8.443 1.263 1.00 0.67 H new ATOM 1211 N SER A 85 12.828 -5.967 -1.392 1.00 0.21 N ATOM 1212 CA SER A 85 12.779 -4.637 -1.964 1.00 0.25 C ATOM 1213 C SER A 85 11.624 -3.854 -1.353 1.00 0.29 C ATOM 1214 O SER A 85 10.529 -3.789 -1.916 1.00 0.61 O ATOM 1215 CB SER A 85 12.630 -4.733 -3.488 1.00 0.50 C ATOM 1216 OG SER A 85 13.560 -5.665 -4.027 1.00 1.76 O ATOM 0 H SER A 85 12.433 -6.695 -1.987 1.00 0.21 H new ATOM 0 HA SER A 85 13.707 -4.110 -1.741 1.00 0.25 H new ATOM 0 HB2 SER A 85 11.614 -5.038 -3.740 1.00 0.50 H new ATOM 0 HB3 SER A 85 12.789 -3.752 -3.936 1.00 0.50 H new ATOM 0 HG SER A 85 13.448 -5.713 -4.999 1.00 1.76 H new ATOM 1222 N HIS A 86 11.872 -3.257 -0.194 1.00 0.19 N ATOM 1223 CA HIS A 86 10.812 -2.615 0.560 1.00 0.20 C ATOM 1224 C HIS A 86 11.369 -1.630 1.579 1.00 0.20 C ATOM 1225 O HIS A 86 12.535 -1.712 1.970 1.00 0.25 O ATOM 1226 CB HIS A 86 9.961 -3.669 1.277 1.00 0.26 C ATOM 1227 CG HIS A 86 10.605 -4.261 2.501 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.823 -4.903 2.488 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.197 -4.270 3.793 1.00 0.50 C ATOM 1230 CE1 HIS A 86 12.135 -5.280 3.714 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.166 -4.906 4.528 1.00 0.44 N ATOM 0 H HIS A 86 12.794 -3.206 0.239 1.00 0.19 H new ATOM 0 HA HIS A 86 10.193 -2.062 -0.146 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.011 -3.218 1.564 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.734 -4.473 0.576 1.00 0.26 H new ATOM 0 HD1 HIS A 86 12.396 -5.063 1.659 1.00 0.29 H new ATOM 0 HD2 HIS A 86 9.277 -3.853 4.175 1.00 0.50 H new ATOM 0 HE1 HIS A 86 13.033 -5.806 4.003 1.00 0.30 H new ATOM 1240 N LEU A 87 10.514 -0.720 2.021 1.00 0.19 N ATOM 1241 CA LEU A 87 10.877 0.250 3.044 1.00 0.19 C ATOM 1242 C LEU A 87 9.794 0.316 4.107 1.00 0.18 C ATOM 1243 O LEU A 87 8.643 0.600 3.794 1.00 0.18 O ATOM 1244 CB LEU A 87 11.064 1.643 2.430 1.00 0.21 C ATOM 1245 CG LEU A 87 12.254 1.788 1.481 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.840 1.470 0.057 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.842 3.181 1.570 1.00 0.58 C ATOM 0 H LEU A 87 9.555 -0.633 1.684 1.00 0.19 H new ATOM 0 HA LEU A 87 11.817 -0.069 3.495 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.155 1.908 1.889 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.176 2.366 3.238 1.00 0.21 H new ATOM 0 HG LEU A 87 13.022 1.075 1.782 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.699 1.578 -0.605 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.469 0.446 0.006 1.00 0.38 H new ATOM 0 HD13 LEU A 87 11.053 2.157 -0.255 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.688 3.263 0.887 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.083 3.914 1.298 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.179 3.369 2.589 1.00 0.58 H new ATOM 1259 N THR A 88 10.143 0.047 5.355 1.00 0.17 N ATOM 1260 CA THR A 88 9.171 0.148 6.432 1.00 0.15 C ATOM 1261 C THR A 88 9.003 1.594 6.847 1.00 0.18 C ATOM 1262 O THR A 88 9.773 2.116 7.657 1.00 0.22 O ATOM 1263 CB THR A 88 9.571 -0.679 7.667 1.00 0.17 C ATOM 1264 OG1 THR A 88 10.037 -1.971 7.259 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.395 -0.841 8.618 1.00 0.18 C ATOM 0 H THR A 88 11.078 -0.239 5.645 1.00 0.17 H new ATOM 0 HA THR A 88 8.233 -0.252 6.046 1.00 0.15 H new ATOM 0 HB THR A 88 10.368 -0.148 8.187 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.292 -2.492 8.049 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.704 -1.429 9.482 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.057 0.141 8.949 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.580 -1.351 8.105 1.00 0.18 H new ATOM 1273 N ARG A 89 8.019 2.255 6.268 1.00 0.19 N ATOM 1274 CA ARG A 89 7.664 3.583 6.713 1.00 0.25 C ATOM 1275 C ARG A 89 6.183 3.613 7.073 1.00 0.20 C ATOM 1276 O ARG A 89 5.407 4.348 6.474 1.00 0.24 O ATOM 1277 CB ARG A 89 7.927 4.574 5.579 1.00 0.38 C ATOM 1278 CG ARG A 89 9.283 4.422 4.911 1.00 0.33 C ATOM 1279 CD ARG A 89 10.358 5.204 5.640 1.00 1.12 C ATOM 1280 NE ARG A 89 11.537 5.427 4.805 1.00 1.99 N ATOM 1281 CZ ARG A 89 12.726 5.791 5.283 1.00 2.70 C ATOM 1282 NH1 ARG A 89 12.943 5.807 6.591 1.00 2.77 N ATOM 1283 NH2 ARG A 89 13.706 6.106 4.447 1.00 3.65 N ATOM 0 H ARG A 89 7.458 1.896 5.496 1.00 0.19 H new ATOM 0 HA ARG A 89 8.258 3.853 7.586 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.149 4.458 4.824 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.841 5.587 5.972 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.557 3.368 4.881 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.220 4.765 3.878 1.00 0.33 H new ATOM 0 HD2 ARG A 89 9.953 6.164 5.959 1.00 1.12 H new ATOM 0 HD3 ARG A 89 10.649 4.665 6.542 1.00 1.12 H new ATOM 0 HE ARG A 89 11.444 5.296 3.798 1.00 1.99 H new ATOM 0 HH11 ARG A 89 12.198 5.540 7.235 1.00 2.77 H new ATOM 0 HH12 ARG A 89 13.855 6.086 6.953 1.00 2.77 H new ATOM 0 HH21 ARG A 89 13.549 6.069 3.440 1.00 3.65 H new ATOM 0 HH22 ARG A 89 14.617 6.385 4.811 1.00 3.65 H new ATOM 1297 N PRO A 90 5.785 2.884 8.122 1.00 0.15 N ATOM 1298 CA PRO A 90 4.384 2.770 8.493 1.00 0.14 C ATOM 1299 C PRO A 90 3.864 4.055 9.120 1.00 0.16 C ATOM 1300 O PRO A 90 2.700 4.421 8.940 1.00 0.25 O ATOM 1301 CB PRO A 90 4.346 1.589 9.475 1.00 0.13 C ATOM 1302 CG PRO A 90 5.713 0.991 9.461 1.00 0.14 C ATOM 1303 CD PRO A 90 6.643 2.055 8.970 1.00 0.15 C ATOM 0 HA PRO A 90 3.738 2.603 7.631 1.00 0.14 H new ATOM 0 HB2 PRO A 90 4.078 1.924 10.477 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.598 0.856 9.174 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.999 0.657 10.458 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.747 0.117 8.810 1.00 0.14 H new ATOM 0 HD2 PRO A 90 7.070 2.628 9.793 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.477 1.633 8.409 1.00 0.15 H new ATOM 1311 N SER A 91 4.751 4.753 9.814 1.00 0.16 N ATOM 1312 CA SER A 91 4.436 6.053 10.384 1.00 0.18 C ATOM 1313 C SER A 91 4.174 7.055 9.268 1.00 0.21 C ATOM 1314 O SER A 91 3.326 7.935 9.390 1.00 0.33 O ATOM 1315 CB SER A 91 5.612 6.533 11.235 1.00 0.27 C ATOM 1316 OG SER A 91 5.251 7.602 12.096 1.00 1.21 O ATOM 0 H SER A 91 5.703 4.436 9.997 1.00 0.16 H new ATOM 0 HA SER A 91 3.545 5.968 11.006 1.00 0.18 H new ATOM 0 HB2 SER A 91 5.991 5.702 11.830 1.00 0.27 H new ATOM 0 HB3 SER A 91 6.424 6.853 10.582 1.00 0.27 H new ATOM 0 HG SER A 91 6.031 7.876 12.622 1.00 1.21 H new ATOM 1322 N GLU A 92 4.903 6.891 8.173 1.00 0.17 N ATOM 1323 CA GLU A 92 4.864 7.829 7.066 1.00 0.20 C ATOM 1324 C GLU A 92 3.692 7.554 6.129 1.00 0.21 C ATOM 1325 O GLU A 92 3.056 8.490 5.648 1.00 0.33 O ATOM 1326 CB GLU A 92 6.189 7.788 6.314 1.00 0.30 C ATOM 1327 CG GLU A 92 7.117 8.937 6.668 1.00 0.99 C ATOM 1328 CD GLU A 92 6.537 10.285 6.293 1.00 1.98 C ATOM 1329 OE1 GLU A 92 5.734 10.831 7.076 1.00 2.37 O ATOM 1330 OE2 GLU A 92 6.880 10.812 5.213 1.00 2.78 O ATOM 0 H GLU A 92 5.536 6.104 8.030 1.00 0.17 H new ATOM 0 HA GLU A 92 4.714 8.830 7.471 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.692 6.845 6.529 1.00 0.30 H new ATOM 0 HB3 GLU A 92 5.991 7.807 5.242 1.00 0.30 H new ATOM 0 HG2 GLU A 92 7.322 8.918 7.738 1.00 0.99 H new ATOM 0 HG3 GLU A 92 8.071 8.800 6.158 1.00 0.99 H new ATOM 1337 N LEU A 93 3.403 6.282 5.865 1.00 0.17 N ATOM 1338 CA LEU A 93 2.228 5.933 5.068 1.00 0.18 C ATOM 1339 C LEU A 93 0.954 6.410 5.761 1.00 0.17 C ATOM 1340 O LEU A 93 0.169 7.165 5.193 1.00 0.19 O ATOM 1341 CB LEU A 93 2.136 4.421 4.810 1.00 0.19 C ATOM 1342 CG LEU A 93 2.900 3.874 3.589 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.659 4.738 2.371 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.388 3.754 3.858 1.00 0.33 C ATOM 0 H LEU A 93 3.956 5.487 6.185 1.00 0.17 H new ATOM 0 HA LEU A 93 2.333 6.434 4.106 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.499 3.903 5.697 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.084 4.160 4.697 1.00 0.19 H new ATOM 0 HG LEU A 93 2.515 2.873 3.394 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.209 4.332 1.522 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.594 4.752 2.140 1.00 0.15 H new ATOM 0 HD13 LEU A 93 3.001 5.753 2.572 1.00 0.15 H new ATOM 0 HD21 LEU A 93 4.888 3.365 2.971 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.794 4.736 4.102 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.553 3.075 4.695 1.00 0.33 H new ATOM 1356 N GLN A 94 0.781 6.028 7.016 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.459 6.324 7.731 1.00 0.18 C ATOM 1358 C GLN A 94 -0.556 7.822 7.983 1.00 0.18 C ATOM 1359 O GLN A 94 -1.630 8.362 8.233 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.526 5.536 9.043 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.818 4.741 9.204 1.00 0.36 C ATOM 1362 CD GLN A 94 -3.052 5.616 9.337 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -3.006 6.701 9.914 1.00 1.81 O ATOM 1364 NE2 GLN A 94 -4.159 5.163 8.775 1.00 0.34 N ATOM 0 H GLN A 94 1.475 5.516 7.561 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.308 6.018 7.120 1.00 0.18 H new ATOM 0 HB2 GLN A 94 0.322 4.852 9.092 1.00 0.17 H new ATOM 0 HB3 GLN A 94 -0.426 6.228 9.880 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.940 4.082 8.344 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -1.737 4.104 10.085 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -4.159 4.258 8.305 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -5.014 5.719 8.811 1.00 0.34 H new ATOM 1373 N ALA A 95 0.580 8.484 7.872 1.00 0.18 N ATOM 1374 CA ALA A 95 0.647 9.927 7.984 1.00 0.19 C ATOM 1375 C ALA A 95 -0.073 10.603 6.836 1.00 0.15 C ATOM 1376 O ALA A 95 -0.836 11.537 7.050 1.00 0.18 O ATOM 1377 CB ALA A 95 2.077 10.386 7.998 1.00 0.21 C ATOM 0 H ALA A 95 1.481 8.037 7.702 1.00 0.18 H new ATOM 0 HA ALA A 95 0.160 10.203 8.919 1.00 0.19 H new ATOM 0 HB1 ALA A 95 2.110 11.472 8.083 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.594 9.940 8.848 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.567 10.079 7.074 1.00 0.21 H new ATOM 1383 N VAL A 96 0.171 10.136 5.613 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.473 10.721 4.458 1.00 0.12 C ATOM 1385 C VAL A 96 -1.901 10.232 4.405 1.00 0.11 C ATOM 1386 O VAL A 96 -2.760 10.880 3.854 1.00 0.11 O ATOM 1387 CB VAL A 96 0.251 10.436 3.107 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.482 9.575 3.299 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.687 9.791 2.097 1.00 0.16 C ATOM 0 H VAL A 96 0.804 9.363 5.406 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.431 11.803 4.580 1.00 0.12 H new ATOM 0 HB VAL A 96 0.570 11.401 2.714 1.00 0.14 H new ATOM 0 HG11 VAL A 96 1.957 9.400 2.334 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.182 10.084 3.961 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.193 8.621 3.740 1.00 0.19 H new ATOM 0 HG21 VAL A 96 -0.149 9.606 1.167 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -1.057 8.846 2.496 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.528 10.458 1.904 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.155 9.085 5.001 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.513 8.659 5.185 1.00 0.11 C ATOM 1401 C ILE A 97 -4.212 9.702 6.025 1.00 0.12 C ATOM 1402 O ILE A 97 -5.115 10.380 5.563 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.580 7.289 5.861 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.247 6.201 4.849 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.950 7.060 6.463 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.588 4.992 5.461 1.00 0.16 C ATOM 0 H ILE A 97 -1.446 8.445 5.359 1.00 0.11 H new ATOM 0 HA ILE A 97 -4.003 8.557 4.216 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.848 7.255 6.668 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.163 5.890 4.347 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.589 6.616 4.085 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.979 6.080 6.940 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.155 7.831 7.206 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.704 7.104 5.678 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.379 4.258 4.683 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.655 5.289 5.939 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.253 4.553 6.205 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.718 9.869 7.239 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.223 10.879 8.159 1.00 0.17 C ATOM 1420 C ASP A 98 -4.262 12.269 7.511 1.00 0.17 C ATOM 1421 O ASP A 98 -5.211 13.029 7.707 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.334 10.902 9.408 1.00 0.21 C ATOM 1423 CG ASP A 98 -3.655 12.044 10.356 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -4.575 11.889 11.189 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -3.011 13.108 10.251 1.00 0.98 O ATOM 0 H ASP A 98 -2.954 9.309 7.617 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.246 10.620 8.431 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.443 9.957 9.940 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.291 10.977 9.101 1.00 0.21 H new ATOM 1430 N SER A 99 -3.239 12.585 6.721 1.00 0.15 N ATOM 1431 CA SER A 99 -3.129 13.900 6.095 1.00 0.16 C ATOM 1432 C SER A 99 -3.989 14.009 4.833 1.00 0.16 C ATOM 1433 O SER A 99 -4.927 14.810 4.776 1.00 0.20 O ATOM 1434 CB SER A 99 -1.669 14.201 5.766 1.00 0.18 C ATOM 1435 OG SER A 99 -1.528 15.459 5.128 1.00 0.70 O ATOM 0 H SER A 99 -2.474 11.948 6.499 1.00 0.15 H new ATOM 0 HA SER A 99 -3.501 14.636 6.807 1.00 0.16 H new ATOM 0 HB2 SER A 99 -1.079 14.189 6.682 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.272 13.418 5.120 1.00 0.18 H new ATOM 0 HG SER A 99 -0.582 15.622 4.932 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.680 13.189 3.828 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.352 13.251 2.540 1.00 0.16 C ATOM 1443 C ASP A 100 -5.806 12.832 2.626 1.00 0.16 C ATOM 1444 O ASP A 100 -6.537 12.964 1.664 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.633 12.410 1.512 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.913 13.256 0.481 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -3.580 14.004 -0.263 1.00 0.72 O ATOM 1448 OD2 ASP A 100 -1.668 13.187 0.408 1.00 0.57 O ATOM 0 H ASP A 100 -2.960 12.469 3.888 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.327 14.295 2.228 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -2.914 11.762 2.014 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.351 11.761 1.010 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.225 12.298 3.760 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.643 12.033 3.992 1.00 0.16 C ATOM 1455 C LYS A 101 -8.475 13.304 3.782 1.00 0.20 C ATOM 1456 O LYS A 101 -9.678 13.244 3.537 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.855 11.520 5.410 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.192 10.042 5.508 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.564 9.404 6.742 1.00 0.17 C ATOM 1460 CE LYS A 101 -7.810 10.213 7.998 1.00 0.26 C ATOM 1461 NZ LYS A 101 -7.706 9.392 9.235 1.00 1.26 N ATOM 0 H LYS A 101 -5.612 12.039 4.533 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.968 11.276 3.278 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.952 11.712 5.990 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.659 12.093 5.873 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.274 9.917 5.544 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.841 9.528 4.613 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.968 8.400 6.874 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.490 9.297 6.586 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -7.090 11.030 8.047 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -8.801 10.664 7.947 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -7.883 9.992 10.066 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -8.410 8.627 9.204 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -6.752 8.982 9.300 1.00 1.26 H new ATOM 1475 N SER A 102 -7.838 14.459 3.910 1.00 0.23 N ATOM 1476 CA SER A 102 -8.487 15.721 3.592 1.00 0.28 C ATOM 1477 C SER A 102 -8.715 15.814 2.081 1.00 0.30 C ATOM 1478 O SER A 102 -9.689 16.403 1.615 1.00 0.38 O ATOM 1479 CB SER A 102 -7.632 16.893 4.081 1.00 0.36 C ATOM 1480 OG SER A 102 -8.325 18.122 3.952 1.00 1.23 O ATOM 0 H SER A 102 -6.874 14.548 4.231 1.00 0.23 H new ATOM 0 HA SER A 102 -9.451 15.768 4.098 1.00 0.28 H new ATOM 0 HB2 SER A 102 -7.357 16.735 5.124 1.00 0.36 H new ATOM 0 HB3 SER A 102 -6.705 16.934 3.509 1.00 0.36 H new ATOM 0 HG SER A 102 -7.757 18.853 4.273 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.811 15.193 1.335 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.897 15.121 -0.119 1.00 0.29 C ATOM 1488 C ASN A 103 -8.891 14.041 -0.514 1.00 0.28 C ATOM 1489 O ASN A 103 -9.701 14.222 -1.423 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.520 14.792 -0.705 1.00 0.33 C ATOM 1491 CG ASN A 103 -6.370 15.196 -2.158 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -7.349 15.289 -2.902 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -5.130 15.408 -2.579 1.00 0.93 N ATOM 0 H ASN A 103 -6.993 14.723 1.723 1.00 0.27 H new ATOM 0 HA ASN A 103 -8.231 16.083 -0.509 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.753 15.294 -0.115 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -6.341 13.721 -0.614 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -4.958 15.659 -3.553 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -4.349 15.320 -1.929 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.834 12.921 0.195 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.718 11.803 -0.065 1.00 0.22 C ATOM 1502 C TYR A 104 -10.130 11.177 1.244 1.00 0.21 C ATOM 1503 O TYR A 104 -9.284 10.755 2.021 1.00 0.20 O ATOM 1504 CB TYR A 104 -9.026 10.722 -0.908 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.664 11.098 -1.449 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.587 11.240 -0.592 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.459 11.333 -2.808 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.342 11.599 -1.060 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.218 11.694 -3.287 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.165 11.752 -2.477 1.00 0.22 C ATOM 1511 OH TYR A 104 -3.922 12.190 -2.887 1.00 0.30 O ATOM 0 H TYR A 104 -8.177 12.767 0.960 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.581 12.184 -0.611 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.922 9.822 -0.301 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.674 10.468 -1.747 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.725 11.066 0.465 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.285 11.231 -3.496 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.520 11.761 -0.379 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.099 11.933 -4.334 1.00 0.27 H new ATOM 0 HH TYR A 104 -3.921 12.306 -3.860 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.417 11.180 1.508 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.985 10.413 2.599 1.00 0.31 C ATOM 1523 C CYS A 105 -13.498 10.324 2.464 1.00 0.45 C ATOM 1524 O CYS A 105 -14.184 11.344 2.367 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.579 11.026 3.938 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.673 10.631 5.327 1.00 0.38 S ATOM 0 H CYS A 105 -12.102 11.714 0.973 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.593 9.397 2.558 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.571 10.691 4.183 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.536 12.109 3.826 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.502 9.390 5.675 1.00 0.38 H new