USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 626 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 63 CYS SG : rot 169:sc= 0.389 USER MOD Set 1.2: A 66 CYS SG : rot -63:sc= -2.52! USER MOD Set 1.3: A 68 SER OG : rot -74:sc= 1.15 USER MOD Set 1.4: A 89 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 90 CYS SG : rot -126:sc= 0.545 USER MOD Set 1.6: A 93 HIS : no HE2:sc= -2.66! C(o=-3.1!,f=-4.9!) USER MOD Set 2.1: A 52 CYS SG : rot 156:sc= 1.42 USER MOD Set 2.2: A 55 CYS SG : rot -49:sc= 0.873 USER MOD Set 2.3: A 71 CYS SG : rot -138:sc= 1.11 USER MOD Set 2.4: A 74 HIS : no HE2:sc= -1.77 K(o=1.6,f=0.39) USER MOD Set 3.1: A 21 CYS SG : rot 143:sc= 1.44 USER MOD Set 3.2: A 26 CYS SG : rot -110:sc= 0.0551 USER MOD Set 3.3: A 30 TYR OH : rot -143:sc= 0.0492 USER MOD Set 3.4: A 47 CYS SG : rot -124:sc= -1.6! USER MOD Set 3.5: A 50 HIS : no HD1:sc= -0.438 K(o=-0.49,f=0.36) USER MOD Set 4.1: A 9 CYS SG : rot -142:sc= -0.386 USER MOD Set 4.2: A 12 CYS SG : rot 135:sc= 0.671 USER MOD Set 4.3: A 31 HIS : no HD1:sc= -0.665 K(o=-4.4,f=-5) USER MOD Set 4.4: A 34 CYS SG : rot 10:sc= -4.02! USER MOD Single : A 11 SER OG : rot 180:sc= -0.464 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.0324 (180deg=-0.225) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 1.3 (180deg=1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.4) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0196) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 1.02 (180deg=0.418) USER MOD Single : A 51 GLN : amide:sc= -0.0255 K(o=-0.025,f=-0.53) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc=-0.000937 (180deg=-0.102) USER MOD Single : A 61 SER OG : rot 130:sc= -0.0604 USER MOD Single : A 65 MET CE :methyl 140:sc= -0.108 (180deg=-0.672) USER MOD Single : A 69 SER OG : rot 44:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.917 K(o=-0.92,f=-0.33) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 77:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 91 N ASP A 7 9.437 -9.944 3.084 1.00 0.54 N ATOM 92 CA ASP A 7 10.354 -9.978 1.949 1.00 0.53 C ATOM 93 C ASP A 7 9.615 -10.191 0.640 1.00 0.46 C ATOM 94 O ASP A 7 9.956 -11.073 -0.148 1.00 0.55 O ATOM 95 CB ASP A 7 11.417 -11.061 2.138 1.00 0.71 C ATOM 96 CG ASP A 7 12.369 -10.746 3.273 1.00 1.68 C ATOM 97 OD1 ASP A 7 12.259 -11.376 4.346 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.232 -9.859 3.103 1.00 2.34 O ATOM 0 HA ASP A 7 10.848 -9.007 1.903 1.00 0.53 H new ATOM 0 HB2 ASP A 7 10.928 -12.016 2.332 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.983 -11.175 1.214 1.00 0.71 H new ATOM 103 N GLU A 8 8.600 -9.378 0.416 1.00 0.37 N ATOM 104 CA GLU A 8 7.839 -9.418 -0.818 1.00 0.34 C ATOM 105 C GLU A 8 7.235 -8.050 -1.096 1.00 0.28 C ATOM 106 O GLU A 8 6.846 -7.339 -0.170 1.00 0.29 O ATOM 107 CB GLU A 8 6.736 -10.473 -0.720 1.00 0.42 C ATOM 108 CG GLU A 8 5.885 -10.588 -1.972 1.00 0.46 C ATOM 109 CD GLU A 8 4.799 -11.634 -1.839 1.00 0.60 C ATOM 110 OE1 GLU A 8 5.109 -12.835 -1.984 1.00 0.71 O ATOM 111 OE2 GLU A 8 3.634 -11.258 -1.591 1.00 0.69 O ATOM 0 H GLU A 8 8.281 -8.674 1.081 1.00 0.37 H new ATOM 0 HA GLU A 8 8.505 -9.684 -1.639 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.190 -11.441 -0.510 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.091 -10.234 0.126 1.00 0.42 H new ATOM 0 HG2 GLU A 8 5.430 -9.621 -2.188 1.00 0.46 H new ATOM 0 HG3 GLU A 8 6.523 -10.837 -2.820 1.00 0.46 H new ATOM 118 N CYS A 9 7.128 -7.699 -2.368 1.00 0.27 N ATOM 119 CA CYS A 9 6.586 -6.410 -2.756 1.00 0.25 C ATOM 120 C CYS A 9 5.073 -6.475 -2.766 1.00 0.32 C ATOM 121 O CYS A 9 4.488 -7.233 -3.535 1.00 0.38 O ATOM 122 CB CYS A 9 7.070 -6.030 -4.151 1.00 0.26 C ATOM 123 SG CYS A 9 6.294 -4.547 -4.825 1.00 0.30 S ATOM 0 H CYS A 9 7.410 -8.291 -3.149 1.00 0.27 H new ATOM 0 HA CYS A 9 6.924 -5.662 -2.039 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.149 -5.880 -4.120 1.00 0.26 H new ATOM 0 HB3 CYS A 9 6.883 -6.864 -4.828 1.00 0.26 H new ATOM 0 HG CYS A 9 6.088 -4.706 -6.099 1.00 0.30 H new ATOM 128 N PHE A 10 4.447 -5.673 -1.923 1.00 0.33 N ATOM 129 CA PHE A 10 2.995 -5.669 -1.806 1.00 0.41 C ATOM 130 C PHE A 10 2.341 -5.142 -3.087 1.00 0.48 C ATOM 131 O PHE A 10 1.167 -5.404 -3.349 1.00 0.57 O ATOM 132 CB PHE A 10 2.571 -4.843 -0.584 1.00 0.41 C ATOM 133 CG PHE A 10 1.086 -4.787 -0.360 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.385 -3.609 -0.568 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.391 -5.913 0.054 1.00 0.50 C ATOM 136 CE1 PHE A 10 -0.979 -3.558 -0.368 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.974 -5.864 0.255 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.659 -4.685 0.044 1.00 0.59 C ATOM 0 H PHE A 10 4.921 -5.013 -1.306 1.00 0.33 H new ATOM 0 HA PHE A 10 2.653 -6.694 -1.666 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.045 -5.261 0.304 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.948 -3.827 -0.699 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.912 -2.723 -0.890 1.00 0.50 H new ATOM 0 HD2 PHE A 10 0.923 -6.838 0.221 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.515 -2.635 -0.534 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.505 -6.748 0.577 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.727 -4.645 0.201 1.00 0.59 H new ATOM 148 N SER A 11 3.107 -4.417 -3.892 1.00 0.46 N ATOM 149 CA SER A 11 2.601 -3.897 -5.155 1.00 0.54 C ATOM 150 C SER A 11 2.541 -4.996 -6.216 1.00 0.57 C ATOM 151 O SER A 11 1.539 -5.144 -6.914 1.00 0.69 O ATOM 152 CB SER A 11 3.490 -2.755 -5.651 1.00 0.54 C ATOM 153 OG SER A 11 3.698 -1.789 -4.637 1.00 0.96 O ATOM 0 H SER A 11 4.078 -4.176 -3.693 1.00 0.46 H new ATOM 0 HA SER A 11 1.592 -3.523 -4.983 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.450 -3.154 -5.979 1.00 0.54 H new ATOM 0 HB3 SER A 11 3.029 -2.282 -6.518 1.00 0.54 H new ATOM 0 HG SER A 11 4.271 -1.072 -4.981 1.00 0.96 H new ATOM 159 N CYS A 12 3.607 -5.780 -6.311 1.00 0.48 N ATOM 160 CA CYS A 12 3.750 -6.729 -7.409 1.00 0.53 C ATOM 161 C CYS A 12 3.420 -8.158 -6.986 1.00 0.55 C ATOM 162 O CYS A 12 2.995 -8.973 -7.803 1.00 0.62 O ATOM 163 CB CYS A 12 5.178 -6.679 -7.959 1.00 0.51 C ATOM 164 SG CYS A 12 5.710 -5.037 -8.492 1.00 0.49 S ATOM 0 H CYS A 12 4.381 -5.779 -5.646 1.00 0.48 H new ATOM 0 HA CYS A 12 3.038 -6.438 -8.181 1.00 0.53 H new ATOM 0 HB2 CYS A 12 5.863 -7.039 -7.192 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.255 -7.365 -8.803 1.00 0.51 H new ATOM 0 HG CYS A 12 6.911 -4.805 -8.051 1.00 0.49 H new ATOM 169 N GLY A 13 3.609 -8.458 -5.708 1.00 0.51 N ATOM 170 CA GLY A 13 3.465 -9.822 -5.242 1.00 0.55 C ATOM 171 C GLY A 13 4.735 -10.615 -5.476 1.00 0.54 C ATOM 172 O GLY A 13 4.756 -11.838 -5.345 1.00 0.61 O ATOM 0 H GLY A 13 3.859 -7.782 -4.987 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.223 -9.823 -4.179 1.00 0.55 H new ATOM 0 HA3 GLY A 13 2.633 -10.300 -5.759 1.00 0.55 H new ATOM 176 N ASP A 14 5.800 -9.902 -5.824 1.00 0.49 N ATOM 177 CA ASP A 14 7.083 -10.517 -6.135 1.00 0.49 C ATOM 178 C ASP A 14 8.163 -9.979 -5.214 1.00 0.38 C ATOM 179 O ASP A 14 8.039 -8.879 -4.678 1.00 0.32 O ATOM 180 CB ASP A 14 7.482 -10.232 -7.585 1.00 0.55 C ATOM 181 CG ASP A 14 6.532 -10.843 -8.592 1.00 0.72 C ATOM 182 OD1 ASP A 14 5.832 -10.080 -9.290 1.00 0.81 O ATOM 183 OD2 ASP A 14 6.479 -12.086 -8.691 1.00 0.85 O ATOM 0 H ASP A 14 5.798 -8.885 -5.898 1.00 0.49 H new ATOM 0 HA ASP A 14 6.981 -11.593 -5.993 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.522 -9.154 -7.740 1.00 0.55 H new ATOM 0 HB3 ASP A 14 8.486 -10.617 -7.762 1.00 0.55 H new ATOM 188 N ALA A 15 9.216 -10.753 -5.036 1.00 0.41 N ATOM 189 CA ALA A 15 10.348 -10.337 -4.229 1.00 0.36 C ATOM 190 C ALA A 15 11.508 -9.930 -5.128 1.00 0.40 C ATOM 191 O ALA A 15 11.581 -10.354 -6.279 1.00 0.47 O ATOM 192 CB ALA A 15 10.764 -11.450 -3.288 1.00 0.42 C ATOM 0 H ALA A 15 9.312 -11.683 -5.444 1.00 0.41 H new ATOM 0 HA ALA A 15 10.055 -9.476 -3.628 1.00 0.36 H new ATOM 0 HB1 ALA A 15 11.614 -11.122 -2.690 1.00 0.42 H new ATOM 0 HB2 ALA A 15 9.932 -11.700 -2.630 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.045 -12.330 -3.867 1.00 0.42 H new ATOM 198 N GLY A 16 12.404 -9.106 -4.607 1.00 0.40 N ATOM 199 CA GLY A 16 13.502 -8.602 -5.410 1.00 0.48 C ATOM 200 C GLY A 16 14.207 -7.437 -4.747 1.00 0.49 C ATOM 201 O GLY A 16 14.401 -7.439 -3.531 1.00 1.04 O ATOM 0 H GLY A 16 12.392 -8.776 -3.642 1.00 0.40 H new ATOM 0 HA2 GLY A 16 14.218 -9.404 -5.588 1.00 0.48 H new ATOM 0 HA3 GLY A 16 13.125 -8.290 -6.384 1.00 0.48 H new ATOM 205 N GLN A 17 14.594 -6.442 -5.537 1.00 0.52 N ATOM 206 CA GLN A 17 15.245 -5.251 -5.004 1.00 0.49 C ATOM 207 C GLN A 17 14.219 -4.383 -4.286 1.00 0.39 C ATOM 208 O GLN A 17 13.559 -3.542 -4.896 1.00 0.41 O ATOM 209 CB GLN A 17 15.918 -4.464 -6.129 1.00 0.61 C ATOM 210 CG GLN A 17 16.803 -3.332 -5.636 1.00 0.67 C ATOM 211 CD GLN A 17 17.441 -2.557 -6.771 1.00 0.93 C ATOM 212 OE1 GLN A 17 16.890 -1.565 -7.249 1.00 1.56 O ATOM 213 NE2 GLN A 17 18.602 -3.007 -7.217 1.00 1.52 N ATOM 0 H GLN A 17 14.468 -6.436 -6.549 1.00 0.52 H new ATOM 0 HA GLN A 17 16.013 -5.553 -4.292 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.518 -5.147 -6.730 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.149 -4.054 -6.784 1.00 0.61 H new ATOM 0 HG2 GLN A 17 16.210 -2.652 -5.024 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.584 -3.739 -4.994 1.00 0.67 H new ATOM 0 HE21 GLN A 17 19.026 -3.833 -6.794 1.00 1.52 H new ATOM 0 HE22 GLN A 17 19.074 -2.528 -7.984 1.00 1.52 H new ATOM 222 N LEU A 18 14.085 -4.601 -2.988 1.00 0.34 N ATOM 223 CA LEU A 18 13.013 -3.993 -2.223 1.00 0.27 C ATOM 224 C LEU A 18 13.510 -2.859 -1.327 1.00 0.31 C ATOM 225 O LEU A 18 14.611 -2.911 -0.775 1.00 0.42 O ATOM 226 CB LEU A 18 12.323 -5.067 -1.379 1.00 0.24 C ATOM 227 CG LEU A 18 11.728 -6.225 -2.177 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.503 -7.439 -1.296 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.427 -5.802 -2.830 1.00 0.17 C ATOM 0 H LEU A 18 14.708 -5.196 -2.442 1.00 0.34 H new ATOM 0 HA LEU A 18 12.305 -3.556 -2.927 1.00 0.27 H new ATOM 0 HB2 LEU A 18 13.044 -5.468 -0.667 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.528 -4.598 -0.799 1.00 0.24 H new ATOM 0 HG LEU A 18 12.441 -6.499 -2.955 1.00 0.21 H new ATOM 0 HD11 LEU A 18 11.079 -8.247 -1.892 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.454 -7.762 -0.871 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.815 -7.182 -0.491 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.015 -6.638 -3.395 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.716 -5.498 -2.062 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.613 -4.965 -3.503 1.00 0.17 H new ATOM 241 N VAL A 19 12.678 -1.837 -1.203 1.00 0.29 N ATOM 242 CA VAL A 19 12.907 -0.730 -0.289 1.00 0.32 C ATOM 243 C VAL A 19 11.781 -0.708 0.745 1.00 0.30 C ATOM 244 O VAL A 19 10.601 -0.771 0.389 1.00 0.27 O ATOM 245 CB VAL A 19 12.991 0.625 -1.044 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.787 0.833 -1.957 1.00 0.34 C ATOM 247 CG2 VAL A 19 13.125 1.786 -0.068 1.00 0.42 C ATOM 0 H VAL A 19 11.815 -1.752 -1.740 1.00 0.29 H new ATOM 0 HA VAL A 19 13.865 -0.873 0.211 1.00 0.32 H new ATOM 0 HB VAL A 19 13.884 0.594 -1.669 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.880 1.791 -2.469 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.746 0.030 -2.693 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.874 0.826 -1.362 1.00 0.34 H new ATOM 0 HG21 VAL A 19 13.182 2.723 -0.622 1.00 0.42 H new ATOM 0 HG22 VAL A 19 12.259 1.808 0.593 1.00 0.42 H new ATOM 0 HG23 VAL A 19 14.031 1.660 0.525 1.00 0.42 H new ATOM 257 N SER A 20 12.138 -0.664 2.020 1.00 0.34 N ATOM 258 CA SER A 20 11.149 -0.811 3.077 1.00 0.33 C ATOM 259 C SER A 20 10.706 0.535 3.635 1.00 0.33 C ATOM 260 O SER A 20 11.444 1.526 3.600 1.00 0.35 O ATOM 261 CB SER A 20 11.698 -1.696 4.200 1.00 0.39 C ATOM 262 OG SER A 20 10.668 -2.096 5.095 1.00 0.47 O ATOM 0 H SER A 20 13.095 -0.529 2.346 1.00 0.34 H new ATOM 0 HA SER A 20 10.272 -1.288 2.639 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.172 -2.579 3.771 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.469 -1.154 4.748 1.00 0.39 H new ATOM 0 HG SER A 20 11.048 -2.661 5.800 1.00 0.47 H new ATOM 268 N CYS A 21 9.483 0.544 4.148 1.00 0.33 N ATOM 269 CA CYS A 21 8.881 1.733 4.724 1.00 0.35 C ATOM 270 C CYS A 21 9.478 1.986 6.103 1.00 0.40 C ATOM 271 O CYS A 21 9.649 1.053 6.888 1.00 0.43 O ATOM 272 CB CYS A 21 7.371 1.526 4.831 1.00 0.37 C ATOM 273 SG CYS A 21 6.394 3.038 4.944 1.00 0.34 S ATOM 0 H CYS A 21 8.880 -0.278 4.175 1.00 0.33 H new ATOM 0 HA CYS A 21 9.080 2.597 4.090 1.00 0.35 H new ATOM 0 HB2 CYS A 21 7.036 0.960 3.962 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.166 0.913 5.709 1.00 0.37 H new ATOM 0 HG CYS A 21 5.284 2.888 4.284 1.00 0.34 H new ATOM 278 N LYS A 22 9.788 3.236 6.403 1.00 0.52 N ATOM 279 CA LYS A 22 10.446 3.569 7.658 1.00 0.61 C ATOM 280 C LYS A 22 9.469 4.236 8.620 1.00 0.63 C ATOM 281 O LYS A 22 9.838 5.110 9.407 1.00 0.78 O ATOM 282 CB LYS A 22 11.654 4.464 7.381 1.00 0.74 C ATOM 283 CG LYS A 22 12.701 3.783 6.512 1.00 1.35 C ATOM 284 CD LYS A 22 13.816 4.731 6.113 1.00 1.65 C ATOM 285 CE LYS A 22 14.865 4.021 5.271 1.00 2.25 C ATOM 286 NZ LYS A 22 14.287 3.426 4.032 1.00 2.79 N ATOM 0 H LYS A 22 9.596 4.035 5.799 1.00 0.52 H new ATOM 0 HA LYS A 22 10.795 2.653 8.134 1.00 0.61 H new ATOM 0 HB2 LYS A 22 11.319 5.378 6.891 1.00 0.74 H new ATOM 0 HB3 LYS A 22 12.108 4.758 8.327 1.00 0.74 H new ATOM 0 HG2 LYS A 22 13.123 2.935 7.051 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.225 3.386 5.615 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.402 5.569 5.552 1.00 1.65 H new ATOM 0 HD3 LYS A 22 14.282 5.145 7.007 1.00 1.65 H new ATOM 0 HE2 LYS A 22 15.650 4.727 5.000 1.00 2.25 H new ATOM 0 HE3 LYS A 22 15.334 3.236 5.864 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 15.056 3.149 3.388 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 13.724 2.587 4.280 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 13.677 4.126 3.563 1.00 2.79 H new ATOM 300 N LYS A 23 8.218 3.806 8.546 1.00 0.60 N ATOM 301 CA LYS A 23 7.168 4.334 9.399 1.00 0.66 C ATOM 302 C LYS A 23 6.625 3.219 10.294 1.00 0.65 C ATOM 303 O LYS A 23 6.375 2.109 9.819 1.00 0.61 O ATOM 304 CB LYS A 23 6.046 4.924 8.534 1.00 0.75 C ATOM 305 CG LYS A 23 5.044 5.770 9.308 1.00 1.23 C ATOM 306 CD LYS A 23 4.034 6.436 8.385 1.00 1.50 C ATOM 307 CE LYS A 23 3.125 7.392 9.142 1.00 1.95 C ATOM 308 NZ LYS A 23 2.258 8.168 8.220 1.00 2.27 N ATOM 0 H LYS A 23 7.905 3.085 7.896 1.00 0.60 H new ATOM 0 HA LYS A 23 7.573 5.125 10.031 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.491 5.535 7.748 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.514 4.109 8.042 1.00 0.75 H new ATOM 0 HG2 LYS A 23 4.519 5.143 10.029 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.575 6.533 9.877 1.00 1.23 H new ATOM 0 HD2 LYS A 23 4.561 6.979 7.601 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.431 5.672 7.894 1.00 1.50 H new ATOM 0 HE2 LYS A 23 2.504 6.829 9.839 1.00 1.95 H new ATOM 0 HE3 LYS A 23 3.730 8.077 9.736 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 1.994 9.069 8.668 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 2.773 8.358 7.337 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 1.399 7.621 8.009 1.00 2.27 H new ATOM 322 N PRO A 24 6.452 3.491 11.601 1.00 0.77 N ATOM 323 CA PRO A 24 5.964 2.494 12.560 1.00 0.83 C ATOM 324 C PRO A 24 4.574 1.975 12.203 1.00 0.80 C ATOM 325 O PRO A 24 3.674 2.753 11.869 1.00 0.86 O ATOM 326 CB PRO A 24 5.932 3.245 13.898 1.00 1.01 C ATOM 327 CG PRO A 24 5.941 4.688 13.534 1.00 1.18 C ATOM 328 CD PRO A 24 6.722 4.784 12.251 1.00 0.93 C ATOM 0 HA PRO A 24 6.602 1.611 12.577 1.00 0.83 H new ATOM 0 HB2 PRO A 24 5.042 2.989 14.472 1.00 1.01 H new ATOM 0 HB3 PRO A 24 6.794 2.989 14.514 1.00 1.01 H new ATOM 0 HG2 PRO A 24 4.926 5.064 13.403 1.00 1.18 H new ATOM 0 HG3 PRO A 24 6.404 5.286 14.319 1.00 1.18 H new ATOM 0 HD2 PRO A 24 6.389 5.621 11.638 1.00 0.93 H new ATOM 0 HD3 PRO A 24 7.786 4.928 12.436 1.00 0.93 H new ATOM 336 N GLY A 25 4.405 0.661 12.284 1.00 0.76 N ATOM 337 CA GLY A 25 3.142 0.049 11.927 1.00 0.75 C ATOM 338 C GLY A 25 3.135 -0.491 10.509 1.00 0.65 C ATOM 339 O GLY A 25 2.152 -1.091 10.074 1.00 0.83 O ATOM 0 H GLY A 25 5.124 0.007 12.592 1.00 0.76 H new ATOM 0 HA2 GLY A 25 2.927 -0.763 12.622 1.00 0.75 H new ATOM 0 HA3 GLY A 25 2.343 0.783 12.036 1.00 0.75 H new ATOM 343 N CYS A 26 4.225 -0.281 9.785 1.00 0.48 N ATOM 344 CA CYS A 26 4.307 -0.717 8.403 1.00 0.39 C ATOM 345 C CYS A 26 5.394 -1.782 8.237 1.00 0.34 C ATOM 346 O CYS A 26 6.588 -1.477 8.267 1.00 0.40 O ATOM 347 CB CYS A 26 4.607 0.484 7.514 1.00 0.44 C ATOM 348 SG CYS A 26 4.007 0.344 5.818 1.00 0.35 S ATOM 0 H CYS A 26 5.062 0.188 10.133 1.00 0.48 H new ATOM 0 HA CYS A 26 3.354 -1.157 8.111 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.167 1.372 7.967 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.686 0.640 7.491 1.00 0.44 H new ATOM 0 HG CYS A 26 5.017 0.210 5.010 1.00 0.35 H new ATOM 353 N PRO A 27 4.989 -3.049 8.075 1.00 0.37 N ATOM 354 CA PRO A 27 5.907 -4.164 7.860 1.00 0.45 C ATOM 355 C PRO A 27 6.115 -4.470 6.379 1.00 0.45 C ATOM 356 O PRO A 27 6.737 -5.471 6.017 1.00 0.66 O ATOM 357 CB PRO A 27 5.154 -5.306 8.534 1.00 0.57 C ATOM 358 CG PRO A 27 3.715 -5.020 8.244 1.00 0.57 C ATOM 359 CD PRO A 27 3.589 -3.515 8.137 1.00 0.44 C ATOM 0 HA PRO A 27 6.908 -3.975 8.247 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.456 -6.273 8.133 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.346 -5.331 9.607 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.403 -5.502 7.318 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.075 -5.408 9.037 1.00 0.57 H new ATOM 0 HD2 PRO A 27 3.030 -3.222 7.248 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.065 -3.095 8.996 1.00 0.44 H new ATOM 367 N LYS A 28 5.603 -3.593 5.528 1.00 0.30 N ATOM 368 CA LYS A 28 5.565 -3.855 4.095 1.00 0.30 C ATOM 369 C LYS A 28 6.806 -3.324 3.387 1.00 0.27 C ATOM 370 O LYS A 28 7.489 -2.421 3.880 1.00 0.31 O ATOM 371 CB LYS A 28 4.293 -3.255 3.477 1.00 0.32 C ATOM 372 CG LYS A 28 3.214 -4.290 3.161 1.00 0.42 C ATOM 373 CD LYS A 28 2.852 -5.133 4.378 1.00 0.52 C ATOM 374 CE LYS A 28 1.736 -6.116 4.064 1.00 0.70 C ATOM 375 NZ LYS A 28 1.481 -7.049 5.193 1.00 1.00 N ATOM 0 H LYS A 28 5.208 -2.694 5.804 1.00 0.30 H new ATOM 0 HA LYS A 28 5.551 -4.936 3.958 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.882 -2.513 4.162 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.559 -2.729 2.560 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.322 -3.782 2.794 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.562 -4.942 2.360 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.732 -5.678 4.719 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.544 -4.481 5.195 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.823 -5.567 3.835 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.996 -6.688 3.173 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.713 -7.702 4.937 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.344 -7.592 5.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.207 -6.506 6.037 1.00 1.00 H new ATOM 389 N VAL A 29 7.088 -3.902 2.226 1.00 0.23 N ATOM 390 CA VAL A 29 8.237 -3.523 1.426 1.00 0.20 C ATOM 391 C VAL A 29 7.841 -3.514 -0.055 1.00 0.18 C ATOM 392 O VAL A 29 6.889 -4.195 -0.451 1.00 0.21 O ATOM 393 CB VAL A 29 9.418 -4.487 1.676 1.00 0.22 C ATOM 394 CG1 VAL A 29 9.236 -5.793 0.935 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.739 -3.847 1.319 1.00 0.44 C ATOM 0 H VAL A 29 6.524 -4.646 1.816 1.00 0.23 H new ATOM 0 HA VAL A 29 8.562 -2.523 1.713 1.00 0.20 H new ATOM 0 HB VAL A 29 9.430 -4.708 2.743 1.00 0.22 H new ATOM 0 HG11 VAL A 29 10.086 -6.446 1.134 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.319 -6.277 1.271 1.00 0.31 H new ATOM 0 HG13 VAL A 29 9.172 -5.598 -0.135 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.548 -4.553 1.507 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.736 -3.571 0.265 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.887 -2.955 1.927 1.00 0.44 H new ATOM 405 N TYR A 30 8.545 -2.730 -0.862 1.00 0.19 N ATOM 406 CA TYR A 30 8.156 -2.510 -2.256 1.00 0.20 C ATOM 407 C TYR A 30 9.395 -2.347 -3.127 1.00 0.20 C ATOM 408 O TYR A 30 10.494 -2.183 -2.615 1.00 0.21 O ATOM 409 CB TYR A 30 7.308 -1.238 -2.374 1.00 0.29 C ATOM 410 CG TYR A 30 6.132 -1.164 -1.420 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.881 -1.640 -1.789 1.00 0.44 C ATOM 412 CD2 TYR A 30 6.274 -0.611 -0.152 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.809 -1.571 -0.922 1.00 0.55 C ATOM 414 CE2 TYR A 30 5.207 -0.540 0.719 1.00 0.57 C ATOM 415 CZ TYR A 30 3.977 -1.022 0.330 1.00 0.60 C ATOM 416 OH TYR A 30 2.912 -0.956 1.199 1.00 0.72 O ATOM 0 H TYR A 30 9.390 -2.234 -0.578 1.00 0.19 H new ATOM 0 HA TYR A 30 7.579 -3.373 -2.589 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.950 -0.374 -2.204 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.934 -1.161 -3.395 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.744 -2.071 -2.770 1.00 0.44 H new ATOM 0 HD2 TYR A 30 7.237 -0.230 0.156 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.842 -1.946 -1.224 1.00 0.55 H new ATOM 0 HE2 TYR A 30 5.335 -0.109 1.701 1.00 0.57 H new ATOM 0 HH TYR A 30 2.955 -0.118 1.706 1.00 0.72 H new ATOM 426 N HIS A 31 9.218 -2.396 -4.441 1.00 0.23 N ATOM 427 CA HIS A 31 10.308 -2.086 -5.363 1.00 0.26 C ATOM 428 C HIS A 31 10.271 -0.602 -5.660 1.00 0.32 C ATOM 429 O HIS A 31 9.199 -0.018 -5.803 1.00 0.35 O ATOM 430 CB HIS A 31 10.187 -2.844 -6.696 1.00 0.28 C ATOM 431 CG HIS A 31 10.058 -4.324 -6.576 1.00 0.26 C ATOM 432 ND1 HIS A 31 8.949 -4.980 -7.041 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.919 -5.224 -6.053 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.144 -6.261 -6.786 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.334 -6.463 -6.188 1.00 0.28 N ATOM 0 H HIS A 31 8.338 -2.645 -4.892 1.00 0.23 H new ATOM 0 HA HIS A 31 11.241 -2.389 -4.888 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.320 -2.462 -7.235 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.064 -2.620 -7.304 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.882 -5.012 -5.613 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.441 -7.045 -7.026 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.725 -7.358 -5.893 1.00 0.28 H new ATOM 443 N ALA A 32 11.434 0.007 -5.761 1.00 0.38 N ATOM 444 CA ALA A 32 11.524 1.414 -6.088 1.00 0.45 C ATOM 445 C ALA A 32 11.010 1.664 -7.503 1.00 0.48 C ATOM 446 O ALA A 32 10.461 2.725 -7.800 1.00 0.55 O ATOM 447 CB ALA A 32 12.955 1.897 -5.934 1.00 0.53 C ATOM 0 H ALA A 32 12.334 -0.453 -5.621 1.00 0.38 H new ATOM 0 HA ALA A 32 10.898 1.979 -5.397 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.010 2.957 -6.183 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.280 1.749 -4.904 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.604 1.333 -6.604 1.00 0.53 H new ATOM 453 N ASP A 33 11.190 0.667 -8.363 1.00 0.48 N ATOM 454 CA ASP A 33 10.783 0.767 -9.762 1.00 0.55 C ATOM 455 C ASP A 33 9.261 0.858 -9.910 1.00 0.54 C ATOM 456 O ASP A 33 8.754 1.732 -10.616 1.00 0.62 O ATOM 457 CB ASP A 33 11.320 -0.425 -10.560 1.00 0.60 C ATOM 458 CG ASP A 33 10.999 -0.321 -12.037 1.00 1.35 C ATOM 459 OD1 ASP A 33 9.980 -0.897 -12.471 1.00 1.90 O ATOM 460 OD2 ASP A 33 11.767 0.337 -12.770 1.00 2.01 O ATOM 0 H ASP A 33 11.618 -0.225 -8.115 1.00 0.48 H new ATOM 0 HA ASP A 33 11.209 1.688 -10.160 1.00 0.55 H new ATOM 0 HB2 ASP A 33 12.400 -0.490 -10.429 1.00 0.60 H new ATOM 0 HB3 ASP A 33 10.895 -1.347 -10.162 1.00 0.60 H new ATOM 465 N CYS A 34 8.529 -0.024 -9.231 1.00 0.48 N ATOM 466 CA CYS A 34 7.073 -0.060 -9.359 1.00 0.52 C ATOM 467 C CYS A 34 6.438 1.150 -8.680 1.00 0.56 C ATOM 468 O CYS A 34 5.315 1.544 -9.000 1.00 0.67 O ATOM 469 CB CYS A 34 6.515 -1.369 -8.776 1.00 0.50 C ATOM 470 SG CYS A 34 7.270 -1.858 -7.208 1.00 0.44 S ATOM 0 H CYS A 34 8.916 -0.718 -8.592 1.00 0.48 H new ATOM 0 HA CYS A 34 6.821 -0.021 -10.419 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.440 -1.261 -8.631 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.660 -2.169 -9.502 1.00 0.50 H new ATOM 0 HG CYS A 34 8.012 -0.888 -6.762 1.00 0.44 H new ATOM 475 N LEU A 35 7.176 1.750 -7.757 1.00 0.52 N ATOM 476 CA LEU A 35 6.710 2.934 -7.051 1.00 0.58 C ATOM 477 C LEU A 35 7.029 4.210 -7.824 1.00 0.67 C ATOM 478 O LEU A 35 6.641 5.307 -7.413 1.00 0.74 O ATOM 479 CB LEU A 35 7.362 3.008 -5.677 1.00 0.55 C ATOM 480 CG LEU A 35 7.076 1.841 -4.741 1.00 0.49 C ATOM 481 CD1 LEU A 35 7.908 1.988 -3.487 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.601 1.768 -4.386 1.00 0.54 C ATOM 0 H LEU A 35 8.105 1.434 -7.479 1.00 0.52 H new ATOM 0 HA LEU A 35 5.628 2.853 -6.950 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.441 3.084 -5.812 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.036 3.927 -5.190 1.00 0.55 H new ATOM 0 HG LEU A 35 7.341 0.915 -5.251 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.705 1.154 -2.816 1.00 0.48 H new ATOM 0 HD12 LEU A 35 8.966 1.992 -3.751 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.654 2.924 -2.990 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.429 0.925 -3.717 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.300 2.691 -3.891 1.00 0.54 H new ATOM 0 HD23 LEU A 35 5.014 1.635 -5.295 1.00 0.54 H new ATOM 494 N ASN A 36 7.753 4.051 -8.934 1.00 0.68 N ATOM 495 CA ASN A 36 8.168 5.174 -9.776 1.00 0.77 C ATOM 496 C ASN A 36 9.125 6.088 -9.006 1.00 0.78 C ATOM 497 O ASN A 36 9.103 7.310 -9.150 1.00 0.87 O ATOM 498 CB ASN A 36 6.947 5.963 -10.279 1.00 0.86 C ATOM 499 CG ASN A 36 7.290 7.006 -11.335 1.00 1.46 C ATOM 500 OD1 ASN A 36 6.693 8.081 -11.374 1.00 2.09 O ATOM 501 ND2 ASN A 36 8.229 6.690 -12.217 1.00 2.13 N ATOM 0 H ASN A 36 8.067 3.142 -9.274 1.00 0.68 H new ATOM 0 HA ASN A 36 8.692 4.777 -10.646 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.219 5.265 -10.692 1.00 0.86 H new ATOM 0 HB3 ASN A 36 6.470 6.458 -9.433 1.00 0.86 H new ATOM 0 HD21 ASN A 36 8.476 7.347 -12.957 1.00 2.13 H new ATOM 0 HD22 ASN A 36 8.704 5.790 -12.155 1.00 2.13 H new ATOM 508 N LEU A 37 9.968 5.483 -8.181 1.00 0.71 N ATOM 509 CA LEU A 37 10.931 6.234 -7.394 1.00 0.75 C ATOM 510 C LEU A 37 12.184 6.522 -8.210 1.00 0.83 C ATOM 511 O LEU A 37 13.222 5.884 -8.021 1.00 0.88 O ATOM 512 CB LEU A 37 11.308 5.479 -6.116 1.00 0.69 C ATOM 513 CG LEU A 37 10.204 5.364 -5.060 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.722 4.645 -3.824 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.675 6.737 -4.681 1.00 0.78 C ATOM 0 H LEU A 37 10.003 4.473 -8.041 1.00 0.71 H new ATOM 0 HA LEU A 37 10.464 7.178 -7.114 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.628 4.474 -6.391 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.167 5.974 -5.664 1.00 0.69 H new ATOM 0 HG LEU A 37 9.386 4.784 -5.488 1.00 0.69 H new ATOM 0 HD11 LEU A 37 9.925 4.572 -3.084 1.00 0.69 H new ATOM 0 HD12 LEU A 37 11.055 3.644 -4.098 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.558 5.203 -3.402 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.892 6.631 -3.930 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.487 7.341 -4.276 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.266 7.226 -5.565 1.00 0.78 H new ATOM 527 N THR A 38 12.074 7.460 -9.137 1.00 0.91 N ATOM 528 CA THR A 38 13.224 7.923 -9.892 1.00 1.03 C ATOM 529 C THR A 38 14.188 8.652 -8.958 1.00 1.04 C ATOM 530 O THR A 38 15.407 8.486 -9.036 1.00 1.14 O ATOM 531 CB THR A 38 12.780 8.855 -11.035 1.00 1.16 C ATOM 532 OG1 THR A 38 11.778 8.198 -11.822 1.00 1.43 O ATOM 533 CG2 THR A 38 13.953 9.237 -11.923 1.00 1.59 C ATOM 0 H THR A 38 11.196 7.916 -9.384 1.00 0.91 H new ATOM 0 HA THR A 38 13.730 7.063 -10.331 1.00 1.03 H new ATOM 0 HB THR A 38 12.375 9.767 -10.596 1.00 1.16 H new ATOM 0 HG1 THR A 38 11.493 8.790 -12.549 1.00 1.43 H new ATOM 0 HG21 THR A 38 13.607 9.895 -12.720 1.00 1.59 H new ATOM 0 HG22 THR A 38 14.707 9.753 -11.328 1.00 1.59 H new ATOM 0 HG23 THR A 38 14.388 8.337 -12.359 1.00 1.59 H new ATOM 541 N LYS A 39 13.621 9.438 -8.054 1.00 0.99 N ATOM 542 CA LYS A 39 14.389 10.091 -7.014 1.00 1.02 C ATOM 543 C LYS A 39 14.538 9.139 -5.835 1.00 0.94 C ATOM 544 O LYS A 39 13.554 8.549 -5.389 1.00 0.96 O ATOM 545 CB LYS A 39 13.680 11.373 -6.567 1.00 1.12 C ATOM 546 CG LYS A 39 14.398 12.123 -5.454 1.00 1.57 C ATOM 547 CD LYS A 39 13.501 13.173 -4.811 1.00 1.98 C ATOM 548 CE LYS A 39 13.024 14.214 -5.813 1.00 2.58 C ATOM 549 NZ LYS A 39 14.138 15.054 -6.328 1.00 3.17 N ATOM 0 H LYS A 39 12.621 9.638 -8.024 1.00 0.99 H new ATOM 0 HA LYS A 39 15.375 10.354 -7.397 1.00 1.02 H new ATOM 0 HB2 LYS A 39 13.573 12.035 -7.426 1.00 1.12 H new ATOM 0 HB3 LYS A 39 12.674 11.121 -6.231 1.00 1.12 H new ATOM 0 HG2 LYS A 39 14.732 11.415 -4.695 1.00 1.57 H new ATOM 0 HG3 LYS A 39 15.290 12.603 -5.856 1.00 1.57 H new ATOM 0 HD2 LYS A 39 12.638 12.684 -4.360 1.00 1.98 H new ATOM 0 HD3 LYS A 39 14.044 13.668 -4.006 1.00 1.98 H new ATOM 0 HE2 LYS A 39 12.533 13.713 -6.648 1.00 2.58 H new ATOM 0 HE3 LYS A 39 12.278 14.853 -5.342 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 13.756 15.791 -6.954 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 14.634 15.500 -5.530 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 14.804 14.459 -6.860 1.00 3.17 H new ATOM 563 N ARG A 40 15.758 8.970 -5.347 1.00 0.97 N ATOM 564 CA ARG A 40 15.999 8.093 -4.208 1.00 0.95 C ATOM 565 C ARG A 40 15.626 8.801 -2.909 1.00 0.91 C ATOM 566 O ARG A 40 16.252 9.798 -2.543 1.00 1.01 O ATOM 567 CB ARG A 40 17.464 7.646 -4.167 1.00 1.10 C ATOM 568 CG ARG A 40 17.826 6.864 -2.912 1.00 1.80 C ATOM 569 CD ARG A 40 19.244 6.316 -2.975 1.00 1.93 C ATOM 570 NE ARG A 40 19.369 5.224 -3.942 1.00 2.49 N ATOM 571 CZ ARG A 40 20.527 4.672 -4.301 1.00 2.88 C ATOM 572 NH1 ARG A 40 21.669 5.127 -3.798 1.00 2.66 N ATOM 573 NH2 ARG A 40 20.545 3.661 -5.164 1.00 3.84 N ATOM 0 H ARG A 40 16.592 9.425 -5.718 1.00 0.97 H new ATOM 0 HA ARG A 40 15.374 7.207 -4.319 1.00 0.95 H new ATOM 0 HB2 ARG A 40 17.672 7.030 -5.042 1.00 1.10 H new ATOM 0 HB3 ARG A 40 18.106 8.524 -4.236 1.00 1.10 H new ATOM 0 HG2 ARG A 40 17.725 7.510 -2.040 1.00 1.80 H new ATOM 0 HG3 ARG A 40 17.124 6.040 -2.782 1.00 1.80 H new ATOM 0 HD2 ARG A 40 19.931 7.118 -3.244 1.00 1.93 H new ATOM 0 HD3 ARG A 40 19.539 5.961 -1.988 1.00 1.93 H new ATOM 0 HE ARG A 40 18.515 4.863 -4.368 1.00 2.49 H new ATOM 0 HH11 ARG A 40 21.661 5.902 -3.134 1.00 2.66 H new ATOM 0 HH12 ARG A 40 22.554 4.702 -4.075 1.00 2.66 H new ATOM 0 HH21 ARG A 40 19.671 3.307 -5.553 1.00 3.84 H new ATOM 0 HH22 ARG A 40 21.433 3.240 -5.438 1.00 3.84 H new ATOM 587 N PRO A 41 14.586 8.311 -2.207 1.00 0.85 N ATOM 588 CA PRO A 41 14.160 8.881 -0.927 1.00 0.87 C ATOM 589 C PRO A 41 15.280 8.882 0.108 1.00 0.96 C ATOM 590 O PRO A 41 15.954 7.869 0.313 1.00 1.05 O ATOM 591 CB PRO A 41 13.029 7.961 -0.467 1.00 0.88 C ATOM 592 CG PRO A 41 12.547 7.280 -1.699 1.00 0.96 C ATOM 593 CD PRO A 41 13.734 7.183 -2.623 1.00 0.86 C ATOM 0 HA PRO A 41 13.860 9.923 -1.038 1.00 0.87 H new ATOM 0 HB2 PRO A 41 13.385 7.238 0.268 1.00 0.88 H new ATOM 0 HB3 PRO A 41 12.228 8.529 0.006 1.00 0.88 H new ATOM 0 HG2 PRO A 41 12.153 6.290 -1.467 1.00 0.96 H new ATOM 0 HG3 PRO A 41 11.738 7.844 -2.164 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.250 6.229 -2.515 1.00 0.86 H new ATOM 0 HD3 PRO A 41 13.437 7.268 -3.668 1.00 0.86 H new ATOM 601 N ALA A 42 15.463 10.016 0.764 1.00 1.05 N ATOM 602 CA ALA A 42 16.494 10.154 1.775 1.00 1.18 C ATOM 603 C ALA A 42 15.867 10.305 3.155 1.00 1.15 C ATOM 604 O ALA A 42 14.974 11.134 3.352 1.00 1.21 O ATOM 605 CB ALA A 42 17.386 11.343 1.455 1.00 1.41 C ATOM 0 H ALA A 42 14.907 10.857 0.612 1.00 1.05 H new ATOM 0 HA ALA A 42 17.108 9.253 1.777 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.156 11.437 2.221 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.857 11.194 0.483 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.786 12.252 1.431 1.00 1.41 H new ATOM 611 N GLY A 43 16.317 9.494 4.102 1.00 1.17 N ATOM 612 CA GLY A 43 15.781 9.555 5.446 1.00 1.18 C ATOM 613 C GLY A 43 14.478 8.799 5.573 1.00 1.04 C ATOM 614 O GLY A 43 14.303 7.744 4.958 1.00 1.12 O ATOM 0 H GLY A 43 17.045 8.794 3.963 1.00 1.17 H new ATOM 0 HA2 GLY A 43 16.509 9.143 6.145 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.624 10.597 5.726 1.00 1.18 H new ATOM 618 N LYS A 44 13.562 9.338 6.365 1.00 1.00 N ATOM 619 CA LYS A 44 12.267 8.712 6.577 1.00 0.92 C ATOM 620 C LYS A 44 11.435 8.738 5.307 1.00 0.80 C ATOM 621 O LYS A 44 11.062 9.802 4.813 1.00 0.84 O ATOM 622 CB LYS A 44 11.502 9.409 7.703 1.00 1.04 C ATOM 623 CG LYS A 44 12.038 9.109 9.091 1.00 1.53 C ATOM 624 CD LYS A 44 11.862 7.640 9.444 1.00 1.94 C ATOM 625 CE LYS A 44 12.104 7.378 10.922 1.00 2.69 C ATOM 626 NZ LYS A 44 11.841 5.961 11.281 1.00 3.46 N ATOM 0 H LYS A 44 13.694 10.212 6.873 1.00 1.00 H new ATOM 0 HA LYS A 44 12.448 7.675 6.859 1.00 0.92 H new ATOM 0 HB2 LYS A 44 11.533 10.486 7.537 1.00 1.04 H new ATOM 0 HB3 LYS A 44 10.455 9.110 7.656 1.00 1.04 H new ATOM 0 HG2 LYS A 44 13.094 9.373 9.141 1.00 1.53 H new ATOM 0 HG3 LYS A 44 11.520 9.726 9.825 1.00 1.53 H new ATOM 0 HD2 LYS A 44 10.854 7.322 9.179 1.00 1.94 H new ATOM 0 HD3 LYS A 44 12.552 7.039 8.851 1.00 1.94 H new ATOM 0 HE2 LYS A 44 13.134 7.631 11.172 1.00 2.69 H new ATOM 0 HE3 LYS A 44 11.463 8.029 11.516 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 11.517 5.907 12.268 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 11.106 5.575 10.654 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 12.715 5.407 11.172 1.00 3.46 H new ATOM 640 N TRP A 45 11.166 7.562 4.774 1.00 0.72 N ATOM 641 CA TRP A 45 10.315 7.430 3.611 1.00 0.62 C ATOM 642 C TRP A 45 9.019 6.723 3.984 1.00 0.53 C ATOM 643 O TRP A 45 9.037 5.674 4.636 1.00 0.53 O ATOM 644 CB TRP A 45 11.038 6.666 2.499 1.00 0.62 C ATOM 645 CG TRP A 45 10.142 6.298 1.355 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.638 7.137 0.403 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.639 4.994 1.046 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.848 6.438 -0.472 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.833 5.119 -0.099 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.789 3.733 1.631 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.182 4.032 -0.673 1.00 0.43 C ATOM 652 CZ3 TRP A 45 9.142 2.654 1.060 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.347 2.809 -0.080 1.00 0.42 C ATOM 0 H TRP A 45 11.529 6.679 5.133 1.00 0.72 H new ATOM 0 HA TRP A 45 10.076 8.428 3.243 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.862 7.274 2.126 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.475 5.759 2.916 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.834 8.198 0.348 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.352 6.834 -1.270 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.399 3.605 2.513 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.569 4.148 -1.554 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.252 1.674 1.501 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.853 1.946 -0.501 1.00 0.42 H new ATOM 664 N GLU A 46 7.906 7.313 3.582 1.00 0.51 N ATOM 665 CA GLU A 46 6.599 6.726 3.810 1.00 0.48 C ATOM 666 C GLU A 46 6.052 6.162 2.503 1.00 0.39 C ATOM 667 O GLU A 46 6.006 6.860 1.492 1.00 0.42 O ATOM 668 CB GLU A 46 5.645 7.779 4.372 1.00 0.60 C ATOM 669 CG GLU A 46 6.071 8.319 5.727 1.00 1.17 C ATOM 670 CD GLU A 46 5.201 9.463 6.201 1.00 1.33 C ATOM 671 OE1 GLU A 46 5.711 10.602 6.292 1.00 1.73 O ATOM 672 OE2 GLU A 46 4.003 9.240 6.479 1.00 1.82 O ATOM 0 H GLU A 46 7.884 8.207 3.091 1.00 0.51 H new ATOM 0 HA GLU A 46 6.691 5.916 4.533 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.573 8.606 3.666 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.648 7.346 4.459 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.037 7.514 6.461 1.00 1.17 H new ATOM 0 HG3 GLU A 46 7.106 8.655 5.670 1.00 1.17 H new ATOM 679 N CYS A 47 5.651 4.897 2.524 1.00 0.32 N ATOM 680 CA CYS A 47 5.130 4.242 1.328 1.00 0.28 C ATOM 681 C CYS A 47 3.809 4.880 0.891 1.00 0.26 C ATOM 682 O CYS A 47 3.041 5.364 1.723 1.00 0.27 O ATOM 683 CB CYS A 47 4.930 2.739 1.579 1.00 0.28 C ATOM 684 SG CYS A 47 3.533 2.330 2.655 1.00 0.26 S ATOM 0 H CYS A 47 5.676 4.304 3.354 1.00 0.32 H new ATOM 0 HA CYS A 47 5.860 4.371 0.529 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.790 2.240 0.620 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.841 2.334 2.020 1.00 0.28 H new ATOM 0 HG CYS A 47 3.953 1.625 3.663 1.00 0.26 H new ATOM 689 N PRO A 48 3.529 4.880 -0.429 1.00 0.27 N ATOM 690 CA PRO A 48 2.299 5.463 -0.988 1.00 0.29 C ATOM 691 C PRO A 48 1.046 4.683 -0.593 1.00 0.27 C ATOM 692 O PRO A 48 -0.067 5.047 -0.969 1.00 0.30 O ATOM 693 CB PRO A 48 2.521 5.395 -2.502 1.00 0.35 C ATOM 694 CG PRO A 48 3.507 4.298 -2.692 1.00 0.34 C ATOM 695 CD PRO A 48 4.402 4.330 -1.483 1.00 0.29 C ATOM 0 HA PRO A 48 2.128 6.473 -0.616 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.590 5.186 -3.029 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.901 6.340 -2.889 1.00 0.35 H new ATOM 0 HG2 PRO A 48 3.006 3.334 -2.781 1.00 0.34 H new ATOM 0 HG3 PRO A 48 4.082 4.444 -3.607 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.766 3.335 -1.225 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.278 4.957 -1.648 1.00 0.29 H new ATOM 703 N TRP A 49 1.245 3.613 0.170 1.00 0.24 N ATOM 704 CA TRP A 49 0.147 2.842 0.744 1.00 0.23 C ATOM 705 C TRP A 49 -0.404 3.585 1.967 1.00 0.23 C ATOM 706 O TRP A 49 -1.288 3.103 2.673 1.00 0.27 O ATOM 707 CB TRP A 49 0.649 1.441 1.133 1.00 0.22 C ATOM 708 CG TRP A 49 -0.433 0.445 1.442 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.569 0.212 0.719 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.463 -0.474 2.545 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.301 -0.794 1.304 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.646 -1.228 2.426 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.394 -0.732 3.622 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.994 -2.220 3.341 1.00 0.30 C ATOM 715 CZ3 TRP A 49 0.046 -1.716 4.529 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.139 -2.451 4.382 1.00 0.32 C ATOM 0 H TRP A 49 2.170 3.256 0.408 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.653 2.728 0.013 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.260 1.051 0.319 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.298 1.532 2.004 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.850 0.740 -0.180 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -3.189 -1.158 0.958 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.310 -0.173 3.742 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.907 -2.786 3.231 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.698 -1.922 5.365 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.381 -3.215 5.106 1.00 0.32 H new ATOM 727 N HIS A 50 0.169 4.754 2.228 1.00 0.23 N ATOM 728 CA HIS A 50 -0.342 5.656 3.248 1.00 0.24 C ATOM 729 C HIS A 50 -0.962 6.880 2.588 1.00 0.25 C ATOM 730 O HIS A 50 -1.383 7.821 3.264 1.00 0.29 O ATOM 731 CB HIS A 50 0.777 6.109 4.191 1.00 0.27 C ATOM 732 CG HIS A 50 1.532 4.994 4.853 1.00 0.28 C ATOM 733 ND1 HIS A 50 1.009 3.749 5.126 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.807 4.972 5.312 1.00 0.30 C ATOM 735 CE1 HIS A 50 1.964 3.026 5.730 1.00 0.35 C ATOM 736 NE2 HIS A 50 3.076 3.727 5.868 1.00 0.34 N ATOM 0 H HIS A 50 0.996 5.100 1.741 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.095 5.121 3.827 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.481 6.722 3.628 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.346 6.746 4.963 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.505 5.794 5.255 1.00 0.30 H new ATOM 0 HE1 HIS A 50 1.840 2.005 6.060 1.00 0.35 H new ATOM 0 HE2 HIS A 50 3.950 3.418 6.294 1.00 0.34 H new ATOM 744 N GLN A 51 -1.016 6.861 1.260 1.00 0.25 N ATOM 745 CA GLN A 51 -1.505 7.999 0.495 1.00 0.28 C ATOM 746 C GLN A 51 -2.719 7.603 -0.329 1.00 0.24 C ATOM 747 O GLN A 51 -2.780 6.511 -0.890 1.00 0.26 O ATOM 748 CB GLN A 51 -0.412 8.555 -0.424 1.00 0.38 C ATOM 749 CG GLN A 51 0.865 8.927 0.308 1.00 0.48 C ATOM 750 CD GLN A 51 0.662 10.007 1.358 1.00 0.55 C ATOM 751 OE1 GLN A 51 -0.218 10.857 1.236 1.00 0.83 O ATOM 752 NE2 GLN A 51 1.492 9.994 2.389 1.00 0.86 N ATOM 0 H GLN A 51 -0.726 6.066 0.691 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.792 8.778 1.202 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.180 7.814 -1.189 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.795 9.436 -0.939 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.274 8.037 0.786 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.605 9.268 -0.416 1.00 0.48 H new ATOM 0 HE21 GLN A 51 2.210 9.273 2.457 1.00 0.86 H new ATOM 0 HE22 GLN A 51 1.413 10.705 3.116 1.00 0.86 H new ATOM 761 N CYS A 52 -3.685 8.497 -0.384 1.00 0.23 N ATOM 762 CA CYS A 52 -4.912 8.258 -1.113 1.00 0.21 C ATOM 763 C CYS A 52 -4.639 8.187 -2.609 1.00 0.26 C ATOM 764 O CYS A 52 -4.142 9.141 -3.202 1.00 0.31 O ATOM 765 CB CYS A 52 -5.912 9.369 -0.813 1.00 0.22 C ATOM 766 SG CYS A 52 -7.511 9.196 -1.640 1.00 0.23 S ATOM 0 H CYS A 52 -3.641 9.407 0.074 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.330 7.303 -0.795 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.078 9.408 0.264 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.471 10.323 -1.102 1.00 0.22 H new ATOM 0 HG CYS A 52 -8.417 9.847 -0.973 1.00 0.23 H new ATOM 771 N ASP A 53 -4.987 7.055 -3.204 1.00 0.28 N ATOM 772 CA ASP A 53 -4.764 6.814 -4.628 1.00 0.35 C ATOM 773 C ASP A 53 -5.494 7.850 -5.479 1.00 0.36 C ATOM 774 O ASP A 53 -5.111 8.116 -6.616 1.00 0.42 O ATOM 775 CB ASP A 53 -5.235 5.399 -5.003 1.00 0.39 C ATOM 776 CG ASP A 53 -4.828 4.983 -6.405 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.568 5.280 -7.365 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.767 4.336 -6.552 1.00 0.64 O ATOM 0 H ASP A 53 -5.431 6.277 -2.717 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.696 6.901 -4.825 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.827 4.686 -4.287 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.321 5.350 -4.918 1.00 0.39 H new ATOM 783 N VAL A 54 -6.529 8.461 -4.912 1.00 0.33 N ATOM 784 CA VAL A 54 -7.342 9.410 -5.654 1.00 0.36 C ATOM 785 C VAL A 54 -6.786 10.832 -5.565 1.00 0.37 C ATOM 786 O VAL A 54 -6.567 11.476 -6.588 1.00 0.44 O ATOM 787 CB VAL A 54 -8.808 9.404 -5.173 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.639 10.400 -5.966 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.409 8.014 -5.287 1.00 0.33 C ATOM 0 H VAL A 54 -6.821 8.315 -3.946 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.310 9.087 -6.695 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.817 9.700 -4.124 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.669 10.379 -5.610 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.230 11.402 -5.834 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.615 10.134 -7.023 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.443 8.035 -4.942 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.380 7.689 -6.327 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.836 7.318 -4.674 1.00 0.33 H new ATOM 799 N CYS A 55 -6.544 11.328 -4.352 1.00 0.34 N ATOM 800 CA CYS A 55 -6.166 12.733 -4.200 1.00 0.36 C ATOM 801 C CYS A 55 -4.725 12.921 -3.716 1.00 0.35 C ATOM 802 O CYS A 55 -4.230 14.044 -3.669 1.00 0.41 O ATOM 803 CB CYS A 55 -7.139 13.459 -3.268 1.00 0.37 C ATOM 804 SG CYS A 55 -7.154 12.863 -1.561 1.00 0.32 S ATOM 0 H CYS A 55 -6.600 10.796 -3.483 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.223 13.174 -5.195 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -6.891 14.520 -3.264 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.145 13.369 -3.677 1.00 0.37 H new ATOM 0 HG CYS A 55 -7.259 11.567 -1.555 1.00 0.32 H new ATOM 809 N GLY A 56 -4.054 11.837 -3.348 1.00 0.33 N ATOM 810 CA GLY A 56 -2.664 11.936 -2.934 1.00 0.36 C ATOM 811 C GLY A 56 -2.491 12.403 -1.497 1.00 0.38 C ATOM 812 O GLY A 56 -1.363 12.533 -1.019 1.00 0.49 O ATOM 0 H GLY A 56 -4.443 10.894 -3.328 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.188 10.962 -3.051 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.144 12.627 -3.597 1.00 0.36 H new ATOM 816 N LYS A 57 -3.597 12.668 -0.809 1.00 0.35 N ATOM 817 CA LYS A 57 -3.539 13.081 0.591 1.00 0.39 C ATOM 818 C LYS A 57 -3.390 11.863 1.493 1.00 0.33 C ATOM 819 O LYS A 57 -3.381 10.734 1.008 1.00 0.33 O ATOM 820 CB LYS A 57 -4.790 13.866 0.978 1.00 0.48 C ATOM 821 CG LYS A 57 -5.026 15.090 0.112 1.00 0.65 C ATOM 822 CD LYS A 57 -6.303 15.813 0.505 1.00 0.78 C ATOM 823 CE LYS A 57 -6.584 16.986 -0.420 1.00 1.16 C ATOM 824 NZ LYS A 57 -5.513 18.016 -0.360 1.00 1.91 N ATOM 0 H LYS A 57 -4.539 12.605 -1.194 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.672 13.729 0.719 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.657 13.209 0.910 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -4.707 14.177 2.019 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -4.179 15.770 0.203 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.084 14.791 -0.935 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -7.141 15.116 0.476 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -6.220 16.169 1.532 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -6.681 16.624 -1.444 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -7.538 17.439 -0.150 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -5.815 18.862 -0.885 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -5.331 18.270 0.632 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -4.643 17.637 -0.785 1.00 1.91 H new ATOM 838 N GLU A 58 -3.291 12.090 2.796 1.00 0.35 N ATOM 839 CA GLU A 58 -3.093 11.000 3.739 1.00 0.37 C ATOM 840 C GLU A 58 -4.288 10.051 3.730 1.00 0.30 C ATOM 841 O GLU A 58 -5.443 10.477 3.809 1.00 0.36 O ATOM 842 CB GLU A 58 -2.860 11.535 5.153 1.00 0.51 C ATOM 843 CG GLU A 58 -2.480 10.449 6.145 1.00 0.88 C ATOM 844 CD GLU A 58 -2.252 10.977 7.541 1.00 1.30 C ATOM 845 OE1 GLU A 58 -1.100 11.350 7.860 1.00 1.50 O ATOM 846 OE2 GLU A 58 -3.216 11.005 8.334 1.00 2.03 O ATOM 0 H GLU A 58 -3.344 13.015 3.222 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.206 10.448 3.426 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.071 12.286 5.125 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -3.764 12.035 5.500 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.269 9.697 6.171 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -1.575 9.950 5.799 1.00 0.88 H new ATOM 853 N ALA A 59 -3.999 8.768 3.610 1.00 0.26 N ATOM 854 CA ALA A 59 -5.029 7.749 3.572 1.00 0.21 C ATOM 855 C ALA A 59 -5.476 7.364 4.975 1.00 0.23 C ATOM 856 O ALA A 59 -4.692 7.413 5.925 1.00 0.30 O ATOM 857 CB ALA A 59 -4.521 6.526 2.837 1.00 0.22 C ATOM 0 H ALA A 59 -3.048 8.406 3.537 1.00 0.26 H new ATOM 0 HA ALA A 59 -5.890 8.158 3.043 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.301 5.765 2.813 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.251 6.800 1.817 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.645 6.131 3.351 1.00 0.22 H new ATOM 863 N ALA A 60 -6.741 6.990 5.096 1.00 0.20 N ATOM 864 CA ALA A 60 -7.292 6.546 6.363 1.00 0.23 C ATOM 865 C ALA A 60 -7.616 5.059 6.306 1.00 0.23 C ATOM 866 O ALA A 60 -7.564 4.361 7.319 1.00 0.30 O ATOM 867 CB ALA A 60 -8.531 7.353 6.707 1.00 0.27 C ATOM 0 H ALA A 60 -7.408 6.986 4.324 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.550 6.705 7.145 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -8.935 7.011 7.660 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.269 8.408 6.782 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.280 7.220 5.926 1.00 0.27 H new ATOM 873 N SER A 61 -7.957 4.582 5.118 1.00 0.21 N ATOM 874 CA SER A 61 -8.222 3.173 4.909 1.00 0.23 C ATOM 875 C SER A 61 -7.215 2.601 3.919 1.00 0.20 C ATOM 876 O SER A 61 -6.759 3.301 3.009 1.00 0.30 O ATOM 877 CB SER A 61 -9.647 2.980 4.399 1.00 0.30 C ATOM 878 OG SER A 61 -9.872 3.738 3.226 1.00 0.35 O ATOM 0 H SER A 61 -8.056 5.157 4.281 1.00 0.21 H new ATOM 0 HA SER A 61 -8.120 2.642 5.856 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.824 1.924 4.194 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.357 3.278 5.171 1.00 0.30 H new ATOM 0 HG SER A 61 -10.265 3.164 2.536 1.00 0.35 H new ATOM 884 N PHE A 62 -6.868 1.335 4.094 1.00 0.21 N ATOM 885 CA PHE A 62 -5.817 0.721 3.299 1.00 0.20 C ATOM 886 C PHE A 62 -6.340 -0.526 2.597 1.00 0.19 C ATOM 887 O PHE A 62 -6.764 -1.476 3.253 1.00 0.22 O ATOM 888 CB PHE A 62 -4.636 0.351 4.208 1.00 0.26 C ATOM 889 CG PHE A 62 -4.319 1.409 5.232 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.697 1.240 6.556 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.666 2.577 4.872 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.429 2.215 7.498 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.394 3.553 5.812 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.778 3.372 7.126 1.00 0.47 C ATOM 0 H PHE A 62 -7.299 0.714 4.779 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.485 1.432 2.542 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.860 -0.585 4.720 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.754 0.175 3.592 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -5.207 0.336 6.854 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.366 2.726 3.845 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.729 2.071 8.525 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -2.881 4.457 5.519 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.569 4.135 7.861 1.00 0.47 H new ATOM 904 N CYS A 63 -6.336 -0.516 1.267 1.00 0.18 N ATOM 905 CA CYS A 63 -6.719 -1.699 0.515 1.00 0.18 C ATOM 906 C CYS A 63 -5.676 -2.784 0.728 1.00 0.19 C ATOM 907 O CYS A 63 -4.482 -2.549 0.546 1.00 0.22 O ATOM 908 CB CYS A 63 -6.874 -1.397 -0.979 1.00 0.20 C ATOM 909 SG CYS A 63 -7.688 -2.726 -1.897 1.00 0.23 S ATOM 0 H CYS A 63 -6.075 0.289 0.697 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.689 -2.039 0.878 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.447 -0.478 -1.099 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.889 -1.217 -1.410 1.00 0.20 H new ATOM 0 HG CYS A 63 -7.990 -2.307 -3.090 1.00 0.23 H new ATOM 914 N GLU A 64 -6.127 -3.966 1.101 1.00 0.19 N ATOM 915 CA GLU A 64 -5.223 -5.041 1.480 1.00 0.23 C ATOM 916 C GLU A 64 -4.800 -5.870 0.273 1.00 0.25 C ATOM 917 O GLU A 64 -4.249 -6.955 0.429 1.00 0.29 O ATOM 918 CB GLU A 64 -5.878 -5.945 2.528 1.00 0.24 C ATOM 919 CG GLU A 64 -6.113 -5.260 3.866 1.00 0.24 C ATOM 920 CD GLU A 64 -6.807 -6.162 4.862 1.00 0.29 C ATOM 921 OE1 GLU A 64 -6.173 -7.123 5.342 1.00 0.42 O ATOM 922 OE2 GLU A 64 -7.989 -5.908 5.173 1.00 0.32 O ATOM 0 H GLU A 64 -7.116 -4.209 1.151 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.330 -4.583 1.906 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.832 -6.303 2.141 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.248 -6.821 2.684 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.157 -4.936 4.278 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.714 -4.364 3.712 1.00 0.24 H new ATOM 929 N MET A 65 -5.063 -5.376 -0.928 1.00 0.27 N ATOM 930 CA MET A 65 -4.659 -6.101 -2.128 1.00 0.32 C ATOM 931 C MET A 65 -3.911 -5.209 -3.114 1.00 0.35 C ATOM 932 O MET A 65 -3.536 -5.660 -4.197 1.00 0.44 O ATOM 933 CB MET A 65 -5.871 -6.731 -2.819 1.00 0.34 C ATOM 934 CG MET A 65 -6.644 -7.707 -1.943 1.00 0.36 C ATOM 935 SD MET A 65 -8.075 -8.419 -2.780 1.00 0.70 S ATOM 936 CE MET A 65 -7.287 -9.255 -4.156 1.00 1.54 C ATOM 0 H MET A 65 -5.545 -4.493 -1.099 1.00 0.27 H new ATOM 0 HA MET A 65 -3.979 -6.889 -1.804 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.545 -5.938 -3.143 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.535 -7.251 -3.716 1.00 0.34 H new ATOM 0 HG2 MET A 65 -5.978 -8.510 -1.627 1.00 0.36 H new ATOM 0 HG3 MET A 65 -6.975 -7.193 -1.040 1.00 0.36 H new ATOM 0 HE1 MET A 65 -7.772 -10.216 -4.324 1.00 1.54 H new ATOM 0 HE2 MET A 65 -7.376 -8.642 -5.053 1.00 1.54 H new ATOM 0 HE3 MET A 65 -6.233 -9.415 -3.929 1.00 1.54 H new ATOM 946 N CYS A 66 -3.682 -3.949 -2.751 1.00 0.32 N ATOM 947 CA CYS A 66 -2.965 -3.034 -3.629 1.00 0.34 C ATOM 948 C CYS A 66 -2.513 -1.802 -2.851 1.00 0.33 C ATOM 949 O CYS A 66 -3.093 -1.482 -1.813 1.00 0.32 O ATOM 950 CB CYS A 66 -3.863 -2.609 -4.796 1.00 0.35 C ATOM 951 SG CYS A 66 -5.175 -1.452 -4.336 1.00 0.32 S ATOM 0 H CYS A 66 -3.980 -3.543 -1.864 1.00 0.32 H new ATOM 0 HA CYS A 66 -2.088 -3.547 -4.023 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -3.245 -2.152 -5.568 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.315 -3.498 -5.235 1.00 0.35 H new ATOM 0 HG CYS A 66 -5.977 -2.021 -3.486 1.00 0.32 H new ATOM 956 N PRO A 67 -1.473 -1.093 -3.338 1.00 0.35 N ATOM 957 CA PRO A 67 -0.970 0.138 -2.706 1.00 0.37 C ATOM 958 C PRO A 67 -1.919 1.324 -2.884 1.00 0.37 C ATOM 959 O PRO A 67 -1.550 2.471 -2.625 1.00 0.46 O ATOM 960 CB PRO A 67 0.355 0.415 -3.438 1.00 0.41 C ATOM 961 CG PRO A 67 0.659 -0.833 -4.191 1.00 0.42 C ATOM 962 CD PRO A 67 -0.674 -1.440 -4.524 1.00 0.38 C ATOM 0 HA PRO A 67 -0.863 0.012 -1.629 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.261 1.267 -4.111 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.151 0.652 -2.733 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.228 -0.616 -5.095 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.261 -1.515 -3.591 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.096 -1.021 -5.437 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.607 -2.518 -4.669 1.00 0.38 H new ATOM 970 N SER A 68 -3.133 1.051 -3.342 1.00 0.33 N ATOM 971 CA SER A 68 -4.134 2.088 -3.504 1.00 0.33 C ATOM 972 C SER A 68 -4.958 2.235 -2.231 1.00 0.27 C ATOM 973 O SER A 68 -5.995 1.588 -2.060 1.00 0.40 O ATOM 974 CB SER A 68 -5.047 1.776 -4.689 1.00 0.37 C ATOM 975 OG SER A 68 -4.315 1.728 -5.907 1.00 0.46 O ATOM 0 H SER A 68 -3.446 0.117 -3.608 1.00 0.33 H new ATOM 0 HA SER A 68 -3.621 3.029 -3.701 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.546 0.821 -4.525 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.826 2.535 -4.760 1.00 0.37 H new ATOM 0 HG SER A 68 -4.077 2.638 -6.182 1.00 0.46 H new ATOM 981 N SER A 69 -4.474 3.069 -1.331 1.00 0.21 N ATOM 982 CA SER A 69 -5.191 3.387 -0.112 1.00 0.17 C ATOM 983 C SER A 69 -6.040 4.636 -0.338 1.00 0.16 C ATOM 984 O SER A 69 -5.832 5.348 -1.319 1.00 0.18 O ATOM 985 CB SER A 69 -4.189 3.587 1.024 1.00 0.24 C ATOM 986 OG SER A 69 -3.069 4.336 0.582 1.00 0.38 O ATOM 0 H SER A 69 -3.576 3.544 -1.424 1.00 0.21 H new ATOM 0 HA SER A 69 -5.857 2.569 0.163 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.672 4.102 1.854 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.859 2.618 1.399 1.00 0.24 H new ATOM 0 HG SER A 69 -3.375 5.094 0.041 1.00 0.38 H new ATOM 992 N PHE A 70 -6.999 4.911 0.537 1.00 0.15 N ATOM 993 CA PHE A 70 -7.909 6.023 0.302 1.00 0.15 C ATOM 994 C PHE A 70 -8.072 6.884 1.547 1.00 0.16 C ATOM 995 O PHE A 70 -7.961 6.400 2.675 1.00 0.18 O ATOM 996 CB PHE A 70 -9.277 5.507 -0.146 1.00 0.16 C ATOM 997 CG PHE A 70 -9.229 4.624 -1.361 1.00 0.18 C ATOM 998 CD1 PHE A 70 -9.088 5.168 -2.627 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.328 3.249 -1.232 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -9.047 4.355 -3.743 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.287 2.431 -2.344 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.146 2.985 -3.602 1.00 0.25 C ATOM 0 H PHE A 70 -7.165 4.391 1.399 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.476 6.639 -0.487 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.732 4.953 0.675 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.925 6.359 -0.354 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -9.009 6.239 -2.743 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.439 2.811 -0.251 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.938 4.791 -4.725 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.365 1.360 -2.231 1.00 0.24 H new ATOM 0 HZ PHE A 70 -9.113 2.348 -4.473 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.327 8.168 1.328 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.577 9.099 2.418 1.00 0.22 C ATOM 1014 C CYS A 71 -9.999 8.919 2.934 1.00 0.23 C ATOM 1015 O CYS A 71 -10.757 8.125 2.376 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.364 10.543 1.951 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.594 11.115 0.757 1.00 0.26 S ATOM 0 H CYS A 71 -8.366 8.589 0.400 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.874 8.891 3.225 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.381 11.202 2.819 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.373 10.628 1.506 1.00 0.26 H new ATOM 0 HG CYS A 71 -9.005 11.796 -0.180 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.372 9.654 3.967 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.705 9.529 4.546 1.00 0.33 C ATOM 1024 C LYS A 72 -12.795 9.845 3.520 1.00 0.34 C ATOM 1025 O LYS A 72 -13.888 9.282 3.568 1.00 0.38 O ATOM 1026 CB LYS A 72 -11.841 10.432 5.769 1.00 0.40 C ATOM 1027 CG LYS A 72 -10.899 10.046 6.896 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.057 10.945 8.107 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.069 10.567 9.196 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.205 11.427 10.399 1.00 1.23 N ATOM 0 H LYS A 72 -9.775 10.343 4.424 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.837 8.493 4.858 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.646 11.464 5.476 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -12.868 10.392 6.131 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.086 9.012 7.186 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -9.870 10.096 6.540 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -10.903 11.984 7.816 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.074 10.869 8.491 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.222 9.525 9.477 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.054 10.647 8.807 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.511 11.133 11.116 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -10.034 12.419 10.138 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.165 11.332 10.787 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.480 10.722 2.579 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.437 11.125 1.556 1.00 0.36 C ATOM 1046 C GLN A 73 -13.532 10.109 0.426 1.00 0.31 C ATOM 1047 O GLN A 73 -14.624 9.790 -0.041 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.066 12.495 0.990 1.00 0.41 C ATOM 1049 CG GLN A 73 -13.625 13.655 1.798 1.00 1.17 C ATOM 1050 CD GLN A 73 -15.138 13.724 1.724 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -15.695 14.388 0.851 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -15.813 13.032 2.626 1.00 2.20 N ATOM 0 H GLN A 73 -11.567 11.170 2.501 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.414 11.180 2.036 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -11.980 12.581 0.949 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -13.430 12.567 -0.035 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -13.318 13.553 2.839 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -13.201 14.590 1.431 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -15.314 12.494 3.334 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -16.833 13.036 2.614 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.397 9.588 -0.007 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.373 8.734 -1.191 1.00 0.21 C ATOM 1063 C HIS A 74 -12.369 7.254 -0.834 1.00 0.19 C ATOM 1064 O HIS A 74 -12.070 6.412 -1.674 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.169 9.070 -2.080 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.230 10.456 -2.642 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.120 11.259 -2.721 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.301 11.137 -3.103 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.540 12.412 -3.213 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -11.859 12.383 -3.463 1.00 0.34 N ATOM 0 H HIS A 74 -11.489 9.736 0.434 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.290 8.934 -1.745 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.253 8.958 -1.500 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.117 8.353 -2.899 1.00 0.22 H new ATOM 0 HD1 HIS A 74 -9.166 11.016 -2.455 1.00 0.28 H new ATOM 0 HD2 HIS A 74 -13.314 10.769 -3.174 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -9.904 13.267 -3.391 1.00 0.33 H new ATOM 1078 N ARG A 75 -12.697 6.936 0.409 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.796 5.542 0.821 1.00 0.20 C ATOM 1080 C ARG A 75 -14.232 5.047 0.738 1.00 0.23 C ATOM 1081 O ARG A 75 -14.475 3.858 0.515 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.251 5.342 2.235 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.023 6.070 3.320 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.357 5.897 4.676 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.082 6.591 5.736 1.00 0.53 N ATOM 1086 CZ ARG A 75 -12.702 6.605 7.013 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -11.613 5.948 7.393 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -13.421 7.264 7.914 1.00 0.92 N ATOM 0 H ARG A 75 -12.897 7.615 1.144 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.187 4.956 0.133 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.249 4.276 2.462 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.213 5.675 2.260 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.087 7.130 3.076 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.044 5.690 3.362 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.294 4.836 4.916 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.336 6.275 4.629 1.00 0.39 H new ATOM 0 HE ARG A 75 -13.931 7.096 5.484 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.064 5.430 6.707 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -11.325 5.961 8.371 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.265 7.760 7.629 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -13.129 7.274 8.891 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.180 5.963 0.889 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.586 5.599 0.898 1.00 0.34 C ATOM 1104 C GLU A 76 -17.020 5.097 -0.469 1.00 0.32 C ATOM 1105 O GLU A 76 -16.861 5.788 -1.478 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.448 6.785 1.324 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.291 7.152 2.790 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.249 8.237 3.223 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.387 7.903 3.619 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -17.871 9.425 3.178 1.00 1.65 O ATOM 0 H GLU A 76 -14.999 6.960 1.006 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.722 4.795 1.621 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.191 7.649 0.712 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.494 6.553 1.126 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.452 6.265 3.402 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.268 7.482 2.971 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.552 3.882 -0.501 1.00 0.37 N ATOM 1118 CA GLY A 77 -18.009 3.298 -1.746 1.00 0.42 C ATOM 1119 C GLY A 77 -16.880 2.767 -2.608 1.00 0.40 C ATOM 1120 O GLY A 77 -17.118 2.019 -3.555 1.00 0.58 O ATOM 0 H GLY A 77 -17.675 3.288 0.319 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.702 2.486 -1.526 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.565 4.048 -2.309 1.00 0.42 H new ATOM 1124 N MET A 78 -15.650 3.142 -2.281 1.00 0.29 N ATOM 1125 CA MET A 78 -14.495 2.741 -3.078 1.00 0.27 C ATOM 1126 C MET A 78 -13.813 1.518 -2.473 1.00 0.24 C ATOM 1127 O MET A 78 -13.274 0.676 -3.192 1.00 0.28 O ATOM 1128 CB MET A 78 -13.488 3.894 -3.195 1.00 0.29 C ATOM 1129 CG MET A 78 -14.059 5.150 -3.851 1.00 0.35 C ATOM 1130 SD MET A 78 -14.591 4.867 -5.550 1.00 0.58 S ATOM 1131 CE MET A 78 -15.295 6.465 -5.953 1.00 1.51 C ATOM 0 H MET A 78 -15.425 3.721 -1.472 1.00 0.29 H new ATOM 0 HA MET A 78 -14.853 2.483 -4.075 1.00 0.27 H new ATOM 0 HB2 MET A 78 -13.125 4.149 -2.199 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.627 3.555 -3.771 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.905 5.509 -3.265 1.00 0.35 H new ATOM 0 HG3 MET A 78 -13.305 5.937 -3.837 1.00 0.35 H new ATOM 0 HE1 MET A 78 -15.669 6.450 -6.977 1.00 1.51 H new ATOM 0 HE2 MET A 78 -16.115 6.684 -5.270 1.00 1.51 H new ATOM 0 HE3 MET A 78 -14.529 7.234 -5.858 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.829 1.428 -1.150 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.234 0.296 -0.461 1.00 0.22 C ATOM 1143 C LEU A 79 -14.318 -0.497 0.264 1.00 0.25 C ATOM 1144 O LEU A 79 -15.269 0.081 0.799 1.00 0.32 O ATOM 1145 CB LEU A 79 -12.182 0.802 0.532 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.236 -0.257 1.106 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.411 -0.904 0.006 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.325 0.369 2.147 1.00 0.27 C ATOM 0 H LEU A 79 -14.248 2.126 -0.535 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.751 -0.361 -1.184 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.582 1.566 0.038 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.697 1.288 1.361 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.837 -1.033 1.579 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.748 -1.652 0.441 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -11.075 -1.382 -0.714 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.817 -0.142 -0.499 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.656 -0.392 2.550 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.737 1.162 1.686 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.927 0.786 2.954 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.188 -1.816 0.265 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.136 -2.691 0.943 1.00 0.31 C ATOM 1162 C PHE A 80 -14.424 -3.946 1.436 1.00 0.31 C ATOM 1163 O PHE A 80 -13.296 -4.220 1.038 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.293 -3.060 -0.004 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.850 -3.708 -1.291 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.619 -2.943 -2.427 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.664 -5.081 -1.367 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.209 -3.536 -3.604 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.255 -5.675 -2.545 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.027 -4.901 -3.663 1.00 0.45 C ATOM 0 H PHE A 80 -13.426 -2.309 -0.202 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.552 -2.166 1.803 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.973 -3.735 0.516 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.858 -2.158 -0.239 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.762 -1.873 -2.389 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.841 -5.692 -0.495 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -15.031 -2.930 -4.480 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.114 -6.745 -2.590 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.706 -5.364 -4.584 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.076 -4.694 2.310 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.511 -5.934 2.822 1.00 0.38 C ATOM 1182 C ILE A 81 -14.779 -7.084 1.859 1.00 0.42 C ATOM 1183 O ILE A 81 -15.928 -7.344 1.493 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.083 -6.286 4.212 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.617 -5.271 5.258 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.673 -7.692 4.625 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.143 -5.362 5.586 1.00 0.44 C ATOM 0 H ILE A 81 -15.998 -4.465 2.681 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.436 -5.783 2.918 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.171 -6.248 4.149 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.838 -4.266 4.898 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.192 -5.416 6.172 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.087 -7.918 5.607 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.052 -8.410 3.897 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.586 -7.757 4.666 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -12.890 -4.611 6.334 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -12.918 -6.354 5.977 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.558 -5.186 4.683 1.00 0.44 H new ATOM 1199 N SER A 82 -13.717 -7.763 1.452 1.00 0.41 N ATOM 1200 CA SER A 82 -13.834 -8.912 0.577 1.00 0.47 C ATOM 1201 C SER A 82 -14.388 -10.091 1.359 1.00 0.54 C ATOM 1202 O SER A 82 -13.807 -10.508 2.358 1.00 0.61 O ATOM 1203 CB SER A 82 -12.473 -9.273 -0.025 1.00 0.57 C ATOM 1204 OG SER A 82 -12.570 -10.401 -0.877 1.00 0.79 O ATOM 0 H SER A 82 -12.759 -7.533 1.718 1.00 0.41 H new ATOM 0 HA SER A 82 -14.514 -8.666 -0.239 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.084 -8.423 -0.586 1.00 0.57 H new ATOM 0 HB3 SER A 82 -11.762 -9.479 0.775 1.00 0.57 H new ATOM 0 HG SER A 82 -11.687 -10.607 -1.248 1.00 0.79 H new ATOM 1210 N LYS A 83 -15.500 -10.630 0.893 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.174 -11.718 1.587 1.00 0.80 C ATOM 1212 C LYS A 83 -15.393 -13.019 1.442 1.00 0.81 C ATOM 1213 O LYS A 83 -15.704 -14.022 2.083 1.00 0.91 O ATOM 1214 CB LYS A 83 -17.587 -11.887 1.039 1.00 0.98 C ATOM 1215 CG LYS A 83 -18.434 -10.632 1.160 1.00 1.06 C ATOM 1216 CD LYS A 83 -19.812 -10.829 0.554 1.00 1.34 C ATOM 1217 CE LYS A 83 -20.598 -9.530 0.524 1.00 2.08 C ATOM 1218 NZ LYS A 83 -21.954 -9.718 -0.052 1.00 2.62 N ATOM 0 H LYS A 83 -15.959 -10.332 0.032 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.229 -11.471 2.647 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.530 -12.178 -0.010 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.080 -12.702 1.570 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -18.533 -10.359 2.211 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -17.931 -9.803 0.661 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -19.713 -11.219 -0.459 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -20.361 -11.574 1.130 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -20.685 -9.134 1.536 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -20.054 -8.789 -0.062 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.459 -8.809 -0.055 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -21.871 -10.071 -1.027 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -22.483 -10.406 0.522 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.370 -12.983 0.598 1.00 0.76 N ATOM 1233 CA LEU A 84 -13.536 -14.142 0.350 1.00 0.81 C ATOM 1234 C LEU A 84 -12.626 -14.427 1.538 1.00 0.76 C ATOM 1235 O LEU A 84 -12.517 -15.568 1.990 1.00 0.81 O ATOM 1236 CB LEU A 84 -12.685 -13.918 -0.900 1.00 0.90 C ATOM 1237 CG LEU A 84 -13.461 -13.657 -2.193 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -12.498 -13.427 -3.347 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -14.399 -14.813 -2.505 1.00 1.25 C ATOM 0 H LEU A 84 -14.100 -12.153 0.071 1.00 0.76 H new ATOM 0 HA LEU A 84 -14.190 -15.001 0.199 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -12.022 -13.072 -0.719 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -12.052 -14.793 -1.048 1.00 0.90 H new ATOM 0 HG LEU A 84 -14.064 -12.760 -2.056 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -13.063 -13.243 -4.261 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -11.868 -12.564 -3.129 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -11.872 -14.309 -3.479 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -14.939 -14.604 -3.428 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -13.821 -15.729 -2.622 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -15.110 -14.935 -1.688 1.00 1.25 H new ATOM 1251 N ASP A 85 -11.979 -13.386 2.049 1.00 0.72 N ATOM 1252 CA ASP A 85 -10.966 -13.567 3.092 1.00 0.75 C ATOM 1253 C ASP A 85 -11.105 -12.546 4.226 1.00 0.66 C ATOM 1254 O ASP A 85 -10.409 -12.635 5.235 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.567 -13.477 2.473 1.00 0.85 C ATOM 1256 CG ASP A 85 -8.492 -14.090 3.351 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -7.874 -13.357 4.151 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -8.244 -15.308 3.226 1.00 1.42 O ATOM 0 H ASP A 85 -12.132 -12.418 1.765 1.00 0.72 H new ATOM 0 HA ASP A 85 -11.118 -14.554 3.529 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.570 -13.980 1.506 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -9.324 -12.431 2.287 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.014 -11.591 4.072 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.170 -10.549 5.074 1.00 0.56 C ATOM 1265 C GLY A 86 -11.173 -9.416 4.907 1.00 0.48 C ATOM 1266 O GLY A 86 -10.987 -8.605 5.813 1.00 0.50 O ATOM 0 H GLY A 86 -12.645 -11.518 3.274 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.182 -10.147 5.019 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.054 -10.985 6.066 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.538 -9.358 3.745 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.545 -8.327 3.462 1.00 0.39 C ATOM 1272 C ARG A 87 -10.204 -7.144 2.768 1.00 0.33 C ATOM 1273 O ARG A 87 -11.130 -7.323 1.982 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.439 -8.896 2.569 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.728 -10.093 3.175 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.648 -10.636 2.255 1.00 0.96 C ATOM 1277 NE ARG A 87 -6.104 -11.903 2.751 1.00 1.25 N ATOM 1278 CZ ARG A 87 -4.889 -12.370 2.460 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -4.051 -11.661 1.716 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.505 -13.549 2.931 1.00 2.10 N ATOM 0 H ARG A 87 -10.692 -10.014 2.980 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.109 -7.992 4.403 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -8.870 -9.186 1.611 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -7.708 -8.113 2.366 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.283 -9.807 4.128 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.454 -10.878 3.385 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.060 -10.782 1.256 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -5.845 -9.905 2.165 1.00 0.96 H new ATOM 0 HE ARG A 87 -6.696 -12.467 3.361 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -4.333 -10.748 1.360 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -3.124 -12.029 1.500 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -5.138 -14.096 3.514 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.576 -13.909 2.710 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.743 -5.941 3.075 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.237 -4.745 2.409 1.00 0.26 C ATOM 1296 C LEU A 88 -9.864 -4.766 0.936 1.00 0.24 C ATOM 1297 O LEU A 88 -8.688 -4.852 0.585 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.675 -3.483 3.061 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.286 -3.110 4.409 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.412 -2.089 5.114 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.686 -2.546 4.219 1.00 0.44 C ATOM 0 H LEU A 88 -9.028 -5.767 3.781 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.323 -4.734 2.506 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.600 -3.611 3.192 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.815 -2.648 2.375 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.349 -4.010 5.021 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.857 -1.830 6.075 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.419 -2.510 5.276 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.331 -1.193 4.499 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.108 -2.285 5.190 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.637 -1.655 3.593 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.317 -3.293 3.738 1.00 0.44 H new ATOM 1313 N SER A 89 -10.868 -4.685 0.085 1.00 0.22 N ATOM 1314 CA SER A 89 -10.666 -4.722 -1.348 1.00 0.23 C ATOM 1315 C SER A 89 -11.325 -3.513 -1.997 1.00 0.21 C ATOM 1316 O SER A 89 -12.444 -3.139 -1.640 1.00 0.22 O ATOM 1317 CB SER A 89 -11.241 -6.015 -1.934 1.00 0.28 C ATOM 1318 OG SER A 89 -11.039 -6.079 -3.337 1.00 0.55 O ATOM 0 H SER A 89 -11.844 -4.592 0.367 1.00 0.22 H new ATOM 0 HA SER A 89 -9.596 -4.694 -1.552 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.770 -6.874 -1.457 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.307 -6.074 -1.715 1.00 0.28 H new ATOM 0 HG SER A 89 -11.414 -6.915 -3.684 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.618 -2.883 -2.920 1.00 0.22 N ATOM 1325 CA CYS A 90 -11.155 -1.737 -3.634 1.00 0.24 C ATOM 1326 C CYS A 90 -11.954 -2.213 -4.846 1.00 0.27 C ATOM 1327 O CYS A 90 -11.896 -3.390 -5.212 1.00 0.31 O ATOM 1328 CB CYS A 90 -10.024 -0.786 -4.057 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.850 -1.490 -5.239 1.00 0.28 S ATOM 0 H CYS A 90 -9.671 -3.146 -3.192 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.823 -1.185 -2.972 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -10.465 0.110 -4.493 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.479 -0.472 -3.167 1.00 0.25 H new ATOM 0 HG CYS A 90 -7.642 -1.371 -4.774 1.00 0.28 H new ATOM 1334 N THR A 91 -12.693 -1.296 -5.464 1.00 0.30 N ATOM 1335 CA THR A 91 -13.557 -1.621 -6.594 1.00 0.36 C ATOM 1336 C THR A 91 -12.760 -2.016 -7.834 1.00 0.43 C ATOM 1337 O THR A 91 -13.323 -2.511 -8.809 1.00 0.54 O ATOM 1338 CB THR A 91 -14.462 -0.427 -6.946 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.677 0.771 -7.045 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.552 -0.242 -5.902 1.00 0.38 C ATOM 0 H THR A 91 -12.710 -0.312 -5.197 1.00 0.30 H new ATOM 0 HA THR A 91 -14.163 -2.473 -6.287 1.00 0.36 H new ATOM 0 HB THR A 91 -14.936 -0.631 -7.906 1.00 0.39 H new ATOM 0 HG1 THR A 91 -13.188 0.772 -7.894 1.00 0.43 H new ATOM 0 HG21 THR A 91 -16.177 0.608 -6.175 1.00 0.38 H new ATOM 0 HG22 THR A 91 -16.165 -1.142 -5.853 1.00 0.38 H new ATOM 0 HG23 THR A 91 -15.096 -0.060 -4.929 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.450 -1.816 -7.784 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.600 -2.035 -8.942 1.00 0.52 C ATOM 1350 C GLU A 92 -9.980 -3.428 -8.914 1.00 0.51 C ATOM 1351 O GLU A 92 -8.924 -3.662 -9.502 1.00 0.63 O ATOM 1352 CB GLU A 92 -9.491 -0.982 -8.989 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.987 0.450 -8.826 1.00 0.66 C ATOM 1354 CD GLU A 92 -11.080 0.821 -9.808 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -12.260 0.894 -9.391 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -10.770 1.056 -10.993 1.00 1.54 O ATOM 0 H GLU A 92 -10.953 -1.502 -6.950 1.00 0.43 H new ATOM 0 HA GLU A 92 -11.221 -1.950 -9.834 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.767 -1.196 -8.203 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.964 -1.067 -9.939 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -10.359 0.585 -7.810 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -9.148 1.134 -8.951 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.628 -4.352 -8.220 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.119 -5.717 -8.119 1.00 0.53 C ATOM 1365 C HIS A 93 -11.135 -6.722 -8.633 1.00 0.67 C ATOM 1366 O HIS A 93 -11.451 -7.701 -7.955 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.753 -6.066 -6.676 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.572 -5.320 -6.146 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.736 -4.542 -6.913 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.099 -5.246 -4.882 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.802 -4.026 -6.106 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -6.977 -4.424 -4.858 1.00 0.32 N ATOM 0 H HIS A 93 -11.502 -4.186 -7.721 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.222 -5.769 -8.737 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.612 -5.865 -6.036 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.551 -7.135 -6.613 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.814 -4.386 -7.918 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.525 -5.746 -4.025 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -6.009 -3.370 -6.432 1.00 0.36 H new ATOM 1380 N ASP A 94 -11.639 -6.481 -9.827 1.00 0.83 N ATOM 1381 CA ASP A 94 -12.586 -7.397 -10.442 1.00 1.02 C ATOM 1382 C ASP A 94 -11.847 -8.598 -11.008 1.00 1.33 C ATOM 1383 O ASP A 94 -12.114 -9.731 -10.558 1.00 1.92 O ATOM 1384 CB ASP A 94 -13.386 -6.705 -11.542 1.00 1.54 C ATOM 1385 CG ASP A 94 -14.419 -7.628 -12.154 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.484 -7.823 -11.532 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -14.172 -8.159 -13.256 1.00 2.65 O ATOM 1388 OXT ASP A 94 -10.961 -8.398 -11.865 1.00 1.91 O ATOM 0 H ASP A 94 -11.411 -5.662 -10.391 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.286 -7.732 -9.677 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -13.882 -5.826 -11.132 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -12.707 -6.354 -12.319 1.00 1.54 H new