USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 455 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 Single : A 8 CYS SG : rot -65:sc= -4.14! USER MOD Single : A 9 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= -0.26 K(o=-0.26,f=-4.8!) USER MOD Single : A 20 SER OG : rot 12:sc= -0.337! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 0.387 (180deg=-0.782!) USER MOD Single : A 38 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 39 MET CE :methyl -137:sc= -0.142 (180deg=-2.91!) USER MOD Single : A 46 THR OG1 : rot -82:sc= 0.196 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -32:sc= 0.0484 USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= 1.27 (180deg=1.13) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 2.03 (180deg=1.87) USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.560 -13.645 -1.757 1.00 0.00 N ATOM 51 CA GLU A 4 -7.813 -12.503 -0.889 1.00 0.00 C ATOM 52 C GLU A 4 -6.512 -11.893 -0.396 1.00 0.00 C ATOM 53 O GLU A 4 -5.731 -12.539 0.305 1.00 0.00 O ATOM 54 CB GLU A 4 -8.666 -12.905 0.304 1.00 0.00 C ATOM 55 CG GLU A 4 -10.122 -13.138 -0.036 1.00 0.00 C ATOM 56 CD GLU A 4 -10.893 -13.720 1.130 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.378 -13.674 2.270 1.00 0.00 O ATOM 58 OE2 GLU A 4 -12.010 -14.236 0.918 1.00 0.00 O ATOM 0 HA GLU A 4 -8.352 -11.761 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.255 -13.814 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.600 -12.127 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.579 -12.195 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.191 -13.813 -0.889 1.00 0.00 H new ATOM 65 N VAL A 5 -6.290 -10.653 -0.778 1.00 0.00 N ATOM 66 CA VAL A 5 -5.090 -9.939 -0.385 1.00 0.00 C ATOM 67 C VAL A 5 -5.366 -9.094 0.852 1.00 0.00 C ATOM 68 O VAL A 5 -6.256 -8.240 0.843 1.00 0.00 O ATOM 69 CB VAL A 5 -4.572 -9.017 -1.508 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.143 -8.591 -1.224 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.666 -9.692 -2.868 1.00 0.00 C ATOM 0 H VAL A 5 -6.928 -10.115 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.327 -10.688 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.206 -8.130 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.791 -7.941 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.105 -8.053 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.505 -9.473 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.293 -9.015 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.067 -10.603 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.706 -9.943 -3.079 1.00 0.00 H new ATOM 81 N ARG A 6 -4.621 -9.347 1.916 1.00 0.00 N ATOM 82 CA ARG A 6 -4.752 -8.565 3.138 1.00 0.00 C ATOM 83 C ARG A 6 -3.390 -8.018 3.534 1.00 0.00 C ATOM 84 O ARG A 6 -2.364 -8.615 3.207 1.00 0.00 O ATOM 85 CB ARG A 6 -5.335 -9.390 4.298 1.00 0.00 C ATOM 86 CG ARG A 6 -6.511 -10.281 3.921 1.00 0.00 C ATOM 87 CD ARG A 6 -6.029 -11.657 3.499 1.00 0.00 C ATOM 88 NE ARG A 6 -7.118 -12.602 3.255 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.952 -13.925 3.254 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.763 -14.445 3.538 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.975 -14.726 2.975 1.00 0.00 N ATOM 0 H ARG A 6 -3.920 -10.086 1.960 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.446 -7.749 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.544 -10.013 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.652 -8.708 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.190 -10.372 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.075 -9.823 3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.430 -11.562 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.375 -12.059 4.273 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.051 -12.231 3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.977 -13.832 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.636 -15.457 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.890 -14.329 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.845 -15.738 2.975 1.00 0.00 H new ATOM 105 N ASP A 7 -3.382 -6.902 4.244 1.00 0.00 N ATOM 106 CA ASP A 7 -2.139 -6.252 4.639 1.00 0.00 C ATOM 107 C ASP A 7 -1.539 -6.961 5.850 1.00 0.00 C ATOM 108 O ASP A 7 -2.007 -8.033 6.244 1.00 0.00 O ATOM 109 CB ASP A 7 -2.395 -4.777 4.957 1.00 0.00 C ATOM 110 CG ASP A 7 -3.111 -4.573 6.278 1.00 0.00 C ATOM 111 OD1 ASP A 7 -3.992 -5.384 6.619 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.786 -3.598 6.981 1.00 0.00 O ATOM 0 H ASP A 7 -4.225 -6.424 4.561 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.430 -6.312 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.444 -4.245 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.988 -4.336 4.156 1.00 0.00 H new ATOM 117 N CYS A 8 -0.510 -6.367 6.442 1.00 0.00 N ATOM 118 CA CYS A 8 0.142 -6.958 7.606 1.00 0.00 C ATOM 119 C CYS A 8 -0.824 -7.042 8.784 1.00 0.00 C ATOM 120 O CYS A 8 -0.686 -7.900 9.654 1.00 0.00 O ATOM 121 CB CYS A 8 1.370 -6.139 8.000 1.00 0.00 C ATOM 122 SG CYS A 8 0.994 -4.429 8.446 1.00 0.00 S ATOM 0 H CYS A 8 -0.110 -5.480 6.137 1.00 0.00 H new ATOM 0 HA CYS A 8 0.457 -7.967 7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.864 -6.624 8.842 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.078 -6.141 7.171 1.00 0.00 H new ATOM 0 HG CYS A 8 0.529 -3.802 7.407 1.00 0.00 H new ATOM 128 N ASN A 9 -1.808 -6.150 8.792 1.00 0.00 N ATOM 129 CA ASN A 9 -2.791 -6.104 9.862 1.00 0.00 C ATOM 130 C ASN A 9 -3.789 -7.230 9.700 1.00 0.00 C ATOM 131 O ASN A 9 -4.214 -7.851 10.673 1.00 0.00 O ATOM 132 CB ASN A 9 -3.541 -4.777 9.834 1.00 0.00 C ATOM 133 CG ASN A 9 -4.000 -4.339 11.213 1.00 0.00 C ATOM 134 OD1 ASN A 9 -3.383 -4.676 12.227 1.00 0.00 O ATOM 135 ND2 ASN A 9 -5.076 -3.570 11.261 1.00 0.00 N ATOM 0 H ASN A 9 -1.944 -5.447 8.065 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.267 -6.208 10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.896 -4.008 9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.407 -4.867 9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.423 -3.234 12.159 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.558 -3.313 10.400 1.00 0.00 H new ATOM 142 N GLY A 10 -4.158 -7.482 8.455 1.00 0.00 N ATOM 143 CA GLY A 10 -5.129 -8.504 8.160 1.00 0.00 C ATOM 144 C GLY A 10 -6.363 -7.925 7.511 1.00 0.00 C ATOM 145 O GLY A 10 -7.390 -8.595 7.389 1.00 0.00 O ATOM 0 H GLY A 10 -3.796 -6.990 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.685 -9.249 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.408 -9.019 9.080 1.00 0.00 H new ATOM 149 N ALA A 11 -6.263 -6.672 7.093 1.00 0.00 N ATOM 150 CA ALA A 11 -7.373 -5.989 6.457 1.00 0.00 C ATOM 151 C ALA A 11 -7.373 -6.270 4.965 1.00 0.00 C ATOM 152 O ALA A 11 -6.336 -6.182 4.307 1.00 0.00 O ATOM 153 CB ALA A 11 -7.297 -4.493 6.720 1.00 0.00 C ATOM 0 H ALA A 11 -5.419 -6.107 7.185 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.305 -6.363 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.137 -3.995 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.337 -4.310 7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.363 -4.100 6.319 1.00 0.00 H new ATOM 159 N LEU A 12 -8.533 -6.628 4.444 1.00 0.00 N ATOM 160 CA LEU A 12 -8.670 -6.954 3.034 1.00 0.00 C ATOM 161 C LEU A 12 -8.505 -5.720 2.160 1.00 0.00 C ATOM 162 O LEU A 12 -9.124 -4.681 2.401 1.00 0.00 O ATOM 163 CB LEU A 12 -10.024 -7.612 2.773 1.00 0.00 C ATOM 164 CG LEU A 12 -10.090 -9.103 3.104 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.536 -9.556 3.250 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.397 -9.908 2.016 1.00 0.00 C ATOM 0 H LEU A 12 -9.399 -6.701 4.979 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.877 -7.655 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.783 -7.091 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.281 -7.476 1.722 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.579 -9.271 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.562 -10.620 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.014 -8.995 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.069 -9.378 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.449 -10.969 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.892 -9.731 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.353 -9.602 1.946 1.00 0.00 H new ATOM 178 N LEU A 13 -7.673 -5.856 1.144 1.00 0.00 N ATOM 179 CA LEU A 13 -7.404 -4.782 0.211 1.00 0.00 C ATOM 180 C LEU A 13 -8.266 -4.947 -1.024 1.00 0.00 C ATOM 181 O LEU A 13 -9.009 -5.927 -1.149 1.00 0.00 O ATOM 182 CB LEU A 13 -5.927 -4.782 -0.187 1.00 0.00 C ATOM 183 CG LEU A 13 -4.954 -4.362 0.914 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.518 -4.621 0.483 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.150 -2.892 1.252 1.00 0.00 C ATOM 0 H LEU A 13 -7.164 -6.717 0.944 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.639 -3.833 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.658 -5.783 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.797 -4.114 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.157 -4.956 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.839 -4.316 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.385 -5.684 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.300 -4.049 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.452 -2.603 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.968 -2.287 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.171 -2.731 1.597 1.00 0.00 H new ATOM 197 N ALA A 14 -8.163 -4.004 -1.938 1.00 0.00 N ATOM 198 CA ALA A 14 -8.937 -4.057 -3.156 1.00 0.00 C ATOM 199 C ALA A 14 -8.247 -3.288 -4.267 1.00 0.00 C ATOM 200 O ALA A 14 -7.179 -2.712 -4.065 1.00 0.00 O ATOM 201 CB ALA A 14 -10.332 -3.521 -2.911 1.00 0.00 C ATOM 0 H ALA A 14 -7.550 -3.193 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.018 -5.097 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.907 -3.566 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.825 -4.124 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.270 -2.487 -2.572 1.00 0.00 H new ATOM 207 N ASP A 15 -8.853 -3.296 -5.439 1.00 0.00 N ATOM 208 CA ASP A 15 -8.293 -2.618 -6.591 1.00 0.00 C ATOM 209 C ASP A 15 -8.602 -1.127 -6.510 1.00 0.00 C ATOM 210 O ASP A 15 -9.759 -0.718 -6.609 1.00 0.00 O ATOM 211 CB ASP A 15 -8.877 -3.221 -7.865 1.00 0.00 C ATOM 212 CG ASP A 15 -7.990 -3.010 -9.074 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.089 -3.848 -9.296 1.00 0.00 O ATOM 214 OD2 ASP A 15 -8.194 -2.026 -9.813 1.00 0.00 O ATOM 0 H ASP A 15 -9.739 -3.768 -5.618 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.211 -2.746 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.034 -4.289 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.855 -2.779 -8.056 1.00 0.00 H new ATOM 219 N GLY A 16 -7.566 -0.327 -6.302 1.00 0.00 N ATOM 220 CA GLY A 16 -7.746 1.101 -6.130 1.00 0.00 C ATOM 221 C GLY A 16 -7.738 1.494 -4.664 1.00 0.00 C ATOM 222 O GLY A 16 -8.343 2.495 -4.275 1.00 0.00 O ATOM 0 H GLY A 16 -6.598 -0.644 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.953 1.634 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.689 1.406 -6.584 1.00 0.00 H new ATOM 226 N ASP A 17 -7.048 0.701 -3.856 1.00 0.00 N ATOM 227 CA ASP A 17 -6.996 0.911 -2.410 1.00 0.00 C ATOM 228 C ASP A 17 -5.716 1.655 -2.026 1.00 0.00 C ATOM 229 O ASP A 17 -4.885 1.954 -2.881 1.00 0.00 O ATOM 230 CB ASP A 17 -7.068 -0.431 -1.675 1.00 0.00 C ATOM 231 CG ASP A 17 -7.607 -0.297 -0.261 1.00 0.00 C ATOM 232 OD1 ASP A 17 -6.826 0.027 0.656 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.819 -0.503 -0.063 1.00 0.00 O ATOM 0 H ASP A 17 -6.510 -0.103 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.853 1.517 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.703 -1.115 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.073 -0.875 -1.640 1.00 0.00 H new ATOM 238 N ASN A 18 -5.572 1.976 -0.751 1.00 0.00 N ATOM 239 CA ASN A 18 -4.390 2.675 -0.265 1.00 0.00 C ATOM 240 C ASN A 18 -3.789 1.964 0.934 1.00 0.00 C ATOM 241 O ASN A 18 -4.494 1.532 1.843 1.00 0.00 O ATOM 242 CB ASN A 18 -4.699 4.132 0.100 1.00 0.00 C ATOM 243 CG ASN A 18 -6.057 4.316 0.739 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.215 4.201 1.948 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.044 4.622 -0.083 1.00 0.00 N ATOM 0 H ASN A 18 -6.261 1.763 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.666 2.673 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.932 4.498 0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.643 4.744 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.984 4.773 0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.866 4.707 -1.084 1.00 0.00 H new ATOM 252 N VAL A 19 -2.475 1.845 0.921 1.00 0.00 N ATOM 253 CA VAL A 19 -1.739 1.237 2.019 1.00 0.00 C ATOM 254 C VAL A 19 -0.670 2.197 2.524 1.00 0.00 C ATOM 255 O VAL A 19 -0.546 3.311 2.019 1.00 0.00 O ATOM 256 CB VAL A 19 -1.075 -0.094 1.604 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.123 -1.113 1.191 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.074 0.124 0.479 1.00 0.00 C ATOM 0 H VAL A 19 -1.887 2.165 0.152 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.456 1.024 2.812 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.537 -0.483 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.633 -2.043 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.796 -1.302 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.693 -0.727 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.379 -0.829 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.586 0.544 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.702 0.813 0.811 1.00 0.00 H new ATOM 268 N SER A 20 0.087 1.783 3.529 1.00 0.00 N ATOM 269 CA SER A 20 1.164 2.605 4.063 1.00 0.00 C ATOM 270 C SER A 20 2.239 1.745 4.730 1.00 0.00 C ATOM 271 O SER A 20 1.955 0.656 5.221 1.00 0.00 O ATOM 272 CB SER A 20 0.605 3.635 5.050 1.00 0.00 C ATOM 273 OG SER A 20 -0.259 4.555 4.405 1.00 0.00 O ATOM 0 H SER A 20 -0.024 0.881 3.992 1.00 0.00 H new ATOM 0 HA SER A 20 1.632 3.134 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.064 3.122 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.427 4.174 5.520 1.00 0.00 H new ATOM 0 HG SER A 20 -0.474 4.228 3.507 1.00 0.00 H new ATOM 279 N LEU A 21 3.473 2.236 4.718 1.00 0.00 N ATOM 280 CA LEU A 21 4.612 1.535 5.317 1.00 0.00 C ATOM 281 C LEU A 21 4.466 1.442 6.835 1.00 0.00 C ATOM 282 O LEU A 21 4.209 2.448 7.499 1.00 0.00 O ATOM 283 CB LEU A 21 5.915 2.273 4.973 1.00 0.00 C ATOM 284 CG LEU A 21 6.552 1.944 3.616 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.111 0.535 3.626 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.561 2.113 2.475 1.00 0.00 C ATOM 0 H LEU A 21 3.716 3.131 4.294 1.00 0.00 H new ATOM 0 HA LEU A 21 4.640 0.524 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.719 3.345 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.645 2.058 5.753 1.00 0.00 H new ATOM 0 HG LEU A 21 7.367 2.649 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.560 0.315 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.869 0.450 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.307 -0.174 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.049 1.871 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.713 1.445 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.210 3.144 2.448 1.00 0.00 H new ATOM 298 N ILE A 22 4.643 0.242 7.390 1.00 0.00 N ATOM 299 CA ILE A 22 4.542 0.057 8.842 1.00 0.00 C ATOM 300 C ILE A 22 5.904 0.206 9.503 1.00 0.00 C ATOM 301 O ILE A 22 6.018 0.258 10.727 1.00 0.00 O ATOM 302 CB ILE A 22 3.950 -1.316 9.222 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.883 -2.452 8.787 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.576 -1.482 8.597 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.442 -3.821 9.262 1.00 0.00 C ATOM 0 H ILE A 22 4.854 -0.607 6.866 1.00 0.00 H new ATOM 0 HA ILE A 22 3.866 0.833 9.202 1.00 0.00 H new ATOM 0 HB ILE A 22 3.849 -1.362 10.306 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.949 -2.459 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.885 -2.252 9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.167 -2.454 8.871 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.914 -0.695 8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.659 -1.416 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.151 -4.572 8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.404 -3.833 10.351 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.453 -4.044 8.862 1.00 0.00 H new ATOM 317 N LYS A 23 6.926 0.278 8.673 1.00 0.00 N ATOM 318 CA LYS A 23 8.297 0.444 9.116 1.00 0.00 C ATOM 319 C LYS A 23 9.097 1.049 7.974 1.00 0.00 C ATOM 320 O LYS A 23 8.535 1.329 6.915 1.00 0.00 O ATOM 321 CB LYS A 23 8.908 -0.896 9.559 1.00 0.00 C ATOM 322 CG LYS A 23 8.457 -2.084 8.729 1.00 0.00 C ATOM 323 CD LYS A 23 9.589 -3.078 8.505 1.00 0.00 C ATOM 324 CE LYS A 23 9.998 -3.767 9.792 1.00 0.00 C ATOM 325 NZ LYS A 23 11.182 -4.650 9.610 1.00 0.00 N ATOM 0 H LYS A 23 6.827 0.222 7.659 1.00 0.00 H new ATOM 0 HA LYS A 23 8.321 1.106 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.994 -0.822 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.648 -1.075 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.628 -2.584 9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.084 -1.735 7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.277 -3.826 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.449 -2.560 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.222 -3.015 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.162 -4.357 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.423 -5.098 10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.962 -5.385 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.989 -4.084 9.278 1.00 0.00 H new ATOM 339 N ASP A 24 10.386 1.257 8.177 1.00 0.00 N ATOM 340 CA ASP A 24 11.223 1.838 7.138 1.00 0.00 C ATOM 341 C ASP A 24 11.829 0.736 6.284 1.00 0.00 C ATOM 342 O ASP A 24 12.709 0.001 6.735 1.00 0.00 O ATOM 343 CB ASP A 24 12.342 2.693 7.738 1.00 0.00 C ATOM 344 CG ASP A 24 11.889 3.530 8.913 1.00 0.00 C ATOM 345 OD1 ASP A 24 10.986 4.370 8.744 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.445 3.358 10.019 1.00 0.00 O ATOM 0 H ASP A 24 10.875 1.035 9.044 1.00 0.00 H new ATOM 0 HA ASP A 24 10.594 2.480 6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.156 2.042 8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.742 3.350 6.966 1.00 0.00 H new ATOM 351 N LEU A 25 11.344 0.616 5.062 1.00 0.00 N ATOM 352 CA LEU A 25 11.838 -0.394 4.140 1.00 0.00 C ATOM 353 C LEU A 25 12.558 0.252 2.977 1.00 0.00 C ATOM 354 O LEU A 25 11.942 0.912 2.142 1.00 0.00 O ATOM 355 CB LEU A 25 10.703 -1.262 3.570 1.00 0.00 C ATOM 356 CG LEU A 25 10.008 -2.233 4.531 1.00 0.00 C ATOM 357 CD1 LEU A 25 11.010 -3.099 5.274 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.121 -1.502 5.508 1.00 0.00 C ATOM 0 H LEU A 25 10.605 1.208 4.682 1.00 0.00 H new ATOM 0 HA LEU A 25 12.519 -1.025 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.945 -0.597 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.106 -1.841 2.739 1.00 0.00 H new ATOM 0 HG LEU A 25 9.382 -2.886 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.480 -3.774 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.590 -3.681 4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.681 -2.464 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.644 -2.221 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.721 -0.806 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.356 -0.950 4.962 1.00 0.00 H new ATOM 511 N LYS A 35 10.327 5.138 4.116 1.00 0.00 N ATOM 512 CA LYS A 35 10.172 5.332 5.553 1.00 0.00 C ATOM 513 C LYS A 35 8.790 4.924 6.047 1.00 0.00 C ATOM 514 O LYS A 35 7.838 4.808 5.273 1.00 0.00 O ATOM 515 CB LYS A 35 10.418 6.801 5.903 1.00 0.00 C ATOM 516 CG LYS A 35 11.887 7.176 6.020 1.00 0.00 C ATOM 517 CD LYS A 35 12.486 6.673 7.322 1.00 0.00 C ATOM 518 CE LYS A 35 11.785 7.278 8.533 1.00 0.00 C ATOM 519 NZ LYS A 35 12.188 6.608 9.796 1.00 0.00 N ATOM 0 HA LYS A 35 10.904 4.693 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.954 7.427 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.921 7.026 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.439 6.758 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.993 8.259 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.410 5.586 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.547 6.920 7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.019 8.341 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.705 7.196 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.056 7.262 10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.602 5.761 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.189 6.330 9.738 1.00 0.00 H new ATOM 533 N ARG A 36 8.701 4.718 7.347 1.00 0.00 N ATOM 534 CA ARG A 36 7.449 4.396 8.006 1.00 0.00 C ATOM 535 C ARG A 36 6.426 5.507 7.793 1.00 0.00 C ATOM 536 O ARG A 36 6.749 6.692 7.886 1.00 0.00 O ATOM 537 CB ARG A 36 7.700 4.193 9.497 1.00 0.00 C ATOM 538 CG ARG A 36 6.522 3.603 10.246 1.00 0.00 C ATOM 539 CD ARG A 36 6.907 3.272 11.672 1.00 0.00 C ATOM 540 NE ARG A 36 5.828 2.596 12.390 1.00 0.00 N ATOM 541 CZ ARG A 36 5.361 2.986 13.573 1.00 0.00 C ATOM 542 NH1 ARG A 36 5.872 4.052 14.179 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.388 2.301 14.161 1.00 0.00 N ATOM 0 H ARG A 36 9.500 4.770 7.980 1.00 0.00 H new ATOM 0 HA ARG A 36 7.049 3.478 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.563 3.539 9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.959 5.152 9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.692 4.309 10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.176 2.702 9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.793 2.638 11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.173 4.189 12.198 1.00 0.00 H new ATOM 0 HE ARG A 36 5.407 1.774 11.957 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.627 4.577 13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.509 4.346 15.086 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.998 1.476 13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.030 2.600 15.068 1.00 0.00 H new ATOM 557 N GLY A 37 5.196 5.118 7.497 1.00 0.00 N ATOM 558 CA GLY A 37 4.145 6.093 7.294 1.00 0.00 C ATOM 559 C GLY A 37 4.015 6.531 5.849 1.00 0.00 C ATOM 560 O GLY A 37 3.134 7.327 5.519 1.00 0.00 O ATOM 0 H GLY A 37 4.906 4.145 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.197 5.671 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.342 6.966 7.916 1.00 0.00 H new ATOM 564 N THR A 38 4.895 6.031 4.986 1.00 0.00 N ATOM 565 CA THR A 38 4.800 6.314 3.560 1.00 0.00 C ATOM 566 C THR A 38 3.510 5.729 3.000 1.00 0.00 C ATOM 567 O THR A 38 3.335 4.510 2.963 1.00 0.00 O ATOM 568 CB THR A 38 6.007 5.745 2.782 1.00 0.00 C ATOM 569 OG1 THR A 38 7.218 6.325 3.279 1.00 0.00 O ATOM 570 CG2 THR A 38 5.890 6.028 1.290 1.00 0.00 C ATOM 0 H THR A 38 5.677 5.431 5.249 1.00 0.00 H new ATOM 0 HA THR A 38 4.800 7.397 3.437 1.00 0.00 H new ATOM 0 HB THR A 38 6.021 4.665 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.619 5.726 3.943 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.755 5.614 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.981 5.568 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.850 7.105 1.126 1.00 0.00 H new ATOM 578 N MET A 39 2.600 6.598 2.592 1.00 0.00 N ATOM 579 CA MET A 39 1.320 6.155 2.082 1.00 0.00 C ATOM 580 C MET A 39 1.415 5.782 0.615 1.00 0.00 C ATOM 581 O MET A 39 1.704 6.619 -0.241 1.00 0.00 O ATOM 582 CB MET A 39 0.242 7.222 2.280 1.00 0.00 C ATOM 583 CG MET A 39 -1.061 6.885 1.571 1.00 0.00 C ATOM 584 SD MET A 39 -2.425 7.949 2.066 1.00 0.00 S ATOM 585 CE MET A 39 -2.669 7.384 3.746 1.00 0.00 C ATOM 0 H MET A 39 2.726 7.610 2.605 1.00 0.00 H new ATOM 0 HA MET A 39 1.037 5.269 2.650 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.049 7.343 3.346 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.613 8.179 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.915 6.968 0.494 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.323 5.847 1.778 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.736 7.283 3.944 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.182 6.418 3.879 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.238 8.107 4.439 1.00 0.00 H new ATOM 595 N ILE A 40 1.177 4.518 0.344 1.00 0.00 N ATOM 596 CA ILE A 40 1.093 4.037 -1.020 1.00 0.00 C ATOM 597 C ILE A 40 -0.373 3.914 -1.410 1.00 0.00 C ATOM 598 O ILE A 40 -1.007 2.887 -1.177 1.00 0.00 O ATOM 599 CB ILE A 40 1.803 2.678 -1.201 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.254 2.772 -0.724 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.749 2.237 -2.658 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.048 1.499 -0.929 1.00 0.00 C ATOM 0 H ILE A 40 1.037 3.799 1.054 1.00 0.00 H new ATOM 0 HA ILE A 40 1.600 4.753 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 40 1.285 1.932 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.749 3.587 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.263 3.028 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.254 1.277 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.709 2.137 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.245 2.981 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.066 1.643 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.578 0.684 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.072 1.252 -1.990 1.00 0.00 H new ATOM 614 N ARG A 41 -0.924 4.985 -1.954 1.00 0.00 N ATOM 615 CA ARG A 41 -2.330 5.005 -2.328 1.00 0.00 C ATOM 616 C ARG A 41 -2.497 4.772 -3.822 1.00 0.00 C ATOM 617 O ARG A 41 -1.767 5.331 -4.635 1.00 0.00 O ATOM 618 CB ARG A 41 -3.007 6.311 -1.871 1.00 0.00 C ATOM 619 CG ARG A 41 -2.114 7.550 -1.908 1.00 0.00 C ATOM 620 CD ARG A 41 -1.842 8.030 -3.324 1.00 0.00 C ATOM 621 NE ARG A 41 -0.926 9.168 -3.345 1.00 0.00 N ATOM 622 CZ ARG A 41 -0.268 9.575 -4.428 1.00 0.00 C ATOM 623 NH1 ARG A 41 -0.410 8.928 -5.581 1.00 0.00 N ATOM 624 NH2 ARG A 41 0.539 10.625 -4.348 1.00 0.00 N ATOM 0 H ARG A 41 -0.422 5.851 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.832 4.186 -1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.878 6.491 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.373 6.176 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.587 8.352 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.168 7.326 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.420 7.213 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.782 8.311 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.782 9.682 -2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.025 8.116 -5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.096 9.243 -6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.652 11.115 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.046 10.942 -5.174 1.00 0.00 H new ATOM 638 N GLY A 42 -3.453 3.927 -4.170 1.00 0.00 N ATOM 639 CA GLY A 42 -3.635 3.540 -5.549 1.00 0.00 C ATOM 640 C GLY A 42 -3.019 2.185 -5.820 1.00 0.00 C ATOM 641 O GLY A 42 -2.283 2.006 -6.791 1.00 0.00 O ATOM 0 H GLY A 42 -4.110 3.500 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.699 3.513 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.182 4.286 -6.202 1.00 0.00 H new ATOM 645 N ILE A 43 -3.300 1.233 -4.939 1.00 0.00 N ATOM 646 CA ILE A 43 -2.781 -0.111 -5.081 1.00 0.00 C ATOM 647 C ILE A 43 -3.825 -0.997 -5.737 1.00 0.00 C ATOM 648 O ILE A 43 -5.025 -0.789 -5.567 1.00 0.00 O ATOM 649 CB ILE A 43 -2.343 -0.715 -3.719 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.541 -1.052 -2.818 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.417 0.249 -2.998 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.010 -2.490 -2.923 1.00 0.00 C ATOM 0 H ILE A 43 -3.887 1.373 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.894 -0.060 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.819 -1.647 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.273 -0.843 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.370 -0.391 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.114 -0.182 -2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.534 0.432 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.937 1.190 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.858 -2.646 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.312 -2.700 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.198 -3.159 -2.639 1.00 0.00 H new ATOM 664 N ARG A 44 -3.367 -1.966 -6.490 1.00 0.00 N ATOM 665 CA ARG A 44 -4.254 -2.886 -7.173 1.00 0.00 C ATOM 666 C ARG A 44 -3.899 -4.318 -6.819 1.00 0.00 C ATOM 667 O ARG A 44 -2.721 -4.653 -6.650 1.00 0.00 O ATOM 668 CB ARG A 44 -4.195 -2.659 -8.691 1.00 0.00 C ATOM 669 CG ARG A 44 -2.781 -2.517 -9.238 1.00 0.00 C ATOM 670 CD ARG A 44 -2.311 -3.763 -9.977 1.00 0.00 C ATOM 671 NE ARG A 44 -3.067 -4.000 -11.207 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.515 -4.165 -12.414 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.201 -4.076 -12.578 1.00 0.00 N ATOM 674 NH2 ARG A 44 -3.286 -4.411 -13.468 1.00 0.00 N ATOM 0 H ARG A 44 -2.375 -2.142 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.277 -2.700 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.686 -3.493 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.761 -1.761 -8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.741 -1.662 -9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.097 -2.307 -8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.253 -3.662 -10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.407 -4.629 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.084 -4.042 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.599 -3.880 -11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.793 -4.204 -13.504 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.298 -4.474 -13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.866 -4.537 -14.389 1.00 0.00 H new ATOM 688 N LEU A 45 -4.920 -5.149 -6.681 1.00 0.00 N ATOM 689 CA LEU A 45 -4.719 -6.550 -6.346 1.00 0.00 C ATOM 690 C LEU A 45 -4.140 -7.278 -7.544 1.00 0.00 C ATOM 691 O LEU A 45 -4.622 -7.115 -8.669 1.00 0.00 O ATOM 692 CB LEU A 45 -6.036 -7.218 -5.932 1.00 0.00 C ATOM 693 CG LEU A 45 -6.813 -6.535 -4.805 1.00 0.00 C ATOM 694 CD1 LEU A 45 -8.072 -7.323 -4.482 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.956 -6.370 -3.560 1.00 0.00 C ATOM 0 H LEU A 45 -5.897 -4.878 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.029 -6.604 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.682 -7.275 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.820 -8.242 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.096 -5.540 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.616 -6.826 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.704 -7.378 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.800 -8.331 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.539 -5.881 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.630 -7.350 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.084 -5.761 -3.797 1.00 0.00 H new ATOM 707 N THR A 46 -3.105 -8.059 -7.306 1.00 0.00 N ATOM 708 CA THR A 46 -2.470 -8.817 -8.364 1.00 0.00 C ATOM 709 C THR A 46 -3.002 -10.243 -8.366 1.00 0.00 C ATOM 710 O THR A 46 -3.984 -10.545 -7.686 1.00 0.00 O ATOM 711 CB THR A 46 -0.936 -8.835 -8.191 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.581 -9.461 -6.947 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.367 -7.423 -8.235 1.00 0.00 C ATOM 0 H THR A 46 -2.685 -8.185 -6.385 1.00 0.00 H new ATOM 0 HA THR A 46 -2.702 -8.337 -9.314 1.00 0.00 H new ATOM 0 HB THR A 46 -0.512 -9.408 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.658 -8.809 -6.219 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.715 -7.463 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.606 -6.964 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.803 -6.830 -7.431 1.00 0.00 H new ATOM 721 N ASP A 47 -2.361 -11.116 -9.128 1.00 0.00 N ATOM 722 CA ASP A 47 -2.700 -12.535 -9.107 1.00 0.00 C ATOM 723 C ASP A 47 -1.989 -13.214 -7.936 1.00 0.00 C ATOM 724 O ASP A 47 -2.008 -14.439 -7.795 1.00 0.00 O ATOM 725 CB ASP A 47 -2.328 -13.206 -10.436 1.00 0.00 C ATOM 726 CG ASP A 47 -0.833 -13.315 -10.665 1.00 0.00 C ATOM 727 OD1 ASP A 47 -0.142 -12.273 -10.682 1.00 0.00 O ATOM 728 OD2 ASP A 47 -0.345 -14.447 -10.857 1.00 0.00 O ATOM 0 H ASP A 47 -1.605 -10.870 -9.767 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.777 -12.640 -8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.765 -14.204 -10.464 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.772 -12.641 -11.255 1.00 0.00 H new ATOM 733 N SER A 48 -1.360 -12.391 -7.107 1.00 0.00 N ATOM 734 CA SER A 48 -0.732 -12.827 -5.883 1.00 0.00 C ATOM 735 C SER A 48 -1.528 -12.311 -4.684 1.00 0.00 C ATOM 736 O SER A 48 -2.139 -11.245 -4.753 1.00 0.00 O ATOM 737 CB SER A 48 0.695 -12.293 -5.847 1.00 0.00 C ATOM 738 OG SER A 48 1.477 -12.876 -6.877 1.00 0.00 O ATOM 0 H SER A 48 -1.275 -11.389 -7.275 1.00 0.00 H new ATOM 0 HA SER A 48 -0.711 -13.916 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.685 -11.209 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.144 -12.508 -4.877 1.00 0.00 H new ATOM 0 HG SER A 48 2.389 -12.519 -6.838 1.00 0.00 H new ATOM 744 N GLU A 49 -1.515 -13.059 -3.589 1.00 0.00 N ATOM 745 CA GLU A 49 -2.318 -12.711 -2.420 1.00 0.00 C ATOM 746 C GLU A 49 -1.477 -12.094 -1.307 1.00 0.00 C ATOM 747 O GLU A 49 -2.012 -11.503 -0.368 1.00 0.00 O ATOM 748 CB GLU A 49 -3.087 -13.929 -1.895 1.00 0.00 C ATOM 749 CG GLU A 49 -2.592 -15.278 -2.407 1.00 0.00 C ATOM 750 CD GLU A 49 -1.172 -15.599 -1.987 1.00 0.00 C ATOM 751 OE1 GLU A 49 -0.969 -16.042 -0.838 1.00 0.00 O ATOM 752 OE2 GLU A 49 -0.252 -15.416 -2.811 1.00 0.00 O ATOM 0 H GLU A 49 -0.960 -13.908 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.036 -11.958 -2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.035 -13.930 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.138 -13.819 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.256 -16.062 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.652 -15.289 -3.495 1.00 0.00 H new ATOM 759 N ASP A 50 -0.167 -12.234 -1.406 1.00 0.00 N ATOM 760 CA ASP A 50 0.732 -11.603 -0.446 1.00 0.00 C ATOM 761 C ASP A 50 1.355 -10.353 -1.048 1.00 0.00 C ATOM 762 O ASP A 50 2.015 -9.578 -0.354 1.00 0.00 O ATOM 763 CB ASP A 50 1.840 -12.561 0.008 1.00 0.00 C ATOM 764 CG ASP A 50 1.341 -13.664 0.917 1.00 0.00 C ATOM 765 OD1 ASP A 50 0.519 -13.382 1.814 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.782 -14.821 0.751 1.00 0.00 O ATOM 0 H ASP A 50 0.299 -12.774 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 50 0.138 -11.332 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.308 -13.007 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.612 -11.993 0.527 1.00 0.00 H new ATOM 771 N GLU A 51 1.120 -10.146 -2.335 1.00 0.00 N ATOM 772 CA GLU A 51 1.716 -9.027 -3.047 1.00 0.00 C ATOM 773 C GLU A 51 0.654 -8.160 -3.687 1.00 0.00 C ATOM 774 O GLU A 51 -0.404 -8.636 -4.096 1.00 0.00 O ATOM 775 CB GLU A 51 2.680 -9.484 -4.146 1.00 0.00 C ATOM 776 CG GLU A 51 4.094 -9.807 -3.678 1.00 0.00 C ATOM 777 CD GLU A 51 4.195 -11.113 -2.925 1.00 0.00 C ATOM 778 OE1 GLU A 51 4.154 -12.182 -3.572 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.336 -11.081 -1.690 1.00 0.00 O ATOM 0 H GLU A 51 0.520 -10.739 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 51 2.270 -8.459 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.263 -10.369 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.735 -8.704 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.755 -9.844 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.450 -8.999 -3.039 1.00 0.00 H new ATOM 786 N ILE A 52 0.964 -6.888 -3.786 1.00 0.00 N ATOM 787 CA ILE A 52 0.122 -5.942 -4.482 1.00 0.00 C ATOM 788 C ILE A 52 0.988 -5.043 -5.340 1.00 0.00 C ATOM 789 O ILE A 52 2.209 -5.095 -5.264 1.00 0.00 O ATOM 790 CB ILE A 52 -0.684 -5.045 -3.524 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.261 -4.321 -2.563 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.718 -5.855 -2.760 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.350 -3.096 -1.931 1.00 0.00 C ATOM 0 H ILE A 52 1.808 -6.479 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.581 -6.522 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.218 -4.300 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.567 -5.012 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.163 -4.031 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.273 -5.198 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.407 -6.322 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.217 -6.627 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.375 -2.632 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.631 -2.387 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.236 -3.382 -1.364 1.00 0.00 H new ATOM 805 N GLU A 53 0.358 -4.225 -6.145 1.00 0.00 N ATOM 806 CA GLU A 53 1.065 -3.235 -6.920 1.00 0.00 C ATOM 807 C GLU A 53 0.471 -1.870 -6.643 1.00 0.00 C ATOM 808 O GLU A 53 -0.719 -1.657 -6.860 1.00 0.00 O ATOM 809 CB GLU A 53 0.929 -3.560 -8.389 1.00 0.00 C ATOM 810 CG GLU A 53 1.651 -2.588 -9.303 1.00 0.00 C ATOM 811 CD GLU A 53 1.041 -2.546 -10.682 1.00 0.00 C ATOM 812 OE1 GLU A 53 1.267 -3.484 -11.467 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.307 -1.579 -10.981 1.00 0.00 O ATOM 0 H GLU A 53 -0.653 -4.225 -6.282 1.00 0.00 H new ATOM 0 HA GLU A 53 2.120 -3.235 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.314 -4.564 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.129 -3.573 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.624 -1.590 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.700 -2.874 -9.380 1.00 0.00 H new ATOM 820 N GLY A 54 1.280 -0.945 -6.179 1.00 0.00 N ATOM 821 CA GLY A 54 0.755 0.346 -5.814 1.00 0.00 C ATOM 822 C GLY A 54 1.506 1.484 -6.452 1.00 0.00 C ATOM 823 O GLY A 54 2.327 1.277 -7.345 1.00 0.00 O ATOM 0 H GLY A 54 2.285 -1.060 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.294 0.401 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.792 0.455 -4.730 1.00 0.00 H new ATOM 827 N ARG A 55 1.222 2.688 -5.998 1.00 0.00 N ATOM 828 CA ARG A 55 1.874 3.868 -6.520 1.00 0.00 C ATOM 829 C ARG A 55 2.027 4.912 -5.424 1.00 0.00 C ATOM 830 O ARG A 55 1.185 5.029 -4.532 1.00 0.00 O ATOM 831 CB ARG A 55 1.086 4.420 -7.706 1.00 0.00 C ATOM 832 CG ARG A 55 -0.339 4.827 -7.378 1.00 0.00 C ATOM 833 CD ARG A 55 -1.178 4.912 -8.636 1.00 0.00 C ATOM 834 NE ARG A 55 -1.342 3.597 -9.260 1.00 0.00 N ATOM 835 CZ ARG A 55 -1.807 3.395 -10.494 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.195 4.417 -11.247 1.00 0.00 N ATOM 837 NH2 ARG A 55 -1.890 2.159 -10.969 1.00 0.00 N ATOM 0 H ARG A 55 0.539 2.874 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 55 2.871 3.602 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.615 5.285 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.064 3.667 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.779 4.105 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.339 5.791 -6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.157 5.326 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.708 5.596 -9.343 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.082 2.777 -8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.139 5.368 -10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.549 4.251 -12.189 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.599 1.370 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.245 1.998 -11.912 1.00 0.00 H new ATOM 918 N LYS A 60 5.497 5.037 -9.096 1.00 0.00 N ATOM 919 CA LYS A 60 4.184 4.533 -9.453 1.00 0.00 C ATOM 920 C LYS A 60 4.309 3.172 -10.120 1.00 0.00 C ATOM 921 O LYS A 60 5.236 2.933 -10.897 1.00 0.00 O ATOM 922 CB LYS A 60 3.456 5.506 -10.384 1.00 0.00 C ATOM 923 CG LYS A 60 4.201 5.778 -11.678 1.00 0.00 C ATOM 924 CD LYS A 60 3.270 6.294 -12.763 1.00 0.00 C ATOM 925 CE LYS A 60 2.254 5.234 -13.166 1.00 0.00 C ATOM 926 NZ LYS A 60 1.344 5.706 -14.241 1.00 0.00 N ATOM 0 HA LYS A 60 3.600 4.432 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.471 5.103 -10.619 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.298 6.449 -9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.990 6.508 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.685 4.863 -12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.750 7.183 -12.407 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.853 6.593 -13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.779 4.340 -13.504 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.665 4.948 -12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.670 4.951 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.822 6.543 -13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.901 5.955 -15.083 1.00 0.00 H new ATOM 940 N GLY A 61 3.390 2.281 -9.790 1.00 0.00 N ATOM 941 CA GLY A 61 3.362 0.979 -10.416 1.00 0.00 C ATOM 942 C GLY A 61 4.461 0.068 -9.921 1.00 0.00 C ATOM 943 O GLY A 61 5.113 -0.617 -10.711 1.00 0.00 O ATOM 0 H GLY A 61 2.659 2.438 -9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.396 0.511 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.453 1.098 -11.496 1.00 0.00 H new ATOM 947 N LEU A 62 4.679 0.055 -8.616 1.00 0.00 N ATOM 948 CA LEU A 62 5.672 -0.826 -8.040 1.00 0.00 C ATOM 949 C LEU A 62 4.980 -1.964 -7.301 1.00 0.00 C ATOM 950 O LEU A 62 4.041 -1.746 -6.529 1.00 0.00 O ATOM 951 CB LEU A 62 6.644 -0.065 -7.119 1.00 0.00 C ATOM 952 CG LEU A 62 6.157 0.224 -5.697 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.316 0.705 -4.839 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.048 1.265 -5.695 1.00 0.00 C ATOM 0 H LEU A 62 4.184 0.641 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 62 6.272 -1.245 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.569 -0.638 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.891 0.884 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 62 5.756 -0.701 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.961 0.908 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.087 -0.065 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.732 1.617 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.723 1.449 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.419 2.193 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.206 0.900 -6.283 1.00 0.00 H new ATOM 966 N VAL A 63 5.420 -3.176 -7.575 1.00 0.00 N ATOM 967 CA VAL A 63 4.828 -4.360 -6.975 1.00 0.00 C ATOM 968 C VAL A 63 5.537 -4.687 -5.671 1.00 0.00 C ATOM 969 O VAL A 63 6.748 -4.914 -5.650 1.00 0.00 O ATOM 970 CB VAL A 63 4.897 -5.580 -7.921 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.181 -6.780 -7.315 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.310 -5.243 -9.283 1.00 0.00 C ATOM 0 H VAL A 63 6.191 -3.370 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 63 3.777 -4.143 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 63 5.947 -5.840 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.244 -7.625 -8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.652 -7.045 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.134 -6.530 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.370 -6.117 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.267 -4.948 -9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.872 -4.422 -9.728 1.00 0.00 H new ATOM 982 N LEU A 64 4.783 -4.698 -4.589 1.00 0.00 N ATOM 983 CA LEU A 64 5.351 -4.939 -3.273 1.00 0.00 C ATOM 984 C LEU A 64 4.527 -5.930 -2.477 1.00 0.00 C ATOM 985 O LEU A 64 3.298 -5.930 -2.542 1.00 0.00 O ATOM 986 CB LEU A 64 5.468 -3.635 -2.481 1.00 0.00 C ATOM 987 CG LEU A 64 6.681 -2.778 -2.826 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.564 -1.406 -2.183 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.953 -3.480 -2.370 1.00 0.00 C ATOM 0 H LEU A 64 3.775 -4.543 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 64 6.344 -5.360 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.566 -3.045 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.502 -3.875 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 64 6.723 -2.641 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.438 -0.808 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.665 -0.909 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.505 -1.516 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.817 -2.864 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.916 -3.636 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.037 -4.443 -2.873 1.00 0.00 H new ATOM 1001 N ARG A 65 5.219 -6.791 -1.749 1.00 0.00 N ATOM 1002 CA ARG A 65 4.579 -7.628 -0.755 1.00 0.00 C ATOM 1003 C ARG A 65 3.884 -6.757 0.277 1.00 0.00 C ATOM 1004 O ARG A 65 4.477 -5.833 0.834 1.00 0.00 O ATOM 1005 CB ARG A 65 5.597 -8.544 -0.072 1.00 0.00 C ATOM 1006 CG ARG A 65 6.937 -7.881 0.199 1.00 0.00 C ATOM 1007 CD ARG A 65 7.798 -8.703 1.149 1.00 0.00 C ATOM 1008 NE ARG A 65 7.828 -10.121 0.785 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.695 -11.004 1.281 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.679 -10.607 2.077 1.00 0.00 N ATOM 1011 NH2 ARG A 65 8.577 -12.287 0.966 1.00 0.00 N ATOM 0 H ARG A 65 6.227 -6.927 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 65 3.841 -8.256 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.179 -8.896 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.757 -9.423 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.469 -7.740 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.772 -6.891 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.814 -8.308 1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.416 -8.599 2.165 1.00 0.00 H new ATOM 0 HE ARG A 65 7.141 -10.455 0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.777 -9.620 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.338 -11.289 2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.826 -12.593 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.237 -12.967 1.342 1.00 0.00 H new ATOM 1025 N THR A 66 2.637 -7.064 0.547 1.00 0.00 N ATOM 1026 CA THR A 66 1.836 -6.262 1.448 1.00 0.00 C ATOM 1027 C THR A 66 2.026 -6.738 2.890 1.00 0.00 C ATOM 1028 O THR A 66 1.187 -6.503 3.760 1.00 0.00 O ATOM 1029 CB THR A 66 0.345 -6.318 1.038 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.433 -5.445 1.863 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.198 -7.736 1.124 1.00 0.00 C ATOM 0 H THR A 66 2.150 -7.869 0.153 1.00 0.00 H new ATOM 0 HA THR A 66 2.165 -5.225 1.385 1.00 0.00 H new ATOM 0 HB THR A 66 0.272 -5.988 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.035 -5.399 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.248 -7.742 0.830 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.370 -8.384 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.106 -8.099 2.148 1.00 0.00 H new ATOM 1039 N GLU A 67 3.178 -7.348 3.151 1.00 0.00 N ATOM 1040 CA GLU A 67 3.437 -7.971 4.439 1.00 0.00 C ATOM 1041 C GLU A 67 4.053 -6.958 5.384 1.00 0.00 C ATOM 1042 O GLU A 67 4.196 -7.194 6.582 1.00 0.00 O ATOM 1043 CB GLU A 67 4.356 -9.170 4.244 1.00 0.00 C ATOM 1044 CG GLU A 67 3.919 -10.028 3.074 1.00 0.00 C ATOM 1045 CD GLU A 67 4.562 -11.399 3.059 1.00 0.00 C ATOM 1046 OE1 GLU A 67 4.009 -12.333 3.683 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.616 -11.555 2.419 1.00 0.00 O ATOM 0 H GLU A 67 3.947 -7.423 2.485 1.00 0.00 H new ATOM 0 HA GLU A 67 2.502 -8.319 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.376 -8.823 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.366 -9.772 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.836 -10.144 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.160 -9.512 2.145 1.00 0.00 H new ATOM 1054 N PHE A 68 4.415 -5.825 4.814 1.00 0.00 N ATOM 1055 CA PHE A 68 4.937 -4.709 5.586 1.00 0.00 C ATOM 1056 C PHE A 68 4.123 -3.452 5.306 1.00 0.00 C ATOM 1057 O PHE A 68 4.535 -2.337 5.634 1.00 0.00 O ATOM 1058 CB PHE A 68 6.425 -4.488 5.280 1.00 0.00 C ATOM 1059 CG PHE A 68 6.740 -4.180 3.840 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.630 -2.891 3.344 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.162 -5.184 2.985 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.932 -2.609 2.026 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.468 -4.908 1.666 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.350 -3.620 1.186 1.00 0.00 C ATOM 0 H PHE A 68 4.357 -5.650 3.811 1.00 0.00 H new ATOM 0 HA PHE A 68 4.849 -4.943 6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.790 -3.669 5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.977 -5.380 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.303 -2.095 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.253 -6.195 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.841 -1.599 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.799 -5.700 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.585 -3.404 0.154 1.00 0.00 H new ATOM 1074 N LEU A 69 2.953 -3.644 4.714 1.00 0.00 N ATOM 1075 CA LEU A 69 2.081 -2.533 4.386 1.00 0.00 C ATOM 1076 C LEU A 69 0.833 -2.588 5.247 1.00 0.00 C ATOM 1077 O LEU A 69 0.394 -3.663 5.651 1.00 0.00 O ATOM 1078 CB LEU A 69 1.703 -2.557 2.902 1.00 0.00 C ATOM 1079 CG LEU A 69 2.879 -2.511 1.921 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.395 -2.741 0.498 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.608 -1.179 2.019 1.00 0.00 C ATOM 0 H LEU A 69 2.588 -4.560 4.452 1.00 0.00 H new ATOM 0 HA LEU A 69 2.613 -1.603 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.125 -3.460 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.049 -1.709 2.698 1.00 0.00 H new ATOM 0 HG LEU A 69 3.575 -3.307 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.244 -2.705 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.916 -3.718 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.678 -1.966 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.440 -1.167 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.919 -0.369 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.989 -1.046 3.032 1.00 0.00 H new ATOM 1093 N LYS A 70 0.291 -1.425 5.541 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.895 -1.311 6.366 1.00 0.00 C ATOM 1095 C LYS A 70 -2.006 -0.633 5.581 1.00 0.00 C ATOM 1096 O LYS A 70 -1.791 0.425 4.991 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.577 -0.498 7.622 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.151 -1.100 8.894 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.671 -1.107 8.892 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.249 0.227 9.332 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.732 0.242 9.235 1.00 0.00 N ATOM 0 H LYS A 70 0.660 -0.531 5.215 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.223 -2.308 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.505 -0.412 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.967 0.513 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.785 -2.120 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.793 -0.535 9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.031 -1.345 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.030 -1.894 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.949 0.432 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.836 1.024 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.129 0.725 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.018 0.747 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.087 -0.735 9.199 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.184 -1.237 5.581 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.326 -0.682 4.866 1.00 0.00 C ATOM 1117 C LYS A 71 -4.668 0.691 5.434 1.00 0.00 C ATOM 1118 O LYS A 71 -4.952 0.829 6.624 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.523 -1.637 4.951 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.685 -1.261 4.040 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.665 -0.323 4.723 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.725 0.176 3.757 1.00 0.00 C ATOM 1123 NZ LYS A 71 -8.146 1.048 2.702 1.00 0.00 N ATOM 0 H LYS A 71 -3.376 -2.112 6.068 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.072 -0.564 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.189 -2.644 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.878 -1.667 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.299 -0.787 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.207 -2.165 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.144 -0.839 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.125 0.526 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.222 -0.675 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.487 0.728 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.913 1.529 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.525 1.757 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.595 0.469 2.037 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.625 1.701 4.578 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.746 3.085 5.012 1.00 0.00 C ATOM 1139 C ALA A 72 -6.188 3.573 4.946 1.00 0.00 C ATOM 1140 O ALA A 72 -7.098 2.810 4.625 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.846 3.976 4.170 1.00 0.00 C ATOM 0 H ALA A 72 -4.506 1.586 3.571 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.430 3.137 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.944 5.010 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.810 3.655 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.138 3.903 3.123 1.00 0.00 H new