USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 467 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 92 SER OG : rot -170:sc= 0.318 USER MOD Set 1.2: A 96 LYS NZ :NH3+ -162:sc= -1.12! (180deg=-0.54) USER MOD Set 2.1: A 67 CYS SG : rot -144:sc= 0.214 USER MOD Set 2.2: A 76 CYS SG : rot -162:sc= 0.202 USER MOD Set 2.3: A 112 CYS SG : rot -75:sc= -0.837 USER MOD Set 2.4: A 115 HIS : no HE2:sc= -0.0562 K(o=-0.48,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 68 CYS SG : rot 160:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.32 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.03) USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= -0.38 (180deg=-1.41!) USER MOD Single : A 94 SER OG : rot 72:sc= 1.12 USER MOD Single : A 95 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.85) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 147:sc= -0.234 (180deg=-0.782) USER MOD Single : A 104 LYS NZ :NH3+ 151:sc= -0.162 (180deg=-0.769) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-1.7) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= -0.239 (180deg=-0.746) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 120 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 121 SER OG : rot -58:sc= 0.553 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.481 -4.534 8.339 1.00 0.00 N ATOM 46 CA GLN A 65 -11.357 -4.872 6.926 1.00 0.00 C ATOM 47 C GLN A 65 -10.012 -5.507 6.600 1.00 0.00 C ATOM 48 O GLN A 65 -9.093 -5.512 7.420 1.00 0.00 O ATOM 49 CB GLN A 65 -11.543 -3.616 6.077 1.00 0.00 C ATOM 50 CG GLN A 65 -12.811 -2.842 6.397 1.00 0.00 C ATOM 51 CD GLN A 65 -14.069 -3.606 6.035 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.052 -4.478 5.168 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.173 -3.270 6.691 1.00 0.00 N ATOM 0 HA GLN A 65 -12.133 -5.603 6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.683 -2.962 6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.557 -3.899 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.828 -2.605 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.799 -1.894 5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.141 -2.540 7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.053 -3.742 6.483 1.00 0.00 H new ATOM 62 N LEU A 66 -9.909 -6.038 5.385 1.00 0.00 N ATOM 63 CA LEU A 66 -8.683 -6.672 4.921 1.00 0.00 C ATOM 64 C LEU A 66 -8.033 -5.835 3.822 1.00 0.00 C ATOM 65 O LEU A 66 -8.720 -5.180 3.039 1.00 0.00 O ATOM 66 CB LEU A 66 -8.977 -8.080 4.395 1.00 0.00 C ATOM 67 CG LEU A 66 -9.753 -8.986 5.354 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.878 -10.388 4.778 1.00 0.00 C ATOM 69 CD2 LEU A 66 -9.079 -9.023 6.716 1.00 0.00 C ATOM 0 H LEU A 66 -10.666 -6.041 4.702 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.995 -6.745 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.541 -7.993 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.031 -8.563 4.149 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.755 -8.577 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.432 -11.019 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.407 -10.344 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.884 -10.807 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.645 -9.672 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.065 -9.407 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.044 -8.016 7.132 1.00 0.00 H new ATOM 81 N CYS A 67 -6.703 -5.861 3.773 1.00 0.00 N ATOM 82 CA CYS A 67 -5.946 -5.109 2.771 1.00 0.00 C ATOM 83 C CYS A 67 -6.551 -5.290 1.376 1.00 0.00 C ATOM 84 O CYS A 67 -7.301 -6.237 1.139 1.00 0.00 O ATOM 85 CB CYS A 67 -4.487 -5.568 2.778 1.00 0.00 C ATOM 86 SG CYS A 67 -3.434 -4.722 1.578 1.00 0.00 S ATOM 0 H CYS A 67 -6.123 -6.397 4.419 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.993 -4.050 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.075 -5.416 3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.455 -6.639 2.580 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.559 -5.558 1.103 1.00 0.00 H new ATOM 91 N CYS A 68 -6.226 -4.379 0.455 1.00 0.00 N ATOM 92 CA CYS A 68 -6.758 -4.459 -0.904 1.00 0.00 C ATOM 93 C CYS A 68 -5.660 -4.394 -1.971 1.00 0.00 C ATOM 94 O CYS A 68 -5.864 -3.819 -3.040 1.00 0.00 O ATOM 95 CB CYS A 68 -7.779 -3.344 -1.144 1.00 0.00 C ATOM 96 SG CYS A 68 -7.104 -1.674 -0.997 1.00 0.00 S ATOM 0 H CYS A 68 -5.605 -3.588 0.624 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.244 -5.430 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.204 -3.465 -2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.597 -3.457 -0.432 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.883 -0.835 -1.612 1.00 0.00 H new ATOM 102 N LEU A 69 -4.495 -4.961 -1.674 1.00 0.00 N ATOM 103 CA LEU A 69 -3.398 -5.001 -2.637 1.00 0.00 C ATOM 104 C LEU A 69 -3.050 -6.442 -2.987 1.00 0.00 C ATOM 105 O LEU A 69 -3.403 -7.370 -2.257 1.00 0.00 O ATOM 106 CB LEU A 69 -2.168 -4.286 -2.089 1.00 0.00 C ATOM 107 CG LEU A 69 -2.359 -2.792 -1.858 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.140 -2.196 -1.170 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.630 -2.081 -3.177 1.00 0.00 C ATOM 0 H LEU A 69 -4.286 -5.398 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.723 -4.486 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.881 -4.753 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.339 -4.431 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.221 -2.652 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.296 -1.129 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.990 -2.685 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.260 -2.347 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.764 -1.015 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.787 -2.231 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.534 -2.488 -3.631 1.00 0.00 H new ATOM 121 N ARG A 70 -2.358 -6.627 -4.105 1.00 0.00 N ATOM 122 CA ARG A 70 -1.971 -7.960 -4.548 1.00 0.00 C ATOM 123 C ARG A 70 -0.458 -8.079 -4.673 1.00 0.00 C ATOM 124 O ARG A 70 0.143 -7.532 -5.598 1.00 0.00 O ATOM 125 CB ARG A 70 -2.631 -8.283 -5.891 1.00 0.00 C ATOM 126 CG ARG A 70 -4.139 -8.106 -5.880 1.00 0.00 C ATOM 127 CD ARG A 70 -4.759 -8.449 -7.226 1.00 0.00 C ATOM 128 NE ARG A 70 -4.635 -9.873 -7.540 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.518 -10.558 -8.266 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.585 -9.957 -8.781 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.328 -11.852 -8.487 1.00 0.00 N ATOM 0 H ARG A 70 -2.054 -5.872 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.310 -8.675 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.203 -7.642 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.395 -9.311 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.574 -8.741 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.382 -7.076 -5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.812 -8.169 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.276 -7.862 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.822 -10.373 -7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.735 -8.961 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.254 -10.492 -9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.508 -12.320 -8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.002 -12.379 -9.042 1.00 0.00 H new ATOM 145 N GLU A 71 0.156 -8.791 -3.734 1.00 0.00 N ATOM 146 CA GLU A 71 1.598 -8.989 -3.756 1.00 0.00 C ATOM 147 C GLU A 71 1.948 -10.171 -4.654 1.00 0.00 C ATOM 148 O GLU A 71 1.655 -11.320 -4.322 1.00 0.00 O ATOM 149 CB GLU A 71 2.133 -9.225 -2.344 1.00 0.00 C ATOM 150 CG GLU A 71 3.651 -9.208 -2.263 1.00 0.00 C ATOM 151 CD GLU A 71 4.174 -9.781 -0.961 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.648 -9.405 0.108 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.112 -10.604 -1.011 1.00 0.00 O ATOM 0 H GLU A 71 -0.322 -9.238 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 71 2.065 -8.088 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.732 -8.460 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.768 -10.186 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.062 -9.778 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.005 -8.183 -2.372 1.00 0.00 H new ATOM 160 N ASP A 72 2.569 -9.879 -5.794 1.00 0.00 N ATOM 161 CA ASP A 72 2.945 -10.913 -6.753 1.00 0.00 C ATOM 162 C ASP A 72 1.706 -11.586 -7.330 1.00 0.00 C ATOM 163 O ASP A 72 1.644 -12.810 -7.445 1.00 0.00 O ATOM 164 CB ASP A 72 3.854 -11.955 -6.099 1.00 0.00 C ATOM 165 CG ASP A 72 5.311 -11.534 -6.114 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.575 -10.314 -6.077 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.186 -12.423 -6.164 1.00 0.00 O ATOM 0 H ASP A 72 2.823 -8.932 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 72 3.493 -10.436 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.535 -12.118 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.747 -12.906 -6.620 1.00 0.00 H new ATOM 172 N GLY A 73 0.715 -10.772 -7.685 1.00 0.00 N ATOM 173 CA GLY A 73 -0.516 -11.296 -8.247 1.00 0.00 C ATOM 174 C GLY A 73 -1.331 -12.099 -7.247 1.00 0.00 C ATOM 175 O GLY A 73 -2.355 -12.681 -7.606 1.00 0.00 O ATOM 0 H GLY A 73 0.744 -9.757 -7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.120 -10.468 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.278 -11.927 -9.103 1.00 0.00 H new ATOM 179 N GLU A 74 -0.891 -12.126 -5.989 1.00 0.00 N ATOM 180 CA GLU A 74 -1.591 -12.874 -4.955 1.00 0.00 C ATOM 181 C GLU A 74 -2.108 -11.942 -3.865 1.00 0.00 C ATOM 182 O GLU A 74 -1.348 -11.175 -3.273 1.00 0.00 O ATOM 183 CB GLU A 74 -0.675 -13.938 -4.349 1.00 0.00 C ATOM 184 CG GLU A 74 -0.918 -15.328 -4.913 1.00 0.00 C ATOM 185 CD GLU A 74 -2.379 -15.730 -4.840 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.860 -16.017 -3.725 1.00 0.00 O ATOM 187 OE2 GLU A 74 -3.042 -15.751 -5.899 1.00 0.00 O ATOM 0 H GLU A 74 -0.055 -11.639 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.445 -13.369 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.363 -13.658 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.820 -13.961 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.586 -15.360 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.316 -16.051 -4.363 1.00 0.00 H new ATOM 194 N ARG A 75 -3.409 -12.026 -3.607 1.00 0.00 N ATOM 195 CA ARG A 75 -4.063 -11.189 -2.602 1.00 0.00 C ATOM 196 C ARG A 75 -3.234 -11.077 -1.326 1.00 0.00 C ATOM 197 O ARG A 75 -2.401 -11.934 -1.032 1.00 0.00 O ATOM 198 CB ARG A 75 -5.437 -11.767 -2.262 1.00 0.00 C ATOM 199 CG ARG A 75 -6.485 -10.711 -1.964 1.00 0.00 C ATOM 200 CD ARG A 75 -6.916 -9.994 -3.232 1.00 0.00 C ATOM 201 NE ARG A 75 -7.066 -10.918 -4.352 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.124 -11.704 -4.528 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.130 -11.671 -3.666 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.176 -12.523 -5.571 1.00 0.00 N ATOM 0 H ARG A 75 -4.038 -12.671 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.168 -10.190 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.779 -12.381 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.341 -12.425 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.351 -11.177 -1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.086 -9.989 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.861 -9.480 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.180 -9.231 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.315 -10.963 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.094 -11.041 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.940 -12.275 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.404 -12.550 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.988 -13.126 -5.706 1.00 0.00 H new ATOM 218 N CYS A 76 -3.478 -10.011 -0.570 1.00 0.00 N ATOM 219 CA CYS A 76 -2.773 -9.782 0.683 1.00 0.00 C ATOM 220 C CYS A 76 -3.471 -10.519 1.824 1.00 0.00 C ATOM 221 O CYS A 76 -2.963 -11.520 2.330 1.00 0.00 O ATOM 222 CB CYS A 76 -2.697 -8.282 0.985 1.00 0.00 C ATOM 223 SG CYS A 76 -1.606 -7.860 2.364 1.00 0.00 S ATOM 0 H CYS A 76 -4.161 -9.291 -0.806 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.758 -10.168 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.354 -7.760 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.700 -7.915 1.204 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.884 -6.663 2.787 1.00 0.00 H new ATOM 228 N GLY A 77 -4.642 -10.028 2.219 1.00 0.00 N ATOM 229 CA GLY A 77 -5.390 -10.663 3.289 1.00 0.00 C ATOM 230 C GLY A 77 -5.214 -9.969 4.625 1.00 0.00 C ATOM 231 O GLY A 77 -6.174 -9.804 5.378 1.00 0.00 O ATOM 0 H GLY A 77 -5.086 -9.202 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.448 -10.675 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.073 -11.702 3.380 1.00 0.00 H new ATOM 235 N ARG A 78 -3.982 -9.563 4.923 1.00 0.00 N ATOM 236 CA ARG A 78 -3.683 -8.881 6.179 1.00 0.00 C ATOM 237 C ARG A 78 -4.694 -7.771 6.452 1.00 0.00 C ATOM 238 O ARG A 78 -5.102 -7.051 5.541 1.00 0.00 O ATOM 239 CB ARG A 78 -2.269 -8.300 6.138 1.00 0.00 C ATOM 240 CG ARG A 78 -1.869 -7.577 7.413 1.00 0.00 C ATOM 241 CD ARG A 78 -0.526 -6.883 7.254 1.00 0.00 C ATOM 242 NE ARG A 78 -0.081 -6.260 8.498 1.00 0.00 N ATOM 243 CZ ARG A 78 0.635 -6.889 9.427 1.00 0.00 C ATOM 244 NH1 ARG A 78 0.966 -8.165 9.273 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.015 -6.241 10.520 1.00 0.00 N ATOM 0 H ARG A 78 -3.176 -9.694 4.312 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.748 -9.611 6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.560 -9.106 5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.194 -7.608 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.632 -6.843 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.818 -8.289 8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.219 -7.607 6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.600 -6.124 6.475 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.334 -5.286 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.671 -8.671 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.515 -8.640 9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.758 -5.262 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.564 -6.722 11.233 1.00 0.00 H new ATOM 259 N ALA A 79 -5.096 -7.638 7.711 1.00 0.00 N ATOM 260 CA ALA A 79 -6.066 -6.624 8.103 1.00 0.00 C ATOM 261 C ALA A 79 -5.655 -5.238 7.618 1.00 0.00 C ATOM 262 O ALA A 79 -4.493 -5.001 7.290 1.00 0.00 O ATOM 263 CB ALA A 79 -6.240 -6.618 9.614 1.00 0.00 C ATOM 0 H ALA A 79 -4.764 -8.222 8.479 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.017 -6.875 7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.967 -5.856 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.593 -7.595 9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.284 -6.399 10.089 1.00 0.00 H new ATOM 269 N ALA A 80 -6.625 -4.329 7.566 1.00 0.00 N ATOM 270 CA ALA A 80 -6.371 -2.959 7.142 1.00 0.00 C ATOM 271 C ALA A 80 -6.157 -2.066 8.359 1.00 0.00 C ATOM 272 O ALA A 80 -6.709 -2.325 9.429 1.00 0.00 O ATOM 273 CB ALA A 80 -7.524 -2.440 6.295 1.00 0.00 C ATOM 0 H ALA A 80 -7.596 -4.519 7.813 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.467 -2.943 6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.317 -1.415 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.638 -3.068 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.444 -2.465 6.879 1.00 0.00 H new ATOM 279 N GLY A 81 -5.360 -1.018 8.195 1.00 0.00 N ATOM 280 CA GLY A 81 -5.082 -0.128 9.306 1.00 0.00 C ATOM 281 C GLY A 81 -5.795 1.207 9.209 1.00 0.00 C ATOM 282 O GLY A 81 -6.998 1.299 9.453 1.00 0.00 O ATOM 0 H GLY A 81 -4.903 -0.769 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.373 -0.619 10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.007 0.047 9.360 1.00 0.00 H new ATOM 286 N ASN A 82 -5.041 2.246 8.861 1.00 0.00 N ATOM 287 CA ASN A 82 -5.597 3.593 8.757 1.00 0.00 C ATOM 288 C ASN A 82 -5.187 4.305 7.462 1.00 0.00 C ATOM 289 O ASN A 82 -5.711 5.373 7.150 1.00 0.00 O ATOM 290 CB ASN A 82 -5.126 4.419 9.955 1.00 0.00 C ATOM 291 CG ASN A 82 -6.229 5.265 10.553 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.482 6.382 10.105 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.886 4.738 11.580 1.00 0.00 N ATOM 0 H ASN A 82 -4.046 2.182 8.647 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.683 3.500 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.732 3.750 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.306 5.066 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.635 5.264 12.030 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.642 3.807 11.918 1.00 0.00 H new ATOM 300 N ALA A 83 -4.258 3.720 6.711 1.00 0.00 N ATOM 301 CA ALA A 83 -3.784 4.335 5.476 1.00 0.00 C ATOM 302 C ALA A 83 -4.778 4.164 4.335 1.00 0.00 C ATOM 303 O ALA A 83 -5.642 3.288 4.370 1.00 0.00 O ATOM 304 CB ALA A 83 -2.435 3.752 5.085 1.00 0.00 C ATOM 0 H ALA A 83 -3.821 2.826 6.935 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.678 5.404 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.091 4.218 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.713 3.942 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.533 2.677 4.934 1.00 0.00 H new ATOM 310 N SER A 84 -4.645 5.014 3.322 1.00 0.00 N ATOM 311 CA SER A 84 -5.518 4.965 2.158 1.00 0.00 C ATOM 312 C SER A 84 -4.701 5.043 0.876 1.00 0.00 C ATOM 313 O SER A 84 -3.767 5.838 0.770 1.00 0.00 O ATOM 314 CB SER A 84 -6.526 6.114 2.191 1.00 0.00 C ATOM 315 OG SER A 84 -5.986 7.280 1.591 1.00 0.00 O ATOM 0 H SER A 84 -3.937 5.748 3.285 1.00 0.00 H new ATOM 0 HA SER A 84 -6.058 4.018 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.436 5.820 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.806 6.328 3.223 1.00 0.00 H new ATOM 0 HG SER A 84 -6.649 8.001 1.622 1.00 0.00 H new ATOM 321 N PHE A 85 -5.053 4.210 -0.092 1.00 0.00 N ATOM 322 CA PHE A 85 -4.359 4.198 -1.371 1.00 0.00 C ATOM 323 C PHE A 85 -4.690 5.459 -2.156 1.00 0.00 C ATOM 324 O PHE A 85 -5.853 5.846 -2.267 1.00 0.00 O ATOM 325 CB PHE A 85 -4.755 2.955 -2.166 1.00 0.00 C ATOM 326 CG PHE A 85 -4.062 2.817 -3.494 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.789 2.272 -3.579 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.702 3.200 -4.661 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.169 2.116 -4.805 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.090 3.039 -5.887 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.825 2.498 -5.961 1.00 0.00 C ATOM 0 H PHE A 85 -5.814 3.535 -0.017 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.284 4.172 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.541 2.071 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.832 2.974 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.277 1.966 -2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.692 3.630 -4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.175 1.697 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.603 3.337 -6.789 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.346 2.372 -6.921 1.00 0.00 H new ATOM 341 N SER A 86 -3.661 6.100 -2.686 1.00 0.00 N ATOM 342 CA SER A 86 -3.835 7.321 -3.454 1.00 0.00 C ATOM 343 C SER A 86 -2.948 7.289 -4.691 1.00 0.00 C ATOM 344 O SER A 86 -2.607 6.219 -5.188 1.00 0.00 O ATOM 345 CB SER A 86 -3.490 8.533 -2.584 1.00 0.00 C ATOM 346 OG SER A 86 -4.281 9.658 -2.927 1.00 0.00 O ATOM 0 H SER A 86 -2.692 5.793 -2.597 1.00 0.00 H new ATOM 0 HA SER A 86 -4.874 7.399 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.644 8.285 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.435 8.779 -2.702 1.00 0.00 H new ATOM 0 HG SER A 86 -4.039 10.415 -2.354 1.00 0.00 H new ATOM 352 N LYS A 87 -2.651 8.457 -5.236 1.00 0.00 N ATOM 353 CA LYS A 87 -1.773 8.555 -6.401 1.00 0.00 C ATOM 354 C LYS A 87 -0.283 8.494 -6.021 1.00 0.00 C ATOM 355 O LYS A 87 0.522 7.898 -6.738 1.00 0.00 O ATOM 356 CB LYS A 87 -2.083 9.807 -7.231 1.00 0.00 C ATOM 357 CG LYS A 87 -2.347 11.075 -6.430 1.00 0.00 C ATOM 358 CD LYS A 87 -3.689 11.698 -6.805 1.00 0.00 C ATOM 359 CE LYS A 87 -4.793 11.321 -5.828 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.654 10.221 -6.345 1.00 0.00 N ATOM 0 H LYS A 87 -3.002 9.352 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.977 7.681 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.246 9.991 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.954 9.603 -7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.336 10.844 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.547 11.794 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.588 12.783 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.969 11.376 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.348 11.017 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.409 12.197 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.391 9.999 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.100 10.519 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.072 9.376 -6.515 1.00 0.00 H new ATOM 374 N ARG A 88 0.080 9.117 -4.897 1.00 0.00 N ATOM 375 CA ARG A 88 1.475 9.139 -4.440 1.00 0.00 C ATOM 376 C ARG A 88 2.056 7.733 -4.373 1.00 0.00 C ATOM 377 O ARG A 88 3.143 7.470 -4.888 1.00 0.00 O ATOM 378 CB ARG A 88 1.577 9.804 -3.061 1.00 0.00 C ATOM 379 CG ARG A 88 2.969 9.742 -2.437 1.00 0.00 C ATOM 380 CD ARG A 88 3.190 8.451 -1.653 1.00 0.00 C ATOM 381 NE ARG A 88 2.060 8.136 -0.778 1.00 0.00 N ATOM 382 CZ ARG A 88 2.071 8.231 0.555 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.137 8.684 1.208 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.994 7.876 1.242 1.00 0.00 N ATOM 0 H ARG A 88 -0.570 9.612 -4.287 1.00 0.00 H new ATOM 0 HA ARG A 88 2.050 9.717 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.278 10.848 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.867 9.326 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.721 9.822 -3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.107 10.596 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.349 7.628 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.097 8.542 -1.055 1.00 0.00 H new ATOM 0 HE ARG A 88 1.197 7.819 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.969 8.968 0.691 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.122 8.748 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.167 7.534 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.993 7.945 2.260 1.00 0.00 H new ATOM 398 N ILE A 89 1.331 6.838 -3.719 1.00 0.00 N ATOM 399 CA ILE A 89 1.773 5.462 -3.573 1.00 0.00 C ATOM 400 C ILE A 89 2.016 4.816 -4.932 1.00 0.00 C ATOM 401 O ILE A 89 2.979 4.072 -5.109 1.00 0.00 O ATOM 402 CB ILE A 89 0.750 4.642 -2.767 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.562 5.281 -1.391 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.201 3.196 -2.636 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.307 4.476 -0.455 1.00 0.00 C ATOM 0 H ILE A 89 0.433 7.042 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 89 2.716 5.473 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.204 4.642 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.540 5.423 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.123 6.270 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.463 2.635 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.302 2.755 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.162 3.160 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.392 4.995 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.298 4.356 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.141 3.495 -0.296 1.00 0.00 H new ATOM 417 N GLN A 90 1.145 5.109 -5.893 1.00 0.00 N ATOM 418 CA GLN A 90 1.297 4.567 -7.236 1.00 0.00 C ATOM 419 C GLN A 90 2.634 5.014 -7.815 1.00 0.00 C ATOM 420 O GLN A 90 3.369 4.222 -8.403 1.00 0.00 O ATOM 421 CB GLN A 90 0.146 5.027 -8.133 1.00 0.00 C ATOM 422 CG GLN A 90 0.027 4.223 -9.416 1.00 0.00 C ATOM 423 CD GLN A 90 -1.414 3.994 -9.829 1.00 0.00 C ATOM 424 OE1 GLN A 90 -1.754 2.944 -10.373 1.00 0.00 O ATOM 425 NE2 GLN A 90 -2.269 4.980 -9.579 1.00 0.00 N ATOM 0 H GLN A 90 0.333 5.714 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 90 1.274 3.478 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.789 4.954 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.287 6.079 -8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.552 4.744 -10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.521 3.260 -9.284 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.944 5.834 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.250 4.883 -9.840 1.00 0.00 H new ATOM 434 N LYS A 91 2.935 6.296 -7.635 1.00 0.00 N ATOM 435 CA LYS A 91 4.191 6.869 -8.098 1.00 0.00 C ATOM 436 C LYS A 91 5.355 6.098 -7.490 1.00 0.00 C ATOM 437 O LYS A 91 6.262 5.653 -8.194 1.00 0.00 O ATOM 438 CB LYS A 91 4.249 8.353 -7.698 1.00 0.00 C ATOM 439 CG LYS A 91 5.644 8.976 -7.669 1.00 0.00 C ATOM 440 CD LYS A 91 6.029 9.555 -9.017 1.00 0.00 C ATOM 441 CE LYS A 91 6.781 10.865 -8.854 1.00 0.00 C ATOM 442 NZ LYS A 91 6.028 11.834 -8.008 1.00 0.00 N ATOM 0 H LYS A 91 2.319 6.962 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 91 4.258 6.797 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.631 8.922 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.802 8.462 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.676 9.761 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.373 8.221 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.649 8.841 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.133 9.718 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.755 10.671 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.963 11.304 -9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.216 12.802 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.009 11.636 -8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.333 11.741 -7.018 1.00 0.00 H new ATOM 456 N SER A 92 5.318 5.953 -6.169 1.00 0.00 N ATOM 457 CA SER A 92 6.358 5.235 -5.449 1.00 0.00 C ATOM 458 C SER A 92 6.561 3.852 -6.058 1.00 0.00 C ATOM 459 O SER A 92 7.685 3.458 -6.367 1.00 0.00 O ATOM 460 CB SER A 92 5.987 5.115 -3.969 1.00 0.00 C ATOM 461 OG SER A 92 7.121 5.304 -3.141 1.00 0.00 O ATOM 0 H SER A 92 4.576 6.325 -5.576 1.00 0.00 H new ATOM 0 HA SER A 92 7.291 5.792 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.225 5.854 -3.721 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.553 4.133 -3.778 1.00 0.00 H new ATOM 0 HG SER A 92 6.894 5.068 -2.217 1.00 0.00 H new ATOM 467 N ILE A 93 5.462 3.124 -6.232 1.00 0.00 N ATOM 468 CA ILE A 93 5.517 1.792 -6.821 1.00 0.00 C ATOM 469 C ILE A 93 6.159 1.846 -8.203 1.00 0.00 C ATOM 470 O ILE A 93 7.035 1.048 -8.523 1.00 0.00 O ATOM 471 CB ILE A 93 4.108 1.168 -6.943 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.463 1.027 -5.564 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.175 -0.187 -7.637 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.006 0.622 -5.620 1.00 0.00 C ATOM 0 H ILE A 93 4.525 3.434 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 93 6.119 1.170 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 93 3.493 1.834 -7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.016 0.286 -4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.549 1.975 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.172 -0.607 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.592 -0.064 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.809 -0.860 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.612 0.540 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.440 1.374 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.915 -0.341 -6.123 1.00 0.00 H new ATOM 486 N SER A 94 5.713 2.799 -9.015 1.00 0.00 N ATOM 487 CA SER A 94 6.234 2.963 -10.367 1.00 0.00 C ATOM 488 C SER A 94 7.745 3.173 -10.356 1.00 0.00 C ATOM 489 O SER A 94 8.463 2.629 -11.195 1.00 0.00 O ATOM 490 CB SER A 94 5.544 4.140 -11.057 1.00 0.00 C ATOM 491 OG SER A 94 4.137 3.969 -11.065 1.00 0.00 O ATOM 0 H SER A 94 4.990 3.471 -8.759 1.00 0.00 H new ATOM 0 HA SER A 94 6.025 2.049 -10.923 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.798 5.067 -10.544 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.909 4.231 -12.080 1.00 0.00 H new ATOM 0 HG SER A 94 3.787 4.092 -10.158 1.00 0.00 H new ATOM 497 N GLN A 95 8.225 3.970 -9.406 1.00 0.00 N ATOM 498 CA GLN A 95 9.652 4.241 -9.286 1.00 0.00 C ATOM 499 C GLN A 95 10.379 3.025 -8.721 1.00 0.00 C ATOM 500 O GLN A 95 11.558 2.805 -8.998 1.00 0.00 O ATOM 501 CB GLN A 95 9.890 5.463 -8.397 1.00 0.00 C ATOM 502 CG GLN A 95 10.475 6.660 -9.134 1.00 0.00 C ATOM 503 CD GLN A 95 9.833 6.892 -10.489 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.369 6.487 -11.521 1.00 0.00 O ATOM 505 NE2 GLN A 95 8.672 7.534 -10.490 1.00 0.00 N ATOM 0 H GLN A 95 7.646 4.439 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 95 10.048 4.452 -10.279 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.945 5.757 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.563 5.184 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.351 7.553 -8.521 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.547 6.510 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.264 7.852 -9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.187 7.710 -11.370 1.00 0.00 H new ATOM 514 N LYS A 96 9.660 2.237 -7.925 1.00 0.00 N ATOM 515 CA LYS A 96 10.220 1.031 -7.325 1.00 0.00 C ATOM 516 C LYS A 96 10.256 -0.105 -8.334 1.00 0.00 C ATOM 517 O LYS A 96 11.261 -0.802 -8.464 1.00 0.00 O ATOM 518 CB LYS A 96 9.375 0.583 -6.132 1.00 0.00 C ATOM 519 CG LYS A 96 9.433 1.507 -4.934 1.00 0.00 C ATOM 520 CD LYS A 96 8.318 1.188 -3.953 1.00 0.00 C ATOM 521 CE LYS A 96 8.408 2.050 -2.709 1.00 0.00 C ATOM 522 NZ LYS A 96 8.824 3.441 -3.031 1.00 0.00 N ATOM 0 H LYS A 96 8.686 2.414 -7.681 1.00 0.00 H new ATOM 0 HA LYS A 96 11.232 1.268 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.337 0.491 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.703 -0.410 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.399 1.408 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.349 2.543 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.353 1.343 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.369 0.136 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.440 2.067 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.121 1.609 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.167 3.909 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.585 3.421 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.011 3.967 -3.411 1.00 0.00 H new ATOM 536 N LYS A 97 9.139 -0.274 -9.041 1.00 0.00 N ATOM 537 CA LYS A 97 8.981 -1.340 -10.023 1.00 0.00 C ATOM 538 C LYS A 97 8.828 -2.678 -9.309 1.00 0.00 C ATOM 539 O LYS A 97 9.799 -3.406 -9.108 1.00 0.00 O ATOM 540 CB LYS A 97 10.155 -1.383 -11.004 1.00 0.00 C ATOM 541 CG LYS A 97 10.267 -0.144 -11.876 1.00 0.00 C ATOM 542 CD LYS A 97 9.401 -0.262 -13.118 1.00 0.00 C ATOM 543 CE LYS A 97 9.984 0.528 -14.277 1.00 0.00 C ATOM 544 NZ LYS A 97 9.727 -0.136 -15.585 1.00 0.00 N ATOM 0 H LYS A 97 8.319 0.326 -8.947 1.00 0.00 H new ATOM 0 HA LYS A 97 8.082 -1.137 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.081 -1.507 -10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.050 -2.259 -11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.968 0.734 -11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.307 0.005 -12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.308 -1.311 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.396 0.099 -12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.553 1.529 -14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.058 0.644 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.140 0.434 -16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.159 -1.082 -15.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.702 -0.224 -15.734 1.00 0.00 H new ATOM 558 N VAL A 98 7.594 -2.981 -8.912 1.00 0.00 N ATOM 559 CA VAL A 98 7.291 -4.218 -8.203 1.00 0.00 C ATOM 560 C VAL A 98 5.899 -4.728 -8.564 1.00 0.00 C ATOM 561 O VAL A 98 5.064 -3.974 -9.062 1.00 0.00 O ATOM 562 CB VAL A 98 7.373 -4.013 -6.679 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.789 -3.646 -6.264 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.387 -2.942 -6.234 1.00 0.00 C ATOM 0 H VAL A 98 6.784 -2.381 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 98 8.033 -4.956 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 98 7.107 -4.950 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.827 -3.505 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.471 -4.447 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.086 -2.722 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.457 -2.809 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.622 -2.001 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.374 -3.248 -6.497 1.00 0.00 H new ATOM 574 N LYS A 99 5.650 -6.011 -8.306 1.00 0.00 N ATOM 575 CA LYS A 99 4.355 -6.610 -8.613 1.00 0.00 C ATOM 576 C LYS A 99 3.314 -6.253 -7.557 1.00 0.00 C ATOM 577 O LYS A 99 2.792 -7.125 -6.864 1.00 0.00 O ATOM 578 CB LYS A 99 4.474 -8.132 -8.730 1.00 0.00 C ATOM 579 CG LYS A 99 5.390 -8.590 -9.852 1.00 0.00 C ATOM 580 CD LYS A 99 4.692 -9.566 -10.788 1.00 0.00 C ATOM 581 CE LYS A 99 3.687 -8.863 -11.687 1.00 0.00 C ATOM 582 NZ LYS A 99 4.277 -7.669 -12.355 1.00 0.00 N ATOM 0 H LYS A 99 6.325 -6.651 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 99 4.028 -6.205 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.843 -8.532 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.481 -8.554 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.732 -7.724 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.276 -9.063 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.435 -10.076 -11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.183 -10.331 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.327 -9.561 -12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.823 -8.558 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.851 -7.552 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.088 -6.822 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.304 -7.799 -12.454 1.00 0.00 H new ATOM 596 N ILE A 100 3.023 -4.964 -7.440 1.00 0.00 N ATOM 597 CA ILE A 100 2.033 -4.487 -6.484 1.00 0.00 C ATOM 598 C ILE A 100 1.091 -3.496 -7.151 1.00 0.00 C ATOM 599 O ILE A 100 1.501 -2.405 -7.547 1.00 0.00 O ATOM 600 CB ILE A 100 2.694 -3.818 -5.261 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.618 -4.808 -4.549 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.634 -3.296 -4.300 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.379 -4.200 -3.390 1.00 0.00 C ATOM 0 H ILE A 100 3.460 -4.229 -7.996 1.00 0.00 H new ATOM 0 HA ILE A 100 1.473 -5.355 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 100 3.289 -2.974 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.026 -5.647 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.330 -5.210 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.119 -2.827 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.010 -2.562 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.014 -4.124 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.014 -4.959 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.998 -3.379 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.674 -3.823 -2.649 1.00 0.00 H new ATOM 615 N GLU A 101 -0.169 -3.885 -7.285 1.00 0.00 N ATOM 616 CA GLU A 101 -1.163 -3.026 -7.908 1.00 0.00 C ATOM 617 C GLU A 101 -2.521 -3.196 -7.243 1.00 0.00 C ATOM 618 O GLU A 101 -2.806 -4.228 -6.637 1.00 0.00 O ATOM 619 CB GLU A 101 -1.278 -3.331 -9.401 1.00 0.00 C ATOM 620 CG GLU A 101 -1.799 -4.727 -9.698 1.00 0.00 C ATOM 621 CD GLU A 101 -2.779 -4.747 -10.853 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.582 -3.971 -11.812 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.748 -5.533 -10.795 1.00 0.00 O ATOM 0 H GLU A 101 -0.525 -4.788 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.838 -1.993 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.941 -2.599 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.299 -3.212 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.960 -5.384 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.284 -5.128 -8.808 1.00 0.00 H new ATOM 630 N LEU A 102 -3.355 -2.176 -7.369 1.00 0.00 N ATOM 631 CA LEU A 102 -4.684 -2.198 -6.785 1.00 0.00 C ATOM 632 C LEU A 102 -5.605 -3.162 -7.527 1.00 0.00 C ATOM 633 O LEU A 102 -5.518 -3.316 -8.745 1.00 0.00 O ATOM 634 CB LEU A 102 -5.284 -0.790 -6.801 1.00 0.00 C ATOM 635 CG LEU A 102 -6.792 -0.725 -6.559 1.00 0.00 C ATOM 636 CD1 LEU A 102 -7.135 -1.052 -5.115 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.333 0.629 -6.935 1.00 0.00 C ATOM 0 H LEU A 102 -3.132 -1.318 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.592 -2.545 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.784 -0.190 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.066 -0.330 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.262 -1.476 -7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.215 -0.997 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.789 -2.058 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.647 -0.336 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.408 0.654 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.846 1.396 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.137 0.819 -7.990 1.00 0.00 H new ATOM 649 N ASP A 103 -6.488 -3.802 -6.773 1.00 0.00 N ATOM 650 CA ASP A 103 -7.464 -4.715 -7.342 1.00 0.00 C ATOM 651 C ASP A 103 -8.738 -3.929 -7.625 1.00 0.00 C ATOM 652 O ASP A 103 -9.145 -3.097 -6.814 1.00 0.00 O ATOM 653 CB ASP A 103 -7.757 -5.866 -6.378 1.00 0.00 C ATOM 654 CG ASP A 103 -8.278 -7.104 -7.088 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.981 -6.955 -8.109 1.00 0.00 O ATOM 656 OD2 ASP A 103 -7.983 -8.225 -6.621 1.00 0.00 O ATOM 0 H ASP A 103 -6.547 -3.703 -5.759 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.072 -5.147 -8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.847 -6.120 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.490 -5.539 -5.640 1.00 0.00 H new ATOM 661 N LYS A 104 -9.360 -4.178 -8.765 1.00 0.00 N ATOM 662 CA LYS A 104 -10.568 -3.450 -9.138 1.00 0.00 C ATOM 663 C LYS A 104 -11.819 -4.068 -8.520 1.00 0.00 C ATOM 664 O LYS A 104 -12.835 -3.394 -8.351 1.00 0.00 O ATOM 665 CB LYS A 104 -10.697 -3.402 -10.659 1.00 0.00 C ATOM 666 CG LYS A 104 -9.389 -3.071 -11.359 1.00 0.00 C ATOM 667 CD LYS A 104 -9.513 -1.835 -12.237 1.00 0.00 C ATOM 668 CE LYS A 104 -8.594 -0.718 -11.766 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.174 -1.160 -11.676 1.00 0.00 N ATOM 0 H LYS A 104 -9.054 -4.873 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.479 -2.436 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.060 -4.365 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.446 -2.658 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.609 -2.911 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.078 -3.920 -11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.272 -2.095 -13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.545 -1.485 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.668 0.125 -12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.925 -0.364 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.546 -0.347 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.992 -1.552 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.991 -1.889 -12.394 1.00 0.00 H new ATOM 683 N SER A 105 -11.741 -5.347 -8.176 1.00 0.00 N ATOM 684 CA SER A 105 -12.876 -6.048 -7.585 1.00 0.00 C ATOM 685 C SER A 105 -13.279 -5.436 -6.244 1.00 0.00 C ATOM 686 O SER A 105 -14.467 -5.299 -5.949 1.00 0.00 O ATOM 687 CB SER A 105 -12.544 -7.530 -7.400 1.00 0.00 C ATOM 688 OG SER A 105 -11.408 -7.698 -6.568 1.00 0.00 O ATOM 0 H SER A 105 -10.906 -5.920 -8.295 1.00 0.00 H new ATOM 0 HA SER A 105 -13.719 -5.947 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.399 -8.046 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.358 -7.988 -8.371 1.00 0.00 H new ATOM 0 HG SER A 105 -11.217 -8.654 -6.464 1.00 0.00 H new ATOM 694 N ALA A 106 -12.287 -5.065 -5.438 1.00 0.00 N ATOM 695 CA ALA A 106 -12.546 -4.486 -4.121 1.00 0.00 C ATOM 696 C ALA A 106 -13.475 -3.280 -4.198 1.00 0.00 C ATOM 697 O ALA A 106 -13.971 -2.924 -5.268 1.00 0.00 O ATOM 698 CB ALA A 106 -11.245 -4.100 -3.435 1.00 0.00 C ATOM 0 H ALA A 106 -11.298 -5.154 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.046 -5.253 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.463 -3.671 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.622 -4.986 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.717 -3.366 -4.043 1.00 0.00 H new ATOM 704 N ARG A 107 -13.696 -2.654 -3.046 1.00 0.00 N ATOM 705 CA ARG A 107 -14.571 -1.493 -2.948 1.00 0.00 C ATOM 706 C ARG A 107 -13.865 -0.338 -2.241 1.00 0.00 C ATOM 707 O ARG A 107 -13.610 0.710 -2.834 1.00 0.00 O ATOM 708 CB ARG A 107 -15.839 -1.869 -2.178 1.00 0.00 C ATOM 709 CG ARG A 107 -17.129 -1.569 -2.922 1.00 0.00 C ATOM 710 CD ARG A 107 -17.789 -0.300 -2.408 1.00 0.00 C ATOM 711 NE ARG A 107 -19.171 -0.183 -2.866 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.520 0.302 -4.054 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.591 0.723 -4.903 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.799 0.364 -4.396 1.00 0.00 N ATOM 0 H ARG A 107 -13.276 -2.936 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.834 -1.172 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.807 -2.933 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -15.847 -1.333 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.920 -1.466 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.817 -2.408 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.766 -0.294 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.220 0.567 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 107 -19.912 -0.492 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.605 0.675 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.863 1.094 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -21.517 0.040 -3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.066 0.736 -5.307 1.00 0.00 H new ATOM 728 N HIS A 108 -13.551 -0.549 -0.968 1.00 0.00 N ATOM 729 CA HIS A 108 -12.889 0.465 -0.155 1.00 0.00 C ATOM 730 C HIS A 108 -11.419 0.618 -0.532 1.00 0.00 C ATOM 731 O HIS A 108 -10.903 -0.101 -1.389 1.00 0.00 O ATOM 732 CB HIS A 108 -12.997 0.094 1.323 1.00 0.00 C ATOM 733 CG HIS A 108 -12.460 -1.269 1.635 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.143 -1.624 1.436 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.069 -2.367 2.140 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.965 -2.879 1.807 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.119 -3.352 2.240 1.00 0.00 N ATOM 0 H HIS A 108 -13.746 -1.420 -0.474 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.388 1.416 -0.340 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.458 0.833 1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.043 0.143 1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.110 -2.452 2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.034 -3.425 1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -12.278 -4.296 2.592 1.00 0.00 H new ATOM 746 N LEU A 109 -10.754 1.566 0.121 1.00 0.00 N ATOM 747 CA LEU A 109 -9.340 1.818 -0.118 1.00 0.00 C ATOM 748 C LEU A 109 -8.599 1.987 1.202 1.00 0.00 C ATOM 749 O LEU A 109 -8.463 3.098 1.716 1.00 0.00 O ATOM 750 CB LEU A 109 -9.146 3.062 -0.989 1.00 0.00 C ATOM 751 CG LEU A 109 -9.591 2.911 -2.445 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.247 4.162 -3.238 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.949 1.685 -3.075 1.00 0.00 C ATOM 0 H LEU A 109 -11.176 2.174 0.823 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.930 0.958 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.696 3.889 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.091 3.336 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.673 2.778 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.570 4.038 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.754 5.022 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.169 4.325 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.277 1.594 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.864 1.787 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.245 0.794 -2.521 1.00 0.00 H new ATOM 765 N TYR A 110 -8.137 0.872 1.753 1.00 0.00 N ATOM 766 CA TYR A 110 -7.403 0.880 3.010 1.00 0.00 C ATOM 767 C TYR A 110 -6.365 -0.232 3.026 1.00 0.00 C ATOM 768 O TYR A 110 -6.697 -1.402 3.219 1.00 0.00 O ATOM 769 CB TYR A 110 -8.358 0.719 4.195 1.00 0.00 C ATOM 770 CG TYR A 110 -9.157 1.966 4.506 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.568 3.048 5.149 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.498 2.061 4.159 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.294 4.189 5.437 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.231 3.198 4.443 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.624 4.259 5.082 1.00 0.00 C ATOM 776 OH TYR A 110 -11.349 5.393 5.366 1.00 0.00 O ATOM 0 H TYR A 110 -8.259 -0.055 1.345 1.00 0.00 H new ATOM 0 HA TYR A 110 -6.894 1.840 3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.046 -0.100 3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.784 0.437 5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.526 2.997 5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -10.977 1.232 3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.821 5.021 5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.273 3.255 4.166 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.269 5.281 5.049 1.00 0.00 H new ATOM 786 N ILE A 111 -5.109 0.137 2.811 1.00 0.00 N ATOM 787 CA ILE A 111 -4.024 -0.831 2.800 1.00 0.00 C ATOM 788 C ILE A 111 -3.614 -1.204 4.217 1.00 0.00 C ATOM 789 O ILE A 111 -4.038 -0.573 5.184 1.00 0.00 O ATOM 790 CB ILE A 111 -2.794 -0.292 2.047 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.236 0.944 2.757 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.155 0.037 0.606 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.001 1.515 2.094 1.00 0.00 C ATOM 0 H ILE A 111 -4.818 1.100 2.642 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.394 -1.716 2.283 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.024 -1.064 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.008 1.713 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.998 0.684 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.274 0.417 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.510 -0.864 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.939 0.794 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.660 2.388 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.213 0.762 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.239 1.806 1.071 1.00 0.00 H new ATOM 805 N CYS A 112 -2.791 -2.236 4.332 1.00 0.00 N ATOM 806 CA CYS A 112 -2.319 -2.691 5.630 1.00 0.00 C ATOM 807 C CYS A 112 -1.016 -1.993 6.002 1.00 0.00 C ATOM 808 O CYS A 112 -0.293 -1.507 5.134 1.00 0.00 O ATOM 809 CB CYS A 112 -2.114 -4.205 5.613 1.00 0.00 C ATOM 810 SG CYS A 112 -1.028 -4.785 4.289 1.00 0.00 S ATOM 0 H CYS A 112 -2.436 -2.774 3.541 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.072 -2.442 6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.699 -4.516 6.572 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.084 -4.692 5.513 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.665 -4.746 3.157 1.00 0.00 H new ATOM 815 N ASP A 113 -0.726 -1.940 7.298 1.00 0.00 N ATOM 816 CA ASP A 113 0.496 -1.305 7.779 1.00 0.00 C ATOM 817 C ASP A 113 1.709 -1.847 7.034 1.00 0.00 C ATOM 818 O ASP A 113 2.634 -1.105 6.702 1.00 0.00 O ATOM 819 CB ASP A 113 0.663 -1.545 9.281 1.00 0.00 C ATOM 820 CG ASP A 113 0.412 -0.296 10.101 1.00 0.00 C ATOM 821 OD1 ASP A 113 -0.752 -0.066 10.495 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.380 0.452 10.355 1.00 0.00 O ATOM 0 H ASP A 113 -1.318 -2.328 8.032 1.00 0.00 H new ATOM 0 HA ASP A 113 0.419 -0.233 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.025 -2.328 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.672 -1.908 9.477 1.00 0.00 H new ATOM 827 N TYR A 114 1.689 -3.148 6.768 1.00 0.00 N ATOM 828 CA TYR A 114 2.782 -3.813 6.070 1.00 0.00 C ATOM 829 C TYR A 114 3.125 -3.105 4.762 1.00 0.00 C ATOM 830 O TYR A 114 4.234 -2.594 4.597 1.00 0.00 O ATOM 831 CB TYR A 114 2.402 -5.268 5.788 1.00 0.00 C ATOM 832 CG TYR A 114 3.445 -6.037 5.012 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.670 -6.355 5.583 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.202 -6.451 3.707 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.624 -7.062 4.878 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.152 -7.159 2.995 1.00 0.00 C ATOM 837 CZ TYR A 114 5.360 -7.462 3.584 1.00 0.00 C ATOM 838 OH TYR A 114 6.309 -8.168 2.879 1.00 0.00 O ATOM 0 H TYR A 114 0.921 -3.767 7.028 1.00 0.00 H new ATOM 0 HA TYR A 114 3.663 -3.778 6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.222 -5.776 6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.464 -5.287 5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.880 -6.044 6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.256 -6.216 3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.572 -7.301 5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.948 -7.473 1.982 1.00 0.00 H new ATOM 0 HH TYR A 114 5.966 -8.374 1.985 1.00 0.00 H new ATOM 848 N HIS A 115 2.169 -3.062 3.841 1.00 0.00 N ATOM 849 CA HIS A 115 2.387 -2.424 2.548 1.00 0.00 C ATOM 850 C HIS A 115 2.598 -0.921 2.697 1.00 0.00 C ATOM 851 O HIS A 115 3.352 -0.317 1.934 1.00 0.00 O ATOM 852 CB HIS A 115 1.218 -2.710 1.602 1.00 0.00 C ATOM 853 CG HIS A 115 1.261 -4.084 1.003 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.148 -4.888 0.968 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.299 -4.740 0.428 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.528 -6.007 0.376 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.824 -5.964 0.031 1.00 0.00 N ATOM 0 H HIS A 115 1.238 -3.460 3.965 1.00 0.00 H new ATOM 0 HA HIS A 115 3.295 -2.847 2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.281 -2.588 2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.220 -1.972 0.800 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.781 -4.667 1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.306 -4.370 0.306 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.122 -6.850 0.193 1.00 0.00 H new ATOM 865 N LYS A 116 1.937 -0.315 3.679 1.00 0.00 N ATOM 866 CA LYS A 116 2.079 1.118 3.909 1.00 0.00 C ATOM 867 C LYS A 116 3.540 1.476 4.150 1.00 0.00 C ATOM 868 O LYS A 116 4.099 2.338 3.475 1.00 0.00 O ATOM 869 CB LYS A 116 1.240 1.564 5.111 1.00 0.00 C ATOM 870 CG LYS A 116 1.454 3.025 5.481 1.00 0.00 C ATOM 871 CD LYS A 116 0.782 3.383 6.798 1.00 0.00 C ATOM 872 CE LYS A 116 1.448 2.690 7.976 1.00 0.00 C ATOM 873 NZ LYS A 116 2.933 2.736 7.884 1.00 0.00 N ATOM 0 H LYS A 116 1.303 -0.789 4.323 1.00 0.00 H new ATOM 0 HA LYS A 116 1.723 1.636 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.185 1.402 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.485 0.939 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.523 3.228 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.060 3.661 4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.818 4.463 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.270 3.102 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.128 3.164 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.120 1.652 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.345 2.521 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.260 2.034 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.233 3.685 7.583 1.00 0.00 H new ATOM 887 N ASN A 117 4.151 0.794 5.111 1.00 0.00 N ATOM 888 CA ASN A 117 5.548 1.029 5.462 1.00 0.00 C ATOM 889 C ASN A 117 6.480 0.583 4.338 1.00 0.00 C ATOM 890 O ASN A 117 7.490 1.228 4.060 1.00 0.00 O ATOM 891 CB ASN A 117 5.889 0.274 6.749 1.00 0.00 C ATOM 892 CG ASN A 117 7.362 0.350 7.104 1.00 0.00 C ATOM 893 OD1 ASN A 117 8.014 1.369 6.883 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.895 -0.738 7.650 1.00 0.00 N ATOM 0 H ASN A 117 3.697 0.068 5.666 1.00 0.00 H new ATOM 0 HA ASN A 117 5.688 2.099 5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.301 0.682 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.600 -0.771 6.639 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.883 -0.750 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.316 -1.561 7.815 1.00 0.00 H new ATOM 901 N LEU A 118 6.125 -0.521 3.699 1.00 0.00 N ATOM 902 CA LEU A 118 6.926 -1.080 2.616 1.00 0.00 C ATOM 903 C LEU A 118 7.063 -0.101 1.450 1.00 0.00 C ATOM 904 O LEU A 118 8.137 0.029 0.862 1.00 0.00 O ATOM 905 CB LEU A 118 6.283 -2.384 2.131 1.00 0.00 C ATOM 906 CG LEU A 118 7.225 -3.374 1.443 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.569 -4.743 1.337 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.624 -2.870 0.064 1.00 0.00 C ATOM 0 H LEU A 118 5.281 -1.053 3.912 1.00 0.00 H new ATOM 0 HA LEU A 118 7.927 -1.277 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.825 -2.881 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.479 -2.135 1.439 1.00 0.00 H new ATOM 0 HG LEU A 118 8.127 -3.465 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.251 -5.436 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.334 -5.112 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.651 -4.663 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.294 -3.590 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.732 -2.748 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.132 -1.911 0.160 1.00 0.00 H new ATOM 920 N ILE A 119 5.982 0.602 1.135 1.00 0.00 N ATOM 921 CA ILE A 119 5.977 1.535 0.011 1.00 0.00 C ATOM 922 C ILE A 119 6.376 2.958 0.404 1.00 0.00 C ATOM 923 O ILE A 119 7.028 3.660 -0.368 1.00 0.00 O ATOM 924 CB ILE A 119 4.587 1.575 -0.647 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.136 0.154 -0.982 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.609 2.447 -1.894 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.724 0.074 -1.519 1.00 0.00 C ATOM 0 H ILE A 119 5.098 0.545 1.640 1.00 0.00 H new ATOM 0 HA ILE A 119 6.725 1.163 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 119 3.874 2.013 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.819 -0.271 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.210 -0.462 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.617 2.462 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.900 3.462 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.326 2.042 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.475 -0.965 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.030 0.468 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.649 0.662 -2.434 1.00 0.00 H new ATOM 939 N GLN A 120 5.987 3.375 1.600 1.00 0.00 N ATOM 940 CA GLN A 120 6.282 4.726 2.076 1.00 0.00 C ATOM 941 C GLN A 120 7.767 4.955 2.347 1.00 0.00 C ATOM 942 O GLN A 120 8.304 6.015 2.019 1.00 0.00 O ATOM 943 CB GLN A 120 5.511 5.006 3.369 1.00 0.00 C ATOM 944 CG GLN A 120 4.186 5.708 3.172 1.00 0.00 C ATOM 945 CD GLN A 120 4.221 7.149 3.642 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.246 7.658 4.195 1.00 0.00 O ATOM 947 NE2 GLN A 120 5.344 7.821 3.415 1.00 0.00 N ATOM 0 H GLN A 120 5.466 2.800 2.262 1.00 0.00 H new ATOM 0 HA GLN A 120 5.976 5.403 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.334 4.061 3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.135 5.613 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.916 5.679 2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.409 5.170 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.129 7.361 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.421 8.797 3.702 1.00 0.00 H new ATOM 956 N SER A 121 8.433 3.962 2.927 1.00 0.00 N ATOM 957 CA SER A 121 9.837 4.122 3.312 1.00 0.00 C ATOM 958 C SER A 121 10.843 3.527 2.325 1.00 0.00 C ATOM 959 O SER A 121 11.625 2.649 2.685 1.00 0.00 O ATOM 960 CB SER A 121 10.062 3.513 4.695 1.00 0.00 C ATOM 961 OG SER A 121 11.397 3.709 5.125 1.00 0.00 O ATOM 0 H SER A 121 8.033 3.048 3.140 1.00 0.00 H new ATOM 0 HA SER A 121 10.021 5.196 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.376 3.965 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.838 2.447 4.668 1.00 0.00 H new ATOM 0 HG SER A 121 12.012 3.307 4.476 1.00 0.00 H new