USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 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 90 GLN : amide:sc= -0.176 K(o=0.23,f=-1.7) USER MOD Set 1.2: A 94 SER OG : rot 130:sc= 0.403 USER MOD Set 2.1: A 67 CYS SG : rot -153:sc= -0.418 USER MOD Set 2.2: A 76 CYS SG : rot -80:sc= 1.13 USER MOD Set 2.3: A 112 CYS SG : rot -148:sc= 0.282 USER MOD Set 2.4: A 115 HIS : no HE2:sc= -1.35 K(o=-0.35,f=-3.6!) USER MOD Set 3.1: A 65 GLN : amide:sc= -0.371 X(o=-1.3,f=-1.1) USER MOD Set 3.2: A 108 HIS : no HD1:sc= -0.947 K(o=-1.3,f=-3.1!) USER MOD Single : A 68 CYS SG : rot 51:sc= -0.13 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.103 (180deg=-0.487) USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= -0.0791 (180deg=-0.53) USER MOD Single : A 92 SER OG : rot 67:sc= 0.0157 USER MOD Single : A 95 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.79) USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= -0.209 (180deg=-0.712) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= -0.269 (180deg=-1.01) USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0867) USER MOD Single : A 105 SER OG : rot -101:sc= 0.514 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+ 173:sc= -1.17 (180deg=-1.22) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.6) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.736 -5.448 7.722 1.00 0.00 N ATOM 46 CA GLN A 65 -11.537 -5.498 6.282 1.00 0.00 C ATOM 47 C GLN A 65 -10.146 -6.018 5.954 1.00 0.00 C ATOM 48 O GLN A 65 -9.288 -6.120 6.830 1.00 0.00 O ATOM 49 CB GLN A 65 -11.733 -4.113 5.665 1.00 0.00 C ATOM 50 CG GLN A 65 -13.142 -3.571 5.827 1.00 0.00 C ATOM 51 CD GLN A 65 -14.201 -4.592 5.458 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.705 -5.317 6.315 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.535 -4.662 4.176 1.00 0.00 N ATOM 0 HA GLN A 65 -12.276 -6.179 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.030 -3.417 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.490 -4.159 4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.290 -3.255 6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.262 -2.686 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.092 -4.041 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.235 -5.337 3.867 1.00 0.00 H new ATOM 62 N LEU A 66 -9.925 -6.342 4.689 1.00 0.00 N ATOM 63 CA LEU A 66 -8.634 -6.850 4.260 1.00 0.00 C ATOM 64 C LEU A 66 -7.910 -5.859 3.362 1.00 0.00 C ATOM 65 O LEU A 66 -8.481 -4.858 2.931 1.00 0.00 O ATOM 66 CB LEU A 66 -8.795 -8.189 3.557 1.00 0.00 C ATOM 67 CG LEU A 66 -8.319 -9.371 4.392 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.464 -9.997 5.162 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.634 -10.391 3.524 1.00 0.00 C ATOM 0 H LEU A 66 -10.620 -6.262 3.946 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.023 -6.993 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.845 -8.333 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.239 -8.168 2.620 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.597 -8.999 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.092 -10.838 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.902 -9.255 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.223 -10.349 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.301 -11.227 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.331 -10.752 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.773 -9.934 3.036 1.00 0.00 H new ATOM 81 N CYS A 67 -6.640 -6.146 3.099 1.00 0.00 N ATOM 82 CA CYS A 67 -5.807 -5.295 2.257 1.00 0.00 C ATOM 83 C CYS A 67 -6.245 -5.376 0.796 1.00 0.00 C ATOM 84 O CYS A 67 -6.392 -6.467 0.245 1.00 0.00 O ATOM 85 CB CYS A 67 -4.341 -5.714 2.399 1.00 0.00 C ATOM 86 SG CYS A 67 -3.220 -4.937 1.214 1.00 0.00 S ATOM 0 H CYS A 67 -6.161 -6.970 3.461 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.920 -4.261 2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.005 -5.476 3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.273 -6.796 2.288 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.195 -5.712 1.014 1.00 0.00 H new ATOM 91 N CYS A 68 -6.438 -4.216 0.167 1.00 0.00 N ATOM 92 CA CYS A 68 -6.872 -4.168 -1.228 1.00 0.00 C ATOM 93 C CYS A 68 -5.691 -4.146 -2.198 1.00 0.00 C ATOM 94 O CYS A 68 -5.718 -3.432 -3.199 1.00 0.00 O ATOM 95 CB CYS A 68 -7.764 -2.948 -1.477 1.00 0.00 C ATOM 96 SG CYS A 68 -6.912 -1.362 -1.333 1.00 0.00 S ATOM 0 H CYS A 68 -6.301 -3.302 0.599 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.442 -5.079 -1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.196 -3.026 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.592 -2.968 -0.769 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.837 -1.379 -2.064 1.00 0.00 H new ATOM 102 N LEU A 69 -4.650 -4.911 -1.889 1.00 0.00 N ATOM 103 CA LEU A 69 -3.487 -5.006 -2.764 1.00 0.00 C ATOM 104 C LEU A 69 -3.186 -6.463 -3.093 1.00 0.00 C ATOM 105 O LEU A 69 -3.658 -7.373 -2.412 1.00 0.00 O ATOM 106 CB LEU A 69 -2.268 -4.357 -2.114 1.00 0.00 C ATOM 107 CG LEU A 69 -2.445 -2.884 -1.769 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.259 -2.378 -0.961 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.619 -2.058 -3.036 1.00 0.00 C ATOM 0 H LEU A 69 -4.587 -5.474 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.714 -4.474 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.024 -4.904 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.416 -4.460 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.344 -2.778 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.403 -1.324 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.178 -2.950 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.345 -2.497 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.744 -1.008 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.738 -2.170 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.500 -2.403 -3.577 1.00 0.00 H new ATOM 121 N ARG A 70 -2.402 -6.679 -4.143 1.00 0.00 N ATOM 122 CA ARG A 70 -2.039 -8.028 -4.557 1.00 0.00 C ATOM 123 C ARG A 70 -0.550 -8.118 -4.864 1.00 0.00 C ATOM 124 O ARG A 70 -0.091 -7.625 -5.894 1.00 0.00 O ATOM 125 CB ARG A 70 -2.834 -8.447 -5.796 1.00 0.00 C ATOM 126 CG ARG A 70 -4.322 -8.162 -5.700 1.00 0.00 C ATOM 127 CD ARG A 70 -5.039 -8.513 -6.997 1.00 0.00 C ATOM 128 NE ARG A 70 -5.479 -9.911 -7.048 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.026 -10.824 -7.915 1.00 0.00 C ATOM 130 NH1 ARG A 70 -4.021 -10.553 -8.742 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.570 -12.032 -7.942 1.00 0.00 N ATOM 0 H ARG A 70 -2.006 -5.938 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.276 -8.700 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.431 -7.929 -6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.689 -9.514 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.752 -8.735 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.478 -7.108 -5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.904 -7.861 -7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.374 -8.316 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.183 -10.210 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.579 -9.634 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.692 -11.264 -9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.331 -12.263 -7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.228 -12.731 -8.601 1.00 0.00 H new ATOM 145 N GLU A 71 0.203 -8.738 -3.965 1.00 0.00 N ATOM 146 CA GLU A 71 1.636 -8.899 -4.167 1.00 0.00 C ATOM 147 C GLU A 71 1.917 -10.244 -4.824 1.00 0.00 C ATOM 148 O GLU A 71 1.605 -11.296 -4.264 1.00 0.00 O ATOM 149 CB GLU A 71 2.390 -8.788 -2.841 1.00 0.00 C ATOM 150 CG GLU A 71 3.898 -8.720 -3.012 1.00 0.00 C ATOM 151 CD GLU A 71 4.629 -8.531 -1.699 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.316 -7.558 -0.980 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.519 -9.351 -1.391 1.00 0.00 O ATOM 0 H GLU A 71 -0.152 -9.135 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 71 1.986 -8.101 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.051 -7.898 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.140 -9.645 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.247 -9.636 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.146 -7.898 -3.683 1.00 0.00 H new ATOM 160 N ASP A 72 2.500 -10.203 -6.017 1.00 0.00 N ATOM 161 CA ASP A 72 2.802 -11.419 -6.762 1.00 0.00 C ATOM 162 C ASP A 72 1.542 -12.264 -6.933 1.00 0.00 C ATOM 163 O ASP A 72 1.609 -13.490 -7.026 1.00 0.00 O ATOM 164 CB ASP A 72 3.900 -12.226 -6.066 1.00 0.00 C ATOM 165 CG ASP A 72 5.290 -11.789 -6.493 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.778 -12.291 -7.528 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.889 -10.944 -5.795 1.00 0.00 O ATOM 0 H ASP A 72 2.773 -9.341 -6.489 1.00 0.00 H new ATOM 0 HA ASP A 72 3.166 -11.134 -7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.802 -12.115 -4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.769 -13.284 -6.291 1.00 0.00 H new ATOM 172 N GLY A 73 0.394 -11.589 -6.975 1.00 0.00 N ATOM 173 CA GLY A 73 -0.878 -12.272 -7.147 1.00 0.00 C ATOM 174 C GLY A 73 -1.506 -12.713 -5.837 1.00 0.00 C ATOM 175 O GLY A 73 -2.647 -13.174 -5.821 1.00 0.00 O ATOM 0 H GLY A 73 0.323 -10.575 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.570 -11.611 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.731 -13.145 -7.783 1.00 0.00 H new ATOM 179 N GLU A 74 -0.772 -12.581 -4.737 1.00 0.00 N ATOM 180 CA GLU A 74 -1.298 -12.967 -3.432 1.00 0.00 C ATOM 181 C GLU A 74 -2.046 -11.806 -2.794 1.00 0.00 C ATOM 182 O GLU A 74 -1.502 -10.709 -2.657 1.00 0.00 O ATOM 183 CB GLU A 74 -0.172 -13.441 -2.511 1.00 0.00 C ATOM 184 CG GLU A 74 0.169 -14.912 -2.683 1.00 0.00 C ATOM 185 CD GLU A 74 -1.064 -15.794 -2.662 1.00 0.00 C ATOM 186 OE1 GLU A 74 -1.692 -15.912 -1.589 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.406 -16.360 -3.721 1.00 0.00 O ATOM 0 H GLU A 74 0.179 -12.214 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.994 -13.793 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.720 -12.844 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.460 -13.261 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.698 -15.052 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.848 -15.221 -1.888 1.00 0.00 H new ATOM 194 N ARG A 75 -3.291 -12.050 -2.386 1.00 0.00 N ATOM 195 CA ARG A 75 -4.107 -11.003 -1.780 1.00 0.00 C ATOM 196 C ARG A 75 -3.657 -10.698 -0.353 1.00 0.00 C ATOM 197 O ARG A 75 -4.469 -10.702 0.563 1.00 0.00 O ATOM 198 CB ARG A 75 -5.575 -11.448 -1.770 1.00 0.00 C ATOM 199 CG ARG A 75 -6.502 -10.536 -2.551 1.00 0.00 C ATOM 200 CD ARG A 75 -6.329 -10.732 -4.045 1.00 0.00 C ATOM 201 NE ARG A 75 -6.536 -12.128 -4.437 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.494 -12.564 -5.259 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.395 -11.737 -5.782 1.00 0.00 N ATOM 204 NH2 ARG A 75 -7.547 -13.853 -5.565 1.00 0.00 N ATOM 0 H ARG A 75 -3.752 -12.956 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.991 -10.095 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.641 -12.455 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.920 -11.502 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.536 -10.738 -2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.299 -9.497 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.035 -10.096 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.328 -10.416 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.897 -12.823 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.365 -10.742 -5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.116 -12.097 -6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.861 -14.499 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.274 -14.199 -6.192 1.00 0.00 H new ATOM 218 N CYS A 76 -2.384 -10.329 -0.204 1.00 0.00 N ATOM 219 CA CYS A 76 -1.791 -9.996 1.094 1.00 0.00 C ATOM 220 C CYS A 76 -2.108 -11.019 2.196 1.00 0.00 C ATOM 221 O CYS A 76 -1.229 -11.761 2.636 1.00 0.00 O ATOM 222 CB CYS A 76 -2.249 -8.606 1.527 1.00 0.00 C ATOM 223 SG CYS A 76 -1.044 -7.722 2.542 1.00 0.00 S ATOM 0 H CYS A 76 -1.731 -10.252 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.710 -10.017 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.466 -8.013 0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.181 -8.698 2.085 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.115 -8.146 3.769 1.00 0.00 H new ATOM 228 N GLY A 77 -3.353 -11.040 2.651 1.00 0.00 N ATOM 229 CA GLY A 77 -3.746 -11.945 3.712 1.00 0.00 C ATOM 230 C GLY A 77 -3.793 -11.238 5.053 1.00 0.00 C ATOM 231 O GLY A 77 -4.260 -11.798 6.045 1.00 0.00 O ATOM 0 H GLY A 77 -4.102 -10.442 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.725 -12.368 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.043 -12.777 3.762 1.00 0.00 H new ATOM 235 N ARG A 78 -3.291 -10.003 5.081 1.00 0.00 N ATOM 236 CA ARG A 78 -3.283 -9.199 6.288 1.00 0.00 C ATOM 237 C ARG A 78 -4.432 -8.201 6.240 1.00 0.00 C ATOM 238 O ARG A 78 -4.756 -7.668 5.178 1.00 0.00 O ATOM 239 CB ARG A 78 -1.946 -8.471 6.418 1.00 0.00 C ATOM 240 CG ARG A 78 -1.609 -8.051 7.837 1.00 0.00 C ATOM 241 CD ARG A 78 -0.214 -7.453 7.917 1.00 0.00 C ATOM 242 NE ARG A 78 0.122 -7.026 9.271 1.00 0.00 N ATOM 243 CZ ARG A 78 -0.192 -5.835 9.772 1.00 0.00 C ATOM 244 NH1 ARG A 78 -0.875 -4.962 9.044 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.170 -5.519 11.007 1.00 0.00 N ATOM 0 H ARG A 78 -2.882 -9.540 4.269 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.411 -9.844 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.153 -9.118 6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.962 -7.586 5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.340 -7.322 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.676 -8.914 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.515 -8.188 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.146 -6.601 7.241 1.00 0.00 H new ATOM 0 HE ARG A 78 0.628 -7.680 9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.162 -5.203 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.113 -4.050 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.690 -6.189 11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.071 -4.605 11.391 1.00 0.00 H new ATOM 259 N ALA A 79 -5.049 -7.947 7.381 1.00 0.00 N ATOM 260 CA ALA A 79 -6.176 -7.030 7.435 1.00 0.00 C ATOM 261 C ALA A 79 -5.772 -5.607 7.049 1.00 0.00 C ATOM 262 O ALA A 79 -4.587 -5.282 6.975 1.00 0.00 O ATOM 263 CB ALA A 79 -6.804 -7.062 8.813 1.00 0.00 C ATOM 0 H ALA A 79 -4.791 -8.359 8.278 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.913 -7.359 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.647 -6.372 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.153 -8.072 9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.065 -6.765 9.557 1.00 0.00 H new ATOM 269 N ALA A 80 -6.776 -4.767 6.798 1.00 0.00 N ATOM 270 CA ALA A 80 -6.545 -3.379 6.407 1.00 0.00 C ATOM 271 C ALA A 80 -6.141 -2.524 7.603 1.00 0.00 C ATOM 272 O ALA A 80 -6.537 -2.798 8.736 1.00 0.00 O ATOM 273 CB ALA A 80 -7.787 -2.807 5.742 1.00 0.00 C ATOM 0 H ALA A 80 -7.761 -5.026 6.859 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.721 -3.363 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.602 -1.772 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.027 -3.392 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.624 -2.846 6.439 1.00 0.00 H new ATOM 279 N GLY A 81 -5.363 -1.478 7.338 1.00 0.00 N ATOM 280 CA GLY A 81 -4.902 -0.609 8.404 1.00 0.00 C ATOM 281 C GLY A 81 -5.623 0.725 8.460 1.00 0.00 C ATOM 282 O GLY A 81 -6.853 0.777 8.517 1.00 0.00 O ATOM 0 H GLY A 81 -5.044 -1.218 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.029 -1.121 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.834 -0.430 8.278 1.00 0.00 H new ATOM 286 N ASN A 82 -4.849 1.807 8.433 1.00 0.00 N ATOM 287 CA ASN A 82 -5.404 3.154 8.521 1.00 0.00 C ATOM 288 C ASN A 82 -5.110 3.977 7.266 1.00 0.00 C ATOM 289 O ASN A 82 -5.880 4.868 6.905 1.00 0.00 O ATOM 290 CB ASN A 82 -4.821 3.854 9.750 1.00 0.00 C ATOM 291 CG ASN A 82 -5.808 4.787 10.421 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.533 5.527 9.759 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.845 4.747 11.748 1.00 0.00 N ATOM 0 H ASN A 82 -3.833 1.776 8.351 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.487 3.071 8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.493 3.103 10.468 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.937 4.420 9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.494 5.346 12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.225 4.117 12.257 1.00 0.00 H new ATOM 300 N ALA A 83 -3.995 3.679 6.607 1.00 0.00 N ATOM 301 CA ALA A 83 -3.602 4.407 5.404 1.00 0.00 C ATOM 302 C ALA A 83 -4.530 4.108 4.232 1.00 0.00 C ATOM 303 O ALA A 83 -5.227 3.093 4.217 1.00 0.00 O ATOM 304 CB ALA A 83 -2.164 4.077 5.035 1.00 0.00 C ATOM 0 H ALA A 83 -3.348 2.940 6.884 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.681 5.472 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.884 4.626 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.504 4.361 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.072 3.007 4.849 1.00 0.00 H new ATOM 310 N SER A 84 -4.529 5.003 3.250 1.00 0.00 N ATOM 311 CA SER A 84 -5.363 4.847 2.066 1.00 0.00 C ATOM 312 C SER A 84 -4.521 4.941 0.798 1.00 0.00 C ATOM 313 O SER A 84 -3.564 5.711 0.734 1.00 0.00 O ATOM 314 CB SER A 84 -6.449 5.925 2.034 1.00 0.00 C ATOM 315 OG SER A 84 -6.870 6.266 3.343 1.00 0.00 O ATOM 0 H SER A 84 -3.957 5.847 3.252 1.00 0.00 H new ATOM 0 HA SER A 84 -5.831 3.863 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.069 6.813 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.302 5.569 1.456 1.00 0.00 H new ATOM 0 HG SER A 84 -7.563 6.958 3.294 1.00 0.00 H new ATOM 321 N PHE A 85 -4.879 4.150 -0.205 1.00 0.00 N ATOM 322 CA PHE A 85 -4.168 4.163 -1.477 1.00 0.00 C ATOM 323 C PHE A 85 -4.339 5.524 -2.144 1.00 0.00 C ATOM 324 O PHE A 85 -5.443 6.066 -2.182 1.00 0.00 O ATOM 325 CB PHE A 85 -4.709 3.055 -2.377 1.00 0.00 C ATOM 326 CG PHE A 85 -3.963 2.875 -3.668 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.746 2.212 -3.698 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.500 3.337 -4.858 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.079 2.018 -4.892 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.843 3.137 -6.054 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.633 2.478 -6.071 1.00 0.00 C ATOM 0 H PHE A 85 -5.657 3.492 -0.163 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.106 3.988 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.687 2.115 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.754 3.267 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.315 1.844 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.445 3.860 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.127 1.508 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.276 3.496 -6.976 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.117 2.321 -7.007 1.00 0.00 H new ATOM 341 N SER A 86 -3.249 6.077 -2.664 1.00 0.00 N ATOM 342 CA SER A 86 -3.303 7.388 -3.302 1.00 0.00 C ATOM 343 C SER A 86 -2.498 7.423 -4.596 1.00 0.00 C ATOM 344 O SER A 86 -2.117 6.385 -5.137 1.00 0.00 O ATOM 345 CB SER A 86 -2.766 8.452 -2.343 1.00 0.00 C ATOM 346 OG SER A 86 -3.046 8.113 -0.995 1.00 0.00 O ATOM 0 H SER A 86 -2.326 5.644 -2.657 1.00 0.00 H new ATOM 0 HA SER A 86 -4.345 7.593 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.690 8.558 -2.478 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.213 9.418 -2.579 1.00 0.00 H new ATOM 0 HG SER A 86 -2.691 8.808 -0.402 1.00 0.00 H new ATOM 352 N LYS A 87 -2.277 8.635 -5.098 1.00 0.00 N ATOM 353 CA LYS A 87 -1.505 8.850 -6.318 1.00 0.00 C ATOM 354 C LYS A 87 -0.012 8.720 -6.029 1.00 0.00 C ATOM 355 O LYS A 87 0.737 8.108 -6.788 1.00 0.00 O ATOM 356 CB LYS A 87 -1.805 10.238 -6.889 1.00 0.00 C ATOM 357 CG LYS A 87 -3.278 10.616 -6.836 1.00 0.00 C ATOM 358 CD LYS A 87 -3.936 10.494 -8.199 1.00 0.00 C ATOM 359 CE LYS A 87 -5.389 10.065 -8.079 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.515 8.685 -7.533 1.00 0.00 N ATOM 0 H LYS A 87 -2.627 9.493 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.789 8.094 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.228 10.980 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.466 10.276 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.794 9.972 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.379 11.639 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.880 11.451 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.390 9.770 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.921 10.762 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.864 10.113 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.408 8.263 -7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.717 8.106 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.508 8.721 -6.494 1.00 0.00 H new ATOM 374 N ARG A 88 0.409 9.321 -4.924 1.00 0.00 N ATOM 375 CA ARG A 88 1.803 9.280 -4.500 1.00 0.00 C ATOM 376 C ARG A 88 2.297 7.842 -4.446 1.00 0.00 C ATOM 377 O ARG A 88 3.293 7.489 -5.077 1.00 0.00 O ATOM 378 CB ARG A 88 1.925 9.935 -3.123 1.00 0.00 C ATOM 379 CG ARG A 88 3.264 9.734 -2.430 1.00 0.00 C ATOM 380 CD ARG A 88 3.074 9.423 -0.951 1.00 0.00 C ATOM 381 NE ARG A 88 2.015 10.234 -0.348 1.00 0.00 N ATOM 382 CZ ARG A 88 1.714 10.212 0.945 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.423 9.468 1.782 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.708 10.945 1.404 1.00 0.00 N ATOM 0 H ARG A 88 -0.202 9.848 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 88 2.417 9.824 -5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.745 11.005 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.138 9.542 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.807 8.919 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.873 10.631 -2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.833 8.367 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.010 9.599 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 88 1.477 10.852 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.203 8.910 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.189 9.453 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.166 11.525 0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.476 10.928 2.397 1.00 0.00 H new ATOM 398 N ILE A 89 1.591 7.020 -3.683 1.00 0.00 N ATOM 399 CA ILE A 89 1.944 5.618 -3.541 1.00 0.00 C ATOM 400 C ILE A 89 2.104 4.962 -4.909 1.00 0.00 C ATOM 401 O ILE A 89 2.965 4.104 -5.097 1.00 0.00 O ATOM 402 CB ILE A 89 0.886 4.868 -2.712 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.785 5.496 -1.319 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.229 3.389 -2.611 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.330 4.927 -0.471 1.00 0.00 C ATOM 0 H ILE A 89 0.768 7.303 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 89 2.897 5.563 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.079 4.953 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.732 5.356 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.636 6.570 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.468 2.878 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.265 2.955 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.200 3.273 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.337 5.422 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.286 5.091 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.172 3.858 -0.332 1.00 0.00 H new ATOM 417 N GLN A 90 1.275 5.377 -5.864 1.00 0.00 N ATOM 418 CA GLN A 90 1.346 4.840 -7.219 1.00 0.00 C ATOM 419 C GLN A 90 2.670 5.232 -7.863 1.00 0.00 C ATOM 420 O GLN A 90 3.356 4.400 -8.456 1.00 0.00 O ATOM 421 CB GLN A 90 0.170 5.350 -8.060 1.00 0.00 C ATOM 422 CG GLN A 90 0.277 5.027 -9.543 1.00 0.00 C ATOM 423 CD GLN A 90 0.909 6.151 -10.344 1.00 0.00 C ATOM 424 OE1 GLN A 90 2.112 6.146 -10.604 1.00 0.00 O ATOM 425 NE2 GLN A 90 0.097 7.128 -10.732 1.00 0.00 N ATOM 0 H GLN A 90 0.550 6.080 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 90 1.286 3.753 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.753 4.920 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.094 6.431 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.867 4.119 -9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.718 4.820 -9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.894 7.092 -10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.465 7.914 -11.268 1.00 0.00 H new ATOM 434 N LYS A 91 3.026 6.505 -7.729 1.00 0.00 N ATOM 435 CA LYS A 91 4.271 7.011 -8.279 1.00 0.00 C ATOM 436 C LYS A 91 5.446 6.239 -7.686 1.00 0.00 C ATOM 437 O LYS A 91 6.409 5.912 -8.383 1.00 0.00 O ATOM 438 CB LYS A 91 4.392 8.507 -7.984 1.00 0.00 C ATOM 439 CG LYS A 91 4.713 9.349 -9.210 1.00 0.00 C ATOM 440 CD LYS A 91 6.201 9.363 -9.517 1.00 0.00 C ATOM 441 CE LYS A 91 6.920 10.459 -8.746 1.00 0.00 C ATOM 442 NZ LYS A 91 6.475 11.818 -9.164 1.00 0.00 N ATOM 0 H LYS A 91 2.466 7.205 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 91 4.280 6.872 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.457 8.859 -7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.170 8.659 -7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.169 8.959 -10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.366 10.370 -9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.634 8.395 -9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.351 9.511 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.739 10.330 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.995 10.366 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.222 12.509 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.284 11.822 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.608 12.073 -8.649 1.00 0.00 H new ATOM 456 N SER A 92 5.351 5.939 -6.392 1.00 0.00 N ATOM 457 CA SER A 92 6.390 5.185 -5.705 1.00 0.00 C ATOM 458 C SER A 92 6.489 3.784 -6.298 1.00 0.00 C ATOM 459 O SER A 92 7.582 3.286 -6.566 1.00 0.00 O ATOM 460 CB SER A 92 6.090 5.104 -4.206 1.00 0.00 C ATOM 461 OG SER A 92 6.033 6.395 -3.626 1.00 0.00 O ATOM 0 H SER A 92 4.564 6.208 -5.801 1.00 0.00 H new ATOM 0 HA SER A 92 7.343 5.697 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.142 4.590 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.859 4.513 -3.710 1.00 0.00 H new ATOM 0 HG SER A 92 5.256 6.878 -3.978 1.00 0.00 H new ATOM 467 N ILE A 93 5.334 3.155 -6.500 1.00 0.00 N ATOM 468 CA ILE A 93 5.281 1.821 -7.083 1.00 0.00 C ATOM 469 C ILE A 93 5.844 1.848 -8.501 1.00 0.00 C ATOM 470 O ILE A 93 6.406 0.863 -8.978 1.00 0.00 O ATOM 471 CB ILE A 93 3.832 1.278 -7.117 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.287 1.123 -5.697 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.766 -0.054 -7.856 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.787 0.929 -5.643 1.00 0.00 C ATOM 0 H ILE A 93 4.423 3.550 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 93 5.883 1.161 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 93 3.214 1.997 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.773 0.271 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.552 2.007 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.737 -0.414 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.113 0.081 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.400 -0.782 -7.351 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.471 0.826 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.292 1.792 -6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.516 0.029 -6.196 1.00 0.00 H new ATOM 486 N SER A 94 5.687 2.990 -9.165 1.00 0.00 N ATOM 487 CA SER A 94 6.175 3.157 -10.528 1.00 0.00 C ATOM 488 C SER A 94 7.693 3.292 -10.553 1.00 0.00 C ATOM 489 O SER A 94 8.346 2.858 -11.502 1.00 0.00 O ATOM 490 CB SER A 94 5.529 4.379 -11.181 1.00 0.00 C ATOM 491 OG SER A 94 4.171 4.129 -11.499 1.00 0.00 O ATOM 0 H SER A 94 5.225 3.814 -8.779 1.00 0.00 H new ATOM 0 HA SER A 94 5.900 2.267 -11.094 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.597 5.233 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.075 4.643 -12.087 1.00 0.00 H new ATOM 0 HG SER A 94 3.614 4.856 -11.150 1.00 0.00 H new ATOM 497 N GLN A 95 8.252 3.902 -9.513 1.00 0.00 N ATOM 498 CA GLN A 95 9.697 4.075 -9.428 1.00 0.00 C ATOM 499 C GLN A 95 10.355 2.794 -8.925 1.00 0.00 C ATOM 500 O GLN A 95 11.517 2.520 -9.226 1.00 0.00 O ATOM 501 CB GLN A 95 10.047 5.249 -8.512 1.00 0.00 C ATOM 502 CG GLN A 95 11.430 5.827 -8.767 1.00 0.00 C ATOM 503 CD GLN A 95 11.630 6.240 -10.214 1.00 0.00 C ATOM 504 OE1 GLN A 95 12.113 5.459 -11.034 1.00 0.00 O ATOM 505 NE2 GLN A 95 11.255 7.473 -10.535 1.00 0.00 N ATOM 0 H GLN A 95 7.731 4.282 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 95 10.077 4.294 -10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.304 6.035 -8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.985 4.921 -7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.584 6.692 -8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.184 5.089 -8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.859 8.087 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.363 7.806 -11.493 1.00 0.00 H new ATOM 514 N LYS A 96 9.600 2.011 -8.157 1.00 0.00 N ATOM 515 CA LYS A 96 10.101 0.747 -7.630 1.00 0.00 C ATOM 516 C LYS A 96 10.059 -0.329 -8.704 1.00 0.00 C ATOM 517 O LYS A 96 10.998 -1.111 -8.854 1.00 0.00 O ATOM 518 CB LYS A 96 9.260 0.273 -6.440 1.00 0.00 C ATOM 519 CG LYS A 96 9.411 1.112 -5.186 1.00 0.00 C ATOM 520 CD LYS A 96 9.091 0.295 -3.942 1.00 0.00 C ATOM 521 CE LYS A 96 8.197 1.059 -2.982 1.00 0.00 C ATOM 522 NZ LYS A 96 8.667 2.456 -2.779 1.00 0.00 N ATOM 0 H LYS A 96 8.641 2.230 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 96 11.128 0.914 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.210 0.267 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.532 -0.757 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.429 1.496 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.747 1.975 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.602 -0.634 -4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.018 0.023 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.177 1.071 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.169 0.542 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.292 2.821 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.707 2.472 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.331 3.053 -3.562 1.00 0.00 H new ATOM 536 N LYS A 97 8.957 -0.354 -9.449 1.00 0.00 N ATOM 537 CA LYS A 97 8.751 -1.348 -10.493 1.00 0.00 C ATOM 538 C LYS A 97 8.580 -2.723 -9.864 1.00 0.00 C ATOM 539 O LYS A 97 9.433 -3.600 -10.003 1.00 0.00 O ATOM 540 CB LYS A 97 9.906 -1.347 -11.498 1.00 0.00 C ATOM 541 CG LYS A 97 9.652 -0.458 -12.705 1.00 0.00 C ATOM 542 CD LYS A 97 9.225 -1.268 -13.919 1.00 0.00 C ATOM 543 CE LYS A 97 10.412 -1.968 -14.563 1.00 0.00 C ATOM 544 NZ LYS A 97 10.049 -2.596 -15.864 1.00 0.00 N ATOM 0 H LYS A 97 8.189 0.309 -9.346 1.00 0.00 H new ATOM 0 HA LYS A 97 7.844 -1.093 -11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.815 -1.015 -10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.084 -2.367 -11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.879 0.271 -12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.556 0.103 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.482 -2.008 -13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.748 -0.612 -14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.216 -1.249 -14.719 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.794 -2.732 -13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.885 -3.062 -16.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.299 -3.301 -15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.708 -1.864 -16.520 1.00 0.00 H new ATOM 558 N VAL A 98 7.469 -2.889 -9.154 1.00 0.00 N ATOM 559 CA VAL A 98 7.159 -4.141 -8.479 1.00 0.00 C ATOM 560 C VAL A 98 5.818 -4.695 -8.946 1.00 0.00 C ATOM 561 O VAL A 98 5.101 -4.046 -9.707 1.00 0.00 O ATOM 562 CB VAL A 98 7.121 -3.946 -6.951 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.503 -3.594 -6.424 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.113 -2.870 -6.577 1.00 0.00 C ATOM 0 H VAL A 98 6.763 -2.163 -9.032 1.00 0.00 H new ATOM 0 HA VAL A 98 7.947 -4.851 -8.731 1.00 0.00 H new ATOM 0 HB VAL A 98 6.808 -4.883 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.457 -3.460 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.199 -4.399 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.846 -2.670 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.099 -2.745 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.395 -1.928 -7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.122 -3.165 -6.921 1.00 0.00 H new ATOM 574 N LYS A 99 5.476 -5.892 -8.477 1.00 0.00 N ATOM 575 CA LYS A 99 4.219 -6.528 -8.860 1.00 0.00 C ATOM 576 C LYS A 99 3.088 -6.142 -7.911 1.00 0.00 C ATOM 577 O LYS A 99 2.271 -6.982 -7.532 1.00 0.00 O ATOM 578 CB LYS A 99 4.372 -8.048 -8.883 1.00 0.00 C ATOM 579 CG LYS A 99 5.543 -8.532 -9.719 1.00 0.00 C ATOM 580 CD LYS A 99 5.415 -10.012 -10.038 1.00 0.00 C ATOM 581 CE LYS A 99 6.755 -10.624 -10.407 1.00 0.00 C ATOM 582 NZ LYS A 99 7.774 -10.411 -9.342 1.00 0.00 N ATOM 0 H LYS A 99 6.049 -6.439 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 99 3.966 -6.176 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.494 -8.407 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.454 -8.491 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.593 -7.960 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.475 -8.352 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.000 -10.536 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.714 -10.148 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.630 -11.693 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.109 -10.187 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.490 -11.164 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.232 -9.488 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.312 -10.433 -8.410 1.00 0.00 H new ATOM 596 N ILE A 100 3.041 -4.871 -7.532 1.00 0.00 N ATOM 597 CA ILE A 100 2.001 -4.379 -6.644 1.00 0.00 C ATOM 598 C ILE A 100 1.031 -3.492 -7.412 1.00 0.00 C ATOM 599 O ILE A 100 1.413 -2.447 -7.938 1.00 0.00 O ATOM 600 CB ILE A 100 2.593 -3.589 -5.458 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.521 -4.484 -4.635 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.483 -3.024 -4.580 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.205 -3.761 -3.496 1.00 0.00 C ATOM 0 H ILE A 100 3.713 -4.163 -7.827 1.00 0.00 H new ATOM 0 HA ILE A 100 1.472 -5.245 -6.247 1.00 0.00 H new ATOM 0 HB ILE A 100 3.173 -2.756 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.945 -5.317 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.280 -4.909 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.922 -2.471 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.856 -2.356 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.876 -3.841 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.847 -4.457 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.808 -2.945 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.453 -3.359 -2.816 1.00 0.00 H new ATOM 615 N GLU A 101 -0.220 -3.922 -7.484 1.00 0.00 N ATOM 616 CA GLU A 101 -1.244 -3.168 -8.190 1.00 0.00 C ATOM 617 C GLU A 101 -2.565 -3.225 -7.439 1.00 0.00 C ATOM 618 O GLU A 101 -2.802 -4.136 -6.646 1.00 0.00 O ATOM 619 CB GLU A 101 -1.422 -3.710 -9.608 1.00 0.00 C ATOM 620 CG GLU A 101 -1.560 -5.221 -9.666 1.00 0.00 C ATOM 621 CD GLU A 101 -2.041 -5.709 -11.017 1.00 0.00 C ATOM 622 OE1 GLU A 101 -1.290 -5.562 -12.004 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.171 -6.235 -11.089 1.00 0.00 O ATOM 0 H GLU A 101 -0.550 -4.790 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.923 -2.128 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.306 -3.255 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.568 -3.408 -10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.597 -5.679 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.258 -5.549 -8.896 1.00 0.00 H new ATOM 630 N LEU A 102 -3.425 -2.252 -7.697 1.00 0.00 N ATOM 631 CA LEU A 102 -4.716 -2.187 -7.032 1.00 0.00 C ATOM 632 C LEU A 102 -5.770 -3.019 -7.756 1.00 0.00 C ATOM 633 O LEU A 102 -5.751 -3.148 -8.980 1.00 0.00 O ATOM 634 CB LEU A 102 -5.191 -0.732 -6.932 1.00 0.00 C ATOM 635 CG LEU A 102 -6.630 -0.571 -6.446 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.709 0.348 -5.244 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.530 -0.079 -7.565 1.00 0.00 C ATOM 0 H LEU A 102 -3.252 -1.498 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.586 -2.601 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.529 -0.192 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.096 -0.263 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.984 -1.554 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.747 0.440 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.114 -0.066 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.323 1.332 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.549 0.027 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.172 0.887 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.517 -0.797 -8.385 1.00 0.00 H new ATOM 649 N ASP A 103 -6.681 -3.592 -6.977 1.00 0.00 N ATOM 650 CA ASP A 103 -7.779 -4.375 -7.519 1.00 0.00 C ATOM 651 C ASP A 103 -9.002 -3.478 -7.658 1.00 0.00 C ATOM 652 O ASP A 103 -9.280 -2.665 -6.777 1.00 0.00 O ATOM 653 CB ASP A 103 -8.107 -5.545 -6.598 1.00 0.00 C ATOM 654 CG ASP A 103 -9.163 -6.468 -7.180 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.680 -6.162 -8.275 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.472 -7.496 -6.542 1.00 0.00 O ATOM 0 H ASP A 103 -6.677 -3.526 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.490 -4.771 -8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.199 -6.115 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.454 -5.161 -5.639 1.00 0.00 H new ATOM 661 N LYS A 104 -9.729 -3.619 -8.756 1.00 0.00 N ATOM 662 CA LYS A 104 -10.908 -2.793 -8.991 1.00 0.00 C ATOM 663 C LYS A 104 -12.196 -3.507 -8.578 1.00 0.00 C ATOM 664 O LYS A 104 -13.291 -3.059 -8.918 1.00 0.00 O ATOM 665 CB LYS A 104 -10.986 -2.403 -10.467 1.00 0.00 C ATOM 666 CG LYS A 104 -9.781 -1.618 -10.964 1.00 0.00 C ATOM 667 CD LYS A 104 -9.918 -0.132 -10.671 1.00 0.00 C ATOM 668 CE LYS A 104 -9.316 0.711 -11.784 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.884 0.378 -12.025 1.00 0.00 N ATOM 0 H LYS A 104 -9.527 -4.292 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.810 -1.898 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.090 -3.308 -11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.885 -1.809 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.877 -2.000 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.666 -1.768 -12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.971 0.121 -10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.424 0.101 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.883 0.558 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.404 1.767 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.480 1.053 -12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.359 0.434 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.812 -0.586 -12.409 1.00 0.00 H new ATOM 683 N SER A 105 -12.071 -4.607 -7.839 1.00 0.00 N ATOM 684 CA SER A 105 -13.244 -5.360 -7.401 1.00 0.00 C ATOM 685 C SER A 105 -13.671 -4.947 -5.996 1.00 0.00 C ATOM 686 O SER A 105 -14.834 -5.098 -5.621 1.00 0.00 O ATOM 687 CB SER A 105 -12.958 -6.863 -7.427 1.00 0.00 C ATOM 688 OG SER A 105 -12.428 -7.305 -6.189 1.00 0.00 O ATOM 0 H SER A 105 -11.178 -4.994 -7.533 1.00 0.00 H new ATOM 0 HA SER A 105 -14.056 -5.136 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.877 -7.407 -7.647 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.254 -7.088 -8.228 1.00 0.00 H new ATOM 0 HG SER A 105 -11.457 -7.414 -6.269 1.00 0.00 H new ATOM 694 N ALA A 106 -12.725 -4.425 -5.224 1.00 0.00 N ATOM 695 CA ALA A 106 -12.998 -4.003 -3.856 1.00 0.00 C ATOM 696 C ALA A 106 -13.963 -2.824 -3.808 1.00 0.00 C ATOM 697 O ALA A 106 -14.348 -2.273 -4.840 1.00 0.00 O ATOM 698 CB ALA A 106 -11.698 -3.647 -3.149 1.00 0.00 C ATOM 0 H ALA A 106 -11.760 -4.284 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.473 -4.838 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.913 -3.333 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.044 -4.518 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.205 -2.834 -3.682 1.00 0.00 H new ATOM 704 N ARG A 107 -14.354 -2.450 -2.594 1.00 0.00 N ATOM 705 CA ARG A 107 -15.265 -1.331 -2.381 1.00 0.00 C ATOM 706 C ARG A 107 -14.618 -0.262 -1.503 1.00 0.00 C ATOM 707 O ARG A 107 -15.227 0.772 -1.224 1.00 0.00 O ATOM 708 CB ARG A 107 -16.552 -1.813 -1.711 1.00 0.00 C ATOM 709 CG ARG A 107 -17.232 -2.962 -2.434 1.00 0.00 C ATOM 710 CD ARG A 107 -18.174 -3.718 -1.510 1.00 0.00 C ATOM 711 NE ARG A 107 -17.463 -4.318 -0.383 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.956 -5.301 0.362 1.00 0.00 C ATOM 713 NH1 ARG A 107 -19.159 -5.794 0.104 1.00 0.00 N ATOM 714 NH2 ARG A 107 -17.243 -5.795 1.366 1.00 0.00 N ATOM 0 H ARG A 107 -14.051 -2.910 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.497 -0.901 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.324 -2.123 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -17.249 -0.977 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.789 -2.578 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.478 -3.645 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.940 -3.038 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.687 -4.498 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.535 -3.961 -0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.709 -5.419 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.535 -6.549 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.316 -5.420 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.622 -6.550 1.938 1.00 0.00 H new ATOM 728 N HIS A 108 -13.384 -0.507 -1.068 1.00 0.00 N ATOM 729 CA HIS A 108 -12.690 0.432 -0.206 1.00 0.00 C ATOM 730 C HIS A 108 -11.240 0.627 -0.635 1.00 0.00 C ATOM 731 O HIS A 108 -10.666 -0.210 -1.332 1.00 0.00 O ATOM 732 CB HIS A 108 -12.740 -0.069 1.234 1.00 0.00 C ATOM 733 CG HIS A 108 -12.105 -1.417 1.426 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.783 -1.680 1.136 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.621 -2.581 1.886 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.512 -2.942 1.415 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.610 -3.512 1.870 1.00 0.00 N ATOM 0 H HIS A 108 -12.851 -1.345 -1.300 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.191 1.397 -0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.240 0.654 1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.780 -0.118 1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.639 -2.747 2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.554 -3.425 1.291 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.695 -4.485 2.163 1.00 0.00 H new ATOM 746 N LEU A 109 -10.656 1.742 -0.205 1.00 0.00 N ATOM 747 CA LEU A 109 -9.271 2.060 -0.529 1.00 0.00 C ATOM 748 C LEU A 109 -8.424 2.130 0.740 1.00 0.00 C ATOM 749 O LEU A 109 -7.841 3.166 1.057 1.00 0.00 O ATOM 750 CB LEU A 109 -9.194 3.387 -1.285 1.00 0.00 C ATOM 751 CG LEU A 109 -9.906 3.403 -2.639 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.311 4.821 -3.011 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.015 2.805 -3.718 1.00 0.00 C ATOM 0 H LEU A 109 -11.124 2.442 0.371 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.878 1.268 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.620 4.170 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.145 3.639 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.807 2.795 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.816 4.814 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.985 5.218 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.422 5.449 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.538 2.825 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.096 3.387 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.771 1.775 -3.459 1.00 0.00 H new ATOM 765 N TYR A 110 -8.375 1.018 1.465 1.00 0.00 N ATOM 766 CA TYR A 110 -7.600 0.926 2.695 1.00 0.00 C ATOM 767 C TYR A 110 -6.624 -0.235 2.607 1.00 0.00 C ATOM 768 O TYR A 110 -7.022 -1.379 2.381 1.00 0.00 O ATOM 769 CB TYR A 110 -8.513 0.730 3.909 1.00 0.00 C ATOM 770 CG TYR A 110 -9.552 1.813 4.080 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.211 3.062 4.580 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.874 1.580 3.741 1.00 0.00 C ATOM 773 CE1 TYR A 110 -10.164 4.052 4.733 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.834 2.562 3.890 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.474 3.797 4.385 1.00 0.00 C ATOM 776 OH TYR A 110 -12.427 4.779 4.534 1.00 0.00 O ATOM 0 H TYR A 110 -8.868 0.160 1.218 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.053 1.860 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.018 -0.232 3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.899 0.685 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.186 3.264 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.160 0.613 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.884 5.020 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.861 2.363 3.620 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.298 4.437 4.242 1.00 0.00 H new ATOM 786 N ILE A 111 -5.346 0.061 2.779 1.00 0.00 N ATOM 787 CA ILE A 111 -4.318 -0.964 2.721 1.00 0.00 C ATOM 788 C ILE A 111 -3.830 -1.319 4.117 1.00 0.00 C ATOM 789 O ILE A 111 -4.141 -0.630 5.089 1.00 0.00 O ATOM 790 CB ILE A 111 -3.121 -0.509 1.868 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.526 0.781 2.435 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.546 -0.312 0.421 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.328 1.286 1.661 1.00 0.00 C ATOM 0 H ILE A 111 -4.996 1.002 2.960 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.766 -1.844 2.259 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.356 -1.284 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.295 1.553 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.234 0.612 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.688 0.010 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.929 -1.252 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.326 0.447 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.959 2.203 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.542 0.531 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.619 1.488 0.630 1.00 0.00 H new ATOM 805 N CYS A 112 -3.069 -2.399 4.212 1.00 0.00 N ATOM 806 CA CYS A 112 -2.534 -2.840 5.490 1.00 0.00 C ATOM 807 C CYS A 112 -1.308 -2.018 5.869 1.00 0.00 C ATOM 808 O CYS A 112 -0.569 -1.554 5.001 1.00 0.00 O ATOM 809 CB CYS A 112 -2.171 -4.323 5.426 1.00 0.00 C ATOM 810 SG CYS A 112 -0.971 -4.728 4.139 1.00 0.00 S ATOM 0 H CYS A 112 -2.808 -2.986 3.419 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.299 -2.695 6.253 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.771 -4.631 6.392 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.079 -4.902 5.258 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.207 -5.924 3.686 1.00 0.00 H new ATOM 815 N ASP A 113 -1.101 -1.834 7.167 1.00 0.00 N ATOM 816 CA ASP A 113 0.039 -1.069 7.656 1.00 0.00 C ATOM 817 C ASP A 113 1.332 -1.605 7.049 1.00 0.00 C ATOM 818 O ASP A 113 2.276 -0.855 6.797 1.00 0.00 O ATOM 819 CB ASP A 113 0.105 -1.141 9.183 1.00 0.00 C ATOM 820 CG ASP A 113 0.752 0.085 9.796 1.00 0.00 C ATOM 821 OD1 ASP A 113 1.685 0.637 9.177 1.00 0.00 O ATOM 822 OD2 ASP A 113 0.321 0.494 10.895 1.00 0.00 O ATOM 0 H ASP A 113 -1.707 -2.204 7.899 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.083 -0.028 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.903 -1.253 9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.665 -2.029 9.478 1.00 0.00 H new ATOM 827 N TYR A 114 1.356 -2.912 6.812 1.00 0.00 N ATOM 828 CA TYR A 114 2.517 -3.579 6.234 1.00 0.00 C ATOM 829 C TYR A 114 2.957 -2.899 4.939 1.00 0.00 C ATOM 830 O TYR A 114 4.109 -2.481 4.805 1.00 0.00 O ATOM 831 CB TYR A 114 2.183 -5.050 5.971 1.00 0.00 C ATOM 832 CG TYR A 114 3.304 -5.843 5.336 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.320 -6.390 6.109 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.337 -6.055 3.963 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.338 -7.125 5.532 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.353 -6.788 3.379 1.00 0.00 C ATOM 837 CZ TYR A 114 5.350 -7.321 4.168 1.00 0.00 C ATOM 838 OH TYR A 114 6.361 -8.055 3.590 1.00 0.00 O ATOM 0 H TYR A 114 0.575 -3.536 7.014 1.00 0.00 H new ATOM 0 HA TYR A 114 3.343 -3.513 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.910 -5.522 6.915 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.307 -5.101 5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.314 -6.238 7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.556 -5.640 3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.121 -7.544 6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.366 -6.942 2.310 1.00 0.00 H new ATOM 0 HH TYR A 114 6.220 -8.099 2.621 1.00 0.00 H new ATOM 848 N HIS A 115 2.034 -2.785 3.988 1.00 0.00 N ATOM 849 CA HIS A 115 2.337 -2.165 2.702 1.00 0.00 C ATOM 850 C HIS A 115 2.601 -0.668 2.847 1.00 0.00 C ATOM 851 O HIS A 115 3.447 -0.114 2.146 1.00 0.00 O ATOM 852 CB HIS A 115 1.201 -2.410 1.707 1.00 0.00 C ATOM 853 CG HIS A 115 1.281 -3.747 1.037 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.181 -4.562 0.924 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.345 -4.358 0.462 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.595 -5.643 0.288 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.900 -5.566 -0.013 1.00 0.00 N ATOM 0 H HIS A 115 1.073 -3.113 4.083 1.00 0.00 H new ATOM 0 HA HIS A 115 3.247 -2.628 2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.247 -2.328 2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.217 -1.629 0.947 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.762 -4.371 1.262 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.350 -3.969 0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.037 -6.483 0.041 1.00 0.00 H new ATOM 865 N LYS A 116 1.879 -0.014 3.751 1.00 0.00 N ATOM 866 CA LYS A 116 2.067 1.416 3.969 1.00 0.00 C ATOM 867 C LYS A 116 3.505 1.703 4.381 1.00 0.00 C ATOM 868 O LYS A 116 4.169 2.561 3.804 1.00 0.00 O ATOM 869 CB LYS A 116 1.115 1.935 5.048 1.00 0.00 C ATOM 870 CG LYS A 116 1.252 3.430 5.302 1.00 0.00 C ATOM 871 CD LYS A 116 1.109 3.768 6.779 1.00 0.00 C ATOM 872 CE LYS A 116 2.283 3.242 7.592 1.00 0.00 C ATOM 873 NZ LYS A 116 3.589 3.737 7.074 1.00 0.00 N ATOM 0 H LYS A 116 1.166 -0.445 4.339 1.00 0.00 H new ATOM 0 HA LYS A 116 1.848 1.929 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.089 1.716 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.302 1.397 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.223 3.772 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.494 3.967 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.038 4.849 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.181 3.343 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.168 3.545 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.276 2.152 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 4.350 3.453 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.766 3.330 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.564 4.774 7.003 1.00 0.00 H new ATOM 887 N ASN A 117 3.974 0.971 5.384 1.00 0.00 N ATOM 888 CA ASN A 117 5.329 1.137 5.898 1.00 0.00 C ATOM 889 C ASN A 117 6.368 0.708 4.865 1.00 0.00 C ATOM 890 O ASN A 117 7.449 1.290 4.776 1.00 0.00 O ATOM 891 CB ASN A 117 5.498 0.314 7.178 1.00 0.00 C ATOM 892 CG ASN A 117 6.667 0.778 8.022 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.794 0.313 7.853 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.402 1.696 8.943 1.00 0.00 N ATOM 0 H ASN A 117 3.431 0.251 5.861 1.00 0.00 H new ATOM 0 HA ASN A 117 5.485 2.193 6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.583 0.375 7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.639 -0.734 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.148 2.044 9.546 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.453 2.054 9.048 1.00 0.00 H new ATOM 901 N LEU A 118 6.028 -0.310 4.085 1.00 0.00 N ATOM 902 CA LEU A 118 6.930 -0.837 3.066 1.00 0.00 C ATOM 903 C LEU A 118 7.134 0.152 1.915 1.00 0.00 C ATOM 904 O LEU A 118 8.255 0.357 1.454 1.00 0.00 O ATOM 905 CB LEU A 118 6.372 -2.157 2.524 1.00 0.00 C ATOM 906 CG LEU A 118 7.395 -3.101 1.886 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.783 -4.477 1.670 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.903 -2.535 0.569 1.00 0.00 C ATOM 0 H LEU A 118 5.130 -0.790 4.138 1.00 0.00 H new ATOM 0 HA LEU A 118 7.901 -1.003 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.879 -2.684 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.605 -1.929 1.784 1.00 0.00 H new ATOM 0 HG LEU A 118 8.242 -3.198 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.522 -5.137 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.468 -4.890 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.919 -4.392 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.629 -3.222 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.067 -2.406 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.378 -1.570 0.747 1.00 0.00 H new ATOM 920 N ILE A 119 6.049 0.777 1.472 1.00 0.00 N ATOM 921 CA ILE A 119 6.105 1.710 0.347 1.00 0.00 C ATOM 922 C ILE A 119 6.520 3.124 0.752 1.00 0.00 C ATOM 923 O ILE A 119 7.234 3.799 0.012 1.00 0.00 O ATOM 924 CB ILE A 119 4.741 1.776 -0.364 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.310 0.373 -0.782 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.805 2.704 -1.568 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.942 0.321 -1.426 1.00 0.00 C ATOM 0 H ILE A 119 5.119 0.656 1.873 1.00 0.00 H new ATOM 0 HA ILE A 119 6.871 1.322 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 119 4.001 2.180 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.045 -0.030 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.313 -0.274 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.830 2.736 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.080 3.707 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.551 2.335 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.706 -0.708 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.195 0.693 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.938 0.941 -2.323 1.00 0.00 H new ATOM 939 N GLN A 120 6.077 3.570 1.917 1.00 0.00 N ATOM 940 CA GLN A 120 6.391 4.919 2.382 1.00 0.00 C ATOM 941 C GLN A 120 7.841 5.073 2.831 1.00 0.00 C ATOM 942 O GLN A 120 8.466 6.100 2.573 1.00 0.00 O ATOM 943 CB GLN A 120 5.477 5.306 3.548 1.00 0.00 C ATOM 944 CG GLN A 120 4.192 5.979 3.123 1.00 0.00 C ATOM 945 CD GLN A 120 4.043 7.365 3.721 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.538 8.346 3.167 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.357 7.452 4.854 1.00 0.00 N ATOM 0 H GLN A 120 5.501 3.024 2.558 1.00 0.00 H new ATOM 0 HA GLN A 120 6.231 5.578 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.234 4.410 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.021 5.973 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.164 6.050 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.345 5.363 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.964 6.612 5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.223 8.359 5.301 1.00 0.00 H new ATOM 956 N SER A 121 8.379 4.050 3.481 1.00 0.00 N ATOM 957 CA SER A 121 9.722 4.118 4.032 1.00 0.00 C ATOM 958 C SER A 121 10.847 3.896 3.016 1.00 0.00 C ATOM 959 O SER A 121 12.006 3.753 3.408 1.00 0.00 O ATOM 960 CB SER A 121 9.830 3.114 5.167 1.00 0.00 C ATOM 961 OG SER A 121 9.071 3.537 6.288 1.00 0.00 O ATOM 0 H SER A 121 7.903 3.162 3.639 1.00 0.00 H new ATOM 0 HA SER A 121 9.864 5.139 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.478 2.139 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.875 2.994 5.454 1.00 0.00 H new ATOM 0 HG SER A 121 9.153 2.876 7.007 1.00 0.00 H new