USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 768 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 132 THR OG1 : rot 78:sc= 1.03 USER MOD Set 1.2: B 27 SER OG : rot -104:sc= 1.09 USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -1.92! C(o=-2.6!,f=-2!) USER MOD Set 2.2: A 93 GLN :FLIP amide:sc= -0.118 F(o=-2.8,f=-2) USER MOD Set 3.1: A 74 CYS SG : rot -48:sc= -0.368 USER MOD Set 3.2: A 78 THR OG1 : rot -29:sc= 2.25 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.681) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.743 F(o=-2.9,f=-0.74) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.79) USER MOD Single : A 76 MET CE :methyl -130:sc= -1.2 (180deg=-3.29!) USER MOD Single : A 77 GLN : amide:sc= -3.92! C(o=-3.9!,f=-5.5!) USER MOD Single : A 81 HIS : no HE2:sc= -0.62 K(o=-0.62,f=-6.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-3.8!) USER MOD Single : A 97 SER OG : rot -19:sc= 0.274 USER MOD Single : A 102 SER OG : rot -59:sc= 1.24 USER MOD Single : A 106 CYS SG : rot 120:sc= 0.241 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 110 SER OG : rot -82:sc= 1.21 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 165:sc= -0.0559 (180deg=-0.299) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.531 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.3! C(o=-12!,f=-12!) USER MOD Single : A 131 CYS SG : rot 142:sc= -0.675 USER MOD Single : A 135 LYS NZ :NH3+ 177:sc= 1.59 (180deg=1.53) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 83:sc= -2.26! USER MOD Single : B 29 SER OG : rot -39:sc= 1.09 USER MOD Single : B 33 GLN : amide:sc= 0.383 X(o=0.38,f=-0.031) USER MOD Single : B 34 TYR OH : rot 23:sc= 0.396 USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.065 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.750 5.839 -0.091 1.00 0.57 N ATOM 118 CA TYR A 59 -13.525 6.622 -0.116 1.00 0.44 C ATOM 119 C TYR A 59 -12.746 6.321 -1.380 1.00 0.41 C ATOM 120 O TYR A 59 -11.571 6.657 -1.486 1.00 0.42 O ATOM 121 CB TYR A 59 -12.679 6.330 1.126 1.00 0.66 C ATOM 122 CG TYR A 59 -13.168 7.034 2.363 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.302 6.599 3.011 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.490 8.123 2.885 1.00 1.06 C ATOM 125 CE1 TYR A 59 -14.758 7.229 4.153 1.00 1.27 C ATOM 126 CE2 TYR A 59 -12.935 8.762 4.025 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.070 8.309 4.656 1.00 1.34 C ATOM 128 OH TYR A 59 -14.515 8.935 5.797 1.00 1.64 O ATOM 0 HA TYR A 59 -13.781 7.681 -0.109 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.673 5.255 1.307 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.648 6.627 0.932 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.844 5.751 2.620 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -11.598 8.479 2.392 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -15.650 6.875 4.648 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -12.396 9.611 4.418 1.00 1.30 H new ATOM 0 HH TYR A 59 -13.915 9.678 6.018 1.00 1.64 H new ATOM 138 N LYS A 60 -13.442 5.706 -2.338 1.00 0.42 N ATOM 139 CA LYS A 60 -12.859 5.257 -3.604 1.00 0.43 C ATOM 140 C LYS A 60 -11.969 6.334 -4.229 1.00 0.40 C ATOM 141 O LYS A 60 -10.796 6.093 -4.504 1.00 0.41 O ATOM 142 CB LYS A 60 -13.999 4.855 -4.557 1.00 0.52 C ATOM 143 CG LYS A 60 -13.563 4.386 -5.942 1.00 1.16 C ATOM 144 CD LYS A 60 -13.371 5.556 -6.894 1.00 1.35 C ATOM 145 CE LYS A 60 -13.112 5.096 -8.315 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.811 6.243 -9.212 1.00 2.29 N ATOM 0 H LYS A 60 -14.438 5.503 -2.256 1.00 0.42 H new ATOM 0 HA LYS A 60 -12.218 4.395 -3.417 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.577 4.059 -4.088 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -14.668 5.707 -4.675 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.632 3.826 -5.861 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -14.310 3.705 -6.348 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.258 6.189 -6.874 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -12.536 6.167 -6.553 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -12.277 4.396 -8.325 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.983 4.559 -8.689 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -12.411 5.890 -10.105 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -13.686 6.769 -9.409 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.125 6.874 -8.751 1.00 2.29 H new ATOM 160 N LEU A 61 -12.536 7.520 -4.428 1.00 0.45 N ATOM 161 CA LEU A 61 -11.818 8.636 -5.042 1.00 0.49 C ATOM 162 C LEU A 61 -10.548 8.976 -4.265 1.00 0.38 C ATOM 163 O LEU A 61 -9.484 9.199 -4.847 1.00 0.41 O ATOM 164 CB LEU A 61 -12.717 9.878 -5.116 1.00 0.62 C ATOM 165 CG LEU A 61 -13.232 10.419 -3.771 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.597 11.888 -3.897 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.436 9.627 -3.276 1.00 0.81 C ATOM 0 H LEU A 61 -13.499 7.736 -4.171 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.538 8.329 -6.049 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -12.164 10.673 -5.617 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.577 9.643 -5.744 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.430 10.309 -3.042 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.960 12.256 -2.937 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.717 12.457 -4.195 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.377 12.006 -4.649 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.774 10.036 -2.324 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.242 9.695 -4.007 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.155 8.582 -3.143 1.00 0.81 H new ATOM 179 N GLU A 62 -10.680 9.014 -2.948 1.00 0.33 N ATOM 180 CA GLU A 62 -9.594 9.376 -2.060 1.00 0.30 C ATOM 181 C GLU A 62 -8.386 8.466 -2.197 1.00 0.26 C ATOM 182 O GLU A 62 -7.282 8.951 -2.430 1.00 0.32 O ATOM 183 CB GLU A 62 -10.095 9.384 -0.620 1.00 0.41 C ATOM 184 CG GLU A 62 -10.754 10.689 -0.240 1.00 0.50 C ATOM 185 CD GLU A 62 -11.170 10.736 1.212 1.00 1.29 C ATOM 186 OE1 GLU A 62 -10.295 10.569 2.089 1.00 1.51 O ATOM 187 OE2 GLU A 62 -12.372 10.928 1.485 1.00 2.00 O ATOM 0 H GLU A 62 -11.551 8.792 -2.465 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.260 10.374 -2.345 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.806 8.569 -0.482 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.258 9.195 0.053 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.066 11.510 -0.443 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.630 10.845 -0.869 1.00 0.50 H new ATOM 194 N ASN A 63 -8.582 7.160 -2.083 1.00 0.24 N ATOM 195 CA ASN A 63 -7.446 6.238 -2.047 1.00 0.23 C ATOM 196 C ASN A 63 -6.736 6.145 -3.393 1.00 0.21 C ATOM 197 O ASN A 63 -5.565 5.774 -3.441 1.00 0.22 O ATOM 198 CB ASN A 63 -7.843 4.841 -1.556 1.00 0.33 C ATOM 199 CG ASN A 63 -9.056 4.267 -2.245 1.00 1.10 C ATOM 200 OD1 ASN A 63 -10.195 4.405 -1.601 1.00 2.24 O flip ATOM 201 ND2 ASN A 63 -8.967 3.679 -3.320 1.00 0.90 N flip ATOM 0 H ASN A 63 -9.498 6.717 -2.015 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.746 6.659 -1.325 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -7.001 4.164 -1.702 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.035 4.885 -0.484 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -8.062 3.597 -3.783 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.798 3.273 -3.750 1.00 0.90 H new ATOM 208 N GLU A 64 -7.421 6.494 -4.476 1.00 0.23 N ATOM 209 CA GLU A 64 -6.808 6.527 -5.771 1.00 0.29 C ATOM 210 C GLU A 64 -5.693 7.546 -5.816 1.00 0.29 C ATOM 211 O GLU A 64 -4.538 7.240 -6.119 1.00 0.35 O ATOM 212 CB GLU A 64 -7.862 6.911 -6.773 1.00 0.38 C ATOM 213 CG GLU A 64 -8.849 5.820 -6.993 1.00 0.41 C ATOM 214 CD GLU A 64 -9.818 6.111 -8.121 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.459 7.187 -8.110 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.951 5.265 -9.030 1.00 0.88 O ATOM 0 H GLU A 64 -8.406 6.757 -4.468 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.386 5.547 -5.995 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.381 7.805 -6.428 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.386 7.165 -7.720 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.316 4.895 -7.210 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.411 5.656 -6.073 1.00 0.41 H new ATOM 223 N LYS A 65 -6.067 8.754 -5.472 1.00 0.27 N ATOM 224 CA LYS A 65 -5.151 9.889 -5.478 1.00 0.30 C ATOM 225 C LYS A 65 -4.196 9.797 -4.303 1.00 0.23 C ATOM 226 O LYS A 65 -3.097 10.350 -4.321 1.00 0.30 O ATOM 227 CB LYS A 65 -5.946 11.179 -5.414 1.00 0.39 C ATOM 228 CG LYS A 65 -7.163 11.154 -6.306 1.00 0.65 C ATOM 229 CD LYS A 65 -8.026 12.385 -6.127 1.00 1.23 C ATOM 230 CE LYS A 65 -9.283 12.293 -6.969 1.00 2.14 C ATOM 231 NZ LYS A 65 -10.129 13.505 -6.836 1.00 2.98 N ATOM 0 H LYS A 65 -7.015 8.988 -5.178 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.566 9.876 -6.397 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.258 11.359 -4.385 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.305 12.012 -5.703 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.848 11.081 -7.347 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.753 10.264 -6.089 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.295 12.496 -5.076 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.461 13.274 -6.407 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -9.010 12.154 -8.015 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -9.857 11.416 -6.670 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -10.978 13.402 -7.427 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -10.411 13.624 -5.842 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -9.591 14.340 -7.145 1.00 2.98 H new ATOM 245 N LEU A 66 -4.642 9.100 -3.280 1.00 0.16 N ATOM 246 CA LEU A 66 -3.855 8.863 -2.089 1.00 0.15 C ATOM 247 C LEU A 66 -2.694 7.914 -2.345 1.00 0.15 C ATOM 248 O LEU A 66 -1.541 8.244 -2.071 1.00 0.18 O ATOM 249 CB LEU A 66 -4.765 8.280 -1.027 1.00 0.15 C ATOM 250 CG LEU A 66 -4.908 9.134 0.204 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.140 8.729 0.995 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.646 9.000 1.023 1.00 0.22 C ATOM 0 H LEU A 66 -5.570 8.678 -3.252 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.427 9.811 -1.763 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.752 8.119 -1.460 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.382 7.302 -0.734 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.043 10.179 -0.074 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.226 9.358 1.881 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.028 8.853 0.375 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.051 7.686 1.298 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.729 9.612 1.921 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.505 7.957 1.306 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.792 9.334 0.433 1.00 0.22 H new ATOM 264 N PHE A 67 -3.014 6.729 -2.846 1.00 0.14 N ATOM 265 CA PHE A 67 -2.021 5.701 -3.112 1.00 0.15 C ATOM 266 C PHE A 67 -0.864 6.246 -3.941 1.00 0.17 C ATOM 267 O PHE A 67 0.302 5.971 -3.657 1.00 0.20 O ATOM 268 CB PHE A 67 -2.670 4.521 -3.835 1.00 0.15 C ATOM 269 CG PHE A 67 -1.984 3.228 -3.549 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.863 2.840 -4.256 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.460 2.413 -2.547 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.227 1.651 -3.966 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.830 1.227 -2.247 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.711 0.843 -2.958 1.00 0.19 C ATOM 0 H PHE A 67 -3.968 6.455 -3.079 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.621 5.365 -2.155 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.716 4.447 -3.537 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.657 4.706 -4.909 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.481 3.473 -5.043 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.337 2.708 -1.990 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.647 1.353 -4.526 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.211 0.597 -1.456 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.215 -0.088 -2.726 1.00 0.19 H new ATOM 284 N GLU A 68 -1.187 7.037 -4.954 1.00 0.18 N ATOM 285 CA GLU A 68 -0.170 7.585 -5.828 1.00 0.23 C ATOM 286 C GLU A 68 0.713 8.611 -5.109 1.00 0.19 C ATOM 287 O GLU A 68 1.881 8.750 -5.458 1.00 0.24 O ATOM 288 CB GLU A 68 -0.792 8.180 -7.093 1.00 0.40 C ATOM 289 CG GLU A 68 -1.949 9.107 -6.826 1.00 0.54 C ATOM 290 CD GLU A 68 -2.492 9.746 -8.086 1.00 1.13 C ATOM 291 OE1 GLU A 68 -3.217 9.058 -8.834 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.197 10.932 -8.338 1.00 1.81 O ATOM 0 H GLU A 68 -2.142 7.310 -5.187 1.00 0.18 H new ATOM 0 HA GLU A 68 0.476 6.760 -6.126 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -0.024 8.723 -7.643 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.131 7.368 -7.736 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.747 8.552 -6.333 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.631 9.888 -6.136 1.00 0.54 H new ATOM 299 N GLU A 69 0.192 9.297 -4.083 1.00 0.19 N ATOM 300 CA GLU A 69 1.007 10.267 -3.352 1.00 0.22 C ATOM 301 C GLU A 69 2.184 9.572 -2.685 1.00 0.20 C ATOM 302 O GLU A 69 3.300 10.099 -2.639 1.00 0.28 O ATOM 303 CB GLU A 69 0.192 11.019 -2.305 1.00 0.26 C ATOM 304 CG GLU A 69 -0.782 12.004 -2.903 1.00 0.34 C ATOM 305 CD GLU A 69 -1.017 13.206 -2.013 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.806 13.087 -1.050 1.00 1.78 O ATOM 307 OE2 GLU A 69 -0.427 14.274 -2.268 1.00 1.31 O ATOM 0 H GLU A 69 -0.767 9.200 -3.749 1.00 0.19 H new ATOM 0 HA GLU A 69 1.375 10.993 -4.076 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.356 10.300 -1.696 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.871 11.549 -1.638 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.405 12.340 -3.869 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.732 11.503 -3.088 1.00 0.34 H new ATOM 314 N PHE A 70 1.920 8.378 -2.178 1.00 0.15 N ATOM 315 CA PHE A 70 2.943 7.545 -1.568 1.00 0.13 C ATOM 316 C PHE A 70 3.979 7.150 -2.610 1.00 0.13 C ATOM 317 O PHE A 70 5.178 7.184 -2.356 1.00 0.14 O ATOM 318 CB PHE A 70 2.278 6.307 -0.971 1.00 0.12 C ATOM 319 CG PHE A 70 3.157 5.499 -0.063 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.337 4.963 -0.526 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.774 5.244 1.238 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.129 4.187 0.287 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.563 4.473 2.067 1.00 0.11 C ATOM 324 CZ PHE A 70 4.743 3.940 1.589 1.00 0.11 C ATOM 0 H PHE A 70 0.990 7.959 -2.178 1.00 0.15 H new ATOM 0 HA PHE A 70 3.451 8.096 -0.777 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.394 6.619 -0.415 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.934 5.668 -1.784 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.645 5.155 -1.543 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.847 5.652 1.611 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.051 3.772 -0.092 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.258 4.287 3.086 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.362 3.332 2.232 1.00 0.11 H new ATOM 334 N LEU A 71 3.505 6.802 -3.790 1.00 0.14 N ATOM 335 CA LEU A 71 4.359 6.328 -4.857 1.00 0.15 C ATOM 336 C LEU A 71 5.214 7.431 -5.425 1.00 0.16 C ATOM 337 O LEU A 71 6.380 7.229 -5.745 1.00 0.18 O ATOM 338 CB LEU A 71 3.486 5.751 -5.936 1.00 0.17 C ATOM 339 CG LEU A 71 2.782 4.488 -5.515 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.892 3.998 -6.621 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.820 3.459 -5.141 1.00 0.16 C ATOM 0 H LEU A 71 2.516 6.841 -4.035 1.00 0.14 H new ATOM 0 HA LEU A 71 5.035 5.572 -4.457 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.743 6.493 -6.230 1.00 0.17 H new ATOM 0 HB3 LEU A 71 4.095 5.544 -6.816 1.00 0.17 H new ATOM 0 HG LEU A 71 2.148 4.679 -4.649 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.388 3.084 -6.305 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.148 4.760 -6.854 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.492 3.793 -7.507 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.325 2.538 -4.834 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.459 3.258 -6.001 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.427 3.837 -4.318 1.00 0.16 H new ATOM 353 N GLU A 72 4.618 8.587 -5.561 1.00 0.16 N ATOM 354 CA GLU A 72 5.316 9.750 -6.048 1.00 0.19 C ATOM 355 C GLU A 72 6.400 10.162 -5.068 1.00 0.18 C ATOM 356 O GLU A 72 7.440 10.691 -5.456 1.00 0.21 O ATOM 357 CB GLU A 72 4.306 10.844 -6.324 1.00 0.24 C ATOM 358 CG GLU A 72 3.349 10.432 -7.431 1.00 0.29 C ATOM 359 CD GLU A 72 4.031 10.414 -8.784 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.620 11.441 -9.177 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.967 9.372 -9.467 1.00 1.17 O ATOM 0 H GLU A 72 3.636 8.750 -5.338 1.00 0.16 H new ATOM 0 HA GLU A 72 5.828 9.531 -6.985 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.745 11.064 -5.416 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.824 11.760 -6.608 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.946 9.443 -7.214 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.505 11.122 -7.458 1.00 0.29 H new ATOM 368 N LEU A 73 6.149 9.898 -3.797 1.00 0.16 N ATOM 369 CA LEU A 73 7.169 10.006 -2.778 1.00 0.16 C ATOM 370 C LEU A 73 8.176 8.871 -2.927 1.00 0.15 C ATOM 371 O LEU A 73 9.383 9.083 -2.823 1.00 0.18 O ATOM 372 CB LEU A 73 6.512 9.936 -1.405 1.00 0.16 C ATOM 373 CG LEU A 73 7.455 9.641 -0.250 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.887 10.921 0.438 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.782 8.687 0.716 1.00 0.16 C ATOM 0 H LEU A 73 5.237 9.605 -3.448 1.00 0.16 H new ATOM 0 HA LEU A 73 7.692 10.956 -2.886 1.00 0.16 H new ATOM 0 HB2 LEU A 73 6.011 10.884 -1.211 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.740 9.167 -1.428 1.00 0.16 H new ATOM 0 HG LEU A 73 8.358 9.167 -0.634 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.561 10.682 1.261 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.401 11.563 -0.277 1.00 0.23 H new ATOM 0 HD13 LEU A 73 7.010 11.439 0.826 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.456 8.474 1.546 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.868 9.141 1.099 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.537 7.759 0.200 1.00 0.16 H new ATOM 387 N CYS A 74 7.670 7.664 -3.177 1.00 0.13 N ATOM 388 CA CYS A 74 8.508 6.486 -3.308 1.00 0.13 C ATOM 389 C CYS A 74 9.505 6.655 -4.454 1.00 0.15 C ATOM 390 O CYS A 74 10.645 6.225 -4.351 1.00 0.18 O ATOM 391 CB CYS A 74 7.635 5.251 -3.526 1.00 0.16 C ATOM 392 SG CYS A 74 8.494 3.680 -3.311 1.00 0.50 S ATOM 0 H CYS A 74 6.673 7.482 -3.293 1.00 0.13 H new ATOM 0 HA CYS A 74 9.077 6.355 -2.388 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.795 5.289 -2.833 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.220 5.289 -4.533 1.00 0.16 H new ATOM 0 HG CYS A 74 9.610 3.701 -3.977 1.00 0.50 H new ATOM 398 N LYS A 75 9.072 7.308 -5.534 1.00 0.18 N ATOM 399 CA LYS A 75 9.949 7.634 -6.646 1.00 0.22 C ATOM 400 C LYS A 75 11.171 8.432 -6.201 1.00 0.22 C ATOM 401 O LYS A 75 12.213 8.405 -6.853 1.00 0.26 O ATOM 402 CB LYS A 75 9.197 8.432 -7.692 1.00 0.28 C ATOM 403 CG LYS A 75 8.922 7.604 -8.913 1.00 0.57 C ATOM 404 CD LYS A 75 7.713 6.716 -8.729 1.00 0.61 C ATOM 405 CE LYS A 75 6.408 7.490 -8.855 1.00 0.38 C ATOM 406 NZ LYS A 75 6.202 8.053 -10.216 1.00 0.96 N ATOM 0 H LYS A 75 8.109 7.621 -5.657 1.00 0.18 H new ATOM 0 HA LYS A 75 10.291 6.688 -7.066 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.257 8.790 -7.273 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.778 9.312 -7.969 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.764 8.260 -9.769 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.793 6.989 -9.139 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.734 5.918 -9.471 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.759 6.241 -7.749 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.575 6.831 -8.609 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.400 8.300 -8.126 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.227 8.405 -10.302 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.868 8.836 -10.372 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.366 7.312 -10.927 1.00 0.96 H new ATOM 420 N MET A 76 11.037 9.141 -5.088 1.00 0.22 N ATOM 421 CA MET A 76 12.105 9.990 -4.595 1.00 0.26 C ATOM 422 C MET A 76 12.965 9.201 -3.632 1.00 0.25 C ATOM 423 O MET A 76 14.189 9.302 -3.623 1.00 0.32 O ATOM 424 CB MET A 76 11.545 11.217 -3.866 1.00 0.29 C ATOM 425 CG MET A 76 10.407 11.913 -4.585 1.00 0.27 C ATOM 426 SD MET A 76 9.999 13.508 -3.850 1.00 0.32 S ATOM 427 CE MET A 76 9.507 13.009 -2.200 1.00 0.35 C ATOM 0 H MET A 76 10.196 9.143 -4.511 1.00 0.22 H new ATOM 0 HA MET A 76 12.694 10.328 -5.448 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.200 10.910 -2.879 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.353 11.933 -3.713 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.677 12.057 -5.631 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.525 11.273 -4.568 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.546 13.461 -1.954 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.418 11.923 -2.160 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.257 13.338 -1.481 1.00 0.35 H new ATOM 437 N GLN A 77 12.296 8.400 -2.829 1.00 0.21 N ATOM 438 CA GLN A 77 12.940 7.653 -1.771 1.00 0.22 C ATOM 439 C GLN A 77 13.642 6.424 -2.328 1.00 0.21 C ATOM 440 O GLN A 77 14.855 6.268 -2.193 1.00 0.24 O ATOM 441 CB GLN A 77 11.890 7.215 -0.759 1.00 0.23 C ATOM 442 CG GLN A 77 10.945 8.314 -0.297 1.00 0.30 C ATOM 443 CD GLN A 77 11.600 9.375 0.558 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.779 9.691 0.403 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.829 9.926 1.479 1.00 0.48 N ATOM 0 H GLN A 77 11.289 8.249 -2.892 1.00 0.21 H new ATOM 0 HA GLN A 77 13.683 8.292 -1.293 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.300 6.409 -1.196 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.397 6.802 0.113 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.504 8.790 -1.173 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.128 7.863 0.266 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.856 9.633 1.572 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.206 10.644 2.097 1.00 0.48 H new ATOM 454 N THR A 78 12.870 5.562 -2.973 1.00 0.18 N ATOM 455 CA THR A 78 13.396 4.347 -3.559 1.00 0.20 C ATOM 456 C THR A 78 13.862 4.633 -4.977 1.00 0.22 C ATOM 457 O THR A 78 13.589 3.879 -5.906 1.00 0.24 O ATOM 458 CB THR A 78 12.332 3.230 -3.569 1.00 0.20 C ATOM 459 OG1 THR A 78 11.263 3.564 -4.467 1.00 0.56 O ATOM 460 CG2 THR A 78 11.764 3.028 -2.176 1.00 0.42 C ATOM 0 H THR A 78 11.866 5.688 -3.102 1.00 0.18 H new ATOM 0 HA THR A 78 14.237 4.005 -2.956 1.00 0.20 H new ATOM 0 HB THR A 78 12.812 2.310 -3.903 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.173 4.538 -4.520 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.015 2.237 -2.200 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.566 2.748 -1.493 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.303 3.954 -1.833 1.00 0.42 H new ATOM 468 N ALA A 79 14.561 5.743 -5.129 1.00 0.25 N ATOM 469 CA ALA A 79 15.061 6.166 -6.420 1.00 0.30 C ATOM 470 C ALA A 79 16.132 5.207 -6.920 1.00 0.34 C ATOM 471 O ALA A 79 16.379 5.095 -8.119 1.00 0.42 O ATOM 472 CB ALA A 79 15.598 7.578 -6.314 1.00 0.32 C ATOM 0 H ALA A 79 14.796 6.373 -4.362 1.00 0.25 H new ATOM 0 HA ALA A 79 14.246 6.154 -7.144 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.975 7.898 -7.285 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.799 8.248 -5.996 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.407 7.606 -5.584 1.00 0.32 H new ATOM 478 N ASP A 80 16.766 4.519 -5.983 1.00 0.35 N ATOM 479 CA ASP A 80 17.764 3.506 -6.304 1.00 0.44 C ATOM 480 C ASP A 80 17.123 2.125 -6.420 1.00 0.38 C ATOM 481 O ASP A 80 17.787 1.150 -6.764 1.00 0.44 O ATOM 482 CB ASP A 80 18.869 3.486 -5.246 1.00 0.59 C ATOM 483 CG ASP A 80 18.327 3.375 -3.835 1.00 1.31 C ATOM 484 OD1 ASP A 80 18.086 2.239 -3.378 1.00 1.68 O ATOM 485 OD2 ASP A 80 18.136 4.417 -3.181 1.00 2.29 O ATOM 0 H ASP A 80 16.606 4.645 -4.984 1.00 0.35 H new ATOM 0 HA ASP A 80 18.205 3.763 -7.267 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.538 2.647 -5.441 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.464 4.395 -5.331 1.00 0.59 H new ATOM 490 N HIS A 81 15.831 2.044 -6.130 1.00 0.35 N ATOM 491 CA HIS A 81 15.082 0.799 -6.283 1.00 0.39 C ATOM 492 C HIS A 81 13.684 1.079 -6.814 1.00 0.34 C ATOM 493 O HIS A 81 12.709 1.004 -6.067 1.00 0.30 O ATOM 494 CB HIS A 81 14.963 0.033 -4.960 1.00 0.49 C ATOM 495 CG HIS A 81 16.154 -0.809 -4.619 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.354 -2.073 -5.132 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.201 -0.572 -3.798 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.471 -2.571 -4.641 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.006 -1.682 -3.828 1.00 1.12 N ATOM 0 H HIS A 81 15.276 2.828 -5.786 1.00 0.35 H new ATOM 0 HA HIS A 81 15.636 0.184 -6.992 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.797 0.748 -4.154 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.082 -0.607 -5.004 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.735 -2.548 -5.789 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.372 0.326 -3.224 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.880 -3.545 -4.867 1.00 2.11 H new ATOM 508 N PRO A 82 13.558 1.397 -8.113 1.00 0.39 N ATOM 509 CA PRO A 82 12.263 1.686 -8.740 1.00 0.39 C ATOM 510 C PRO A 82 11.404 0.430 -8.917 1.00 0.35 C ATOM 511 O PRO A 82 10.580 0.349 -9.822 1.00 0.39 O ATOM 512 CB PRO A 82 12.660 2.266 -10.095 1.00 0.50 C ATOM 513 CG PRO A 82 13.973 1.648 -10.398 1.00 0.53 C ATOM 514 CD PRO A 82 14.668 1.515 -9.079 1.00 0.48 C ATOM 0 HA PRO A 82 11.652 2.355 -8.135 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.923 2.025 -10.861 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.734 3.353 -10.055 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.848 0.676 -10.875 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.549 2.268 -11.084 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.316 0.639 -9.054 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.294 2.381 -8.866 1.00 0.48 H new ATOM 522 N GLU A 83 11.626 -0.551 -8.054 1.00 0.29 N ATOM 523 CA GLU A 83 10.854 -1.784 -8.048 1.00 0.26 C ATOM 524 C GLU A 83 9.645 -1.644 -7.123 1.00 0.19 C ATOM 525 O GLU A 83 8.584 -2.214 -7.371 1.00 0.22 O ATOM 526 CB GLU A 83 11.742 -2.934 -7.578 1.00 0.33 C ATOM 527 CG GLU A 83 13.067 -3.004 -8.318 1.00 0.49 C ATOM 528 CD GLU A 83 14.065 -3.920 -7.645 1.00 1.32 C ATOM 529 OE1 GLU A 83 14.749 -3.466 -6.704 1.00 2.05 O ATOM 530 OE2 GLU A 83 14.181 -5.091 -8.065 1.00 1.72 O ATOM 0 H GLU A 83 12.349 -0.513 -7.336 1.00 0.29 H new ATOM 0 HA GLU A 83 10.497 -1.991 -9.057 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.934 -2.824 -6.511 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.208 -3.875 -7.711 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.892 -3.351 -9.336 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.491 -2.002 -8.391 1.00 0.49 H new ATOM 537 N VAL A 84 9.837 -0.877 -6.052 1.00 0.15 N ATOM 538 CA VAL A 84 8.816 -0.658 -5.029 1.00 0.11 C ATOM 539 C VAL A 84 7.522 -0.085 -5.607 1.00 0.11 C ATOM 540 O VAL A 84 6.442 -0.647 -5.439 1.00 0.13 O ATOM 541 CB VAL A 84 9.317 0.355 -3.994 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.365 0.394 -2.829 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.737 0.051 -3.543 1.00 0.14 C ATOM 0 H VAL A 84 10.712 -0.386 -5.868 1.00 0.15 H new ATOM 0 HA VAL A 84 8.619 -1.634 -4.586 1.00 0.11 H new ATOM 0 HB VAL A 84 9.347 1.340 -4.460 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.721 1.114 -2.092 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.376 0.690 -3.177 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.308 -0.594 -2.372 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.053 0.793 -2.810 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.771 -0.941 -3.093 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.406 0.083 -4.403 1.00 0.14 H new ATOM 553 N VAL A 85 7.663 1.053 -6.271 1.00 0.11 N ATOM 554 CA VAL A 85 6.537 1.802 -6.833 1.00 0.13 C ATOM 555 C VAL A 85 5.652 0.930 -7.734 1.00 0.15 C ATOM 556 O VAL A 85 4.452 0.823 -7.489 1.00 0.16 O ATOM 557 CB VAL A 85 7.048 3.040 -7.604 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.911 3.960 -7.990 1.00 0.18 C ATOM 559 CG2 VAL A 85 8.076 3.786 -6.774 1.00 0.15 C ATOM 0 H VAL A 85 8.569 1.491 -6.439 1.00 0.11 H new ATOM 0 HA VAL A 85 5.917 2.132 -6.000 1.00 0.13 H new ATOM 0 HB VAL A 85 7.519 2.693 -8.524 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.306 4.820 -8.531 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.208 3.423 -8.627 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.398 4.301 -7.091 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.429 4.656 -7.328 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.621 4.111 -5.838 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.917 3.127 -6.559 1.00 0.15 H new ATOM 569 N PRO A 86 6.214 0.287 -8.785 1.00 0.17 N ATOM 570 CA PRO A 86 5.449 -0.630 -9.641 1.00 0.20 C ATOM 571 C PRO A 86 4.807 -1.765 -8.849 1.00 0.18 C ATOM 572 O PRO A 86 3.706 -2.204 -9.171 1.00 0.20 O ATOM 573 CB PRO A 86 6.491 -1.185 -10.609 1.00 0.23 C ATOM 574 CG PRO A 86 7.572 -0.167 -10.627 1.00 0.22 C ATOM 575 CD PRO A 86 7.607 0.423 -9.247 1.00 0.17 C ATOM 0 HA PRO A 86 4.622 -0.119 -10.135 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.865 -2.153 -10.276 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.069 -1.332 -11.603 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.530 -0.620 -10.882 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.373 0.601 -11.375 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.300 -0.112 -8.598 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.926 1.465 -9.263 1.00 0.17 H new ATOM 583 N PHE A 87 5.501 -2.230 -7.814 1.00 0.16 N ATOM 584 CA PHE A 87 4.971 -3.279 -6.949 1.00 0.15 C ATOM 585 C PHE A 87 3.695 -2.786 -6.273 1.00 0.14 C ATOM 586 O PHE A 87 2.644 -3.425 -6.372 1.00 0.16 O ATOM 587 CB PHE A 87 6.017 -3.681 -5.895 1.00 0.17 C ATOM 588 CG PHE A 87 5.688 -4.931 -5.116 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.448 -5.543 -5.220 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.635 -5.498 -4.278 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.159 -6.689 -4.507 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.353 -6.642 -3.562 1.00 0.25 C ATOM 593 CZ PHE A 87 5.114 -7.241 -3.677 1.00 0.38 C ATOM 0 H PHE A 87 6.430 -1.898 -7.554 1.00 0.16 H new ATOM 0 HA PHE A 87 4.738 -4.157 -7.551 1.00 0.15 H new ATOM 0 HB2 PHE A 87 6.976 -3.823 -6.392 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.140 -2.856 -5.194 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.697 -5.117 -5.869 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.607 -5.037 -4.185 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.188 -7.153 -4.598 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.101 -7.070 -2.911 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.893 -8.139 -3.119 1.00 0.38 H new ATOM 603 N LEU A 88 3.787 -1.640 -5.608 1.00 0.12 N ATOM 604 CA LEU A 88 2.636 -1.056 -4.938 1.00 0.13 C ATOM 605 C LEU A 88 1.514 -0.774 -5.929 1.00 0.14 C ATOM 606 O LEU A 88 0.347 -1.041 -5.643 1.00 0.16 O ATOM 607 CB LEU A 88 3.032 0.225 -4.210 1.00 0.13 C ATOM 608 CG LEU A 88 3.993 0.039 -3.041 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.054 1.319 -2.223 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.556 -1.145 -2.189 1.00 0.20 C ATOM 0 H LEU A 88 4.647 -1.099 -5.520 1.00 0.12 H new ATOM 0 HA LEU A 88 2.273 -1.776 -4.205 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.488 0.906 -4.929 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.127 0.709 -3.842 1.00 0.13 H new ATOM 0 HG LEU A 88 4.993 -0.174 -3.418 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.741 1.185 -1.388 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.404 2.137 -2.853 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.061 1.554 -1.841 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.249 -1.270 -1.357 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.553 -0.965 -1.802 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.553 -2.050 -2.797 1.00 0.20 H new ATOM 622 N TYR A 89 1.878 -0.250 -7.098 1.00 0.16 N ATOM 623 CA TYR A 89 0.900 -0.010 -8.158 1.00 0.20 C ATOM 624 C TYR A 89 0.166 -1.296 -8.487 1.00 0.21 C ATOM 625 O TYR A 89 -1.064 -1.355 -8.488 1.00 0.25 O ATOM 626 CB TYR A 89 1.567 0.473 -9.453 1.00 0.22 C ATOM 627 CG TYR A 89 1.685 1.968 -9.611 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.557 2.760 -9.780 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.927 2.581 -9.616 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.666 4.128 -9.946 1.00 0.42 C ATOM 631 CE2 TYR A 89 3.046 3.945 -9.783 1.00 0.37 C ATOM 632 CZ TYR A 89 1.914 4.714 -9.947 1.00 0.43 C ATOM 633 OH TYR A 89 2.034 6.074 -10.118 1.00 0.54 O ATOM 0 H TYR A 89 2.834 0.015 -7.334 1.00 0.16 H new ATOM 0 HA TYR A 89 0.219 0.757 -7.789 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.566 0.041 -9.508 1.00 0.22 H new ATOM 0 HB3 TYR A 89 1.002 0.080 -10.299 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.420 2.300 -9.782 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.816 1.982 -9.487 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.219 4.733 -10.074 1.00 0.42 H new ATOM 0 HE2 TYR A 89 4.022 4.408 -9.785 1.00 0.37 H new ATOM 0 HH TYR A 89 2.981 6.325 -10.092 1.00 0.54 H new ATOM 643 N ASN A 90 0.954 -2.334 -8.728 1.00 0.19 N ATOM 644 CA ASN A 90 0.455 -3.600 -9.213 1.00 0.23 C ATOM 645 C ASN A 90 -0.444 -4.257 -8.181 1.00 0.22 C ATOM 646 O ASN A 90 -1.552 -4.676 -8.492 1.00 0.27 O ATOM 647 CB ASN A 90 1.632 -4.509 -9.539 1.00 0.27 C ATOM 648 CG ASN A 90 1.252 -5.631 -10.473 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.314 -5.488 -11.695 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.858 -6.754 -9.906 1.00 0.67 N ATOM 0 H ASN A 90 1.964 -2.315 -8.589 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.136 -3.428 -10.113 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.429 -3.918 -9.991 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.030 -4.928 -8.615 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.589 -7.550 -10.484 1.00 0.67 H new ATOM 0 HD22 ASN A 90 0.822 -6.827 -8.889 1.00 0.67 H new ATOM 657 N ARG A 91 0.037 -4.322 -6.948 1.00 0.19 N ATOM 658 CA ARG A 91 -0.701 -4.950 -5.862 1.00 0.20 C ATOM 659 C ARG A 91 -2.047 -4.260 -5.635 1.00 0.20 C ATOM 660 O ARG A 91 -3.039 -4.918 -5.324 1.00 0.22 O ATOM 661 CB ARG A 91 0.135 -4.922 -4.584 1.00 0.22 C ATOM 662 CG ARG A 91 -0.606 -5.382 -3.340 1.00 0.26 C ATOM 663 CD ARG A 91 -0.975 -6.851 -3.382 1.00 0.36 C ATOM 664 NE ARG A 91 -0.557 -7.509 -2.149 1.00 0.80 N ATOM 665 CZ ARG A 91 -0.031 -8.728 -2.080 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.126 -9.463 -3.176 1.00 1.38 N ATOM 667 NH2 ARG A 91 0.348 -9.206 -0.905 1.00 1.25 N ATOM 0 H ARG A 91 0.944 -3.944 -6.673 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.901 -5.986 -6.137 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.012 -5.554 -4.724 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.496 -3.906 -4.422 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.014 -5.193 -2.464 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.513 -4.788 -3.223 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -2.051 -6.960 -3.514 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -0.499 -7.329 -4.238 1.00 0.36 H new ATOM 0 HE ARG A 91 -0.677 -6.996 -1.276 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.158 -9.093 -4.083 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.531 -10.397 -3.110 1.00 1.38 H new ATOM 0 HH21 ARG A 91 0.235 -8.640 -0.064 1.00 1.25 H new ATOM 0 HH22 ARG A 91 0.753 -10.140 -0.841 1.00 1.25 H new ATOM 681 N GLN A 92 -2.077 -2.941 -5.805 1.00 0.19 N ATOM 682 CA GLN A 92 -3.308 -2.181 -5.621 1.00 0.21 C ATOM 683 C GLN A 92 -4.283 -2.504 -6.746 1.00 0.24 C ATOM 684 O GLN A 92 -5.490 -2.595 -6.527 1.00 0.26 O ATOM 685 CB GLN A 92 -3.004 -0.679 -5.559 1.00 0.23 C ATOM 686 CG GLN A 92 -4.096 0.152 -4.892 1.00 0.34 C ATOM 687 CD GLN A 92 -5.177 0.606 -5.848 1.00 0.45 C ATOM 688 OE1 GLN A 92 -6.366 0.834 -5.323 1.00 0.71 O flip ATOM 689 NE2 GLN A 92 -4.938 0.783 -7.040 1.00 0.78 N flip ATOM 0 H GLN A 92 -1.267 -2.379 -6.068 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.770 -2.464 -4.675 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.069 -0.531 -5.019 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.849 -0.309 -6.572 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -4.551 -0.434 -4.093 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -3.643 1.027 -4.427 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -4.005 0.595 -7.406 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.673 1.118 -7.663 1.00 0.78 H new ATOM 698 N GLN A 93 -3.744 -2.712 -7.944 1.00 0.26 N ATOM 699 CA GLN A 93 -4.551 -3.121 -9.090 1.00 0.32 C ATOM 700 C GLN A 93 -5.101 -4.525 -8.859 1.00 0.34 C ATOM 701 O GLN A 93 -6.174 -4.879 -9.344 1.00 0.40 O ATOM 702 CB GLN A 93 -3.723 -3.125 -10.383 1.00 0.36 C ATOM 703 CG GLN A 93 -3.020 -1.821 -10.703 1.00 0.38 C ATOM 704 CD GLN A 93 -3.963 -0.651 -10.783 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.152 -0.001 -9.657 1.00 0.71 O flip ATOM 706 NE2 GLN A 93 -4.503 -0.334 -11.843 1.00 0.57 N flip ATOM 0 H GLN A 93 -2.750 -2.604 -8.147 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.366 -2.405 -9.195 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.975 -3.915 -10.314 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.380 -3.379 -11.215 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.268 -1.623 -9.940 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.493 -1.922 -11.652 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -4.321 -0.874 -12.689 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -5.132 0.468 -11.875 1.00 0.57 H new ATOM 715 N ARG A 94 -4.351 -5.321 -8.100 1.00 0.33 N ATOM 716 CA ARG A 94 -4.705 -6.715 -7.878 1.00 0.38 C ATOM 717 C ARG A 94 -5.529 -6.867 -6.610 1.00 0.32 C ATOM 718 O ARG A 94 -5.815 -7.977 -6.180 1.00 0.46 O ATOM 719 CB ARG A 94 -3.457 -7.599 -7.796 1.00 0.47 C ATOM 720 CG ARG A 94 -2.503 -7.389 -8.952 1.00 0.70 C ATOM 721 CD ARG A 94 -3.170 -7.594 -10.299 1.00 0.95 C ATOM 722 NE ARG A 94 -3.440 -9.001 -10.590 1.00 1.67 N ATOM 723 CZ ARG A 94 -4.005 -9.421 -11.723 1.00 2.40 C ATOM 724 NH1 ARG A 94 -4.360 -8.541 -12.655 1.00 2.73 N ATOM 725 NH2 ARG A 94 -4.209 -10.714 -11.931 1.00 3.24 N ATOM 0 H ARG A 94 -3.496 -5.022 -7.630 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.303 -7.040 -8.730 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.936 -7.395 -6.861 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.761 -8.645 -7.770 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.094 -6.380 -8.903 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.664 -8.078 -8.857 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -4.106 -7.037 -10.324 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -2.533 -7.182 -11.081 1.00 0.95 H new ATOM 0 HE ARG A 94 -3.183 -9.698 -9.891 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.200 -7.545 -12.503 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -4.792 -8.862 -13.521 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -3.934 -11.394 -11.223 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -4.642 -11.029 -12.799 1.00 3.24 H new ATOM 739 N ALA A 95 -5.878 -5.749 -5.997 1.00 0.28 N ATOM 740 CA ALA A 95 -6.750 -5.747 -4.837 1.00 0.25 C ATOM 741 C ALA A 95 -8.209 -5.619 -5.275 1.00 0.26 C ATOM 742 O ALA A 95 -8.513 -4.938 -6.257 1.00 0.36 O ATOM 743 CB ALA A 95 -6.359 -4.607 -3.906 1.00 0.25 C ATOM 0 H ALA A 95 -5.566 -4.822 -6.288 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.640 -6.689 -4.299 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -7.015 -4.607 -3.035 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.327 -4.739 -3.582 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -6.455 -3.658 -4.433 1.00 0.25 H new ATOM 749 N HIS A 96 -9.096 -6.328 -4.583 1.00 0.29 N ATOM 750 CA HIS A 96 -10.523 -6.203 -4.812 1.00 0.29 C ATOM 751 C HIS A 96 -10.975 -4.794 -4.450 1.00 0.27 C ATOM 752 O HIS A 96 -10.524 -4.221 -3.457 1.00 0.29 O ATOM 753 CB HIS A 96 -11.285 -7.227 -3.977 1.00 0.33 C ATOM 754 CG HIS A 96 -12.678 -7.478 -4.462 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.734 -6.716 -4.032 1.00 0.38 N ATOM 756 CD2 HIS A 96 -13.130 -8.410 -5.336 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.801 -7.197 -4.646 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.486 -8.225 -5.448 1.00 0.50 N ATOM 0 H HIS A 96 -8.845 -6.998 -3.856 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.732 -6.390 -5.865 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.734 -8.167 -3.979 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.325 -6.883 -2.944 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.538 -9.155 -5.846 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.801 -6.811 -4.518 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -15.129 -8.764 -6.028 1.00 0.50 H new ATOM 766 N SER A 97 -11.881 -4.257 -5.245 1.00 0.32 N ATOM 767 CA SER A 97 -12.235 -2.847 -5.165 1.00 0.37 C ATOM 768 C SER A 97 -13.095 -2.527 -3.942 1.00 0.33 C ATOM 769 O SER A 97 -13.305 -1.356 -3.626 1.00 0.39 O ATOM 770 CB SER A 97 -12.957 -2.415 -6.444 1.00 0.48 C ATOM 771 OG SER A 97 -13.249 -1.028 -6.424 1.00 1.46 O ATOM 0 H SER A 97 -12.390 -4.778 -5.959 1.00 0.32 H new ATOM 0 HA SER A 97 -11.306 -2.287 -5.059 1.00 0.37 H new ATOM 0 HB2 SER A 97 -12.337 -2.646 -7.310 1.00 0.48 H new ATOM 0 HB3 SER A 97 -13.881 -2.982 -6.552 1.00 0.48 H new ATOM 0 HG SER A 97 -13.213 -0.699 -5.501 1.00 1.46 H new ATOM 777 N LEU A 98 -13.583 -3.550 -3.248 1.00 0.29 N ATOM 778 CA LEU A 98 -14.472 -3.330 -2.119 1.00 0.32 C ATOM 779 C LEU A 98 -13.727 -2.770 -0.919 1.00 0.35 C ATOM 780 O LEU A 98 -14.196 -1.832 -0.276 1.00 0.43 O ATOM 781 CB LEU A 98 -15.201 -4.617 -1.741 1.00 0.35 C ATOM 782 CG LEU A 98 -16.435 -4.925 -2.589 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.147 -6.158 -2.056 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.374 -3.726 -2.617 1.00 0.67 C ATOM 0 H LEU A 98 -13.379 -4.529 -3.447 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.210 -2.590 -2.427 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.504 -5.451 -1.822 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.502 -4.554 -0.695 1.00 0.35 H new ATOM 0 HG LEU A 98 -16.115 -5.130 -3.611 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -18.024 -6.366 -2.669 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.470 -7.012 -2.090 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.458 -5.982 -1.026 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -18.247 -3.962 -3.225 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.692 -3.489 -1.602 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.856 -2.868 -3.044 1.00 0.67 H new ATOM 796 N PHE A 99 -12.574 -3.346 -0.612 1.00 0.32 N ATOM 797 CA PHE A 99 -11.758 -2.840 0.482 1.00 0.34 C ATOM 798 C PHE A 99 -11.218 -1.466 0.144 1.00 0.34 C ATOM 799 O PHE A 99 -11.204 -0.571 0.985 1.00 0.39 O ATOM 800 CB PHE A 99 -10.600 -3.777 0.801 1.00 0.36 C ATOM 801 CG PHE A 99 -9.604 -3.178 1.760 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.989 -2.805 3.037 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.286 -2.977 1.379 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.080 -2.249 3.914 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.374 -2.423 2.253 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.771 -2.057 3.523 1.00 0.58 C ATOM 0 H PHE A 99 -12.186 -4.154 -1.098 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.398 -2.776 1.362 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -10.994 -4.701 1.225 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.090 -4.043 -0.125 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.012 -2.951 3.350 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -7.970 -3.258 0.385 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.394 -1.964 4.907 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.350 -2.276 1.944 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.059 -1.622 4.209 1.00 0.58 H new ATOM 816 N LEU A 100 -10.755 -1.314 -1.087 1.00 0.31 N ATOM 817 CA LEU A 100 -10.267 -0.032 -1.554 1.00 0.36 C ATOM 818 C LEU A 100 -11.330 1.046 -1.331 1.00 0.45 C ATOM 819 O LEU A 100 -11.054 2.086 -0.745 1.00 0.79 O ATOM 820 CB LEU A 100 -9.890 -0.133 -3.033 1.00 0.37 C ATOM 821 CG LEU A 100 -8.971 -1.314 -3.377 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.777 -1.425 -4.877 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.624 -1.180 -2.676 1.00 0.70 C ATOM 0 H LEU A 100 -10.708 -2.063 -1.778 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.378 0.247 -0.989 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.803 -0.216 -3.623 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -9.399 0.793 -3.334 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.451 -2.226 -3.022 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -8.123 -2.268 -5.098 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.743 -1.579 -5.358 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -8.326 -0.507 -5.254 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.992 -2.029 -2.937 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -7.139 -0.256 -2.993 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.776 -1.158 -1.597 1.00 0.70 H new ATOM 835 N ALA A 101 -12.565 0.762 -1.734 1.00 0.28 N ATOM 836 CA ALA A 101 -13.656 1.721 -1.597 1.00 0.33 C ATOM 837 C ALA A 101 -14.307 1.642 -0.216 1.00 0.36 C ATOM 838 O ALA A 101 -15.516 1.419 -0.091 1.00 0.57 O ATOM 839 CB ALA A 101 -14.693 1.500 -2.684 1.00 0.36 C ATOM 0 H ALA A 101 -12.835 -0.125 -2.158 1.00 0.28 H new ATOM 0 HA ALA A 101 -13.234 2.720 -1.706 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -15.501 2.223 -2.569 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -14.228 1.628 -3.662 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -15.095 0.490 -2.603 1.00 0.36 H new ATOM 845 N SER A 102 -13.503 1.852 0.812 1.00 0.34 N ATOM 846 CA SER A 102 -13.988 1.860 2.180 1.00 0.36 C ATOM 847 C SER A 102 -13.269 2.942 2.965 1.00 0.36 C ATOM 848 O SER A 102 -12.287 3.517 2.485 1.00 0.46 O ATOM 849 CB SER A 102 -13.764 0.502 2.848 1.00 0.40 C ATOM 850 OG SER A 102 -12.388 0.286 3.110 1.00 1.39 O ATOM 0 H SER A 102 -12.501 2.021 0.722 1.00 0.34 H new ATOM 0 HA SER A 102 -15.059 2.062 2.167 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.327 0.454 3.780 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.144 -0.291 2.204 1.00 0.40 H new ATOM 0 HG SER A 102 -11.885 0.322 2.269 1.00 1.39 H new ATOM 856 N ALA A 103 -13.749 3.223 4.161 1.00 0.35 N ATOM 857 CA ALA A 103 -13.098 4.191 5.026 1.00 0.36 C ATOM 858 C ALA A 103 -11.789 3.638 5.560 1.00 0.29 C ATOM 859 O ALA A 103 -10.853 4.388 5.842 1.00 0.30 O ATOM 860 CB ALA A 103 -14.014 4.568 6.171 1.00 0.44 C ATOM 0 H ALA A 103 -14.587 2.796 4.557 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.880 5.084 4.441 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.515 5.294 6.812 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.931 5.004 5.775 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.257 3.678 6.751 1.00 0.44 H new ATOM 866 N GLU A 104 -11.723 2.318 5.664 1.00 0.29 N ATOM 867 CA GLU A 104 -10.581 1.658 6.265 1.00 0.30 C ATOM 868 C GLU A 104 -9.311 1.914 5.465 1.00 0.26 C ATOM 869 O GLU A 104 -8.305 2.359 6.015 1.00 0.30 O ATOM 870 CB GLU A 104 -10.838 0.155 6.396 1.00 0.39 C ATOM 871 CG GLU A 104 -9.636 -0.610 6.923 1.00 0.49 C ATOM 872 CD GLU A 104 -9.985 -2.001 7.422 1.00 1.02 C ATOM 873 OE1 GLU A 104 -10.450 -2.135 8.570 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.805 -2.967 6.651 1.00 1.81 O ATOM 0 H GLU A 104 -12.452 1.684 5.337 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.439 2.076 7.262 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.685 -0.006 7.063 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.118 -0.246 5.422 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -8.890 -0.691 6.133 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.180 -0.043 7.735 1.00 0.49 H new ATOM 881 N PHE A 105 -9.368 1.666 4.164 1.00 0.22 N ATOM 882 CA PHE A 105 -8.189 1.807 3.324 1.00 0.20 C ATOM 883 C PHE A 105 -7.735 3.262 3.252 1.00 0.19 C ATOM 884 O PHE A 105 -6.538 3.539 3.164 1.00 0.16 O ATOM 885 CB PHE A 105 -8.444 1.254 1.925 1.00 0.21 C ATOM 886 CG PHE A 105 -7.186 1.161 1.114 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.070 0.540 1.645 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.109 1.701 -0.158 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.897 0.458 0.928 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.937 1.620 -0.887 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.829 1.000 -0.342 1.00 0.16 C ATOM 0 H PHE A 105 -10.210 1.369 3.671 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.388 1.225 3.779 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.897 0.266 2.004 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.161 1.893 1.409 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.119 0.113 2.636 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.972 2.190 -0.585 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -4.033 -0.028 1.356 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.888 2.041 -1.881 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.911 0.939 -0.907 1.00 0.16 H new ATOM 901 N CYS A 106 -8.687 4.191 3.289 1.00 0.27 N ATOM 902 CA CYS A 106 -8.353 5.608 3.386 1.00 0.27 C ATOM 903 C CYS A 106 -7.479 5.868 4.610 1.00 0.27 C ATOM 904 O CYS A 106 -6.475 6.577 4.522 1.00 0.28 O ATOM 905 CB CYS A 106 -9.614 6.469 3.455 1.00 0.29 C ATOM 906 SG CYS A 106 -9.287 8.228 3.760 1.00 0.59 S ATOM 0 H CYS A 106 -9.686 3.990 3.254 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.799 5.881 2.488 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.163 6.368 2.518 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.260 6.087 4.245 1.00 0.29 H new ATOM 0 HG CYS A 106 -9.745 8.933 2.768 1.00 0.59 H new ATOM 912 N ASN A 107 -7.857 5.282 5.748 1.00 0.28 N ATOM 913 CA ASN A 107 -7.065 5.402 6.971 1.00 0.30 C ATOM 914 C ASN A 107 -5.664 4.884 6.742 1.00 0.24 C ATOM 915 O ASN A 107 -4.689 5.567 7.023 1.00 0.23 O ATOM 916 CB ASN A 107 -7.682 4.617 8.122 1.00 0.37 C ATOM 917 CG ASN A 107 -8.998 5.200 8.598 1.00 0.46 C ATOM 918 OD1 ASN A 107 -9.247 6.399 8.467 1.00 0.78 O ATOM 919 ND2 ASN A 107 -9.844 4.361 9.165 1.00 0.64 N ATOM 0 H ASN A 107 -8.704 4.722 5.847 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.043 6.460 7.233 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.841 3.586 7.807 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.980 4.592 8.955 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.741 4.699 9.513 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -9.601 3.374 9.255 1.00 0.64 H new ATOM 926 N ILE A 108 -5.585 3.675 6.208 1.00 0.21 N ATOM 927 CA ILE A 108 -4.312 3.033 5.927 1.00 0.17 C ATOM 928 C ILE A 108 -3.410 3.951 5.114 1.00 0.12 C ATOM 929 O ILE A 108 -2.288 4.244 5.512 1.00 0.12 O ATOM 930 CB ILE A 108 -4.538 1.704 5.169 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.690 0.541 6.145 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.435 1.423 4.163 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.017 0.536 6.857 1.00 0.39 C ATOM 0 H ILE A 108 -6.399 3.113 5.958 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.821 2.821 6.877 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.466 1.810 4.607 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.572 -0.398 5.604 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.889 0.587 6.883 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.637 0.480 3.656 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.397 2.229 3.430 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.478 1.359 4.681 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.062 -0.315 7.536 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.129 1.460 7.425 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.822 0.460 6.126 1.00 0.39 H new ATOM 945 N LEU A 109 -3.931 4.429 3.999 1.00 0.12 N ATOM 946 CA LEU A 109 -3.172 5.275 3.097 1.00 0.12 C ATOM 947 C LEU A 109 -2.762 6.590 3.729 1.00 0.13 C ATOM 948 O LEU A 109 -1.583 6.929 3.735 1.00 0.13 O ATOM 949 CB LEU A 109 -3.977 5.538 1.845 1.00 0.15 C ATOM 950 CG LEU A 109 -3.798 4.487 0.772 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.830 4.670 -0.304 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.406 4.582 0.193 1.00 0.17 C ATOM 0 H LEU A 109 -4.887 4.243 3.694 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.255 4.739 2.851 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.033 5.598 2.109 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.694 6.509 1.440 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.929 3.498 1.211 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.693 3.909 -1.072 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.826 4.575 0.128 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.720 5.659 -0.749 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.281 3.823 -0.580 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.260 5.571 -0.242 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.672 4.421 0.982 1.00 0.17 H new ATOM 964 N SER A 110 -3.730 7.317 4.266 1.00 0.16 N ATOM 965 CA SER A 110 -3.460 8.614 4.870 1.00 0.20 C ATOM 966 C SER A 110 -2.402 8.481 5.958 1.00 0.19 C ATOM 967 O SER A 110 -1.517 9.326 6.103 1.00 0.22 O ATOM 968 CB SER A 110 -4.747 9.201 5.450 1.00 0.28 C ATOM 969 OG SER A 110 -5.369 8.293 6.343 1.00 1.18 O ATOM 0 H SER A 110 -4.709 7.032 4.296 1.00 0.16 H new ATOM 0 HA SER A 110 -3.083 9.288 4.101 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.522 10.131 5.972 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.434 9.447 4.641 1.00 0.28 H new ATOM 0 HG SER A 110 -5.892 7.640 5.833 1.00 1.18 H new ATOM 975 N ARG A 111 -2.496 7.393 6.702 1.00 0.18 N ATOM 976 CA ARG A 111 -1.573 7.115 7.779 1.00 0.19 C ATOM 977 C ARG A 111 -0.194 6.690 7.255 1.00 0.16 C ATOM 978 O ARG A 111 0.795 7.366 7.528 1.00 0.17 O ATOM 979 CB ARG A 111 -2.178 6.058 8.708 1.00 0.25 C ATOM 980 CG ARG A 111 -3.370 6.578 9.497 1.00 0.33 C ATOM 981 CD ARG A 111 -4.042 5.473 10.292 1.00 1.22 C ATOM 982 NE ARG A 111 -5.315 5.910 10.861 1.00 1.97 N ATOM 983 CZ ARG A 111 -6.146 5.115 11.532 1.00 2.79 C ATOM 984 NH1 ARG A 111 -5.853 3.833 11.713 1.00 3.10 N ATOM 985 NH2 ARG A 111 -7.277 5.605 12.017 1.00 3.73 N ATOM 0 H ARG A 111 -3.215 6.681 6.574 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.413 8.031 8.347 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.488 5.196 8.117 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.413 5.710 9.402 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -3.042 7.366 10.175 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.092 7.025 8.814 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.210 4.611 9.646 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -3.379 5.147 11.093 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.584 6.886 10.736 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.986 3.450 11.337 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -6.495 3.231 12.228 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -7.509 6.588 11.876 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -7.916 4.999 12.532 1.00 3.73 H new ATOM 999 N VAL A 112 -0.121 5.613 6.468 1.00 0.15 N ATOM 1000 CA VAL A 112 1.183 5.083 6.045 1.00 0.14 C ATOM 1001 C VAL A 112 1.913 6.029 5.096 1.00 0.14 C ATOM 1002 O VAL A 112 3.131 6.181 5.192 1.00 0.15 O ATOM 1003 CB VAL A 112 1.108 3.682 5.393 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.494 2.664 6.339 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.349 3.728 4.084 1.00 0.15 C ATOM 0 H VAL A 112 -0.929 5.099 6.116 1.00 0.15 H new ATOM 0 HA VAL A 112 1.745 4.991 6.974 1.00 0.14 H new ATOM 0 HB VAL A 112 2.129 3.365 5.179 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.456 1.690 5.851 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.101 2.594 7.242 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.516 2.977 6.604 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.313 2.729 3.649 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.666 4.082 4.264 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.853 4.406 3.395 1.00 0.15 H new ATOM 1015 N LEU A 113 1.183 6.676 4.191 1.00 0.15 N ATOM 1016 CA LEU A 113 1.789 7.585 3.256 1.00 0.16 C ATOM 1017 C LEU A 113 2.438 8.747 3.997 1.00 0.17 C ATOM 1018 O LEU A 113 3.608 9.054 3.776 1.00 0.20 O ATOM 1019 CB LEU A 113 0.730 8.066 2.261 1.00 0.16 C ATOM 1020 CG LEU A 113 0.875 9.504 1.799 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.123 9.677 0.949 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.359 9.944 1.035 1.00 0.27 C ATOM 0 H LEU A 113 0.172 6.579 4.095 1.00 0.15 H new ATOM 0 HA LEU A 113 2.576 7.076 2.699 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.757 7.417 1.386 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.253 7.946 2.717 1.00 0.16 H new ATOM 0 HG LEU A 113 0.977 10.136 2.681 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.205 10.716 0.630 1.00 0.20 H new ATOM 0 HD12 LEU A 113 3.002 9.407 1.534 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.058 9.032 0.072 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.237 10.978 0.711 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.494 9.304 0.163 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.234 9.867 1.681 1.00 0.27 H new ATOM 1034 N SER A 114 1.692 9.355 4.909 1.00 0.17 N ATOM 1035 CA SER A 114 2.188 10.509 5.645 1.00 0.21 C ATOM 1036 C SER A 114 3.291 10.078 6.607 1.00 0.18 C ATOM 1037 O SER A 114 4.219 10.840 6.891 1.00 0.20 O ATOM 1038 CB SER A 114 1.047 11.204 6.391 1.00 0.26 C ATOM 1039 OG SER A 114 1.458 12.460 6.911 1.00 1.06 O ATOM 0 H SER A 114 0.744 9.070 5.156 1.00 0.17 H new ATOM 0 HA SER A 114 2.607 11.225 4.938 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.203 11.346 5.717 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.701 10.567 7.205 1.00 0.26 H new ATOM 0 HG SER A 114 0.708 12.881 7.381 1.00 1.06 H new ATOM 1045 N ARG A 115 3.188 8.850 7.105 1.00 0.15 N ATOM 1046 CA ARG A 115 4.244 8.267 7.911 1.00 0.16 C ATOM 1047 C ARG A 115 5.553 8.221 7.136 1.00 0.15 C ATOM 1048 O ARG A 115 6.601 8.580 7.660 1.00 0.18 O ATOM 1049 CB ARG A 115 3.860 6.863 8.374 1.00 0.20 C ATOM 1050 CG ARG A 115 2.940 6.866 9.576 1.00 0.31 C ATOM 1051 CD ARG A 115 3.553 7.655 10.712 1.00 0.53 C ATOM 1052 NE ARG A 115 2.873 7.440 11.983 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.714 8.390 12.902 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.067 9.646 12.632 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.175 8.094 14.075 1.00 1.62 N ATOM 0 H ARG A 115 2.381 8.242 6.962 1.00 0.15 H new ATOM 0 HA ARG A 115 4.381 8.898 8.789 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.374 6.336 7.553 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.765 6.307 8.618 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.977 7.299 9.303 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.750 5.842 9.898 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.602 7.378 10.816 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.526 8.717 10.466 1.00 0.53 H new ATOM 0 HE ARG A 115 2.499 6.512 12.179 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.460 9.881 11.720 1.00 1.63 H new ATOM 0 HH12 ARG A 115 2.945 10.373 13.337 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.881 7.138 14.275 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.053 8.822 14.779 1.00 1.62 H new ATOM 1069 N ALA A 116 5.478 7.798 5.880 1.00 0.15 N ATOM 1070 CA ALA A 116 6.662 7.689 5.035 1.00 0.18 C ATOM 1071 C ALA A 116 7.181 9.063 4.618 1.00 0.21 C ATOM 1072 O ALA A 116 8.377 9.243 4.392 1.00 0.25 O ATOM 1073 CB ALA A 116 6.360 6.837 3.820 1.00 0.20 C ATOM 0 H ALA A 116 4.608 7.524 5.423 1.00 0.15 H new ATOM 0 HA ALA A 116 7.448 7.206 5.616 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.251 6.763 3.197 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.058 5.840 4.141 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.553 7.294 3.247 1.00 0.20 H new ATOM 1079 N ARG A 117 6.270 10.027 4.508 1.00 0.23 N ATOM 1080 CA ARG A 117 6.636 11.416 4.227 1.00 0.28 C ATOM 1081 C ARG A 117 7.520 11.960 5.347 1.00 0.29 C ATOM 1082 O ARG A 117 8.435 12.751 5.115 1.00 0.39 O ATOM 1083 CB ARG A 117 5.376 12.285 4.112 1.00 0.38 C ATOM 1084 CG ARG A 117 4.398 11.818 3.048 1.00 1.06 C ATOM 1085 CD ARG A 117 4.827 12.236 1.655 1.00 1.15 C ATOM 1086 NE ARG A 117 4.164 13.462 1.225 1.00 1.75 N ATOM 1087 CZ ARG A 117 3.643 13.639 0.012 1.00 2.25 C ATOM 1088 NH1 ARG A 117 3.729 12.680 -0.900 1.00 2.33 N ATOM 1089 NH2 ARG A 117 3.030 14.774 -0.290 1.00 2.99 N ATOM 0 H ARG A 117 5.267 9.872 4.610 1.00 0.23 H new ATOM 0 HA ARG A 117 7.182 11.446 3.284 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.868 12.300 5.076 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.673 13.310 3.893 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.310 10.732 3.089 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.410 12.226 3.260 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.907 12.382 1.637 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.602 11.435 0.950 1.00 1.15 H new ATOM 0 HE ARG A 117 4.095 14.230 1.893 1.00 1.75 H new ATOM 0 HH11 ARG A 117 4.196 11.802 -0.674 1.00 2.33 H new ATOM 0 HH12 ARG A 117 3.328 12.821 -1.827 1.00 2.33 H new ATOM 0 HH21 ARG A 117 2.956 15.515 0.407 1.00 2.99 H new ATOM 0 HH22 ARG A 117 2.632 14.907 -1.220 1.00 2.99 H new ATOM 1103 N SER A 118 7.230 11.514 6.559 1.00 0.28 N ATOM 1104 CA SER A 118 7.940 11.954 7.750 1.00 0.33 C ATOM 1105 C SER A 118 9.166 11.089 7.993 1.00 0.32 C ATOM 1106 O SER A 118 10.258 11.582 8.285 1.00 0.41 O ATOM 1107 CB SER A 118 7.001 11.849 8.945 1.00 0.38 C ATOM 1108 OG SER A 118 7.441 12.640 10.037 1.00 0.62 O ATOM 0 H SER A 118 6.493 10.834 6.745 1.00 0.28 H new ATOM 0 HA SER A 118 8.266 12.985 7.612 1.00 0.33 H new ATOM 0 HB2 SER A 118 6.000 12.164 8.649 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.927 10.808 9.258 1.00 0.38 H new ATOM 0 HG SER A 118 6.812 12.547 10.783 1.00 0.62 H new ATOM 1114 N ARG A 119 8.954 9.796 7.865 1.00 0.26 N ATOM 1115 CA ARG A 119 9.979 8.792 8.110 1.00 0.28 C ATOM 1116 C ARG A 119 10.328 8.026 6.833 1.00 0.26 C ATOM 1117 O ARG A 119 9.853 6.908 6.625 1.00 0.25 O ATOM 1118 CB ARG A 119 9.498 7.788 9.162 1.00 0.33 C ATOM 1119 CG ARG A 119 9.283 8.369 10.545 1.00 0.47 C ATOM 1120 CD ARG A 119 10.601 8.576 11.259 1.00 1.28 C ATOM 1121 NE ARG A 119 10.419 8.883 12.673 1.00 1.54 N ATOM 1122 CZ ARG A 119 11.108 9.809 13.336 1.00 2.39 C ATOM 1123 NH1 ARG A 119 12.011 10.548 12.707 1.00 3.26 N ATOM 1124 NH2 ARG A 119 10.896 9.989 14.633 1.00 2.60 N ATOM 0 H ARG A 119 8.055 9.403 7.585 1.00 0.26 H new ATOM 0 HA ARG A 119 10.866 9.316 8.465 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.563 7.345 8.820 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.226 6.980 9.232 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.755 9.320 10.466 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.650 7.701 11.129 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.211 7.678 11.159 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.148 9.388 10.780 1.00 1.28 H new ATOM 0 HE ARG A 119 9.717 8.353 13.188 1.00 1.54 H new ATOM 0 HH11 ARG A 119 12.180 10.408 11.711 1.00 3.26 H new ATOM 0 HH12 ARG A 119 12.537 11.256 13.219 1.00 3.26 H new ATOM 0 HH21 ARG A 119 10.206 9.418 15.121 1.00 2.60 H new ATOM 0 HH22 ARG A 119 11.423 10.698 15.142 1.00 2.60 H new ATOM 1138 N PRO A 120 11.172 8.609 5.970 1.00 0.29 N ATOM 1139 CA PRO A 120 11.693 7.930 4.779 1.00 0.30 C ATOM 1140 C PRO A 120 12.482 6.685 5.162 1.00 0.27 C ATOM 1141 O PRO A 120 12.568 5.716 4.407 1.00 0.28 O ATOM 1142 CB PRO A 120 12.626 8.972 4.153 1.00 0.37 C ATOM 1143 CG PRO A 120 12.924 9.932 5.247 1.00 0.38 C ATOM 1144 CD PRO A 120 11.685 9.976 6.081 1.00 0.35 C ATOM 0 HA PRO A 120 10.902 7.596 4.107 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.538 8.509 3.776 1.00 0.37 H new ATOM 0 HB3 PRO A 120 12.150 9.471 3.309 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.782 9.605 5.834 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.166 10.918 4.850 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.902 10.244 7.115 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.970 10.708 5.706 1.00 0.35 H new ATOM 1152 N ALA A 121 13.033 6.729 6.367 1.00 0.25 N ATOM 1153 CA ALA A 121 13.829 5.641 6.911 1.00 0.28 C ATOM 1154 C ALA A 121 13.001 4.371 7.107 1.00 0.27 C ATOM 1155 O ALA A 121 13.538 3.261 7.102 1.00 0.35 O ATOM 1156 CB ALA A 121 14.446 6.080 8.228 1.00 0.33 C ATOM 0 H ALA A 121 12.939 7.526 6.997 1.00 0.25 H new ATOM 0 HA ALA A 121 14.616 5.403 6.196 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.044 5.266 8.639 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.082 6.949 8.060 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.655 6.340 8.931 1.00 0.33 H new ATOM 1162 N LYS A 122 11.696 4.535 7.298 1.00 0.22 N ATOM 1163 CA LYS A 122 10.803 3.402 7.471 1.00 0.27 C ATOM 1164 C LYS A 122 9.732 3.387 6.391 1.00 0.19 C ATOM 1165 O LYS A 122 8.732 2.681 6.509 1.00 0.18 O ATOM 1166 CB LYS A 122 10.171 3.448 8.858 1.00 0.39 C ATOM 1167 CG LYS A 122 11.170 3.188 9.970 1.00 0.49 C ATOM 1168 CD LYS A 122 11.240 1.712 10.327 1.00 0.66 C ATOM 1169 CE LYS A 122 12.206 1.458 11.477 1.00 1.28 C ATOM 1170 NZ LYS A 122 11.797 2.173 12.717 1.00 1.79 N ATOM 0 H LYS A 122 11.236 5.444 7.336 1.00 0.22 H new ATOM 0 HA LYS A 122 11.382 2.483 7.379 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.711 4.425 9.010 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.373 2.708 8.913 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.156 3.535 9.662 1.00 0.49 H new ATOM 0 HG3 LYS A 122 10.891 3.763 10.853 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.247 1.356 10.600 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.555 1.140 9.454 1.00 0.66 H new ATOM 0 HE2 LYS A 122 12.259 0.388 11.676 1.00 1.28 H new ATOM 0 HE3 LYS A 122 13.207 1.778 11.187 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.317 1.784 13.529 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.012 3.186 12.621 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 10.776 2.049 12.868 1.00 1.79 H new ATOM 1184 N LEU A 123 9.960 4.168 5.335 1.00 0.17 N ATOM 1185 CA LEU A 123 9.086 4.195 4.172 1.00 0.14 C ATOM 1186 C LEU A 123 8.740 2.788 3.709 1.00 0.12 C ATOM 1187 O LEU A 123 7.590 2.494 3.392 1.00 0.12 O ATOM 1188 CB LEU A 123 9.783 4.939 3.045 1.00 0.16 C ATOM 1189 CG LEU A 123 9.259 4.628 1.655 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.102 5.538 1.304 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.380 4.750 0.655 1.00 0.21 C ATOM 0 H LEU A 123 10.758 4.799 5.266 1.00 0.17 H new ATOM 0 HA LEU A 123 8.160 4.700 4.447 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.687 6.010 3.222 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.847 4.704 3.077 1.00 0.16 H new ATOM 0 HG LEU A 123 8.885 3.605 1.631 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.741 5.299 0.304 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.296 5.396 2.024 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.434 6.576 1.331 1.00 0.15 H new ATOM 0 HD21 LEU A 123 10.003 4.527 -0.343 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.776 5.765 0.674 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.173 4.046 0.909 1.00 0.21 H new ATOM 1203 N TYR A 124 9.742 1.916 3.690 1.00 0.13 N ATOM 1204 CA TYR A 124 9.551 0.551 3.240 1.00 0.13 C ATOM 1205 C TYR A 124 8.559 -0.165 4.125 1.00 0.13 C ATOM 1206 O TYR A 124 7.705 -0.860 3.623 1.00 0.14 O ATOM 1207 CB TYR A 124 10.875 -0.197 3.204 1.00 0.14 C ATOM 1208 CG TYR A 124 11.773 0.211 2.069 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.687 1.249 2.200 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.706 -0.451 0.860 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.509 1.607 1.149 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.515 -0.103 -0.184 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.416 0.925 -0.046 1.00 0.24 C ATOM 1214 OH TYR A 124 14.224 1.270 -1.102 1.00 0.31 O ATOM 0 H TYR A 124 10.694 2.135 3.982 1.00 0.13 H new ATOM 0 HA TYR A 124 9.150 0.579 2.227 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.399 -0.034 4.146 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.676 -1.266 3.131 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.756 1.783 3.136 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.001 -1.259 0.737 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.218 2.414 1.262 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.446 -0.637 -1.120 1.00 0.19 H new ATOM 0 HH TYR A 124 14.030 0.688 -1.866 1.00 0.31 H new ATOM 1224 N VAL A 125 8.655 0.021 5.433 1.00 0.13 N ATOM 1225 CA VAL A 125 7.675 -0.560 6.349 1.00 0.14 C ATOM 1226 C VAL A 125 6.255 -0.198 5.925 1.00 0.12 C ATOM 1227 O VAL A 125 5.363 -1.037 5.931 1.00 0.14 O ATOM 1228 CB VAL A 125 7.905 -0.089 7.795 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.805 -0.600 8.718 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.272 -0.539 8.273 1.00 0.23 C ATOM 0 H VAL A 125 9.392 0.563 5.884 1.00 0.13 H new ATOM 0 HA VAL A 125 7.803 -1.642 6.308 1.00 0.14 H new ATOM 0 HB VAL A 125 7.870 1.000 7.817 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.992 -0.253 9.734 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.840 -0.224 8.378 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.795 -1.690 8.703 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.428 -0.202 9.298 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.331 -1.627 8.236 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.041 -0.112 7.629 1.00 0.23 H new ATOM 1240 N TYR A 126 6.068 1.048 5.527 1.00 0.11 N ATOM 1241 CA TYR A 126 4.764 1.533 5.108 1.00 0.11 C ATOM 1242 C TYR A 126 4.412 0.981 3.729 1.00 0.10 C ATOM 1243 O TYR A 126 3.249 0.727 3.428 1.00 0.11 O ATOM 1244 CB TYR A 126 4.767 3.060 5.139 1.00 0.12 C ATOM 1245 CG TYR A 126 5.285 3.579 6.460 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.784 3.071 7.649 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.296 4.532 6.528 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.265 3.494 8.866 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.789 4.958 7.749 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.268 4.434 8.915 1.00 0.20 C ATOM 1251 OH TYR A 126 6.757 4.841 10.138 1.00 0.25 O ATOM 0 H TYR A 126 6.809 1.748 5.485 1.00 0.11 H new ATOM 0 HA TYR A 126 3.993 1.182 5.794 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.386 3.442 4.327 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.756 3.432 4.970 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.000 2.328 7.619 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.701 4.945 5.616 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.857 3.089 9.780 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.577 5.696 7.789 1.00 0.20 H new ATOM 0 HH TYR A 126 7.462 5.508 10.003 1.00 0.25 H new ATOM 1261 N ILE A 127 5.437 0.788 2.905 1.00 0.11 N ATOM 1262 CA ILE A 127 5.304 0.064 1.642 1.00 0.11 C ATOM 1263 C ILE A 127 4.838 -1.365 1.918 1.00 0.11 C ATOM 1264 O ILE A 127 3.874 -1.855 1.325 1.00 0.11 O ATOM 1265 CB ILE A 127 6.665 0.027 0.899 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.035 1.431 0.422 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.634 -0.937 -0.269 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.509 1.622 0.137 1.00 0.11 C ATOM 0 H ILE A 127 6.381 1.127 3.091 1.00 0.11 H new ATOM 0 HA ILE A 127 4.572 0.576 1.018 1.00 0.11 H new ATOM 0 HB ILE A 127 7.423 -0.327 1.598 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.470 1.656 -0.482 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.726 2.152 1.179 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.604 -0.937 -0.766 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.412 -1.941 0.093 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.864 -0.628 -0.976 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.686 2.645 -0.196 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.083 1.432 1.044 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.822 0.927 -0.643 1.00 0.11 H new ATOM 1280 N ASN A 128 5.543 -2.008 2.839 1.00 0.12 N ATOM 1281 CA ASN A 128 5.251 -3.356 3.286 1.00 0.14 C ATOM 1282 C ASN A 128 3.823 -3.445 3.810 1.00 0.14 C ATOM 1283 O ASN A 128 3.054 -4.320 3.401 1.00 0.16 O ATOM 1284 CB ASN A 128 6.233 -3.744 4.404 1.00 0.20 C ATOM 1285 CG ASN A 128 7.677 -3.932 3.946 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.459 -4.620 4.592 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.047 -3.329 2.837 1.00 0.26 N ATOM 0 H ASN A 128 6.351 -1.594 3.304 1.00 0.12 H new ATOM 0 HA ASN A 128 5.358 -4.040 2.444 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.208 -2.974 5.175 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.889 -4.669 4.866 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.003 -3.429 2.497 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.377 -2.762 2.317 1.00 0.26 H new ATOM 1294 N GLU A 129 3.480 -2.528 4.717 1.00 0.13 N ATOM 1295 CA GLU A 129 2.139 -2.459 5.277 1.00 0.16 C ATOM 1296 C GLU A 129 1.110 -2.348 4.180 1.00 0.15 C ATOM 1297 O GLU A 129 0.297 -3.238 3.999 1.00 0.17 O ATOM 1298 CB GLU A 129 1.995 -1.251 6.206 1.00 0.23 C ATOM 1299 CG GLU A 129 2.694 -1.426 7.533 1.00 0.29 C ATOM 1300 CD GLU A 129 2.392 -0.314 8.521 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.338 -0.363 9.188 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.211 0.627 8.623 1.00 1.03 O ATOM 0 H GLU A 129 4.121 -1.821 5.078 1.00 0.13 H new ATOM 0 HA GLU A 129 1.976 -3.375 5.845 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.396 -0.369 5.707 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.936 -1.063 6.384 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.398 -2.380 7.969 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.770 -1.472 7.366 1.00 0.29 H new ATOM 1309 N LEU A 130 1.203 -1.267 3.432 1.00 0.14 N ATOM 1310 CA LEU A 130 0.263 -0.952 2.368 1.00 0.15 C ATOM 1311 C LEU A 130 0.055 -2.131 1.415 1.00 0.15 C ATOM 1312 O LEU A 130 -1.080 -2.477 1.089 1.00 0.18 O ATOM 1313 CB LEU A 130 0.803 0.262 1.622 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.171 0.984 0.707 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.507 1.194 1.402 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.437 2.313 0.300 1.00 0.12 C ATOM 0 H LEU A 130 1.941 -0.572 3.545 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.715 -0.737 2.799 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.174 0.976 2.357 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.659 -0.056 1.026 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.354 0.379 -0.181 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.190 1.713 0.729 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.931 0.228 1.675 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.359 1.792 2.301 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.252 2.842 -0.358 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.624 2.915 1.189 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.376 2.138 -0.224 1.00 0.12 H new ATOM 1328 N CYS A 131 1.144 -2.760 0.995 1.00 0.14 N ATOM 1329 CA CYS A 131 1.069 -3.877 0.059 1.00 0.17 C ATOM 1330 C CYS A 131 0.366 -5.085 0.686 1.00 0.18 C ATOM 1331 O CYS A 131 -0.458 -5.743 0.040 1.00 0.21 O ATOM 1332 CB CYS A 131 2.476 -4.266 -0.407 1.00 0.20 C ATOM 1333 SG CYS A 131 2.514 -5.609 -1.616 1.00 0.53 S ATOM 0 H CYS A 131 2.091 -2.517 1.287 1.00 0.14 H new ATOM 0 HA CYS A 131 0.481 -3.558 -0.801 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.958 -3.389 -0.840 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.066 -4.558 0.462 1.00 0.20 H new ATOM 0 HG CYS A 131 3.433 -5.368 -2.503 1.00 0.53 H new ATOM 1339 N THR A 132 0.682 -5.371 1.942 1.00 0.19 N ATOM 1340 CA THR A 132 0.063 -6.485 2.645 1.00 0.23 C ATOM 1341 C THR A 132 -1.383 -6.139 2.974 1.00 0.21 C ATOM 1342 O THR A 132 -2.281 -6.974 2.869 1.00 0.22 O ATOM 1343 CB THR A 132 0.834 -6.815 3.935 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.223 -6.989 3.631 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.293 -8.080 4.583 1.00 0.36 C ATOM 0 H THR A 132 1.362 -4.848 2.493 1.00 0.19 H new ATOM 0 HA THR A 132 0.089 -7.363 2.000 1.00 0.23 H new ATOM 0 HB THR A 132 0.708 -5.988 4.634 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.646 -6.112 3.521 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.855 -8.292 5.493 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.759 -7.941 4.830 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.395 -8.916 3.891 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.580 -4.878 3.326 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.890 -4.309 3.597 1.00 0.17 C ATOM 1355 C VAL A 133 -3.834 -4.566 2.436 1.00 0.18 C ATOM 1356 O VAL A 133 -4.991 -4.957 2.629 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.752 -2.785 3.841 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.043 -2.045 3.547 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.295 -2.503 5.267 1.00 0.18 C ATOM 0 H VAL A 133 -0.818 -4.208 3.433 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.303 -4.783 4.487 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.994 -2.417 3.149 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.902 -0.980 3.731 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.322 -2.199 2.505 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.835 -2.423 4.194 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.205 -1.427 5.414 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -3.025 -2.906 5.969 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.327 -2.975 5.439 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.318 -4.368 1.234 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.088 -4.566 0.026 1.00 0.20 C ATOM 1371 C LEU A 134 -4.653 -5.978 -0.051 1.00 0.23 C ATOM 1372 O LEU A 134 -5.846 -6.153 -0.224 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.225 -4.267 -1.197 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.845 -2.795 -1.341 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.908 -2.574 -2.508 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.087 -1.958 -1.510 1.00 0.20 C ATOM 0 H LEU A 134 -2.357 -4.067 1.073 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.932 -3.876 0.045 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.314 -4.863 -1.142 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.759 -4.584 -2.093 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.323 -2.493 -0.433 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.659 -1.515 -2.579 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.996 -3.152 -2.357 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.393 -2.896 -3.430 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.808 -0.909 -1.612 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.624 -2.279 -2.403 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.729 -2.079 -0.638 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.817 -6.987 0.104 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.297 -8.355 -0.040 1.00 0.29 C ATOM 1390 C LYS A 135 -4.990 -8.863 1.207 1.00 0.30 C ATOM 1391 O LYS A 135 -5.873 -9.717 1.122 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.192 -9.307 -0.455 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.381 -9.772 -1.878 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.713 -10.506 -2.046 1.00 0.45 C ATOM 1395 CE LYS A 135 -5.160 -10.513 -3.488 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.642 -9.168 -3.889 1.00 1.59 N ATOM 0 H LYS A 135 -2.825 -6.894 0.324 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.037 -8.325 -0.840 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.226 -8.813 -0.356 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.179 -10.168 0.213 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -3.347 -8.915 -2.551 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.561 -10.432 -2.160 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.613 -11.531 -1.690 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.474 -10.027 -1.430 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -4.333 -10.816 -4.130 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -5.955 -11.246 -3.625 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.898 -9.177 -4.897 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -6.477 -8.915 -3.322 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -4.890 -8.468 -3.729 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.585 -8.351 2.354 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.183 -8.753 3.620 1.00 0.30 C ATOM 1412 C ALA A 136 -6.694 -8.564 3.595 1.00 0.31 C ATOM 1413 O ALA A 136 -7.441 -9.393 4.117 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.588 -7.959 4.771 1.00 0.33 C ATOM 0 H ALA A 136 -3.844 -7.655 2.439 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.965 -9.811 3.767 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -5.048 -8.275 5.707 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.513 -8.135 4.817 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.775 -6.897 4.615 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.145 -7.475 2.983 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.552 -7.144 3.009 1.00 0.35 C ATOM 1422 C HIS A 137 -9.167 -7.065 1.612 1.00 0.35 C ATOM 1423 O HIS A 137 -10.374 -6.869 1.481 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.758 -5.829 3.745 1.00 0.39 C ATOM 1425 CG HIS A 137 -8.031 -5.744 5.055 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.437 -6.406 6.189 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.889 -5.095 5.393 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.584 -6.173 7.165 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.633 -5.377 6.712 1.00 0.49 N ATOM 0 H HIS A 137 -6.559 -6.817 2.470 1.00 0.30 H new ATOM 0 HA HIS A 137 -9.063 -7.951 3.535 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.429 -5.010 3.105 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.824 -5.687 3.923 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -6.291 -4.472 4.744 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.651 -6.567 8.168 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.840 -5.030 7.252 1.00 0.49 H new ATOM 1438 N SER A 138 -8.357 -7.214 0.570 1.00 0.31 N ATOM 1439 CA SER A 138 -8.880 -7.154 -0.791 1.00 0.33 C ATOM 1440 C SER A 138 -8.511 -8.392 -1.593 1.00 0.55 C ATOM 1441 O SER A 138 -7.351 -8.798 -1.690 1.00 1.05 O ATOM 1442 CB SER A 138 -8.391 -5.922 -1.534 1.00 0.38 C ATOM 1443 OG SER A 138 -8.103 -4.863 -0.656 1.00 1.00 O ATOM 0 H SER A 138 -7.352 -7.375 0.638 1.00 0.31 H new ATOM 0 HA SER A 138 -9.964 -7.102 -0.693 1.00 0.33 H new ATOM 0 HB2 SER A 138 -7.498 -6.173 -2.106 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.149 -5.605 -2.250 1.00 0.38 H new ATOM 0 HG SER A 138 -7.205 -4.983 -0.283 1.00 1.00 H new ATOM 1624 N SER B 27 4.394 -11.115 3.058 1.00 0.55 N ATOM 1625 CA SER B 27 4.026 -9.871 3.714 1.00 0.54 C ATOM 1626 C SER B 27 5.053 -8.770 3.466 1.00 0.44 C ATOM 1627 O SER B 27 5.199 -8.279 2.345 1.00 0.53 O ATOM 1628 CB SER B 27 3.827 -10.122 5.215 1.00 0.75 C ATOM 1629 OG SER B 27 3.298 -8.987 5.891 1.00 1.37 O ATOM 0 HA SER B 27 3.087 -9.520 3.285 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.155 -10.969 5.353 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.782 -10.396 5.664 1.00 0.75 H new ATOM 0 HG SER B 27 4.012 -8.544 6.395 1.00 1.37 H new ATOM 1635 N ASP B 28 5.777 -8.419 4.511 1.00 0.43 N ATOM 1636 CA ASP B 28 6.722 -7.316 4.473 1.00 0.37 C ATOM 1637 C ASP B 28 8.026 -7.762 3.844 1.00 0.33 C ATOM 1638 O ASP B 28 8.635 -7.041 3.052 1.00 0.31 O ATOM 1639 CB ASP B 28 6.981 -6.805 5.894 1.00 0.44 C ATOM 1640 CG ASP B 28 5.704 -6.634 6.691 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.256 -7.602 7.332 1.00 1.07 O ATOM 1642 OD2 ASP B 28 5.144 -5.513 6.686 1.00 1.83 O ATOM 0 H ASP B 28 5.727 -8.891 5.414 1.00 0.43 H new ATOM 0 HA ASP B 28 6.298 -6.512 3.872 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.639 -7.502 6.413 1.00 0.44 H new ATOM 0 HB3 ASP B 28 7.505 -5.850 5.844 1.00 0.44 H new ATOM 1647 N SER B 29 8.428 -8.979 4.173 1.00 0.36 N ATOM 1648 CA SER B 29 9.704 -9.517 3.738 1.00 0.34 C ATOM 1649 C SER B 29 9.781 -9.631 2.227 1.00 0.33 C ATOM 1650 O SER B 29 10.869 -9.655 1.664 1.00 0.34 O ATOM 1651 CB SER B 29 9.928 -10.865 4.373 1.00 0.39 C ATOM 1652 OG SER B 29 9.815 -10.775 5.785 1.00 1.07 O ATOM 0 H SER B 29 7.880 -9.619 4.748 1.00 0.36 H new ATOM 0 HA SER B 29 10.487 -8.827 4.054 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.200 -11.580 3.989 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.916 -11.240 4.105 1.00 0.39 H new ATOM 0 HG SER B 29 10.220 -9.937 6.093 1.00 1.07 H new ATOM 1658 N GLU B 30 8.622 -9.683 1.584 1.00 0.35 N ATOM 1659 CA GLU B 30 8.542 -9.715 0.130 1.00 0.37 C ATOM 1660 C GLU B 30 9.317 -8.542 -0.458 1.00 0.34 C ATOM 1661 O GLU B 30 10.025 -8.671 -1.455 1.00 0.39 O ATOM 1662 CB GLU B 30 7.092 -9.640 -0.308 1.00 0.45 C ATOM 1663 CG GLU B 30 6.921 -9.777 -1.796 1.00 0.68 C ATOM 1664 CD GLU B 30 7.266 -11.154 -2.328 1.00 1.37 C ATOM 1665 OE1 GLU B 30 8.464 -11.505 -2.370 1.00 1.57 O ATOM 1666 OE2 GLU B 30 6.339 -11.882 -2.730 1.00 2.33 O ATOM 0 H GLU B 30 7.716 -9.704 2.052 1.00 0.35 H new ATOM 0 HA GLU B 30 8.977 -10.648 -0.229 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.526 -10.426 0.191 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.669 -8.689 0.015 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.888 -9.546 -2.056 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.549 -9.038 -2.294 1.00 0.68 H new ATOM 1673 N LEU B 31 9.188 -7.402 0.198 1.00 0.28 N ATOM 1674 CA LEU B 31 9.907 -6.204 -0.176 1.00 0.24 C ATOM 1675 C LEU B 31 11.364 -6.362 0.191 1.00 0.25 C ATOM 1676 O LEU B 31 12.271 -6.164 -0.618 1.00 0.26 O ATOM 1677 CB LEU B 31 9.376 -5.009 0.585 1.00 0.20 C ATOM 1678 CG LEU B 31 7.955 -4.532 0.267 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.843 -3.983 -1.140 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.947 -5.628 0.506 1.00 0.24 C ATOM 0 H LEU B 31 8.579 -7.284 1.007 1.00 0.28 H new ATOM 0 HA LEU B 31 9.783 -6.051 -1.248 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.420 -5.243 1.649 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.056 -4.174 0.414 1.00 0.20 H new ATOM 0 HG LEU B 31 7.731 -3.713 0.950 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.819 -3.657 -1.323 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.520 -3.136 -1.255 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.109 -4.760 -1.856 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.948 -5.261 0.272 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.179 -6.481 -0.132 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.985 -5.936 1.551 1.00 0.24 H new ATOM 1692 N GLU B 32 11.544 -6.737 1.447 1.00 0.26 N ATOM 1693 CA GLU B 32 12.858 -6.880 2.076 1.00 0.29 C ATOM 1694 C GLU B 32 13.807 -7.737 1.252 1.00 0.33 C ATOM 1695 O GLU B 32 15.026 -7.621 1.376 1.00 0.38 O ATOM 1696 CB GLU B 32 12.720 -7.498 3.463 1.00 0.29 C ATOM 1697 CG GLU B 32 11.605 -6.905 4.313 1.00 0.26 C ATOM 1698 CD GLU B 32 11.709 -7.328 5.765 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.428 -6.658 6.542 1.00 0.47 O ATOM 1700 OE2 GLU B 32 11.058 -8.322 6.144 1.00 0.59 O ATOM 0 H GLU B 32 10.770 -6.956 2.074 1.00 0.26 H new ATOM 0 HA GLU B 32 13.278 -5.877 2.147 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.546 -8.568 3.354 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.665 -7.382 3.994 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.640 -5.817 4.249 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.640 -7.217 3.913 1.00 0.26 H new ATOM 1707 N GLN B 33 13.236 -8.598 0.435 1.00 0.35 N ATOM 1708 CA GLN B 33 14.005 -9.496 -0.419 1.00 0.40 C ATOM 1709 C GLN B 33 15.050 -8.740 -1.215 1.00 0.39 C ATOM 1710 O GLN B 33 16.239 -9.062 -1.168 1.00 0.48 O ATOM 1711 CB GLN B 33 13.081 -10.224 -1.381 1.00 0.43 C ATOM 1712 CG GLN B 33 11.990 -10.997 -0.693 1.00 0.47 C ATOM 1713 CD GLN B 33 12.528 -12.081 0.215 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.758 -13.212 -0.213 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.713 -11.748 1.477 1.00 0.57 N ATOM 0 H GLN B 33 12.225 -8.699 0.340 1.00 0.35 H new ATOM 0 HA GLN B 33 14.509 -10.214 0.228 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.630 -9.499 -2.059 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.671 -10.908 -1.992 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.376 -10.311 -0.109 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.340 -11.447 -1.443 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.509 -10.798 1.789 1.00 0.57 H new ATOM 0 HE22 GLN B 33 13.060 -12.440 2.141 1.00 0.57 H new ATOM 1724 N TYR B 34 14.605 -7.724 -1.928 1.00 0.32 N ATOM 1725 CA TYR B 34 15.480 -6.992 -2.823 1.00 0.32 C ATOM 1726 C TYR B 34 15.768 -5.583 -2.329 1.00 0.30 C ATOM 1727 O TYR B 34 16.830 -5.033 -2.621 1.00 0.37 O ATOM 1728 CB TYR B 34 14.889 -6.945 -4.232 1.00 0.32 C ATOM 1729 CG TYR B 34 13.383 -7.079 -4.278 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.565 -6.205 -3.584 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.781 -8.073 -5.036 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.203 -6.313 -3.632 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.408 -8.192 -5.090 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.621 -7.306 -4.389 1.00 0.34 C ATOM 1735 OH TYR B 34 9.251 -7.415 -4.449 1.00 0.40 O ATOM 0 H TYR B 34 13.643 -7.386 -1.905 1.00 0.32 H new ATOM 0 HA TYR B 34 16.429 -7.528 -2.847 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.173 -6.003 -4.702 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.332 -7.744 -4.826 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.012 -5.421 -2.992 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.397 -8.764 -5.592 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.585 -5.622 -3.078 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.953 -8.975 -5.678 1.00 0.42 H new ATOM 0 HH TYR B 34 8.844 -6.551 -4.229 1.00 0.40 H new ATOM 1745 N PHE B 35 14.847 -4.991 -1.580 1.00 0.27 N ATOM 1746 CA PHE B 35 15.038 -3.620 -1.138 1.00 0.26 C ATOM 1747 C PHE B 35 14.484 -3.379 0.260 1.00 0.25 C ATOM 1748 O PHE B 35 13.502 -3.988 0.660 1.00 0.25 O ATOM 1749 CB PHE B 35 14.435 -2.626 -2.144 1.00 0.25 C ATOM 1750 CG PHE B 35 12.997 -2.843 -2.516 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.001 -2.814 -1.565 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.646 -3.040 -3.841 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.686 -2.980 -1.915 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.327 -3.213 -4.202 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.344 -3.182 -3.236 1.00 0.18 C ATOM 0 H PHE B 35 13.979 -5.429 -1.272 1.00 0.27 H new ATOM 0 HA PHE B 35 16.114 -3.452 -1.089 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.534 -1.621 -1.733 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.032 -2.657 -3.055 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.260 -2.658 -0.528 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.414 -3.058 -4.600 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.918 -2.953 -1.156 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.065 -3.372 -5.237 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.309 -3.316 -3.513 1.00 0.18 H new ATOM 1765 N THR B 36 15.154 -2.495 0.992 1.00 0.27 N ATOM 1766 CA THR B 36 14.744 -2.063 2.327 1.00 0.27 C ATOM 1767 C THR B 36 15.721 -1.013 2.847 1.00 0.32 C ATOM 1768 O THR B 36 16.893 -1.006 2.474 1.00 0.45 O ATOM 1769 CB THR B 36 14.647 -3.229 3.339 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.451 -4.337 2.911 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.201 -3.659 3.501 1.00 0.27 C ATOM 0 H THR B 36 16.013 -2.050 0.670 1.00 0.27 H new ATOM 0 HA THR B 36 13.743 -1.642 2.232 1.00 0.27 H new ATOM 0 HB THR B 36 15.023 -2.885 4.303 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.379 -5.065 3.563 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.143 -4.480 4.215 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.610 -2.819 3.866 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.809 -3.987 2.538 1.00 0.27 H new ATOM 1779 N ALA B 37 15.225 -0.120 3.692 1.00 0.32 N ATOM 1780 CA ALA B 37 16.027 0.986 4.205 1.00 0.35 C ATOM 1781 C ALA B 37 16.859 0.563 5.398 1.00 0.43 C ATOM 1782 O ALA B 37 17.042 -0.627 5.663 1.00 0.53 O ATOM 1783 CB ALA B 37 15.132 2.143 4.627 1.00 0.29 C ATOM 0 H ALA B 37 14.266 -0.139 4.039 1.00 0.32 H new ATOM 0 HA ALA B 37 16.691 1.299 3.399 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.747 2.959 5.007 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.558 2.491 3.768 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.449 1.809 5.408 1.00 0.29 H new ATOM 1789 N ARG B 38 17.362 1.567 6.100 1.00 0.44 N ATOM 1790 CA ARG B 38 18.067 1.383 7.349 1.00 0.52 C ATOM 1791 C ARG B 38 17.284 0.500 8.318 1.00 0.56 C ATOM 1792 O ARG B 38 17.788 -0.522 8.782 1.00 0.67 O ATOM 1793 CB ARG B 38 18.337 2.755 7.976 1.00 0.57 C ATOM 1794 CG ARG B 38 17.112 3.657 8.062 1.00 0.67 C ATOM 1795 CD ARG B 38 16.604 3.757 9.483 1.00 0.93 C ATOM 1796 NE ARG B 38 17.490 4.551 10.335 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.551 4.442 11.660 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.837 3.522 12.295 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.358 5.239 12.347 1.00 2.94 N ATOM 0 H ARG B 38 17.289 2.542 5.811 1.00 0.44 H new ATOM 0 HA ARG B 38 19.009 0.875 7.143 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.738 2.610 8.979 1.00 0.57 H new ATOM 0 HB3 ARG B 38 19.107 3.262 7.395 1.00 0.57 H new ATOM 0 HG2 ARG B 38 17.363 4.651 7.692 1.00 0.67 H new ATOM 0 HG3 ARG B 38 16.324 3.267 7.418 1.00 0.67 H new ATOM 0 HD2 ARG B 38 15.610 4.204 9.480 1.00 0.93 H new ATOM 0 HD3 ARG B 38 16.502 2.756 9.902 1.00 0.93 H new ATOM 0 HE ARG B 38 18.101 5.232 9.884 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.234 2.890 11.768 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.891 3.446 13.311 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.928 5.931 11.860 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.409 5.160 13.363 1.00 2.94 H new ATOM 1813 N TRP B 39 16.043 0.894 8.581 1.00 0.54 N ATOM 1814 CA TRP B 39 15.175 0.210 9.526 1.00 0.64 C ATOM 1815 C TRP B 39 15.827 0.103 10.901 1.00 0.85 C ATOM 1816 O TRP B 39 16.368 -0.968 11.232 1.00 1.41 O ATOM 1817 CB TRP B 39 14.786 -1.164 8.978 1.00 0.60 C ATOM 1818 CG TRP B 39 13.875 -1.063 7.807 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.917 -0.125 6.831 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.791 -1.929 7.495 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.900 -0.333 5.934 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.201 -1.449 6.316 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.263 -3.064 8.096 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.101 -2.067 5.735 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.177 -3.672 7.514 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.607 -3.178 6.345 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.819 1.116 11.632 1.00 1.45 O ATOM 0 H TRP B 39 15.609 1.705 8.139 1.00 0.54 H new ATOM 0 HA TRP B 39 14.266 0.798 9.652 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.686 -1.707 8.690 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.302 -1.743 9.764 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.645 0.670 6.768 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.698 0.246 5.119 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.697 -3.461 9.002 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.654 -1.679 4.831 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.756 -4.554 7.975 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.757 -3.686 5.914 1.00 0.25 H new