USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 956 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 102 GLN : amide:sc= 0.504 K(o=1.3,f=-5.6!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0.815 USER MOD Set 2.1: A 52 SER OG : rot 54:sc= 1.39 USER MOD Set 2.2: A 120 TYR OH : rot -139:sc= 0.0246 USER MOD Set 3.1: A 39 THR OG1 : rot -160:sc= -0.0356 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 35:sc= 0.0907 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.182 USER MOD Single : A 25 MET CE :methyl -148:sc= -0.139 (180deg=-1.77!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.143 USER MOD Single : A 48 TYR OH : rot -170:sc= 0.688 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -130:sc= -0.263 USER MOD Single : A 58 MET CE :methyl -175:sc= -4.78 (180deg=-4.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-6.8!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 0.0193 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.268 K(o=0.27,f=-3.6!) USER MOD Single : A 69 ASN : amide:sc= -0.071 K(o=-0.071,f=-11!) USER MOD Single : A 73 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.1) USER MOD Single : A 75 THR OG1 : rot 42:sc= 0.0841 USER MOD Single : A 77 MET CE :methyl 178:sc= -0.695 (180deg=-0.705) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -77:sc= 0.401 USER MOD Single : A 83 ASN : amide:sc= -0.0836 K(o=-0.084,f=-1.3) USER MOD Single : A 88 ASN : amide:sc= -0.843 K(o=-0.84,f=-7.8!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 91:sc= 0.099 USER MOD Single : A 101 HIS : no HD1:sc= -1 X(o=-1,f=-1.5) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.52) USER MOD Single : A 122 TYR OH : rot 180:sc= -0.876 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -100:sc= 0.409 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.337 -18.247 -10.947 1.00 0.00 N ATOM 157 CA GLY A 15 7.133 -18.082 -10.154 1.00 0.00 C ATOM 158 C GLY A 15 6.587 -16.669 -10.216 1.00 0.00 C ATOM 159 O GLY A 15 7.350 -15.703 -10.250 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.372 -18.778 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.346 -18.341 -9.117 1.00 0.00 H new ATOM 163 N ARG A 16 5.264 -16.547 -10.233 1.00 0.00 N ATOM 164 CA ARG A 16 4.618 -15.242 -10.295 1.00 0.00 C ATOM 165 C ARG A 16 4.787 -14.488 -8.979 1.00 0.00 C ATOM 166 O ARG A 16 5.166 -15.071 -7.963 1.00 0.00 O ATOM 167 CB ARG A 16 3.131 -15.400 -10.617 1.00 0.00 C ATOM 168 CG ARG A 16 2.779 -15.056 -12.055 1.00 0.00 C ATOM 169 CD ARG A 16 1.617 -15.896 -12.561 1.00 0.00 C ATOM 170 NE ARG A 16 1.384 -15.705 -13.990 1.00 0.00 N ATOM 171 CZ ARG A 16 0.254 -16.040 -14.602 1.00 0.00 C ATOM 172 NH1 ARG A 16 -0.742 -16.580 -13.913 1.00 0.00 N ATOM 173 NH2 ARG A 16 0.118 -15.835 -15.906 1.00 0.00 N ATOM 0 H ARG A 16 4.619 -17.336 -10.205 1.00 0.00 H new ATOM 0 HA ARG A 16 5.095 -14.666 -11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.831 -16.428 -10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.553 -14.762 -9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.523 -13.999 -12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.649 -15.216 -12.692 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.818 -16.949 -12.364 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.714 -15.636 -12.009 1.00 0.00 H new ATOM 0 HE ARG A 16 2.130 -15.291 -14.549 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.641 -16.739 -12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.609 -16.836 -14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.882 -15.420 -16.439 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.750 -16.093 -16.375 1.00 0.00 H new ATOM 187 N SER A 17 4.503 -13.190 -9.006 1.00 0.00 N ATOM 188 CA SER A 17 4.627 -12.356 -7.816 1.00 0.00 C ATOM 189 C SER A 17 3.661 -11.177 -7.876 1.00 0.00 C ATOM 190 O SER A 17 3.844 -10.249 -8.664 1.00 0.00 O ATOM 191 CB SER A 17 6.063 -11.846 -7.673 1.00 0.00 C ATOM 192 OG SER A 17 6.823 -12.693 -6.829 1.00 0.00 O ATOM 0 H SER A 17 4.186 -12.693 -9.838 1.00 0.00 H new ATOM 0 HA SER A 17 4.376 -12.965 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.532 -11.790 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.054 -10.835 -7.266 1.00 0.00 H new ATOM 0 HG SER A 17 6.539 -13.622 -6.956 1.00 0.00 H new ATOM 198 N TRP A 18 2.631 -11.222 -7.038 1.00 0.00 N ATOM 199 CA TRP A 18 1.635 -10.158 -6.994 1.00 0.00 C ATOM 200 C TRP A 18 2.300 -8.795 -6.832 1.00 0.00 C ATOM 201 O TRP A 18 3.457 -8.704 -6.421 1.00 0.00 O ATOM 202 CB TRP A 18 0.651 -10.399 -5.847 1.00 0.00 C ATOM 203 CG TRP A 18 -0.233 -11.589 -6.064 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.087 -12.899 -5.846 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.583 -11.578 -6.541 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.982 -13.703 -6.160 1.00 0.00 N ATOM 207 CE2 TRP A 18 -2.019 -12.917 -6.588 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.466 -10.568 -6.932 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.298 -13.268 -7.011 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.735 -10.919 -7.352 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.142 -12.259 -7.388 1.00 0.00 C ATOM 0 H TRP A 18 2.464 -11.984 -6.380 1.00 0.00 H new ATOM 0 HA TRP A 18 1.090 -10.165 -7.938 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.210 -10.534 -4.921 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.030 -9.513 -5.718 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.040 -13.251 -5.480 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.000 -14.720 -6.086 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.162 -9.532 -6.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.613 -14.301 -7.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.425 -10.147 -7.658 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.141 -12.500 -7.720 1.00 0.00 H new ATOM 222 N CYS A 19 1.562 -7.740 -7.158 1.00 0.00 N ATOM 223 CA CYS A 19 2.081 -6.381 -7.049 1.00 0.00 C ATOM 224 C CYS A 19 0.960 -5.357 -7.194 1.00 0.00 C ATOM 225 O CYS A 19 -0.213 -5.716 -7.306 1.00 0.00 O ATOM 226 CB CYS A 19 3.154 -6.136 -8.111 1.00 0.00 C ATOM 227 SG CYS A 19 2.509 -6.019 -9.797 1.00 0.00 S ATOM 0 H CYS A 19 0.603 -7.799 -7.500 1.00 0.00 H new ATOM 0 HA CYS A 19 2.526 -6.267 -6.061 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.684 -5.214 -7.871 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.884 -6.944 -8.068 1.00 0.00 H new ATOM 0 HG CYS A 19 3.448 -5.602 -10.593 1.00 0.00 H new ATOM 233 N LEU A 20 1.328 -4.081 -7.191 1.00 0.00 N ATOM 234 CA LEU A 20 0.354 -3.003 -7.321 1.00 0.00 C ATOM 235 C LEU A 20 0.618 -2.178 -8.576 1.00 0.00 C ATOM 236 O LEU A 20 1.107 -1.051 -8.499 1.00 0.00 O ATOM 237 CB LEU A 20 0.393 -2.101 -6.086 1.00 0.00 C ATOM 238 CG LEU A 20 -0.017 -2.753 -4.765 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.147 -1.773 -3.613 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.452 -3.255 -4.841 1.00 0.00 C ATOM 0 H LEU A 20 2.294 -3.767 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.636 -3.451 -7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.405 -1.712 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.260 -1.246 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 20 0.636 -3.607 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.149 -2.254 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.190 -1.462 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.481 -0.899 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.727 -3.716 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.120 -2.418 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.538 -3.991 -5.640 1.00 0.00 H new ATOM 252 N ARG A 21 0.290 -2.747 -9.732 1.00 0.00 N ATOM 253 CA ARG A 21 0.491 -2.063 -11.004 1.00 0.00 C ATOM 254 C ARG A 21 -0.128 -0.669 -10.976 1.00 0.00 C ATOM 255 O ARG A 21 -1.348 -0.522 -10.898 1.00 0.00 O ATOM 256 CB ARG A 21 -0.115 -2.879 -12.147 1.00 0.00 C ATOM 257 CG ARG A 21 0.309 -2.403 -13.527 1.00 0.00 C ATOM 258 CD ARG A 21 0.433 -3.563 -14.503 1.00 0.00 C ATOM 259 NE ARG A 21 -0.091 -3.226 -15.823 1.00 0.00 N ATOM 260 CZ ARG A 21 0.230 -3.884 -16.931 1.00 0.00 C ATOM 261 NH1 ARG A 21 1.069 -4.909 -16.878 1.00 0.00 N ATOM 262 NH2 ARG A 21 -0.289 -3.517 -18.096 1.00 0.00 N ATOM 0 H ARG A 21 -0.116 -3.679 -9.814 1.00 0.00 H new ATOM 0 HA ARG A 21 1.564 -1.962 -11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.172 -3.924 -12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.202 -2.837 -12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.419 -1.685 -13.905 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.264 -1.882 -13.456 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.480 -3.852 -14.592 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.103 -4.427 -14.110 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.739 -2.442 -15.899 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.470 -5.194 -15.985 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.314 -5.412 -17.731 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.935 -2.729 -18.141 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.042 -4.023 -18.946 1.00 0.00 H new ATOM 276 N ARG A 22 0.721 0.351 -11.040 1.00 0.00 N ATOM 277 CA ARG A 22 0.258 1.734 -11.020 1.00 0.00 C ATOM 278 C ARG A 22 -0.695 2.004 -12.181 1.00 0.00 C ATOM 279 O ARG A 22 -0.368 1.744 -13.339 1.00 0.00 O ATOM 280 CB ARG A 22 1.447 2.694 -11.087 1.00 0.00 C ATOM 281 CG ARG A 22 1.051 4.160 -11.026 1.00 0.00 C ATOM 282 CD ARG A 22 1.000 4.663 -9.592 1.00 0.00 C ATOM 283 NE ARG A 22 1.537 6.016 -9.467 1.00 0.00 N ATOM 284 CZ ARG A 22 0.931 7.094 -9.953 1.00 0.00 C ATOM 285 NH1 ARG A 22 -0.225 6.978 -10.591 1.00 0.00 N ATOM 286 NH2 ARG A 22 1.483 8.291 -9.799 1.00 0.00 N ATOM 0 H ARG A 22 1.733 0.246 -11.106 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.279 1.898 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.126 2.475 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.997 2.513 -12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.764 4.755 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.076 4.295 -11.495 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.031 4.648 -9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.566 3.988 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 22 2.425 6.140 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.652 6.059 -10.710 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.688 7.807 -10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.372 8.383 -9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.018 9.119 -10.172 1.00 0.00 H new ATOM 300 N VAL A 23 -1.874 2.528 -11.862 1.00 0.00 N ATOM 301 CA VAL A 23 -2.874 2.834 -12.878 1.00 0.00 C ATOM 302 C VAL A 23 -2.508 4.099 -13.645 1.00 0.00 C ATOM 303 O VAL A 23 -2.360 5.172 -13.061 1.00 0.00 O ATOM 304 CB VAL A 23 -4.271 3.012 -12.254 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.295 3.353 -13.326 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.679 1.758 -11.496 1.00 0.00 C ATOM 0 H VAL A 23 -2.160 2.749 -10.908 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.896 1.989 -13.566 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.231 3.840 -11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.276 3.475 -12.867 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.008 4.281 -13.821 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.336 2.548 -14.060 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.668 1.901 -11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.703 0.910 -12.181 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.959 1.563 -10.702 1.00 0.00 H new ATOM 316 N GLY A 24 -2.363 3.966 -14.961 1.00 0.00 N ATOM 317 CA GLY A 24 -2.016 5.107 -15.788 1.00 0.00 C ATOM 318 C GLY A 24 -0.523 5.212 -16.033 1.00 0.00 C ATOM 319 O GLY A 24 -0.089 5.836 -17.001 1.00 0.00 O ATOM 0 H GLY A 24 -2.480 3.089 -15.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.534 5.030 -16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.368 6.020 -15.308 1.00 0.00 H new ATOM 323 N MET A 25 0.263 4.602 -15.152 1.00 0.00 N ATOM 324 CA MET A 25 1.716 4.631 -15.278 1.00 0.00 C ATOM 325 C MET A 25 2.283 3.217 -15.355 1.00 0.00 C ATOM 326 O MET A 25 1.773 2.298 -14.714 1.00 0.00 O ATOM 327 CB MET A 25 2.337 5.378 -14.096 1.00 0.00 C ATOM 328 CG MET A 25 3.223 6.541 -14.511 1.00 0.00 C ATOM 329 SD MET A 25 4.652 6.745 -13.430 1.00 0.00 S ATOM 330 CE MET A 25 3.858 6.801 -11.826 1.00 0.00 C ATOM 0 H MET A 25 -0.081 4.082 -14.344 1.00 0.00 H new ATOM 0 HA MET A 25 1.965 5.155 -16.201 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.540 5.751 -13.453 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.925 4.678 -13.502 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.565 6.385 -15.534 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.636 7.459 -14.508 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.428 7.449 -11.160 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.846 7.192 -11.934 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.815 5.796 -11.406 1.00 0.00 H new ATOM 340 N SER A 26 3.340 3.050 -16.144 1.00 0.00 N ATOM 341 CA SER A 26 3.974 1.747 -16.307 1.00 0.00 C ATOM 342 C SER A 26 5.168 1.602 -15.368 1.00 0.00 C ATOM 343 O SER A 26 6.096 0.840 -15.640 1.00 0.00 O ATOM 344 CB SER A 26 4.423 1.553 -17.756 1.00 0.00 C ATOM 345 OG SER A 26 3.359 1.078 -18.562 1.00 0.00 O ATOM 0 H SER A 26 3.775 3.801 -16.680 1.00 0.00 H new ATOM 0 HA SER A 26 3.242 0.980 -16.055 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.791 2.498 -18.155 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.253 0.847 -17.791 1.00 0.00 H new ATOM 0 HG SER A 26 3.672 0.964 -19.484 1.00 0.00 H new ATOM 351 N ALA A 27 5.136 2.338 -14.262 1.00 0.00 N ATOM 352 CA ALA A 27 6.213 2.290 -13.282 1.00 0.00 C ATOM 353 C ALA A 27 5.663 2.317 -11.860 1.00 0.00 C ATOM 354 O ALA A 27 4.450 2.323 -11.653 1.00 0.00 O ATOM 355 CB ALA A 27 7.176 3.448 -13.499 1.00 0.00 C ATOM 0 H ALA A 27 4.376 2.974 -14.023 1.00 0.00 H new ATOM 0 HA ALA A 27 6.752 1.353 -13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.976 3.400 -12.760 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.603 3.384 -14.500 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.640 4.391 -13.393 1.00 0.00 H new ATOM 361 N GLY A 28 6.564 2.331 -10.882 1.00 0.00 N ATOM 362 CA GLY A 28 6.148 2.356 -9.491 1.00 0.00 C ATOM 363 C GLY A 28 5.347 1.129 -9.104 1.00 0.00 C ATOM 364 O GLY A 28 4.385 1.223 -8.341 1.00 0.00 O ATOM 0 H GLY A 28 7.574 2.325 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.029 2.427 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.550 3.249 -9.310 1.00 0.00 H new ATOM 368 N TRP A 29 5.742 -0.024 -9.631 1.00 0.00 N ATOM 369 CA TRP A 29 5.052 -1.275 -9.336 1.00 0.00 C ATOM 370 C TRP A 29 5.532 -1.863 -8.014 1.00 0.00 C ATOM 371 O TRP A 29 6.652 -2.366 -7.917 1.00 0.00 O ATOM 372 CB TRP A 29 5.273 -2.282 -10.466 1.00 0.00 C ATOM 373 CG TRP A 29 4.616 -1.884 -11.753 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.977 -0.706 -12.017 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.531 -2.666 -12.949 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.500 -0.709 -13.306 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.828 -1.899 -13.899 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.982 -3.938 -13.312 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.566 -2.365 -15.185 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.721 -4.399 -14.588 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.019 -3.614 -15.512 1.00 0.00 C ATOM 0 H TRP A 29 6.536 -0.119 -10.264 1.00 0.00 H new ATOM 0 HA TRP A 29 3.986 -1.062 -9.252 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.344 -2.400 -10.634 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.890 -3.254 -10.156 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.863 0.108 -11.316 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.985 0.052 -13.749 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.525 -4.550 -12.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.025 -1.762 -15.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.064 -5.381 -14.878 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.832 -4.002 -16.502 1.00 0.00 H new ATOM 392 N LEU A 30 4.678 -1.797 -6.998 1.00 0.00 N ATOM 393 CA LEU A 30 5.015 -2.324 -5.680 1.00 0.00 C ATOM 394 C LEU A 30 4.926 -3.847 -5.663 1.00 0.00 C ATOM 395 O LEU A 30 3.836 -4.416 -5.738 1.00 0.00 O ATOM 396 CB LEU A 30 4.083 -1.735 -4.620 1.00 0.00 C ATOM 397 CG LEU A 30 3.758 -0.248 -4.763 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.711 0.171 -3.743 1.00 0.00 C ATOM 399 CD2 LEU A 30 5.019 0.590 -4.610 1.00 0.00 C ATOM 0 H LEU A 30 3.748 -1.384 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 30 6.041 -2.036 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.147 -2.294 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.533 -1.895 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 30 3.351 -0.079 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.493 1.232 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.800 -0.406 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.089 -0.013 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.769 1.646 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.454 0.416 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.738 0.309 -5.380 1.00 0.00 H new ATOM 411 N LEU A 31 6.078 -4.500 -5.562 1.00 0.00 N ATOM 412 CA LEU A 31 6.130 -5.958 -5.533 1.00 0.00 C ATOM 413 C LEU A 31 5.586 -6.496 -4.213 1.00 0.00 C ATOM 414 O LEU A 31 5.871 -5.953 -3.144 1.00 0.00 O ATOM 415 CB LEU A 31 7.567 -6.441 -5.740 1.00 0.00 C ATOM 416 CG LEU A 31 7.790 -7.950 -5.635 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.520 -8.623 -6.972 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.205 -8.248 -5.162 1.00 0.00 C ATOM 0 H LEU A 31 6.988 -4.044 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 31 5.506 -6.335 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.901 -6.112 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.204 -5.948 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 31 7.091 -8.352 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.684 -9.697 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.488 -8.438 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.194 -8.217 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.346 -9.327 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.921 -7.833 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.363 -7.798 -4.182 1.00 0.00 H new ATOM 430 N LEU A 32 4.804 -7.567 -4.294 1.00 0.00 N ATOM 431 CA LEU A 32 4.222 -8.180 -3.106 1.00 0.00 C ATOM 432 C LEU A 32 4.727 -9.609 -2.927 1.00 0.00 C ATOM 433 O LEU A 32 4.006 -10.569 -3.197 1.00 0.00 O ATOM 434 CB LEU A 32 2.695 -8.175 -3.201 1.00 0.00 C ATOM 435 CG LEU A 32 2.027 -6.800 -3.186 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.621 -6.883 -3.760 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.995 -6.237 -1.772 1.00 0.00 C ATOM 0 H LEU A 32 4.559 -8.028 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 32 4.528 -7.595 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.406 -8.687 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.297 -8.759 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 32 2.613 -6.126 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.161 -5.895 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.668 -7.242 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.024 -7.572 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.516 -5.258 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.433 -6.910 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.013 -6.139 -1.396 1.00 0.00 H new ATOM 449 N GLU A 33 5.968 -9.740 -2.470 1.00 0.00 N ATOM 450 CA GLU A 33 6.568 -11.052 -2.255 1.00 0.00 C ATOM 451 C GLU A 33 5.824 -11.817 -1.164 1.00 0.00 C ATOM 452 O GLU A 33 5.284 -11.222 -0.232 1.00 0.00 O ATOM 453 CB GLU A 33 8.043 -10.907 -1.877 1.00 0.00 C ATOM 454 CG GLU A 33 8.972 -11.778 -2.706 1.00 0.00 C ATOM 455 CD GLU A 33 9.428 -13.018 -1.961 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.318 -12.897 -1.094 1.00 0.00 O ATOM 457 OE2 GLU A 33 8.892 -14.110 -2.245 1.00 0.00 O ATOM 0 H GLU A 33 6.577 -8.955 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 33 6.493 -11.615 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.338 -9.864 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.166 -11.159 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.463 -12.076 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.844 -11.195 -3.001 1.00 0.00 H new ATOM 464 N ASP A 34 5.801 -13.140 -1.289 1.00 0.00 N ATOM 465 CA ASP A 34 5.125 -13.988 -0.314 1.00 0.00 C ATOM 466 C ASP A 34 5.879 -13.998 1.012 1.00 0.00 C ATOM 467 O ASP A 34 7.078 -14.267 1.054 1.00 0.00 O ATOM 468 CB ASP A 34 4.994 -15.414 -0.851 1.00 0.00 C ATOM 469 CG ASP A 34 4.712 -16.422 0.245 1.00 0.00 C ATOM 470 OD1 ASP A 34 3.533 -16.560 0.635 1.00 0.00 O ATOM 471 OD2 ASP A 34 5.669 -17.073 0.712 1.00 0.00 O ATOM 0 H ASP A 34 6.243 -13.648 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 34 4.129 -13.580 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.192 -15.449 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.913 -15.691 -1.367 1.00 0.00 H new ATOM 476 N GLY A 35 5.166 -13.702 2.095 1.00 0.00 N ATOM 477 CA GLY A 35 5.784 -13.682 3.408 1.00 0.00 C ATOM 478 C GLY A 35 6.600 -12.427 3.645 1.00 0.00 C ATOM 479 O GLY A 35 7.431 -12.381 4.553 1.00 0.00 O ATOM 0 H GLY A 35 4.171 -13.476 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.010 -13.758 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.427 -14.556 3.517 1.00 0.00 H new ATOM 483 N CYS A 36 6.366 -11.407 2.826 1.00 0.00 N ATOM 484 CA CYS A 36 7.089 -10.146 2.949 1.00 0.00 C ATOM 485 C CYS A 36 6.121 -8.980 3.119 1.00 0.00 C ATOM 486 O CYS A 36 5.328 -8.685 2.225 1.00 0.00 O ATOM 487 CB CYS A 36 7.972 -9.919 1.722 1.00 0.00 C ATOM 488 SG CYS A 36 9.474 -10.925 1.696 1.00 0.00 S ATOM 0 H CYS A 36 5.682 -11.429 2.070 1.00 0.00 H new ATOM 0 HA CYS A 36 7.721 -10.202 3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.390 -10.131 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.252 -8.866 1.679 1.00 0.00 H new ATOM 0 HG CYS A 36 10.153 -10.663 0.619 1.00 0.00 H new ATOM 494 N GLU A 37 6.193 -8.321 4.271 1.00 0.00 N ATOM 495 CA GLU A 37 5.320 -7.188 4.558 1.00 0.00 C ATOM 496 C GLU A 37 5.560 -6.053 3.566 1.00 0.00 C ATOM 497 O GLU A 37 6.689 -5.817 3.135 1.00 0.00 O ATOM 498 CB GLU A 37 5.548 -6.689 5.986 1.00 0.00 C ATOM 499 CG GLU A 37 4.545 -7.234 6.988 1.00 0.00 C ATOM 500 CD GLU A 37 5.131 -8.321 7.868 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.815 -7.979 8.856 1.00 0.00 O ATOM 502 OE2 GLU A 37 4.906 -9.512 7.570 1.00 0.00 O ATOM 0 H GLU A 37 6.846 -8.551 5.020 1.00 0.00 H new ATOM 0 HA GLU A 37 4.287 -7.523 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.553 -6.967 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.501 -5.600 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.184 -6.419 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.682 -7.631 6.453 1.00 0.00 H new ATOM 509 N VAL A 38 4.489 -5.351 3.208 1.00 0.00 N ATOM 510 CA VAL A 38 4.581 -4.240 2.269 1.00 0.00 C ATOM 511 C VAL A 38 3.840 -3.015 2.792 1.00 0.00 C ATOM 512 O VAL A 38 2.618 -2.919 2.678 1.00 0.00 O ATOM 513 CB VAL A 38 4.010 -4.622 0.890 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.095 -3.444 -0.068 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.742 -5.832 0.327 1.00 0.00 C ATOM 0 H VAL A 38 3.547 -5.533 3.555 1.00 0.00 H new ATOM 0 HA VAL A 38 5.639 -4.002 2.163 1.00 0.00 H new ATOM 0 HB VAL A 38 2.959 -4.886 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.687 -3.733 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.522 -2.607 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.137 -3.146 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.326 -6.088 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.801 -5.599 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.624 -6.677 1.005 1.00 0.00 H new ATOM 525 N THR A 39 4.589 -2.078 3.366 1.00 0.00 N ATOM 526 CA THR A 39 4.003 -0.858 3.908 1.00 0.00 C ATOM 527 C THR A 39 4.214 0.319 2.963 1.00 0.00 C ATOM 528 O THR A 39 5.263 0.440 2.330 1.00 0.00 O ATOM 529 CB THR A 39 4.602 -0.511 5.284 1.00 0.00 C ATOM 530 OG1 THR A 39 5.961 -0.087 5.134 1.00 0.00 O ATOM 531 CG2 THR A 39 4.539 -1.710 6.219 1.00 0.00 C ATOM 0 H THR A 39 5.602 -2.141 3.467 1.00 0.00 H new ATOM 0 HA THR A 39 2.935 -1.043 4.021 1.00 0.00 H new ATOM 0 HB THR A 39 4.016 0.299 5.718 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.427 -0.173 5.992 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.968 -1.441 7.185 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.500 -2.012 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.104 -2.537 5.789 1.00 0.00 H new ATOM 539 N VAL A 40 3.211 1.187 2.873 1.00 0.00 N ATOM 540 CA VAL A 40 3.287 2.357 2.006 1.00 0.00 C ATOM 541 C VAL A 40 3.109 3.644 2.803 1.00 0.00 C ATOM 542 O VAL A 40 2.294 3.709 3.723 1.00 0.00 O ATOM 543 CB VAL A 40 2.223 2.302 0.895 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.416 3.448 -0.087 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.269 0.962 0.177 1.00 0.00 C ATOM 0 H VAL A 40 2.336 1.102 3.390 1.00 0.00 H new ATOM 0 HA VAL A 40 4.277 2.350 1.550 1.00 0.00 H new ATOM 0 HB VAL A 40 1.240 2.409 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.655 3.392 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.327 4.398 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.404 3.376 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.510 0.942 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.253 0.822 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.077 0.160 0.890 1.00 0.00 H new ATOM 555 N GLY A 41 3.878 4.668 2.444 1.00 0.00 N ATOM 556 CA GLY A 41 3.789 5.940 3.136 1.00 0.00 C ATOM 557 C GLY A 41 5.012 6.808 2.913 1.00 0.00 C ATOM 558 O GLY A 41 5.950 6.404 2.226 1.00 0.00 O ATOM 0 H GLY A 41 4.561 4.639 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.902 6.474 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.664 5.761 4.204 1.00 0.00 H new ATOM 562 N ARG A 42 5.002 8.003 3.494 1.00 0.00 N ATOM 563 CA ARG A 42 6.118 8.931 3.353 1.00 0.00 C ATOM 564 C ARG A 42 6.735 9.249 4.711 1.00 0.00 C ATOM 565 O ARG A 42 7.129 10.384 4.975 1.00 0.00 O ATOM 566 CB ARG A 42 5.652 10.222 2.677 1.00 0.00 C ATOM 567 CG ARG A 42 4.638 11.005 3.494 1.00 0.00 C ATOM 568 CD ARG A 42 4.449 12.412 2.948 1.00 0.00 C ATOM 569 NE ARG A 42 5.451 13.339 3.467 1.00 0.00 N ATOM 570 CZ ARG A 42 5.313 14.660 3.439 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.221 15.206 2.921 1.00 0.00 N ATOM 572 NH2 ARG A 42 6.269 15.438 3.932 1.00 0.00 N ATOM 0 H ARG A 42 4.233 8.352 4.067 1.00 0.00 H new ATOM 0 HA ARG A 42 6.877 8.457 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.518 10.855 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.215 9.978 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.683 10.480 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.968 11.058 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.505 12.389 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.453 12.771 3.208 1.00 0.00 H new ATOM 0 HE ARG A 42 6.303 12.951 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.484 14.611 2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.118 16.221 2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.110 15.022 4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.163 16.452 3.910 1.00 0.00 H new ATOM 586 N GLY A 43 6.817 8.237 5.570 1.00 0.00 N ATOM 587 CA GLY A 43 7.387 8.429 6.891 1.00 0.00 C ATOM 588 C GLY A 43 8.842 8.013 6.960 1.00 0.00 C ATOM 589 O GLY A 43 9.382 7.794 8.045 1.00 0.00 O ATOM 0 H GLY A 43 6.499 7.288 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.299 9.478 7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.813 7.854 7.618 1.00 0.00 H new ATOM 593 N PHE A 44 9.480 7.901 5.800 1.00 0.00 N ATOM 594 CA PHE A 44 10.882 7.505 5.733 1.00 0.00 C ATOM 595 C PHE A 44 11.122 6.219 6.519 1.00 0.00 C ATOM 596 O PHE A 44 12.174 6.039 7.130 1.00 0.00 O ATOM 597 CB PHE A 44 11.776 8.622 6.275 1.00 0.00 C ATOM 598 CG PHE A 44 12.982 8.892 5.422 1.00 0.00 C ATOM 599 CD1 PHE A 44 13.983 7.943 5.294 1.00 0.00 C ATOM 600 CD2 PHE A 44 13.114 10.095 4.748 1.00 0.00 C ATOM 601 CE1 PHE A 44 15.094 8.190 4.510 1.00 0.00 C ATOM 602 CE2 PHE A 44 14.223 10.347 3.962 1.00 0.00 C ATOM 603 CZ PHE A 44 15.214 9.393 3.842 1.00 0.00 C ATOM 0 H PHE A 44 9.048 8.079 4.893 1.00 0.00 H new ATOM 0 HA PHE A 44 11.133 7.323 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.189 9.537 6.361 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.104 8.358 7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.894 7.000 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.342 10.845 4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.868 7.443 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.314 11.289 3.442 1.00 0.00 H new ATOM 0 HZ PHE A 44 16.081 9.587 3.227 1.00 0.00 H new ATOM 613 N GLY A 45 10.136 5.327 6.497 1.00 0.00 N ATOM 614 CA GLY A 45 10.259 4.069 7.212 1.00 0.00 C ATOM 615 C GLY A 45 9.317 3.007 6.680 1.00 0.00 C ATOM 616 O GLY A 45 8.794 2.194 7.442 1.00 0.00 O ATOM 0 H GLY A 45 9.255 5.452 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.286 3.711 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.055 4.234 8.270 1.00 0.00 H new ATOM 620 N VAL A 46 9.099 3.013 5.369 1.00 0.00 N ATOM 621 CA VAL A 46 8.214 2.043 4.736 1.00 0.00 C ATOM 622 C VAL A 46 8.902 1.354 3.563 1.00 0.00 C ATOM 623 O VAL A 46 9.796 1.920 2.933 1.00 0.00 O ATOM 624 CB VAL A 46 6.917 2.709 4.238 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.060 3.155 5.412 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.238 3.883 3.325 1.00 0.00 C ATOM 0 H VAL A 46 9.524 3.680 4.724 1.00 0.00 H new ATOM 0 HA VAL A 46 7.965 1.300 5.494 1.00 0.00 H new ATOM 0 HB VAL A 46 6.350 1.976 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.149 3.623 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.801 2.290 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.616 3.872 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.310 4.342 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.826 4.619 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.807 3.530 2.465 1.00 0.00 H new ATOM 636 N THR A 47 8.479 0.127 3.274 1.00 0.00 N ATOM 637 CA THR A 47 9.054 -0.641 2.177 1.00 0.00 C ATOM 638 C THR A 47 8.979 0.133 0.866 1.00 0.00 C ATOM 639 O THR A 47 9.855 0.008 0.009 1.00 0.00 O ATOM 640 CB THR A 47 8.340 -1.994 2.003 1.00 0.00 C ATOM 641 OG1 THR A 47 8.244 -2.663 3.265 1.00 0.00 O ATOM 642 CG2 THR A 47 9.084 -2.875 1.011 1.00 0.00 C ATOM 0 H THR A 47 7.740 -0.356 3.785 1.00 0.00 H new ATOM 0 HA THR A 47 10.099 -0.821 2.431 1.00 0.00 H new ATOM 0 HB THR A 47 7.339 -1.804 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.787 -3.522 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.561 -3.825 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.129 -2.375 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.096 -3.057 1.373 1.00 0.00 H new ATOM 650 N TYR A 48 7.929 0.933 0.715 1.00 0.00 N ATOM 651 CA TYR A 48 7.740 1.726 -0.493 1.00 0.00 C ATOM 652 C TYR A 48 7.390 3.170 -0.148 1.00 0.00 C ATOM 653 O TYR A 48 6.312 3.450 0.375 1.00 0.00 O ATOM 654 CB TYR A 48 6.637 1.116 -1.361 1.00 0.00 C ATOM 655 CG TYR A 48 6.993 -0.240 -1.928 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.098 -0.401 -2.754 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.224 -1.360 -1.635 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.426 -1.638 -3.275 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.546 -2.601 -2.150 1.00 0.00 C ATOM 660 CZ TYR A 48 7.647 -2.735 -2.970 1.00 0.00 C ATOM 661 OH TYR A 48 7.972 -3.969 -3.485 1.00 0.00 O ATOM 0 H TYR A 48 7.196 1.049 1.415 1.00 0.00 H new ATOM 0 HA TYR A 48 8.677 1.721 -1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.728 1.025 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.414 1.797 -2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.711 0.455 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.361 -1.259 -0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.287 -1.746 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.939 -3.462 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 48 7.243 -4.600 -3.308 1.00 0.00 H new ATOM 671 N GLN A 49 8.310 4.082 -0.446 1.00 0.00 N ATOM 672 CA GLN A 49 8.099 5.498 -0.167 1.00 0.00 C ATOM 673 C GLN A 49 7.454 6.197 -1.358 1.00 0.00 C ATOM 674 O GLN A 49 7.802 5.934 -2.510 1.00 0.00 O ATOM 675 CB GLN A 49 9.427 6.174 0.178 1.00 0.00 C ATOM 676 CG GLN A 49 9.315 7.680 0.354 1.00 0.00 C ATOM 677 CD GLN A 49 10.659 8.341 0.595 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.704 7.800 0.232 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.638 9.517 1.210 1.00 0.00 N ATOM 0 H GLN A 49 9.207 3.866 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 49 7.426 5.578 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.820 5.737 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.149 5.961 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.856 8.113 -0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.653 7.896 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.749 9.929 1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.511 10.009 1.399 1.00 0.00 H new ATOM 688 N LEU A 50 6.511 7.089 -1.075 1.00 0.00 N ATOM 689 CA LEU A 50 5.815 7.827 -2.123 1.00 0.00 C ATOM 690 C LEU A 50 5.793 9.321 -1.815 1.00 0.00 C ATOM 691 O LEU A 50 5.435 9.732 -0.711 1.00 0.00 O ATOM 692 CB LEU A 50 4.386 7.305 -2.279 1.00 0.00 C ATOM 693 CG LEU A 50 4.231 5.786 -2.356 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.776 5.409 -2.589 1.00 0.00 C ATOM 695 CD2 LEU A 50 5.115 5.214 -3.455 1.00 0.00 C ATOM 0 H LEU A 50 6.211 7.319 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 50 6.354 7.676 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.794 7.668 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.958 7.740 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 50 4.548 5.359 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.685 4.324 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.167 5.785 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.432 5.847 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.991 4.132 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.830 5.647 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.158 5.453 -3.245 1.00 0.00 H new ATOM 707 N VAL A 51 6.175 10.129 -2.798 1.00 0.00 N ATOM 708 CA VAL A 51 6.195 11.578 -2.633 1.00 0.00 C ATOM 709 C VAL A 51 5.667 12.280 -3.879 1.00 0.00 C ATOM 710 O VAL A 51 5.902 11.834 -5.002 1.00 0.00 O ATOM 711 CB VAL A 51 7.616 12.088 -2.333 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.617 13.601 -2.170 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.174 11.410 -1.090 1.00 0.00 C ATOM 0 H VAL A 51 6.475 9.805 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 51 5.548 11.810 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 51 8.259 11.836 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.630 13.943 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.261 14.066 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.960 13.879 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.179 11.782 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.532 11.629 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.211 10.332 -1.249 1.00 0.00 H new ATOM 723 N SER A 52 4.954 13.383 -3.673 1.00 0.00 N ATOM 724 CA SER A 52 4.390 14.146 -4.780 1.00 0.00 C ATOM 725 C SER A 52 4.853 15.599 -4.729 1.00 0.00 C ATOM 726 O SER A 52 5.658 15.978 -3.878 1.00 0.00 O ATOM 727 CB SER A 52 2.862 14.084 -4.743 1.00 0.00 C ATOM 728 OG SER A 52 2.391 12.825 -5.192 1.00 0.00 O ATOM 0 H SER A 52 4.753 13.768 -2.750 1.00 0.00 H new ATOM 0 HA SER A 52 4.742 13.703 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.512 14.265 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.448 14.875 -5.368 1.00 0.00 H new ATOM 0 HG SER A 52 2.818 12.112 -4.673 1.00 0.00 H new ATOM 734 N LYS A 53 4.338 16.410 -5.647 1.00 0.00 N ATOM 735 CA LYS A 53 4.695 17.822 -5.709 1.00 0.00 C ATOM 736 C LYS A 53 3.494 18.702 -5.379 1.00 0.00 C ATOM 737 O LYS A 53 3.646 19.799 -4.840 1.00 0.00 O ATOM 738 CB LYS A 53 5.232 18.173 -7.099 1.00 0.00 C ATOM 739 CG LYS A 53 6.599 17.579 -7.391 1.00 0.00 C ATOM 740 CD LYS A 53 7.673 18.190 -6.506 1.00 0.00 C ATOM 741 CE LYS A 53 8.605 17.127 -5.946 1.00 0.00 C ATOM 742 NZ LYS A 53 9.835 16.977 -6.771 1.00 0.00 N ATOM 0 H LYS A 53 3.671 16.113 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 53 5.473 18.007 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.525 17.823 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.288 19.257 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.569 16.500 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.852 17.744 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.250 18.915 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.204 18.733 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.882 17.389 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.081 16.173 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.444 16.243 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.572 16.702 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.349 17.881 -6.795 1.00 0.00 H new ATOM 756 N ILE A 54 2.302 18.215 -5.705 1.00 0.00 N ATOM 757 CA ILE A 54 1.075 18.957 -5.441 1.00 0.00 C ATOM 758 C ILE A 54 0.650 18.814 -3.983 1.00 0.00 C ATOM 759 O ILE A 54 0.750 19.760 -3.201 1.00 0.00 O ATOM 760 CB ILE A 54 -0.076 18.484 -6.348 1.00 0.00 C ATOM 761 CG1 ILE A 54 0.307 18.648 -7.821 1.00 0.00 C ATOM 762 CG2 ILE A 54 -1.348 19.258 -6.037 1.00 0.00 C ATOM 763 CD1 ILE A 54 1.007 17.439 -8.401 1.00 0.00 C ATOM 0 H ILE A 54 2.159 17.310 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 54 1.287 20.004 -5.655 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.261 17.427 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.593 18.850 -8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.955 19.518 -7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.152 18.912 -6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.627 19.096 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.177 20.321 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.249 17.626 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.925 17.248 -7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.352 16.570 -8.329 1.00 0.00 H new ATOM 775 N CYS A 55 0.176 17.626 -3.625 1.00 0.00 N ATOM 776 CA CYS A 55 -0.264 17.358 -2.260 1.00 0.00 C ATOM 777 C CYS A 55 0.400 16.099 -1.712 1.00 0.00 C ATOM 778 O CYS A 55 -0.224 15.045 -1.583 1.00 0.00 O ATOM 779 CB CYS A 55 -1.785 17.209 -2.213 1.00 0.00 C ATOM 780 SG CYS A 55 -2.662 18.726 -1.766 1.00 0.00 S ATOM 0 H CYS A 55 0.086 16.833 -4.260 1.00 0.00 H new ATOM 0 HA CYS A 55 0.031 18.202 -1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.137 16.873 -3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.041 16.429 -1.496 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.510 18.472 -0.814 1.00 0.00 H new ATOM 786 N PRO A 56 1.695 16.208 -1.384 1.00 0.00 N ATOM 787 CA PRO A 56 2.473 15.087 -0.845 1.00 0.00 C ATOM 788 C PRO A 56 2.045 14.711 0.569 1.00 0.00 C ATOM 789 O PRO A 56 2.358 13.624 1.055 1.00 0.00 O ATOM 790 CB PRO A 56 3.908 15.619 -0.846 1.00 0.00 C ATOM 791 CG PRO A 56 3.764 17.099 -0.766 1.00 0.00 C ATOM 792 CD PRO A 56 2.501 17.433 -1.512 1.00 0.00 C ATOM 0 HA PRO A 56 2.340 14.179 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.475 15.230 0.000 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.440 15.321 -1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.704 17.430 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.624 17.599 -1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.994 18.295 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.703 17.674 -2.556 1.00 0.00 H new ATOM 800 N LEU A 57 1.327 15.616 1.225 1.00 0.00 N ATOM 801 CA LEU A 57 0.854 15.379 2.585 1.00 0.00 C ATOM 802 C LEU A 57 -0.313 14.398 2.592 1.00 0.00 C ATOM 803 O LEU A 57 -0.600 13.768 3.610 1.00 0.00 O ATOM 804 CB LEU A 57 0.431 16.697 3.236 1.00 0.00 C ATOM 805 CG LEU A 57 1.447 17.838 3.162 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.738 19.183 3.145 1.00 0.00 C ATOM 807 CD2 LEU A 57 2.420 17.762 4.330 1.00 0.00 C ATOM 0 H LEU A 57 1.059 16.521 0.837 1.00 0.00 H new ATOM 0 HA LEU A 57 1.673 14.945 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.495 17.030 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.206 16.505 4.285 1.00 0.00 H new ATOM 0 HG LEU A 57 2.013 17.736 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.477 19.983 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.081 19.237 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.147 19.294 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.136 18.581 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.870 17.839 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.953 16.811 4.299 1.00 0.00 H new ATOM 819 N MET A 58 -0.981 14.271 1.450 1.00 0.00 N ATOM 820 CA MET A 58 -2.115 13.363 1.325 1.00 0.00 C ATOM 821 C MET A 58 -1.747 11.964 1.806 1.00 0.00 C ATOM 822 O MET A 58 -2.597 11.225 2.304 1.00 0.00 O ATOM 823 CB MET A 58 -2.592 13.307 -0.127 1.00 0.00 C ATOM 824 CG MET A 58 -3.960 12.663 -0.293 1.00 0.00 C ATOM 825 SD MET A 58 -5.281 13.638 0.452 1.00 0.00 S ATOM 826 CE MET A 58 -5.330 15.045 -0.655 1.00 0.00 C ATOM 0 H MET A 58 -0.757 14.785 0.598 1.00 0.00 H new ATOM 0 HA MET A 58 -2.923 13.742 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.625 14.319 -0.529 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.864 12.752 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.167 12.528 -1.355 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.947 11.671 0.158 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.038 15.782 -0.276 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.338 15.493 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.643 14.717 -1.646 1.00 0.00 H new ATOM 836 N ILE A 59 -0.476 11.606 1.655 1.00 0.00 N ATOM 837 CA ILE A 59 0.004 10.296 2.075 1.00 0.00 C ATOM 838 C ILE A 59 0.636 10.360 3.462 1.00 0.00 C ATOM 839 O ILE A 59 1.463 11.228 3.738 1.00 0.00 O ATOM 840 CB ILE A 59 1.033 9.727 1.080 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.441 9.683 -0.330 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.481 8.340 1.516 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.828 8.865 -0.427 1.00 0.00 C ATOM 0 H ILE A 59 0.240 12.206 1.245 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.864 9.637 2.104 1.00 0.00 H new ATOM 0 HB ILE A 59 1.905 10.381 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.234 10.701 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.183 9.271 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.208 7.952 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.938 8.399 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.619 7.674 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.192 8.878 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.622 7.837 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.586 9.290 0.231 1.00 0.00 H new ATOM 855 N SER A 60 0.241 9.434 4.330 1.00 0.00 N ATOM 856 CA SER A 60 0.767 9.386 5.689 1.00 0.00 C ATOM 857 C SER A 60 1.935 8.410 5.785 1.00 0.00 C ATOM 858 O SER A 60 2.191 7.638 4.861 1.00 0.00 O ATOM 859 CB SER A 60 -0.334 8.979 6.670 1.00 0.00 C ATOM 860 OG SER A 60 -0.035 9.419 7.984 1.00 0.00 O ATOM 0 H SER A 60 -0.442 8.707 4.116 1.00 0.00 H new ATOM 0 HA SER A 60 1.126 10.382 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.286 9.402 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.449 7.895 6.663 1.00 0.00 H new ATOM 0 HG SER A 60 -0.755 9.148 8.591 1.00 0.00 H new ATOM 866 N ARG A 61 2.642 8.453 6.910 1.00 0.00 N ATOM 867 CA ARG A 61 3.785 7.574 7.127 1.00 0.00 C ATOM 868 C ARG A 61 3.399 6.115 6.902 1.00 0.00 C ATOM 869 O ARG A 61 4.194 5.324 6.396 1.00 0.00 O ATOM 870 CB ARG A 61 4.332 7.755 8.544 1.00 0.00 C ATOM 871 CG ARG A 61 4.646 9.200 8.896 1.00 0.00 C ATOM 872 CD ARG A 61 5.297 9.311 10.266 1.00 0.00 C ATOM 873 NE ARG A 61 6.450 8.426 10.398 1.00 0.00 N ATOM 874 CZ ARG A 61 7.007 8.112 11.562 1.00 0.00 C ATOM 875 NH1 ARG A 61 6.516 8.608 12.690 1.00 0.00 N ATOM 876 NH2 ARG A 61 8.055 7.299 11.601 1.00 0.00 N ATOM 0 H ARG A 61 2.444 9.087 7.684 1.00 0.00 H new ATOM 0 HA ARG A 61 4.560 7.842 6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.605 7.366 9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.237 7.158 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.309 9.624 8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.728 9.787 8.880 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.610 10.341 10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.564 9.069 11.036 1.00 0.00 H new ATOM 0 HE ARG A 61 6.850 8.026 9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.709 9.232 12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.945 8.366 13.583 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.434 6.914 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.481 7.059 12.496 1.00 0.00 H new ATOM 890 N ASN A 62 2.174 5.766 7.282 1.00 0.00 N ATOM 891 CA ASN A 62 1.684 4.402 7.123 1.00 0.00 C ATOM 892 C ASN A 62 0.253 4.397 6.594 1.00 0.00 C ATOM 893 O ASN A 62 -0.669 3.938 7.269 1.00 0.00 O ATOM 894 CB ASN A 62 1.748 3.656 8.457 1.00 0.00 C ATOM 895 CG ASN A 62 3.173 3.377 8.895 1.00 0.00 C ATOM 896 OD1 ASN A 62 3.650 3.932 9.885 1.00 0.00 O ATOM 897 ND2 ASN A 62 3.860 2.513 8.157 1.00 0.00 N ATOM 0 H ASN A 62 1.503 6.409 7.702 1.00 0.00 H new ATOM 0 HA ASN A 62 2.323 3.895 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.244 4.244 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.206 2.714 8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.824 2.286 8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.424 2.077 7.345 1.00 0.00 H new ATOM 904 N HIS A 63 0.075 4.910 5.380 1.00 0.00 N ATOM 905 CA HIS A 63 -1.244 4.964 4.759 1.00 0.00 C ATOM 906 C HIS A 63 -1.910 3.592 4.779 1.00 0.00 C ATOM 907 O HIS A 63 -3.127 3.484 4.934 1.00 0.00 O ATOM 908 CB HIS A 63 -1.133 5.469 3.320 1.00 0.00 C ATOM 909 CG HIS A 63 -2.295 6.310 2.889 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.262 7.689 2.877 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.527 5.960 2.451 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.425 8.151 2.453 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.210 7.122 2.187 1.00 0.00 N ATOM 0 H HIS A 63 0.827 5.294 4.808 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.861 5.656 5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.217 6.050 3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.045 4.614 2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.903 4.955 2.331 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.689 9.192 2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.168 7.181 1.842 1.00 0.00 H new ATOM 921 N CYS A 64 -1.106 2.547 4.621 1.00 0.00 N ATOM 922 CA CYS A 64 -1.618 1.181 4.619 1.00 0.00 C ATOM 923 C CYS A 64 -0.486 0.176 4.805 1.00 0.00 C ATOM 924 O CYS A 64 0.691 0.525 4.710 1.00 0.00 O ATOM 925 CB CYS A 64 -2.361 0.895 3.313 1.00 0.00 C ATOM 926 SG CYS A 64 -1.285 0.756 1.866 1.00 0.00 S ATOM 0 H CYS A 64 -0.097 2.619 4.493 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.312 1.078 5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.925 -0.031 3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.086 1.690 3.138 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.005 0.511 0.812 1.00 0.00 H new ATOM 932 N VAL A 65 -0.850 -1.075 5.071 1.00 0.00 N ATOM 933 CA VAL A 65 0.135 -2.131 5.272 1.00 0.00 C ATOM 934 C VAL A 65 -0.382 -3.469 4.754 1.00 0.00 C ATOM 935 O VAL A 65 -1.215 -4.114 5.391 1.00 0.00 O ATOM 936 CB VAL A 65 0.506 -2.278 6.759 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.502 -3.411 6.952 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.062 -0.970 7.301 1.00 0.00 C ATOM 0 H VAL A 65 -1.819 -1.381 5.152 1.00 0.00 H new ATOM 0 HA VAL A 65 1.024 -1.845 4.711 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.397 -2.522 7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.752 -3.499 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.062 -4.345 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.407 -3.201 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.319 -1.092 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.954 -0.693 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.312 -0.186 7.199 1.00 0.00 H new ATOM 948 N LEU A 66 0.118 -3.880 3.594 1.00 0.00 N ATOM 949 CA LEU A 66 -0.292 -5.143 2.989 1.00 0.00 C ATOM 950 C LEU A 66 0.420 -6.320 3.649 1.00 0.00 C ATOM 951 O LEU A 66 1.549 -6.190 4.122 1.00 0.00 O ATOM 952 CB LEU A 66 0.003 -5.131 1.488 1.00 0.00 C ATOM 953 CG LEU A 66 -0.940 -4.292 0.625 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.252 -3.014 0.171 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.424 -5.095 -0.574 1.00 0.00 C ATOM 0 H LEU A 66 0.808 -3.358 3.054 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.365 -5.259 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.019 -4.766 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.022 -6.158 1.125 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.807 -4.020 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.938 -2.429 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.043 -2.430 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.633 -3.265 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.094 -4.481 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.569 -5.399 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.956 -5.981 -0.228 1.00 0.00 H new ATOM 967 N LYS A 67 -0.247 -7.468 3.676 1.00 0.00 N ATOM 968 CA LYS A 67 0.321 -8.670 4.274 1.00 0.00 C ATOM 969 C LYS A 67 -0.613 -9.862 4.093 1.00 0.00 C ATOM 970 O LYS A 67 -1.826 -9.697 3.968 1.00 0.00 O ATOM 971 CB LYS A 67 0.593 -8.444 5.763 1.00 0.00 C ATOM 972 CG LYS A 67 -0.607 -7.911 6.527 1.00 0.00 C ATOM 973 CD LYS A 67 -0.264 -6.642 7.289 1.00 0.00 C ATOM 974 CE LYS A 67 0.155 -6.947 8.719 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.405 -5.961 9.684 1.00 0.00 N ATOM 0 H LYS A 67 -1.183 -7.592 3.290 1.00 0.00 H new ATOM 0 HA LYS A 67 1.261 -8.887 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.911 -9.385 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.421 -7.744 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.422 -7.710 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.962 -8.670 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.541 -6.115 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.127 -5.976 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.178 -7.949 8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.243 -6.944 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.426 -6.380 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.191 -5.109 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.371 -5.705 9.397 1.00 0.00 H new ATOM 989 N GLN A 68 -0.040 -11.061 4.082 1.00 0.00 N ATOM 990 CA GLN A 68 -0.823 -12.280 3.918 1.00 0.00 C ATOM 991 C GLN A 68 -1.271 -12.826 5.269 1.00 0.00 C ATOM 992 O GLN A 68 -0.450 -13.246 6.083 1.00 0.00 O ATOM 993 CB GLN A 68 -0.008 -13.338 3.172 1.00 0.00 C ATOM 994 CG GLN A 68 0.396 -12.917 1.768 1.00 0.00 C ATOM 995 CD GLN A 68 1.275 -13.944 1.081 1.00 0.00 C ATOM 996 OE1 GLN A 68 2.437 -14.127 1.445 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.724 -14.621 0.081 1.00 0.00 N ATOM 0 H GLN A 68 0.963 -11.214 4.185 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.710 -12.036 3.334 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.890 -13.565 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.590 -14.258 3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.500 -12.753 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.925 -11.965 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.243 -14.437 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.267 -15.325 -0.419 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.580 -12.816 5.502 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.137 -13.310 6.755 1.00 0.00 C ATOM 1008 C ASN A 69 -2.613 -14.708 7.071 1.00 0.00 C ATOM 1009 O ASN A 69 -2.118 -15.423 6.200 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.665 -13.329 6.686 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.180 -14.121 5.499 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.570 -15.107 5.085 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.308 -13.691 4.945 1.00 0.00 N ATOM 0 H ASN A 69 -3.274 -12.471 4.839 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.824 -12.636 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.062 -13.758 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.036 -12.306 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.702 -14.183 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.780 -12.869 5.321 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.725 -15.108 8.346 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.270 -16.423 8.806 1.00 0.00 C ATOM 1022 C PRO A 70 -2.795 -17.557 7.932 1.00 0.00 C ATOM 1023 O PRO A 70 -2.191 -18.626 7.858 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.850 -16.525 10.219 1.00 0.00 C ATOM 1025 CG PRO A 70 -2.986 -15.113 10.675 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.306 -14.307 9.437 1.00 0.00 C ATOM 0 HA PRO A 70 -1.184 -16.514 8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.814 -17.035 10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.192 -17.092 10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.777 -15.017 11.419 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.065 -14.763 11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.381 -14.176 9.310 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.866 -13.311 9.482 1.00 0.00 H new ATOM 1034 N GLU A 71 -3.924 -17.315 7.272 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.530 -18.317 6.403 1.00 0.00 C ATOM 1036 C GLU A 71 -3.676 -18.546 5.159 1.00 0.00 C ATOM 1037 O GLU A 71 -3.549 -19.672 4.679 1.00 0.00 O ATOM 1038 CB GLU A 71 -5.939 -17.885 5.995 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.772 -17.356 7.150 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.260 -17.563 6.940 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.689 -18.732 6.851 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -8.994 -16.556 6.866 1.00 0.00 O ATOM 0 H GLU A 71 -4.437 -16.435 7.323 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.591 -19.253 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.866 -17.114 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.454 -18.734 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.466 -17.853 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.572 -16.292 7.280 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.093 -17.469 4.642 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.259 -17.573 3.459 1.00 0.00 C ATOM 1051 C GLY A 72 -2.814 -16.787 2.287 1.00 0.00 C ATOM 1052 O GLY A 72 -2.510 -17.085 1.133 1.00 0.00 O ATOM 0 H GLY A 72 -3.183 -16.526 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.257 -17.213 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.163 -18.621 3.177 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.631 -15.782 2.585 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.232 -14.953 1.547 1.00 0.00 C ATOM 1058 C GLN A 73 -3.915 -13.479 1.777 1.00 0.00 C ATOM 1059 O GLN A 73 -3.975 -12.989 2.905 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.747 -15.161 1.511 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.475 -14.177 0.611 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.064 -14.301 -0.843 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.394 -15.259 -1.231 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.463 -13.331 -1.657 1.00 0.00 N ATOM 0 H GLN A 73 -3.892 -15.522 3.536 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.809 -15.252 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.958 -16.175 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.141 -15.075 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.549 -14.339 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.278 -13.162 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.017 -12.556 -1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.216 -13.361 -2.646 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.577 -12.777 0.701 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.250 -11.358 0.786 1.00 0.00 C ATOM 1075 C TRP A 74 -4.439 -10.556 1.302 1.00 0.00 C ATOM 1076 O TRP A 74 -5.580 -10.790 0.903 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.818 -10.831 -0.584 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.397 -11.162 -0.927 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.968 -12.070 -1.853 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.220 -10.591 -0.346 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.406 -12.097 -1.883 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.888 -11.198 -0.969 1.00 0.00 C ATOM 1083 CE3 TRP A 74 0.007 -9.624 0.637 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.200 -10.870 -0.638 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.309 -9.300 0.965 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.393 -9.920 0.328 1.00 0.00 C ATOM 0 H TRP A 74 -3.522 -13.167 -0.240 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.425 -11.241 1.489 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.475 -11.246 -1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.947 -9.749 -0.606 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.613 -12.677 -2.471 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.974 -12.690 -2.488 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -0.821 -9.138 1.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.036 -11.348 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.495 -8.556 1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.399 -9.643 0.605 1.00 0.00 H new ATOM 1097 N THR A 75 -4.165 -9.606 2.191 1.00 0.00 N ATOM 1098 CA THR A 75 -5.213 -8.769 2.762 1.00 0.00 C ATOM 1099 C THR A 75 -4.689 -7.373 3.080 1.00 0.00 C ATOM 1100 O THR A 75 -3.716 -7.219 3.818 1.00 0.00 O ATOM 1101 CB THR A 75 -5.792 -9.392 4.046 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.730 -9.801 4.915 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.673 -10.588 3.717 1.00 0.00 C ATOM 0 H THR A 75 -3.226 -9.397 2.531 1.00 0.00 H new ATOM 0 HA THR A 75 -6.003 -8.696 2.014 1.00 0.00 H new ATOM 0 HB THR A 75 -6.400 -8.638 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.033 -9.112 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.071 -11.012 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.497 -10.268 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.083 -11.342 3.196 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.341 -6.360 2.520 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.942 -4.977 2.746 1.00 0.00 C ATOM 1113 C ILE A 76 -5.460 -4.467 4.086 1.00 0.00 C ATOM 1114 O ILE A 76 -6.656 -4.534 4.367 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.453 -4.053 1.625 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -5.016 -2.610 1.884 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.968 -4.141 1.516 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.842 -1.795 0.621 1.00 0.00 C ATOM 0 H ILE A 76 -6.148 -6.471 1.906 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.852 -4.960 2.751 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.020 -4.380 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.755 -2.124 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.075 -2.617 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.314 -3.482 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.258 -5.167 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.419 -3.836 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.532 -0.783 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.082 -2.257 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.787 -1.757 0.080 1.00 0.00 H new ATOM 1130 N MET A 77 -4.551 -3.955 4.910 1.00 0.00 N ATOM 1131 CA MET A 77 -4.918 -3.430 6.220 1.00 0.00 C ATOM 1132 C MET A 77 -4.435 -1.992 6.384 1.00 0.00 C ATOM 1133 O MET A 77 -3.232 -1.732 6.427 1.00 0.00 O ATOM 1134 CB MET A 77 -4.330 -4.307 7.327 1.00 0.00 C ATOM 1135 CG MET A 77 -4.755 -3.887 8.725 1.00 0.00 C ATOM 1136 SD MET A 77 -3.396 -3.942 9.909 1.00 0.00 S ATOM 1137 CE MET A 77 -2.512 -2.445 9.480 1.00 0.00 C ATOM 0 H MET A 77 -3.556 -3.893 4.694 1.00 0.00 H new ATOM 0 HA MET A 77 -6.005 -3.440 6.297 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.632 -5.341 7.159 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.242 -4.278 7.263 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.160 -2.876 8.689 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.558 -4.540 9.068 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.662 -2.320 10.150 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.156 -2.514 8.452 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.179 -1.588 9.576 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.379 -1.062 6.475 1.00 0.00 N ATOM 1148 CA ASP A 78 -5.050 0.349 6.635 1.00 0.00 C ATOM 1149 C ASP A 78 -4.600 0.644 8.063 1.00 0.00 C ATOM 1150 O ASP A 78 -5.354 0.444 9.015 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.255 1.220 6.277 1.00 0.00 C ATOM 1152 CG ASP A 78 -6.086 2.657 6.730 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.930 3.126 6.798 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -7.109 3.313 7.016 1.00 0.00 O ATOM 0 H ASP A 78 -6.379 -1.260 6.441 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.228 0.584 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.408 1.198 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.151 0.801 6.734 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.367 1.119 8.204 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.817 1.440 9.516 1.00 0.00 C ATOM 1161 C ASN A 79 -3.365 2.769 10.026 1.00 0.00 C ATOM 1162 O ASN A 79 -2.610 3.707 10.283 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.289 1.497 9.451 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.642 1.204 10.791 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.304 1.220 11.829 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.658 0.934 10.773 1.00 0.00 N ATOM 0 H ASN A 79 -2.730 1.290 7.426 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.116 0.654 10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.932 0.778 8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.979 2.485 9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.148 0.729 11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.166 0.932 9.889 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.684 2.842 10.171 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.335 4.055 10.652 1.00 0.00 C ATOM 1175 C LYS A 80 -4.864 5.274 9.866 1.00 0.00 C ATOM 1176 O LYS A 80 -3.960 5.990 10.295 1.00 0.00 O ATOM 1177 CB LYS A 80 -5.050 4.254 12.142 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.994 3.486 13.051 1.00 0.00 C ATOM 1179 CD LYS A 80 -6.028 4.080 14.449 1.00 0.00 C ATOM 1180 CE LYS A 80 -6.979 3.314 15.357 1.00 0.00 C ATOM 1181 NZ LYS A 80 -8.391 3.750 15.175 1.00 0.00 N ATOM 0 H LYS A 80 -5.323 2.075 9.962 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.409 3.944 10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.026 3.945 12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.117 5.316 12.377 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.998 3.495 12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.681 2.443 13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.025 4.066 14.876 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.337 5.124 14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.899 2.247 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.685 3.460 16.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.007 3.205 15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.473 4.763 15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.680 3.588 14.189 1.00 0.00 H new ATOM 1195 N SER A 81 -5.484 5.504 8.713 1.00 0.00 N ATOM 1196 CA SER A 81 -5.127 6.636 7.866 1.00 0.00 C ATOM 1197 C SER A 81 -6.023 7.836 8.155 1.00 0.00 C ATOM 1198 O SER A 81 -7.203 7.682 8.477 1.00 0.00 O ATOM 1199 CB SER A 81 -5.235 6.249 6.389 1.00 0.00 C ATOM 1200 OG SER A 81 -6.574 5.950 6.037 1.00 0.00 O ATOM 0 H SER A 81 -6.236 4.922 8.344 1.00 0.00 H new ATOM 0 HA SER A 81 -4.096 6.913 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.866 7.065 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.601 5.385 6.189 1.00 0.00 H new ATOM 0 HG SER A 81 -6.807 5.057 6.367 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.456 9.032 8.039 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.203 10.260 8.289 1.00 0.00 C ATOM 1208 C LEU A 82 -7.238 10.499 7.194 1.00 0.00 C ATOM 1209 O LEU A 82 -8.402 10.778 7.478 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.248 11.452 8.373 1.00 0.00 C ATOM 1211 CG LEU A 82 -5.902 12.832 8.451 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.492 13.065 9.834 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -4.895 13.920 8.108 1.00 0.00 C ATOM 0 H LEU A 82 -4.482 9.178 7.774 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.725 10.153 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.614 11.323 9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.594 11.431 7.501 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.711 12.872 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.953 14.052 9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.245 12.305 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.701 13.006 10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.378 14.895 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.064 13.882 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.520 13.763 7.097 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.806 10.386 5.943 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.696 10.589 4.805 1.00 0.00 C ATOM 1227 C ASN A 83 -8.610 9.383 4.609 1.00 0.00 C ATOM 1228 O ASN A 83 -9.833 9.502 4.670 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.883 10.839 3.533 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.628 11.649 3.799 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -4.584 11.099 4.149 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -5.726 12.963 3.634 1.00 0.00 N ATOM 0 H ASN A 83 -5.845 10.155 5.691 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.315 11.463 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.608 9.883 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.503 11.363 2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.915 13.560 3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.612 13.376 3.343 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.007 8.222 4.373 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.782 7.011 4.171 1.00 0.00 C ATOM 1241 C GLY A 84 -8.379 6.268 2.913 1.00 0.00 C ATOM 1242 O GLY A 84 -7.886 6.870 1.959 1.00 0.00 O ATOM 0 H GLY A 84 -6.996 8.098 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.657 6.355 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.840 7.266 4.116 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.589 4.956 2.910 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.244 4.129 1.760 1.00 0.00 C ATOM 1248 C VAL A 85 -9.495 3.638 1.041 1.00 0.00 C ATOM 1249 O VAL A 85 -10.528 3.398 1.666 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.394 2.914 2.176 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -5.973 3.343 2.507 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -8.032 2.198 3.358 1.00 0.00 C ATOM 0 H VAL A 85 -8.997 4.443 3.691 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.662 4.755 1.084 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.352 2.219 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.388 2.471 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.520 3.807 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.991 4.059 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.419 1.342 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.106 2.884 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.029 1.855 3.081 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.395 3.490 -0.275 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.520 3.026 -1.080 1.00 0.00 C ATOM 1264 C TRP A 86 -10.159 1.754 -1.838 1.00 0.00 C ATOM 1265 O TRP A 86 -9.078 1.651 -2.420 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.953 4.115 -2.063 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.205 5.440 -1.409 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.287 6.422 -1.168 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.456 5.926 -0.912 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.893 7.490 -0.550 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.224 7.210 -0.382 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.751 5.402 -0.863 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.238 7.975 0.188 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.756 6.162 -0.297 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.496 7.437 0.222 1.00 0.00 C ATOM 0 H TRP A 86 -8.547 3.684 -0.808 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.348 2.803 -0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.182 4.235 -2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.860 3.792 -2.575 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.239 6.368 -1.425 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.428 8.351 -0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.962 4.420 -1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -13.039 8.958 0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.760 5.766 -0.254 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.304 8.006 0.657 1.00 0.00 H new ATOM 1286 N LEU A 87 -11.069 0.786 -1.828 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.846 -0.481 -2.516 1.00 0.00 C ATOM 1288 C LEU A 87 -12.059 -0.864 -3.357 1.00 0.00 C ATOM 1289 O LEU A 87 -13.048 -1.381 -2.839 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.543 -1.587 -1.503 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.375 -2.994 -2.077 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.146 -3.063 -2.971 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.280 -4.019 -0.956 1.00 0.00 C ATOM 0 H LEU A 87 -11.968 0.854 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.990 -0.361 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.630 -1.323 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.348 -1.610 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.252 -3.226 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.043 -4.072 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.254 -2.356 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.259 -2.810 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.161 -5.015 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.421 -3.789 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.190 -3.988 -0.356 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.974 -0.609 -4.659 1.00 0.00 N ATOM 1306 CA ASN A 88 -13.065 -0.929 -5.573 1.00 0.00 C ATOM 1307 C ASN A 88 -14.314 -0.123 -5.233 1.00 0.00 C ATOM 1308 O ASN A 88 -15.404 -0.678 -5.092 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.380 -2.426 -5.520 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.129 -3.276 -5.412 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.060 -2.892 -5.887 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.257 -4.440 -4.785 1.00 0.00 N ATOM 0 H ASN A 88 -11.162 -0.182 -5.104 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.749 -0.666 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -14.028 -2.628 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.933 -2.710 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.450 -5.055 -4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.162 -4.719 -4.407 1.00 0.00 H new ATOM 1319 N ARG A 89 -14.148 1.189 -5.103 1.00 0.00 N ATOM 1320 CA ARG A 89 -15.262 2.072 -4.779 1.00 0.00 C ATOM 1321 C ARG A 89 -15.860 1.717 -3.421 1.00 0.00 C ATOM 1322 O ARG A 89 -17.080 1.675 -3.261 1.00 0.00 O ATOM 1323 CB ARG A 89 -16.340 1.987 -5.861 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.801 2.158 -7.272 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.114 3.503 -7.446 1.00 0.00 C ATOM 1326 NE ARG A 89 -15.768 4.325 -8.461 1.00 0.00 N ATOM 1327 CZ ARG A 89 -15.175 5.342 -9.077 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -13.922 5.660 -8.784 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -15.837 6.043 -9.989 1.00 0.00 N ATOM 0 H ARG A 89 -13.253 1.664 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.882 3.093 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.842 1.022 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.093 2.753 -5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.096 1.357 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.618 2.070 -7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.113 4.035 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.072 3.344 -7.724 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.733 4.106 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.410 5.123 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.470 6.441 -9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.801 5.801 -10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.382 6.824 -10.462 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.993 1.460 -2.447 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.436 1.110 -1.103 1.00 0.00 C ATOM 1345 C ALA A 90 -14.398 1.513 -0.061 1.00 0.00 C ATOM 1346 O ALA A 90 -13.232 1.130 -0.152 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.724 -0.381 -1.014 1.00 0.00 C ATOM 0 H ALA A 90 -13.980 1.488 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.354 1.659 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.054 -0.628 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.506 -0.644 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.818 -0.941 -1.247 1.00 0.00 H new ATOM 1353 N ARG A 91 -14.830 2.288 0.928 1.00 0.00 N ATOM 1354 CA ARG A 91 -13.938 2.745 1.987 1.00 0.00 C ATOM 1355 C ARG A 91 -13.628 1.614 2.963 1.00 0.00 C ATOM 1356 O ARG A 91 -14.536 0.985 3.509 1.00 0.00 O ATOM 1357 CB ARG A 91 -14.562 3.924 2.736 1.00 0.00 C ATOM 1358 CG ARG A 91 -13.628 4.563 3.752 1.00 0.00 C ATOM 1359 CD ARG A 91 -13.008 5.841 3.210 1.00 0.00 C ATOM 1360 NE ARG A 91 -12.715 6.800 4.273 1.00 0.00 N ATOM 1361 CZ ARG A 91 -13.628 7.598 4.815 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -14.885 7.552 4.397 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -13.284 8.444 5.778 1.00 0.00 N ATOM 0 H ARG A 91 -15.793 2.613 1.018 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.005 3.070 1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.871 4.680 2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.463 3.583 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.179 4.784 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.840 3.858 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.089 5.600 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.687 6.296 2.488 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.757 6.860 4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.153 6.903 3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.584 8.166 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.318 8.482 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.986 9.056 6.194 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.342 1.360 3.178 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.912 0.304 4.088 1.00 0.00 C ATOM 1379 C LEU A 92 -11.705 0.850 5.497 1.00 0.00 C ATOM 1380 O LEU A 92 -11.151 1.934 5.677 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.619 -0.337 3.582 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.587 -0.703 2.098 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.153 -0.866 1.618 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.383 -1.975 1.845 1.00 0.00 C ATOM 0 H LEU A 92 -11.579 1.871 2.735 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.696 -0.453 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.795 0.347 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.434 -1.241 4.163 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.047 0.109 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.151 -1.126 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.612 0.069 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.667 -1.658 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.349 -2.220 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.952 -2.794 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.419 -1.823 2.149 1.00 0.00 H new ATOM 1396 N GLU A 93 -12.153 0.091 6.492 1.00 0.00 N ATOM 1397 CA GLU A 93 -12.015 0.499 7.885 1.00 0.00 C ATOM 1398 C GLU A 93 -10.571 0.348 8.356 1.00 0.00 C ATOM 1399 O GLU A 93 -9.776 -0.391 7.775 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.943 -0.328 8.777 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.143 0.447 9.292 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.453 -0.053 8.714 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.555 -0.146 7.472 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.375 -0.350 9.501 1.00 0.00 O ATOM 0 H GLU A 93 -12.614 -0.809 6.359 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.295 1.550 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.294 -1.195 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.374 -0.707 9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.179 0.374 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.022 1.502 9.047 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.222 1.066 9.434 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.874 1.030 10.007 1.00 0.00 C ATOM 1413 C PRO A 94 -8.564 -0.306 10.675 1.00 0.00 C ATOM 1414 O PRO A 94 -9.412 -0.882 11.357 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.899 2.154 11.046 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.335 2.293 11.418 1.00 0.00 C ATOM 1417 CD PRO A 94 -11.118 1.969 10.176 1.00 0.00 C ATOM 0 HA PRO A 94 -8.104 1.153 9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.288 1.905 11.913 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.505 3.083 10.634 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.595 1.615 12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.552 3.304 11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.067 1.488 10.413 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.350 2.866 9.602 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.344 -0.793 10.474 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.922 -2.062 11.058 1.00 0.00 C ATOM 1427 C LEU A 95 -7.920 -3.169 10.735 1.00 0.00 C ATOM 1428 O LEU A 95 -8.145 -4.070 11.543 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.769 -1.922 12.573 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.202 -0.593 13.072 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.111 -0.587 14.590 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.837 -0.330 12.453 1.00 0.00 C ATOM 0 H LEU A 95 -6.630 -0.329 9.912 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.958 -2.331 10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.746 -2.072 13.032 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.124 -2.725 12.928 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.878 0.206 12.766 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.705 0.367 14.926 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.105 -0.729 15.015 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.458 -1.395 14.919 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.448 0.620 12.819 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.152 -1.132 12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.931 -0.289 11.368 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.515 -3.095 9.549 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.488 -4.092 9.119 1.00 0.00 C ATOM 1446 C ARG A 96 -8.904 -4.988 8.030 1.00 0.00 C ATOM 1447 O ARG A 96 -8.008 -4.581 7.291 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.757 -3.408 8.606 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.960 -4.334 8.532 1.00 0.00 C ATOM 1450 CD ARG A 96 -13.222 -3.648 9.032 1.00 0.00 C ATOM 1451 NE ARG A 96 -14.114 -4.578 9.719 1.00 0.00 N ATOM 1452 CZ ARG A 96 -15.408 -4.347 9.913 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -15.958 -3.223 9.473 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -16.155 -5.241 10.547 1.00 0.00 N ATOM 0 H ARG A 96 -8.340 -2.355 8.869 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.740 -4.713 9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.996 -2.568 9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.563 -2.998 7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.106 -4.661 7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.770 -5.227 9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.951 -2.838 9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.747 -3.197 8.190 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.722 -5.452 10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.387 -2.533 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.952 -3.048 9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.736 -6.107 10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.148 -5.063 10.695 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.418 -6.210 7.939 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.949 -7.164 6.941 1.00 0.00 C ATOM 1470 C VAL A 97 -9.822 -7.127 5.692 1.00 0.00 C ATOM 1471 O VAL A 97 -11.041 -7.283 5.770 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.932 -8.599 7.500 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -8.330 -9.561 6.487 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -8.167 -8.649 8.814 1.00 0.00 C ATOM 0 H VAL A 97 -10.159 -6.563 8.544 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.932 -6.873 6.678 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.960 -8.908 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.327 -10.570 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.924 -9.545 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.308 -9.258 6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.165 -9.670 9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.141 -8.321 8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.647 -7.992 9.540 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.191 -6.922 4.542 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.911 -6.863 3.275 1.00 0.00 C ATOM 1486 C TYR A 98 -9.177 -7.651 2.194 1.00 0.00 C ATOM 1487 O TYR A 98 -8.267 -7.136 1.544 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.087 -5.409 2.832 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.247 -4.708 3.501 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.532 -4.797 2.979 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -11.059 -3.956 4.653 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.596 -4.158 3.586 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -12.117 -3.315 5.268 1.00 0.00 C ATOM 1494 CZ TYR A 98 -13.383 -3.419 4.731 1.00 0.00 C ATOM 1495 OH TYR A 98 -14.439 -2.780 5.339 1.00 0.00 O ATOM 0 H TYR A 98 -8.182 -6.794 4.460 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.893 -7.312 3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.170 -4.860 3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.231 -5.382 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.702 -5.376 2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.069 -3.871 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.588 -4.237 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.954 -2.736 6.165 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.120 -2.304 6.134 1.00 0.00 H new ATOM 1505 N SER A 99 -9.580 -8.903 2.007 1.00 0.00 N ATOM 1506 CA SER A 99 -8.960 -9.765 1.008 1.00 0.00 C ATOM 1507 C SER A 99 -9.058 -9.143 -0.382 1.00 0.00 C ATOM 1508 O SER A 99 -10.141 -8.767 -0.830 1.00 0.00 O ATOM 1509 CB SER A 99 -9.625 -11.143 1.010 1.00 0.00 C ATOM 1510 OG SER A 99 -10.253 -11.405 2.253 1.00 0.00 O ATOM 0 H SER A 99 -10.334 -9.344 2.535 1.00 0.00 H new ATOM 0 HA SER A 99 -7.906 -9.877 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.362 -11.196 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.878 -11.911 0.807 1.00 0.00 H new ATOM 0 HG SER A 99 -11.184 -11.101 2.219 1.00 0.00 H new ATOM 1516 N ILE A 100 -7.919 -9.038 -1.057 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.875 -8.463 -2.396 1.00 0.00 C ATOM 1518 C ILE A 100 -7.717 -9.548 -3.456 1.00 0.00 C ATOM 1519 O ILE A 100 -7.281 -10.661 -3.160 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.722 -7.451 -2.537 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.390 -8.109 -2.170 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.976 -6.233 -1.661 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.201 -7.185 -2.312 1.00 0.00 C ATOM 0 H ILE A 100 -7.014 -9.343 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.822 -7.946 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.671 -7.123 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.442 -8.466 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.239 -8.983 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.153 -5.527 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.907 -5.755 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.050 -6.543 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.291 -7.718 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.124 -6.847 -3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.330 -6.323 -1.657 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.072 -9.215 -4.693 1.00 0.00 N ATOM 1536 CA HIS A 101 -7.967 -10.161 -5.798 1.00 0.00 C ATOM 1537 C HIS A 101 -7.713 -9.432 -7.114 1.00 0.00 C ATOM 1538 O HIS A 101 -7.855 -8.212 -7.196 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.242 -10.998 -5.904 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.595 -11.714 -4.637 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -8.893 -12.804 -4.167 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.583 -11.489 -3.738 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.434 -13.219 -3.036 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.461 -12.438 -2.753 1.00 0.00 N ATOM 0 H HIS A 101 -8.434 -8.298 -4.955 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.123 -10.822 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.070 -10.349 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.122 -11.729 -6.703 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.328 -10.709 -3.787 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.094 -14.055 -2.443 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.065 -12.526 -1.936 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.335 -10.188 -8.140 1.00 0.00 N ATOM 1553 CA GLN A 102 -7.059 -9.612 -9.451 1.00 0.00 C ATOM 1554 C GLN A 102 -8.229 -8.757 -9.927 1.00 0.00 C ATOM 1555 O GLN A 102 -9.321 -9.265 -10.176 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.774 -10.719 -10.468 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.405 -10.198 -11.847 1.00 0.00 C ATOM 1558 CD GLN A 102 -4.910 -10.012 -12.020 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -4.110 -10.640 -11.325 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.525 -9.147 -12.950 1.00 0.00 N ATOM 0 H GLN A 102 -7.213 -11.199 -8.089 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.179 -8.975 -9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.962 -11.343 -10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.653 -11.358 -10.553 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.771 -10.892 -12.603 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.908 -9.246 -12.018 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.222 -8.649 -13.503 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.532 -8.981 -13.112 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.992 -7.455 -10.052 1.00 0.00 N ATOM 1570 CA GLY A 103 -9.035 -6.550 -10.497 1.00 0.00 C ATOM 1571 C GLY A 103 -9.468 -5.585 -9.412 1.00 0.00 C ATOM 1572 O GLY A 103 -10.617 -5.144 -9.386 1.00 0.00 O ATOM 0 H GLY A 103 -7.096 -7.011 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.679 -5.986 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.897 -7.129 -10.829 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.547 -5.256 -8.513 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.839 -4.338 -7.419 1.00 0.00 C ATOM 1578 C ASP A 104 -8.267 -2.953 -7.705 1.00 0.00 C ATOM 1579 O ASP A 104 -7.479 -2.775 -8.634 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.270 -4.876 -6.106 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.243 -5.786 -5.382 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -10.282 -6.138 -5.980 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -8.967 -6.146 -4.219 1.00 0.00 O ATOM 0 H ASP A 104 -7.591 -5.612 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.922 -4.254 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.349 -5.422 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.008 -4.040 -5.458 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.670 -1.974 -6.902 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.201 -0.604 -7.071 1.00 0.00 C ATOM 1590 C TYR A 105 -7.985 0.069 -5.719 1.00 0.00 C ATOM 1591 O TYR A 105 -8.939 0.489 -5.064 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.202 0.201 -7.901 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.806 0.350 -9.352 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.836 -0.738 -10.216 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.399 1.578 -9.859 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.474 -0.607 -11.542 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.037 1.718 -11.185 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.076 0.623 -12.022 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.714 0.758 -13.343 1.00 0.00 O ATOM 0 H TYR A 105 -9.321 -2.104 -6.127 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.247 -0.636 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.177 -0.283 -7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.313 1.192 -7.460 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.148 -1.703 -9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.365 2.437 -9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.502 -1.463 -12.200 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.725 2.680 -11.564 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.461 1.688 -13.519 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.725 0.167 -5.309 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.383 0.790 -4.036 1.00 0.00 C ATOM 1611 C ILE A 106 -6.103 2.279 -4.211 1.00 0.00 C ATOM 1612 O ILE A 106 -5.208 2.668 -4.961 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.155 0.120 -3.393 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.417 -1.371 -3.173 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.807 0.802 -2.079 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.948 -2.243 -4.317 1.00 0.00 C ATOM 0 H ILE A 106 -5.924 -0.177 -5.839 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.243 0.659 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.307 0.224 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.918 -1.688 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.486 -1.526 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.937 0.317 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.583 1.853 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.652 0.726 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.166 -3.287 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.466 -1.953 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.874 -2.118 -4.453 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.873 3.107 -3.511 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.706 4.553 -3.589 1.00 0.00 C ATOM 1630 C GLN A 107 -6.265 5.123 -2.244 1.00 0.00 C ATOM 1631 O GLN A 107 -7.067 5.246 -1.317 1.00 0.00 O ATOM 1632 CB GLN A 107 -8.011 5.215 -4.033 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.804 6.464 -4.875 1.00 0.00 C ATOM 1634 CD GLN A 107 -9.096 6.990 -5.467 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.272 7.009 -6.686 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -10.010 7.421 -4.606 1.00 0.00 N ATOM 0 H GLN A 107 -7.617 2.801 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.931 4.765 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.598 4.495 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.596 5.475 -3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.348 7.240 -4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.104 6.243 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.823 7.387 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.899 7.786 -4.947 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.986 5.468 -2.144 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.438 6.025 -0.912 1.00 0.00 C ATOM 1647 C LEU A 108 -4.897 7.466 -0.715 1.00 0.00 C ATOM 1648 O LEU A 108 -4.190 8.408 -1.071 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.910 5.963 -0.937 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.297 4.575 -1.123 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.780 4.662 -1.161 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.752 3.638 -0.014 1.00 0.00 C ATOM 0 H LEU A 108 -4.309 5.372 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.806 5.429 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.554 6.606 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.534 6.382 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.641 4.172 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.362 3.664 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.473 5.298 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.416 5.086 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.306 2.655 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.438 4.037 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.838 3.550 -0.035 1.00 0.00 H new ATOM 1664 N GLY A 109 -6.086 7.630 -0.142 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.618 8.959 0.095 1.00 0.00 C ATOM 1666 C GLY A 109 -7.644 9.367 -0.943 1.00 0.00 C ATOM 1667 O GLY A 109 -8.167 8.525 -1.674 1.00 0.00 O ATOM 0 H GLY A 109 -6.690 6.866 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.074 8.993 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.800 9.680 0.096 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.936 10.662 -1.008 1.00 0.00 N ATOM 1672 CA VAL A 110 -8.907 11.180 -1.965 1.00 0.00 C ATOM 1673 C VAL A 110 -8.271 12.212 -2.889 1.00 0.00 C ATOM 1674 O VAL A 110 -7.266 12.841 -2.560 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.112 11.820 -1.250 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -11.061 10.748 -0.738 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.642 12.715 -0.112 1.00 0.00 C ATOM 0 H VAL A 110 -7.514 11.372 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.253 10.332 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.653 12.437 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.906 11.220 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.423 10.152 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.535 10.102 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.506 13.159 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.077 12.122 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.006 13.505 -0.510 1.00 0.00 H new ATOM 1687 N PRO A 111 -8.871 12.392 -4.076 1.00 0.00 N ATOM 1688 CA PRO A 111 -8.381 13.349 -5.073 1.00 0.00 C ATOM 1689 C PRO A 111 -8.587 14.796 -4.639 1.00 0.00 C ATOM 1690 O PRO A 111 -9.541 15.111 -3.926 1.00 0.00 O ATOM 1691 CB PRO A 111 -9.227 13.036 -6.310 1.00 0.00 C ATOM 1692 CG PRO A 111 -10.478 12.432 -5.770 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.073 11.677 -4.534 1.00 0.00 C ATOM 0 HA PRO A 111 -7.308 13.252 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.439 13.938 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.711 12.347 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.213 13.202 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.937 11.766 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.860 11.689 -3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -9.859 10.631 -4.754 1.00 0.00 H new ATOM 1701 N LEU A 112 -7.688 15.672 -5.072 1.00 0.00 N ATOM 1702 CA LEU A 112 -7.771 17.087 -4.728 1.00 0.00 C ATOM 1703 C LEU A 112 -8.721 17.821 -5.669 1.00 0.00 C ATOM 1704 O LEU A 112 -9.113 17.291 -6.708 1.00 0.00 O ATOM 1705 CB LEU A 112 -6.384 17.729 -4.784 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.439 17.385 -3.631 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -6.099 17.681 -2.294 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.014 15.926 -3.707 1.00 0.00 C ATOM 0 H LEU A 112 -6.893 15.428 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.160 17.166 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.907 17.435 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.507 18.812 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.548 18.007 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.412 17.430 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.352 18.740 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.007 17.086 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.342 15.699 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.895 15.287 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.500 15.745 -4.651 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.253 10.590 -7.939 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.374 10.549 -6.777 1.00 0.00 C ATOM 1802 C ALA A 118 -4.918 10.755 -7.182 1.00 0.00 C ATOM 1803 O ALA A 118 -4.556 10.572 -8.344 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.536 9.229 -6.038 1.00 0.00 C ATOM 0 HA ALA A 118 -6.657 11.363 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.873 9.213 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.569 9.122 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.282 8.405 -6.705 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.088 11.138 -6.217 1.00 0.00 N ATOM 1811 CA GLU A 119 -2.672 11.370 -6.475 1.00 0.00 C ATOM 1812 C GLU A 119 -1.949 10.058 -6.761 1.00 0.00 C ATOM 1813 O GLU A 119 -0.926 10.036 -7.447 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.022 12.075 -5.283 1.00 0.00 C ATOM 1815 CG GLU A 119 -2.815 13.266 -4.773 1.00 0.00 C ATOM 1816 CD GLU A 119 -3.183 14.238 -5.877 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -4.191 13.994 -6.572 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -2.462 15.244 -6.046 1.00 0.00 O ATOM 0 H GLU A 119 -4.372 11.294 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.589 12.009 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.897 11.358 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.025 12.409 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.725 12.911 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.232 13.788 -4.014 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.486 8.965 -6.230 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.891 7.648 -6.424 1.00 0.00 C ATOM 1827 C TYR A 120 -2.969 6.591 -6.643 1.00 0.00 C ATOM 1828 O TYR A 120 -3.964 6.544 -5.920 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.029 7.272 -5.218 1.00 0.00 C ATOM 1830 CG TYR A 120 0.203 8.135 -5.062 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.136 9.365 -4.419 1.00 0.00 C ATOM 1832 CD2 TYR A 120 1.433 7.720 -5.557 1.00 0.00 C ATOM 1833 CE1 TYR A 120 1.259 10.157 -4.275 1.00 0.00 C ATOM 1834 CE2 TYR A 120 2.561 8.505 -5.416 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.469 9.722 -4.774 1.00 0.00 C ATOM 1836 OH TYR A 120 3.590 10.508 -4.633 1.00 0.00 O ATOM 0 H TYR A 120 -3.333 8.965 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.261 7.689 -7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.632 7.347 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.723 6.230 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -0.810 9.708 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.509 6.768 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 120 1.190 11.111 -3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.510 8.167 -5.806 1.00 0.00 H new ATOM 0 HH TYR A 120 4.117 10.478 -5.459 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.762 5.743 -7.646 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.715 4.685 -7.960 1.00 0.00 C ATOM 1848 C GLU A 121 -2.998 3.445 -8.485 1.00 0.00 C ATOM 1849 O GLU A 121 -2.095 3.541 -9.316 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.731 5.175 -8.994 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.900 5.933 -8.387 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.676 6.732 -9.417 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.059 7.578 -10.097 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.898 6.512 -9.542 1.00 0.00 O ATOM 0 H GLU A 121 -1.944 5.768 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.239 4.419 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.224 5.820 -9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.113 4.319 -9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.572 5.227 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.529 6.606 -7.614 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.407 2.280 -7.992 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.802 1.020 -8.408 1.00 0.00 C ATOM 1863 C TYR A 122 -3.873 -0.008 -8.760 1.00 0.00 C ATOM 1864 O TYR A 122 -5.067 0.248 -8.609 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.900 0.474 -7.300 1.00 0.00 C ATOM 1866 CG TYR A 122 -0.987 1.515 -6.694 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.395 2.277 -5.606 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.284 1.739 -7.210 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.564 3.230 -5.049 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.122 2.689 -6.659 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.693 3.432 -5.579 1.00 0.00 C ATOM 1872 OH TYR A 122 1.524 4.380 -5.028 1.00 0.00 O ATOM 0 H TYR A 122 -4.154 2.183 -7.305 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.201 1.210 -9.297 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.523 0.047 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.294 -0.338 -7.703 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.379 2.122 -5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.622 1.160 -8.057 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.897 3.813 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.107 2.849 -7.071 1.00 0.00 H new ATOM 0 HH TYR A 122 2.373 4.396 -5.518 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.435 -1.171 -9.230 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.356 -2.238 -9.605 1.00 0.00 C ATOM 1884 C GLU A 123 -3.767 -3.607 -9.272 1.00 0.00 C ATOM 1885 O GLU A 123 -2.818 -4.059 -9.913 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.682 -2.160 -11.098 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.743 -3.153 -11.541 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.783 -3.331 -13.047 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -4.709 -3.257 -13.680 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.886 -3.544 -13.591 1.00 0.00 O ATOM 0 H GLU A 123 -2.449 -1.399 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.275 -2.108 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.019 -1.151 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.771 -2.335 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.552 -4.117 -11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.719 -2.816 -11.193 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.336 -4.261 -8.265 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.869 -5.577 -7.847 1.00 0.00 C ATOM 1899 C VAL A 124 -3.791 -6.534 -9.031 1.00 0.00 C ATOM 1900 O VAL A 124 -4.807 -6.868 -9.642 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.790 -6.183 -6.770 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.291 -7.559 -6.355 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.885 -5.256 -5.568 1.00 0.00 C ATOM 0 H VAL A 124 -5.122 -3.901 -7.723 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.872 -5.441 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.789 -6.297 -7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.953 -7.972 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.279 -8.219 -7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.282 -7.474 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.539 -5.699 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.892 -5.109 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.292 -4.294 -5.881 1.00 0.00 H new ATOM 1913 N THR A 125 -2.578 -6.974 -9.351 1.00 0.00 N ATOM 1914 CA THR A 125 -2.366 -7.892 -10.462 1.00 0.00 C ATOM 1915 C THR A 125 -1.213 -8.847 -10.174 1.00 0.00 C ATOM 1916 O THR A 125 -0.303 -8.523 -9.412 1.00 0.00 O ATOM 1917 CB THR A 125 -2.075 -7.134 -11.770 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.934 -8.060 -12.853 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.810 -6.299 -11.642 1.00 0.00 C ATOM 0 H THR A 125 -1.727 -6.709 -8.855 1.00 0.00 H new ATOM 0 HA THR A 125 -3.287 -8.463 -10.579 1.00 0.00 H new ATOM 0 HB THR A 125 -2.913 -6.467 -11.971 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.751 -7.569 -13.681 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.625 -5.773 -12.578 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.932 -5.575 -10.837 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.035 -6.950 -11.419 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.258 -10.025 -10.789 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.216 -11.026 -10.598 1.00 0.00 C ATOM 1929 C GLU A 126 0.693 -11.106 -11.821 1.00 0.00 C ATOM 1930 O GLU A 126 0.263 -11.511 -12.900 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.839 -12.396 -10.321 1.00 0.00 C ATOM 1932 CG GLU A 126 0.054 -13.317 -9.506 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.470 -14.739 -9.452 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.477 -15.027 -10.131 1.00 0.00 O ATOM 1935 OE2 GLU A 126 0.129 -15.564 -8.730 1.00 0.00 O ATOM 0 H GLU A 126 -2.005 -10.309 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 126 0.385 -10.728 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.782 -12.257 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.074 -12.878 -11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.056 -13.319 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.142 -12.927 -8.492 1.00 0.00 H new ATOM 1942 N GLU A 127 1.951 -10.715 -11.642 1.00 0.00 N ATOM 1943 CA GLU A 127 2.920 -10.742 -12.732 1.00 0.00 C ATOM 1944 C GLU A 127 4.244 -11.343 -12.268 1.00 0.00 C ATOM 1945 O GLU A 127 4.604 -11.248 -11.095 1.00 0.00 O ATOM 1946 CB GLU A 127 3.151 -9.329 -13.272 1.00 0.00 C ATOM 1947 CG GLU A 127 1.867 -8.558 -13.528 1.00 0.00 C ATOM 1948 CD GLU A 127 1.844 -7.901 -14.895 1.00 0.00 C ATOM 1949 OE1 GLU A 127 2.803 -7.169 -15.218 1.00 0.00 O ATOM 1950 OE2 GLU A 127 0.866 -8.118 -15.641 1.00 0.00 O ATOM 0 H GLU A 127 2.323 -10.376 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 127 2.516 -11.367 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.763 -8.773 -12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.718 -9.392 -14.201 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.017 -9.235 -13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.747 -7.794 -12.760 1.00 0.00 H new ATOM 1957 N ASP A 128 4.963 -11.963 -13.197 1.00 0.00 N ATOM 1958 CA ASP A 128 6.247 -12.580 -12.886 1.00 0.00 C ATOM 1959 C ASP A 128 7.274 -11.525 -12.487 1.00 0.00 C ATOM 1960 O ASP A 128 7.185 -10.370 -12.903 1.00 0.00 O ATOM 1961 CB ASP A 128 6.757 -13.380 -14.085 1.00 0.00 C ATOM 1962 CG ASP A 128 5.847 -14.540 -14.437 1.00 0.00 C ATOM 1963 OD1 ASP A 128 4.842 -14.313 -15.143 1.00 0.00 O ATOM 1964 OD2 ASP A 128 6.139 -15.676 -14.006 1.00 0.00 O ATOM 0 H ASP A 128 4.678 -12.052 -14.172 1.00 0.00 H new ATOM 0 HA ASP A 128 6.103 -13.257 -12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.848 -12.719 -14.947 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.756 -13.759 -13.867 1.00 0.00 H new ATOM 1969 N TRP A 129 8.247 -11.931 -11.679 1.00 0.00 N ATOM 1970 CA TRP A 129 9.291 -11.020 -11.224 1.00 0.00 C ATOM 1971 C TRP A 129 10.031 -10.404 -12.407 1.00 0.00 C ATOM 1972 O TRP A 129 10.464 -9.254 -12.348 1.00 0.00 O ATOM 1973 CB TRP A 129 10.279 -11.756 -10.316 1.00 0.00 C ATOM 1974 CG TRP A 129 11.559 -11.007 -10.101 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.770 -11.274 -10.673 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.755 -9.871 -9.253 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.708 -10.372 -10.231 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.110 -9.500 -9.360 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.918 -9.129 -8.415 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.644 -8.421 -8.660 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.449 -8.059 -7.720 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.801 -7.713 -7.846 1.00 0.00 C ATOM 0 H TRP A 129 8.335 -12.884 -11.326 1.00 0.00 H new ATOM 0 HA TRP A 129 8.817 -10.218 -10.659 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.807 -11.939 -9.351 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.505 -12.730 -10.751 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.962 -12.076 -11.370 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.690 -10.355 -10.507 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.874 -9.387 -8.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.686 -8.152 -8.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.811 -7.480 -7.069 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.186 -6.871 -7.290 1.00 0.00 H new ATOM 1993 N GLU A 130 10.171 -11.177 -13.479 1.00 0.00 N ATOM 1994 CA GLU A 130 10.859 -10.706 -14.675 1.00 0.00 C ATOM 1995 C GLU A 130 10.003 -9.695 -15.433 1.00 0.00 C ATOM 1996 O GLU A 130 10.455 -9.082 -16.400 1.00 0.00 O ATOM 1997 CB GLU A 130 11.205 -11.883 -15.589 1.00 0.00 C ATOM 1998 CG GLU A 130 11.837 -13.056 -14.857 1.00 0.00 C ATOM 1999 CD GLU A 130 13.104 -13.548 -15.529 1.00 0.00 C ATOM 2000 OE1 GLU A 130 13.005 -14.131 -16.629 1.00 0.00 O ATOM 2001 OE2 GLU A 130 14.195 -13.350 -14.954 1.00 0.00 O ATOM 0 H GLU A 130 9.817 -12.132 -13.544 1.00 0.00 H new ATOM 0 HA GLU A 130 11.780 -10.215 -14.362 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.298 -12.223 -16.089 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.888 -11.540 -16.367 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.065 -12.760 -13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.119 -13.874 -14.801 1.00 0.00 H new ATOM 2008 N THR A 131 8.762 -9.527 -14.986 1.00 0.00 N ATOM 2009 CA THR A 131 7.841 -8.593 -15.621 1.00 0.00 C ATOM 2010 C THR A 131 7.771 -7.280 -14.851 1.00 0.00 C ATOM 2011 O THR A 131 7.585 -6.213 -15.438 1.00 0.00 O ATOM 2012 CB THR A 131 6.424 -9.187 -15.730 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.454 -10.386 -16.513 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.465 -8.188 -16.360 1.00 0.00 C ATOM 0 H THR A 131 8.372 -10.026 -14.186 1.00 0.00 H new ATOM 0 HA THR A 131 8.225 -8.403 -16.623 1.00 0.00 H new ATOM 0 HB THR A 131 6.073 -9.419 -14.724 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.550 -10.758 -16.576 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.471 -8.630 -16.426 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.422 -7.288 -15.746 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.814 -7.929 -17.359 1.00 0.00 H new ATOM 2022 N ILE A 132 7.921 -7.363 -13.533 1.00 0.00 N ATOM 2023 CA ILE A 132 7.877 -6.180 -12.683 1.00 0.00 C ATOM 2024 C ILE A 132 9.281 -5.672 -12.374 1.00 0.00 C ATOM 2025 O ILE A 132 9.459 -4.533 -11.942 1.00 0.00 O ATOM 2026 CB ILE A 132 7.144 -6.466 -11.359 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.787 -7.118 -11.632 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.970 -5.182 -10.562 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.251 -7.912 -10.461 1.00 0.00 C ATOM 0 H ILE A 132 8.074 -8.238 -13.031 1.00 0.00 H new ATOM 0 HA ILE A 132 7.330 -5.415 -13.235 1.00 0.00 H new ATOM 0 HB ILE A 132 7.746 -7.158 -10.770 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.067 -6.343 -11.895 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.877 -7.776 -12.496 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.450 -5.400 -9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.948 -4.755 -10.341 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.386 -4.469 -11.144 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.287 -8.345 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.951 -8.709 -10.211 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.129 -7.254 -9.601 1.00 0.00 H new ATOM 2041 N TYR A 133 10.275 -6.523 -12.600 1.00 0.00 N ATOM 2042 CA TYR A 133 11.664 -6.161 -12.346 1.00 0.00 C ATOM 2043 C TYR A 133 12.035 -4.876 -13.080 1.00 0.00 C ATOM 2044 O TYR A 133 12.486 -3.898 -12.484 1.00 0.00 O ATOM 2045 CB TYR A 133 12.596 -7.295 -12.777 1.00 0.00 C ATOM 2046 CG TYR A 133 13.967 -6.823 -13.204 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.710 -5.967 -12.401 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.520 -7.234 -14.411 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.963 -5.532 -12.789 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.773 -6.806 -14.806 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.490 -5.955 -13.991 1.00 0.00 C ATOM 2052 OH TYR A 133 17.738 -5.525 -14.380 1.00 0.00 O ATOM 0 H TYR A 133 10.145 -7.469 -12.959 1.00 0.00 H new ATOM 0 HA TYR A 133 11.779 -5.993 -11.275 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.704 -7.999 -11.952 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.135 -7.839 -13.601 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.302 -5.636 -11.458 1.00 0.00 H new ATOM 0 HD2 TYR A 133 13.960 -7.900 -15.051 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.526 -4.864 -12.154 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.188 -7.136 -15.747 1.00 0.00 H new ATOM 0 HH TYR A 133 17.962 -5.916 -15.250 1.00 0.00 H new ATOM 2062 N PRO A 134 11.841 -4.877 -14.407 1.00 0.00 N ATOM 2063 CA PRO A 134 12.147 -3.720 -15.253 1.00 0.00 C ATOM 2064 C PRO A 134 11.498 -2.439 -14.740 1.00 0.00 C ATOM 2065 O PRO A 134 12.149 -1.399 -14.641 1.00 0.00 O ATOM 2066 CB PRO A 134 11.561 -4.109 -16.613 1.00 0.00 C ATOM 2067 CG PRO A 134 11.577 -5.599 -16.620 1.00 0.00 C ATOM 2068 CD PRO A 134 11.307 -6.009 -15.184 1.00 0.00 C ATOM 0 HA PRO A 134 13.216 -3.506 -15.280 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.549 -3.723 -16.733 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.156 -3.703 -17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.817 -5.997 -17.292 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.538 -5.980 -16.964 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.243 -6.157 -15.001 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.808 -6.944 -14.931 1.00 0.00 H new ATOM 2076 N CYS A 135 10.213 -2.522 -14.415 1.00 0.00 N ATOM 2077 CA CYS A 135 9.475 -1.369 -13.912 1.00 0.00 C ATOM 2078 C CYS A 135 9.109 -1.556 -12.444 1.00 0.00 C ATOM 2079 O CYS A 135 7.931 -1.569 -12.083 1.00 0.00 O ATOM 2080 CB CYS A 135 8.209 -1.145 -14.742 1.00 0.00 C ATOM 2081 SG CYS A 135 8.496 -1.092 -16.526 1.00 0.00 S ATOM 0 H CYS A 135 9.660 -3.376 -14.491 1.00 0.00 H new ATOM 0 HA CYS A 135 10.117 -0.492 -13.999 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.498 -1.942 -14.523 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.745 -0.209 -14.432 1.00 0.00 H new ATOM 0 HG CYS A 135 7.367 -0.901 -17.142 1.00 0.00 H new ATOM 2087 N LEU A 136 10.125 -1.701 -11.600 1.00 0.00 N ATOM 2088 CA LEU A 136 9.911 -1.889 -10.170 1.00 0.00 C ATOM 2089 C LEU A 136 9.756 -0.547 -9.461 1.00 0.00 C ATOM 2090 O LEU A 136 10.205 0.485 -9.960 1.00 0.00 O ATOM 2091 CB LEU A 136 11.075 -2.671 -9.558 1.00 0.00 C ATOM 2092 CG LEU A 136 10.750 -4.079 -9.059 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.956 -4.692 -8.366 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.552 -4.049 -8.121 1.00 0.00 C ATOM 0 H LEU A 136 11.105 -1.692 -11.882 1.00 0.00 H new ATOM 0 HA LEU A 136 8.990 -2.457 -10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.868 -2.745 -10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.474 -2.095 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 136 10.498 -4.699 -9.919 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.705 -5.694 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.788 -4.749 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.240 -4.073 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.335 -5.060 -7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.776 -3.413 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.685 -3.652 -8.650 1.00 0.00 H new ATOM 2106 N SER A 137 9.120 -0.570 -8.294 1.00 0.00 N ATOM 2107 CA SER A 137 8.905 0.645 -7.517 1.00 0.00 C ATOM 2108 C SER A 137 10.116 0.952 -6.641 1.00 0.00 C ATOM 2109 O SER A 137 10.944 0.086 -6.357 1.00 0.00 O ATOM 2110 CB SER A 137 7.655 0.505 -6.647 1.00 0.00 C ATOM 2111 OG SER A 137 7.904 0.940 -5.322 1.00 0.00 O ATOM 0 H SER A 137 8.745 -1.416 -7.866 1.00 0.00 H new ATOM 0 HA SER A 137 8.764 1.471 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.841 1.089 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.330 -0.535 -6.636 1.00 0.00 H new ATOM 0 HG SER A 137 8.063 0.163 -4.747 1.00 0.00 H new ATOM 2117 N PRO A 138 10.223 2.214 -6.202 1.00 0.00 N ATOM 2118 CA PRO A 138 11.329 2.666 -5.352 1.00 0.00 C ATOM 2119 C PRO A 138 11.256 2.080 -3.946 1.00 0.00 C ATOM 2120 O PRO A 138 10.360 2.413 -3.169 1.00 0.00 O ATOM 2121 CB PRO A 138 11.146 4.185 -5.308 1.00 0.00 C ATOM 2122 CG PRO A 138 9.694 4.399 -5.567 1.00 0.00 C ATOM 2123 CD PRO A 138 9.273 3.299 -6.502 1.00 0.00 C ATOM 0 HA PRO A 138 12.297 2.351 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.440 4.591 -4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.760 4.680 -6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.123 4.363 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.517 5.378 -6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.243 2.992 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.336 3.611 -7.544 1.00 0.00 H new ATOM 2131 N LYS A 139 12.203 1.205 -3.625 1.00 0.00 N ATOM 2132 CA LYS A 139 12.248 0.573 -2.311 1.00 0.00 C ATOM 2133 C LYS A 139 13.109 1.383 -1.347 1.00 0.00 C ATOM 2134 O LYS A 139 14.101 1.991 -1.747 1.00 0.00 O ATOM 2135 CB LYS A 139 12.794 -0.852 -2.427 1.00 0.00 C ATOM 2136 CG LYS A 139 11.733 -1.885 -2.764 1.00 0.00 C ATOM 2137 CD LYS A 139 12.326 -3.279 -2.871 1.00 0.00 C ATOM 2138 CE LYS A 139 12.602 -3.874 -1.499 1.00 0.00 C ATOM 2139 NZ LYS A 139 13.396 -5.131 -1.589 1.00 0.00 N ATOM 0 H LYS A 139 12.950 0.917 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 139 11.232 0.535 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.567 -0.874 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.271 -1.127 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.959 -1.876 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.252 -1.620 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.640 -3.926 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.252 -3.239 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 139 13.140 -3.148 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.657 -4.076 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 13.563 -5.505 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.872 -5.833 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 14.308 -4.933 -2.048 1.00 0.00 H new ATOM 2153 N SER A 140 12.724 1.384 -0.075 1.00 0.00 N ATOM 2154 CA SER A 140 13.459 2.120 0.946 1.00 0.00 C ATOM 2155 C SER A 140 13.856 1.203 2.098 1.00 0.00 C ATOM 2156 O SER A 140 13.104 0.306 2.480 1.00 0.00 O ATOM 2157 CB SER A 140 12.617 3.284 1.472 1.00 0.00 C ATOM 2158 OG SER A 140 13.195 3.846 2.638 1.00 0.00 O ATOM 0 H SER A 140 11.907 0.883 0.273 1.00 0.00 H new ATOM 0 HA SER A 140 14.367 2.515 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.528 4.050 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.608 2.936 1.694 1.00 0.00 H new ATOM 0 HG SER A 140 12.639 4.589 2.953 1.00 0.00 H new