USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 995 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 94 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 97 HIS : no HE2:sc= -6.07! C(o=-6.1!,f=-7.3!) USER MOD Set 2.1: A 71 SER OG : rot 148:sc= -0.631 USER MOD Set 2.2: A 78 CYS SG : rot 60:sc= -4.07! USER MOD Set 3.1: A 56 THR OG1 : rot -150:sc= -0.478! USER MOD Set 3.2: A 58 GLN : amide:sc= 0.0771 K(o=-0.4,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -176:sc= -1.71 USER MOD Single : A 12 SER OG : rot 180:sc=-0.000265 USER MOD Single : A 13 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 16 HIS : no HD1:sc= -3.98! C(o=-4!,f=-6.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -5.53! C(o=-5.5!,f=-5.5!) USER MOD Single : A 38 GLN : amide:sc= -0.0175 K(o=-0.018,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 117:sc= 1.33 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.97 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= -0.607 (180deg=-0.862) USER MOD Single : A 53 SER OG : rot -160:sc= -0.262 USER MOD Single : A 54 THR OG1 : rot -92:sc= 1.21 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 62 MET CE :methyl 177:sc= -3.25! (180deg=-3.27!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.93) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 87 ASN : amide:sc= -2.64! C(o=-2.6!,f=-5.8!) USER MOD Single : A 88 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.26) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.573 K(o=-0.57,f=-5.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc=2.77e-05 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -105:sc= -0.409 (180deg=-1.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.03) USER MOD Single : A 101 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 20:sc= -0.0798 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -71:sc= -0.0696! USER MOD Single : A 119 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.13) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.9!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.022 -8.301 1.460 1.00 0.00 N ATOM 98 CA PRO A 6 8.617 -7.092 0.764 1.00 0.00 C ATOM 99 C PRO A 6 7.975 -7.424 -0.584 1.00 0.00 C ATOM 100 O PRO A 6 8.153 -8.523 -1.106 1.00 0.00 O ATOM 101 CB PRO A 6 9.888 -6.270 0.630 1.00 0.00 C ATOM 102 CG PRO A 6 11.037 -7.243 0.837 1.00 0.00 C ATOM 103 CD PRO A 6 10.465 -8.521 1.428 1.00 0.00 C ATOM 0 HA PRO A 6 7.852 -6.533 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.947 -5.799 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.916 -5.470 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.537 -7.450 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.784 -6.815 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.720 -9.388 0.818 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.860 -8.707 2.427 1.00 0.00 H new ATOM 111 N LYS A 7 7.241 -6.454 -1.109 1.00 0.00 N ATOM 112 CA LYS A 7 6.572 -6.630 -2.387 1.00 0.00 C ATOM 113 C LYS A 7 6.625 -5.317 -3.171 1.00 0.00 C ATOM 114 O LYS A 7 7.050 -4.291 -2.642 1.00 0.00 O ATOM 115 CB LYS A 7 5.154 -7.165 -2.180 1.00 0.00 C ATOM 116 CG LYS A 7 4.427 -6.383 -1.084 1.00 0.00 C ATOM 117 CD LYS A 7 4.864 -6.852 0.306 1.00 0.00 C ATOM 118 CE LYS A 7 3.663 -7.320 1.130 1.00 0.00 C ATOM 119 NZ LYS A 7 3.820 -8.741 1.513 1.00 0.00 N ATOM 0 H LYS A 7 7.095 -5.544 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 7 7.087 -7.381 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.595 -7.095 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.195 -8.221 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.633 -5.318 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.350 -6.512 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.583 -7.666 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.371 -6.039 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.566 -6.705 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.747 -7.192 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.996 -9.043 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.890 -9.326 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.684 -8.854 2.081 1.00 0.00 H new ATOM 133 N LEU A 8 6.188 -5.392 -4.419 1.00 0.00 N ATOM 134 CA LEU A 8 6.180 -4.222 -5.281 1.00 0.00 C ATOM 135 C LEU A 8 4.735 -3.861 -5.630 1.00 0.00 C ATOM 136 O LEU A 8 3.886 -4.741 -5.765 1.00 0.00 O ATOM 137 CB LEU A 8 7.069 -4.452 -6.505 1.00 0.00 C ATOM 138 CG LEU A 8 8.374 -5.211 -6.253 1.00 0.00 C ATOM 139 CD1 LEU A 8 8.557 -6.339 -7.270 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.569 -4.256 -6.234 1.00 0.00 C ATOM 0 H LEU A 8 5.837 -6.245 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 8 6.607 -3.364 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.492 -4.999 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.314 -3.483 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 8 8.316 -5.673 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.492 -6.862 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.725 -7.039 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.585 -5.921 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.483 -4.821 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.642 -3.745 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.434 -3.520 -5.441 1.00 0.00 H new ATOM 152 N LEU A 9 4.500 -2.564 -5.766 1.00 0.00 N ATOM 153 CA LEU A 9 3.172 -2.075 -6.097 1.00 0.00 C ATOM 154 C LEU A 9 3.042 -1.953 -7.617 1.00 0.00 C ATOM 155 O LEU A 9 3.589 -1.029 -8.218 1.00 0.00 O ATOM 156 CB LEU A 9 2.878 -0.774 -5.348 1.00 0.00 C ATOM 157 CG LEU A 9 2.790 -0.882 -3.824 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.022 -2.138 -3.408 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.180 -0.823 -3.189 1.00 0.00 C ATOM 0 H LEU A 9 5.206 -1.837 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 9 2.412 -2.784 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.655 -0.051 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.936 -0.370 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 9 2.230 -0.024 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.974 -2.191 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.011 -2.098 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.533 -3.021 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.089 -0.902 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.786 -1.648 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.657 0.123 -3.445 1.00 0.00 H new ATOM 171 N TYR A 10 2.315 -2.898 -8.195 1.00 0.00 N ATOM 172 CA TYR A 10 2.107 -2.907 -9.632 1.00 0.00 C ATOM 173 C TYR A 10 0.934 -2.006 -10.023 1.00 0.00 C ATOM 174 O TYR A 10 -0.212 -2.289 -9.678 1.00 0.00 O ATOM 175 CB TYR A 10 1.767 -4.353 -10.000 1.00 0.00 C ATOM 176 CG TYR A 10 1.603 -4.592 -11.502 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.651 -4.332 -12.361 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.405 -5.066 -11.998 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.496 -4.556 -13.775 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.250 -5.291 -13.412 1.00 0.00 C ATOM 181 CZ TYR A 10 1.303 -5.024 -14.231 1.00 0.00 C ATOM 182 OH TYR A 10 1.157 -5.236 -15.566 1.00 0.00 O ATOM 0 H TYR A 10 1.863 -3.663 -7.694 1.00 0.00 H new ATOM 0 HA TYR A 10 2.993 -2.540 -10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.553 -5.007 -9.622 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.844 -4.638 -9.495 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.588 -3.960 -11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.416 -5.268 -11.326 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.309 -4.357 -14.458 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.681 -5.663 -13.813 1.00 0.00 H new ATOM 0 HH TYR A 10 0.254 -5.572 -15.747 1.00 0.00 H new ATOM 192 N CYS A 11 1.261 -0.939 -10.736 1.00 0.00 N ATOM 193 CA CYS A 11 0.249 0.006 -11.177 1.00 0.00 C ATOM 194 C CYS A 11 -0.289 -0.463 -12.531 1.00 0.00 C ATOM 195 O CYS A 11 0.059 0.098 -13.569 1.00 0.00 O ATOM 196 CB CYS A 11 0.798 1.433 -11.244 1.00 0.00 C ATOM 197 SG CYS A 11 -0.488 2.569 -11.880 1.00 0.00 S ATOM 0 H CYS A 11 2.213 -0.707 -11.020 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.566 0.034 -10.453 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.121 1.754 -10.254 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.675 1.464 -11.891 1.00 0.00 H new ATOM 0 HG CYS A 11 0.015 3.759 -12.020 1.00 0.00 H new ATOM 203 N SER A 12 -1.128 -1.486 -12.475 1.00 0.00 N ATOM 204 CA SER A 12 -1.718 -2.037 -13.684 1.00 0.00 C ATOM 205 C SER A 12 -1.994 -0.916 -14.689 1.00 0.00 C ATOM 206 O SER A 12 -1.870 -1.116 -15.896 1.00 0.00 O ATOM 207 CB SER A 12 -3.007 -2.798 -13.371 1.00 0.00 C ATOM 208 OG SER A 12 -4.126 -1.925 -13.243 1.00 0.00 O ATOM 0 H SER A 12 -1.414 -1.948 -11.612 1.00 0.00 H new ATOM 0 HA SER A 12 -1.009 -2.741 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.201 -3.522 -14.162 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.880 -3.362 -12.447 1.00 0.00 H new ATOM 0 HG SER A 12 -4.929 -2.450 -13.045 1.00 0.00 H new ATOM 214 N ASN A 13 -2.364 0.238 -14.153 1.00 0.00 N ATOM 215 CA ASN A 13 -2.659 1.390 -14.987 1.00 0.00 C ATOM 216 C ASN A 13 -1.611 1.493 -16.097 1.00 0.00 C ATOM 217 O ASN A 13 -1.954 1.574 -17.275 1.00 0.00 O ATOM 218 CB ASN A 13 -2.615 2.685 -14.174 1.00 0.00 C ATOM 219 CG ASN A 13 -3.577 3.726 -14.749 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.366 3.456 -15.640 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.469 4.929 -14.191 1.00 0.00 N ATOM 0 H ASN A 13 -2.466 0.400 -13.151 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.658 1.258 -15.401 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.877 2.476 -13.137 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.600 3.084 -14.173 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.068 5.693 -14.505 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.787 5.088 -13.449 1.00 0.00 H new ATOM 228 N GLY A 14 -0.353 1.486 -15.681 1.00 0.00 N ATOM 229 CA GLY A 14 0.748 1.577 -16.624 1.00 0.00 C ATOM 230 C GLY A 14 1.663 0.355 -16.520 1.00 0.00 C ATOM 231 O GLY A 14 2.189 -0.119 -17.526 1.00 0.00 O ATOM 0 H GLY A 14 -0.072 1.419 -14.703 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.357 1.657 -17.638 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.322 2.483 -16.431 1.00 0.00 H new ATOM 235 N GLY A 15 1.824 -0.121 -15.294 1.00 0.00 N ATOM 236 CA GLY A 15 2.666 -1.279 -15.045 1.00 0.00 C ATOM 237 C GLY A 15 4.063 -0.853 -14.589 1.00 0.00 C ATOM 238 O GLY A 15 5.023 -0.942 -15.352 1.00 0.00 O ATOM 0 H GLY A 15 1.386 0.274 -14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.207 -1.910 -14.283 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.743 -1.879 -15.952 1.00 0.00 H new ATOM 242 N HIS A 16 4.132 -0.400 -13.346 1.00 0.00 N ATOM 243 CA HIS A 16 5.395 0.040 -12.779 1.00 0.00 C ATOM 244 C HIS A 16 5.381 -0.177 -11.264 1.00 0.00 C ATOM 245 O HIS A 16 4.318 -0.334 -10.666 1.00 0.00 O ATOM 246 CB HIS A 16 5.690 1.490 -13.167 1.00 0.00 C ATOM 247 CG HIS A 16 5.772 1.722 -14.657 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.668 1.649 -15.489 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.835 2.027 -15.455 1.00 0.00 C ATOM 250 CE1 HIS A 16 5.061 1.899 -16.729 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.405 2.133 -16.706 1.00 0.00 N ATOM 0 H HIS A 16 3.333 -0.328 -12.716 1.00 0.00 H new ATOM 0 HA HIS A 16 6.209 -0.557 -13.190 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.913 2.132 -12.752 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.632 1.793 -12.710 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.855 2.160 -15.125 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.429 1.915 -17.604 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.984 2.353 -17.517 1.00 0.00 H new ATOM 259 N PHE A 17 6.574 -0.178 -10.688 1.00 0.00 N ATOM 260 CA PHE A 17 6.712 -0.373 -9.254 1.00 0.00 C ATOM 261 C PHE A 17 7.051 0.943 -8.552 1.00 0.00 C ATOM 262 O PHE A 17 7.802 1.759 -9.085 1.00 0.00 O ATOM 263 CB PHE A 17 7.863 -1.360 -9.046 1.00 0.00 C ATOM 264 CG PHE A 17 7.619 -2.740 -9.659 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.404 -3.337 -9.527 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.616 -3.370 -10.336 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.177 -4.618 -10.096 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.389 -4.651 -10.905 1.00 0.00 C ATOM 269 CZ PHE A 17 7.174 -5.248 -10.773 1.00 0.00 C ATOM 0 H PHE A 17 7.454 -0.047 -11.188 1.00 0.00 H new ATOM 0 HA PHE A 17 5.776 -0.745 -8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.771 -0.938 -9.476 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.040 -1.475 -7.977 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.612 -2.837 -8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.581 -2.896 -10.441 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.212 -5.092 -9.991 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.181 -5.151 -11.443 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.001 -6.222 -11.206 1.00 0.00 H new ATOM 279 N LEU A 18 6.482 1.109 -7.368 1.00 0.00 N ATOM 280 CA LEU A 18 6.714 2.312 -6.587 1.00 0.00 C ATOM 281 C LEU A 18 8.084 2.220 -5.912 1.00 0.00 C ATOM 282 O LEU A 18 8.372 1.249 -5.214 1.00 0.00 O ATOM 283 CB LEU A 18 5.561 2.547 -5.610 1.00 0.00 C ATOM 284 CG LEU A 18 5.464 3.953 -5.013 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.753 4.908 -5.973 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.795 3.920 -3.637 1.00 0.00 C ATOM 0 H LEU A 18 5.860 0.430 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 18 6.736 3.189 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.625 2.326 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.652 1.832 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 18 6.475 4.334 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.697 5.900 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.309 4.963 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.745 4.542 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.739 4.932 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.789 3.511 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.380 3.294 -2.963 1.00 0.00 H new ATOM 298 N ARG A 19 8.892 3.244 -6.144 1.00 0.00 N ATOM 299 CA ARG A 19 10.225 3.291 -5.566 1.00 0.00 C ATOM 300 C ARG A 19 10.429 4.604 -4.808 1.00 0.00 C ATOM 301 O ARG A 19 9.801 5.613 -5.127 1.00 0.00 O ATOM 302 CB ARG A 19 11.299 3.162 -6.648 1.00 0.00 C ATOM 303 CG ARG A 19 11.677 4.534 -7.211 1.00 0.00 C ATOM 304 CD ARG A 19 12.371 4.398 -8.568 1.00 0.00 C ATOM 305 NE ARG A 19 13.840 4.454 -8.393 1.00 0.00 N ATOM 306 CZ ARG A 19 14.709 4.639 -9.396 1.00 0.00 C ATOM 307 NH1 ARG A 19 14.263 4.785 -10.651 1.00 0.00 N ATOM 308 NH2 ARG A 19 16.024 4.676 -9.144 1.00 0.00 N ATOM 0 H ARG A 19 8.650 4.047 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 19 10.317 2.452 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.183 2.679 -6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.935 2.522 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.782 5.147 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.336 5.049 -6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.088 3.456 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.045 5.197 -9.234 1.00 0.00 H new ATOM 0 HE ARG A 19 14.214 4.345 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.262 4.755 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.925 4.926 -11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.364 4.563 -8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.686 4.817 -9.907 1.00 0.00 H new ATOM 322 N ILE A 20 11.309 4.549 -3.820 1.00 0.00 N ATOM 323 CA ILE A 20 11.604 5.722 -3.014 1.00 0.00 C ATOM 324 C ILE A 20 13.110 5.992 -3.045 1.00 0.00 C ATOM 325 O ILE A 20 13.902 5.156 -2.614 1.00 0.00 O ATOM 326 CB ILE A 20 11.038 5.558 -1.602 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.519 5.377 -1.638 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.455 6.725 -0.705 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.962 5.138 -0.233 1.00 0.00 C ATOM 0 H ILE A 20 11.828 3.711 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 20 11.113 6.602 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 20 11.460 4.652 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.054 6.262 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.265 4.535 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.039 6.584 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.542 6.766 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.081 7.659 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.881 5.013 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.411 4.239 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.197 5.992 0.402 1.00 0.00 H new ATOM 341 N LEU A 21 13.458 7.162 -3.560 1.00 0.00 N ATOM 342 CA LEU A 21 14.855 7.552 -3.653 1.00 0.00 C ATOM 343 C LEU A 21 15.324 8.080 -2.296 1.00 0.00 C ATOM 344 O LEU A 21 14.512 8.518 -1.482 1.00 0.00 O ATOM 345 CB LEU A 21 15.059 8.541 -4.802 1.00 0.00 C ATOM 346 CG LEU A 21 14.385 8.180 -6.127 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.587 9.285 -7.165 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.869 6.820 -6.635 1.00 0.00 C ATOM 0 H LEU A 21 12.797 7.852 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 21 15.477 6.689 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.691 9.517 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.129 8.646 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 21 13.312 8.096 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.098 9.002 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.154 10.215 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.653 9.426 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.375 6.587 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.948 6.852 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.630 6.051 -5.900 1.00 0.00 H new ATOM 360 N PRO A 22 16.667 8.019 -2.088 1.00 0.00 N ATOM 361 CA PRO A 22 17.253 8.485 -0.843 1.00 0.00 C ATOM 362 C PRO A 22 17.280 10.014 -0.789 1.00 0.00 C ATOM 363 O PRO A 22 17.669 10.596 0.222 1.00 0.00 O ATOM 364 CB PRO A 22 18.641 7.866 -0.806 1.00 0.00 C ATOM 365 CG PRO A 22 18.954 7.458 -2.236 1.00 0.00 C ATOM 366 CD PRO A 22 17.658 7.506 -3.029 1.00 0.00 C ATOM 0 HA PRO A 22 16.675 8.187 0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.377 8.579 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.666 7.004 -0.139 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.693 8.130 -2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.381 6.455 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.750 8.155 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.381 6.518 -3.396 1.00 0.00 H new ATOM 374 N ASP A 23 16.860 10.621 -1.889 1.00 0.00 N ATOM 375 CA ASP A 23 16.830 12.071 -1.980 1.00 0.00 C ATOM 376 C ASP A 23 15.461 12.578 -1.522 1.00 0.00 C ATOM 377 O ASP A 23 15.309 13.755 -1.196 1.00 0.00 O ATOM 378 CB ASP A 23 17.050 12.538 -3.420 1.00 0.00 C ATOM 379 CG ASP A 23 17.294 14.039 -3.583 1.00 0.00 C ATOM 380 OD1 ASP A 23 17.571 14.685 -2.549 1.00 0.00 O ATOM 381 OD2 ASP A 23 17.199 14.507 -4.738 1.00 0.00 O ATOM 0 H ASP A 23 16.537 10.135 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 23 17.626 12.465 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.902 12.000 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.179 12.260 -4.013 1.00 0.00 H new ATOM 386 N GLY A 24 14.501 11.666 -1.511 1.00 0.00 N ATOM 387 CA GLY A 24 13.150 12.006 -1.099 1.00 0.00 C ATOM 388 C GLY A 24 12.220 12.122 -2.308 1.00 0.00 C ATOM 389 O GLY A 24 11.382 13.021 -2.368 1.00 0.00 O ATOM 0 H GLY A 24 14.632 10.691 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.772 11.245 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.159 12.948 -0.551 1.00 0.00 H new ATOM 393 N THR A 25 12.398 11.199 -3.242 1.00 0.00 N ATOM 394 CA THR A 25 11.586 11.186 -4.446 1.00 0.00 C ATOM 395 C THR A 25 10.812 9.871 -4.554 1.00 0.00 C ATOM 396 O THR A 25 11.296 8.825 -4.123 1.00 0.00 O ATOM 397 CB THR A 25 12.505 11.450 -5.640 1.00 0.00 C ATOM 398 OG1 THR A 25 12.781 12.846 -5.564 1.00 0.00 O ATOM 399 CG2 THR A 25 11.787 11.285 -6.981 1.00 0.00 C ATOM 0 H THR A 25 13.093 10.455 -3.189 1.00 0.00 H new ATOM 0 HA THR A 25 10.830 11.970 -4.420 1.00 0.00 H new ATOM 0 HB THR A 25 13.356 10.771 -5.599 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.373 13.103 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.485 11.484 -7.794 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.409 10.266 -7.068 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.955 11.987 -7.037 1.00 0.00 H new ATOM 407 N VAL A 26 9.623 9.966 -5.130 1.00 0.00 N ATOM 408 CA VAL A 26 8.778 8.796 -5.300 1.00 0.00 C ATOM 409 C VAL A 26 8.254 8.754 -6.737 1.00 0.00 C ATOM 410 O VAL A 26 7.541 9.659 -7.168 1.00 0.00 O ATOM 411 CB VAL A 26 7.660 8.802 -4.256 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.065 7.403 -4.080 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.160 9.358 -2.921 1.00 0.00 C ATOM 0 H VAL A 26 9.224 10.835 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 26 9.352 7.884 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 26 6.868 9.459 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.273 7.436 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.654 7.060 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.844 6.715 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.346 9.351 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.979 8.739 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.512 10.380 -3.062 1.00 0.00 H new ATOM 423 N ASP A 27 8.628 7.695 -7.439 1.00 0.00 N ATOM 424 CA ASP A 27 8.205 7.523 -8.818 1.00 0.00 C ATOM 425 C ASP A 27 8.056 6.031 -9.120 1.00 0.00 C ATOM 426 O ASP A 27 8.576 5.191 -8.387 1.00 0.00 O ATOM 427 CB ASP A 27 9.238 8.101 -9.787 1.00 0.00 C ATOM 428 CG ASP A 27 9.988 9.332 -9.274 1.00 0.00 C ATOM 429 OD1 ASP A 27 9.300 10.329 -8.967 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.233 9.248 -9.201 1.00 0.00 O ATOM 0 H ASP A 27 9.220 6.947 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 27 7.257 8.046 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.965 7.324 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.734 8.363 -10.718 1.00 0.00 H new ATOM 435 N GLY A 28 7.344 5.746 -10.201 1.00 0.00 N ATOM 436 CA GLY A 28 7.121 4.369 -10.608 1.00 0.00 C ATOM 437 C GLY A 28 8.218 3.896 -11.564 1.00 0.00 C ATOM 438 O GLY A 28 8.758 4.687 -12.336 1.00 0.00 O ATOM 0 H GLY A 28 6.914 6.445 -10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.097 3.725 -9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.149 4.282 -11.093 1.00 0.00 H new ATOM 442 N THR A 29 8.515 2.607 -11.481 1.00 0.00 N ATOM 443 CA THR A 29 9.538 2.019 -12.328 1.00 0.00 C ATOM 444 C THR A 29 9.274 0.525 -12.524 1.00 0.00 C ATOM 445 O THR A 29 8.931 -0.178 -11.575 1.00 0.00 O ATOM 446 CB THR A 29 10.901 2.318 -11.701 1.00 0.00 C ATOM 447 OG1 THR A 29 11.797 2.333 -12.809 1.00 0.00 O ATOM 448 CG2 THR A 29 11.409 1.169 -10.827 1.00 0.00 C ATOM 0 H THR A 29 8.065 1.954 -10.840 1.00 0.00 H new ATOM 0 HA THR A 29 9.522 2.454 -13.327 1.00 0.00 H new ATOM 0 HB THR A 29 10.833 3.227 -11.103 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.705 2.522 -12.493 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.379 1.433 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.701 0.986 -10.019 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.509 0.268 -11.432 1.00 0.00 H new ATOM 456 N ARG A 30 9.444 0.083 -13.762 1.00 0.00 N ATOM 457 CA ARG A 30 9.228 -1.315 -14.094 1.00 0.00 C ATOM 458 C ARG A 30 10.562 -2.000 -14.397 1.00 0.00 C ATOM 459 O ARG A 30 10.725 -2.608 -15.453 1.00 0.00 O ATOM 460 CB ARG A 30 8.303 -1.456 -15.305 1.00 0.00 C ATOM 461 CG ARG A 30 7.932 -2.921 -15.542 1.00 0.00 C ATOM 462 CD ARG A 30 7.611 -3.174 -17.017 1.00 0.00 C ATOM 463 NE ARG A 30 7.934 -4.573 -17.373 1.00 0.00 N ATOM 464 CZ ARG A 30 9.156 -4.996 -17.724 1.00 0.00 C ATOM 465 NH1 ARG A 30 10.178 -4.130 -17.769 1.00 0.00 N ATOM 466 NH2 ARG A 30 9.357 -6.285 -18.031 1.00 0.00 N ATOM 0 H ARG A 30 9.729 0.669 -14.547 1.00 0.00 H new ATOM 0 HA ARG A 30 8.758 -1.792 -13.234 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.398 -0.869 -15.147 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.794 -1.053 -16.191 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.755 -3.563 -15.230 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.071 -3.186 -14.928 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.556 -2.976 -17.207 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.182 -2.489 -17.644 1.00 0.00 H new ATOM 0 HE ARG A 30 7.179 -5.259 -17.350 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.026 -3.149 -17.536 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.108 -4.452 -18.036 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.580 -6.944 -17.998 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.287 -6.607 -18.298 1.00 0.00 H new ATOM 480 N ASP A 31 11.481 -1.879 -13.450 1.00 0.00 N ATOM 481 CA ASP A 31 12.795 -2.480 -13.603 1.00 0.00 C ATOM 482 C ASP A 31 13.201 -3.148 -12.287 1.00 0.00 C ATOM 483 O ASP A 31 13.875 -2.538 -11.459 1.00 0.00 O ATOM 484 CB ASP A 31 13.848 -1.423 -13.940 1.00 0.00 C ATOM 485 CG ASP A 31 14.993 -1.911 -14.830 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.716 -2.781 -15.684 1.00 0.00 O ATOM 487 OD2 ASP A 31 16.119 -1.403 -14.637 1.00 0.00 O ATOM 0 H ASP A 31 11.342 -1.374 -12.575 1.00 0.00 H new ATOM 0 HA ASP A 31 12.741 -3.207 -14.413 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.355 -0.586 -14.434 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.268 -1.041 -13.010 1.00 0.00 H new ATOM 492 N ARG A 32 12.774 -4.393 -12.137 1.00 0.00 N ATOM 493 CA ARG A 32 13.085 -5.151 -10.937 1.00 0.00 C ATOM 494 C ARG A 32 14.526 -4.883 -10.498 1.00 0.00 C ATOM 495 O ARG A 32 14.826 -4.887 -9.305 1.00 0.00 O ATOM 496 CB ARG A 32 12.901 -6.652 -11.170 1.00 0.00 C ATOM 497 CG ARG A 32 11.434 -6.989 -11.443 1.00 0.00 C ATOM 498 CD ARG A 32 11.150 -7.027 -12.946 1.00 0.00 C ATOM 499 NE ARG A 32 10.442 -8.279 -13.295 1.00 0.00 N ATOM 500 CZ ARG A 32 11.038 -9.474 -13.402 1.00 0.00 C ATOM 501 NH1 ARG A 32 12.355 -9.588 -13.187 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.315 -10.556 -13.724 1.00 0.00 N ATOM 0 H ARG A 32 12.215 -4.896 -12.826 1.00 0.00 H new ATOM 0 HA ARG A 32 12.397 -4.829 -10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.514 -6.970 -12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.248 -7.204 -10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.190 -7.954 -10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.792 -6.248 -10.967 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.546 -6.166 -13.232 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.085 -6.960 -13.503 1.00 0.00 H new ATOM 0 HE ARG A 32 9.437 -8.229 -13.465 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.905 -8.765 -12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.808 -10.498 -13.269 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.312 -10.469 -13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.768 -11.466 -13.806 1.00 0.00 H new ATOM 516 N SER A 33 15.379 -4.656 -11.485 1.00 0.00 N ATOM 517 CA SER A 33 16.781 -4.386 -11.216 1.00 0.00 C ATOM 518 C SER A 33 16.912 -3.451 -10.012 1.00 0.00 C ATOM 519 O SER A 33 17.653 -3.741 -9.074 1.00 0.00 O ATOM 520 CB SER A 33 17.470 -3.777 -12.439 1.00 0.00 C ATOM 521 OG SER A 33 18.634 -3.037 -12.082 1.00 0.00 O ATOM 0 H SER A 33 15.126 -4.653 -12.473 1.00 0.00 H new ATOM 0 HA SER A 33 17.274 -5.331 -10.989 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.744 -4.571 -13.134 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.771 -3.124 -12.961 1.00 0.00 H new ATOM 0 HG SER A 33 19.046 -2.666 -12.890 1.00 0.00 H new ATOM 527 N ASP A 34 16.182 -2.348 -10.078 1.00 0.00 N ATOM 528 CA ASP A 34 16.207 -1.368 -9.005 1.00 0.00 C ATOM 529 C ASP A 34 16.010 -2.080 -7.665 1.00 0.00 C ATOM 530 O ASP A 34 15.338 -3.109 -7.598 1.00 0.00 O ATOM 531 CB ASP A 34 15.081 -0.345 -9.167 1.00 0.00 C ATOM 532 CG ASP A 34 15.492 1.111 -8.940 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.598 1.493 -7.755 1.00 0.00 O ATOM 534 OD2 ASP A 34 15.693 1.809 -9.957 1.00 0.00 O ATOM 0 H ASP A 34 15.569 -2.111 -10.858 1.00 0.00 H new ATOM 0 HA ASP A 34 17.168 -0.855 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.668 -0.438 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.281 -0.594 -8.469 1.00 0.00 H new ATOM 539 N GLN A 35 16.607 -1.505 -6.632 1.00 0.00 N ATOM 540 CA GLN A 35 16.506 -2.072 -5.298 1.00 0.00 C ATOM 541 C GLN A 35 15.752 -1.116 -4.371 1.00 0.00 C ATOM 542 O GLN A 35 15.350 -1.498 -3.273 1.00 0.00 O ATOM 543 CB GLN A 35 17.890 -2.403 -4.737 1.00 0.00 C ATOM 544 CG GLN A 35 18.540 -3.546 -5.518 1.00 0.00 C ATOM 545 CD GLN A 35 20.011 -3.708 -5.131 1.00 0.00 C ATOM 546 OE1 GLN A 35 20.831 -2.825 -5.322 1.00 0.00 O ATOM 547 NE2 GLN A 35 20.299 -4.883 -4.579 1.00 0.00 N ATOM 0 H GLN A 35 17.163 -0.652 -6.692 1.00 0.00 H new ATOM 0 HA GLN A 35 15.944 -3.004 -5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.526 -1.519 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.804 -2.679 -3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.005 -4.475 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.461 -3.351 -6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 35 19.565 -5.578 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 35 21.254 -5.089 -4.287 1.00 0.00 H new ATOM 556 N HIS A 36 15.583 0.109 -4.847 1.00 0.00 N ATOM 557 CA HIS A 36 14.885 1.122 -4.075 1.00 0.00 C ATOM 558 C HIS A 36 13.377 0.869 -4.140 1.00 0.00 C ATOM 559 O HIS A 36 12.614 1.444 -3.366 1.00 0.00 O ATOM 560 CB HIS A 36 15.271 2.526 -4.545 1.00 0.00 C ATOM 561 CG HIS A 36 16.681 2.928 -4.184 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.797 2.272 -4.674 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.144 3.926 -3.378 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.877 2.857 -4.178 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.471 3.881 -3.375 1.00 0.00 N ATOM 0 H HIS A 36 15.918 0.423 -5.758 1.00 0.00 H new ATOM 0 HA HIS A 36 15.185 1.057 -3.029 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.154 2.581 -5.627 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.577 3.247 -4.113 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.789 1.474 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.535 4.633 -2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.900 2.573 -4.375 1.00 0.00 H new ATOM 573 N ILE A 37 12.994 0.007 -5.071 1.00 0.00 N ATOM 574 CA ILE A 37 11.592 -0.329 -5.247 1.00 0.00 C ATOM 575 C ILE A 37 11.160 -1.293 -4.140 1.00 0.00 C ATOM 576 O ILE A 37 9.998 -1.300 -3.736 1.00 0.00 O ATOM 577 CB ILE A 37 11.342 -0.863 -6.659 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.118 -2.159 -6.900 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.661 0.201 -7.712 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.803 -2.738 -8.281 1.00 0.00 C ATOM 0 H ILE A 37 13.630 -0.468 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 37 10.972 0.563 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 37 10.282 -1.100 -6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.188 -1.967 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.864 -2.887 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.475 -0.204 -8.707 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.028 1.073 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.708 0.493 -7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.368 -3.659 -8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.736 -2.951 -8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.080 -2.017 -9.050 1.00 0.00 H new ATOM 592 N GLN A 38 12.119 -2.084 -3.681 1.00 0.00 N ATOM 593 CA GLN A 38 11.852 -3.050 -2.629 1.00 0.00 C ATOM 594 C GLN A 38 11.268 -2.349 -1.400 1.00 0.00 C ATOM 595 O GLN A 38 12.007 -1.921 -0.515 1.00 0.00 O ATOM 596 CB GLN A 38 13.118 -3.828 -2.265 1.00 0.00 C ATOM 597 CG GLN A 38 13.456 -4.860 -3.342 1.00 0.00 C ATOM 598 CD GLN A 38 14.495 -5.863 -2.835 1.00 0.00 C ATOM 599 OE1 GLN A 38 14.899 -5.848 -1.684 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.903 -6.732 -3.756 1.00 0.00 N ATOM 0 H GLN A 38 13.082 -2.076 -4.018 1.00 0.00 H new ATOM 0 HA GLN A 38 11.118 -3.766 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.952 -3.137 -2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.978 -4.329 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.551 -5.389 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.837 -4.354 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.523 -6.689 -4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.595 -7.442 -3.516 1.00 0.00 H new ATOM 609 N LEU A 39 9.946 -2.253 -1.386 1.00 0.00 N ATOM 610 CA LEU A 39 9.254 -1.612 -0.281 1.00 0.00 C ATOM 611 C LEU A 39 8.768 -2.681 0.700 1.00 0.00 C ATOM 612 O LEU A 39 8.377 -3.773 0.290 1.00 0.00 O ATOM 613 CB LEU A 39 8.140 -0.703 -0.803 1.00 0.00 C ATOM 614 CG LEU A 39 8.581 0.664 -1.330 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.459 1.332 -2.127 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.084 1.554 -0.192 1.00 0.00 C ATOM 0 H LEU A 39 9.336 -2.609 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 39 9.934 -0.961 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.616 -1.227 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.420 -0.546 0.000 1.00 0.00 H new ATOM 0 HG LEU A 39 9.416 0.513 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.798 2.302 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.189 0.701 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.589 1.469 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.391 2.520 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.285 1.701 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.934 1.076 0.295 1.00 0.00 H new ATOM 628 N GLN A 40 8.807 -2.329 1.976 1.00 0.00 N ATOM 629 CA GLN A 40 8.375 -3.244 3.019 1.00 0.00 C ATOM 630 C GLN A 40 7.016 -2.814 3.573 1.00 0.00 C ATOM 631 O GLN A 40 6.898 -1.754 4.186 1.00 0.00 O ATOM 632 CB GLN A 40 9.418 -3.335 4.135 1.00 0.00 C ATOM 633 CG GLN A 40 10.007 -4.745 4.220 1.00 0.00 C ATOM 634 CD GLN A 40 9.560 -5.449 5.504 1.00 0.00 C ATOM 635 OE1 GLN A 40 8.397 -5.761 5.698 1.00 0.00 O ATOM 636 NE2 GLN A 40 10.547 -5.679 6.365 1.00 0.00 N ATOM 0 H GLN A 40 9.131 -1.422 2.312 1.00 0.00 H new ATOM 0 HA GLN A 40 8.270 -4.237 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.215 -2.614 3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.960 -3.070 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.693 -5.327 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.095 -4.691 4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.499 -5.391 6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.352 -6.143 7.252 1.00 0.00 H new ATOM 645 N LEU A 41 6.022 -3.658 3.337 1.00 0.00 N ATOM 646 CA LEU A 41 4.675 -3.379 3.805 1.00 0.00 C ATOM 647 C LEU A 41 4.468 -4.037 5.170 1.00 0.00 C ATOM 648 O LEU A 41 4.842 -5.191 5.371 1.00 0.00 O ATOM 649 CB LEU A 41 3.645 -3.802 2.755 1.00 0.00 C ATOM 650 CG LEU A 41 3.424 -2.824 1.600 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.680 -1.990 1.340 1.00 0.00 C ATOM 652 CD2 LEU A 41 2.953 -3.558 0.343 1.00 0.00 C ATOM 0 H LEU A 41 6.123 -4.536 2.827 1.00 0.00 H new ATOM 0 HA LEU A 41 4.533 -2.307 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.953 -4.761 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.690 -3.963 3.256 1.00 0.00 H new ATOM 0 HG LEU A 41 2.631 -2.132 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.496 -1.303 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.931 -1.422 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.509 -2.650 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.803 -2.840 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.706 -4.287 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.014 -4.071 0.551 1.00 0.00 H new ATOM 664 N SER A 42 3.872 -3.273 6.075 1.00 0.00 N ATOM 665 CA SER A 42 3.610 -3.767 7.416 1.00 0.00 C ATOM 666 C SER A 42 2.189 -3.393 7.843 1.00 0.00 C ATOM 667 O SER A 42 1.582 -2.491 7.268 1.00 0.00 O ATOM 668 CB SER A 42 4.628 -3.215 8.415 1.00 0.00 C ATOM 669 OG SER A 42 5.175 -1.970 7.987 1.00 0.00 O ATOM 0 H SER A 42 3.563 -2.316 5.905 1.00 0.00 H new ATOM 0 HA SER A 42 3.705 -4.853 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.150 -3.086 9.386 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.433 -3.938 8.549 1.00 0.00 H new ATOM 0 HG SER A 42 5.819 -1.650 8.652 1.00 0.00 H new ATOM 675 N ALA A 43 1.701 -4.104 8.849 1.00 0.00 N ATOM 676 CA ALA A 43 0.363 -3.858 9.360 1.00 0.00 C ATOM 677 C ALA A 43 0.443 -3.545 10.855 1.00 0.00 C ATOM 678 O ALA A 43 1.062 -4.288 11.616 1.00 0.00 O ATOM 679 CB ALA A 43 -0.527 -5.066 9.064 1.00 0.00 C ATOM 0 H ALA A 43 2.208 -4.851 9.324 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.084 -2.995 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.530 -4.881 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.574 -5.228 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.112 -5.951 9.546 1.00 0.00 H new ATOM 685 N GLU A 44 -0.191 -2.445 11.232 1.00 0.00 N ATOM 686 CA GLU A 44 -0.200 -2.025 12.623 1.00 0.00 C ATOM 687 C GLU A 44 -1.615 -2.120 13.197 1.00 0.00 C ATOM 688 O GLU A 44 -1.823 -2.728 14.246 1.00 0.00 O ATOM 689 CB GLU A 44 0.358 -0.608 12.771 1.00 0.00 C ATOM 690 CG GLU A 44 1.575 -0.400 11.868 1.00 0.00 C ATOM 691 CD GLU A 44 2.775 0.106 12.672 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.532 0.857 13.641 1.00 0.00 O ATOM 693 OE2 GLU A 44 3.907 -0.269 12.298 1.00 0.00 O ATOM 0 H GLU A 44 -0.703 -1.831 10.598 1.00 0.00 H new ATOM 0 HA GLU A 44 0.446 -2.696 13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.414 0.119 12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.637 -0.430 13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.832 -1.338 11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.331 0.315 11.083 1.00 0.00 H new ATOM 700 N SER A 45 -2.550 -1.509 12.486 1.00 0.00 N ATOM 701 CA SER A 45 -3.939 -1.517 12.912 1.00 0.00 C ATOM 702 C SER A 45 -4.823 -2.092 11.803 1.00 0.00 C ATOM 703 O SER A 45 -4.402 -2.177 10.650 1.00 0.00 O ATOM 704 CB SER A 45 -4.408 -0.110 13.289 1.00 0.00 C ATOM 705 OG SER A 45 -3.320 0.802 13.405 1.00 0.00 O ATOM 0 H SER A 45 -2.373 -1.005 11.617 1.00 0.00 H new ATOM 0 HA SER A 45 -4.022 -2.147 13.797 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.107 0.253 12.535 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.950 -0.150 14.234 1.00 0.00 H new ATOM 0 HG SER A 45 -3.407 1.503 12.726 1.00 0.00 H new ATOM 711 N VAL A 46 -6.033 -2.470 12.190 1.00 0.00 N ATOM 712 CA VAL A 46 -6.979 -3.034 11.243 1.00 0.00 C ATOM 713 C VAL A 46 -7.295 -1.996 10.164 1.00 0.00 C ATOM 714 O VAL A 46 -7.864 -0.946 10.456 1.00 0.00 O ATOM 715 CB VAL A 46 -8.226 -3.527 11.981 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.761 -2.454 12.932 1.00 0.00 C ATOM 717 CG2 VAL A 46 -9.307 -3.973 10.994 1.00 0.00 C ATOM 0 H VAL A 46 -6.379 -2.397 13.147 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.548 -3.901 10.743 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.941 -4.392 12.579 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.647 -2.830 13.444 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.996 -2.205 13.667 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.022 -1.561 12.364 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.182 -4.319 11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.587 -3.134 10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.923 -4.785 10.376 1.00 0.00 H new ATOM 727 N GLY A 47 -6.910 -2.327 8.940 1.00 0.00 N ATOM 728 CA GLY A 47 -7.144 -1.436 7.816 1.00 0.00 C ATOM 729 C GLY A 47 -6.035 -0.388 7.706 1.00 0.00 C ATOM 730 O GLY A 47 -6.212 0.643 7.059 1.00 0.00 O ATOM 0 H GLY A 47 -6.438 -3.199 8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.195 -2.014 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.107 -0.940 7.935 1.00 0.00 H new ATOM 734 N GLU A 48 -4.916 -0.688 8.349 1.00 0.00 N ATOM 735 CA GLU A 48 -3.778 0.215 8.331 1.00 0.00 C ATOM 736 C GLU A 48 -2.510 -0.537 7.921 1.00 0.00 C ATOM 737 O GLU A 48 -2.210 -1.598 8.466 1.00 0.00 O ATOM 738 CB GLU A 48 -3.597 0.895 9.690 1.00 0.00 C ATOM 739 CG GLU A 48 -4.808 1.765 10.033 1.00 0.00 C ATOM 740 CD GLU A 48 -4.404 2.937 10.929 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.352 2.719 12.159 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.158 4.025 10.365 1.00 0.00 O ATOM 0 H GLU A 48 -4.773 -1.544 8.886 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.969 0.995 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.457 0.139 10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.696 1.508 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.261 2.143 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.563 1.161 10.536 1.00 0.00 H new ATOM 749 N VAL A 49 -1.799 0.043 6.965 1.00 0.00 N ATOM 750 CA VAL A 49 -0.571 -0.559 6.475 1.00 0.00 C ATOM 751 C VAL A 49 0.501 0.524 6.333 1.00 0.00 C ATOM 752 O VAL A 49 0.185 1.685 6.075 1.00 0.00 O ATOM 753 CB VAL A 49 -0.840 -1.309 5.170 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.911 -2.384 5.365 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.232 -0.341 4.052 1.00 0.00 C ATOM 0 H VAL A 49 -2.050 0.924 6.517 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.197 -1.296 7.186 1.00 0.00 H new ATOM 0 HB VAL A 49 0.083 -1.807 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.083 -2.902 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.576 -3.099 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.839 -1.918 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.418 -0.900 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.135 0.198 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.423 0.370 3.886 1.00 0.00 H new ATOM 765 N TYR A 50 1.746 0.106 6.507 1.00 0.00 N ATOM 766 CA TYR A 50 2.866 1.025 6.401 1.00 0.00 C ATOM 767 C TYR A 50 3.812 0.610 5.273 1.00 0.00 C ATOM 768 O TYR A 50 4.161 -0.564 5.151 1.00 0.00 O ATOM 769 CB TYR A 50 3.612 0.937 7.734 1.00 0.00 C ATOM 770 CG TYR A 50 3.198 2.003 8.751 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.006 3.307 8.343 1.00 0.00 C ATOM 772 CD2 TYR A 50 3.017 1.660 10.075 1.00 0.00 C ATOM 773 CE1 TYR A 50 2.617 4.310 9.300 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.627 2.663 11.032 1.00 0.00 C ATOM 775 CZ TYR A 50 2.446 3.939 10.597 1.00 0.00 C ATOM 776 OH TYR A 50 2.079 4.886 11.501 1.00 0.00 O ATOM 0 H TYR A 50 2.004 -0.857 6.721 1.00 0.00 H new ATOM 0 HA TYR A 50 2.515 2.034 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.444 -0.049 8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.682 1.025 7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.147 3.575 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.168 0.639 10.394 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.464 5.335 8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.482 2.408 12.071 1.00 0.00 H new ATOM 0 HH TYR A 50 1.993 4.476 12.387 1.00 0.00 H new ATOM 786 N ILE A 51 4.200 1.595 4.476 1.00 0.00 N ATOM 787 CA ILE A 51 5.098 1.346 3.362 1.00 0.00 C ATOM 788 C ILE A 51 6.425 2.066 3.611 1.00 0.00 C ATOM 789 O ILE A 51 6.498 3.291 3.517 1.00 0.00 O ATOM 790 CB ILE A 51 4.430 1.728 2.039 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.932 1.418 2.072 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.129 1.054 0.857 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.248 1.886 0.786 1.00 0.00 C ATOM 0 H ILE A 51 3.909 2.567 4.580 1.00 0.00 H new ATOM 0 HA ILE A 51 5.322 0.282 3.284 1.00 0.00 H new ATOM 0 HB ILE A 51 4.533 2.804 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.781 0.346 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.474 1.908 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.635 1.342 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.172 1.367 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.079 -0.029 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.184 1.654 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.380 2.962 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.692 1.376 -0.069 1.00 0.00 H new ATOM 805 N LYS A 52 7.441 1.276 3.924 1.00 0.00 N ATOM 806 CA LYS A 52 8.761 1.823 4.188 1.00 0.00 C ATOM 807 C LYS A 52 9.756 1.254 3.174 1.00 0.00 C ATOM 808 O LYS A 52 9.568 0.148 2.669 1.00 0.00 O ATOM 809 CB LYS A 52 9.160 1.580 5.645 1.00 0.00 C ATOM 810 CG LYS A 52 8.451 2.563 6.579 1.00 0.00 C ATOM 811 CD LYS A 52 8.301 1.974 7.983 1.00 0.00 C ATOM 812 CE LYS A 52 6.939 2.329 8.583 1.00 0.00 C ATOM 813 NZ LYS A 52 6.331 1.142 9.227 1.00 0.00 N ATOM 0 H LYS A 52 7.377 0.261 4.001 1.00 0.00 H new ATOM 0 HA LYS A 52 8.758 2.905 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.909 0.558 5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.240 1.685 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.016 3.494 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.468 2.808 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.413 0.891 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.096 2.351 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.055 3.128 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.278 2.705 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.344 1.351 9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.358 0.338 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.864 0.903 10.087 1.00 0.00 H new ATOM 827 N SER A 53 10.793 2.035 2.908 1.00 0.00 N ATOM 828 CA SER A 53 11.818 1.622 1.965 1.00 0.00 C ATOM 829 C SER A 53 12.901 0.819 2.687 1.00 0.00 C ATOM 830 O SER A 53 13.418 1.252 3.716 1.00 0.00 O ATOM 831 CB SER A 53 12.435 2.831 1.258 1.00 0.00 C ATOM 832 OG SER A 53 12.409 2.691 -0.160 1.00 0.00 O ATOM 0 H SER A 53 10.945 2.951 3.329 1.00 0.00 H new ATOM 0 HA SER A 53 11.352 0.991 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.894 3.733 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.465 2.959 1.591 1.00 0.00 H new ATOM 0 HG SER A 53 13.069 3.295 -0.560 1.00 0.00 H new ATOM 838 N THR A 54 13.214 -0.337 2.119 1.00 0.00 N ATOM 839 CA THR A 54 14.227 -1.204 2.696 1.00 0.00 C ATOM 840 C THR A 54 15.603 -0.882 2.108 1.00 0.00 C ATOM 841 O THR A 54 16.555 -1.636 2.299 1.00 0.00 O ATOM 842 CB THR A 54 13.794 -2.653 2.468 1.00 0.00 C ATOM 843 OG1 THR A 54 13.723 -2.776 1.050 1.00 0.00 O ATOM 844 CG2 THR A 54 12.361 -2.917 2.937 1.00 0.00 C ATOM 0 H THR A 54 12.784 -0.693 1.265 1.00 0.00 H new ATOM 0 HA THR A 54 14.321 -1.042 3.770 1.00 0.00 H new ATOM 0 HB THR A 54 14.477 -3.322 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.811 -2.578 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.104 -3.960 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.283 -2.708 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.674 -2.272 2.389 1.00 0.00 H new ATOM 852 N GLU A 55 15.663 0.240 1.406 1.00 0.00 N ATOM 853 CA GLU A 55 16.906 0.672 0.790 1.00 0.00 C ATOM 854 C GLU A 55 17.519 1.827 1.583 1.00 0.00 C ATOM 855 O GLU A 55 18.629 1.710 2.099 1.00 0.00 O ATOM 856 CB GLU A 55 16.685 1.067 -0.672 1.00 0.00 C ATOM 857 CG GLU A 55 17.994 1.517 -1.322 1.00 0.00 C ATOM 858 CD GLU A 55 18.982 0.354 -1.430 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.498 -0.790 -1.569 1.00 0.00 O ATOM 860 OE2 GLU A 55 20.198 0.635 -1.372 1.00 0.00 O ATOM 0 H GLU A 55 14.871 0.863 1.250 1.00 0.00 H new ATOM 0 HA GLU A 55 17.605 -0.164 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.273 0.221 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.952 1.871 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.791 1.920 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.437 2.322 -0.736 1.00 0.00 H new ATOM 867 N THR A 56 16.768 2.917 1.655 1.00 0.00 N ATOM 868 CA THR A 56 17.224 4.093 2.377 1.00 0.00 C ATOM 869 C THR A 56 16.745 4.046 3.829 1.00 0.00 C ATOM 870 O THR A 56 17.554 3.966 4.752 1.00 0.00 O ATOM 871 CB THR A 56 16.742 5.330 1.618 1.00 0.00 C ATOM 872 OG1 THR A 56 15.329 5.322 1.803 1.00 0.00 O ATOM 873 CG2 THR A 56 16.921 5.195 0.104 1.00 0.00 C ATOM 0 H THR A 56 15.848 3.010 1.225 1.00 0.00 H new ATOM 0 HA THR A 56 18.312 4.129 2.428 1.00 0.00 H new ATOM 0 HB THR A 56 17.285 6.207 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.895 5.736 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.563 6.100 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.977 5.050 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.351 4.338 -0.255 1.00 0.00 H new ATOM 881 N GLY A 57 15.430 4.098 3.987 1.00 0.00 N ATOM 882 CA GLY A 57 14.833 4.063 5.311 1.00 0.00 C ATOM 883 C GLY A 57 13.900 5.257 5.524 1.00 0.00 C ATOM 884 O GLY A 57 13.903 5.869 6.591 1.00 0.00 O ATOM 0 H GLY A 57 14.761 4.164 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.276 3.135 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.617 4.070 6.068 1.00 0.00 H new ATOM 888 N GLN A 58 13.124 5.552 4.491 1.00 0.00 N ATOM 889 CA GLN A 58 12.188 6.662 4.552 1.00 0.00 C ATOM 890 C GLN A 58 10.751 6.150 4.432 1.00 0.00 C ATOM 891 O GLN A 58 10.460 5.295 3.597 1.00 0.00 O ATOM 892 CB GLN A 58 12.494 7.697 3.468 1.00 0.00 C ATOM 893 CG GLN A 58 13.998 7.962 3.372 1.00 0.00 C ATOM 894 CD GLN A 58 14.341 8.714 2.084 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.953 9.769 2.095 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.914 8.113 0.977 1.00 0.00 N ATOM 0 H GLN A 58 13.124 5.042 3.608 1.00 0.00 H new ATOM 0 HA GLN A 58 12.299 7.154 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.121 7.343 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.971 8.627 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.324 8.543 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.540 7.017 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.407 7.230 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.094 8.535 0.066 1.00 0.00 H new ATOM 905 N TYR A 59 9.890 6.697 5.277 1.00 0.00 N ATOM 906 CA TYR A 59 8.490 6.307 5.276 1.00 0.00 C ATOM 907 C TYR A 59 7.742 6.952 4.107 1.00 0.00 C ATOM 908 O TYR A 59 7.923 8.136 3.827 1.00 0.00 O ATOM 909 CB TYR A 59 7.906 6.830 6.590 1.00 0.00 C ATOM 910 CG TYR A 59 8.696 6.413 7.832 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.506 5.163 8.384 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.600 7.288 8.399 1.00 0.00 C ATOM 913 CE1 TYR A 59 9.250 4.771 9.553 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.345 6.896 9.568 1.00 0.00 C ATOM 915 CZ TYR A 59 10.133 5.657 10.087 1.00 0.00 C ATOM 916 OH TYR A 59 10.836 5.287 11.191 1.00 0.00 O ATOM 0 H TYR A 59 10.135 7.407 5.967 1.00 0.00 H new ATOM 0 HA TYR A 59 8.393 5.226 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.862 7.918 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.881 6.473 6.687 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.799 4.478 7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.749 8.266 7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.110 3.796 9.996 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.056 7.571 10.022 1.00 0.00 H new ATOM 0 HH TYR A 59 11.429 6.019 11.462 1.00 0.00 H new ATOM 926 N LEU A 60 6.917 6.144 3.457 1.00 0.00 N ATOM 927 CA LEU A 60 6.142 6.621 2.324 1.00 0.00 C ATOM 928 C LEU A 60 4.950 7.433 2.834 1.00 0.00 C ATOM 929 O LEU A 60 4.042 6.886 3.459 1.00 0.00 O ATOM 930 CB LEU A 60 5.747 5.455 1.416 1.00 0.00 C ATOM 931 CG LEU A 60 4.822 5.798 0.247 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.623 6.023 -1.038 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.742 4.729 0.069 1.00 0.00 C ATOM 0 H LEU A 60 6.768 5.163 3.693 1.00 0.00 H new ATOM 0 HA LEU A 60 6.743 7.288 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.657 5.009 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.261 4.694 2.026 1.00 0.00 H new ATOM 0 HG LEU A 60 4.313 6.734 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.942 6.265 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.322 6.847 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.177 5.117 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.098 4.998 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.212 3.766 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.145 4.661 0.978 1.00 0.00 H new ATOM 945 N ALA A 61 4.990 8.727 2.549 1.00 0.00 N ATOM 946 CA ALA A 61 3.925 9.620 2.971 1.00 0.00 C ATOM 947 C ALA A 61 3.595 10.587 1.833 1.00 0.00 C ATOM 948 O ALA A 61 4.442 10.867 0.986 1.00 0.00 O ATOM 949 CB ALA A 61 4.345 10.347 4.251 1.00 0.00 C ATOM 0 H ALA A 61 5.744 9.178 2.031 1.00 0.00 H new ATOM 0 HA ALA A 61 3.020 9.057 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.546 11.017 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.539 9.617 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.249 10.925 4.061 1.00 0.00 H new ATOM 955 N MET A 62 2.361 11.070 1.848 1.00 0.00 N ATOM 956 CA MET A 62 1.909 12.000 0.827 1.00 0.00 C ATOM 957 C MET A 62 1.866 13.430 1.369 1.00 0.00 C ATOM 958 O MET A 62 1.568 13.645 2.543 1.00 0.00 O ATOM 959 CB MET A 62 0.514 11.593 0.348 1.00 0.00 C ATOM 960 CG MET A 62 0.088 12.422 -0.865 1.00 0.00 C ATOM 961 SD MET A 62 0.332 11.483 -2.363 1.00 0.00 S ATOM 962 CE MET A 62 -0.682 10.058 -2.004 1.00 0.00 C ATOM 0 H MET A 62 1.660 10.835 2.551 1.00 0.00 H new ATOM 0 HA MET A 62 2.612 11.968 -0.005 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.509 10.534 0.089 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.205 11.727 1.156 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.960 12.707 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.667 13.345 -0.906 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.686 9.388 -2.864 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.279 9.534 -1.138 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.701 10.381 -1.791 1.00 0.00 H new ATOM 972 N ASP A 63 2.167 14.372 0.487 1.00 0.00 N ATOM 973 CA ASP A 63 2.166 15.776 0.862 1.00 0.00 C ATOM 974 C ASP A 63 0.834 16.408 0.451 1.00 0.00 C ATOM 975 O ASP A 63 0.102 15.848 -0.363 1.00 0.00 O ATOM 976 CB ASP A 63 3.288 16.536 0.152 1.00 0.00 C ATOM 977 CG ASP A 63 3.597 16.057 -1.267 1.00 0.00 C ATOM 978 OD1 ASP A 63 2.654 16.069 -2.088 1.00 0.00 O ATOM 979 OD2 ASP A 63 4.769 15.691 -1.501 1.00 0.00 O ATOM 0 H ASP A 63 2.413 14.191 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 63 2.314 15.837 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.022 17.592 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.195 16.458 0.751 1.00 0.00 H new ATOM 984 N THR A 64 0.561 17.566 1.034 1.00 0.00 N ATOM 985 CA THR A 64 -0.670 18.280 0.740 1.00 0.00 C ATOM 986 C THR A 64 -0.857 18.419 -0.773 1.00 0.00 C ATOM 987 O THR A 64 -1.983 18.410 -1.266 1.00 0.00 O ATOM 988 CB THR A 64 -0.624 19.623 1.472 1.00 0.00 C ATOM 989 OG1 THR A 64 0.457 20.318 0.856 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.191 19.479 2.932 1.00 0.00 C ATOM 0 H THR A 64 1.171 18.028 1.709 1.00 0.00 H new ATOM 0 HA THR A 64 -1.541 17.729 1.095 1.00 0.00 H new ATOM 0 HB THR A 64 -1.606 20.093 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.556 21.201 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.175 20.461 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.895 18.834 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.806 19.040 2.974 1.00 0.00 H new ATOM 998 N ASP A 65 0.265 18.545 -1.466 1.00 0.00 N ATOM 999 CA ASP A 65 0.239 18.685 -2.912 1.00 0.00 C ATOM 1000 C ASP A 65 -0.406 17.443 -3.529 1.00 0.00 C ATOM 1001 O ASP A 65 -0.850 17.475 -4.676 1.00 0.00 O ATOM 1002 CB ASP A 65 1.655 18.813 -3.479 1.00 0.00 C ATOM 1003 CG ASP A 65 2.417 20.064 -3.037 1.00 0.00 C ATOM 1004 OD1 ASP A 65 3.017 20.005 -1.942 1.00 0.00 O ATOM 1005 OD2 ASP A 65 2.383 21.050 -3.804 1.00 0.00 O ATOM 0 H ASP A 65 1.198 18.553 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.329 19.584 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.229 17.934 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.596 18.807 -4.567 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.438 16.378 -2.742 1.00 0.00 N ATOM 1011 CA GLY A 66 -1.022 15.128 -3.196 1.00 0.00 C ATOM 1012 C GLY A 66 0.046 14.211 -3.797 1.00 0.00 C ATOM 1013 O GLY A 66 -0.278 13.227 -4.460 1.00 0.00 O ATOM 0 H GLY A 66 -0.068 16.355 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.510 14.626 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.793 15.331 -3.940 1.00 0.00 H new ATOM 1017 N LEU A 67 1.296 14.566 -3.543 1.00 0.00 N ATOM 1018 CA LEU A 67 2.413 13.788 -4.050 1.00 0.00 C ATOM 1019 C LEU A 67 3.026 12.978 -2.906 1.00 0.00 C ATOM 1020 O LEU A 67 2.806 13.286 -1.735 1.00 0.00 O ATOM 1021 CB LEU A 67 3.416 14.693 -4.768 1.00 0.00 C ATOM 1022 CG LEU A 67 2.902 15.400 -6.024 1.00 0.00 C ATOM 1023 CD1 LEU A 67 1.755 14.615 -6.664 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.505 16.845 -5.716 1.00 0.00 C ATOM 0 H LEU A 67 1.560 15.383 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 67 2.070 13.074 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.761 15.451 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.284 14.094 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 67 3.713 15.437 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.408 15.139 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.105 13.621 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.934 14.526 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.143 17.325 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.717 16.853 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.372 17.388 -5.340 1.00 0.00 H new ATOM 1036 N LEU A 68 3.783 11.958 -3.284 1.00 0.00 N ATOM 1037 CA LEU A 68 4.429 11.101 -2.304 1.00 0.00 C ATOM 1038 C LEU A 68 5.877 11.557 -2.110 1.00 0.00 C ATOM 1039 O LEU A 68 6.538 11.957 -3.067 1.00 0.00 O ATOM 1040 CB LEU A 68 4.295 9.631 -2.706 1.00 0.00 C ATOM 1041 CG LEU A 68 2.867 9.110 -2.877 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.813 7.991 -3.920 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.279 8.671 -1.535 1.00 0.00 C ATOM 0 H LEU A 68 3.963 11.706 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 68 3.935 11.188 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.830 9.481 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.795 9.022 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 68 2.248 9.927 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.787 7.638 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.164 8.371 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.450 7.166 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.263 8.305 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.892 7.876 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.262 9.519 -0.851 1.00 0.00 H new ATOM 1055 N TYR A 69 6.326 11.481 -0.866 1.00 0.00 N ATOM 1056 CA TYR A 69 7.683 11.880 -0.535 1.00 0.00 C ATOM 1057 C TYR A 69 8.236 11.041 0.618 1.00 0.00 C ATOM 1058 O TYR A 69 7.474 10.506 1.422 1.00 0.00 O ATOM 1059 CB TYR A 69 7.596 13.342 -0.091 1.00 0.00 C ATOM 1060 CG TYR A 69 6.861 13.546 1.235 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.414 13.077 2.410 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.646 14.199 1.257 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.722 13.269 3.658 1.00 0.00 C ATOM 1064 CE2 TYR A 69 4.954 14.391 2.506 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.527 13.917 3.644 1.00 0.00 C ATOM 1066 OH TYR A 69 4.873 14.098 4.824 1.00 0.00 O ATOM 0 H TYR A 69 5.774 11.149 -0.075 1.00 0.00 H new ATOM 0 HA TYR A 69 8.343 11.741 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.605 13.745 -0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.091 13.917 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.365 12.566 2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.214 14.566 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.143 12.906 4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.002 14.900 2.537 1.00 0.00 H new ATOM 0 HH TYR A 69 4.033 14.577 4.663 1.00 0.00 H new ATOM 1076 N GLY A 70 9.557 10.952 0.663 1.00 0.00 N ATOM 1077 CA GLY A 70 10.221 10.187 1.705 1.00 0.00 C ATOM 1078 C GLY A 70 10.231 10.956 3.028 1.00 0.00 C ATOM 1079 O GLY A 70 10.908 11.975 3.152 1.00 0.00 O ATOM 0 H GLY A 70 10.186 11.397 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.713 9.232 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.244 9.964 1.402 1.00 0.00 H new ATOM 1083 N SER A 71 9.473 10.437 3.983 1.00 0.00 N ATOM 1084 CA SER A 71 9.386 11.062 5.292 1.00 0.00 C ATOM 1085 C SER A 71 10.529 10.571 6.183 1.00 0.00 C ATOM 1086 O SER A 71 10.726 9.367 6.339 1.00 0.00 O ATOM 1087 CB SER A 71 8.037 10.772 5.952 1.00 0.00 C ATOM 1088 OG SER A 71 7.143 10.102 5.068 1.00 0.00 O ATOM 0 H SER A 71 8.914 9.591 3.876 1.00 0.00 H new ATOM 0 HA SER A 71 9.472 12.141 5.162 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.192 10.162 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.586 11.708 6.282 1.00 0.00 H new ATOM 0 HG SER A 71 6.566 9.499 5.582 1.00 0.00 H new ATOM 1094 N GLN A 72 11.253 11.529 6.743 1.00 0.00 N ATOM 1095 CA GLN A 72 12.371 11.210 7.614 1.00 0.00 C ATOM 1096 C GLN A 72 11.887 10.418 8.831 1.00 0.00 C ATOM 1097 O GLN A 72 12.392 9.332 9.110 1.00 0.00 O ATOM 1098 CB GLN A 72 13.112 12.478 8.044 1.00 0.00 C ATOM 1099 CG GLN A 72 14.536 12.154 8.499 1.00 0.00 C ATOM 1100 CD GLN A 72 15.554 13.061 7.805 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.264 14.183 7.422 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.758 12.514 7.664 1.00 0.00 N ATOM 0 H GLN A 72 11.087 12.527 6.610 1.00 0.00 H new ATOM 0 HA GLN A 72 13.074 10.590 7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.144 13.184 7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.569 12.963 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.613 12.276 9.579 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.763 11.111 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.933 11.570 8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.507 13.039 7.212 1.00 0.00 H new ATOM 1111 N THR A 73 10.915 10.994 9.522 1.00 0.00 N ATOM 1112 CA THR A 73 10.357 10.356 10.702 1.00 0.00 C ATOM 1113 C THR A 73 8.984 9.759 10.387 1.00 0.00 C ATOM 1114 O THR A 73 8.313 10.195 9.453 1.00 0.00 O ATOM 1115 CB THR A 73 10.325 11.391 11.829 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.753 12.546 11.223 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.726 11.844 12.246 1.00 0.00 C ATOM 0 H THR A 73 10.499 11.896 9.288 1.00 0.00 H new ATOM 0 HA THR A 73 10.974 9.518 11.027 1.00 0.00 H new ATOM 0 HB THR A 73 9.806 10.973 12.692 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.693 13.267 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.647 12.578 13.048 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.297 10.984 12.596 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.232 12.293 11.392 1.00 0.00 H new ATOM 1125 N PRO A 74 8.596 8.745 11.206 1.00 0.00 N ATOM 1126 CA PRO A 74 7.315 8.084 11.024 1.00 0.00 C ATOM 1127 C PRO A 74 6.167 8.967 11.518 1.00 0.00 C ATOM 1128 O PRO A 74 6.085 9.278 12.705 1.00 0.00 O ATOM 1129 CB PRO A 74 7.433 6.778 11.794 1.00 0.00 C ATOM 1130 CG PRO A 74 8.595 6.966 12.756 1.00 0.00 C ATOM 1131 CD PRO A 74 9.364 8.203 12.323 1.00 0.00 C ATOM 0 HA PRO A 74 7.085 7.894 9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.511 6.557 12.333 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.616 5.942 11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.230 7.081 13.777 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.244 6.090 12.746 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.443 8.925 13.136 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.380 7.951 12.020 1.00 0.00 H new ATOM 1139 N ASN A 75 5.310 9.346 10.581 1.00 0.00 N ATOM 1140 CA ASN A 75 4.171 10.187 10.906 1.00 0.00 C ATOM 1141 C ASN A 75 2.888 9.511 10.418 1.00 0.00 C ATOM 1142 O ASN A 75 2.924 8.686 9.507 1.00 0.00 O ATOM 1143 CB ASN A 75 4.278 11.549 10.218 1.00 0.00 C ATOM 1144 CG ASN A 75 5.507 12.317 10.710 1.00 0.00 C ATOM 1145 OD1 ASN A 75 5.821 12.347 11.888 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.182 12.933 9.744 1.00 0.00 N ATOM 0 H ASN A 75 5.382 9.086 9.597 1.00 0.00 H new ATOM 0 HA ASN A 75 4.154 10.329 11.987 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.339 11.411 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.378 12.132 10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.018 13.472 9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.864 12.867 8.777 1.00 0.00 H new ATOM 1153 N GLU A 76 1.783 9.886 11.048 1.00 0.00 N ATOM 1154 CA GLU A 76 0.491 9.326 10.689 1.00 0.00 C ATOM 1155 C GLU A 76 0.296 9.371 9.173 1.00 0.00 C ATOM 1156 O GLU A 76 -0.454 8.570 8.616 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.642 10.057 11.411 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.947 9.262 11.330 1.00 0.00 C ATOM 1159 CD GLU A 76 -3.052 9.938 12.144 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -3.743 10.799 11.558 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -3.181 9.578 13.334 1.00 0.00 O ATOM 0 H GLU A 76 1.756 10.570 11.804 1.00 0.00 H new ATOM 0 HA GLU A 76 0.467 8.284 11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.371 10.213 12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.784 11.043 10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.259 9.174 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.784 8.250 11.701 1.00 0.00 H new ATOM 1168 N GLU A 77 0.982 10.315 8.547 1.00 0.00 N ATOM 1169 CA GLU A 77 0.894 10.475 7.106 1.00 0.00 C ATOM 1170 C GLU A 77 1.462 9.243 6.399 1.00 0.00 C ATOM 1171 O GLU A 77 1.059 8.923 5.281 1.00 0.00 O ATOM 1172 CB GLU A 77 1.610 11.748 6.650 1.00 0.00 C ATOM 1173 CG GLU A 77 0.790 12.993 6.996 1.00 0.00 C ATOM 1174 CD GLU A 77 1.360 14.234 6.306 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.449 14.200 5.060 1.00 0.00 O ATOM 1176 OE2 GLU A 77 1.693 15.189 7.041 1.00 0.00 O ATOM 0 H GLU A 77 1.602 10.978 9.012 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.157 10.573 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.589 11.809 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.780 11.708 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.246 12.847 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.787 13.142 8.076 1.00 0.00 H new ATOM 1183 N CYS A 78 2.389 8.585 7.079 1.00 0.00 N ATOM 1184 CA CYS A 78 3.017 7.395 6.530 1.00 0.00 C ATOM 1185 C CYS A 78 2.043 6.225 6.681 1.00 0.00 C ATOM 1186 O CYS A 78 2.199 5.194 6.029 1.00 0.00 O ATOM 1187 CB CYS A 78 4.363 7.107 7.198 1.00 0.00 C ATOM 1188 SG CYS A 78 5.428 8.593 7.127 1.00 0.00 S ATOM 0 H CYS A 78 2.721 8.853 8.006 1.00 0.00 H new ATOM 0 HA CYS A 78 3.236 7.550 5.474 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.207 6.810 8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.855 6.273 6.698 1.00 0.00 H new ATOM 0 HG CYS A 78 4.844 9.576 7.746 1.00 0.00 H new ATOM 1194 N LEU A 79 1.058 6.424 7.546 1.00 0.00 N ATOM 1195 CA LEU A 79 0.059 5.398 7.791 1.00 0.00 C ATOM 1196 C LEU A 79 -1.083 5.554 6.785 1.00 0.00 C ATOM 1197 O LEU A 79 -1.770 6.575 6.773 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.398 5.433 9.250 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.108 4.177 9.761 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.538 2.919 9.104 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.056 4.100 11.288 1.00 0.00 C ATOM 0 H LEU A 79 0.931 7.280 8.085 1.00 0.00 H new ATOM 0 HA LEU A 79 0.486 4.407 7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.474 5.615 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.068 6.283 9.380 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.159 4.240 9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.060 2.041 9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.671 2.980 8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.524 2.838 9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.568 3.198 11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.017 4.071 11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.546 4.976 11.713 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.252 4.527 5.965 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.299 4.538 4.957 1.00 0.00 C ATOM 1215 C PHE A 80 -3.322 3.430 5.218 1.00 0.00 C ATOM 1216 O PHE A 80 -3.065 2.515 5.999 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.624 4.286 3.608 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.867 5.495 3.055 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.204 5.993 3.729 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.266 6.072 1.889 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.906 7.115 3.215 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.563 7.194 1.376 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.508 7.692 2.050 1.00 0.00 C ATOM 0 H PHE A 80 -0.681 3.682 5.978 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.824 5.493 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.930 3.452 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.382 3.983 2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.520 5.535 4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.117 5.677 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.757 7.510 3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.879 7.652 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.042 8.546 1.660 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.459 3.549 4.549 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.521 2.569 4.698 1.00 0.00 C ATOM 1235 C LEU A 81 -5.537 1.650 3.475 1.00 0.00 C ATOM 1236 O LEU A 81 -5.536 2.123 2.339 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.858 3.264 4.962 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.840 4.376 6.013 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -7.929 5.414 5.732 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.950 3.798 7.425 1.00 0.00 C ATOM 0 H LEU A 81 -4.668 4.309 3.902 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.338 1.939 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.218 3.685 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.582 2.510 5.272 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.881 4.890 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.894 6.193 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.764 5.858 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.906 4.931 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.935 4.610 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.884 3.243 7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.110 3.129 7.611 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.552 0.354 3.748 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.568 -0.635 2.684 1.00 0.00 C ATOM 1254 C GLU A 82 -6.936 -1.315 2.612 1.00 0.00 C ATOM 1255 O GLU A 82 -7.624 -1.444 3.624 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.453 -1.666 2.877 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.501 -2.735 1.784 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.352 -3.929 2.222 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -4.893 -4.649 3.135 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -6.442 -4.095 1.633 1.00 0.00 O ATOM 0 H GLU A 82 -5.553 -0.034 4.691 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.387 -0.125 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.484 -1.167 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.553 -2.136 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.912 -2.307 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.490 -3.070 1.553 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.292 -1.731 1.406 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.566 -2.395 1.188 1.00 0.00 C ATOM 1269 C ARG A 83 -8.515 -3.238 -0.088 1.00 0.00 C ATOM 1270 O ARG A 83 -7.756 -2.934 -1.007 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.704 -1.378 1.074 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.876 -1.762 1.979 1.00 0.00 C ATOM 1273 CD ARG A 83 -11.964 -2.490 1.188 1.00 0.00 C ATOM 1274 NE ARG A 83 -12.156 -3.855 1.728 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.168 -4.663 1.386 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.086 -4.249 0.502 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -13.262 -5.885 1.927 1.00 0.00 N ATOM 0 H ARG A 83 -6.720 -1.621 0.569 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.754 -3.040 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.340 -0.387 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.043 -1.320 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.521 -2.400 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.294 -0.866 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.899 -1.933 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.686 -2.542 0.135 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.475 -4.202 2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.014 -3.319 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.857 -4.864 0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.563 -6.200 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.033 -6.500 1.666 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.333 -4.280 -0.103 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.390 -5.169 -1.251 1.00 0.00 C ATOM 1293 C LEU A 84 -10.540 -4.742 -2.165 1.00 0.00 C ATOM 1294 O LEU A 84 -11.669 -4.569 -1.708 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.476 -6.627 -0.795 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.471 -7.679 -1.907 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -10.888 -7.942 -2.419 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -8.519 -7.279 -3.035 1.00 0.00 C ATOM 0 H LEU A 84 -9.961 -4.529 0.661 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.473 -5.095 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.638 -6.828 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.387 -6.751 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.101 -8.615 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.856 -8.693 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.510 -8.303 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.309 -7.018 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.534 -8.043 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.836 -6.325 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.507 -7.183 -2.640 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.213 -4.583 -3.439 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.205 -4.179 -4.421 1.00 0.00 C ATOM 1312 C GLU A 85 -11.731 -5.400 -5.178 1.00 0.00 C ATOM 1313 O GLU A 85 -11.078 -6.442 -5.213 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.629 -3.142 -5.387 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.449 -1.789 -4.695 1.00 0.00 C ATOM 1316 CD GLU A 85 -11.685 -0.908 -4.883 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -12.228 -0.924 -6.009 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -12.060 -0.238 -3.897 1.00 0.00 O ATOM 0 H GLU A 85 -9.275 -4.727 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.039 -3.714 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.669 -3.490 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.292 -3.031 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.266 -1.942 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.573 -1.283 -5.100 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.907 -5.231 -5.766 1.00 0.00 N ATOM 1326 CA GLU A 86 -13.528 -6.307 -6.520 1.00 0.00 C ATOM 1327 C GLU A 86 -12.788 -6.525 -7.841 1.00 0.00 C ATOM 1328 O GLU A 86 -13.145 -5.938 -8.861 1.00 0.00 O ATOM 1329 CB GLU A 86 -15.011 -6.021 -6.763 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.882 -7.173 -6.259 1.00 0.00 C ATOM 1331 CD GLU A 86 -15.820 -8.366 -7.216 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -15.921 -8.120 -8.437 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -15.673 -9.497 -6.704 1.00 0.00 O ATOM 0 H GLU A 86 -13.446 -4.365 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.460 -7.223 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.294 -5.098 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.186 -5.868 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.548 -7.480 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.914 -6.836 -6.158 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.769 -7.370 -7.779 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.976 -7.673 -8.958 1.00 0.00 C ATOM 1342 C ASN A 87 -9.785 -8.546 -8.556 1.00 0.00 C ATOM 1343 O ASN A 87 -9.876 -9.773 -8.574 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.430 -6.395 -9.598 1.00 0.00 C ATOM 1345 CG ASN A 87 -11.308 -5.950 -10.770 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -12.319 -6.556 -11.086 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.867 -4.862 -11.394 1.00 0.00 N ATOM 0 H ASN A 87 -11.475 -7.854 -6.931 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.618 -8.189 -9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.384 -5.602 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.411 -6.565 -9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.383 -4.486 -12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.013 -4.403 -11.077 1.00 0.00 H new ATOM 1354 N HIS A 88 -8.696 -7.879 -8.203 1.00 0.00 N ATOM 1355 CA HIS A 88 -7.489 -8.579 -7.797 1.00 0.00 C ATOM 1356 C HIS A 88 -6.377 -7.565 -7.518 1.00 0.00 C ATOM 1357 O HIS A 88 -5.216 -7.808 -7.842 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.090 -9.624 -8.840 1.00 0.00 C ATOM 1359 CG HIS A 88 -6.849 -11.001 -8.269 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -6.723 -12.130 -9.060 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -6.711 -11.419 -6.977 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -6.519 -13.174 -8.270 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.513 -12.731 -6.980 1.00 0.00 N ATOM 0 H HIS A 88 -8.624 -6.862 -8.190 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.675 -9.126 -6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -7.874 -9.687 -9.595 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.185 -9.289 -9.347 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.755 -10.789 -6.101 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.382 -14.196 -8.591 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.378 -13.313 -6.153 1.00 0.00 H new ATOM 1371 N TYR A 89 -6.773 -6.451 -6.920 1.00 0.00 N ATOM 1372 CA TYR A 89 -5.825 -5.399 -6.594 1.00 0.00 C ATOM 1373 C TYR A 89 -6.122 -4.800 -5.219 1.00 0.00 C ATOM 1374 O TYR A 89 -7.145 -5.111 -4.610 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.012 -4.318 -7.660 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.583 -4.747 -9.065 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.244 -4.907 -9.358 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.535 -4.974 -10.038 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.840 -5.311 -10.680 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.131 -5.378 -11.360 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.804 -5.527 -11.616 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.423 -5.909 -12.864 1.00 0.00 O ATOM 0 H TYR A 89 -7.737 -6.254 -6.653 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.809 -5.792 -6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.062 -4.025 -7.685 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.442 -3.435 -7.371 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.499 -4.729 -8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.583 -4.849 -9.808 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.796 -5.440 -10.923 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.866 -5.559 -12.131 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.217 -6.028 -13.426 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.210 -3.951 -4.769 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.362 -3.305 -3.476 1.00 0.00 C ATOM 1394 C ASN A 90 -5.252 -1.789 -3.652 1.00 0.00 C ATOM 1395 O ASN A 90 -4.660 -1.314 -4.621 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.265 -3.749 -2.506 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.390 -5.239 -2.181 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.663 -6.066 -3.036 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.177 -5.533 -0.902 1.00 0.00 N ATOM 0 H ASN A 90 -4.363 -3.695 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.335 -3.584 -3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.286 -3.549 -2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.329 -3.166 -1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.238 -6.500 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.952 -4.791 -0.239 1.00 0.00 H new ATOM 1406 N THR A 91 -5.831 -1.071 -2.701 1.00 0.00 N ATOM 1407 CA THR A 91 -5.805 0.381 -2.739 1.00 0.00 C ATOM 1408 C THR A 91 -5.265 0.939 -1.420 1.00 0.00 C ATOM 1409 O THR A 91 -5.524 0.383 -0.354 1.00 0.00 O ATOM 1410 CB THR A 91 -7.216 0.870 -3.073 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.071 -0.069 -2.427 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.551 0.719 -4.558 1.00 0.00 C ATOM 0 H THR A 91 -6.321 -1.468 -1.899 1.00 0.00 H new ATOM 0 HA THR A 91 -5.128 0.745 -3.512 1.00 0.00 H new ATOM 0 HB THR A 91 -7.316 1.916 -2.783 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.006 0.174 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.563 1.080 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.845 1.300 -5.151 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.484 -0.331 -4.841 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.525 2.032 -1.537 1.00 0.00 N ATOM 1421 CA TYR A 92 -3.946 2.672 -0.368 1.00 0.00 C ATOM 1422 C TYR A 92 -4.316 4.156 -0.315 1.00 0.00 C ATOM 1423 O TYR A 92 -4.201 4.864 -1.314 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.430 2.542 -0.523 1.00 0.00 C ATOM 1425 CG TYR A 92 -1.930 1.097 -0.561 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.102 0.278 0.537 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.307 0.611 -1.693 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.631 -1.082 0.502 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.836 -0.749 -1.728 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.022 -1.529 -0.629 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.577 -2.814 -0.662 1.00 0.00 O ATOM 0 H TYR A 92 -4.313 2.490 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.314 2.206 0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.124 3.046 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.945 3.062 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.590 0.658 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.173 1.251 -2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.758 -1.733 1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.346 -1.141 -2.607 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.164 -2.995 -1.532 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.754 4.582 0.861 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.141 5.969 1.057 1.00 0.00 C ATOM 1443 C ILE A 93 -4.560 6.474 2.379 1.00 0.00 C ATOM 1444 O ILE A 93 -4.462 5.721 3.346 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.660 6.120 0.955 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.144 5.844 -0.470 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.109 7.494 1.456 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.609 5.401 -0.475 1.00 0.00 C ATOM 0 H ILE A 93 -4.849 3.991 1.687 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.727 6.596 0.267 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.122 5.374 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.030 6.742 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.525 5.071 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.193 7.575 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.815 7.615 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.639 8.272 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.928 5.211 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.715 4.489 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.228 6.187 -0.042 1.00 0.00 H new ATOM 1460 N SER A 94 -4.190 7.747 2.378 1.00 0.00 N ATOM 1461 CA SER A 94 -3.622 8.362 3.565 1.00 0.00 C ATOM 1462 C SER A 94 -4.708 8.554 4.626 1.00 0.00 C ATOM 1463 O SER A 94 -5.830 8.941 4.307 1.00 0.00 O ATOM 1464 CB SER A 94 -2.964 9.702 3.230 1.00 0.00 C ATOM 1465 OG SER A 94 -1.915 10.023 4.139 1.00 0.00 O ATOM 0 H SER A 94 -4.273 8.369 1.574 1.00 0.00 H new ATOM 0 HA SER A 94 -2.852 7.698 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.567 9.667 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.716 10.491 3.251 1.00 0.00 H new ATOM 0 HG SER A 94 -1.416 10.797 3.803 1.00 0.00 H new ATOM 1471 N LYS A 95 -4.335 8.274 5.866 1.00 0.00 N ATOM 1472 CA LYS A 95 -5.263 8.411 6.976 1.00 0.00 C ATOM 1473 C LYS A 95 -5.465 9.896 7.285 1.00 0.00 C ATOM 1474 O LYS A 95 -6.598 10.363 7.390 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.786 7.592 8.177 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.846 7.569 9.280 1.00 0.00 C ATOM 1477 CD LYS A 95 -7.193 7.085 8.737 1.00 0.00 C ATOM 1478 CE LYS A 95 -8.118 6.649 9.874 1.00 0.00 C ATOM 1479 NZ LYS A 95 -7.637 5.386 10.478 1.00 0.00 N ATOM 0 H LYS A 95 -3.403 7.953 6.127 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.239 8.005 6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.562 6.573 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.860 8.016 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.520 6.915 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.958 8.568 9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.666 7.883 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.035 6.252 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.162 7.429 10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.131 6.515 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.243 4.600 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.657 5.208 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.673 5.461 11.515 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.349 10.596 7.423 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.389 12.018 7.719 1.00 0.00 C ATOM 1495 C LYS A 96 -5.160 12.742 6.613 1.00 0.00 C ATOM 1496 O LYS A 96 -5.592 13.880 6.796 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.976 12.560 7.939 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.960 13.618 9.044 1.00 0.00 C ATOM 1499 CD LYS A 96 -2.199 14.867 8.597 1.00 0.00 C ATOM 1500 CE LYS A 96 -2.549 16.068 9.479 1.00 0.00 C ATOM 1501 NZ LYS A 96 -2.428 17.327 8.711 1.00 0.00 N ATOM 0 H LYS A 96 -3.411 10.205 7.335 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.923 12.198 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.306 11.742 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.600 12.992 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.982 13.887 9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.495 13.206 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.126 14.679 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.440 15.092 7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.565 15.963 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.886 16.097 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.669 18.132 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.452 17.432 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.078 17.303 7.900 1.00 0.00 H new ATOM 1515 N HIS A 97 -5.310 12.054 5.491 1.00 0.00 N ATOM 1516 CA HIS A 97 -6.021 12.617 4.357 1.00 0.00 C ATOM 1517 C HIS A 97 -7.074 11.621 3.865 1.00 0.00 C ATOM 1518 O HIS A 97 -7.487 11.671 2.707 1.00 0.00 O ATOM 1519 CB HIS A 97 -5.044 13.038 3.257 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.701 13.498 3.773 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -3.082 14.652 3.325 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -2.867 12.948 4.702 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -1.927 14.781 3.962 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -1.796 13.723 4.814 1.00 0.00 N ATOM 0 H HIS A 97 -4.951 11.111 5.343 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.543 13.523 4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.893 12.199 2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.493 13.842 2.674 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -3.452 15.294 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.048 12.037 5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.215 15.582 3.830 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.477 10.741 4.769 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.473 9.735 4.441 1.00 0.00 C ATOM 1534 C ALA A 98 -9.722 10.422 3.885 1.00 0.00 C ATOM 1535 O ALA A 98 -10.199 10.072 2.807 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.775 8.892 5.682 1.00 0.00 C ATOM 0 H ALA A 98 -7.132 10.703 5.728 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.098 9.060 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.522 8.137 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.862 8.402 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.156 9.535 6.475 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.215 11.387 4.646 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.399 12.127 4.243 1.00 0.00 C ATOM 1544 C GLU A 99 -11.147 12.853 2.921 1.00 0.00 C ATOM 1545 O GLU A 99 -12.084 13.149 2.182 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.831 13.108 5.334 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.474 12.372 6.511 1.00 0.00 C ATOM 1548 CD GLU A 99 -11.838 12.796 7.837 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -12.346 13.776 8.423 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -10.857 12.130 8.234 1.00 0.00 O ATOM 0 H GLU A 99 -9.816 11.674 5.540 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.214 11.418 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.967 13.673 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.537 13.828 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.544 12.580 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.361 11.296 6.377 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.875 13.120 2.663 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.487 13.807 1.442 1.00 0.00 C ATOM 1559 C LYS A 100 -9.621 12.847 0.258 1.00 0.00 C ATOM 1560 O LYS A 100 -9.569 13.270 -0.896 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.089 14.411 1.588 1.00 0.00 C ATOM 1562 CG LYS A 100 -8.020 15.347 2.797 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.522 16.735 2.387 1.00 0.00 C ATOM 1564 CE LYS A 100 -8.653 17.564 1.774 1.00 0.00 C ATOM 1565 NZ LYS A 100 -8.109 18.764 1.101 1.00 0.00 N ATOM 0 H LYS A 100 -9.100 12.873 3.278 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.154 14.648 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.354 13.614 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.830 14.960 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.006 15.431 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.354 14.926 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.118 17.252 3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.708 16.636 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.209 16.959 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.356 17.863 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.887 19.415 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.435 19.241 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.623 18.481 0.226 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.792 11.575 0.585 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.934 10.552 -0.438 1.00 0.00 C ATOM 1581 C ASN A 101 -8.804 10.697 -1.459 1.00 0.00 C ATOM 1582 O ASN A 101 -9.050 11.003 -2.624 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.264 10.698 -1.181 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.336 11.302 -0.272 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.441 12.506 -0.108 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -13.125 10.400 0.306 1.00 0.00 N ATOM 0 H ASN A 101 -9.836 11.229 1.543 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.898 9.579 0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.127 11.331 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.593 9.723 -1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.873 10.702 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.982 9.406 0.125 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.588 10.470 -0.984 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.419 10.571 -1.841 1.00 0.00 C ATOM 1595 C TRP A 102 -5.844 9.165 -2.024 1.00 0.00 C ATOM 1596 O TRP A 102 -5.653 8.437 -1.052 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.403 11.562 -1.268 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.887 13.013 -1.257 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -7.045 13.500 -1.723 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.174 14.153 -0.733 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.131 14.865 -1.539 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.957 15.275 -0.918 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.910 14.235 -0.124 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.563 16.559 -0.521 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.530 15.524 0.267 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.307 16.663 0.088 1.00 0.00 C ATOM 0 H TRP A 102 -7.387 10.216 -0.017 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.691 10.966 -2.820 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.156 11.265 -0.249 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.483 11.501 -1.850 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.815 12.899 -2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.912 15.463 -1.809 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.281 13.371 0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.194 17.422 -0.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.567 15.642 0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.943 17.625 0.418 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.585 8.826 -3.279 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.036 7.520 -3.603 1.00 0.00 C ATOM 1619 C PHE A 103 -3.612 7.644 -4.149 1.00 0.00 C ATOM 1620 O PHE A 103 -3.271 8.642 -4.783 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.933 6.913 -4.683 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.382 6.701 -4.241 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -8.278 7.719 -4.335 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.774 5.492 -3.755 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.623 7.522 -3.925 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.120 5.295 -3.345 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.016 6.314 -3.438 1.00 0.00 C ATOM 0 H PHE A 103 -5.745 9.433 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.000 6.899 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.922 7.563 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.514 5.955 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.967 8.678 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.063 4.683 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.334 8.331 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.432 4.336 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.039 6.164 -3.125 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.819 6.617 -3.883 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.440 6.598 -4.341 1.00 0.00 C ATOM 1639 C VAL A 104 -1.413 6.418 -5.860 1.00 0.00 C ATOM 1640 O VAL A 104 -1.414 7.397 -6.605 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.656 5.515 -3.596 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.749 5.357 -4.179 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.598 5.813 -2.097 1.00 0.00 C ATOM 0 H VAL A 104 -3.105 5.792 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.951 7.546 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.182 4.569 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.285 4.581 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.677 5.076 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.287 6.301 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.035 5.028 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.107 6.773 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.610 5.851 -1.694 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.390 5.159 -6.274 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.363 4.839 -7.691 1.00 0.00 C ATOM 1655 C GLY A 105 -0.250 5.607 -8.406 1.00 0.00 C ATOM 1656 O GLY A 105 0.403 6.461 -7.808 1.00 0.00 O ATOM 0 H GLY A 105 -1.390 4.350 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.213 3.767 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.325 5.083 -8.141 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.067 5.276 -9.676 1.00 0.00 N ATOM 1661 CA LEU A 106 0.956 5.924 -10.479 1.00 0.00 C ATOM 1662 C LEU A 106 0.394 6.220 -11.871 1.00 0.00 C ATOM 1663 O LEU A 106 -0.199 5.348 -12.504 1.00 0.00 O ATOM 1664 CB LEU A 106 2.234 5.084 -10.498 1.00 0.00 C ATOM 1665 CG LEU A 106 2.894 4.836 -9.140 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.803 3.606 -9.189 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.641 6.082 -8.658 1.00 0.00 C ATOM 0 H LEU A 106 -0.610 4.567 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 106 1.237 6.880 -10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.004 4.119 -10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.958 5.575 -11.147 1.00 0.00 H new ATOM 0 HG LEU A 106 2.110 4.628 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.260 3.452 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.214 2.729 -9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.584 3.760 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.101 5.879 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.415 6.344 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.940 6.911 -8.560 1.00 0.00 H new ATOM 1679 N LYS A 107 0.599 7.455 -12.306 1.00 0.00 N ATOM 1680 CA LYS A 107 0.120 7.877 -13.612 1.00 0.00 C ATOM 1681 C LYS A 107 0.676 6.936 -14.683 1.00 0.00 C ATOM 1682 O LYS A 107 1.210 5.875 -14.365 1.00 0.00 O ATOM 1683 CB LYS A 107 0.454 9.350 -13.854 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.137 10.235 -12.754 1.00 0.00 C ATOM 1685 CD LYS A 107 0.208 11.706 -12.989 1.00 0.00 C ATOM 1686 CE LYS A 107 -0.852 12.386 -13.857 1.00 0.00 C ATOM 1687 NZ LYS A 107 -1.470 13.518 -13.130 1.00 0.00 N ATOM 0 H LYS A 107 1.090 8.176 -11.778 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.967 7.808 -13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.536 9.480 -13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.065 9.660 -14.824 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.220 10.112 -12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.245 9.919 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.285 12.222 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.182 11.782 -13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.399 12.744 -14.781 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.619 11.664 -14.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.187 13.968 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.920 13.168 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.738 14.214 -12.885 1.00 0.00 H new ATOM 1701 N LYS A 108 0.530 7.360 -15.930 1.00 0.00 N ATOM 1702 CA LYS A 108 1.011 6.568 -17.050 1.00 0.00 C ATOM 1703 C LYS A 108 2.455 6.963 -17.365 1.00 0.00 C ATOM 1704 O LYS A 108 3.143 6.268 -18.110 1.00 0.00 O ATOM 1705 CB LYS A 108 0.063 6.698 -18.243 1.00 0.00 C ATOM 1706 CG LYS A 108 -0.178 5.339 -18.903 1.00 0.00 C ATOM 1707 CD LYS A 108 -0.766 5.506 -20.306 1.00 0.00 C ATOM 1708 CE LYS A 108 0.312 5.332 -21.377 1.00 0.00 C ATOM 1709 NZ LYS A 108 0.594 3.896 -21.599 1.00 0.00 N ATOM 0 H LYS A 108 0.086 8.241 -16.189 1.00 0.00 H new ATOM 0 HA LYS A 108 1.019 5.509 -16.793 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.887 7.119 -17.913 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.483 7.391 -18.972 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.761 4.788 -18.962 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.857 4.748 -18.288 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.559 4.774 -20.461 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.220 6.493 -20.399 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.015 5.793 -22.309 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.224 5.845 -21.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.328 3.795 -22.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.926 3.466 -20.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.274 3.416 -21.912 1.00 0.00 H new ATOM 1723 N ASN A 109 2.870 8.078 -16.782 1.00 0.00 N ATOM 1724 CA ASN A 109 4.220 8.574 -16.992 1.00 0.00 C ATOM 1725 C ASN A 109 5.162 7.920 -15.979 1.00 0.00 C ATOM 1726 O ASN A 109 6.332 8.288 -15.886 1.00 0.00 O ATOM 1727 CB ASN A 109 4.288 10.089 -16.791 1.00 0.00 C ATOM 1728 CG ASN A 109 4.329 10.819 -18.134 1.00 0.00 C ATOM 1729 OD1 ASN A 109 4.833 10.320 -19.127 1.00 0.00 O ATOM 1730 ND2 ASN A 109 3.771 12.026 -18.111 1.00 0.00 N ATOM 0 H ASN A 109 2.296 8.652 -16.165 1.00 0.00 H new ATOM 0 HA ASN A 109 4.513 8.333 -18.014 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.423 10.423 -16.218 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.173 10.343 -16.208 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.747 12.593 -18.958 1.00 0.00 H new ATOM 0 HD22 ASN A 109 3.367 12.385 -17.246 1.00 0.00 H new ATOM 1737 N GLY A 110 4.617 6.960 -15.246 1.00 0.00 N ATOM 1738 CA GLY A 110 5.394 6.252 -14.243 1.00 0.00 C ATOM 1739 C GLY A 110 5.663 7.141 -13.028 1.00 0.00 C ATOM 1740 O GLY A 110 6.676 6.981 -12.349 1.00 0.00 O ATOM 0 H GLY A 110 3.647 6.656 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.859 5.355 -13.930 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.340 5.925 -14.675 1.00 0.00 H new ATOM 1744 N SER A 111 4.738 8.060 -12.791 1.00 0.00 N ATOM 1745 CA SER A 111 4.863 8.976 -11.670 1.00 0.00 C ATOM 1746 C SER A 111 3.651 8.840 -10.746 1.00 0.00 C ATOM 1747 O SER A 111 2.610 8.325 -11.153 1.00 0.00 O ATOM 1748 CB SER A 111 5.004 10.421 -12.151 1.00 0.00 C ATOM 1749 OG SER A 111 6.364 10.845 -12.178 1.00 0.00 O ATOM 0 H SER A 111 3.899 8.190 -13.356 1.00 0.00 H new ATOM 0 HA SER A 111 5.766 8.717 -11.116 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.575 10.514 -13.149 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.432 11.078 -11.496 1.00 0.00 H new ATOM 0 HG SER A 111 6.411 11.772 -12.492 1.00 0.00 H new ATOM 1755 N CYS A 112 3.826 9.310 -9.520 1.00 0.00 N ATOM 1756 CA CYS A 112 2.759 9.248 -8.535 1.00 0.00 C ATOM 1757 C CYS A 112 1.630 10.175 -8.990 1.00 0.00 C ATOM 1758 O CYS A 112 1.881 11.297 -9.426 1.00 0.00 O ATOM 1759 CB CYS A 112 3.260 9.604 -7.134 1.00 0.00 C ATOM 1760 SG CYS A 112 3.637 11.392 -7.041 1.00 0.00 S ATOM 0 H CYS A 112 4.691 9.736 -9.186 1.00 0.00 H new ATOM 0 HA CYS A 112 2.384 8.227 -8.466 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.505 9.344 -6.392 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.152 9.023 -6.899 1.00 0.00 H new ATOM 0 HG CYS A 112 3.021 12.016 -8.001 1.00 0.00 H new ATOM 1766 N LYS A 113 0.410 9.671 -8.873 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.758 10.440 -9.267 1.00 0.00 C ATOM 1768 C LYS A 113 -1.252 11.257 -8.072 1.00 0.00 C ATOM 1769 O LYS A 113 -1.508 10.706 -7.002 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.825 9.523 -9.869 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.010 10.334 -10.397 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.210 9.429 -10.682 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.681 9.582 -12.129 1.00 0.00 C ATOM 1774 NZ LYS A 113 -4.164 8.474 -12.963 1.00 0.00 N ATOM 0 H LYS A 113 0.205 8.740 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.500 11.149 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.391 8.937 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.171 8.817 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.289 11.095 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.720 10.857 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.940 8.390 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.026 9.676 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.770 9.593 -12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.340 10.536 -12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.493 8.594 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.124 8.481 -12.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.511 7.567 -12.590 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.372 12.558 -8.294 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.831 13.456 -7.248 1.00 0.00 C ATOM 1790 C ARG A 114 -2.924 12.786 -6.414 1.00 0.00 C ATOM 1791 O ARG A 114 -3.789 12.098 -6.955 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.376 14.757 -7.840 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.275 15.814 -7.949 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.704 15.867 -9.367 1.00 0.00 C ATOM 1795 NE ARG A 114 -1.029 17.167 -9.995 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.344 18.298 -9.778 1.00 0.00 C ATOM 1797 NH1 ARG A 114 0.707 18.296 -8.948 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -0.711 19.432 -10.392 1.00 0.00 N ATOM 0 H ARG A 114 -1.159 13.011 -9.183 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.977 13.689 -6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.798 14.563 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.186 15.134 -7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.676 16.791 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.478 15.588 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.377 15.728 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -1.115 15.053 -9.964 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.824 17.204 -10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.986 17.433 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.228 19.157 -8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.512 19.434 -11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.190 20.293 -10.227 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.850 13.009 -5.110 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.823 12.435 -4.196 1.00 0.00 C ATOM 1814 C GLY A 115 -5.223 12.991 -4.465 1.00 0.00 C ATOM 1815 O GLY A 115 -6.161 12.232 -4.702 1.00 0.00 O ATOM 0 H GLY A 115 -2.131 13.579 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.832 11.350 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.533 12.652 -3.168 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.321 14.347 -4.418 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.591 15.013 -4.654 1.00 0.00 C ATOM 1821 C PRO A 116 -6.947 15.004 -6.142 1.00 0.00 C ATOM 1822 O PRO A 116 -7.573 15.938 -6.640 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.408 16.415 -4.096 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.907 16.630 -3.991 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.231 15.277 -4.141 1.00 0.00 C ATOM 0 HA PRO A 116 -7.427 14.510 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.864 17.158 -4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.886 16.513 -3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.564 17.316 -4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.652 17.080 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.502 15.286 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.695 15.000 -3.234 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.533 13.938 -6.810 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.800 13.794 -8.231 1.00 0.00 C ATOM 1835 C ARG A 117 -7.124 12.337 -8.566 1.00 0.00 C ATOM 1836 O ARG A 117 -6.987 11.915 -9.713 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.601 14.248 -9.066 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.396 15.760 -8.955 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.567 16.438 -10.315 1.00 0.00 C ATOM 1840 NE ARG A 117 -5.205 17.870 -10.216 1.00 0.00 N ATOM 1841 CZ ARG A 117 -5.498 18.785 -11.150 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -6.160 18.424 -12.258 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -5.131 20.062 -10.976 1.00 0.00 N ATOM 0 H ARG A 117 -6.014 13.165 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.656 14.424 -8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.703 13.730 -8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.756 13.974 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -6.111 16.176 -8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.400 15.968 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.939 15.946 -11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.598 16.338 -10.653 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.701 18.179 -9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.441 17.452 -12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -6.383 19.121 -12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.628 20.338 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.354 20.758 -11.687 1.00 0.00 H new ATOM 1857 N THR A 118 -7.547 11.608 -7.544 1.00 0.00 N ATOM 1858 CA THR A 118 -7.892 10.207 -7.715 1.00 0.00 C ATOM 1859 C THR A 118 -9.356 9.968 -7.343 1.00 0.00 C ATOM 1860 O THR A 118 -9.955 10.765 -6.621 1.00 0.00 O ATOM 1861 CB THR A 118 -6.911 9.374 -6.888 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.689 10.159 -5.719 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.529 9.278 -7.539 1.00 0.00 C ATOM 0 H THR A 118 -7.659 11.962 -6.594 1.00 0.00 H new ATOM 0 HA THR A 118 -7.801 9.902 -8.758 1.00 0.00 H new ATOM 0 HB THR A 118 -7.316 8.372 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.149 10.944 -5.950 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.872 8.676 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.621 8.812 -8.520 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.109 10.278 -7.650 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.891 8.868 -7.851 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.274 8.515 -7.581 1.00 0.00 C ATOM 1873 C HIS A 119 -11.512 7.050 -7.954 1.00 0.00 C ATOM 1874 O HIS A 119 -10.685 6.434 -8.624 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.230 9.472 -8.297 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.903 10.466 -7.382 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -13.164 11.773 -7.756 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -13.367 10.331 -6.106 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.757 12.388 -6.744 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -13.882 11.493 -5.722 1.00 0.00 N ATOM 0 H HIS A 119 -9.391 8.209 -8.448 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.478 8.621 -6.516 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.677 10.015 -9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.995 8.889 -8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.323 9.432 -5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.084 13.417 -6.730 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.302 11.685 -4.813 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.647 6.535 -7.504 1.00 0.00 N ATOM 1889 CA TYR A 120 -13.004 5.154 -7.782 1.00 0.00 C ATOM 1890 C TYR A 120 -13.379 4.971 -9.254 1.00 0.00 C ATOM 1891 O TYR A 120 -14.156 5.751 -9.802 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.227 4.852 -6.914 1.00 0.00 C ATOM 1893 CG TYR A 120 -13.976 4.997 -5.412 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -12.908 4.349 -4.826 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -14.818 5.775 -4.644 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -12.671 4.485 -3.412 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -14.581 5.911 -3.230 1.00 0.00 C ATOM 1898 CZ TYR A 120 -13.520 5.259 -2.684 1.00 0.00 C ATOM 1899 OH TYR A 120 -13.297 5.388 -1.348 1.00 0.00 O ATOM 0 H TYR A 120 -13.331 7.049 -6.949 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.166 4.490 -7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -15.038 5.520 -7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.563 3.836 -7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.250 3.740 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -15.654 6.282 -5.103 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -11.838 3.984 -2.941 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -15.231 6.517 -2.617 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.981 5.971 -0.957 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.809 3.934 -9.852 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.075 3.639 -11.249 1.00 0.00 C ATOM 1911 C GLY A 121 -11.782 3.655 -12.068 1.00 0.00 C ATOM 1912 O GLY A 121 -11.706 3.035 -13.128 1.00 0.00 O ATOM 0 H GLY A 121 -12.165 3.289 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.552 2.662 -11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.774 4.371 -11.652 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.797 4.370 -11.545 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.511 4.475 -12.214 1.00 0.00 C ATOM 1918 C GLN A 122 -8.707 3.187 -12.023 1.00 0.00 C ATOM 1919 O GLN A 122 -8.840 2.513 -11.003 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.729 5.689 -11.710 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.570 6.963 -11.811 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.696 8.210 -11.659 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.718 8.404 -12.362 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -9.102 9.042 -10.704 1.00 0.00 N ATOM 0 H GLN A 122 -10.863 4.882 -10.666 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.688 4.615 -13.280 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.429 5.528 -10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.815 5.805 -12.293 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.083 6.989 -12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.339 6.957 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.930 8.819 -10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.585 9.903 -10.524 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.890 2.884 -13.021 1.00 0.00 N ATOM 1934 CA LYS A 123 -7.065 1.689 -12.977 1.00 0.00 C ATOM 1935 C LYS A 123 -5.705 2.037 -12.368 1.00 0.00 C ATOM 1936 O LYS A 123 -4.706 1.376 -12.652 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.973 1.049 -14.363 1.00 0.00 C ATOM 1938 CG LYS A 123 -7.048 -0.476 -14.269 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.569 -1.129 -15.567 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.700 -1.203 -16.594 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.544 -2.394 -16.352 1.00 0.00 N ATOM 0 H LYS A 123 -7.782 3.446 -13.865 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.520 0.935 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.783 1.418 -14.992 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.038 1.342 -14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -6.437 -0.823 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.074 -0.781 -14.061 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.736 -0.559 -15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -6.197 -2.132 -15.358 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.309 -0.301 -16.538 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.283 -1.244 -17.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.307 -2.428 -17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.963 -3.253 -16.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.957 -2.339 -15.399 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.709 3.073 -11.543 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.488 3.516 -10.892 1.00 0.00 C ATOM 1957 C ALA A 124 -4.480 3.025 -9.443 1.00 0.00 C ATOM 1958 O ALA A 124 -3.576 2.298 -9.035 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.379 5.039 -10.992 1.00 0.00 C ATOM 0 H ALA A 124 -6.539 3.619 -11.310 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.614 3.093 -11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.463 5.371 -10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.358 5.334 -12.041 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.238 5.498 -10.503 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.498 3.442 -8.705 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.620 3.054 -7.310 1.00 0.00 C ATOM 1967 C ILE A 125 -5.370 1.550 -7.180 1.00 0.00 C ATOM 1968 O ILE A 125 -4.761 1.099 -6.211 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.968 3.504 -6.744 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.093 2.572 -7.198 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.253 4.964 -7.103 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.460 3.123 -6.791 1.00 0.00 C ATOM 0 H ILE A 125 -6.246 4.045 -9.047 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.864 3.557 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.919 3.443 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.054 2.450 -8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.950 1.584 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.217 5.259 -6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.470 5.600 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.275 5.075 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.242 2.441 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.504 3.221 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.610 4.100 -7.250 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.853 0.814 -8.171 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.690 -0.629 -8.180 1.00 0.00 C ATOM 1986 C LEU A 126 -4.199 -0.969 -8.226 1.00 0.00 C ATOM 1987 O LEU A 126 -3.524 -0.685 -9.215 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.499 -1.253 -9.319 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.974 -0.852 -9.392 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.606 -1.326 -10.702 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.741 -1.357 -8.169 1.00 0.00 C ATOM 0 H LEU A 126 -6.357 1.191 -8.973 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.088 -1.063 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.024 -0.988 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.442 -2.338 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.033 0.236 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.654 -1.028 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.079 -0.876 -11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.535 -2.412 -10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.786 -1.058 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.677 -2.444 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.307 -0.929 -7.265 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.728 -1.574 -7.145 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.330 -1.956 -7.050 1.00 0.00 C ATOM 2005 C PHE A 127 -2.186 -3.467 -6.862 1.00 0.00 C ATOM 2006 O PHE A 127 -2.962 -4.083 -6.133 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.754 -1.244 -5.824 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.871 -0.041 -6.161 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -0.051 -0.081 -7.246 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.905 1.069 -5.376 1.00 0.00 C ATOM 2011 CE1 PHE A 127 0.769 1.035 -7.558 1.00 0.00 C ATOM 2012 CE2 PHE A 127 -0.085 2.186 -5.689 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.734 2.145 -6.773 1.00 0.00 C ATOM 0 H PHE A 127 -4.291 -1.809 -6.327 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.806 -1.679 -7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.576 -0.912 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.171 -1.958 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.024 -0.962 -7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.556 1.101 -4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.421 1.003 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.112 3.068 -5.066 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.357 2.994 -7.011 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.186 -4.022 -7.532 1.00 0.00 N ATOM 2024 CA LEU A 128 -0.930 -5.450 -7.448 1.00 0.00 C ATOM 2025 C LEU A 128 0.408 -5.683 -6.744 1.00 0.00 C ATOM 2026 O LEU A 128 1.467 -5.422 -7.313 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.016 -6.092 -8.834 1.00 0.00 C ATOM 2028 CG LEU A 128 -1.952 -7.296 -8.958 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -2.143 -7.693 -10.423 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -1.456 -8.467 -8.107 1.00 0.00 C ATOM 0 H LEU A 128 -0.544 -3.508 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.696 -5.940 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.338 -5.332 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.015 -6.403 -9.131 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.930 -7.009 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.812 -8.551 -10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.575 -6.857 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.178 -7.954 -10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.140 -9.309 -8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.461 -8.763 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.414 -8.164 -7.061 1.00 0.00 H new ATOM 2042 N PRO A 129 0.315 -6.185 -5.483 1.00 0.00 N ATOM 2043 CA PRO A 129 1.505 -6.457 -4.696 1.00 0.00 C ATOM 2044 C PRO A 129 2.209 -7.724 -5.185 1.00 0.00 C ATOM 2045 O PRO A 129 1.727 -8.832 -4.961 1.00 0.00 O ATOM 2046 CB PRO A 129 1.012 -6.567 -3.262 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.485 -6.817 -3.355 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.922 -6.506 -4.777 1.00 0.00 C ATOM 0 HA PRO A 129 2.256 -5.673 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.512 -7.381 -2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.222 -5.654 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.716 -7.852 -3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -1.022 -6.188 -2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.428 -7.358 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.621 -5.670 -4.803 1.00 0.00 H new ATOM 2056 N LEU A 130 3.340 -7.516 -5.845 1.00 0.00 N ATOM 2057 CA LEU A 130 4.115 -8.628 -6.368 1.00 0.00 C ATOM 2058 C LEU A 130 5.262 -8.943 -5.405 1.00 0.00 C ATOM 2059 O LEU A 130 5.805 -8.043 -4.766 1.00 0.00 O ATOM 2060 CB LEU A 130 4.576 -8.335 -7.797 1.00 0.00 C ATOM 2061 CG LEU A 130 3.472 -8.254 -8.854 1.00 0.00 C ATOM 2062 CD1 LEU A 130 3.989 -7.602 -10.138 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.863 -9.633 -9.117 1.00 0.00 C ATOM 0 H LEU A 130 3.737 -6.595 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 130 3.498 -9.524 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.121 -7.391 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.282 -9.110 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 130 2.675 -7.618 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.185 -7.557 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.337 -6.593 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.814 -8.191 -10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.081 -9.548 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.638 -10.311 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.435 -10.024 -8.194 1.00 0.00 H new ATOM 2075 N PRO A 131 5.604 -10.256 -5.329 1.00 0.00 N ATOM 2076 CA PRO A 131 6.676 -10.701 -4.454 1.00 0.00 C ATOM 2077 C PRO A 131 8.044 -10.342 -5.038 1.00 0.00 C ATOM 2078 O PRO A 131 8.225 -10.347 -6.255 1.00 0.00 O ATOM 2079 CB PRO A 131 6.468 -12.199 -4.306 1.00 0.00 C ATOM 2080 CG PRO A 131 5.575 -12.612 -5.465 1.00 0.00 C ATOM 2081 CD PRO A 131 4.983 -11.350 -6.070 1.00 0.00 C ATOM 0 HA PRO A 131 6.654 -10.212 -3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.419 -12.730 -4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.002 -12.436 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.149 -13.161 -6.212 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.784 -13.277 -5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.203 -11.281 -7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.898 -11.333 -5.966 1.00 0.00 H new ATOM 2089 N VAL A 132 8.973 -10.040 -4.143 1.00 0.00 N ATOM 2090 CA VAL A 132 10.319 -9.679 -4.554 1.00 0.00 C ATOM 2091 C VAL A 132 11.317 -10.160 -3.498 1.00 0.00 C ATOM 2092 O VAL A 132 10.928 -10.498 -2.381 1.00 0.00 O ATOM 2093 CB VAL A 132 10.402 -8.174 -4.813 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.811 -7.421 -3.545 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.361 -7.867 -5.965 1.00 0.00 C ATOM 0 H VAL A 132 8.820 -10.038 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 132 10.576 -10.171 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 132 9.409 -7.830 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.863 -6.353 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 132 10.075 -7.601 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.788 -7.772 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.401 -6.790 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.357 -8.234 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.009 -8.358 -6.872 1.00 0.00 H new