USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 17 GLN : amide:sc= -2.76! C(o=-5.4!,f=-31!) USER MOD Set 1.2: A 32 ASN : amide:sc= -2.44 K(o=-5.4,f=-8.9!) USER MOD Set 1.3: A 36 LYS NZ :NH3+ -160:sc= -0.157 (180deg=-1.16!) USER MOD Single : A 5 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 0.17 (180deg=-0.359!) USER MOD Single : A 13 LYS NZ :NH3+ -138:sc= -0.454 (180deg=-1.32!) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 0.713 (180deg=-0.39!) USER MOD Single : A 16 SER OG : rot 116:sc= 1.01 USER MOD Single : A 18 SER OG : rot 104:sc= 1.31 USER MOD Single : A 27 SER OG : rot 180:sc= 0.225 USER MOD Single : A 29 GLN : amide:sc= -0.0415 X(o=-0.042,f=-0.022) USER MOD Single : A 30 THR OG1 : rot 93:sc= 0.747 USER MOD Single : A 37 ASN : amide:sc= -0.045 K(o=-0.045,f=-2.1) USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= -0.145 (180deg=-1.06) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.86! C(o=-2.9!,f=-13!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.28! C(o=-3.3!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= -0.107 (180deg=-0.588) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.016 X(o=0.016,f=0) USER MOD Single : A 55 THR OG1 : rot -18:sc= 0.486 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 4.407 5.967 -2.959 1.00 0.00 N ATOM 71 CA ASN A 5 3.325 5.792 -1.997 1.00 0.00 C ATOM 72 C ASN A 5 2.986 4.322 -1.877 1.00 0.00 C ATOM 73 O ASN A 5 2.900 3.623 -2.884 1.00 0.00 O ATOM 74 CB ASN A 5 2.075 6.559 -2.452 1.00 0.00 C ATOM 75 CG ASN A 5 2.228 8.050 -2.184 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.100 8.486 -1.041 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.478 8.863 -3.164 1.00 0.00 N ATOM 0 HA ASN A 5 3.651 6.179 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.907 6.392 -3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.198 6.179 -1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.568 9.863 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.584 8.502 -4.112 1.00 0.00 H new ATOM 84 N LEU A 6 2.696 3.873 -0.662 1.00 0.00 N ATOM 85 CA LEU A 6 2.335 2.473 -0.437 1.00 0.00 C ATOM 86 C LEU A 6 1.147 2.134 -1.310 1.00 0.00 C ATOM 87 O LEU A 6 1.121 1.098 -1.976 1.00 0.00 O ATOM 88 CB LEU A 6 2.014 2.221 1.050 1.00 0.00 C ATOM 89 CG LEU A 6 1.747 0.717 1.322 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.298 0.361 0.983 1.00 0.00 C ATOM 91 CD2 LEU A 6 2.699 -0.172 0.500 1.00 0.00 C ATOM 0 H LEU A 6 2.703 4.450 0.179 1.00 0.00 H new ATOM 0 HA LEU A 6 3.176 1.832 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.846 2.562 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.141 2.806 1.340 1.00 0.00 H new ATOM 0 HG LEU A 6 1.926 0.535 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.128 -0.698 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.376 0.957 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.109 0.569 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.490 -1.221 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.551 0.022 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.731 0.053 0.770 1.00 0.00 H new ATOM 103 N LYS A 7 0.250 3.091 -1.433 1.00 0.00 N ATOM 104 CA LYS A 7 -0.855 2.974 -2.351 1.00 0.00 C ATOM 105 C LYS A 7 -0.324 2.678 -3.749 1.00 0.00 C ATOM 106 O LYS A 7 -0.780 1.748 -4.410 1.00 0.00 O ATOM 107 CB LYS A 7 -1.611 4.313 -2.350 1.00 0.00 C ATOM 108 CG LYS A 7 -2.502 4.454 -3.589 1.00 0.00 C ATOM 109 CD LYS A 7 -3.327 5.741 -3.478 1.00 0.00 C ATOM 110 CE LYS A 7 -2.381 6.946 -3.370 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.095 8.185 -3.742 1.00 0.00 N ATOM 0 H LYS A 7 0.269 3.962 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.521 2.164 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.222 4.387 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.897 5.136 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.890 4.478 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.163 3.591 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.972 5.848 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.977 5.695 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.999 7.028 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.520 6.803 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.447 8.995 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.439 8.107 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.902 8.326 -3.102 1.00 0.00 H new ATOM 125 N LEU A 8 0.669 3.436 -4.165 1.00 0.00 N ATOM 126 CA LEU A 8 1.311 3.222 -5.452 1.00 0.00 C ATOM 127 C LEU A 8 2.110 1.915 -5.494 1.00 0.00 C ATOM 128 O LEU A 8 2.093 1.208 -6.499 1.00 0.00 O ATOM 129 CB LEU A 8 2.166 4.428 -5.846 1.00 0.00 C ATOM 130 CG LEU A 8 1.234 5.624 -6.135 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.060 6.893 -6.332 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.424 5.353 -7.410 1.00 0.00 C ATOM 0 H LEU A 8 1.054 4.213 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 8 0.520 3.120 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.861 4.676 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.765 4.195 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 8 0.559 5.756 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.395 7.732 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.635 7.097 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.741 6.757 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.233 6.199 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.104 5.214 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.175 4.453 -7.276 1.00 0.00 H new ATOM 144 N ILE A 9 2.801 1.597 -4.398 1.00 0.00 N ATOM 145 CA ILE A 9 3.647 0.389 -4.327 1.00 0.00 C ATOM 146 C ILE A 9 2.842 -0.865 -4.666 1.00 0.00 C ATOM 147 O ILE A 9 3.398 -1.877 -5.106 1.00 0.00 O ATOM 148 CB ILE A 9 4.290 0.238 -2.927 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.159 1.460 -2.597 1.00 0.00 C ATOM 150 CG2 ILE A 9 5.169 -1.018 -2.884 1.00 0.00 C ATOM 151 CD1 ILE A 9 6.293 1.590 -3.614 1.00 0.00 C ATOM 0 H ILE A 9 2.796 2.155 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 9 4.442 0.505 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 9 3.488 0.155 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.548 2.363 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.571 1.362 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.617 -1.115 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.559 -1.896 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.957 -0.936 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.903 2.460 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.912 0.693 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.874 1.709 -4.613 1.00 0.00 H new ATOM 163 N ARG A 10 1.543 -0.792 -4.476 1.00 0.00 N ATOM 164 CA ARG A 10 0.672 -1.924 -4.742 1.00 0.00 C ATOM 165 C ARG A 10 0.848 -2.459 -6.154 1.00 0.00 C ATOM 166 O ARG A 10 0.752 -3.665 -6.365 1.00 0.00 O ATOM 167 CB ARG A 10 -0.781 -1.531 -4.538 1.00 0.00 C ATOM 168 CG ARG A 10 -1.134 -1.463 -3.049 1.00 0.00 C ATOM 169 CD ARG A 10 -2.542 -0.888 -2.942 1.00 0.00 C ATOM 170 NE ARG A 10 -3.444 -1.708 -3.748 1.00 0.00 N ATOM 171 CZ ARG A 10 -4.440 -1.182 -4.455 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.781 0.065 -4.290 1.00 0.00 N ATOM 173 NH2 ARG A 10 -5.081 -1.927 -5.287 1.00 0.00 N ATOM 0 H ARG A 10 1.062 0.041 -4.137 1.00 0.00 H new ATOM 0 HA ARG A 10 0.949 -2.711 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.967 -0.563 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.429 -2.253 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.089 -2.454 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.421 -0.836 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.868 -0.878 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.556 0.145 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.305 -2.718 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.283 0.645 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.546 0.461 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.823 -2.908 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.847 -1.537 -5.836 1.00 0.00 H new ATOM 187 N GLU A 11 1.069 -1.579 -7.123 1.00 0.00 N ATOM 188 CA GLU A 11 1.191 -2.028 -8.511 1.00 0.00 C ATOM 189 C GLU A 11 2.162 -3.194 -8.613 1.00 0.00 C ATOM 190 O GLU A 11 1.926 -4.157 -9.357 1.00 0.00 O ATOM 191 CB GLU A 11 1.657 -0.893 -9.431 1.00 0.00 C ATOM 192 CG GLU A 11 2.919 -0.222 -8.868 1.00 0.00 C ATOM 193 CD GLU A 11 3.994 -0.198 -9.928 1.00 0.00 C ATOM 194 OE1 GLU A 11 4.699 -1.170 -10.039 1.00 0.00 O ATOM 195 OE2 GLU A 11 4.080 0.781 -10.632 1.00 0.00 O ATOM 0 H GLU A 11 1.166 -0.573 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 11 0.202 -2.351 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.861 -1.286 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.863 -0.154 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.690 0.793 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.271 -0.764 -7.990 1.00 0.00 H new ATOM 202 N LYS A 12 3.220 -3.136 -7.826 1.00 0.00 N ATOM 203 CA LYS A 12 4.207 -4.192 -7.815 1.00 0.00 C ATOM 204 C LYS A 12 3.588 -5.493 -7.368 1.00 0.00 C ATOM 205 O LYS A 12 3.885 -6.550 -7.911 1.00 0.00 O ATOM 206 CB LYS A 12 5.357 -3.831 -6.886 1.00 0.00 C ATOM 207 CG LYS A 12 6.129 -2.675 -7.494 1.00 0.00 C ATOM 208 CD LYS A 12 7.305 -2.322 -6.600 1.00 0.00 C ATOM 209 CE LYS A 12 8.082 -1.197 -7.260 1.00 0.00 C ATOM 210 NZ LYS A 12 9.273 -0.873 -6.452 1.00 0.00 N ATOM 0 H LYS A 12 3.415 -2.366 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 12 4.588 -4.311 -8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.976 -3.555 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.013 -4.690 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.483 -2.944 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.476 -1.810 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.955 -2.015 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.946 -3.192 -6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.382 -1.491 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.449 -0.316 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.012 -0.476 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.019 -0.177 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.629 -1.737 -5.996 1.00 0.00 H new ATOM 224 N LYS A 13 2.732 -5.415 -6.364 1.00 0.00 N ATOM 225 CA LYS A 13 2.081 -6.598 -5.832 1.00 0.00 C ATOM 226 C LYS A 13 0.715 -6.828 -6.484 1.00 0.00 C ATOM 227 O LYS A 13 0.087 -7.863 -6.262 1.00 0.00 O ATOM 228 CB LYS A 13 1.974 -6.520 -4.307 1.00 0.00 C ATOM 229 CG LYS A 13 2.119 -7.931 -3.715 1.00 0.00 C ATOM 230 CD LYS A 13 3.568 -8.167 -3.242 1.00 0.00 C ATOM 231 CE LYS A 13 4.477 -8.559 -4.427 1.00 0.00 C ATOM 232 NZ LYS A 13 3.894 -9.717 -5.156 1.00 0.00 N ATOM 0 H LYS A 13 2.472 -4.544 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 13 2.700 -7.461 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.749 -5.865 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.015 -6.089 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.432 -8.054 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.847 -8.676 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.952 -7.264 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.585 -8.955 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.590 -7.712 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.473 -8.812 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.649 -10.389 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.193 -10.190 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.432 -9.383 -6.026 1.00 0.00 H new ATOM 246 N LYS A 14 0.273 -5.852 -7.279 1.00 0.00 N ATOM 247 CA LYS A 14 -1.005 -5.908 -8.005 1.00 0.00 C ATOM 248 C LYS A 14 -2.109 -6.548 -7.179 1.00 0.00 C ATOM 249 O LYS A 14 -2.664 -7.591 -7.553 1.00 0.00 O ATOM 250 CB LYS A 14 -0.864 -6.612 -9.374 1.00 0.00 C ATOM 251 CG LYS A 14 0.069 -7.829 -9.267 1.00 0.00 C ATOM 252 CD LYS A 14 1.532 -7.386 -9.427 1.00 0.00 C ATOM 253 CE LYS A 14 1.853 -7.141 -10.910 1.00 0.00 C ATOM 254 NZ LYS A 14 2.431 -5.780 -11.080 1.00 0.00 N ATOM 0 H LYS A 14 0.794 -4.990 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.293 -4.874 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.845 -6.930 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.472 -5.911 -10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.068 -8.319 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.184 -8.560 -10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.709 -6.476 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.197 -8.150 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.556 -7.893 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.948 -7.240 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.289 -5.462 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.960 -5.119 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.449 -5.806 -10.869 1.00 0.00 H new ATOM 268 N ILE A 15 -2.440 -5.909 -6.074 1.00 0.00 N ATOM 269 CA ILE A 15 -3.507 -6.366 -5.202 1.00 0.00 C ATOM 270 C ILE A 15 -4.457 -5.219 -4.847 1.00 0.00 C ATOM 271 O ILE A 15 -4.048 -4.050 -4.820 1.00 0.00 O ATOM 272 CB ILE A 15 -2.910 -7.036 -3.954 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.934 -6.076 -3.245 1.00 0.00 C ATOM 274 CG2 ILE A 15 -2.157 -8.316 -4.362 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.480 -6.714 -1.930 1.00 0.00 C ATOM 0 H ILE A 15 -1.977 -5.058 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.104 -7.111 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.722 -7.288 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.074 -5.874 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.419 -5.119 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.735 -8.788 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.848 -9.006 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.354 -8.061 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.789 -6.043 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.347 -6.894 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.980 -7.660 -2.138 1.00 0.00 H new ATOM 287 N SER A 16 -5.730 -5.543 -4.635 1.00 0.00 N ATOM 288 CA SER A 16 -6.745 -4.525 -4.368 1.00 0.00 C ATOM 289 C SER A 16 -6.843 -4.213 -2.885 1.00 0.00 C ATOM 290 O SER A 16 -6.404 -4.998 -2.045 1.00 0.00 O ATOM 291 CB SER A 16 -8.103 -4.969 -4.901 1.00 0.00 C ATOM 292 OG SER A 16 -7.909 -5.799 -6.047 1.00 0.00 O ATOM 0 H SER A 16 -6.084 -6.500 -4.643 1.00 0.00 H new ATOM 0 HA SER A 16 -6.441 -3.615 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.649 -5.514 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.706 -4.100 -5.164 1.00 0.00 H new ATOM 0 HG SER A 16 -8.233 -6.704 -5.855 1.00 0.00 H new ATOM 298 N GLN A 17 -7.456 -3.085 -2.566 1.00 0.00 N ATOM 299 CA GLN A 17 -7.625 -2.682 -1.180 1.00 0.00 C ATOM 300 C GLN A 17 -8.451 -3.711 -0.431 1.00 0.00 C ATOM 301 O GLN A 17 -8.192 -4.000 0.742 1.00 0.00 O ATOM 302 CB GLN A 17 -8.309 -1.322 -1.096 1.00 0.00 C ATOM 303 CG GLN A 17 -7.388 -0.235 -1.662 1.00 0.00 C ATOM 304 CD GLN A 17 -8.083 1.115 -1.577 1.00 0.00 C ATOM 305 OE1 GLN A 17 -9.168 1.217 -0.993 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.534 2.155 -2.122 1.00 0.00 N ATOM 0 H GLN A 17 -7.844 -2.433 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.638 -2.611 -0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.246 -1.342 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.559 -1.095 -0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.452 -0.210 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.135 -0.461 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.639 2.066 -2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.997 3.062 -2.070 1.00 0.00 H new ATOM 315 N SER A 18 -9.436 -4.270 -1.109 1.00 0.00 N ATOM 316 CA SER A 18 -10.285 -5.266 -0.498 1.00 0.00 C ATOM 317 C SER A 18 -9.447 -6.437 -0.026 1.00 0.00 C ATOM 318 O SER A 18 -9.565 -6.868 1.120 1.00 0.00 O ATOM 319 CB SER A 18 -11.349 -5.737 -1.492 1.00 0.00 C ATOM 320 OG SER A 18 -10.812 -5.707 -2.824 1.00 0.00 O ATOM 0 H SER A 18 -9.664 -4.050 -2.078 1.00 0.00 H new ATOM 0 HA SER A 18 -10.788 -4.824 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.672 -6.748 -1.242 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.229 -5.096 -1.429 1.00 0.00 H new ATOM 0 HG SER A 18 -10.597 -6.619 -3.111 1.00 0.00 H new ATOM 326 N GLU A 19 -8.516 -6.865 -0.869 1.00 0.00 N ATOM 327 CA GLU A 19 -7.596 -7.915 -0.491 1.00 0.00 C ATOM 328 C GLU A 19 -6.695 -7.441 0.632 1.00 0.00 C ATOM 329 O GLU A 19 -6.454 -8.168 1.589 1.00 0.00 O ATOM 330 CB GLU A 19 -6.747 -8.359 -1.687 1.00 0.00 C ATOM 331 CG GLU A 19 -7.629 -9.072 -2.720 1.00 0.00 C ATOM 332 CD GLU A 19 -8.246 -8.072 -3.662 1.00 0.00 C ATOM 333 OE1 GLU A 19 -9.324 -7.596 -3.370 1.00 0.00 O ATOM 334 OE2 GLU A 19 -7.639 -7.792 -4.673 1.00 0.00 O ATOM 0 H GLU A 19 -8.383 -6.500 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.180 -8.769 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.265 -7.494 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.953 -9.026 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.033 -9.791 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.412 -9.635 -2.212 1.00 0.00 H new ATOM 341 N LEU A 20 -6.255 -6.192 0.549 1.00 0.00 N ATOM 342 CA LEU A 20 -5.384 -5.646 1.580 1.00 0.00 C ATOM 343 C LEU A 20 -6.115 -5.668 2.905 1.00 0.00 C ATOM 344 O LEU A 20 -5.588 -6.138 3.915 1.00 0.00 O ATOM 345 CB LEU A 20 -5.007 -4.197 1.240 1.00 0.00 C ATOM 346 CG LEU A 20 -4.097 -4.155 0.004 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.921 -2.707 -0.459 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.728 -4.733 0.355 1.00 0.00 C ATOM 0 H LEU A 20 -6.482 -5.548 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.477 -6.248 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.909 -3.614 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.499 -3.738 2.089 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.553 -4.743 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.275 -2.682 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.894 -2.285 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.469 -2.121 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.084 -4.702 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.279 -4.144 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.843 -5.766 0.685 1.00 0.00 H new ATOM 360 N ALA A 21 -7.370 -5.265 2.874 1.00 0.00 N ATOM 361 CA ALA A 21 -8.214 -5.348 4.047 1.00 0.00 C ATOM 362 C ALA A 21 -8.529 -6.804 4.378 1.00 0.00 C ATOM 363 O ALA A 21 -8.589 -7.188 5.549 1.00 0.00 O ATOM 364 CB ALA A 21 -9.497 -4.552 3.844 1.00 0.00 C ATOM 0 H ALA A 21 -7.827 -4.877 2.049 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.675 -4.914 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.117 -4.628 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.251 -3.506 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.042 -4.952 2.989 1.00 0.00 H new ATOM 370 N ALA A 22 -8.737 -7.607 3.335 1.00 0.00 N ATOM 371 CA ALA A 22 -9.053 -9.029 3.499 1.00 0.00 C ATOM 372 C ALA A 22 -7.925 -9.741 4.214 1.00 0.00 C ATOM 373 O ALA A 22 -8.158 -10.647 5.005 1.00 0.00 O ATOM 374 CB ALA A 22 -9.306 -9.697 2.143 1.00 0.00 C ATOM 0 H ALA A 22 -8.693 -7.298 2.364 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.961 -9.102 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.538 -10.751 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.145 -9.208 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.415 -9.607 1.521 1.00 0.00 H new ATOM 380 N LEU A 23 -6.705 -9.324 3.941 1.00 0.00 N ATOM 381 CA LEU A 23 -5.539 -9.914 4.585 1.00 0.00 C ATOM 382 C LEU A 23 -5.602 -9.693 6.086 1.00 0.00 C ATOM 383 O LEU A 23 -5.174 -10.546 6.870 1.00 0.00 O ATOM 384 CB LEU A 23 -4.241 -9.319 4.024 1.00 0.00 C ATOM 385 CG LEU A 23 -4.035 -9.786 2.576 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.869 -9.023 1.948 1.00 0.00 C ATOM 387 CD2 LEU A 23 -3.729 -11.288 2.560 1.00 0.00 C ATOM 0 H LEU A 23 -6.491 -8.579 3.278 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.544 -10.984 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.284 -8.230 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.395 -9.626 4.638 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.943 -9.593 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.726 -9.358 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.087 -7.955 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.961 -9.211 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.583 -11.619 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.824 -11.481 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.563 -11.834 3.002 1.00 0.00 H new ATOM 399 N LEU A 24 -6.078 -8.525 6.481 1.00 0.00 N ATOM 400 CA LEU A 24 -6.140 -8.164 7.890 1.00 0.00 C ATOM 401 C LEU A 24 -7.258 -8.938 8.585 1.00 0.00 C ATOM 402 O LEU A 24 -7.184 -9.212 9.787 1.00 0.00 O ATOM 403 CB LEU A 24 -6.394 -6.657 8.041 1.00 0.00 C ATOM 404 CG LEU A 24 -5.275 -5.859 7.348 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.536 -4.355 7.479 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.912 -6.215 7.948 1.00 0.00 C ATOM 0 H LEU A 24 -6.428 -7.808 5.846 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.186 -8.417 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.359 -6.398 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.439 -6.392 9.097 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.267 -6.122 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.737 -3.803 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.490 -4.109 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.567 -4.082 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.133 -5.642 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.909 -5.977 9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.722 -7.280 7.814 1.00 0.00 H new ATOM 418 N GLU A 25 -8.296 -9.270 7.820 1.00 0.00 N ATOM 419 CA GLU A 25 -9.459 -10.003 8.332 1.00 0.00 C ATOM 420 C GLU A 25 -10.070 -9.313 9.550 1.00 0.00 C ATOM 421 O GLU A 25 -10.540 -9.974 10.487 1.00 0.00 O ATOM 422 CB GLU A 25 -9.101 -11.451 8.676 1.00 0.00 C ATOM 423 CG GLU A 25 -8.636 -12.190 7.418 1.00 0.00 C ATOM 424 CD GLU A 25 -8.523 -13.660 7.719 1.00 0.00 C ATOM 425 OE1 GLU A 25 -9.542 -14.266 7.953 1.00 0.00 O ATOM 426 OE2 GLU A 25 -7.424 -14.164 7.736 1.00 0.00 O ATOM 0 H GLU A 25 -8.358 -9.040 6.828 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.202 -10.009 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.314 -11.470 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.966 -11.956 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.343 -12.027 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.673 -11.800 7.088 1.00 0.00 H new ATOM 433 N VAL A 26 -10.106 -7.996 9.513 1.00 0.00 N ATOM 434 CA VAL A 26 -10.699 -7.211 10.584 1.00 0.00 C ATOM 435 C VAL A 26 -11.601 -6.114 10.011 1.00 0.00 C ATOM 436 O VAL A 26 -11.827 -6.055 8.790 1.00 0.00 O ATOM 437 CB VAL A 26 -9.607 -6.619 11.499 1.00 0.00 C ATOM 438 CG1 VAL A 26 -9.137 -7.687 12.492 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.410 -6.173 10.658 1.00 0.00 C ATOM 0 H VAL A 26 -9.728 -7.440 8.746 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.318 -7.870 11.193 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.020 -5.764 12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.365 -7.269 13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.980 -8.015 13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.730 -8.538 11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.642 -5.756 11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.003 -7.030 10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.730 -5.415 9.943 1.00 0.00 H new ATOM 449 N SER A 27 -12.120 -5.270 10.884 1.00 0.00 N ATOM 450 CA SER A 27 -13.020 -4.184 10.501 1.00 0.00 C ATOM 451 C SER A 27 -12.411 -3.320 9.391 1.00 0.00 C ATOM 452 O SER A 27 -13.107 -2.493 8.780 1.00 0.00 O ATOM 453 CB SER A 27 -13.308 -3.313 11.722 1.00 0.00 C ATOM 454 OG SER A 27 -12.732 -3.931 12.876 1.00 0.00 O ATOM 0 H SER A 27 -11.931 -5.314 11.885 1.00 0.00 H new ATOM 0 HA SER A 27 -13.944 -4.622 10.123 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.892 -2.316 11.581 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.383 -3.194 11.855 1.00 0.00 H new ATOM 0 HG SER A 27 -12.910 -3.379 13.666 1.00 0.00 H new ATOM 460 N ARG A 28 -11.110 -3.473 9.168 1.00 0.00 N ATOM 461 CA ARG A 28 -10.397 -2.660 8.194 1.00 0.00 C ATOM 462 C ARG A 28 -11.093 -2.668 6.846 1.00 0.00 C ATOM 463 O ARG A 28 -11.132 -1.648 6.163 1.00 0.00 O ATOM 464 CB ARG A 28 -8.927 -3.100 8.062 1.00 0.00 C ATOM 465 CG ARG A 28 -8.048 -2.172 8.924 1.00 0.00 C ATOM 466 CD ARG A 28 -7.674 -2.868 10.237 1.00 0.00 C ATOM 467 NE ARG A 28 -7.587 -1.893 11.321 1.00 0.00 N ATOM 468 CZ ARG A 28 -6.827 -2.089 12.396 1.00 0.00 C ATOM 469 NH1 ARG A 28 -6.115 -3.178 12.506 1.00 0.00 N ATOM 470 NH2 ARG A 28 -6.797 -1.191 13.332 1.00 0.00 N ATOM 0 H ARG A 28 -10.527 -4.156 9.652 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.404 -1.634 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.813 -4.135 8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.612 -3.055 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.145 -1.903 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.582 -1.245 9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.419 -3.626 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.720 -3.383 10.125 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.128 -1.031 11.252 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.140 -3.881 11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.533 -3.326 13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.354 -0.341 13.241 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.217 -1.335 14.158 1.00 0.00 H new ATOM 484 N GLN A 29 -11.722 -3.778 6.503 1.00 0.00 N ATOM 485 CA GLN A 29 -12.476 -3.835 5.256 1.00 0.00 C ATOM 486 C GLN A 29 -13.571 -2.771 5.265 1.00 0.00 C ATOM 487 O GLN A 29 -13.776 -2.069 4.277 1.00 0.00 O ATOM 488 CB GLN A 29 -13.110 -5.223 5.072 1.00 0.00 C ATOM 489 CG GLN A 29 -12.024 -6.279 4.827 1.00 0.00 C ATOM 490 CD GLN A 29 -12.661 -7.655 4.705 1.00 0.00 C ATOM 491 OE1 GLN A 29 -13.355 -8.097 5.621 1.00 0.00 O ATOM 492 NE2 GLN A 29 -12.471 -8.356 3.633 1.00 0.00 N ATOM 0 H GLN A 29 -11.729 -4.636 7.054 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.792 -3.648 4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.689 -5.486 5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.804 -5.204 4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.472 -6.042 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.306 -6.272 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.895 -7.986 2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.897 -9.279 3.545 1.00 0.00 H new ATOM 501 N THR A 30 -14.242 -2.637 6.391 1.00 0.00 N ATOM 502 CA THR A 30 -15.306 -1.657 6.543 1.00 0.00 C ATOM 503 C THR A 30 -14.767 -0.222 6.450 1.00 0.00 C ATOM 504 O THR A 30 -15.335 0.621 5.755 1.00 0.00 O ATOM 505 CB THR A 30 -16.016 -1.875 7.887 1.00 0.00 C ATOM 506 OG1 THR A 30 -15.434 -3.008 8.539 1.00 0.00 O ATOM 507 CG2 THR A 30 -17.510 -2.139 7.653 1.00 0.00 C ATOM 0 H THR A 30 -14.069 -3.199 7.224 1.00 0.00 H new ATOM 0 HA THR A 30 -16.017 -1.793 5.728 1.00 0.00 H new ATOM 0 HB THR A 30 -15.903 -0.985 8.506 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.721 -2.709 9.140 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.007 -2.293 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 30 -17.956 -1.283 7.146 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.630 -3.029 7.035 1.00 0.00 H new ATOM 515 N ILE A 31 -13.690 0.057 7.176 1.00 0.00 N ATOM 516 CA ILE A 31 -13.124 1.407 7.206 1.00 0.00 C ATOM 517 C ILE A 31 -12.262 1.686 5.984 1.00 0.00 C ATOM 518 O ILE A 31 -12.010 2.844 5.642 1.00 0.00 O ATOM 519 CB ILE A 31 -12.329 1.640 8.496 1.00 0.00 C ATOM 520 CG1 ILE A 31 -11.205 0.619 8.609 1.00 0.00 C ATOM 521 CG2 ILE A 31 -13.253 1.493 9.705 1.00 0.00 C ATOM 522 CD1 ILE A 31 -10.305 0.979 9.791 1.00 0.00 C ATOM 0 H ILE A 31 -13.192 -0.625 7.748 1.00 0.00 H new ATOM 0 HA ILE A 31 -13.959 2.108 7.185 1.00 0.00 H new ATOM 0 HB ILE A 31 -11.908 2.645 8.470 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.619 -0.380 8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.623 0.600 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.684 1.659 10.620 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.057 2.226 9.639 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.677 0.489 9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.501 0.248 9.872 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.880 1.971 9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.892 0.975 10.710 1.00 0.00 H new ATOM 534 N ASN A 32 -11.828 0.628 5.315 1.00 0.00 N ATOM 535 CA ASN A 32 -11.000 0.776 4.126 1.00 0.00 C ATOM 536 C ASN A 32 -11.609 1.788 3.170 1.00 0.00 C ATOM 537 O ASN A 32 -10.924 2.334 2.307 1.00 0.00 O ATOM 538 CB ASN A 32 -10.802 -0.563 3.412 1.00 0.00 C ATOM 539 CG ASN A 32 -10.043 -0.339 2.111 1.00 0.00 C ATOM 540 OD1 ASN A 32 -10.614 -0.467 1.030 1.00 0.00 O ATOM 541 ND2 ASN A 32 -8.790 0.003 2.148 1.00 0.00 N ATOM 0 H ASN A 32 -12.034 -0.337 5.573 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.024 1.137 4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.251 -1.251 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.768 -1.024 3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.280 0.165 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.317 0.109 3.045 1.00 0.00 H new ATOM 548 N GLY A 33 -12.898 2.020 3.303 1.00 0.00 N ATOM 549 CA GLY A 33 -13.558 2.998 2.467 1.00 0.00 C ATOM 550 C GLY A 33 -13.042 4.400 2.776 1.00 0.00 C ATOM 551 O GLY A 33 -12.594 5.118 1.876 1.00 0.00 O ATOM 0 H GLY A 33 -13.504 1.550 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.385 2.764 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.635 2.956 2.629 1.00 0.00 H new ATOM 555 N ILE A 34 -13.075 4.775 4.050 1.00 0.00 N ATOM 556 CA ILE A 34 -12.597 6.089 4.471 1.00 0.00 C ATOM 557 C ILE A 34 -11.077 6.219 4.409 1.00 0.00 C ATOM 558 O ILE A 34 -10.552 7.300 4.118 1.00 0.00 O ATOM 559 CB ILE A 34 -13.133 6.478 5.867 1.00 0.00 C ATOM 560 CG1 ILE A 34 -12.739 7.931 6.175 1.00 0.00 C ATOM 561 CG2 ILE A 34 -12.565 5.550 6.946 1.00 0.00 C ATOM 562 CD1 ILE A 34 -13.462 8.422 7.432 1.00 0.00 C ATOM 0 H ILE A 34 -13.427 4.190 4.808 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.001 6.797 3.748 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.219 6.380 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.661 8.000 6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.991 8.571 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.956 5.843 7.920 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.857 4.522 6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.478 5.624 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.174 9.453 7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.539 8.371 7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.188 7.792 8.279 1.00 0.00 H new ATOM 574 N GLU A 35 -10.377 5.167 4.807 1.00 0.00 N ATOM 575 CA GLU A 35 -8.932 5.253 4.969 1.00 0.00 C ATOM 576 C GLU A 35 -8.245 5.735 3.696 1.00 0.00 C ATOM 577 O GLU A 35 -7.505 6.713 3.729 1.00 0.00 O ATOM 578 CB GLU A 35 -8.361 3.896 5.397 1.00 0.00 C ATOM 579 CG GLU A 35 -8.867 3.541 6.807 1.00 0.00 C ATOM 580 CD GLU A 35 -8.340 4.538 7.826 1.00 0.00 C ATOM 581 OE1 GLU A 35 -7.136 4.715 7.887 1.00 0.00 O ATOM 582 OE2 GLU A 35 -9.146 5.113 8.533 1.00 0.00 O ATOM 0 H GLU A 35 -10.779 4.254 5.022 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.734 5.988 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.661 3.125 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.272 3.930 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.957 3.540 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.544 2.534 7.073 1.00 0.00 H new ATOM 589 N LYS A 36 -8.579 5.123 2.565 1.00 0.00 N ATOM 590 CA LYS A 36 -7.991 5.529 1.283 1.00 0.00 C ATOM 591 C LYS A 36 -8.541 6.858 0.824 1.00 0.00 C ATOM 592 O LYS A 36 -7.892 7.583 0.065 1.00 0.00 O ATOM 593 CB LYS A 36 -8.250 4.481 0.198 1.00 0.00 C ATOM 594 CG LYS A 36 -9.688 3.975 0.308 1.00 0.00 C ATOM 595 CD LYS A 36 -10.317 3.827 -1.084 1.00 0.00 C ATOM 596 CE LYS A 36 -11.602 3.009 -0.962 1.00 0.00 C ATOM 597 NZ LYS A 36 -11.328 1.802 -0.138 1.00 0.00 N ATOM 0 H LYS A 36 -9.245 4.353 2.504 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.917 5.622 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.080 4.914 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.552 3.651 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.703 3.015 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.278 4.668 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.534 4.808 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.620 3.335 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.388 3.608 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.959 2.718 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.059 1.085 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.395 1.416 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.339 2.060 0.870 1.00 0.00 H new ATOM 611 N ASN A 37 -9.751 7.162 1.249 1.00 0.00 N ATOM 612 CA ASN A 37 -10.387 8.408 0.867 1.00 0.00 C ATOM 613 C ASN A 37 -9.581 9.572 1.391 1.00 0.00 C ATOM 614 O ASN A 37 -9.382 10.572 0.702 1.00 0.00 O ATOM 615 CB ASN A 37 -11.815 8.468 1.416 1.00 0.00 C ATOM 616 CG ASN A 37 -12.427 9.831 1.142 1.00 0.00 C ATOM 617 OD1 ASN A 37 -12.747 10.563 2.078 1.00 0.00 O ATOM 618 ND2 ASN A 37 -12.613 10.219 -0.077 1.00 0.00 N ATOM 0 H ASN A 37 -10.313 6.566 1.857 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.432 8.463 -0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -12.422 7.689 0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.808 8.274 2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.025 11.133 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.347 9.611 -0.852 1.00 0.00 H new ATOM 625 N LYS A 38 -9.108 9.432 2.610 1.00 0.00 N ATOM 626 CA LYS A 38 -8.305 10.460 3.233 1.00 0.00 C ATOM 627 C LYS A 38 -6.815 10.160 3.146 1.00 0.00 C ATOM 628 O LYS A 38 -6.014 11.058 2.887 1.00 0.00 O ATOM 629 CB LYS A 38 -8.721 10.640 4.694 1.00 0.00 C ATOM 630 CG LYS A 38 -10.010 11.470 4.766 1.00 0.00 C ATOM 631 CD LYS A 38 -11.210 10.566 5.064 1.00 0.00 C ATOM 632 CE LYS A 38 -12.472 11.429 5.163 1.00 0.00 C ATOM 633 NZ LYS A 38 -12.269 12.471 6.197 1.00 0.00 N ATOM 0 H LYS A 38 -9.267 8.610 3.193 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.482 11.386 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.877 9.667 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.926 11.136 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.918 12.230 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.166 11.994 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.324 9.821 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.051 10.024 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.687 11.892 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.332 10.809 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.167 12.650 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.557 12.146 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.941 13.349 5.746 1.00 0.00 H new ATOM 647 N TYR A 39 -6.432 8.955 3.526 1.00 0.00 N ATOM 648 CA TYR A 39 -5.019 8.626 3.682 1.00 0.00 C ATOM 649 C TYR A 39 -4.575 7.561 2.696 1.00 0.00 C ATOM 650 O TYR A 39 -5.253 6.553 2.530 1.00 0.00 O ATOM 651 CB TYR A 39 -4.778 8.078 5.096 1.00 0.00 C ATOM 652 CG TYR A 39 -5.594 8.852 6.104 1.00 0.00 C ATOM 653 CD1 TYR A 39 -5.083 10.007 6.702 1.00 0.00 C ATOM 654 CD2 TYR A 39 -6.873 8.398 6.442 1.00 0.00 C ATOM 655 CE1 TYR A 39 -5.856 10.704 7.637 1.00 0.00 C ATOM 656 CE2 TYR A 39 -7.640 9.091 7.371 1.00 0.00 C ATOM 657 CZ TYR A 39 -7.134 10.243 7.971 1.00 0.00 C ATOM 658 OH TYR A 39 -7.896 10.923 8.894 1.00 0.00 O ATOM 0 H TYR A 39 -7.072 8.188 3.732 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.451 9.539 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.046 7.022 5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.719 8.147 5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.096 10.360 6.444 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.266 7.505 5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.466 11.598 8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.628 8.737 7.628 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.756 10.467 9.007 1.00 0.00 H new ATOM 668 N ASN A 40 -3.320 7.638 2.291 1.00 0.00 N ATOM 669 CA ASN A 40 -2.693 6.492 1.653 1.00 0.00 C ATOM 670 C ASN A 40 -2.624 5.408 2.727 1.00 0.00 C ATOM 671 O ASN A 40 -2.619 5.739 3.920 1.00 0.00 O ATOM 672 CB ASN A 40 -1.283 6.863 1.141 1.00 0.00 C ATOM 673 CG ASN A 40 -0.338 5.664 1.185 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.048 5.053 0.148 1.00 0.00 O ATOM 675 ND2 ASN A 40 0.166 5.292 2.314 1.00 0.00 N ATOM 0 H ASN A 40 -2.725 8.461 2.388 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.257 6.151 0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.352 7.236 0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.875 7.671 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.802 4.496 2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.072 5.795 3.169 1.00 0.00 H new ATOM 682 N PRO A 41 -2.665 4.149 2.381 1.00 0.00 N ATOM 683 CA PRO A 41 -2.773 3.099 3.445 1.00 0.00 C ATOM 684 C PRO A 41 -1.677 3.252 4.497 1.00 0.00 C ATOM 685 O PRO A 41 -0.509 3.508 4.171 1.00 0.00 O ATOM 686 CB PRO A 41 -2.616 1.788 2.674 1.00 0.00 C ATOM 687 CG PRO A 41 -3.118 2.102 1.301 1.00 0.00 C ATOM 688 CD PRO A 41 -2.728 3.555 1.028 1.00 0.00 C ATOM 0 HA PRO A 41 -3.711 3.159 3.997 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.576 1.462 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.192 0.985 3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.675 1.434 0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.198 1.971 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.770 3.625 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.464 4.058 0.401 1.00 0.00 H new ATOM 696 N SER A 42 -2.077 3.170 5.755 1.00 0.00 N ATOM 697 CA SER A 42 -1.168 3.391 6.865 1.00 0.00 C ATOM 698 C SER A 42 -0.177 2.244 6.995 1.00 0.00 C ATOM 699 O SER A 42 -0.542 1.070 6.852 1.00 0.00 O ATOM 700 CB SER A 42 -1.962 3.558 8.160 1.00 0.00 C ATOM 701 OG SER A 42 -3.079 4.423 7.924 1.00 0.00 O ATOM 0 H SER A 42 -3.033 2.950 6.033 1.00 0.00 H new ATOM 0 HA SER A 42 -0.602 4.303 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.308 2.587 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.324 3.974 8.940 1.00 0.00 H new ATOM 0 HG SER A 42 -3.591 4.530 8.753 1.00 0.00 H new ATOM 707 N LEU A 43 1.063 2.579 7.304 1.00 0.00 N ATOM 708 CA LEU A 43 2.106 1.579 7.454 1.00 0.00 C ATOM 709 C LEU A 43 1.780 0.639 8.600 1.00 0.00 C ATOM 710 O LEU A 43 1.913 -0.571 8.474 1.00 0.00 O ATOM 711 CB LEU A 43 3.454 2.258 7.708 1.00 0.00 C ATOM 712 CG LEU A 43 3.908 3.010 6.447 1.00 0.00 C ATOM 713 CD1 LEU A 43 5.147 3.842 6.768 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.247 2.009 5.335 1.00 0.00 C ATOM 0 H LEU A 43 1.373 3.539 7.456 1.00 0.00 H new ATOM 0 HA LEU A 43 2.165 1.001 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.370 2.952 8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.200 1.513 7.986 1.00 0.00 H new ATOM 0 HG LEU A 43 3.102 3.663 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.469 4.375 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.910 4.560 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.948 3.185 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.568 2.549 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.050 1.352 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.365 1.414 5.100 1.00 0.00 H new ATOM 726 N GLN A 44 1.297 1.199 9.694 1.00 0.00 N ATOM 727 CA GLN A 44 0.950 0.405 10.864 1.00 0.00 C ATOM 728 C GLN A 44 -0.024 -0.695 10.483 1.00 0.00 C ATOM 729 O GLN A 44 0.206 -1.867 10.781 1.00 0.00 O ATOM 730 CB GLN A 44 0.377 1.290 12.002 1.00 0.00 C ATOM 731 CG GLN A 44 -0.544 2.396 11.443 1.00 0.00 C ATOM 732 CD GLN A 44 0.287 3.552 10.887 1.00 0.00 C ATOM 733 OE1 GLN A 44 0.692 3.514 9.728 1.00 0.00 O ATOM 734 NE2 GLN A 44 0.568 4.569 11.633 1.00 0.00 N ATOM 0 H GLN A 44 1.135 2.201 9.799 1.00 0.00 H new ATOM 0 HA GLN A 44 1.862 -0.057 11.243 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.181 0.669 12.703 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.196 1.744 12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.180 1.986 10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.204 2.760 12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.233 4.603 12.596 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.125 5.337 11.259 1.00 0.00 H new ATOM 743 N LEU A 45 -1.016 -0.342 9.686 1.00 0.00 N ATOM 744 CA LEU A 45 -1.912 -1.335 9.118 1.00 0.00 C ATOM 745 C LEU A 45 -1.132 -2.247 8.186 1.00 0.00 C ATOM 746 O LEU A 45 -1.374 -3.458 8.120 1.00 0.00 O ATOM 747 CB LEU A 45 -3.051 -0.661 8.345 1.00 0.00 C ATOM 748 CG LEU A 45 -3.985 0.074 9.317 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.015 0.881 8.526 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.713 -0.943 10.204 1.00 0.00 C ATOM 0 H LEU A 45 -1.222 0.620 9.418 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.344 -1.919 9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.642 0.042 7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.612 -1.408 7.784 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.395 0.745 9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.677 1.402 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.502 1.608 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.601 0.208 7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.375 -0.417 10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.300 -1.616 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.982 -1.519 10.772 1.00 0.00 H new ATOM 762 N ALA A 46 -0.236 -1.640 7.426 1.00 0.00 N ATOM 763 CA ALA A 46 0.541 -2.337 6.415 1.00 0.00 C ATOM 764 C ALA A 46 1.381 -3.477 6.981 1.00 0.00 C ATOM 765 O ALA A 46 1.766 -4.365 6.238 1.00 0.00 O ATOM 766 CB ALA A 46 1.438 -1.364 5.642 1.00 0.00 C ATOM 0 H ALA A 46 -0.026 -0.644 7.493 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.186 -2.781 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.008 -1.912 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.821 -0.612 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.124 -0.874 6.333 1.00 0.00 H new ATOM 772 N LEU A 47 1.739 -3.423 8.262 1.00 0.00 N ATOM 773 CA LEU A 47 2.662 -4.437 8.801 1.00 0.00 C ATOM 774 C LEU A 47 2.102 -5.850 8.669 1.00 0.00 C ATOM 775 O LEU A 47 2.784 -6.740 8.164 1.00 0.00 O ATOM 776 CB LEU A 47 3.039 -4.151 10.268 1.00 0.00 C ATOM 777 CG LEU A 47 4.276 -3.228 10.348 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.487 -3.906 9.697 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.001 -1.900 9.647 1.00 0.00 C ATOM 0 H LEU A 47 1.423 -2.720 8.930 1.00 0.00 H new ATOM 0 HA LEU A 47 3.567 -4.374 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.198 -3.684 10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.245 -5.088 10.784 1.00 0.00 H new ATOM 0 HG LEU A 47 4.490 -3.037 11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.352 -3.245 9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.705 -4.839 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.267 -4.117 8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.883 -1.264 9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.765 -2.084 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.158 -1.403 10.127 1.00 0.00 H new ATOM 791 N LYS A 48 0.830 -6.037 8.990 1.00 0.00 N ATOM 792 CA LYS A 48 0.205 -7.341 8.764 1.00 0.00 C ATOM 793 C LYS A 48 0.157 -7.654 7.278 1.00 0.00 C ATOM 794 O LYS A 48 0.419 -8.785 6.851 1.00 0.00 O ATOM 795 CB LYS A 48 -1.196 -7.417 9.373 1.00 0.00 C ATOM 796 CG LYS A 48 -1.094 -7.457 10.902 1.00 0.00 C ATOM 797 CD LYS A 48 -2.501 -7.571 11.510 1.00 0.00 C ATOM 798 CE LYS A 48 -2.407 -7.558 13.038 1.00 0.00 C ATOM 799 NZ LYS A 48 -1.533 -8.673 13.497 1.00 0.00 N ATOM 0 H LYS A 48 0.221 -5.327 9.397 1.00 0.00 H new ATOM 0 HA LYS A 48 0.818 -8.090 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.786 -6.555 9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.713 -8.305 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.483 -8.304 11.214 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.601 -6.556 11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.123 -6.744 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.979 -8.491 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.005 -6.604 13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.401 -7.659 13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.922 -9.082 14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.490 -9.406 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.576 -8.311 13.681 1.00 0.00 H new ATOM 813 N ILE A 49 -0.153 -6.640 6.496 1.00 0.00 N ATOM 814 CA ILE A 49 -0.185 -6.760 5.051 1.00 0.00 C ATOM 815 C ILE A 49 1.220 -7.070 4.526 1.00 0.00 C ATOM 816 O ILE A 49 1.392 -7.871 3.605 1.00 0.00 O ATOM 817 CB ILE A 49 -0.725 -5.458 4.436 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.202 -5.289 4.818 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.608 -5.506 2.912 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.680 -3.886 4.434 1.00 0.00 C ATOM 0 H ILE A 49 -0.390 -5.710 6.843 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.847 -7.578 4.766 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.141 -4.619 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.807 -6.041 4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.330 -5.446 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.993 -4.579 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.438 -5.626 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.185 -6.348 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.729 -3.771 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.084 -3.141 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.568 -3.745 3.359 1.00 0.00 H new ATOM 832 N ALA A 50 2.206 -6.368 5.076 1.00 0.00 N ATOM 833 CA ALA A 50 3.601 -6.480 4.655 1.00 0.00 C ATOM 834 C ALA A 50 3.991 -7.923 4.403 1.00 0.00 C ATOM 835 O ALA A 50 4.813 -8.205 3.535 1.00 0.00 O ATOM 836 CB ALA A 50 4.531 -5.862 5.706 1.00 0.00 C ATOM 0 H ALA A 50 2.060 -5.700 5.833 1.00 0.00 H new ATOM 0 HA ALA A 50 3.706 -5.932 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.566 -5.954 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.284 -4.808 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.405 -6.383 6.655 1.00 0.00 H new ATOM 842 N TYR A 51 3.379 -8.838 5.139 1.00 0.00 N ATOM 843 CA TYR A 51 3.647 -10.256 4.945 1.00 0.00 C ATOM 844 C TYR A 51 3.298 -10.638 3.511 1.00 0.00 C ATOM 845 O TYR A 51 4.139 -11.151 2.770 1.00 0.00 O ATOM 846 CB TYR A 51 2.792 -11.081 5.916 1.00 0.00 C ATOM 847 CG TYR A 51 3.343 -10.969 7.321 1.00 0.00 C ATOM 848 CD1 TYR A 51 3.065 -9.836 8.097 1.00 0.00 C ATOM 849 CD2 TYR A 51 4.118 -12.001 7.851 1.00 0.00 C ATOM 850 CE1 TYR A 51 3.566 -9.737 9.398 1.00 0.00 C ATOM 851 CE2 TYR A 51 4.620 -11.904 9.150 1.00 0.00 C ATOM 852 CZ TYR A 51 4.345 -10.771 9.925 1.00 0.00 C ATOM 853 OH TYR A 51 4.844 -10.673 11.211 1.00 0.00 O ATOM 0 H TYR A 51 2.699 -8.628 5.870 1.00 0.00 H new ATOM 0 HA TYR A 51 4.701 -10.458 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.761 -10.729 5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.780 -12.125 5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.463 -9.038 7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.330 -12.877 7.255 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.352 -8.863 9.995 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.221 -12.704 9.557 1.00 0.00 H new ATOM 0 HH TYR A 51 5.363 -11.477 11.423 1.00 0.00 H new ATOM 863 N TYR A 52 2.106 -10.239 3.086 1.00 0.00 N ATOM 864 CA TYR A 52 1.688 -10.373 1.697 1.00 0.00 C ATOM 865 C TYR A 52 2.385 -9.365 0.810 1.00 0.00 C ATOM 866 O TYR A 52 2.741 -9.670 -0.332 1.00 0.00 O ATOM 867 CB TYR A 52 0.172 -10.253 1.558 1.00 0.00 C ATOM 868 CG TYR A 52 -0.456 -11.620 1.689 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.617 -12.213 2.946 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.871 -12.299 0.538 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.197 -13.484 3.047 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.446 -13.563 0.639 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.611 -14.156 1.891 1.00 0.00 C ATOM 874 OH TYR A 52 -2.179 -15.405 1.983 1.00 0.00 O ATOM 0 H TYR A 52 1.404 -9.815 3.692 1.00 0.00 H new ATOM 0 HA TYR A 52 1.980 -11.370 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.222 -9.585 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.082 -9.816 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.295 -11.692 3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.745 -11.841 -0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.325 -13.945 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.764 -14.084 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.409 -15.727 1.086 1.00 0.00 H new ATOM 884 N LEU A 53 2.544 -8.145 1.316 1.00 0.00 N ATOM 885 CA LEU A 53 3.182 -7.091 0.539 1.00 0.00 C ATOM 886 C LEU A 53 4.641 -7.449 0.288 1.00 0.00 C ATOM 887 O LEU A 53 5.560 -6.805 0.797 1.00 0.00 O ATOM 888 CB LEU A 53 3.062 -5.715 1.239 1.00 0.00 C ATOM 889 CG LEU A 53 2.481 -4.642 0.277 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.104 -4.747 -1.121 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.961 -4.786 0.169 1.00 0.00 C ATOM 0 H LEU A 53 2.243 -7.865 2.250 1.00 0.00 H new ATOM 0 HA LEU A 53 2.666 -7.009 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.421 -5.805 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.043 -5.397 1.592 1.00 0.00 H new ATOM 0 HG LEU A 53 2.725 -3.664 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.675 -3.982 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.182 -4.601 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.898 -5.733 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.571 -4.027 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.716 -5.776 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.512 -4.658 1.154 1.00 0.00 H new ATOM 903 N ASN A 54 4.839 -8.506 -0.478 1.00 0.00 N ATOM 904 CA ASN A 54 6.168 -8.988 -0.810 1.00 0.00 C ATOM 905 C ASN A 54 6.897 -7.960 -1.644 1.00 0.00 C ATOM 906 O ASN A 54 7.118 -8.140 -2.844 1.00 0.00 O ATOM 907 CB ASN A 54 6.076 -10.320 -1.552 1.00 0.00 C ATOM 908 CG ASN A 54 5.999 -11.462 -0.552 1.00 0.00 C ATOM 909 OD1 ASN A 54 7.029 -11.899 -0.028 1.00 0.00 O ATOM 910 ND2 ASN A 54 4.847 -11.971 -0.239 1.00 0.00 N ATOM 0 H ASN A 54 4.083 -9.055 -0.888 1.00 0.00 H new ATOM 0 HA ASN A 54 6.729 -9.148 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.196 -10.328 -2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.945 -10.448 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.793 -12.731 0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.996 -11.611 -0.671 1.00 0.00 H new ATOM 917 N THR A 55 7.185 -6.854 -1.016 1.00 0.00 N ATOM 918 CA THR A 55 7.823 -5.723 -1.640 1.00 0.00 C ATOM 919 C THR A 55 8.440 -4.875 -0.538 1.00 0.00 C ATOM 920 O THR A 55 7.788 -4.624 0.483 1.00 0.00 O ATOM 921 CB THR A 55 6.765 -4.918 -2.411 1.00 0.00 C ATOM 922 OG1 THR A 55 6.104 -5.775 -3.348 1.00 0.00 O ATOM 923 CG2 THR A 55 7.418 -3.746 -3.149 1.00 0.00 C ATOM 0 H THR A 55 6.977 -6.708 -0.028 1.00 0.00 H new ATOM 0 HA THR A 55 8.597 -6.039 -2.339 1.00 0.00 H new ATOM 0 HB THR A 55 6.037 -4.520 -1.704 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.649 -6.575 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.655 -3.186 -3.690 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.907 -3.090 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.157 -4.126 -3.854 1.00 0.00 H new ATOM 931 N PRO A 56 9.703 -4.538 -0.640 1.00 0.00 N ATOM 932 CA PRO A 56 10.368 -3.797 0.474 1.00 0.00 C ATOM 933 C PRO A 56 9.629 -2.505 0.787 1.00 0.00 C ATOM 934 O PRO A 56 9.383 -1.695 -0.103 1.00 0.00 O ATOM 935 CB PRO A 56 11.765 -3.483 -0.083 1.00 0.00 C ATOM 936 CG PRO A 56 11.996 -4.526 -1.121 1.00 0.00 C ATOM 937 CD PRO A 56 10.636 -4.764 -1.764 1.00 0.00 C ATOM 0 HA PRO A 56 10.390 -4.370 1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.806 -2.481 -0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.523 -3.527 0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.726 -4.192 -1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.387 -5.442 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.452 -4.075 -2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.549 -5.773 -2.166 1.00 0.00 H new ATOM 945 N LEU A 57 9.399 -2.256 2.061 1.00 0.00 N ATOM 946 CA LEU A 57 8.811 -1.000 2.487 1.00 0.00 C ATOM 947 C LEU A 57 9.767 0.122 2.167 1.00 0.00 C ATOM 948 O LEU A 57 9.365 1.206 1.757 1.00 0.00 O ATOM 949 CB LEU A 57 8.464 -1.021 3.979 1.00 0.00 C ATOM 950 CG LEU A 57 7.337 -2.042 4.230 1.00 0.00 C ATOM 951 CD1 LEU A 57 7.052 -2.143 5.729 1.00 0.00 C ATOM 952 CD2 LEU A 57 6.061 -1.613 3.488 1.00 0.00 C ATOM 0 H LEU A 57 9.610 -2.905 2.819 1.00 0.00 H new ATOM 0 HA LEU A 57 7.876 -0.844 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.345 -1.284 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.150 -0.029 4.304 1.00 0.00 H new ATOM 0 HG LEU A 57 7.654 -3.016 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.255 -2.866 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.953 -2.467 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.745 -1.168 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.271 -2.341 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.743 -0.634 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.263 -1.559 2.418 1.00 0.00 H new ATOM 964 N GLU A 58 11.044 -0.168 2.321 1.00 0.00 N ATOM 965 CA GLU A 58 12.095 0.788 2.036 1.00 0.00 C ATOM 966 C GLU A 58 11.920 1.351 0.627 1.00 0.00 C ATOM 967 O GLU A 58 12.378 2.461 0.333 1.00 0.00 O ATOM 968 CB GLU A 58 13.461 0.104 2.147 1.00 0.00 C ATOM 969 CG GLU A 58 13.544 -0.689 3.460 1.00 0.00 C ATOM 970 CD GLU A 58 13.041 -2.102 3.243 1.00 0.00 C ATOM 971 OE1 GLU A 58 13.832 -2.932 2.870 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.867 -2.336 3.448 1.00 0.00 O ATOM 0 H GLU A 58 11.382 -1.073 2.647 1.00 0.00 H new ATOM 0 HA GLU A 58 12.038 1.603 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.613 -0.563 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.255 0.850 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.574 -0.711 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.950 -0.197 4.230 1.00 0.00 H new ATOM 979 N ASP A 59 11.205 0.608 -0.216 1.00 0.00 N ATOM 980 CA ASP A 59 10.903 1.053 -1.572 1.00 0.00 C ATOM 981 C ASP A 59 10.067 2.320 -1.502 1.00 0.00 C ATOM 982 O ASP A 59 10.247 3.246 -2.290 1.00 0.00 O ATOM 983 CB ASP A 59 10.138 -0.042 -2.334 1.00 0.00 C ATOM 984 CG ASP A 59 10.175 0.221 -3.826 1.00 0.00 C ATOM 985 OD1 ASP A 59 11.252 0.174 -4.386 1.00 0.00 O ATOM 986 OD2 ASP A 59 9.131 0.443 -4.406 1.00 0.00 O ATOM 0 H ASP A 59 10.823 -0.308 0.019 1.00 0.00 H new ATOM 0 HA ASP A 59 11.833 1.256 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.578 -1.016 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.104 -0.077 -1.991 1.00 0.00 H new ATOM 991 N ILE A 60 9.220 2.385 -0.483 1.00 0.00 N ATOM 992 CA ILE A 60 8.401 3.558 -0.225 1.00 0.00 C ATOM 993 C ILE A 60 9.303 4.745 0.071 1.00 0.00 C ATOM 994 O ILE A 60 9.024 5.872 -0.343 1.00 0.00 O ATOM 995 CB ILE A 60 7.474 3.305 0.983 1.00 0.00 C ATOM 996 CG1 ILE A 60 6.443 2.232 0.634 1.00 0.00 C ATOM 997 CG2 ILE A 60 6.736 4.599 1.363 1.00 0.00 C ATOM 998 CD1 ILE A 60 5.706 1.809 1.906 1.00 0.00 C ATOM 0 H ILE A 60 9.083 1.627 0.186 1.00 0.00 H new ATOM 0 HA ILE A 60 7.790 3.766 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 60 8.083 2.971 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.735 2.616 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.935 1.371 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.085 4.409 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.462 5.369 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.137 4.938 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.969 1.044 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.421 1.409 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.202 2.673 2.339 1.00 0.00 H new