USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 25 THR OG1 : rot -44:sc= 0.119 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0.116 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.65 X(o=-0.57,f=-0.28) USER MOD Set 2.3: A 83 TYR OH : rot 97:sc= 0.0752 USER MOD Set 3.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 72 MET CE :methyl 170:sc= -1.26 (180deg=-1.4) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 35 ASN : amide:sc= 0.0218 X(o=0.16,f=0.31) USER MOD Set 4.3: A 38 ASN : amide:sc= 0.138 X(o=0.16,f=0.31) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.95 USER MOD Single : A 26 THR OG1 : rot 176:sc= 0.702 USER MOD Single : A 29 SER OG : rot 48:sc= 0.284 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -5.32! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 178:sc= 0.29 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 77 TYR OH : rot -5:sc= 1.43 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.627 K(o=-0.63,f=-9.2!) USER MOD Single : A 88 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 92 SER OG : rot -18:sc= 0.958 USER MOD Single : A 95 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.12) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 6.956 -17.196 1.357 1.00 0.00 N ATOM 84 CA ASP A 10 5.880 -17.456 2.307 1.00 0.00 C ATOM 85 C ASP A 10 5.225 -16.154 2.756 1.00 0.00 C ATOM 86 O ASP A 10 5.853 -15.297 3.379 1.00 0.00 O ATOM 87 CB ASP A 10 6.416 -18.217 3.520 1.00 0.00 C ATOM 88 CG ASP A 10 6.460 -19.715 3.291 1.00 0.00 C ATOM 89 OD1 ASP A 10 5.386 -20.352 3.327 1.00 0.00 O ATOM 90 OD2 ASP A 10 7.567 -20.250 3.076 1.00 0.00 O ATOM 0 HA ASP A 10 5.127 -18.067 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.418 -17.859 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.789 -18.003 4.386 1.00 0.00 H new ATOM 95 N PRO A 11 3.933 -15.999 2.433 1.00 0.00 N ATOM 96 CA PRO A 11 3.164 -14.804 2.793 1.00 0.00 C ATOM 97 C PRO A 11 2.901 -14.714 4.292 1.00 0.00 C ATOM 98 O PRO A 11 2.761 -13.622 4.843 1.00 0.00 O ATOM 99 CB PRO A 11 1.850 -14.983 2.029 1.00 0.00 C ATOM 100 CG PRO A 11 1.720 -16.455 1.840 1.00 0.00 C ATOM 101 CD PRO A 11 3.122 -16.979 1.691 1.00 0.00 C ATOM 0 HA PRO A 11 3.696 -13.886 2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.007 -14.580 2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.874 -14.461 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.220 -16.915 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.122 -16.684 0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.223 -17.981 2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.420 -17.037 0.644 1.00 0.00 H new ATOM 109 N GLY A 12 2.836 -15.869 4.948 1.00 0.00 N ATOM 110 CA GLY A 12 2.590 -15.897 6.378 1.00 0.00 C ATOM 111 C GLY A 12 3.659 -15.165 7.164 1.00 0.00 C ATOM 112 O GLY A 12 3.455 -14.819 8.329 1.00 0.00 O ATOM 0 H GLY A 12 2.949 -16.785 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.619 -15.448 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.540 -16.932 6.715 1.00 0.00 H new ATOM 116 N LEU A 13 4.801 -14.929 6.529 1.00 0.00 N ATOM 117 CA LEU A 13 5.908 -14.234 7.178 1.00 0.00 C ATOM 118 C LEU A 13 6.070 -12.825 6.616 1.00 0.00 C ATOM 119 O LEU A 13 7.093 -12.175 6.830 1.00 0.00 O ATOM 120 CB LEU A 13 7.207 -15.021 6.996 1.00 0.00 C ATOM 121 CG LEU A 13 7.117 -16.529 7.235 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.492 -17.169 7.126 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.498 -16.817 8.595 1.00 0.00 C ATOM 0 H LEU A 13 4.985 -15.208 5.565 1.00 0.00 H new ATOM 0 HA LEU A 13 5.683 -14.157 8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.570 -14.855 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.955 -14.610 7.673 1.00 0.00 H new ATOM 0 HG LEU A 13 6.476 -16.962 6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.409 -18.242 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.898 -16.992 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.157 -16.732 7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.442 -17.895 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.113 -16.371 9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.495 -16.392 8.636 1.00 0.00 H new ATOM 135 N VAL A 14 5.054 -12.359 5.897 1.00 0.00 N ATOM 136 CA VAL A 14 5.082 -11.027 5.307 1.00 0.00 C ATOM 137 C VAL A 14 4.003 -10.135 5.911 1.00 0.00 C ATOM 138 O VAL A 14 2.824 -10.489 5.919 1.00 0.00 O ATOM 139 CB VAL A 14 4.890 -11.085 3.780 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.671 -9.689 3.216 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.085 -11.754 3.118 1.00 0.00 C ATOM 0 H VAL A 14 4.201 -12.885 5.709 1.00 0.00 H new ATOM 0 HA VAL A 14 6.063 -10.605 5.526 1.00 0.00 H new ATOM 0 HB VAL A 14 4.003 -11.681 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.537 -9.750 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.782 -9.250 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.537 -9.066 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.932 -11.786 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.989 -11.186 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.191 -12.769 3.500 1.00 0.00 H new ATOM 151 N SER A 15 4.414 -8.976 6.415 1.00 0.00 N ATOM 152 CA SER A 15 3.482 -8.034 7.024 1.00 0.00 C ATOM 153 C SER A 15 3.844 -6.598 6.657 1.00 0.00 C ATOM 154 O SER A 15 4.995 -6.297 6.342 1.00 0.00 O ATOM 155 CB SER A 15 3.479 -8.199 8.545 1.00 0.00 C ATOM 156 OG SER A 15 4.723 -7.812 9.102 1.00 0.00 O ATOM 0 H SER A 15 5.386 -8.667 6.414 1.00 0.00 H new ATOM 0 HA SER A 15 2.484 -8.248 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.680 -7.597 8.978 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.270 -9.238 8.801 1.00 0.00 H new ATOM 0 HG SER A 15 4.695 -7.925 10.075 1.00 0.00 H new ATOM 162 N ALA A 16 2.852 -5.715 6.701 1.00 0.00 N ATOM 163 CA ALA A 16 3.065 -4.310 6.376 1.00 0.00 C ATOM 164 C ALA A 16 2.632 -3.408 7.527 1.00 0.00 C ATOM 165 O ALA A 16 1.639 -3.681 8.203 1.00 0.00 O ATOM 166 CB ALA A 16 2.315 -3.943 5.104 1.00 0.00 C ATOM 0 H ALA A 16 1.893 -5.948 6.959 1.00 0.00 H new ATOM 0 HA ALA A 16 4.132 -4.158 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.483 -2.891 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.675 -4.558 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.249 -4.117 5.247 1.00 0.00 H new ATOM 172 N TYR A 17 3.382 -2.334 7.745 1.00 0.00 N ATOM 173 CA TYR A 17 3.077 -1.394 8.817 1.00 0.00 C ATOM 174 C TYR A 17 3.242 0.047 8.342 1.00 0.00 C ATOM 175 O TYR A 17 4.147 0.357 7.569 1.00 0.00 O ATOM 176 CB TYR A 17 3.982 -1.651 10.023 1.00 0.00 C ATOM 177 CG TYR A 17 5.457 -1.534 9.709 1.00 0.00 C ATOM 178 CD1 TYR A 17 6.078 -0.292 9.655 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.228 -2.664 9.467 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.425 -0.180 9.368 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.575 -2.561 9.180 1.00 0.00 C ATOM 182 CZ TYR A 17 8.169 -1.317 9.132 1.00 0.00 C ATOM 183 OH TYR A 17 9.511 -1.210 8.846 1.00 0.00 O ATOM 0 H TYR A 17 4.206 -2.092 7.194 1.00 0.00 H new ATOM 0 HA TYR A 17 2.038 -1.544 9.112 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.730 -0.944 10.813 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.780 -2.649 10.412 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.498 0.600 9.840 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.766 -3.640 9.504 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.893 0.793 9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.160 -3.450 8.994 1.00 0.00 H new ATOM 0 HH TYR A 17 9.888 -2.104 8.707 1.00 0.00 H new ATOM 193 N GLY A 18 2.359 0.923 8.812 1.00 0.00 N ATOM 194 CA GLY A 18 2.423 2.320 8.425 1.00 0.00 C ATOM 195 C GLY A 18 1.068 2.997 8.471 1.00 0.00 C ATOM 196 O GLY A 18 0.025 2.344 8.517 1.00 0.00 O ATOM 0 H GLY A 18 1.601 0.690 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.111 2.846 9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.830 2.396 7.417 1.00 0.00 H new ATOM 200 N PRO A 19 1.071 4.338 8.460 1.00 0.00 N ATOM 201 CA PRO A 19 -0.160 5.133 8.502 1.00 0.00 C ATOM 202 C PRO A 19 -0.962 5.028 7.209 1.00 0.00 C ATOM 203 O PRO A 19 -2.144 5.368 7.171 1.00 0.00 O ATOM 204 CB PRO A 19 0.348 6.564 8.700 1.00 0.00 C ATOM 205 CG PRO A 19 1.729 6.557 8.140 1.00 0.00 C ATOM 206 CD PRO A 19 2.277 5.182 8.406 1.00 0.00 C ATOM 0 HA PRO A 19 -0.837 4.794 9.286 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.285 7.284 8.182 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.350 6.841 9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.718 6.773 7.072 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.346 7.321 8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.957 4.861 7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.835 5.146 9.342 1.00 0.00 H new ATOM 214 N GLY A 20 -0.312 4.553 6.151 1.00 0.00 N ATOM 215 CA GLY A 20 -0.981 4.410 4.871 1.00 0.00 C ATOM 216 C GLY A 20 -1.949 3.244 4.850 1.00 0.00 C ATOM 217 O GLY A 20 -2.943 3.266 4.122 1.00 0.00 O ATOM 0 H GLY A 20 0.666 4.265 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.519 5.329 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.235 4.273 4.088 1.00 0.00 H new ATOM 221 N LEU A 21 -1.660 2.223 5.648 1.00 0.00 N ATOM 222 CA LEU A 21 -2.512 1.041 5.717 1.00 0.00 C ATOM 223 C LEU A 21 -3.690 1.273 6.658 1.00 0.00 C ATOM 224 O LEU A 21 -4.799 0.803 6.406 1.00 0.00 O ATOM 225 CB LEU A 21 -1.702 -0.170 6.185 1.00 0.00 C ATOM 226 CG LEU A 21 -0.308 -0.321 5.575 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.610 -1.076 6.523 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.389 -1.029 4.231 1.00 0.00 C ATOM 0 H LEU A 21 -0.842 2.189 6.257 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.901 0.846 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.599 -0.116 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.273 -1.072 5.964 1.00 0.00 H new ATOM 0 HG LEU A 21 0.108 0.674 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.598 -1.174 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.692 -0.529 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.199 -2.067 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.612 -1.128 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.825 -2.019 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.012 -0.448 3.551 1.00 0.00 H new ATOM 240 N GLU A 22 -3.442 2.003 7.741 1.00 0.00 N ATOM 241 CA GLU A 22 -4.483 2.299 8.718 1.00 0.00 C ATOM 242 C GLU A 22 -5.266 3.546 8.318 1.00 0.00 C ATOM 243 O GLU A 22 -6.409 3.734 8.732 1.00 0.00 O ATOM 244 CB GLU A 22 -3.871 2.491 10.106 1.00 0.00 C ATOM 245 CG GLU A 22 -3.684 1.193 10.875 1.00 0.00 C ATOM 246 CD GLU A 22 -4.907 0.816 11.688 1.00 0.00 C ATOM 247 OE1 GLU A 22 -5.502 1.715 12.318 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.269 -0.379 11.695 1.00 0.00 O ATOM 0 H GLU A 22 -2.529 2.400 7.964 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.170 1.453 8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.905 2.984 10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.509 3.158 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.456 0.390 10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.826 1.289 11.540 1.00 0.00 H new ATOM 255 N GLY A 23 -4.640 4.396 7.509 1.00 0.00 N ATOM 256 CA GLY A 23 -5.292 5.615 7.067 1.00 0.00 C ATOM 257 C GLY A 23 -4.596 6.862 7.576 1.00 0.00 C ATOM 258 O GLY A 23 -3.731 6.787 8.447 1.00 0.00 O ATOM 0 H GLY A 23 -3.694 4.262 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.317 5.636 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.327 5.615 7.410 1.00 0.00 H new ATOM 262 N GLY A 24 -4.974 8.014 7.029 1.00 0.00 N ATOM 263 CA GLY A 24 -4.368 9.266 7.444 1.00 0.00 C ATOM 264 C GLY A 24 -5.264 10.460 7.176 1.00 0.00 C ATOM 265 O GLY A 24 -6.399 10.514 7.651 1.00 0.00 O ATOM 0 H GLY A 24 -5.689 8.102 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.138 9.220 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.422 9.400 6.919 1.00 0.00 H new ATOM 269 N THR A 25 -4.753 11.422 6.414 1.00 0.00 N ATOM 270 CA THR A 25 -5.512 12.621 6.086 1.00 0.00 C ATOM 271 C THR A 25 -5.449 12.921 4.593 1.00 0.00 C ATOM 272 O THR A 25 -4.507 12.523 3.908 1.00 0.00 O ATOM 273 CB THR A 25 -4.994 13.845 6.866 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.339 13.726 8.251 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.576 15.132 6.302 1.00 0.00 C ATOM 0 H THR A 25 -3.816 11.393 6.012 1.00 0.00 H new ATOM 0 HA THR A 25 -6.546 12.428 6.372 1.00 0.00 H new ATOM 0 HB THR A 25 -3.909 13.880 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.269 13.427 8.332 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.196 15.982 6.869 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.287 15.234 5.256 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.663 15.103 6.377 1.00 0.00 H new ATOM 283 N THR A 26 -6.459 13.626 4.093 1.00 0.00 N ATOM 284 CA THR A 26 -6.519 13.979 2.680 1.00 0.00 C ATOM 285 C THR A 26 -5.440 14.994 2.321 1.00 0.00 C ATOM 286 O THR A 26 -5.075 15.841 3.135 1.00 0.00 O ATOM 287 CB THR A 26 -7.897 14.556 2.303 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.287 15.554 3.252 1.00 0.00 O ATOM 289 CG2 THR A 26 -8.948 13.457 2.254 1.00 0.00 C ATOM 0 H THR A 26 -7.247 13.964 4.646 1.00 0.00 H new ATOM 0 HA THR A 26 -6.352 13.061 2.117 1.00 0.00 H new ATOM 0 HB THR A 26 -7.819 15.007 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.130 15.965 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.913 13.888 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.663 12.714 1.509 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.022 12.981 3.232 1.00 0.00 H new ATOM 297 N GLY A 27 -4.934 14.904 1.094 1.00 0.00 N ATOM 298 CA GLY A 27 -3.902 15.822 0.649 1.00 0.00 C ATOM 299 C GLY A 27 -2.570 15.572 1.329 1.00 0.00 C ATOM 300 O GLY A 27 -1.659 16.395 1.247 1.00 0.00 O ATOM 0 H GLY A 27 -5.220 14.212 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.778 15.729 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.221 16.845 0.847 1.00 0.00 H new ATOM 304 N VAL A 28 -2.458 14.433 2.005 1.00 0.00 N ATOM 305 CA VAL A 28 -1.228 14.077 2.703 1.00 0.00 C ATOM 306 C VAL A 28 -0.648 12.774 2.165 1.00 0.00 C ATOM 307 O VAL A 28 -1.227 11.703 2.346 1.00 0.00 O ATOM 308 CB VAL A 28 -1.465 13.933 4.219 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.225 13.378 4.903 1.00 0.00 C ATOM 310 CG2 VAL A 28 -1.865 15.269 4.824 1.00 0.00 C ATOM 0 H VAL A 28 -3.203 13.741 2.084 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.519 14.886 2.528 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.283 13.230 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.411 13.283 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.012 12.398 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.614 14.054 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.028 15.149 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.070 15.996 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.783 15.621 4.354 1.00 0.00 H new ATOM 320 N SER A 29 0.500 12.873 1.501 1.00 0.00 N ATOM 321 CA SER A 29 1.158 11.702 0.933 1.00 0.00 C ATOM 322 C SER A 29 1.512 10.695 2.023 1.00 0.00 C ATOM 323 O SER A 29 2.458 10.895 2.784 1.00 0.00 O ATOM 324 CB SER A 29 2.421 12.118 0.177 1.00 0.00 C ATOM 325 OG SER A 29 3.234 12.965 0.970 1.00 0.00 O ATOM 0 H SER A 29 0.993 13.752 1.343 1.00 0.00 H new ATOM 0 HA SER A 29 0.466 11.228 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.986 11.231 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.145 12.632 -0.744 1.00 0.00 H new ATOM 0 HG SER A 29 3.342 12.573 1.862 1.00 0.00 H new ATOM 331 N SER A 30 0.745 9.612 2.091 1.00 0.00 N ATOM 332 CA SER A 30 0.974 8.575 3.090 1.00 0.00 C ATOM 333 C SER A 30 1.985 7.549 2.585 1.00 0.00 C ATOM 334 O SER A 30 2.285 7.493 1.393 1.00 0.00 O ATOM 335 CB SER A 30 -0.341 7.879 3.444 1.00 0.00 C ATOM 336 OG SER A 30 -1.304 8.812 3.904 1.00 0.00 O ATOM 0 H SER A 30 -0.040 9.430 1.466 1.00 0.00 H new ATOM 0 HA SER A 30 1.378 9.049 3.984 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.726 7.356 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.163 7.127 4.212 1.00 0.00 H new ATOM 0 HG SER A 30 -2.136 8.343 4.122 1.00 0.00 H new ATOM 342 N GLU A 31 2.506 6.741 3.503 1.00 0.00 N ATOM 343 CA GLU A 31 3.484 5.718 3.151 1.00 0.00 C ATOM 344 C GLU A 31 3.498 4.599 4.189 1.00 0.00 C ATOM 345 O GLU A 31 3.255 4.833 5.373 1.00 0.00 O ATOM 346 CB GLU A 31 4.880 6.334 3.031 1.00 0.00 C ATOM 347 CG GLU A 31 6.006 5.346 3.285 1.00 0.00 C ATOM 348 CD GLU A 31 6.413 5.289 4.744 1.00 0.00 C ATOM 349 OE1 GLU A 31 5.554 5.550 5.612 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.592 4.981 5.018 1.00 0.00 O ATOM 0 H GLU A 31 2.268 6.775 4.494 1.00 0.00 H new ATOM 0 HA GLU A 31 3.198 5.295 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.997 6.756 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.966 7.159 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.694 4.354 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.870 5.622 2.681 1.00 0.00 H new ATOM 357 N PHE A 32 3.785 3.383 3.736 1.00 0.00 N ATOM 358 CA PHE A 32 3.830 2.227 4.624 1.00 0.00 C ATOM 359 C PHE A 32 4.930 1.259 4.202 1.00 0.00 C ATOM 360 O PHE A 32 5.190 1.079 3.012 1.00 0.00 O ATOM 361 CB PHE A 32 2.478 1.510 4.630 1.00 0.00 C ATOM 362 CG PHE A 32 2.060 1.008 3.278 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.553 -0.189 2.785 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.173 1.735 2.499 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.169 -0.653 1.541 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.786 1.276 1.254 1.00 0.00 C ATOM 367 CZ PHE A 32 1.286 0.081 0.774 1.00 0.00 C ATOM 0 H PHE A 32 3.990 3.173 2.759 1.00 0.00 H new ATOM 0 HA PHE A 32 4.050 2.582 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.525 0.669 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.716 2.192 5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.245 -0.766 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.780 2.670 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.559 -1.589 1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.093 1.851 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.987 -0.279 -0.199 1.00 0.00 H new ATOM 377 N ILE A 33 5.574 0.639 5.185 1.00 0.00 N ATOM 378 CA ILE A 33 6.646 -0.311 4.916 1.00 0.00 C ATOM 379 C ILE A 33 6.131 -1.746 4.954 1.00 0.00 C ATOM 380 O ILE A 33 5.241 -2.077 5.737 1.00 0.00 O ATOM 381 CB ILE A 33 7.797 -0.163 5.928 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.593 1.112 5.645 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.705 -1.383 5.881 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.668 1.394 6.672 1.00 0.00 C ATOM 0 H ILE A 33 5.372 0.778 6.175 1.00 0.00 H new ATOM 0 HA ILE A 33 7.021 -0.089 3.917 1.00 0.00 H new ATOM 0 HB ILE A 33 7.373 -0.089 6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.054 1.032 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.907 1.958 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.514 -1.263 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.129 -2.275 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.124 -1.486 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.192 2.313 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.211 1.507 7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.376 0.566 6.694 1.00 0.00 H new ATOM 396 N VAL A 34 6.700 -2.596 4.104 1.00 0.00 N ATOM 397 CA VAL A 34 6.301 -3.997 4.042 1.00 0.00 C ATOM 398 C VAL A 34 7.452 -4.914 4.442 1.00 0.00 C ATOM 399 O VAL A 34 8.369 -5.153 3.657 1.00 0.00 O ATOM 400 CB VAL A 34 5.819 -4.381 2.631 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.331 -5.822 2.607 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.725 -3.432 2.166 1.00 0.00 C ATOM 0 H VAL A 34 7.438 -2.338 3.449 1.00 0.00 H new ATOM 0 HA VAL A 34 5.478 -4.124 4.746 1.00 0.00 H new ATOM 0 HB VAL A 34 6.660 -4.296 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.994 -6.075 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.145 -6.487 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.503 -5.938 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.396 -3.718 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.882 -3.484 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.113 -2.413 2.143 1.00 0.00 H new ATOM 412 N ASN A 35 7.396 -5.425 5.667 1.00 0.00 N ATOM 413 CA ASN A 35 8.434 -6.317 6.171 1.00 0.00 C ATOM 414 C ASN A 35 8.371 -7.673 5.475 1.00 0.00 C ATOM 415 O ASN A 35 7.553 -8.525 5.823 1.00 0.00 O ATOM 416 CB ASN A 35 8.288 -6.500 7.683 1.00 0.00 C ATOM 417 CG ASN A 35 8.962 -7.764 8.180 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.296 -8.730 8.553 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.290 -7.763 8.188 1.00 0.00 N ATOM 0 H ASN A 35 6.643 -5.237 6.329 1.00 0.00 H new ATOM 0 HA ASN A 35 9.402 -5.864 5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.717 -5.638 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.230 -6.530 7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.799 -8.585 8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.801 -6.940 7.870 1.00 0.00 H new ATOM 426 N THR A 36 9.243 -7.868 4.490 1.00 0.00 N ATOM 427 CA THR A 36 9.286 -9.119 3.745 1.00 0.00 C ATOM 428 C THR A 36 10.574 -9.885 4.031 1.00 0.00 C ATOM 429 O THR A 36 10.782 -10.983 3.515 1.00 0.00 O ATOM 430 CB THR A 36 9.174 -8.874 2.228 1.00 0.00 C ATOM 431 OG1 THR A 36 10.354 -8.219 1.749 1.00 0.00 O ATOM 432 CG2 THR A 36 7.952 -8.028 1.906 1.00 0.00 C ATOM 0 H THR A 36 9.929 -7.175 4.190 1.00 0.00 H new ATOM 0 HA THR A 36 8.433 -9.712 4.074 1.00 0.00 H new ATOM 0 HB THR A 36 9.069 -9.839 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.276 -8.068 0.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.894 -7.868 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.053 -8.543 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.032 -7.066 2.412 1.00 0.00 H new ATOM 440 N LEU A 37 11.434 -9.298 4.855 1.00 0.00 N ATOM 441 CA LEU A 37 12.702 -9.926 5.211 1.00 0.00 C ATOM 442 C LEU A 37 12.477 -11.321 5.785 1.00 0.00 C ATOM 443 O LEU A 37 13.193 -12.263 5.449 1.00 0.00 O ATOM 444 CB LEU A 37 13.456 -9.061 6.222 1.00 0.00 C ATOM 445 CG LEU A 37 13.701 -7.608 5.813 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.123 -6.778 7.015 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.753 -7.533 4.716 1.00 0.00 C ATOM 0 H LEU A 37 11.277 -8.389 5.289 1.00 0.00 H new ATOM 0 HA LEU A 37 13.300 -10.019 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.899 -9.065 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.420 -9.528 6.422 1.00 0.00 H new ATOM 0 HG LEU A 37 12.769 -7.199 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.293 -5.747 6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.337 -6.805 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.042 -7.186 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.915 -6.492 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.688 -7.961 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.411 -8.093 3.845 1.00 0.00 H new ATOM 459 N ASN A 38 11.477 -11.444 6.651 1.00 0.00 N ATOM 460 CA ASN A 38 11.156 -12.725 7.271 1.00 0.00 C ATOM 461 C ASN A 38 10.799 -13.766 6.214 1.00 0.00 C ATOM 462 O ASN A 38 11.071 -14.955 6.383 1.00 0.00 O ATOM 463 CB ASN A 38 9.996 -12.563 8.255 1.00 0.00 C ATOM 464 CG ASN A 38 10.451 -12.036 9.602 1.00 0.00 C ATOM 465 OD1 ASN A 38 10.961 -12.786 10.435 1.00 0.00 O ATOM 466 ND2 ASN A 38 10.268 -10.739 9.823 1.00 0.00 N ATOM 0 H ASN A 38 10.875 -10.673 6.940 1.00 0.00 H new ATOM 0 HA ASN A 38 12.037 -13.069 7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.257 -11.883 7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.502 -13.525 8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.554 -10.328 10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.841 -10.154 9.104 1.00 0.00 H new ATOM 473 N ALA A 39 10.189 -13.311 5.125 1.00 0.00 N ATOM 474 CA ALA A 39 9.798 -14.202 4.040 1.00 0.00 C ATOM 475 C ALA A 39 11.017 -14.858 3.400 1.00 0.00 C ATOM 476 O ALA A 39 11.092 -16.081 3.293 1.00 0.00 O ATOM 477 CB ALA A 39 8.996 -13.440 2.994 1.00 0.00 C ATOM 0 H ALA A 39 9.955 -12.330 4.971 1.00 0.00 H new ATOM 0 HA ALA A 39 9.173 -14.990 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.711 -14.118 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.099 -13.025 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.603 -12.631 2.588 1.00 0.00 H new ATOM 483 N GLY A 40 11.971 -14.035 2.976 1.00 0.00 N ATOM 484 CA GLY A 40 13.174 -14.553 2.352 1.00 0.00 C ATOM 485 C GLY A 40 13.439 -13.930 0.996 1.00 0.00 C ATOM 486 O GLY A 40 14.387 -13.162 0.832 1.00 0.00 O ATOM 0 H GLY A 40 11.932 -13.019 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.027 -14.369 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.085 -15.634 2.241 1.00 0.00 H new ATOM 490 N SER A 41 12.599 -14.261 0.020 1.00 0.00 N ATOM 491 CA SER A 41 12.750 -13.733 -1.331 1.00 0.00 C ATOM 492 C SER A 41 11.468 -13.923 -2.135 1.00 0.00 C ATOM 493 O SER A 41 10.773 -14.927 -1.988 1.00 0.00 O ATOM 494 CB SER A 41 13.919 -14.418 -2.042 1.00 0.00 C ATOM 495 OG SER A 41 13.784 -15.828 -2.002 1.00 0.00 O ATOM 0 H SER A 41 11.807 -14.892 0.140 1.00 0.00 H new ATOM 0 HA SER A 41 12.956 -12.665 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.965 -14.083 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.857 -14.126 -1.570 1.00 0.00 H new ATOM 0 HG SER A 41 14.542 -16.242 -2.464 1.00 0.00 H new ATOM 501 N GLY A 42 11.161 -12.949 -2.987 1.00 0.00 N ATOM 502 CA GLY A 42 9.963 -13.028 -3.803 1.00 0.00 C ATOM 503 C GLY A 42 9.511 -11.669 -4.301 1.00 0.00 C ATOM 504 O GLY A 42 10.173 -10.660 -4.059 1.00 0.00 O ATOM 0 H GLY A 42 11.720 -12.107 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.150 -13.680 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.161 -13.484 -3.223 1.00 0.00 H new ATOM 508 N ALA A 43 8.382 -11.643 -5.001 1.00 0.00 N ATOM 509 CA ALA A 43 7.843 -10.399 -5.535 1.00 0.00 C ATOM 510 C ALA A 43 6.721 -9.863 -4.651 1.00 0.00 C ATOM 511 O ALA A 43 6.196 -10.577 -3.796 1.00 0.00 O ATOM 512 CB ALA A 43 7.343 -10.607 -6.957 1.00 0.00 C ATOM 0 H ALA A 43 7.823 -12.470 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 43 8.645 -9.661 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.943 -9.669 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.168 -10.937 -7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.559 -11.364 -6.960 1.00 0.00 H new ATOM 518 N LEU A 44 6.360 -8.602 -4.861 1.00 0.00 N ATOM 519 CA LEU A 44 5.301 -7.970 -4.083 1.00 0.00 C ATOM 520 C LEU A 44 4.341 -7.205 -4.989 1.00 0.00 C ATOM 521 O LEU A 44 4.751 -6.622 -5.993 1.00 0.00 O ATOM 522 CB LEU A 44 5.901 -7.022 -3.043 1.00 0.00 C ATOM 523 CG LEU A 44 4.950 -5.979 -2.456 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.027 -6.616 -1.428 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.734 -4.832 -1.834 1.00 0.00 C ATOM 0 H LEU A 44 6.785 -7.997 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 44 4.743 -8.755 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.302 -7.620 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.743 -6.501 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 44 4.338 -5.578 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.357 -5.858 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.440 -7.402 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.622 -7.045 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.041 -4.099 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.372 -5.217 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.352 -4.358 -2.597 1.00 0.00 H new ATOM 537 N SER A 45 3.062 -7.211 -4.627 1.00 0.00 N ATOM 538 CA SER A 45 2.043 -6.519 -5.408 1.00 0.00 C ATOM 539 C SER A 45 1.242 -5.562 -4.530 1.00 0.00 C ATOM 540 O SER A 45 0.745 -5.943 -3.470 1.00 0.00 O ATOM 541 CB SER A 45 1.104 -7.530 -6.070 1.00 0.00 C ATOM 542 OG SER A 45 0.010 -6.878 -6.691 1.00 0.00 O ATOM 0 H SER A 45 2.707 -7.687 -3.798 1.00 0.00 H new ATOM 0 HA SER A 45 2.545 -5.939 -6.182 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.654 -8.111 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.736 -8.233 -5.323 1.00 0.00 H new ATOM 0 HG SER A 45 -0.574 -7.545 -7.108 1.00 0.00 H new ATOM 548 N VAL A 46 1.121 -4.318 -4.980 1.00 0.00 N ATOM 549 CA VAL A 46 0.379 -3.305 -4.238 1.00 0.00 C ATOM 550 C VAL A 46 -0.654 -2.620 -5.125 1.00 0.00 C ATOM 551 O VAL A 46 -0.417 -2.392 -6.312 1.00 0.00 O ATOM 552 CB VAL A 46 1.322 -2.239 -3.648 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.532 -1.204 -2.862 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.382 -2.891 -2.773 1.00 0.00 C ATOM 0 H VAL A 46 1.527 -3.987 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.131 -3.819 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 46 1.826 -1.729 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.215 -0.459 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.185 -0.715 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.001 -1.695 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.039 -2.123 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.900 -3.428 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.968 -3.590 -3.370 1.00 0.00 H new ATOM 564 N THR A 47 -1.802 -2.291 -4.541 1.00 0.00 N ATOM 565 CA THR A 47 -2.873 -1.632 -5.278 1.00 0.00 C ATOM 566 C THR A 47 -3.852 -0.948 -4.331 1.00 0.00 C ATOM 567 O THR A 47 -4.136 -1.454 -3.245 1.00 0.00 O ATOM 568 CB THR A 47 -3.644 -2.630 -6.163 1.00 0.00 C ATOM 569 OG1 THR A 47 -3.884 -3.842 -5.438 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.868 -2.938 -7.434 1.00 0.00 C ATOM 0 H THR A 47 -2.014 -2.470 -3.559 1.00 0.00 H new ATOM 0 HA THR A 47 -2.403 -0.882 -5.914 1.00 0.00 H new ATOM 0 HB THR A 47 -4.596 -2.177 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.376 -4.471 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.432 -3.645 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.712 -2.018 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.903 -3.373 -7.175 1.00 0.00 H new ATOM 578 N ILE A 48 -4.366 0.204 -4.750 1.00 0.00 N ATOM 579 CA ILE A 48 -5.315 0.956 -3.938 1.00 0.00 C ATOM 580 C ILE A 48 -6.603 1.226 -4.708 1.00 0.00 C ATOM 581 O ILE A 48 -6.573 1.530 -5.901 1.00 0.00 O ATOM 582 CB ILE A 48 -4.718 2.297 -3.472 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.357 2.072 -2.811 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.670 2.995 -2.512 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.607 3.353 -2.521 1.00 0.00 C ATOM 0 H ILE A 48 -4.141 0.636 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.538 0.344 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.576 2.937 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.501 1.526 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.747 1.442 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.234 3.941 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.619 3.184 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.840 2.360 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.651 3.117 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.432 3.891 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.197 3.976 -1.848 1.00 0.00 H new ATOM 597 N ASP A 49 -7.732 1.115 -4.018 1.00 0.00 N ATOM 598 CA ASP A 49 -9.032 1.351 -4.636 1.00 0.00 C ATOM 599 C ASP A 49 -9.949 2.126 -3.695 1.00 0.00 C ATOM 600 O ASP A 49 -10.456 1.580 -2.716 1.00 0.00 O ATOM 601 CB ASP A 49 -9.685 0.022 -5.023 1.00 0.00 C ATOM 602 CG ASP A 49 -10.603 0.156 -6.222 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.382 1.131 -6.266 1.00 0.00 O ATOM 604 OD2 ASP A 49 -10.543 -0.714 -7.115 1.00 0.00 O ATOM 0 H ASP A 49 -7.774 0.863 -3.030 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.876 1.947 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.908 -0.710 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.253 -0.361 -4.175 1.00 0.00 H new ATOM 609 N GLY A 50 -10.156 3.404 -3.998 1.00 0.00 N ATOM 610 CA GLY A 50 -11.010 4.234 -3.169 1.00 0.00 C ATOM 611 C GLY A 50 -11.970 5.076 -3.986 1.00 0.00 C ATOM 612 O GLY A 50 -12.183 4.836 -5.175 1.00 0.00 O ATOM 0 H GLY A 50 -9.747 3.879 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.577 3.600 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.391 4.888 -2.555 1.00 0.00 H new ATOM 616 N PRO A 51 -12.571 6.088 -3.343 1.00 0.00 N ATOM 617 CA PRO A 51 -13.524 6.988 -3.998 1.00 0.00 C ATOM 618 C PRO A 51 -12.852 7.904 -5.016 1.00 0.00 C ATOM 619 O PRO A 51 -13.524 8.586 -5.790 1.00 0.00 O ATOM 620 CB PRO A 51 -14.095 7.806 -2.838 1.00 0.00 C ATOM 621 CG PRO A 51 -13.035 7.772 -1.792 1.00 0.00 C ATOM 622 CD PRO A 51 -12.364 6.433 -1.926 1.00 0.00 C ATOM 0 HA PRO A 51 -14.278 6.441 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.315 8.828 -3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.027 7.376 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.320 8.583 -1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.464 7.896 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.304 6.488 -1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.810 5.692 -1.263 1.00 0.00 H new ATOM 630 N SER A 52 -11.523 7.913 -5.009 1.00 0.00 N ATOM 631 CA SER A 52 -10.760 8.748 -5.930 1.00 0.00 C ATOM 632 C SER A 52 -9.367 8.170 -6.160 1.00 0.00 C ATOM 633 O SER A 52 -8.529 8.160 -5.259 1.00 0.00 O ATOM 634 CB SER A 52 -10.649 10.174 -5.386 1.00 0.00 C ATOM 635 OG SER A 52 -10.482 11.109 -6.438 1.00 0.00 O ATOM 0 H SER A 52 -10.952 7.352 -4.376 1.00 0.00 H new ATOM 0 HA SER A 52 -11.288 8.770 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.545 10.420 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.805 10.240 -4.699 1.00 0.00 H new ATOM 0 HG SER A 52 -10.415 12.013 -6.065 1.00 0.00 H new ATOM 641 N LYS A 53 -9.128 7.687 -7.375 1.00 0.00 N ATOM 642 CA LYS A 53 -7.837 7.107 -7.728 1.00 0.00 C ATOM 643 C LYS A 53 -6.700 7.843 -7.026 1.00 0.00 C ATOM 644 O LYS A 53 -6.713 9.069 -6.919 1.00 0.00 O ATOM 645 CB LYS A 53 -7.631 7.155 -9.243 1.00 0.00 C ATOM 646 CG LYS A 53 -6.334 6.509 -9.701 1.00 0.00 C ATOM 647 CD LYS A 53 -6.154 6.626 -11.205 1.00 0.00 C ATOM 648 CE LYS A 53 -6.903 5.528 -11.944 1.00 0.00 C ATOM 649 NZ LYS A 53 -6.935 5.770 -13.413 1.00 0.00 N ATOM 0 H LYS A 53 -9.812 7.686 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.831 6.068 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.468 6.656 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.645 8.195 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.492 6.982 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.329 5.458 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.510 7.600 -11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.093 6.573 -11.451 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.429 4.567 -11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.923 5.465 -11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.454 5.000 -13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.410 6.675 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.963 5.805 -13.780 1.00 0.00 H new ATOM 663 N VAL A 54 -5.716 7.086 -6.550 1.00 0.00 N ATOM 664 CA VAL A 54 -4.570 7.667 -5.860 1.00 0.00 C ATOM 665 C VAL A 54 -3.265 7.297 -6.557 1.00 0.00 C ATOM 666 O VAL A 54 -3.083 6.160 -6.990 1.00 0.00 O ATOM 667 CB VAL A 54 -4.505 7.205 -4.392 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.832 7.458 -3.693 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.124 5.734 -4.314 1.00 0.00 C ATOM 0 H VAL A 54 -5.690 6.069 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.699 8.749 -5.886 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.736 7.784 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.767 7.125 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.059 8.524 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.622 6.907 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.083 5.424 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.868 5.137 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.148 5.586 -4.775 1.00 0.00 H new ATOM 679 N GLN A 55 -2.361 8.266 -6.660 1.00 0.00 N ATOM 680 CA GLN A 55 -1.073 8.042 -7.304 1.00 0.00 C ATOM 681 C GLN A 55 -0.063 7.466 -6.317 1.00 0.00 C ATOM 682 O GLN A 55 0.496 8.189 -5.491 1.00 0.00 O ATOM 683 CB GLN A 55 -0.539 9.349 -7.893 1.00 0.00 C ATOM 684 CG GLN A 55 0.487 9.146 -8.995 1.00 0.00 C ATOM 685 CD GLN A 55 0.596 10.342 -9.920 1.00 0.00 C ATOM 686 OE1 GLN A 55 0.242 10.266 -11.097 1.00 0.00 O ATOM 687 NE2 GLN A 55 1.088 11.457 -9.391 1.00 0.00 N ATOM 0 H GLN A 55 -2.497 9.213 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.219 7.321 -8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.374 9.928 -8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.090 9.941 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.461 8.948 -8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.219 8.265 -9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.369 11.476 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.185 12.294 -9.965 1.00 0.00 H new ATOM 696 N LEU A 56 0.165 6.160 -6.406 1.00 0.00 N ATOM 697 CA LEU A 56 1.108 5.486 -5.520 1.00 0.00 C ATOM 698 C LEU A 56 2.501 5.442 -6.139 1.00 0.00 C ATOM 699 O LEU A 56 2.648 5.274 -7.350 1.00 0.00 O ATOM 700 CB LEU A 56 0.626 4.066 -5.217 1.00 0.00 C ATOM 701 CG LEU A 56 0.610 3.096 -6.399 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.963 2.421 -6.554 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.489 2.059 -6.222 1.00 0.00 C ATOM 0 H LEU A 56 -0.290 5.547 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 56 1.163 6.051 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.262 3.647 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.383 4.126 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 56 0.404 3.663 -7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.932 1.734 -7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.729 3.177 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.199 1.867 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.486 1.377 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.314 1.496 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.455 2.560 -6.162 1.00 0.00 H new ATOM 715 N ASP A 57 3.520 5.591 -5.301 1.00 0.00 N ATOM 716 CA ASP A 57 4.903 5.565 -5.765 1.00 0.00 C ATOM 717 C ASP A 57 5.694 4.471 -5.054 1.00 0.00 C ATOM 718 O ASP A 57 5.946 4.555 -3.852 1.00 0.00 O ATOM 719 CB ASP A 57 5.566 6.923 -5.535 1.00 0.00 C ATOM 720 CG ASP A 57 5.402 7.856 -6.718 1.00 0.00 C ATOM 721 OD1 ASP A 57 4.262 8.298 -6.970 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.413 8.143 -7.393 1.00 0.00 O ATOM 0 H ASP A 57 3.415 5.731 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 57 4.898 5.349 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.137 7.388 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.628 6.777 -5.336 1.00 0.00 H new ATOM 727 N CYS A 58 6.081 3.446 -5.805 1.00 0.00 N ATOM 728 CA CYS A 58 6.842 2.334 -5.246 1.00 0.00 C ATOM 729 C CYS A 58 8.300 2.726 -5.032 1.00 0.00 C ATOM 730 O CYS A 58 8.920 3.345 -5.897 1.00 0.00 O ATOM 731 CB CYS A 58 6.759 1.117 -6.169 1.00 0.00 C ATOM 732 SG CYS A 58 6.888 -0.470 -5.312 1.00 0.00 S ATOM 0 H CYS A 58 5.881 3.362 -6.802 1.00 0.00 H new ATOM 0 HA CYS A 58 6.408 2.078 -4.279 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.814 1.149 -6.711 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.554 1.183 -6.911 1.00 0.00 H new ATOM 0 HG CYS A 58 6.805 -1.438 -6.176 1.00 0.00 H new ATOM 738 N ARG A 59 8.841 2.363 -3.874 1.00 0.00 N ATOM 739 CA ARG A 59 10.226 2.680 -3.545 1.00 0.00 C ATOM 740 C ARG A 59 10.875 1.539 -2.766 1.00 0.00 C ATOM 741 O ARG A 59 10.191 0.635 -2.287 1.00 0.00 O ATOM 742 CB ARG A 59 10.296 3.972 -2.729 1.00 0.00 C ATOM 743 CG ARG A 59 10.408 5.226 -3.581 1.00 0.00 C ATOM 744 CD ARG A 59 11.858 5.558 -3.896 1.00 0.00 C ATOM 745 NE ARG A 59 11.973 6.612 -4.899 1.00 0.00 N ATOM 746 CZ ARG A 59 11.874 6.396 -6.206 1.00 0.00 C ATOM 747 NH1 ARG A 59 11.660 5.171 -6.665 1.00 0.00 N ATOM 748 NH2 ARG A 59 11.990 7.408 -7.058 1.00 0.00 N ATOM 0 H ARG A 59 8.342 1.849 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 59 10.772 2.817 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.406 4.046 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.153 3.922 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.856 5.086 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.947 6.064 -3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.365 5.870 -2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.366 4.662 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 59 12.138 7.566 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.571 4.391 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.584 5.009 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.155 8.352 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.914 7.241 -8.061 1.00 0.00 H new ATOM 762 N GLU A 60 12.198 1.588 -2.647 1.00 0.00 N ATOM 763 CA GLU A 60 12.938 0.557 -1.928 1.00 0.00 C ATOM 764 C GLU A 60 13.225 0.994 -0.494 1.00 0.00 C ATOM 765 O GLU A 60 13.389 2.182 -0.217 1.00 0.00 O ATOM 766 CB GLU A 60 14.250 0.244 -2.650 1.00 0.00 C ATOM 767 CG GLU A 60 14.124 -0.857 -3.690 1.00 0.00 C ATOM 768 CD GLU A 60 14.383 -2.236 -3.115 1.00 0.00 C ATOM 769 OE1 GLU A 60 15.218 -2.348 -2.194 1.00 0.00 O ATOM 770 OE2 GLU A 60 13.750 -3.203 -3.587 1.00 0.00 O ATOM 0 H GLU A 60 12.779 2.329 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 60 12.324 -0.343 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.614 1.150 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.000 -0.047 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.124 -0.830 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.827 -0.668 -4.501 1.00 0.00 H new ATOM 777 N CYS A 61 13.284 0.024 0.412 1.00 0.00 N ATOM 778 CA CYS A 61 13.550 0.307 1.818 1.00 0.00 C ATOM 779 C CYS A 61 14.373 -0.810 2.451 1.00 0.00 C ATOM 780 O CYS A 61 14.338 -1.962 2.018 1.00 0.00 O ATOM 781 CB CYS A 61 12.237 0.485 2.581 1.00 0.00 C ATOM 782 SG CYS A 61 11.040 -0.843 2.311 1.00 0.00 S ATOM 0 H CYS A 61 13.151 -0.964 0.198 1.00 0.00 H new ATOM 0 HA CYS A 61 14.123 1.233 1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.455 0.552 3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.785 1.432 2.288 1.00 0.00 H new ATOM 0 HG CYS A 61 9.964 -0.604 3.000 1.00 0.00 H new ATOM 788 N PRO A 62 15.133 -0.464 3.501 1.00 0.00 N ATOM 789 CA PRO A 62 15.980 -1.423 4.215 1.00 0.00 C ATOM 790 C PRO A 62 15.165 -2.434 5.015 1.00 0.00 C ATOM 791 O PRO A 62 15.721 -3.322 5.659 1.00 0.00 O ATOM 792 CB PRO A 62 16.804 -0.538 5.154 1.00 0.00 C ATOM 793 CG PRO A 62 15.968 0.678 5.360 1.00 0.00 C ATOM 794 CD PRO A 62 15.223 0.891 4.071 1.00 0.00 C ATOM 0 HA PRO A 62 16.583 -2.021 3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.007 -1.044 6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.769 -0.285 4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.277 0.540 6.192 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.588 1.542 5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.236 1.321 4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.755 1.572 3.407 1.00 0.00 H new ATOM 802 N GLU A 63 13.844 -2.291 4.968 1.00 0.00 N ATOM 803 CA GLU A 63 12.953 -3.193 5.689 1.00 0.00 C ATOM 804 C GLU A 63 12.160 -4.064 4.719 1.00 0.00 C ATOM 805 O GLU A 63 11.419 -4.955 5.132 1.00 0.00 O ATOM 806 CB GLU A 63 11.995 -2.396 6.577 1.00 0.00 C ATOM 807 CG GLU A 63 12.659 -1.801 7.807 1.00 0.00 C ATOM 808 CD GLU A 63 12.657 -2.751 8.989 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.791 -3.972 8.769 1.00 0.00 O ATOM 810 OE2 GLU A 63 12.521 -2.272 10.134 1.00 0.00 O ATOM 0 H GLU A 63 13.368 -1.560 4.439 1.00 0.00 H new ATOM 0 HA GLU A 63 13.564 -3.842 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.552 -1.592 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.180 -3.047 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.687 -1.530 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.144 -0.881 8.084 1.00 0.00 H new ATOM 817 N GLY A 64 12.320 -3.798 3.426 1.00 0.00 N ATOM 818 CA GLY A 64 11.613 -4.565 2.418 1.00 0.00 C ATOM 819 C GLY A 64 11.109 -3.700 1.280 1.00 0.00 C ATOM 820 O GLY A 64 11.891 -3.233 0.451 1.00 0.00 O ATOM 0 H GLY A 64 12.927 -3.065 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.275 -5.334 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.770 -5.078 2.881 1.00 0.00 H new ATOM 824 N HIS A 65 9.797 -3.487 1.237 1.00 0.00 N ATOM 825 CA HIS A 65 9.189 -2.673 0.190 1.00 0.00 C ATOM 826 C HIS A 65 8.370 -1.536 0.793 1.00 0.00 C ATOM 827 O HIS A 65 7.680 -1.718 1.797 1.00 0.00 O ATOM 828 CB HIS A 65 8.301 -3.537 -0.706 1.00 0.00 C ATOM 829 CG HIS A 65 9.000 -4.740 -1.259 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.325 -4.875 -2.593 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.438 -5.868 -0.651 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.931 -6.034 -2.781 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.012 -6.656 -1.618 1.00 0.00 N ATOM 0 H HIS A 65 9.135 -3.866 1.914 1.00 0.00 H new ATOM 0 HA HIS A 65 9.989 -2.242 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.431 -3.862 -0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.932 -2.929 -1.532 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.352 -6.104 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.298 -6.409 -3.725 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.432 -7.572 -1.464 1.00 0.00 H new ATOM 842 N VAL A 66 8.451 -0.362 0.175 1.00 0.00 N ATOM 843 CA VAL A 66 7.717 0.805 0.651 1.00 0.00 C ATOM 844 C VAL A 66 6.987 1.499 -0.494 1.00 0.00 C ATOM 845 O VAL A 66 7.427 1.455 -1.642 1.00 0.00 O ATOM 846 CB VAL A 66 8.654 1.817 1.336 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.483 2.563 0.301 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.855 2.788 2.192 1.00 0.00 C ATOM 0 H VAL A 66 9.017 -0.194 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 66 6.989 0.446 1.378 1.00 0.00 H new ATOM 0 HB VAL A 66 9.336 1.271 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.139 3.274 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.084 1.852 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.820 3.099 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.533 3.496 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.148 3.330 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.311 2.235 2.958 1.00 0.00 H new ATOM 858 N VAL A 67 5.868 2.140 -0.172 1.00 0.00 N ATOM 859 CA VAL A 67 5.076 2.846 -1.173 1.00 0.00 C ATOM 860 C VAL A 67 4.598 4.194 -0.645 1.00 0.00 C ATOM 861 O VAL A 67 4.367 4.358 0.554 1.00 0.00 O ATOM 862 CB VAL A 67 3.855 2.015 -1.610 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.896 2.866 -2.428 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.298 0.791 -2.396 1.00 0.00 C ATOM 0 H VAL A 67 5.489 2.185 0.774 1.00 0.00 H new ATOM 0 HA VAL A 67 5.724 3.006 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 67 3.330 1.675 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.039 2.262 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.554 3.708 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.407 3.238 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.423 0.215 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.847 1.107 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.943 0.172 -1.772 1.00 0.00 H new ATOM 874 N THR A 68 4.449 5.158 -1.548 1.00 0.00 N ATOM 875 CA THR A 68 3.999 6.493 -1.174 1.00 0.00 C ATOM 876 C THR A 68 2.866 6.964 -2.078 1.00 0.00 C ATOM 877 O THR A 68 3.058 7.163 -3.278 1.00 0.00 O ATOM 878 CB THR A 68 5.151 7.513 -1.239 1.00 0.00 C ATOM 879 OG1 THR A 68 6.353 6.928 -0.727 1.00 0.00 O ATOM 880 CG2 THR A 68 4.811 8.764 -0.443 1.00 0.00 C ATOM 0 H THR A 68 4.634 5.039 -2.544 1.00 0.00 H new ATOM 0 HA THR A 68 3.638 6.429 -0.147 1.00 0.00 H new ATOM 0 HB THR A 68 5.300 7.794 -2.282 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.081 7.582 -0.773 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.639 9.470 -0.503 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.912 9.223 -0.854 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.638 8.496 0.599 1.00 0.00 H new ATOM 888 N TYR A 69 1.686 7.142 -1.495 1.00 0.00 N ATOM 889 CA TYR A 69 0.521 7.589 -2.250 1.00 0.00 C ATOM 890 C TYR A 69 -0.105 8.822 -1.605 1.00 0.00 C ATOM 891 O TYR A 69 0.149 9.125 -0.439 1.00 0.00 O ATOM 892 CB TYR A 69 -0.514 6.467 -2.342 1.00 0.00 C ATOM 893 CG TYR A 69 -1.315 6.275 -1.074 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.333 7.158 -0.732 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.054 5.213 -0.217 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.066 6.988 0.426 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.783 5.035 0.942 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.788 5.924 1.260 1.00 0.00 C ATOM 899 OH TYR A 69 -3.516 5.750 2.414 1.00 0.00 O ATOM 0 H TYR A 69 1.511 6.984 -0.503 1.00 0.00 H new ATOM 0 HA TYR A 69 0.850 7.854 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.197 6.681 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.005 5.534 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.554 7.991 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.267 4.515 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.853 7.684 0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.567 4.203 1.596 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.216 4.936 2.870 1.00 0.00 H new ATOM 909 N THR A 70 -0.928 9.530 -2.374 1.00 0.00 N ATOM 910 CA THR A 70 -1.591 10.730 -1.880 1.00 0.00 C ATOM 911 C THR A 70 -3.098 10.652 -2.092 1.00 0.00 C ATOM 912 O THR A 70 -3.585 10.501 -3.212 1.00 0.00 O ATOM 913 CB THR A 70 -1.052 11.996 -2.573 1.00 0.00 C ATOM 914 OG1 THR A 70 0.372 12.061 -2.435 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.681 13.248 -1.981 1.00 0.00 C ATOM 0 H THR A 70 -1.151 9.292 -3.341 1.00 0.00 H new ATOM 0 HA THR A 70 -1.379 10.791 -0.813 1.00 0.00 H new ATOM 0 HB THR A 70 -1.313 11.943 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.707 12.867 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.284 14.128 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.762 13.210 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.448 13.305 -0.918 1.00 0.00 H new ATOM 923 N PRO A 71 -3.858 10.757 -0.991 1.00 0.00 N ATOM 924 CA PRO A 71 -5.322 10.702 -1.031 1.00 0.00 C ATOM 925 C PRO A 71 -5.931 11.937 -1.688 1.00 0.00 C ATOM 926 O PRO A 71 -5.348 13.020 -1.653 1.00 0.00 O ATOM 927 CB PRO A 71 -5.715 10.634 0.447 1.00 0.00 C ATOM 928 CG PRO A 71 -4.579 11.270 1.171 1.00 0.00 C ATOM 929 CD PRO A 71 -3.345 10.938 0.378 1.00 0.00 C ATOM 0 HA PRO A 71 -5.682 9.859 -1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.649 11.164 0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.863 9.604 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.718 12.349 1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.503 10.889 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.607 11.739 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.860 10.035 0.748 1.00 0.00 H new ATOM 937 N MET A 72 -7.106 11.765 -2.284 1.00 0.00 N ATOM 938 CA MET A 72 -7.793 12.867 -2.947 1.00 0.00 C ATOM 939 C MET A 72 -9.180 13.081 -2.349 1.00 0.00 C ATOM 940 O MET A 72 -9.761 14.158 -2.474 1.00 0.00 O ATOM 941 CB MET A 72 -7.910 12.594 -4.448 1.00 0.00 C ATOM 942 CG MET A 72 -6.609 12.806 -5.207 1.00 0.00 C ATOM 943 SD MET A 72 -6.876 13.321 -6.914 1.00 0.00 S ATOM 944 CE MET A 72 -7.025 11.733 -7.728 1.00 0.00 C ATOM 0 H MET A 72 -7.602 10.874 -2.322 1.00 0.00 H new ATOM 0 HA MET A 72 -7.206 13.773 -2.794 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.245 11.568 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.677 13.244 -4.869 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.012 13.560 -4.693 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.032 11.881 -5.197 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.368 11.880 -8.752 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.055 11.237 -7.738 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.743 11.114 -7.190 1.00 0.00 H new ATOM 954 N ALA A 73 -9.705 12.047 -1.699 1.00 0.00 N ATOM 955 CA ALA A 73 -11.023 12.123 -1.080 1.00 0.00 C ATOM 956 C ALA A 73 -11.100 11.235 0.157 1.00 0.00 C ATOM 957 O ALA A 73 -10.517 10.152 0.211 1.00 0.00 O ATOM 958 CB ALA A 73 -12.100 11.732 -2.081 1.00 0.00 C ATOM 0 H ALA A 73 -9.238 11.147 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.191 13.153 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.079 11.793 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.068 12.410 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.926 10.712 -2.423 1.00 0.00 H new ATOM 964 N PRO A 74 -11.836 11.702 1.176 1.00 0.00 N ATOM 965 CA PRO A 74 -12.007 10.965 2.432 1.00 0.00 C ATOM 966 C PRO A 74 -12.862 9.715 2.259 1.00 0.00 C ATOM 967 O PRO A 74 -14.062 9.802 2.001 1.00 0.00 O ATOM 968 CB PRO A 74 -12.713 11.974 3.342 1.00 0.00 C ATOM 969 CG PRO A 74 -13.422 12.894 2.409 1.00 0.00 C ATOM 970 CD PRO A 74 -12.559 12.985 1.181 1.00 0.00 C ATOM 0 HA PRO A 74 -11.056 10.606 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.412 11.478 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.999 12.514 3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.413 12.512 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.562 13.876 2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.157 13.113 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.875 13.832 1.233 1.00 0.00 H new ATOM 978 N GLY A 75 -12.236 8.550 2.403 1.00 0.00 N ATOM 979 CA GLY A 75 -12.956 7.298 2.259 1.00 0.00 C ATOM 980 C GLY A 75 -12.140 6.105 2.716 1.00 0.00 C ATOM 981 O GLY A 75 -11.128 6.261 3.397 1.00 0.00 O ATOM 0 H GLY A 75 -11.244 8.451 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.880 7.345 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.239 7.163 1.215 1.00 0.00 H new ATOM 985 N ASN A 76 -12.583 4.909 2.340 1.00 0.00 N ATOM 986 CA ASN A 76 -11.887 3.684 2.717 1.00 0.00 C ATOM 987 C ASN A 76 -11.157 3.083 1.520 1.00 0.00 C ATOM 988 O ASN A 76 -11.743 2.343 0.730 1.00 0.00 O ATOM 989 CB ASN A 76 -12.877 2.667 3.289 1.00 0.00 C ATOM 990 CG ASN A 76 -13.784 3.272 4.343 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.365 3.508 5.476 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.034 3.525 3.973 1.00 0.00 N ATOM 0 H ASN A 76 -13.420 4.762 1.775 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.150 3.934 3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.485 2.261 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.326 1.833 3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.691 3.932 4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.337 3.313 3.023 1.00 0.00 H new ATOM 999 N TYR A 77 -9.874 3.405 1.395 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.064 2.898 0.294 1.00 0.00 C ATOM 1001 C TYR A 77 -8.684 1.438 0.524 1.00 0.00 C ATOM 1002 O TYR A 77 -8.061 1.098 1.531 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.801 3.746 0.130 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.081 5.182 -0.250 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.389 6.130 0.718 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.039 5.591 -1.577 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.646 7.443 0.376 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.293 6.903 -1.929 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.597 7.825 -0.949 1.00 0.00 C ATOM 1010 OH TYR A 77 -8.852 9.132 -1.295 1.00 0.00 O ATOM 0 H TYR A 77 -9.373 4.014 2.042 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.657 2.961 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.238 3.729 1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.167 3.294 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.428 5.835 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.804 4.871 -2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.884 8.167 1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.254 7.205 -2.965 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.127 9.633 -0.499 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.062 0.580 -0.417 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.761 -0.844 -0.319 1.00 0.00 C ATOM 1022 C LEU A 78 -7.331 -1.130 -0.765 1.00 0.00 C ATOM 1023 O LEU A 78 -7.041 -1.177 -1.961 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.744 -1.652 -1.168 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.942 -3.112 -0.758 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.690 -3.924 -1.052 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.308 -3.207 0.716 1.00 0.00 C ATOM 0 H LEU A 78 -9.577 0.845 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.862 -1.141 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.713 -1.153 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.403 -1.629 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.763 -3.525 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.850 -4.960 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.472 -3.883 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.849 -3.511 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.445 -4.253 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.508 -2.776 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.233 -2.660 0.897 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.442 -1.323 0.203 1.00 0.00 N ATOM 1040 CA ILE A 79 -5.043 -1.609 -0.090 1.00 0.00 C ATOM 1041 C ILE A 79 -4.794 -3.111 -0.176 1.00 0.00 C ATOM 1042 O ILE A 79 -4.772 -3.805 0.839 1.00 0.00 O ATOM 1043 CB ILE A 79 -4.110 -1.005 0.976 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.229 0.520 0.985 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.671 -1.428 0.721 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.455 1.180 2.104 1.00 0.00 C ATOM 0 H ILE A 79 -6.666 -1.287 1.198 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.823 -1.152 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.410 -1.379 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.875 0.910 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.281 0.794 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.024 -0.993 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.599 -2.515 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.358 -1.079 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.585 2.261 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.824 0.819 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.397 0.937 2.007 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.606 -3.605 -1.395 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.355 -5.024 -1.614 1.00 0.00 C ATOM 1060 C ALA A 80 -2.859 -5.313 -1.683 1.00 0.00 C ATOM 1061 O ALA A 80 -2.162 -4.817 -2.569 1.00 0.00 O ATOM 1062 CB ALA A 80 -5.044 -5.492 -2.887 1.00 0.00 C ATOM 0 H ALA A 80 -4.623 -3.043 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.766 -5.575 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.848 -6.554 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.118 -5.330 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.660 -4.928 -3.737 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.373 -6.117 -0.744 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.959 -6.471 -0.699 1.00 0.00 C ATOM 1070 C ILE A 81 -0.769 -7.982 -0.767 1.00 0.00 C ATOM 1071 O ILE A 81 -1.394 -8.732 -0.017 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.285 -5.936 0.578 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.518 -4.430 0.712 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.204 -6.248 0.561 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.001 -3.852 2.011 1.00 0.00 C ATOM 0 H ILE A 81 -2.937 -6.536 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.490 -6.009 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.730 -6.431 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.034 -3.920 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.586 -4.227 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.667 -5.864 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.349 -7.327 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.665 -5.777 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.200 -2.781 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.503 -4.335 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.073 -4.023 2.083 1.00 0.00 H new ATOM 1087 N LYS A 82 0.100 -8.423 -1.670 1.00 0.00 N ATOM 1088 CA LYS A 82 0.377 -9.845 -1.835 1.00 0.00 C ATOM 1089 C LYS A 82 1.879 -10.111 -1.835 1.00 0.00 C ATOM 1090 O LYS A 82 2.683 -9.179 -1.839 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.242 -10.359 -3.138 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.761 -10.343 -3.137 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.326 -10.998 -4.386 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.743 -10.523 -4.672 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.085 -10.638 -6.117 1.00 0.00 N ATOM 0 H LYS A 82 0.625 -7.816 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.068 -10.376 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.119 -9.750 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.102 -11.378 -3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.131 -10.863 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.115 -9.314 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.686 -10.771 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.322 -12.081 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.449 -11.110 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.849 -9.486 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.058 -10.305 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.428 -10.058 -6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.008 -11.632 -6.414 1.00 0.00 H new ATOM 1109 N TYR A 83 2.249 -11.387 -1.831 1.00 0.00 N ATOM 1110 CA TYR A 83 3.655 -11.774 -1.829 1.00 0.00 C ATOM 1111 C TYR A 83 3.807 -13.274 -2.065 1.00 0.00 C ATOM 1112 O TYR A 83 3.138 -14.085 -1.426 1.00 0.00 O ATOM 1113 CB TYR A 83 4.311 -11.386 -0.503 1.00 0.00 C ATOM 1114 CG TYR A 83 5.809 -11.211 -0.597 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.665 -12.300 -0.483 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.370 -9.956 -0.800 1.00 0.00 C ATOM 1117 CE1 TYR A 83 8.035 -12.145 -0.567 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.739 -9.792 -0.888 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.567 -10.889 -0.770 1.00 0.00 C ATOM 1120 OH TYR A 83 9.931 -10.728 -0.855 1.00 0.00 O ATOM 0 H TYR A 83 1.596 -12.170 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 83 4.153 -11.244 -2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.867 -10.457 -0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.089 -12.152 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.252 -13.285 -0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.725 -9.094 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.685 -13.002 -0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.159 -8.810 -1.048 1.00 0.00 H new ATOM 0 HH TYR A 83 10.199 -10.702 -1.797 1.00 0.00 H new ATOM 1130 N GLY A 84 4.692 -13.635 -2.989 1.00 0.00 N ATOM 1131 CA GLY A 84 4.918 -15.035 -3.294 1.00 0.00 C ATOM 1132 C GLY A 84 3.632 -15.837 -3.322 1.00 0.00 C ATOM 1133 O GLY A 84 3.507 -16.847 -2.631 1.00 0.00 O ATOM 0 H GLY A 84 5.257 -12.982 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.415 -15.117 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.592 -15.461 -2.551 1.00 0.00 H new ATOM 1137 N GLY A 85 2.671 -15.384 -4.122 1.00 0.00 N ATOM 1138 CA GLY A 85 1.400 -16.077 -4.220 1.00 0.00 C ATOM 1139 C GLY A 85 0.251 -15.140 -4.536 1.00 0.00 C ATOM 1140 O GLY A 85 0.229 -13.985 -4.110 1.00 0.00 O ATOM 0 H GLY A 85 2.750 -14.550 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.465 -16.841 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.197 -16.592 -3.281 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.731 -15.638 -5.303 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.905 -14.853 -5.693 1.00 0.00 C ATOM 1146 C PRO A 86 -2.833 -14.572 -4.516 1.00 0.00 C ATOM 1147 O PRO A 86 -3.797 -13.817 -4.641 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.602 -15.746 -6.723 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.171 -17.129 -6.378 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.770 -17.006 -5.846 1.00 0.00 C ATOM 0 HA PRO A 86 -1.629 -13.871 -6.077 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.686 -15.643 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.309 -15.482 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.834 -17.570 -5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.200 -17.777 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.566 -17.750 -5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.028 -17.148 -6.632 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.535 -15.184 -3.375 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.344 -15.000 -2.176 1.00 0.00 C ATOM 1160 C GLN A 87 -2.840 -13.816 -1.356 1.00 0.00 C ATOM 1161 O GLN A 87 -1.646 -13.513 -1.353 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.327 -16.270 -1.323 1.00 0.00 C ATOM 1163 CG GLN A 87 -1.945 -16.640 -0.810 1.00 0.00 C ATOM 1164 CD GLN A 87 -1.174 -17.509 -1.785 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -1.527 -17.607 -2.960 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -0.113 -18.144 -1.301 1.00 0.00 N ATOM 0 H GLN A 87 -1.740 -15.811 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.368 -14.794 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.997 -16.136 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.721 -17.098 -1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.379 -15.730 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.043 -17.165 0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.144 -18.034 -0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.445 -18.742 -1.910 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.757 -13.150 -0.662 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.405 -11.999 0.162 1.00 0.00 C ATOM 1177 C HIS A 88 -2.561 -12.426 1.359 1.00 0.00 C ATOM 1178 O HIS A 88 -2.784 -13.488 1.941 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.668 -11.285 0.643 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.381 -10.534 -0.440 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.512 -9.161 -0.442 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -6.001 -10.972 -1.560 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.184 -8.788 -1.517 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.492 -9.868 -2.212 1.00 0.00 N ATOM 0 H HIS A 88 -4.749 -13.387 -0.654 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.818 -11.312 -0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.349 -12.019 1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.402 -10.591 1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.093 -11.999 -1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.438 -7.772 -1.782 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.010 -9.880 -3.090 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.591 -11.592 1.721 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.715 -11.883 2.848 1.00 0.00 C ATOM 1195 C ILE A 89 -1.469 -11.788 4.170 1.00 0.00 C ATOM 1196 O ILE A 89 -2.549 -11.202 4.240 1.00 0.00 O ATOM 1197 CB ILE A 89 0.490 -10.925 2.887 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.027 -9.502 3.205 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.238 -10.961 1.562 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.125 -8.619 3.758 1.00 0.00 C ATOM 0 H ILE A 89 -1.393 -10.710 1.249 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.354 -12.902 2.711 1.00 0.00 H new ATOM 0 HB ILE A 89 1.170 -11.251 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.372 -9.047 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.790 -9.547 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.087 -10.279 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.595 -11.973 1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.568 -10.657 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.725 -7.625 3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.509 -9.051 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.933 -8.544 3.030 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.891 -12.366 5.218 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.506 -12.343 6.540 1.00 0.00 C ATOM 1214 C VAL A 90 -1.832 -10.918 6.970 1.00 0.00 C ATOM 1215 O VAL A 90 -0.951 -10.167 7.386 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.591 -12.990 7.596 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.832 -12.470 7.461 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.130 -12.735 8.995 1.00 0.00 C ATOM 0 H VAL A 90 0.003 -12.856 5.177 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.429 -12.918 6.469 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.576 -14.067 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.464 -12.939 8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.214 -12.709 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.839 -11.389 7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.471 -13.199 9.729 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.176 -11.661 9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.129 -13.162 9.083 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.106 -10.551 6.867 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.527 -9.216 7.250 1.00 0.00 C ATOM 1230 C GLY A 91 -4.278 -8.505 6.142 1.00 0.00 C ATOM 1231 O GLY A 91 -5.258 -7.805 6.397 1.00 0.00 O ATOM 0 H GLY A 91 -3.854 -11.155 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.162 -9.278 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.652 -8.628 7.527 1.00 0.00 H new ATOM 1235 N SER A 92 -3.817 -8.682 4.908 1.00 0.00 N ATOM 1236 CA SER A 92 -4.449 -8.047 3.757 1.00 0.00 C ATOM 1237 C SER A 92 -5.796 -8.695 3.451 1.00 0.00 C ATOM 1238 O SER A 92 -6.043 -9.857 3.774 1.00 0.00 O ATOM 1239 CB SER A 92 -3.537 -8.139 2.533 1.00 0.00 C ATOM 1240 OG SER A 92 -2.421 -7.275 2.662 1.00 0.00 O ATOM 0 H SER A 92 -3.008 -9.260 4.679 1.00 0.00 H new ATOM 0 HA SER A 92 -4.617 -6.997 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.193 -9.166 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.100 -7.880 1.636 1.00 0.00 H new ATOM 0 HG SER A 92 -2.608 -6.599 3.346 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.690 -7.926 2.813 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.408 -6.541 2.424 1.00 0.00 C ATOM 1248 C PRO A 93 -6.318 -5.608 3.627 1.00 0.00 C ATOM 1249 O PRO A 93 -6.636 -5.995 4.751 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.606 -6.168 1.547 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.705 -7.062 2.006 1.00 0.00 C ATOM 1252 CD PRO A 93 -8.046 -8.348 2.422 1.00 0.00 C ATOM 0 HA PRO A 93 -5.447 -6.447 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.873 -5.118 1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.386 -6.321 0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.249 -6.616 2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.427 -7.234 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.574 -8.821 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.022 -9.070 1.606 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.882 -4.376 3.383 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.749 -3.388 4.447 1.00 0.00 C ATOM 1262 C PHE A 94 -6.682 -2.203 4.208 1.00 0.00 C ATOM 1263 O PHE A 94 -6.518 -1.454 3.246 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.302 -2.901 4.542 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.371 -3.906 5.157 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.363 -4.115 6.527 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.503 -4.641 4.366 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.507 -5.039 7.095 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.644 -5.566 4.929 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.647 -5.766 6.296 1.00 0.00 C ATOM 0 H PHE A 94 -5.615 -4.039 2.458 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.027 -3.864 5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.945 -2.650 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.274 -1.984 5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.033 -3.549 7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.497 -4.489 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.511 -5.193 8.164 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.971 -6.132 4.301 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.978 -6.489 6.739 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.661 -2.042 5.092 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.620 -0.950 4.980 1.00 0.00 C ATOM 1282 C LYS A 95 -8.024 0.354 5.503 1.00 0.00 C ATOM 1283 O LYS A 95 -7.633 0.446 6.666 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.898 -1.285 5.753 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.136 -0.589 5.213 1.00 0.00 C ATOM 1286 CD LYS A 95 -11.589 -1.199 3.897 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.288 -2.533 4.113 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.313 -2.797 3.065 1.00 0.00 N ATOM 0 H LYS A 95 -7.811 -2.654 5.894 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.864 -0.820 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.057 -2.363 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.763 -1.009 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.942 -0.659 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.926 0.471 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.265 -0.511 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.728 -1.340 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.550 -3.335 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.762 -2.540 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.485 -3.820 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.199 -2.313 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.972 -2.442 2.149 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.959 1.359 4.636 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.415 2.658 5.012 1.00 0.00 C ATOM 1304 C ALA A 96 -8.486 3.741 4.952 1.00 0.00 C ATOM 1305 O ALA A 96 -8.956 4.106 3.874 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.244 3.020 4.110 1.00 0.00 C ATOM 0 H ALA A 96 -8.276 1.299 3.668 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.061 2.592 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.847 3.992 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.463 2.266 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.582 3.062 3.074 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.871 4.252 6.117 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.887 5.294 6.198 1.00 0.00 C ATOM 1314 C LYS A 97 -9.247 6.665 6.390 1.00 0.00 C ATOM 1315 O LYS A 97 -8.870 7.034 7.503 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.854 5.004 7.348 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.848 6.124 7.604 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.412 6.058 9.014 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.420 4.928 9.158 1.00 0.00 C ATOM 1320 NZ LYS A 97 -13.975 4.854 10.538 1.00 0.00 N ATOM 0 H LYS A 97 -8.494 3.961 7.019 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.441 5.300 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.401 4.087 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.280 4.824 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.360 7.087 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.662 6.061 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.599 5.915 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.889 7.006 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.233 5.073 8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.942 3.981 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.658 4.072 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.202 4.690 11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.453 5.749 10.768 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.128 7.416 5.300 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.535 8.747 5.350 1.00 0.00 C ATOM 1336 C VAL A 98 -9.524 9.768 5.901 1.00 0.00 C ATOM 1337 O VAL A 98 -10.738 9.606 5.773 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.064 9.205 3.957 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.530 10.627 4.014 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.011 8.252 3.411 1.00 0.00 C ATOM 0 H VAL A 98 -9.434 7.125 4.372 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.673 8.685 6.014 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.919 9.191 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.202 10.933 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.317 11.298 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.687 10.672 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.689 8.591 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.155 8.231 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.434 7.251 3.330 1.00 0.00 H new ATOM 1350 N THR A 99 -8.997 10.823 6.515 1.00 0.00 N ATOM 1351 CA THR A 99 -9.832 11.872 7.086 1.00 0.00 C ATOM 1352 C THR A 99 -9.606 13.202 6.378 1.00 0.00 C ATOM 1353 O THR A 99 -8.632 13.369 5.645 1.00 0.00 O ATOM 1354 CB THR A 99 -9.557 12.051 8.591 1.00 0.00 C ATOM 1355 OG1 THR A 99 -8.327 12.757 8.784 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.490 10.703 9.293 1.00 0.00 C ATOM 0 H THR A 99 -7.995 10.973 6.629 1.00 0.00 H new ATOM 0 HA THR A 99 -10.868 11.562 6.947 1.00 0.00 H new ATOM 0 HB THR A 99 -10.377 12.626 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.160 12.868 9.743 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.295 10.855 10.355 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.439 10.181 9.169 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.688 10.106 8.859 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.512 14.149 6.603 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.393 15.454 5.979 1.00 0.00 C ATOM 1366 C GLY A 100 -11.329 15.620 4.799 1.00 0.00 C ATOM 1367 O GLY A 100 -11.955 14.666 4.336 1.00 0.00 O ATOM 0 H GLY A 100 -11.326 14.036 7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.604 16.227 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.365 15.602 5.647 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.437 16.858 4.293 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.303 17.175 3.154 1.00 0.00 C ATOM 1373 C PRO A 101 -11.785 16.582 1.849 1.00 0.00 C ATOM 1374 O PRO A 101 -10.630 16.166 1.761 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.268 18.705 3.097 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.974 19.078 3.734 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.721 18.043 4.795 1.00 0.00 C ATOM 0 HA PRO A 101 -13.304 16.762 3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.321 19.064 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.112 19.141 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.167 19.090 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.026 20.077 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.656 17.846 4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.101 18.361 5.766 1.00 0.00 H new