USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 682 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 72 LYS NZ :NH3+ -112:sc= 1.08 (180deg=-0.728) USER MOD Set 1.2: A 75 THR OG1 : rot 90:sc= 0.76 USER MOD Set 2.1: A 21 THR OG1 : rot 135:sc= 1.17 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 13 GLN : amide:sc= -0.0575 K(o=-0.057,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.39) USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.119 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00327 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 43 SER OG : rot 63:sc= 1.23 USER MOD Single : A 44 TYR OH : rot 60:sc= -0.203 USER MOD Single : A 45 THR OG1 : rot 148:sc= 0.918 USER MOD Single : A 52 ASN : amide:sc= 0.513 K(o=0.51,f=-0.0098) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 55 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.0044) USER MOD Single : A 58 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.16) USER MOD Single : A 59 ASN : amide:sc= -7.03! C(o=-7!,f=-9.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.959 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 86 SER OG : rot 180:sc= -0.158 USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0466 (180deg=-0.29) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 75:sc= -0.57 USER MOD Single : A 95 SER OG : rot 175:sc= 1.21 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -123:sc= -0.328 USER MOD Single : A 100 THR OG1 : rot -147:sc= -0.0346 USER MOD Single : A 101 MET CE :methyl 171:sc= -0.885 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.323 -14.520 -4.280 1.00 0.00 N ATOM 67 CA PRO A 8 -4.678 -13.987 -4.451 1.00 0.00 C ATOM 68 C PRO A 8 -4.877 -13.338 -5.817 1.00 0.00 C ATOM 69 O PRO A 8 -3.975 -12.685 -6.341 1.00 0.00 O ATOM 70 CB PRO A 8 -4.791 -12.941 -3.340 1.00 0.00 C ATOM 71 CG PRO A 8 -3.387 -12.525 -3.067 1.00 0.00 C ATOM 72 CD PRO A 8 -2.540 -13.746 -3.303 1.00 0.00 C ATOM 0 HA PRO A 8 -5.434 -14.770 -4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.401 -12.094 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.260 -13.359 -2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.087 -11.709 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.278 -12.166 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.557 -13.484 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.378 -14.307 -2.383 1.00 0.00 H new ATOM 80 N SER A 9 -6.064 -13.520 -6.386 1.00 0.00 N ATOM 81 CA SER A 9 -6.380 -12.954 -7.693 1.00 0.00 C ATOM 82 C SER A 9 -7.235 -11.699 -7.548 1.00 0.00 C ATOM 83 O SER A 9 -8.096 -11.422 -8.382 1.00 0.00 O ATOM 84 CB SER A 9 -7.109 -13.986 -8.556 1.00 0.00 C ATOM 85 OG SER A 9 -8.468 -14.104 -8.171 1.00 0.00 O ATOM 0 H SER A 9 -6.823 -14.055 -5.963 1.00 0.00 H new ATOM 0 HA SER A 9 -5.444 -12.680 -8.180 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.049 -13.695 -9.605 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.616 -14.954 -8.465 1.00 0.00 H new ATOM 0 HG SER A 9 -8.912 -14.768 -8.738 1.00 0.00 H new ATOM 91 N GLY A 10 -6.991 -10.943 -6.482 1.00 0.00 N ATOM 92 CA GLY A 10 -7.746 -9.727 -6.247 1.00 0.00 C ATOM 93 C GLY A 10 -7.010 -8.753 -5.348 1.00 0.00 C ATOM 94 O GLY A 10 -6.025 -9.113 -4.704 1.00 0.00 O ATOM 0 H GLY A 10 -6.284 -11.151 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.960 -9.246 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.705 -9.980 -5.795 1.00 0.00 H new ATOM 98 N PHE A 11 -7.489 -7.514 -5.304 1.00 0.00 N ATOM 99 CA PHE A 11 -6.868 -6.483 -4.480 1.00 0.00 C ATOM 100 C PHE A 11 -7.882 -5.874 -3.515 1.00 0.00 C ATOM 101 O PHE A 11 -9.091 -5.899 -3.748 1.00 0.00 O ATOM 102 CB PHE A 11 -6.265 -5.388 -5.362 1.00 0.00 C ATOM 103 CG PHE A 11 -7.187 -4.922 -6.453 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.426 -5.717 -7.562 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.814 -3.690 -6.368 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.273 -5.290 -8.567 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.663 -3.258 -7.370 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.893 -4.060 -8.471 1.00 0.00 C ATOM 0 H PHE A 11 -8.305 -7.200 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.073 -6.949 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.995 -4.537 -4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.343 -5.760 -5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.945 -6.681 -7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.638 -3.059 -5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.450 -5.918 -9.427 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.146 -2.295 -7.292 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.556 -3.726 -9.255 1.00 0.00 H new ATOM 118 N PRO A 12 -7.380 -5.314 -2.405 1.00 0.00 N ATOM 119 CA PRO A 12 -8.223 -4.688 -1.383 1.00 0.00 C ATOM 120 C PRO A 12 -8.857 -3.389 -1.870 1.00 0.00 C ATOM 121 O PRO A 12 -8.652 -2.979 -3.012 1.00 0.00 O ATOM 122 CB PRO A 12 -7.246 -4.410 -0.238 1.00 0.00 C ATOM 123 CG PRO A 12 -5.914 -4.301 -0.895 1.00 0.00 C ATOM 124 CD PRO A 12 -5.949 -5.248 -2.063 1.00 0.00 C ATOM 0 HA PRO A 12 -9.061 -5.325 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.504 -3.491 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.260 -5.214 0.498 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.725 -3.280 -1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.115 -4.565 -0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.353 -4.879 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.553 -6.228 -1.798 1.00 0.00 H new ATOM 132 N GLN A 13 -9.625 -2.747 -0.996 1.00 0.00 N ATOM 133 CA GLN A 13 -10.288 -1.494 -1.338 1.00 0.00 C ATOM 134 C GLN A 13 -10.216 -0.506 -0.179 1.00 0.00 C ATOM 135 O GLN A 13 -9.604 -0.785 0.851 1.00 0.00 O ATOM 136 CB GLN A 13 -11.748 -1.752 -1.714 1.00 0.00 C ATOM 137 CG GLN A 13 -11.963 -3.059 -2.460 1.00 0.00 C ATOM 138 CD GLN A 13 -11.711 -2.930 -3.949 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.347 -1.860 -4.438 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.904 -4.022 -4.679 1.00 0.00 N ATOM 0 H GLN A 13 -9.804 -3.073 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.771 -1.060 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.352 -1.758 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.107 -0.928 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.301 -3.821 -2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.985 -3.402 -2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.206 -4.888 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.750 -3.995 -5.687 1.00 0.00 H new ATOM 149 N ASN A 14 -10.844 0.652 -0.356 1.00 0.00 N ATOM 150 CA ASN A 14 -10.850 1.683 0.676 1.00 0.00 C ATOM 151 C ASN A 14 -9.435 2.177 0.960 1.00 0.00 C ATOM 152 O ASN A 14 -9.141 2.656 2.056 1.00 0.00 O ATOM 153 CB ASN A 14 -11.482 1.145 1.961 1.00 0.00 C ATOM 154 CG ASN A 14 -12.980 1.378 2.011 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.527 1.754 3.048 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.651 1.155 0.887 1.00 0.00 N ATOM 0 H ASN A 14 -11.355 0.900 -1.203 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.442 2.522 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.280 0.077 2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.014 1.624 2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.661 1.295 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.156 0.844 0.051 1.00 0.00 H new ATOM 163 N LEU A 15 -8.562 2.058 -0.035 1.00 0.00 N ATOM 164 CA LEU A 15 -7.177 2.492 0.107 1.00 0.00 C ATOM 165 C LEU A 15 -7.074 4.013 0.039 1.00 0.00 C ATOM 166 O LEU A 15 -7.366 4.620 -0.991 1.00 0.00 O ATOM 167 CB LEU A 15 -6.310 1.862 -0.984 1.00 0.00 C ATOM 168 CG LEU A 15 -4.798 1.972 -0.787 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.366 1.218 0.461 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.061 1.447 -2.011 1.00 0.00 C ATOM 0 H LEU A 15 -8.789 1.665 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.817 2.164 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.570 0.806 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.567 2.325 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.544 3.024 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.287 1.308 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.867 1.639 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.634 0.166 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.986 1.533 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.322 0.401 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.347 2.031 -2.886 1.00 0.00 H new ATOM 182 N HIS A 16 -6.654 4.622 1.144 1.00 0.00 N ATOM 183 CA HIS A 16 -6.509 6.072 1.209 1.00 0.00 C ATOM 184 C HIS A 16 -5.743 6.485 2.462 1.00 0.00 C ATOM 185 O HIS A 16 -5.264 5.639 3.217 1.00 0.00 O ATOM 186 CB HIS A 16 -7.882 6.744 1.192 1.00 0.00 C ATOM 187 CG HIS A 16 -8.819 6.221 2.236 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.928 5.457 1.938 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.806 6.353 3.583 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.558 5.144 3.057 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.897 5.675 4.069 1.00 0.00 N ATOM 0 H HIS A 16 -6.408 4.134 2.006 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.944 6.396 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.754 7.817 1.336 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.333 6.606 0.209 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.074 6.891 4.167 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.460 4.554 3.131 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.155 5.595 5.053 1.00 0.00 H new ATOM 200 N VAL A 17 -5.632 7.792 2.678 1.00 0.00 N ATOM 201 CA VAL A 17 -4.925 8.318 3.839 1.00 0.00 C ATOM 202 C VAL A 17 -5.895 8.935 4.840 1.00 0.00 C ATOM 203 O VAL A 17 -6.683 9.817 4.497 1.00 0.00 O ATOM 204 CB VAL A 17 -3.884 9.377 3.431 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.529 10.460 2.580 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.224 9.978 4.663 1.00 0.00 C ATOM 0 H VAL A 17 -6.023 8.506 2.064 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.412 7.476 4.305 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.112 8.891 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.778 11.199 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.950 10.013 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.322 10.945 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.491 10.724 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.982 10.450 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.725 9.191 5.229 1.00 0.00 H new ATOM 216 N THR A 18 -5.832 8.466 6.083 1.00 0.00 N ATOM 217 CA THR A 18 -6.705 8.971 7.135 1.00 0.00 C ATOM 218 C THR A 18 -6.087 10.178 7.831 1.00 0.00 C ATOM 219 O THR A 18 -6.776 10.933 8.515 1.00 0.00 O ATOM 220 CB THR A 18 -7.005 7.885 8.186 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.953 8.375 9.141 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.732 7.458 8.901 1.00 0.00 C ATOM 0 H THR A 18 -5.185 7.737 6.385 1.00 0.00 H new ATOM 0 HA THR A 18 -7.637 9.270 6.655 1.00 0.00 H new ATOM 0 HB THR A 18 -7.423 7.019 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.958 9.355 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.969 6.691 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.024 7.058 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.290 8.319 9.403 1.00 0.00 H new ATOM 230 N GLY A 19 -4.781 10.354 7.651 1.00 0.00 N ATOM 231 CA GLY A 19 -4.092 11.473 8.268 1.00 0.00 C ATOM 232 C GLY A 19 -2.650 11.587 7.814 1.00 0.00 C ATOM 233 O GLY A 19 -1.731 11.199 8.536 1.00 0.00 O ATOM 0 H GLY A 19 -4.188 9.742 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.619 12.397 8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.121 11.361 9.352 1.00 0.00 H new ATOM 237 N LEU A 20 -2.451 12.120 6.613 1.00 0.00 N ATOM 238 CA LEU A 20 -1.111 12.284 6.061 1.00 0.00 C ATOM 239 C LEU A 20 -0.314 13.310 6.861 1.00 0.00 C ATOM 240 O LEU A 20 -0.861 14.008 7.716 1.00 0.00 O ATOM 241 CB LEU A 20 -1.190 12.712 4.595 1.00 0.00 C ATOM 242 CG LEU A 20 -1.237 14.219 4.338 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.481 14.501 2.864 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.312 14.873 5.193 1.00 0.00 C ATOM 0 H LEU A 20 -3.201 12.446 6.003 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.599 11.324 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.328 12.301 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.078 12.260 4.153 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.273 14.646 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.511 15.578 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.675 14.066 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.431 14.061 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.331 15.945 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.283 14.442 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.093 14.701 6.247 1.00 0.00 H new ATOM 256 N THR A 21 0.981 13.399 6.576 1.00 0.00 N ATOM 257 CA THR A 21 1.853 14.341 7.267 1.00 0.00 C ATOM 258 C THR A 21 2.896 14.921 6.319 1.00 0.00 C ATOM 259 O THR A 21 3.199 14.337 5.278 1.00 0.00 O ATOM 260 CB THR A 21 2.571 13.674 8.455 1.00 0.00 C ATOM 261 OG1 THR A 21 1.677 12.779 9.128 1.00 0.00 O ATOM 262 CG2 THR A 21 3.082 14.719 9.435 1.00 0.00 C ATOM 0 H THR A 21 1.450 12.830 5.871 1.00 0.00 H new ATOM 0 HA THR A 21 1.218 15.144 7.640 1.00 0.00 H new ATOM 0 HB THR A 21 3.423 13.114 8.068 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.140 11.937 9.320 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.585 14.224 10.265 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.784 15.381 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.243 15.302 9.815 1.00 0.00 H new ATOM 270 N THR A 22 3.444 16.076 6.685 1.00 0.00 N ATOM 271 CA THR A 22 4.454 16.736 5.867 1.00 0.00 C ATOM 272 C THR A 22 5.595 15.785 5.527 1.00 0.00 C ATOM 273 O THR A 22 6.079 15.759 4.396 1.00 0.00 O ATOM 274 CB THR A 22 5.029 17.977 6.577 1.00 0.00 C ATOM 275 OG1 THR A 22 5.615 17.598 7.827 1.00 0.00 O ATOM 276 CG2 THR A 22 3.943 19.016 6.814 1.00 0.00 C ATOM 0 H THR A 22 3.205 16.574 7.543 1.00 0.00 H new ATOM 0 HA THR A 22 3.960 17.049 4.947 1.00 0.00 H new ATOM 0 HB THR A 22 5.794 18.414 5.935 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.980 18.392 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.372 19.883 7.316 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.519 19.324 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.159 18.587 7.438 1.00 0.00 H new ATOM 284 N SER A 23 6.020 15.002 6.514 1.00 0.00 N ATOM 285 CA SER A 23 7.108 14.050 6.320 1.00 0.00 C ATOM 286 C SER A 23 6.569 12.627 6.203 1.00 0.00 C ATOM 287 O SER A 23 7.023 11.846 5.366 1.00 0.00 O ATOM 288 CB SER A 23 8.103 14.137 7.479 1.00 0.00 C ATOM 289 OG SER A 23 7.469 13.866 8.717 1.00 0.00 O ATOM 0 H SER A 23 5.628 15.008 7.456 1.00 0.00 H new ATOM 0 HA SER A 23 7.620 14.304 5.392 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.915 13.427 7.320 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.549 15.131 7.505 1.00 0.00 H new ATOM 0 HG SER A 23 8.126 13.926 9.441 1.00 0.00 H new ATOM 295 N THR A 24 5.598 12.297 7.049 1.00 0.00 N ATOM 296 CA THR A 24 4.998 10.969 7.042 1.00 0.00 C ATOM 297 C THR A 24 3.647 10.980 6.336 1.00 0.00 C ATOM 298 O THR A 24 3.144 12.036 5.951 1.00 0.00 O ATOM 299 CB THR A 24 4.813 10.429 8.473 1.00 0.00 C ATOM 300 OG1 THR A 24 3.702 11.079 9.101 1.00 0.00 O ATOM 301 CG2 THR A 24 6.070 10.648 9.301 1.00 0.00 C ATOM 0 H THR A 24 5.211 12.931 7.748 1.00 0.00 H new ATOM 0 HA THR A 24 5.682 10.315 6.501 1.00 0.00 H new ATOM 0 HB THR A 24 4.620 9.358 8.412 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.590 10.730 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.915 10.259 10.307 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.907 10.128 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.289 11.714 9.354 1.00 0.00 H new ATOM 309 N THR A 25 3.062 9.797 6.169 1.00 0.00 N ATOM 310 CA THR A 25 1.769 9.671 5.509 1.00 0.00 C ATOM 311 C THR A 25 1.011 8.450 6.015 1.00 0.00 C ATOM 312 O THR A 25 1.419 7.313 5.779 1.00 0.00 O ATOM 313 CB THR A 25 1.927 9.566 3.980 1.00 0.00 C ATOM 314 OG1 THR A 25 2.149 10.865 3.420 1.00 0.00 O ATOM 315 CG2 THR A 25 0.692 8.940 3.350 1.00 0.00 C ATOM 0 H THR A 25 3.464 8.913 6.482 1.00 0.00 H new ATOM 0 HA THR A 25 1.203 10.571 5.747 1.00 0.00 H new ATOM 0 HB THR A 25 2.786 8.929 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.250 10.789 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.827 8.876 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.543 7.940 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.181 9.555 3.571 1.00 0.00 H new ATOM 323 N GLU A 26 -0.095 8.692 6.711 1.00 0.00 N ATOM 324 CA GLU A 26 -0.911 7.610 7.251 1.00 0.00 C ATOM 325 C GLU A 26 -1.743 6.956 6.152 1.00 0.00 C ATOM 326 O GLU A 26 -2.031 7.573 5.125 1.00 0.00 O ATOM 327 CB GLU A 26 -1.829 8.136 8.356 1.00 0.00 C ATOM 328 CG GLU A 26 -1.116 8.372 9.678 1.00 0.00 C ATOM 329 CD GLU A 26 -2.078 8.635 10.820 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.637 9.750 10.880 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.273 7.725 11.654 1.00 0.00 O ATOM 0 H GLU A 26 -0.447 9.627 6.914 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.242 6.860 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.283 9.070 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.640 7.425 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.504 7.502 9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.439 9.220 9.575 1.00 0.00 H new ATOM 338 N LEU A 27 -2.126 5.704 6.374 1.00 0.00 N ATOM 339 CA LEU A 27 -2.925 4.964 5.403 1.00 0.00 C ATOM 340 C LEU A 27 -4.031 4.175 6.096 1.00 0.00 C ATOM 341 O LEU A 27 -3.995 3.971 7.309 1.00 0.00 O ATOM 342 CB LEU A 27 -2.035 4.016 4.597 1.00 0.00 C ATOM 343 CG LEU A 27 -0.844 4.658 3.885 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.053 3.590 3.277 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.321 5.628 2.814 1.00 0.00 C ATOM 0 H LEU A 27 -1.896 5.179 7.218 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.386 5.683 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.659 3.244 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.653 3.516 3.851 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.264 5.216 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.895 4.065 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.424 2.934 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.516 3.004 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.459 6.075 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.924 5.093 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.922 6.412 3.275 1.00 0.00 H new ATOM 357 N ALA A 28 -5.012 3.732 5.317 1.00 0.00 N ATOM 358 CA ALA A 28 -6.126 2.962 5.855 1.00 0.00 C ATOM 359 C ALA A 28 -6.943 2.323 4.737 1.00 0.00 C ATOM 360 O ALA A 28 -7.629 3.014 3.984 1.00 0.00 O ATOM 361 CB ALA A 28 -7.012 3.847 6.719 1.00 0.00 C ATOM 0 H ALA A 28 -5.058 3.893 4.311 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.717 2.163 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.840 3.258 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.427 4.251 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.404 4.667 6.117 1.00 0.00 H new ATOM 367 N TRP A 29 -6.864 1.001 4.634 1.00 0.00 N ATOM 368 CA TRP A 29 -7.596 0.270 3.606 1.00 0.00 C ATOM 369 C TRP A 29 -8.365 -0.899 4.213 1.00 0.00 C ATOM 370 O TRP A 29 -8.373 -1.083 5.430 1.00 0.00 O ATOM 371 CB TRP A 29 -6.635 -0.239 2.531 1.00 0.00 C ATOM 372 CG TRP A 29 -5.611 -1.199 3.056 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.719 -2.559 3.120 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.324 -0.871 3.591 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.577 -3.096 3.664 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.706 -2.082 3.960 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.633 0.327 3.792 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.431 -2.126 4.519 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.369 0.281 4.348 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.778 -0.938 4.705 1.00 0.00 C ATOM 0 H TRP A 29 -6.301 0.414 5.249 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.312 0.953 3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.208 -0.726 1.742 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.126 0.611 2.077 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.576 -3.129 2.791 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.406 -4.089 3.822 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.079 1.272 3.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.974 -3.065 4.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.827 1.201 4.510 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.788 -0.940 5.135 1.00 0.00 H new ATOM 391 N ASP A 30 -9.008 -1.686 3.358 1.00 0.00 N ATOM 392 CA ASP A 30 -9.779 -2.838 3.810 1.00 0.00 C ATOM 393 C ASP A 30 -9.356 -4.101 3.065 1.00 0.00 C ATOM 394 O ASP A 30 -8.724 -4.046 2.010 1.00 0.00 O ATOM 395 CB ASP A 30 -11.274 -2.589 3.610 1.00 0.00 C ATOM 396 CG ASP A 30 -11.928 -1.977 4.833 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.305 -2.006 5.915 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.063 -1.471 4.709 1.00 0.00 O ATOM 0 H ASP A 30 -9.011 -1.547 2.347 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.582 -2.981 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.418 -1.928 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.767 -3.531 3.371 1.00 0.00 H new ATOM 403 N PRO A 31 -9.712 -5.266 3.626 1.00 0.00 N ATOM 404 CA PRO A 31 -9.380 -6.564 3.031 1.00 0.00 C ATOM 405 C PRO A 31 -10.160 -6.831 1.748 1.00 0.00 C ATOM 406 O PRO A 31 -11.172 -6.191 1.464 1.00 0.00 O ATOM 407 CB PRO A 31 -9.781 -7.565 4.118 1.00 0.00 C ATOM 408 CG PRO A 31 -10.832 -6.865 4.909 1.00 0.00 C ATOM 409 CD PRO A 31 -10.467 -5.406 4.882 1.00 0.00 C ATOM 0 HA PRO A 31 -8.330 -6.623 2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.162 -8.489 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.929 -7.834 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.819 -7.028 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.865 -7.240 5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.352 -4.770 4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.864 -5.127 5.746 1.00 0.00 H new ATOM 417 N PRO A 32 -9.680 -7.799 0.953 1.00 0.00 N ATOM 418 CA PRO A 32 -10.317 -8.173 -0.312 1.00 0.00 C ATOM 419 C PRO A 32 -11.655 -8.874 -0.103 1.00 0.00 C ATOM 420 O PRO A 32 -11.813 -9.668 0.825 1.00 0.00 O ATOM 421 CB PRO A 32 -9.307 -9.130 -0.950 1.00 0.00 C ATOM 422 CG PRO A 32 -8.545 -9.695 0.198 1.00 0.00 C ATOM 423 CD PRO A 32 -8.477 -8.603 1.229 1.00 0.00 C ATOM 0 HA PRO A 32 -10.545 -7.301 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.808 -9.914 -1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.649 -8.607 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.041 -10.579 0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.546 -10.003 -0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.486 -9.005 2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.567 -8.012 1.129 1.00 0.00 H new ATOM 560 N ILE A 41 -5.586 -14.430 4.146 1.00 0.00 N ATOM 561 CA ILE A 41 -4.625 -13.333 4.152 1.00 0.00 C ATOM 562 C ILE A 41 -3.648 -13.465 5.315 1.00 0.00 C ATOM 563 O ILE A 41 -4.010 -13.938 6.393 1.00 0.00 O ATOM 564 CB ILE A 41 -5.331 -11.967 4.240 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.541 -11.932 3.305 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.360 -10.846 3.901 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.255 -12.487 1.927 1.00 0.00 C ATOM 0 HA ILE A 41 -4.076 -13.388 3.212 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.681 -11.821 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.355 -12.501 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.886 -10.903 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.874 -9.887 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.527 -10.861 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.982 -10.986 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.157 -12.431 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.463 -11.904 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.939 -13.527 2.012 1.00 0.00 H new ATOM 579 N ILE A 42 -2.409 -13.041 5.090 1.00 0.00 N ATOM 580 CA ILE A 42 -1.381 -13.108 6.121 1.00 0.00 C ATOM 581 C ILE A 42 -0.792 -11.729 6.401 1.00 0.00 C ATOM 582 O ILE A 42 -0.455 -11.407 7.540 1.00 0.00 O ATOM 583 CB ILE A 42 -0.244 -14.067 5.721 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.230 -13.765 4.298 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.706 -15.512 5.835 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.498 -14.496 3.915 1.00 0.00 C ATOM 0 H ILE A 42 -2.093 -12.648 4.204 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.863 -13.485 7.023 1.00 0.00 H new ATOM 0 HB ILE A 42 0.594 -13.918 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.560 -14.033 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.395 -12.692 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.108 -16.178 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.000 -15.720 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.557 -15.675 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.775 -14.234 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.302 -14.210 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.332 -15.571 3.982 1.00 0.00 H new ATOM 598 N SER A 43 -0.673 -10.919 5.354 1.00 0.00 N ATOM 599 CA SER A 43 -0.123 -9.575 5.487 1.00 0.00 C ATOM 600 C SER A 43 -0.215 -8.818 4.165 1.00 0.00 C ATOM 601 O SER A 43 -0.463 -9.409 3.114 1.00 0.00 O ATOM 602 CB SER A 43 1.334 -9.640 5.950 1.00 0.00 C ATOM 603 OG SER A 43 1.421 -9.619 7.364 1.00 0.00 O ATOM 0 H SER A 43 -0.950 -11.170 4.405 1.00 0.00 H new ATOM 0 HA SER A 43 -0.710 -9.041 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.800 -10.548 5.567 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.888 -8.798 5.536 1.00 0.00 H new ATOM 0 HG SER A 43 0.987 -10.417 7.730 1.00 0.00 H new ATOM 609 N TYR A 44 -0.013 -7.506 4.227 1.00 0.00 N ATOM 610 CA TYR A 44 -0.076 -6.666 3.037 1.00 0.00 C ATOM 611 C TYR A 44 1.240 -5.924 2.825 1.00 0.00 C ATOM 612 O TYR A 44 2.010 -5.719 3.764 1.00 0.00 O ATOM 613 CB TYR A 44 -1.226 -5.665 3.154 1.00 0.00 C ATOM 614 CG TYR A 44 -2.589 -6.315 3.234 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.939 -7.111 4.318 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.528 -6.133 2.225 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.182 -7.707 4.395 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.774 -6.725 2.294 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.097 -7.511 3.381 1.00 0.00 C ATOM 620 OH TYR A 44 -6.337 -8.102 3.454 1.00 0.00 O ATOM 0 H TYR A 44 0.196 -7.002 5.089 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.252 -7.311 2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.073 -5.051 4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.202 -4.995 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.226 -7.266 5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.279 -5.518 1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.437 -8.323 5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.492 -6.573 1.501 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.802 -7.789 4.258 1.00 0.00 H new ATOM 630 N THR A 45 1.491 -5.521 1.583 1.00 0.00 N ATOM 631 CA THR A 45 2.713 -4.802 1.245 1.00 0.00 C ATOM 632 C THR A 45 2.401 -3.399 0.736 1.00 0.00 C ATOM 633 O THR A 45 1.889 -3.229 -0.371 1.00 0.00 O ATOM 634 CB THR A 45 3.530 -5.553 0.178 1.00 0.00 C ATOM 635 OG1 THR A 45 3.887 -6.854 0.660 1.00 0.00 O ATOM 636 CG2 THR A 45 4.788 -4.779 -0.186 1.00 0.00 C ATOM 0 H THR A 45 0.864 -5.681 0.795 1.00 0.00 H new ATOM 0 HA THR A 45 3.302 -4.732 2.159 1.00 0.00 H new ATOM 0 HB THR A 45 2.913 -5.653 -0.715 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.923 -7.483 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.348 -5.330 -0.941 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.512 -3.801 -0.580 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.406 -4.651 0.703 1.00 0.00 H new ATOM 644 N VAL A 46 2.715 -2.396 1.549 1.00 0.00 N ATOM 645 CA VAL A 46 2.471 -1.007 1.180 1.00 0.00 C ATOM 646 C VAL A 46 3.632 -0.441 0.371 1.00 0.00 C ATOM 647 O VAL A 46 4.683 -0.111 0.920 1.00 0.00 O ATOM 648 CB VAL A 46 2.248 -0.126 2.424 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.155 1.340 2.030 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.999 -0.567 3.172 1.00 0.00 C ATOM 0 H VAL A 46 3.139 -2.520 2.468 1.00 0.00 H new ATOM 0 HA VAL A 46 1.568 -0.996 0.570 1.00 0.00 H new ATOM 0 HB VAL A 46 3.103 -0.244 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.997 1.947 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.081 1.645 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.320 1.480 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.857 0.066 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.132 -0.480 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.111 -1.604 3.488 1.00 0.00 H new ATOM 660 N VAL A 47 3.435 -0.330 -0.939 1.00 0.00 N ATOM 661 CA VAL A 47 4.466 0.198 -1.825 1.00 0.00 C ATOM 662 C VAL A 47 4.276 1.693 -2.059 1.00 0.00 C ATOM 663 O VAL A 47 3.318 2.114 -2.707 1.00 0.00 O ATOM 664 CB VAL A 47 4.464 -0.527 -3.184 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.759 -0.260 -3.935 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.249 -2.021 -2.990 1.00 0.00 C ATOM 0 H VAL A 47 2.571 -0.599 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 47 5.424 0.028 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 47 3.640 -0.138 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.738 -0.781 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.866 0.811 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.602 -0.619 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.250 -2.518 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.051 -2.427 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.291 -2.190 -2.497 1.00 0.00 H new ATOM 676 N PHE A 48 5.197 2.490 -1.528 1.00 0.00 N ATOM 677 CA PHE A 48 5.132 3.939 -1.679 1.00 0.00 C ATOM 678 C PHE A 48 6.364 4.467 -2.409 1.00 0.00 C ATOM 679 O PHE A 48 7.495 4.113 -2.075 1.00 0.00 O ATOM 680 CB PHE A 48 5.011 4.611 -0.309 1.00 0.00 C ATOM 681 CG PHE A 48 6.144 4.285 0.621 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.276 3.013 1.155 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.079 5.250 0.959 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.318 2.711 2.011 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.124 4.953 1.815 1.00 0.00 C ATOM 686 CZ PHE A 48 8.244 3.682 2.341 1.00 0.00 C ATOM 0 H PHE A 48 5.997 2.157 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 48 4.250 4.177 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.964 5.691 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.072 4.307 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.557 2.249 0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.991 6.245 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.409 1.716 2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.845 5.715 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.060 3.447 3.009 1.00 0.00 H new ATOM 696 N ARG A 49 6.135 5.314 -3.407 1.00 0.00 N ATOM 697 CA ARG A 49 7.225 5.889 -4.186 1.00 0.00 C ATOM 698 C ARG A 49 6.844 7.267 -4.720 1.00 0.00 C ATOM 699 O ARG A 49 5.696 7.501 -5.099 1.00 0.00 O ATOM 700 CB ARG A 49 7.593 4.964 -5.347 1.00 0.00 C ATOM 701 CG ARG A 49 8.530 5.601 -6.360 1.00 0.00 C ATOM 702 CD ARG A 49 8.420 4.931 -7.721 1.00 0.00 C ATOM 703 NE ARG A 49 7.037 4.859 -8.184 1.00 0.00 N ATOM 704 CZ ARG A 49 6.664 4.223 -9.290 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.567 3.607 -10.040 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.386 4.201 -9.646 1.00 0.00 N ATOM 0 H ARG A 49 5.205 5.617 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 49 8.089 5.999 -3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.060 4.063 -4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.681 4.652 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.297 6.662 -6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.557 5.531 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.017 5.483 -8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.837 3.925 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 49 6.318 5.322 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.550 3.620 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.279 3.120 -10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.688 4.673 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.101 3.713 -10.495 1.00 0.00 H new ATOM 720 N ASP A 50 7.814 8.174 -4.746 1.00 0.00 N ATOM 721 CA ASP A 50 7.580 9.528 -5.234 1.00 0.00 C ATOM 722 C ASP A 50 7.534 9.556 -6.758 1.00 0.00 C ATOM 723 O ASP A 50 8.564 9.440 -7.423 1.00 0.00 O ATOM 724 CB ASP A 50 8.673 10.471 -4.727 1.00 0.00 C ATOM 725 CG ASP A 50 8.653 11.813 -5.433 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.547 12.333 -5.687 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.744 12.343 -5.732 1.00 0.00 O ATOM 0 H ASP A 50 8.769 7.996 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 50 6.615 9.864 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.547 10.626 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.647 10.003 -4.869 1.00 0.00 H new ATOM 732 N ILE A 51 6.333 9.710 -7.306 1.00 0.00 N ATOM 733 CA ILE A 51 6.153 9.753 -8.752 1.00 0.00 C ATOM 734 C ILE A 51 7.087 10.774 -9.392 1.00 0.00 C ATOM 735 O ILE A 51 7.308 10.754 -10.602 1.00 0.00 O ATOM 736 CB ILE A 51 4.699 10.096 -9.128 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.318 11.471 -8.575 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.751 9.027 -8.606 1.00 0.00 C ATOM 739 CD1 ILE A 51 3.063 12.044 -9.197 1.00 0.00 C ATOM 0 H ILE A 51 5.470 9.807 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 51 6.392 8.759 -9.130 1.00 0.00 H new ATOM 0 HB ILE A 51 4.617 10.127 -10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.177 11.394 -7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.144 12.162 -8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.727 9.283 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.013 8.063 -9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.832 8.967 -7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.852 13.019 -8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.207 12.153 -10.272 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.225 11.373 -9.009 1.00 0.00 H new ATOM 751 N ASN A 52 7.633 11.665 -8.570 1.00 0.00 N ATOM 752 CA ASN A 52 8.544 12.694 -9.056 1.00 0.00 C ATOM 753 C ASN A 52 9.987 12.200 -9.028 1.00 0.00 C ATOM 754 O ASN A 52 10.827 12.659 -9.804 1.00 0.00 O ATOM 755 CB ASN A 52 8.412 13.963 -8.211 1.00 0.00 C ATOM 756 CG ASN A 52 7.023 14.568 -8.290 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.762 15.445 -9.114 1.00 0.00 O ATOM 758 ND2 ASN A 52 6.125 14.101 -7.432 1.00 0.00 N ATOM 0 H ASN A 52 7.460 11.695 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 52 8.276 12.923 -10.088 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.646 13.730 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.145 14.697 -8.546 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.174 14.470 -7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.386 13.373 -6.766 1.00 0.00 H new ATOM 765 N SER A 53 10.268 11.261 -8.131 1.00 0.00 N ATOM 766 CA SER A 53 11.610 10.706 -7.999 1.00 0.00 C ATOM 767 C SER A 53 11.649 9.258 -8.478 1.00 0.00 C ATOM 768 O SER A 53 10.622 8.689 -8.848 1.00 0.00 O ATOM 769 CB SER A 53 12.078 10.787 -6.545 1.00 0.00 C ATOM 770 OG SER A 53 12.752 12.008 -6.292 1.00 0.00 O ATOM 0 H SER A 53 9.584 10.868 -7.484 1.00 0.00 H new ATOM 0 HA SER A 53 12.283 11.295 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.220 10.697 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.741 9.950 -6.326 1.00 0.00 H new ATOM 0 HG SER A 53 13.039 12.035 -5.355 1.00 0.00 H new ATOM 776 N GLN A 54 12.841 8.670 -8.469 1.00 0.00 N ATOM 777 CA GLN A 54 13.014 7.289 -8.903 1.00 0.00 C ATOM 778 C GLN A 54 13.370 6.388 -7.725 1.00 0.00 C ATOM 779 O GLN A 54 13.948 5.317 -7.904 1.00 0.00 O ATOM 780 CB GLN A 54 14.102 7.201 -9.975 1.00 0.00 C ATOM 781 CG GLN A 54 13.636 7.646 -11.352 1.00 0.00 C ATOM 782 CD GLN A 54 14.746 7.609 -12.383 1.00 0.00 C ATOM 783 OE1 GLN A 54 15.929 7.595 -12.039 1.00 0.00 O ATOM 784 NE2 GLN A 54 14.371 7.593 -13.657 1.00 0.00 N ATOM 0 H GLN A 54 13.701 9.128 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 54 12.069 6.947 -9.326 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.950 7.815 -9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.458 6.173 -10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.819 7.004 -11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.239 8.659 -11.287 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.380 7.606 -13.897 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.074 7.568 -14.395 1.00 0.00 H new ATOM 793 N GLN A 55 13.023 6.832 -6.521 1.00 0.00 N ATOM 794 CA GLN A 55 13.308 6.065 -5.314 1.00 0.00 C ATOM 795 C GLN A 55 12.078 5.285 -4.861 1.00 0.00 C ATOM 796 O GLN A 55 11.172 5.841 -4.243 1.00 0.00 O ATOM 797 CB GLN A 55 13.777 6.995 -4.193 1.00 0.00 C ATOM 798 CG GLN A 55 14.023 6.282 -2.874 1.00 0.00 C ATOM 799 CD GLN A 55 15.206 5.335 -2.933 1.00 0.00 C ATOM 800 OE1 GLN A 55 16.327 5.701 -2.579 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.962 4.110 -3.383 1.00 0.00 N ATOM 0 H GLN A 55 12.545 7.718 -6.356 1.00 0.00 H new ATOM 0 HA GLN A 55 14.102 5.354 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.696 7.492 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.029 7.774 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.194 7.022 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.129 5.724 -2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.017 3.849 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.719 3.430 -3.446 1.00 0.00 H new ATOM 810 N GLU A 56 12.055 3.993 -5.174 1.00 0.00 N ATOM 811 CA GLU A 56 10.936 3.137 -4.800 1.00 0.00 C ATOM 812 C GLU A 56 11.127 2.573 -3.395 1.00 0.00 C ATOM 813 O GLU A 56 12.251 2.298 -2.972 1.00 0.00 O ATOM 814 CB GLU A 56 10.783 1.992 -5.804 1.00 0.00 C ATOM 815 CG GLU A 56 9.634 1.051 -5.483 1.00 0.00 C ATOM 816 CD GLU A 56 10.056 -0.103 -4.595 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.015 0.054 -3.357 1.00 0.00 O ATOM 818 OE2 GLU A 56 10.426 -1.165 -5.139 1.00 0.00 O ATOM 0 H GLU A 56 12.798 3.517 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 56 10.030 3.743 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.632 2.410 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.711 1.421 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.838 1.610 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.221 0.658 -6.412 1.00 0.00 H new ATOM 825 N LEU A 57 10.023 2.405 -2.676 1.00 0.00 N ATOM 826 CA LEU A 57 10.068 1.875 -1.317 1.00 0.00 C ATOM 827 C LEU A 57 8.811 1.069 -1.006 1.00 0.00 C ATOM 828 O LEU A 57 7.745 1.325 -1.564 1.00 0.00 O ATOM 829 CB LEU A 57 10.220 3.015 -0.309 1.00 0.00 C ATOM 830 CG LEU A 57 11.370 3.989 -0.565 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.104 5.322 0.118 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.688 3.397 -0.087 1.00 0.00 C ATOM 0 H LEU A 57 9.086 2.628 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 57 10.930 1.213 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.289 3.581 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.352 2.581 0.682 1.00 0.00 H new ATOM 0 HG LEU A 57 11.441 4.162 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.934 6.002 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.182 5.753 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.005 5.167 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.495 4.104 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.629 3.193 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.885 2.469 -0.623 1.00 0.00 H new ATOM 844 N GLN A 58 8.945 0.097 -0.109 1.00 0.00 N ATOM 845 CA GLN A 58 7.819 -0.745 0.278 1.00 0.00 C ATOM 846 C GLN A 58 7.872 -1.074 1.766 1.00 0.00 C ATOM 847 O GLN A 58 8.929 -1.001 2.391 1.00 0.00 O ATOM 848 CB GLN A 58 7.815 -2.036 -0.542 1.00 0.00 C ATOM 849 CG GLN A 58 7.551 -1.816 -2.023 1.00 0.00 C ATOM 850 CD GLN A 58 8.105 -2.931 -2.887 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.366 -3.591 -3.619 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.413 -3.148 -2.807 1.00 0.00 N ATOM 0 H GLN A 58 9.821 -0.127 0.363 1.00 0.00 H new ATOM 0 HA GLN A 58 6.900 -0.194 0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.777 -2.535 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.056 -2.708 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.477 -1.733 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.995 -0.869 -2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.988 -2.577 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.843 -3.886 -3.365 1.00 0.00 H new ATOM 861 N ASN A 59 6.723 -1.436 2.328 1.00 0.00 N ATOM 862 CA ASN A 59 6.638 -1.776 3.743 1.00 0.00 C ATOM 863 C ASN A 59 5.775 -3.016 3.955 1.00 0.00 C ATOM 864 O ASN A 59 5.141 -3.510 3.022 1.00 0.00 O ATOM 865 CB ASN A 59 6.064 -0.601 4.537 1.00 0.00 C ATOM 866 CG ASN A 59 7.098 0.475 4.808 1.00 0.00 C ATOM 867 OD1 ASN A 59 6.858 1.658 4.566 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.257 0.067 5.311 1.00 0.00 N ATOM 0 H ASN A 59 5.838 -1.501 1.825 1.00 0.00 H new ATOM 0 HA ASN A 59 7.645 -1.991 4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.229 -0.168 3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.667 -0.966 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.992 0.745 5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.412 -0.924 5.496 1.00 0.00 H new ATOM 875 N ILE A 60 5.757 -3.515 5.186 1.00 0.00 N ATOM 876 CA ILE A 60 4.971 -4.696 5.520 1.00 0.00 C ATOM 877 C ILE A 60 4.355 -4.572 6.909 1.00 0.00 C ATOM 878 O ILE A 60 5.029 -4.194 7.869 1.00 0.00 O ATOM 879 CB ILE A 60 5.826 -5.976 5.462 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.532 -6.083 4.108 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.962 -7.202 5.714 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.534 -7.214 4.037 1.00 0.00 C ATOM 0 H ILE A 60 6.278 -3.120 5.969 1.00 0.00 H new ATOM 0 HA ILE A 60 4.176 -4.766 4.778 1.00 0.00 H new ATOM 0 HB ILE A 60 6.585 -5.924 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.784 -6.221 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.042 -5.143 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.581 -8.098 5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.502 -7.127 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.183 -7.261 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.995 -7.230 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.303 -7.067 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.026 -8.162 4.215 1.00 0.00 H new ATOM 894 N THR A 61 3.070 -4.895 7.012 1.00 0.00 N ATOM 895 CA THR A 61 2.362 -4.821 8.284 1.00 0.00 C ATOM 896 C THR A 61 1.247 -5.858 8.354 1.00 0.00 C ATOM 897 O THR A 61 0.598 -6.156 7.351 1.00 0.00 O ATOM 898 CB THR A 61 1.761 -3.421 8.512 1.00 0.00 C ATOM 899 OG1 THR A 61 0.997 -3.407 9.723 1.00 0.00 O ATOM 900 CG2 THR A 61 0.876 -3.015 7.343 1.00 0.00 C ATOM 0 H THR A 61 2.498 -5.211 6.229 1.00 0.00 H new ATOM 0 HA THR A 61 3.094 -5.026 9.065 1.00 0.00 H new ATOM 0 HB THR A 61 2.580 -2.707 8.592 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.620 -2.513 9.862 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.463 -2.023 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.467 -2.998 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.063 -3.733 7.236 1.00 0.00 H new ATOM 908 N THR A 62 1.028 -6.405 9.546 1.00 0.00 N ATOM 909 CA THR A 62 -0.009 -7.409 9.747 1.00 0.00 C ATOM 910 C THR A 62 -1.375 -6.759 9.933 1.00 0.00 C ATOM 911 O THR A 62 -2.304 -7.381 10.450 1.00 0.00 O ATOM 912 CB THR A 62 0.297 -8.295 10.969 1.00 0.00 C ATOM 913 OG1 THR A 62 0.804 -7.493 12.041 1.00 0.00 O ATOM 914 CG2 THR A 62 1.307 -9.376 10.616 1.00 0.00 C ATOM 0 H THR A 62 1.555 -6.169 10.387 1.00 0.00 H new ATOM 0 HA THR A 62 -0.025 -8.031 8.852 1.00 0.00 H new ATOM 0 HB THR A 62 -0.630 -8.775 11.282 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.994 -8.064 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.507 -9.988 11.495 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.905 -10.003 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.234 -8.912 10.279 1.00 0.00 H new ATOM 922 N ASP A 63 -1.492 -5.506 9.508 1.00 0.00 N ATOM 923 CA ASP A 63 -2.746 -4.772 9.627 1.00 0.00 C ATOM 924 C ASP A 63 -3.170 -4.200 8.278 1.00 0.00 C ATOM 925 O ASP A 63 -2.360 -4.082 7.358 1.00 0.00 O ATOM 926 CB ASP A 63 -2.608 -3.646 10.652 1.00 0.00 C ATOM 927 CG ASP A 63 -2.899 -4.110 12.066 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.907 -4.821 12.261 1.00 0.00 O ATOM 929 OD2 ASP A 63 -2.118 -3.764 12.976 1.00 0.00 O ATOM 0 H ASP A 63 -0.733 -4.977 9.078 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.515 -5.467 9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.598 -3.240 10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.289 -2.836 10.391 1.00 0.00 H new ATOM 934 N THR A 64 -4.447 -3.845 8.166 1.00 0.00 N ATOM 935 CA THR A 64 -4.980 -3.287 6.930 1.00 0.00 C ATOM 936 C THR A 64 -4.649 -1.804 6.808 1.00 0.00 C ATOM 937 O THR A 64 -5.251 -1.087 6.008 1.00 0.00 O ATOM 938 CB THR A 64 -6.507 -3.470 6.843 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.090 -3.340 8.145 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.857 -4.829 6.258 1.00 0.00 C ATOM 0 H THR A 64 -5.131 -3.934 8.917 1.00 0.00 H new ATOM 0 HA THR A 64 -4.510 -3.830 6.110 1.00 0.00 H new ATOM 0 HB THR A 64 -6.907 -2.697 6.187 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.061 -3.456 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.941 -4.935 6.207 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.436 -4.913 5.256 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.445 -5.615 6.891 1.00 0.00 H new ATOM 948 N ARG A 65 -3.688 -1.349 7.606 1.00 0.00 N ATOM 949 CA ARG A 65 -3.278 0.050 7.588 1.00 0.00 C ATOM 950 C ARG A 65 -1.762 0.173 7.703 1.00 0.00 C ATOM 951 O ARG A 65 -1.066 -0.810 7.958 1.00 0.00 O ATOM 952 CB ARG A 65 -3.951 0.816 8.729 1.00 0.00 C ATOM 953 CG ARG A 65 -3.461 0.407 10.109 1.00 0.00 C ATOM 954 CD ARG A 65 -2.280 1.255 10.554 1.00 0.00 C ATOM 955 NE ARG A 65 -1.720 0.792 11.820 1.00 0.00 N ATOM 956 CZ ARG A 65 -2.282 1.024 13.001 1.00 0.00 C ATOM 957 NH1 ARG A 65 -3.414 1.711 13.077 1.00 0.00 N ATOM 958 NH2 ARG A 65 -1.712 0.570 14.110 1.00 0.00 N ATOM 0 H ARG A 65 -3.179 -1.929 8.273 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.589 0.482 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.776 1.883 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.028 0.660 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.273 0.506 10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.172 -0.644 10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.507 1.232 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.597 2.293 10.656 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.849 0.261 11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.855 2.063 12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.843 1.888 13.985 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.841 0.042 14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.145 0.749 15.016 1.00 0.00 H new ATOM 972 N PHE A 66 -1.256 1.387 7.514 1.00 0.00 N ATOM 973 CA PHE A 66 0.178 1.639 7.595 1.00 0.00 C ATOM 974 C PHE A 66 0.470 3.137 7.567 1.00 0.00 C ATOM 975 O PHE A 66 -0.406 3.947 7.260 1.00 0.00 O ATOM 976 CB PHE A 66 0.906 0.945 6.441 1.00 0.00 C ATOM 977 CG PHE A 66 2.401 0.959 6.581 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.052 -0.025 7.307 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.156 1.957 5.986 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.428 -0.015 7.437 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.532 1.972 6.112 1.00 0.00 C ATOM 982 CZ PHE A 66 5.169 0.985 6.839 1.00 0.00 C ATOM 0 H PHE A 66 -1.818 2.212 7.304 1.00 0.00 H new ATOM 0 HA PHE A 66 0.539 1.233 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.565 -0.088 6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.632 1.431 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.477 -0.809 7.777 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.663 2.732 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.923 -0.788 8.006 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.109 2.755 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.244 0.996 6.939 1.00 0.00 H new ATOM 992 N THR A 67 1.707 3.499 7.890 1.00 0.00 N ATOM 993 CA THR A 67 2.115 4.898 7.905 1.00 0.00 C ATOM 994 C THR A 67 3.515 5.069 7.326 1.00 0.00 C ATOM 995 O THR A 67 4.493 4.564 7.880 1.00 0.00 O ATOM 996 CB THR A 67 2.088 5.477 9.332 1.00 0.00 C ATOM 997 OG1 THR A 67 0.797 5.274 9.918 1.00 0.00 O ATOM 998 CG2 THR A 67 2.417 6.962 9.320 1.00 0.00 C ATOM 0 H THR A 67 2.444 2.842 8.145 1.00 0.00 H new ATOM 0 HA THR A 67 1.400 5.441 7.287 1.00 0.00 H new ATOM 0 HB THR A 67 2.842 4.959 9.925 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.788 5.643 10.826 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.392 7.349 10.339 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.412 7.111 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.684 7.492 8.713 1.00 0.00 H new ATOM 1006 N LEU A 68 3.606 5.783 6.210 1.00 0.00 N ATOM 1007 CA LEU A 68 4.888 6.021 5.556 1.00 0.00 C ATOM 1008 C LEU A 68 5.751 6.972 6.379 1.00 0.00 C ATOM 1009 O LEU A 68 5.287 7.561 7.355 1.00 0.00 O ATOM 1010 CB LEU A 68 4.670 6.595 4.155 1.00 0.00 C ATOM 1011 CG LEU A 68 4.013 5.658 3.140 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.339 4.208 3.463 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.507 5.874 3.112 1.00 0.00 C ATOM 0 H LEU A 68 2.807 6.207 5.739 1.00 0.00 H new ATOM 0 HA LEU A 68 5.408 5.067 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.056 7.491 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.636 6.908 3.758 1.00 0.00 H new ATOM 0 HG LEU A 68 4.412 5.887 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.863 3.556 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.419 4.062 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.969 3.965 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.056 5.199 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.092 5.673 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.292 6.905 2.832 1.00 0.00 H new ATOM 1025 N THR A 69 7.009 7.119 5.977 1.00 0.00 N ATOM 1026 CA THR A 69 7.937 8.000 6.676 1.00 0.00 C ATOM 1027 C THR A 69 9.074 8.439 5.760 1.00 0.00 C ATOM 1028 O THR A 69 9.257 7.890 4.674 1.00 0.00 O ATOM 1029 CB THR A 69 8.532 7.315 7.920 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.311 6.179 7.529 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.431 6.876 8.875 1.00 0.00 C ATOM 0 H THR A 69 7.409 6.639 5.171 1.00 0.00 H new ATOM 0 HA THR A 69 7.367 8.875 6.989 1.00 0.00 H new ATOM 0 HB THR A 69 9.171 8.034 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.687 5.750 8.326 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.876 6.395 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.858 7.746 9.194 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.770 6.172 8.369 1.00 0.00 H new ATOM 1039 N GLY A 70 9.836 9.433 6.205 1.00 0.00 N ATOM 1040 CA GLY A 70 10.946 9.929 5.413 1.00 0.00 C ATOM 1041 C GLY A 70 10.513 10.401 4.040 1.00 0.00 C ATOM 1042 O GLY A 70 11.163 10.100 3.038 1.00 0.00 O ATOM 0 H GLY A 70 9.704 9.904 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.426 10.752 5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.692 9.141 5.305 1.00 0.00 H new ATOM 1046 N LEU A 71 9.411 11.142 3.990 1.00 0.00 N ATOM 1047 CA LEU A 71 8.890 11.656 2.728 1.00 0.00 C ATOM 1048 C LEU A 71 9.007 13.175 2.669 1.00 0.00 C ATOM 1049 O LEU A 71 9.127 13.840 3.698 1.00 0.00 O ATOM 1050 CB LEU A 71 7.430 11.238 2.549 1.00 0.00 C ATOM 1051 CG LEU A 71 7.069 9.833 3.035 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.561 9.687 3.172 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.624 8.782 2.086 1.00 0.00 C ATOM 0 H LEU A 71 8.861 11.400 4.809 1.00 0.00 H new ATOM 0 HA LEU A 71 9.485 11.233 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.800 11.956 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.180 11.310 1.491 1.00 0.00 H new ATOM 0 HG LEU A 71 7.519 9.682 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.323 8.681 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.189 10.416 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.089 9.858 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.358 7.789 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.203 8.931 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.709 8.872 2.038 1.00 0.00 H new ATOM 1065 N LYS A 72 8.969 13.720 1.458 1.00 0.00 N ATOM 1066 CA LYS A 72 9.067 15.161 1.263 1.00 0.00 C ATOM 1067 C LYS A 72 7.685 15.807 1.278 1.00 0.00 C ATOM 1068 O LYS A 72 6.722 15.283 0.718 1.00 0.00 O ATOM 1069 CB LYS A 72 9.771 15.471 -0.060 1.00 0.00 C ATOM 1070 CG LYS A 72 10.359 16.871 -0.123 1.00 0.00 C ATOM 1071 CD LYS A 72 11.212 17.062 -1.365 1.00 0.00 C ATOM 1072 CE LYS A 72 10.368 17.454 -2.567 1.00 0.00 C ATOM 1073 NZ LYS A 72 9.888 16.263 -3.322 1.00 0.00 N ATOM 0 H LYS A 72 8.871 13.184 0.596 1.00 0.00 H new ATOM 0 HA LYS A 72 9.652 15.574 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.568 14.744 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.061 15.347 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.554 17.605 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.963 17.053 0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.961 17.832 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.751 16.140 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.512 18.041 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.954 18.092 -3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.352 16.232 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.119 15.399 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.858 16.325 -3.450 1.00 0.00 H new ATOM 1087 N PRO A 73 7.583 16.974 1.933 1.00 0.00 N ATOM 1088 CA PRO A 73 6.324 17.717 2.034 1.00 0.00 C ATOM 1089 C PRO A 73 5.895 18.317 0.700 1.00 0.00 C ATOM 1090 O PRO A 73 6.733 18.710 -0.113 1.00 0.00 O ATOM 1091 CB PRO A 73 6.647 18.826 3.039 1.00 0.00 C ATOM 1092 CG PRO A 73 8.122 19.013 2.936 1.00 0.00 C ATOM 1093 CD PRO A 73 8.690 17.657 2.623 1.00 0.00 C ATOM 0 HA PRO A 73 5.496 17.076 2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.114 19.746 2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.354 18.542 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.371 19.730 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.532 19.402 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.575 17.728 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.987 17.127 3.528 1.00 0.00 H new ATOM 1101 N ASP A 74 4.587 18.384 0.479 1.00 0.00 N ATOM 1102 CA ASP A 74 4.047 18.937 -0.757 1.00 0.00 C ATOM 1103 C ASP A 74 4.583 18.183 -1.970 1.00 0.00 C ATOM 1104 O ASP A 74 4.987 18.789 -2.963 1.00 0.00 O ATOM 1105 CB ASP A 74 4.393 20.422 -0.870 1.00 0.00 C ATOM 1106 CG ASP A 74 3.875 21.042 -2.153 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.755 20.684 -2.575 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.590 21.884 -2.736 1.00 0.00 O ATOM 0 H ASP A 74 3.881 18.062 1.140 1.00 0.00 H new ATOM 0 HA ASP A 74 2.963 18.825 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.974 20.956 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.475 20.545 -0.822 1.00 0.00 H new ATOM 1113 N THR A 75 4.587 16.856 -1.882 1.00 0.00 N ATOM 1114 CA THR A 75 5.075 16.019 -2.970 1.00 0.00 C ATOM 1115 C THR A 75 4.226 14.763 -3.122 1.00 0.00 C ATOM 1116 O THR A 75 3.989 14.039 -2.154 1.00 0.00 O ATOM 1117 CB THR A 75 6.543 15.609 -2.747 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.402 16.739 -2.935 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.945 14.495 -3.702 1.00 0.00 C ATOM 0 H THR A 75 4.257 16.338 -1.067 1.00 0.00 H new ATOM 0 HA THR A 75 5.005 16.613 -3.881 1.00 0.00 H new ATOM 0 HB THR A 75 6.643 15.244 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.519 17.207 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.986 14.222 -3.526 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.309 13.626 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.829 14.838 -4.730 1.00 0.00 H new ATOM 1127 N THR A 76 3.768 14.508 -4.344 1.00 0.00 N ATOM 1128 CA THR A 76 2.943 13.339 -4.622 1.00 0.00 C ATOM 1129 C THR A 76 3.721 12.049 -4.386 1.00 0.00 C ATOM 1130 O THR A 76 4.844 11.893 -4.865 1.00 0.00 O ATOM 1131 CB THR A 76 2.422 13.352 -6.072 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.772 14.598 -6.347 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.451 12.205 -6.307 1.00 0.00 C ATOM 0 H THR A 76 3.955 15.096 -5.157 1.00 0.00 H new ATOM 0 HA THR A 76 2.095 13.380 -3.938 1.00 0.00 H new ATOM 0 HB THR A 76 3.273 13.231 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.445 14.600 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.096 12.234 -7.337 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.957 11.257 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.603 12.301 -5.628 1.00 0.00 H new ATOM 1141 N TYR A 77 3.116 11.127 -3.645 1.00 0.00 N ATOM 1142 CA TYR A 77 3.753 9.850 -3.344 1.00 0.00 C ATOM 1143 C TYR A 77 2.855 8.685 -3.747 1.00 0.00 C ATOM 1144 O TYR A 77 1.833 8.425 -3.112 1.00 0.00 O ATOM 1145 CB TYR A 77 4.084 9.761 -1.853 1.00 0.00 C ATOM 1146 CG TYR A 77 5.445 10.318 -1.500 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.579 9.518 -1.554 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.596 11.643 -1.112 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.825 10.022 -1.233 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.837 12.156 -0.790 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.949 11.342 -0.851 1.00 0.00 C ATOM 1152 OH TYR A 77 9.187 11.848 -0.530 1.00 0.00 O ATOM 0 H TYR A 77 2.186 11.240 -3.242 1.00 0.00 H new ATOM 0 HA TYR A 77 4.677 9.789 -3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.323 10.299 -1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.035 8.718 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.485 8.484 -1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.728 12.283 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.697 9.386 -1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.936 13.189 -0.492 1.00 0.00 H new ATOM 0 HH TYR A 77 9.403 12.590 -1.132 1.00 0.00 H new ATOM 1162 N ASP A 78 3.245 7.986 -4.808 1.00 0.00 N ATOM 1163 CA ASP A 78 2.478 6.847 -5.297 1.00 0.00 C ATOM 1164 C ASP A 78 2.492 5.707 -4.283 1.00 0.00 C ATOM 1165 O ASP A 78 3.446 4.931 -4.221 1.00 0.00 O ATOM 1166 CB ASP A 78 3.040 6.363 -6.635 1.00 0.00 C ATOM 1167 CG ASP A 78 2.405 5.065 -7.094 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.499 4.064 -6.353 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.813 5.051 -8.193 1.00 0.00 O ATOM 0 H ASP A 78 4.088 8.189 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 78 1.447 7.169 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.879 7.130 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.117 6.225 -6.545 1.00 0.00 H new ATOM 1174 N ILE A 79 1.429 5.613 -3.492 1.00 0.00 N ATOM 1175 CA ILE A 79 1.319 4.568 -2.481 1.00 0.00 C ATOM 1176 C ILE A 79 0.235 3.561 -2.848 1.00 0.00 C ATOM 1177 O ILE A 79 -0.894 3.935 -3.166 1.00 0.00 O ATOM 1178 CB ILE A 79 1.008 5.158 -1.093 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.012 6.260 -0.747 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.029 4.064 -0.036 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.436 7.346 0.135 1.00 0.00 C ATOM 0 H ILE A 79 0.631 6.248 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 79 2.284 4.062 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 79 0.010 5.596 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.871 5.814 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.379 6.709 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.807 4.496 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.280 3.310 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.015 3.600 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.203 8.093 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.595 7.819 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.095 6.910 1.074 1.00 0.00 H new ATOM 1193 N LYS A 80 0.584 2.280 -2.799 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.359 1.216 -3.123 1.00 0.00 C ATOM 1195 C LYS A 80 -0.311 0.109 -2.074 1.00 0.00 C ATOM 1196 O LYS A 80 0.401 0.216 -1.076 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.052 0.637 -4.506 1.00 0.00 C ATOM 1198 CG LYS A 80 1.432 0.572 -4.822 1.00 0.00 C ATOM 1199 CD LYS A 80 1.695 0.760 -6.307 1.00 0.00 C ATOM 1200 CE LYS A 80 1.562 -0.551 -7.067 1.00 0.00 C ATOM 1201 NZ LYS A 80 2.243 -0.497 -8.390 1.00 0.00 N ATOM 0 H LYS A 80 1.514 1.953 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.362 1.643 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.473 -0.366 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.550 1.243 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.959 1.342 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.832 -0.389 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.994 1.489 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.696 1.166 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.987 -1.360 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.506 -0.782 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.072 -1.384 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.868 0.301 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.266 -0.370 -8.249 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.072 -0.955 -2.309 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.114 -2.083 -1.386 1.00 0.00 C ATOM 1217 C VAL A 81 -1.459 -3.377 -2.115 1.00 0.00 C ATOM 1218 O VAL A 81 -1.926 -3.355 -3.254 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.142 -1.851 -0.262 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.506 -2.388 -0.666 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.669 -2.494 1.033 1.00 0.00 C ATOM 0 H VAL A 81 -1.668 -1.060 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.120 -2.170 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.236 -0.778 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.219 -2.215 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.846 -1.877 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.432 -3.458 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.407 -2.320 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.545 -3.566 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.716 -2.057 1.329 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.226 -4.504 -1.450 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.512 -5.809 -2.035 1.00 0.00 C ATOM 1233 C ARG A 82 -1.633 -6.876 -0.951 1.00 0.00 C ATOM 1234 O ARG A 82 -0.916 -6.845 0.048 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.414 -6.198 -3.027 1.00 0.00 C ATOM 1236 CG ARG A 82 0.877 -6.645 -2.363 1.00 0.00 C ATOM 1237 CD ARG A 82 1.698 -7.535 -3.283 1.00 0.00 C ATOM 1238 NE ARG A 82 2.615 -6.763 -4.117 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.730 -7.261 -4.639 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.064 -8.525 -4.415 1.00 0.00 N ATOM 1241 NH2 ARG A 82 4.513 -6.495 -5.388 1.00 0.00 N ATOM 0 H ARG A 82 -0.840 -4.540 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.463 -5.742 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.781 -7.002 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.204 -5.347 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.464 -5.771 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.647 -7.184 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.265 -8.249 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.029 -8.113 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 82 2.387 -5.788 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.464 -9.117 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.921 -8.905 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.259 -5.523 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.369 -6.878 -5.788 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.548 -7.819 -1.156 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.762 -8.895 -0.198 1.00 0.00 C ATOM 1257 C ALA A 83 -1.843 -10.078 -0.485 1.00 0.00 C ATOM 1258 O ALA A 83 -1.573 -10.399 -1.642 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.218 -9.339 -0.220 1.00 0.00 C ATOM 0 H ALA A 83 -3.152 -7.858 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.523 -8.516 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.364 -10.144 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.859 -8.497 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.475 -9.695 -1.218 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.364 -10.719 0.575 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.473 -11.866 0.436 1.00 0.00 C ATOM 1267 C TRP A 84 -1.101 -13.119 1.035 1.00 0.00 C ATOM 1268 O TRP A 84 -1.829 -13.048 2.026 1.00 0.00 O ATOM 1269 CB TRP A 84 0.869 -11.580 1.111 1.00 0.00 C ATOM 1270 CG TRP A 84 1.686 -10.547 0.396 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.389 -9.221 0.255 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.931 -10.755 -0.278 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.376 -8.592 -0.466 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.334 -9.511 -0.804 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.747 -11.870 -0.487 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.515 -9.355 -1.525 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.919 -11.714 -1.203 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.294 -10.464 -1.714 1.00 0.00 C ATOM 0 H TRP A 84 -1.577 -10.465 1.539 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.307 -12.039 -0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.690 -11.247 2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.441 -12.506 1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.508 -8.738 0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.392 -7.602 -0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.467 -12.837 -0.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.806 -8.393 -1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.556 -12.569 -1.371 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.217 -10.374 -2.268 1.00 0.00 H new ATOM 1289 N THR A 85 -0.816 -14.267 0.429 1.00 0.00 N ATOM 1290 CA THR A 85 -1.353 -15.536 0.903 1.00 0.00 C ATOM 1291 C THR A 85 -0.235 -16.493 1.300 1.00 0.00 C ATOM 1292 O THR A 85 0.913 -16.326 0.888 1.00 0.00 O ATOM 1293 CB THR A 85 -2.233 -16.208 -0.168 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.579 -16.161 -1.440 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.588 -15.523 -0.263 1.00 0.00 C ATOM 0 H THR A 85 -0.216 -14.344 -0.392 1.00 0.00 H new ATOM 0 HA THR A 85 -1.964 -15.314 1.778 1.00 0.00 H new ATOM 0 HB THR A 85 -2.389 -17.247 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.144 -16.592 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.192 -16.015 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.096 -15.587 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.448 -14.476 -0.531 1.00 0.00 H new ATOM 1303 N SER A 86 -0.578 -17.497 2.101 1.00 0.00 N ATOM 1304 CA SER A 86 0.398 -18.480 2.556 1.00 0.00 C ATOM 1305 C SER A 86 1.238 -18.992 1.389 1.00 0.00 C ATOM 1306 O SER A 86 2.341 -19.504 1.580 1.00 0.00 O ATOM 1307 CB SER A 86 -0.307 -19.651 3.243 1.00 0.00 C ATOM 1308 OG SER A 86 -1.126 -20.361 2.329 1.00 0.00 O ATOM 0 H SER A 86 -1.525 -17.651 2.448 1.00 0.00 H new ATOM 0 HA SER A 86 1.060 -17.993 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.435 -20.325 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.915 -19.280 4.068 1.00 0.00 H new ATOM 0 HG SER A 86 -1.564 -21.105 2.792 1.00 0.00 H new ATOM 1314 N LYS A 87 0.708 -18.849 0.179 1.00 0.00 N ATOM 1315 CA LYS A 87 1.406 -19.294 -1.021 1.00 0.00 C ATOM 1316 C LYS A 87 2.390 -18.233 -1.503 1.00 0.00 C ATOM 1317 O LYS A 87 3.595 -18.472 -1.565 1.00 0.00 O ATOM 1318 CB LYS A 87 0.403 -19.617 -2.130 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.391 -20.887 -1.881 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.677 -20.602 -1.124 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.619 -21.796 -1.154 1.00 0.00 C ATOM 1322 NZ LYS A 87 -3.156 -22.044 -2.521 1.00 0.00 N ATOM 0 H LYS A 87 -0.204 -18.428 0.004 1.00 0.00 H new ATOM 0 HA LYS A 87 1.965 -20.196 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.289 -18.781 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.937 -19.712 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.626 -21.363 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.217 -21.592 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.443 -20.348 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.173 -19.735 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.092 -22.684 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.446 -21.624 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.003 -22.645 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.407 -21.138 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.434 -22.523 -3.096 1.00 0.00 H new ATOM 1336 N GLY A 88 1.867 -17.058 -1.843 1.00 0.00 N ATOM 1337 CA GLY A 88 2.713 -15.978 -2.314 1.00 0.00 C ATOM 1338 C GLY A 88 2.005 -14.638 -2.298 1.00 0.00 C ATOM 1339 O GLY A 88 1.376 -14.272 -1.305 1.00 0.00 O ATOM 0 H GLY A 88 0.872 -16.836 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.605 -15.921 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.046 -16.197 -3.328 1.00 0.00 H new ATOM 1343 N SER A 89 2.109 -13.902 -3.401 1.00 0.00 N ATOM 1344 CA SER A 89 1.478 -12.592 -3.508 1.00 0.00 C ATOM 1345 C SER A 89 0.506 -12.552 -4.683 1.00 0.00 C ATOM 1346 O SER A 89 0.419 -13.499 -5.464 1.00 0.00 O ATOM 1347 CB SER A 89 2.539 -11.503 -3.673 1.00 0.00 C ATOM 1348 OG SER A 89 3.324 -11.727 -4.831 1.00 0.00 O ATOM 0 H SER A 89 2.624 -14.191 -4.232 1.00 0.00 H new ATOM 0 HA SER A 89 0.920 -12.409 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.056 -10.528 -3.740 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.182 -11.481 -2.793 1.00 0.00 H new ATOM 0 HG SER A 89 3.994 -11.016 -4.915 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.225 -11.448 -4.802 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.182 -11.304 -5.883 1.00 0.00 C ATOM 1356 C GLY A 90 -1.009 -10.002 -6.641 1.00 0.00 C ATOM 1357 O GLY A 90 0.105 -9.516 -6.836 1.00 0.00 O ATOM 0 H GLY A 90 -0.171 -10.650 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.074 -12.140 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.193 -11.354 -5.478 1.00 0.00 H new ATOM 1361 N PRO A 91 -2.131 -9.417 -7.084 1.00 0.00 N ATOM 1362 CA PRO A 91 -2.125 -8.157 -7.833 1.00 0.00 C ATOM 1363 C PRO A 91 -1.732 -6.968 -6.963 1.00 0.00 C ATOM 1364 O PRO A 91 -1.579 -7.098 -5.748 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.574 -8.018 -8.307 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.371 -8.798 -7.319 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.494 -9.941 -6.888 1.00 0.00 C ATOM 0 HA PRO A 91 -1.397 -8.169 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.885 -6.973 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.700 -8.411 -9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.651 -8.178 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.296 -9.163 -7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.673 -10.216 -5.849 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.672 -10.833 -7.489 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.571 -5.809 -7.592 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.196 -4.595 -6.875 1.00 0.00 C ATOM 1377 C LEU A 92 -2.303 -3.549 -6.959 1.00 0.00 C ATOM 1378 O LEU A 92 -2.727 -3.166 -8.049 1.00 0.00 O ATOM 1379 CB LEU A 92 0.104 -4.024 -7.443 1.00 0.00 C ATOM 1380 CG LEU A 92 1.394 -4.500 -6.773 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.582 -4.302 -7.703 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.615 -3.766 -5.459 1.00 0.00 C ATOM 0 H LEU A 92 -1.694 -5.684 -8.597 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.045 -4.854 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.155 -4.274 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.061 -2.937 -7.373 1.00 0.00 H new ATOM 0 HG LEU A 92 1.299 -5.565 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.491 -4.646 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.427 -4.873 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.680 -3.244 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.537 -4.118 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.689 -2.695 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.777 -3.959 -4.789 1.00 0.00 H new ATOM 1394 N SER A 93 -2.766 -3.090 -5.801 1.00 0.00 N ATOM 1395 CA SER A 93 -3.825 -2.089 -5.743 1.00 0.00 C ATOM 1396 C SER A 93 -3.415 -0.821 -6.486 1.00 0.00 C ATOM 1397 O SER A 93 -2.232 -0.519 -6.646 1.00 0.00 O ATOM 1398 CB SER A 93 -4.162 -1.755 -4.289 1.00 0.00 C ATOM 1399 OG SER A 93 -3.312 -0.737 -3.789 1.00 0.00 O ATOM 0 H SER A 93 -2.424 -3.395 -4.890 1.00 0.00 H new ATOM 0 HA SER A 93 -4.709 -2.504 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.201 -1.433 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.063 -2.650 -3.675 1.00 0.00 H new ATOM 0 HG SER A 93 -3.583 0.128 -4.162 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.416 -0.059 -6.953 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.185 1.189 -7.686 1.00 0.00 C ATOM 1407 C PRO A 94 -3.631 2.293 -6.792 1.00 0.00 C ATOM 1408 O PRO A 94 -4.293 2.735 -5.853 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.579 1.563 -8.196 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.519 0.914 -7.240 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.849 -0.358 -6.799 1.00 0.00 C ATOM 0 HA PRO A 94 -3.445 1.066 -8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.717 2.644 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.738 1.204 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.720 1.564 -6.389 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.477 0.706 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.099 -0.607 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.151 -1.206 -7.414 1.00 0.00 H new ATOM 1419 N SER A 95 -2.413 2.734 -7.090 1.00 0.00 N ATOM 1420 CA SER A 95 -1.769 3.784 -6.310 1.00 0.00 C ATOM 1421 C SER A 95 -2.701 4.979 -6.133 1.00 0.00 C ATOM 1422 O SER A 95 -3.518 5.277 -7.005 1.00 0.00 O ATOM 1423 CB SER A 95 -0.473 4.230 -6.990 1.00 0.00 C ATOM 1424 OG SER A 95 -0.539 4.037 -8.392 1.00 0.00 O ATOM 0 H SER A 95 -1.853 2.381 -7.866 1.00 0.00 H new ATOM 0 HA SER A 95 -1.535 3.380 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.289 5.282 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.367 3.668 -6.582 1.00 0.00 H new ATOM 0 HG SER A 95 0.269 4.400 -8.811 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.572 5.658 -4.999 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.402 6.821 -4.707 1.00 0.00 C ATOM 1432 C ILE A 96 -2.632 8.117 -4.937 1.00 0.00 C ATOM 1433 O ILE A 96 -3.225 9.166 -5.187 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.919 6.794 -3.257 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.813 6.328 -2.307 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.137 5.889 -3.145 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.167 6.485 -0.845 1.00 0.00 C ATOM 0 H ILE A 96 -1.901 5.424 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.253 6.781 -5.388 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.214 7.804 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.590 5.280 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.904 6.893 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.490 5.881 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.928 6.261 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.867 4.876 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.338 6.135 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.361 7.535 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.058 5.898 -0.621 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.308 8.036 -4.852 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.457 9.203 -5.052 1.00 0.00 C ATOM 1451 C GLN A 97 -0.775 10.290 -4.031 1.00 0.00 C ATOM 1452 O GLN A 97 -0.925 11.460 -4.382 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.632 9.751 -6.470 1.00 0.00 C ATOM 1454 CG GLN A 97 0.352 9.171 -7.472 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.226 9.076 -8.870 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.773 10.046 -9.395 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.108 7.903 -9.481 1.00 0.00 N ATOM 0 H GLN A 97 -0.802 7.175 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 97 0.579 8.894 -4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.647 9.543 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.519 10.835 -6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.249 9.790 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.659 8.179 -7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.353 7.126 -9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.478 7.779 -10.423 1.00 0.00 H new ATOM 1466 N SER A 98 -0.878 9.895 -2.766 1.00 0.00 N ATOM 1467 CA SER A 98 -1.183 10.835 -1.694 1.00 0.00 C ATOM 1468 C SER A 98 -0.022 11.800 -1.471 1.00 0.00 C ATOM 1469 O SER A 98 1.032 11.413 -0.966 1.00 0.00 O ATOM 1470 CB SER A 98 -1.491 10.082 -0.398 1.00 0.00 C ATOM 1471 OG SER A 98 -2.309 10.857 0.460 1.00 0.00 O ATOM 0 H SER A 98 -0.755 8.930 -2.459 1.00 0.00 H new ATOM 0 HA SER A 98 -2.060 11.411 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.991 9.142 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.560 9.831 0.111 1.00 0.00 H new ATOM 0 HG SER A 98 -1.863 10.968 1.325 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.224 13.057 -1.852 1.00 0.00 N ATOM 1478 CA ARG A 99 0.806 14.077 -1.696 1.00 0.00 C ATOM 1479 C ARG A 99 0.831 14.609 -0.266 1.00 0.00 C ATOM 1480 O ARG A 99 -0.120 15.247 0.188 1.00 0.00 O ATOM 1481 CB ARG A 99 0.567 15.227 -2.675 1.00 0.00 C ATOM 1482 CG ARG A 99 1.405 16.461 -2.382 1.00 0.00 C ATOM 1483 CD ARG A 99 1.188 17.543 -3.428 1.00 0.00 C ATOM 1484 NE ARG A 99 0.047 18.396 -3.105 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.354 19.407 -3.867 1.00 0.00 C ATOM 1486 NH1 ARG A 99 0.291 19.691 -4.990 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.401 20.137 -3.506 1.00 0.00 N ATOM 0 H ARG A 99 -1.091 13.393 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 99 1.771 13.620 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.784 14.883 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.488 15.500 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.150 16.850 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.460 16.187 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.087 18.155 -3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.030 17.079 -4.402 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.470 18.205 -2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.097 19.132 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.019 20.468 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.899 19.922 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.708 20.913 -4.092 1.00 0.00 H new ATOM 1501 N THR A 100 1.925 14.342 0.441 1.00 0.00 N ATOM 1502 CA THR A 100 2.074 14.792 1.819 1.00 0.00 C ATOM 1503 C THR A 100 1.592 16.229 1.983 1.00 0.00 C ATOM 1504 O THR A 100 1.631 17.019 1.040 1.00 0.00 O ATOM 1505 CB THR A 100 3.539 14.698 2.286 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.386 15.427 1.391 1.00 0.00 O ATOM 1507 CG2 THR A 100 3.993 13.247 2.353 1.00 0.00 C ATOM 0 H THR A 100 2.721 13.816 0.081 1.00 0.00 H new ATOM 0 HA THR A 100 1.461 14.133 2.434 1.00 0.00 H new ATOM 0 HB THR A 100 3.608 15.131 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.259 14.985 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.030 13.205 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.365 12.701 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.910 12.794 1.365 1.00 0.00 H new ATOM 1515 N MET A 101 1.137 16.562 3.187 1.00 0.00 N ATOM 1516 CA MET A 101 0.649 17.906 3.475 1.00 0.00 C ATOM 1517 C MET A 101 1.763 18.935 3.311 1.00 0.00 C ATOM 1518 O MET A 101 2.913 18.706 3.687 1.00 0.00 O ATOM 1519 CB MET A 101 0.082 17.972 4.894 1.00 0.00 C ATOM 1520 CG MET A 101 1.125 18.300 5.950 1.00 0.00 C ATOM 1521 SD MET A 101 0.398 18.600 7.573 1.00 0.00 S ATOM 1522 CE MET A 101 -1.175 17.762 7.400 1.00 0.00 C ATOM 0 H MET A 101 1.096 15.920 3.978 1.00 0.00 H new ATOM 0 HA MET A 101 -0.144 18.139 2.764 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.706 18.724 4.927 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.381 17.015 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.836 17.477 6.021 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.687 19.181 5.639 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.673 17.719 8.369 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.802 18.306 6.693 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.009 16.749 7.032 1.00 0.00 H new ATOM 1532 N PRO A 102 1.416 20.096 2.736 1.00 0.00 N ATOM 1533 CA PRO A 102 2.373 21.184 2.510 1.00 0.00 C ATOM 1534 C PRO A 102 2.816 21.847 3.810 1.00 0.00 C ATOM 1535 O PRO A 102 2.179 22.786 4.287 1.00 0.00 O ATOM 1536 CB PRO A 102 1.587 22.173 1.646 1.00 0.00 C ATOM 1537 CG PRO A 102 0.158 21.910 1.973 1.00 0.00 C ATOM 1538 CD PRO A 102 0.064 20.437 2.263 1.00 0.00 C ATOM 0 HA PRO A 102 3.293 20.828 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.862 23.203 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.786 22.017 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.160 22.498 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.490 22.186 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.692 20.224 3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.206 19.869 1.373 1.00 0.00 H new ATOM 1546 N VAL A 103 3.910 21.351 4.378 1.00 0.00 N ATOM 1547 CA VAL A 103 4.439 21.897 5.623 1.00 0.00 C ATOM 1548 C VAL A 103 4.336 23.418 5.644 1.00 0.00 C ATOM 1549 O VAL A 103 3.507 23.984 6.357 1.00 0.00 O ATOM 1550 CB VAL A 103 5.909 21.490 5.834 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.753 21.893 4.634 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.455 22.110 7.111 1.00 0.00 C ATOM 0 H VAL A 103 4.447 20.572 3.997 1.00 0.00 H new ATOM 0 HA VAL A 103 3.836 21.484 6.431 1.00 0.00 H new ATOM 0 HB VAL A 103 5.956 20.406 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.789 21.597 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.374 21.398 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.702 22.973 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.495 21.812 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.395 23.196 7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.867 21.767 7.962 1.00 0.00 H new