USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 371 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 318 HIS : no HD1:sc= -2.51! C(o=-1.2!,f=-11!) USER MOD Set 1.2: B 211 TYR OH : rot -2:sc= 1.27 USER MOD Single : A 296 SER OG : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.9!) USER MOD Single : A 308 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 314 TYR OH : rot 180:sc= -1.5! USER MOD Single : A 319 ASN : amide:sc= -0.895 K(o=-0.9,f=-3.1!) USER MOD Single : A 320 ASN : amide:sc= -0.0924 X(o=-0.092,f=-0.46) USER MOD Single : A 322 THR OG1 : rot 180:sc= 0.29! USER MOD Single : A 323 THR OG1 : rot -143:sc= 0.929 USER MOD Single : A 324 GLN : amide:sc= -3.13 K(o=-3.1,f=-4) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.17) USER MOD Single : B 202 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot -65:sc= 0.0478 USER MOD Single : B 212 SER OG : rot 178:sc= 0.322 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -168:sc= -2.17 (180deg=-2.69) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 292 10.643 -15.245 -6.335 1.00 0.00 N ATOM 2 CA GLY A 292 9.793 -16.398 -6.742 1.00 0.00 C ATOM 3 C GLY A 292 8.349 -15.995 -6.988 1.00 0.00 C ATOM 4 O GLY A 292 8.035 -15.419 -8.028 1.00 0.00 O ATOM 0 HA2 GLY A 292 10.202 -16.845 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 292 9.827 -17.163 -5.966 1.00 0.00 H new ATOM 10 N PRO A 293 7.442 -16.290 -6.040 1.00 0.00 N ATOM 11 CA PRO A 293 6.022 -15.947 -6.173 1.00 0.00 C ATOM 12 C PRO A 293 5.780 -14.442 -6.102 1.00 0.00 C ATOM 13 O PRO A 293 6.726 -13.656 -6.042 1.00 0.00 O ATOM 14 CB PRO A 293 5.371 -16.650 -4.980 1.00 0.00 C ATOM 15 CG PRO A 293 6.464 -16.783 -3.976 1.00 0.00 C ATOM 16 CD PRO A 293 7.728 -16.977 -4.767 1.00 0.00 C ATOM 0 HA PRO A 293 5.618 -16.255 -7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 293 4.538 -16.069 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 293 4.973 -17.624 -5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 293 6.528 -15.894 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 293 6.284 -17.629 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 293 8.590 -16.543 -4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 293 7.948 -18.033 -4.921 1.00 0.00 H new ATOM 21 N LEU A 294 4.511 -14.047 -6.109 1.00 0.00 N ATOM 22 CA LEU A 294 4.151 -12.635 -6.044 1.00 0.00 C ATOM 23 C LEU A 294 2.636 -12.457 -6.034 1.00 0.00 C ATOM 24 O LEU A 294 2.106 -11.597 -5.330 1.00 0.00 O ATOM 25 CB LEU A 294 4.758 -11.879 -7.227 1.00 0.00 C ATOM 26 CG LEU A 294 5.010 -10.390 -6.984 1.00 0.00 C ATOM 27 CD1 LEU A 294 3.697 -9.622 -6.981 1.00 0.00 C ATOM 28 CD2 LEU A 294 5.754 -10.184 -5.674 1.00 0.00 C ATOM 0 H LEU A 294 3.716 -14.684 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 294 4.551 -12.227 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 294 5.702 -12.353 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 294 4.094 -11.984 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 294 5.630 -10.007 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 294 3.895 -8.564 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 294 3.201 -9.745 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 294 3.053 -10.006 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 294 5.925 -9.119 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 294 5.159 -10.582 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 294 6.711 -10.703 -5.714 1.00 0.00 H new ATOM 39 N GLY A 295 1.944 -13.275 -6.819 1.00 0.00 N ATOM 40 CA GLY A 295 0.496 -13.192 -6.890 1.00 0.00 C ATOM 41 C GLY A 295 0.017 -12.173 -7.907 1.00 0.00 C ATOM 42 O GLY A 295 -1.139 -11.751 -7.874 1.00 0.00 O ATOM 0 H GLY A 295 2.360 -13.996 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.092 -14.172 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 295 0.103 -12.931 -5.908 1.00 0.00 H new ATOM 46 N SER A 296 0.906 -11.776 -8.814 1.00 0.00 N ATOM 47 CA SER A 296 0.563 -10.800 -9.843 1.00 0.00 C ATOM 48 C SER A 296 -0.713 -11.206 -10.572 1.00 0.00 C ATOM 49 O SER A 296 -0.667 -11.934 -11.564 1.00 0.00 O ATOM 50 CB SER A 296 1.712 -10.658 -10.844 1.00 0.00 C ATOM 51 OG SER A 296 1.344 -9.819 -11.924 1.00 0.00 O ATOM 0 H SER A 296 1.867 -12.115 -8.857 1.00 0.00 H new ATOM 0 HA SER A 296 0.393 -9.840 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 296 2.588 -10.247 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 296 1.993 -11.641 -11.222 1.00 0.00 H new ATOM 0 HG SER A 296 2.095 -9.742 -12.549 1.00 0.00 H new ATOM 56 N GLY A 297 -1.852 -10.731 -10.078 1.00 0.00 N ATOM 57 CA GLY A 297 -3.120 -11.059 -10.699 1.00 0.00 C ATOM 58 C GLY A 297 -4.271 -10.226 -10.163 1.00 0.00 C ATOM 59 O GLY A 297 -4.090 -9.052 -9.840 1.00 0.00 O ATOM 0 H GLY A 297 -1.918 -10.126 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 297 -3.041 -10.911 -11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 297 -3.336 -12.115 -10.538 1.00 0.00 H new ATOM 63 N PRO A 298 -5.475 -10.815 -10.060 1.00 0.00 N ATOM 64 CA PRO A 298 -6.661 -10.111 -9.561 1.00 0.00 C ATOM 65 C PRO A 298 -6.639 -9.927 -8.046 1.00 0.00 C ATOM 66 O PRO A 298 -5.643 -10.227 -7.389 1.00 0.00 O ATOM 67 CB PRO A 298 -7.808 -11.037 -9.974 1.00 0.00 C ATOM 68 CG PRO A 298 -7.203 -12.398 -9.993 1.00 0.00 C ATOM 69 CD PRO A 298 -5.773 -12.214 -10.424 1.00 0.00 C ATOM 0 HA PRO A 298 -6.738 -9.100 -9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 298 -8.637 -10.981 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 298 -8.204 -10.765 -10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 298 -7.256 -12.862 -9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 298 -7.737 -13.052 -10.683 1.00 0.00 H new ATOM 0 HD2 PRO A 298 -5.108 -12.911 -9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 298 -5.652 -12.384 -11.494 1.00 0.00 H new ATOM 74 N LEU A 299 -7.739 -9.412 -7.501 1.00 0.00 N ATOM 75 CA LEU A 299 -7.852 -9.197 -6.064 1.00 0.00 C ATOM 76 C LEU A 299 -9.260 -9.537 -5.581 1.00 0.00 C ATOM 77 O LEU A 299 -10.242 -9.273 -6.275 1.00 0.00 O ATOM 78 CB LEU A 299 -7.515 -7.744 -5.712 1.00 0.00 C ATOM 79 CG LEU A 299 -6.024 -7.436 -5.553 1.00 0.00 C ATOM 80 CD1 LEU A 299 -5.829 -6.063 -4.931 1.00 0.00 C ATOM 81 CD2 LEU A 299 -5.343 -8.503 -4.709 1.00 0.00 C ATOM 0 H LEU A 299 -8.564 -9.137 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 299 -7.141 -9.855 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -7.922 -7.096 -6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -8.023 -7.486 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 299 -5.566 -7.437 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -4.763 -5.860 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -6.281 -5.306 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -6.303 -6.038 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -4.284 -8.266 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -5.804 -8.535 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -5.453 -9.474 -5.192 1.00 0.00 H new ATOM 92 N PRO A 300 -9.378 -10.131 -4.380 1.00 0.00 N ATOM 93 CA PRO A 300 -10.677 -10.508 -3.814 1.00 0.00 C ATOM 94 C PRO A 300 -11.634 -9.322 -3.728 1.00 0.00 C ATOM 95 O PRO A 300 -11.231 -8.176 -3.929 1.00 0.00 O ATOM 96 CB PRO A 300 -10.330 -11.016 -2.412 1.00 0.00 C ATOM 97 CG PRO A 300 -8.894 -11.408 -2.488 1.00 0.00 C ATOM 98 CD PRO A 300 -8.262 -10.476 -3.483 1.00 0.00 C ATOM 0 HA PRO A 300 -11.188 -11.247 -4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 300 -10.489 -10.242 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 300 -10.956 -11.863 -2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 300 -8.414 -11.322 -1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 300 -8.789 -12.446 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 300 -7.847 -9.592 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 300 -7.446 -10.957 -4.023 1.00 0.00 H new ATOM 103 N PRO A 301 -12.917 -9.583 -3.427 1.00 0.00 N ATOM 104 CA PRO A 301 -13.932 -8.530 -3.318 1.00 0.00 C ATOM 105 C PRO A 301 -13.747 -7.664 -2.074 1.00 0.00 C ATOM 106 O PRO A 301 -14.645 -7.563 -1.238 1.00 0.00 O ATOM 107 CB PRO A 301 -15.244 -9.311 -3.232 1.00 0.00 C ATOM 108 CG PRO A 301 -14.863 -10.632 -2.660 1.00 0.00 C ATOM 109 CD PRO A 301 -13.480 -10.923 -3.175 1.00 0.00 C ATOM 0 HA PRO A 301 -13.885 -7.834 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -15.968 -8.799 -2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -15.703 -9.423 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -14.876 -10.604 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -15.565 -11.407 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -12.888 -11.476 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -13.508 -11.524 -4.084 1.00 0.00 H new ATOM 114 N GLY A 302 -12.576 -7.043 -1.956 1.00 0.00 N ATOM 115 CA GLY A 302 -12.305 -6.190 -0.812 1.00 0.00 C ATOM 116 C GLY A 302 -10.919 -5.573 -0.849 1.00 0.00 C ATOM 117 O GLY A 302 -10.713 -4.467 -0.352 1.00 0.00 O ATOM 0 H GLY A 302 -11.813 -7.115 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -13.050 -5.395 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -12.413 -6.773 0.103 1.00 0.00 H new ATOM 121 N TRP A 303 -9.962 -6.287 -1.435 1.00 0.00 N ATOM 122 CA TRP A 303 -8.592 -5.797 -1.518 1.00 0.00 C ATOM 123 C TRP A 303 -8.359 -4.977 -2.778 1.00 0.00 C ATOM 124 O TRP A 303 -9.153 -5.011 -3.719 1.00 0.00 O ATOM 125 CB TRP A 303 -7.609 -6.966 -1.489 1.00 0.00 C ATOM 126 CG TRP A 303 -7.675 -7.755 -0.225 1.00 0.00 C ATOM 127 CD1 TRP A 303 -8.545 -8.764 0.062 1.00 0.00 C ATOM 128 CD2 TRP A 303 -6.840 -7.601 0.925 1.00 0.00 C ATOM 129 NE1 TRP A 303 -8.309 -9.245 1.323 1.00 0.00 N ATOM 130 CE2 TRP A 303 -7.263 -8.548 1.876 1.00 0.00 C ATOM 131 CE3 TRP A 303 -5.777 -6.752 1.244 1.00 0.00 C ATOM 132 CZ2 TRP A 303 -6.657 -8.669 3.123 1.00 0.00 C ATOM 133 CZ3 TRP A 303 -5.176 -6.874 2.481 1.00 0.00 C ATOM 134 CH2 TRP A 303 -5.616 -7.826 3.408 1.00 0.00 C ATOM 0 H TRP A 303 -10.110 -7.203 -1.858 1.00 0.00 H new ATOM 0 HA TRP A 303 -8.427 -5.152 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 303 -7.813 -7.625 -2.333 1.00 0.00 H new ATOM 0 HB3 TRP A 303 -6.596 -6.585 -1.620 1.00 0.00 H new ATOM 0 HD1 TRP A 303 -9.309 -9.131 -0.607 1.00 0.00 H new ATOM 0 HE1 TRP A 303 -8.826 -9.998 1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -5.432 -6.014 0.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -6.996 -9.402 3.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -4.353 -6.224 2.738 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -5.125 -7.897 4.367 1.00 0.00 H new ATOM 144 N GLU A 304 -7.258 -4.239 -2.777 1.00 0.00 N ATOM 145 CA GLU A 304 -6.877 -3.412 -3.910 1.00 0.00 C ATOM 146 C GLU A 304 -5.381 -3.146 -3.881 1.00 0.00 C ATOM 147 O GLU A 304 -4.795 -2.971 -2.815 1.00 0.00 O ATOM 148 CB GLU A 304 -7.631 -2.085 -3.899 1.00 0.00 C ATOM 149 CG GLU A 304 -7.231 -1.165 -5.039 1.00 0.00 C ATOM 150 CD GLU A 304 -7.534 0.291 -4.748 1.00 0.00 C ATOM 151 OE1 GLU A 304 -8.285 0.562 -3.788 1.00 0.00 O ATOM 152 OE2 GLU A 304 -7.020 1.162 -5.481 1.00 0.00 O ATOM 0 H GLU A 304 -6.607 -4.197 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 304 -7.135 -3.950 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 304 -8.702 -2.281 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 304 -7.450 -1.579 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 304 -6.165 -1.278 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 304 -7.755 -1.467 -5.946 1.00 0.00 H new ATOM 157 N ILE A 305 -4.763 -3.116 -5.052 1.00 0.00 N ATOM 158 CA ILE A 305 -3.334 -2.870 -5.135 1.00 0.00 C ATOM 159 C ILE A 305 -3.038 -1.379 -5.242 1.00 0.00 C ATOM 160 O ILE A 305 -3.653 -0.666 -6.034 1.00 0.00 O ATOM 161 CB ILE A 305 -2.702 -3.604 -6.327 1.00 0.00 C ATOM 162 CG1 ILE A 305 -3.042 -5.096 -6.254 1.00 0.00 C ATOM 163 CG2 ILE A 305 -1.194 -3.384 -6.341 1.00 0.00 C ATOM 164 CD1 ILE A 305 -2.220 -5.959 -7.184 1.00 0.00 C ATOM 0 H ILE A 305 -5.225 -3.258 -5.950 1.00 0.00 H new ATOM 0 HA ILE A 305 -2.893 -3.256 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 305 -3.108 -3.203 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -2.897 -5.442 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -4.098 -5.230 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -0.758 -3.909 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -0.983 -2.318 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -0.762 -3.767 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -2.520 -7.001 -7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.383 -5.642 -8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.163 -5.857 -6.936 1.00 0.00 H new ATOM 175 N ARG A 306 -2.091 -0.921 -4.435 1.00 0.00 N ATOM 176 CA ARG A 306 -1.705 0.483 -4.422 1.00 0.00 C ATOM 177 C ARG A 306 -0.226 0.621 -4.075 1.00 0.00 C ATOM 178 O ARG A 306 0.352 -0.268 -3.461 1.00 0.00 O ATOM 179 CB ARG A 306 -2.553 1.248 -3.406 1.00 0.00 C ATOM 180 CG ARG A 306 -3.964 1.543 -3.889 1.00 0.00 C ATOM 181 CD ARG A 306 -4.597 2.675 -3.098 1.00 0.00 C ATOM 182 NE ARG A 306 -5.926 3.015 -3.597 1.00 0.00 N ATOM 183 CZ ARG A 306 -6.143 3.610 -4.765 1.00 0.00 C ATOM 184 NH1 ARG A 306 -5.121 3.930 -5.548 1.00 0.00 N ATOM 185 NH2 ARG A 306 -7.380 3.888 -5.151 1.00 0.00 N ATOM 0 H ARG A 306 -1.574 -1.505 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 306 -1.873 0.902 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 306 -2.607 0.671 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 306 -2.056 2.188 -3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 306 -3.940 1.805 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 306 -4.576 0.646 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 306 -4.666 2.389 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 306 -3.955 3.555 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 306 -6.732 2.783 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 306 -4.167 3.719 -5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 306 -5.289 4.387 -6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 306 -8.168 3.645 -4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 306 -7.544 4.345 -6.048 1.00 0.00 H new ATOM 196 N ASN A 307 0.381 1.731 -4.473 1.00 0.00 N ATOM 197 CA ASN A 307 1.795 1.960 -4.191 1.00 0.00 C ATOM 198 C ASN A 307 1.976 3.126 -3.224 1.00 0.00 C ATOM 199 O ASN A 307 1.097 3.978 -3.091 1.00 0.00 O ATOM 200 CB ASN A 307 2.561 2.233 -5.484 1.00 0.00 C ATOM 201 CG ASN A 307 2.159 1.295 -6.606 1.00 0.00 C ATOM 202 OD1 ASN A 307 0.973 1.108 -6.879 1.00 0.00 O ATOM 203 ND2 ASN A 307 3.147 0.701 -7.264 1.00 0.00 N ATOM 0 H ASN A 307 -0.078 2.483 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 307 2.194 1.059 -3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 307 2.386 3.263 -5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 307 3.630 2.134 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 307 2.937 0.061 -8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 307 4.116 0.885 -7.004 1.00 0.00 H new ATOM 209 N THR A 308 3.124 3.160 -2.557 1.00 0.00 N ATOM 210 CA THR A 308 3.418 4.216 -1.596 1.00 0.00 C ATOM 211 C THR A 308 3.901 5.484 -2.293 1.00 0.00 C ATOM 212 O THR A 308 3.304 6.550 -2.140 1.00 0.00 O ATOM 213 CB THR A 308 4.477 3.761 -0.576 1.00 0.00 C ATOM 214 OG1 THR A 308 5.737 3.561 -1.230 1.00 0.00 O ATOM 215 CG2 THR A 308 4.042 2.473 0.107 1.00 0.00 C ATOM 0 H THR A 308 3.866 2.468 -2.664 1.00 0.00 H new ATOM 0 HA THR A 308 2.488 4.435 -1.071 1.00 0.00 H new ATOM 0 HB THR A 308 4.584 4.539 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 308 6.405 3.273 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 308 4.803 2.167 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 308 3.098 2.638 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 308 3.912 1.691 -0.641 1.00 0.00 H new ATOM 223 N ALA A 309 4.981 5.365 -3.058 1.00 0.00 N ATOM 224 CA ALA A 309 5.535 6.508 -3.771 1.00 0.00 C ATOM 225 C ALA A 309 6.804 6.128 -4.527 1.00 0.00 C ATOM 226 O ALA A 309 6.827 6.123 -5.758 1.00 0.00 O ATOM 227 CB ALA A 309 5.816 7.646 -2.803 1.00 0.00 C ATOM 0 H ALA A 309 5.488 4.491 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 309 4.797 6.839 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 309 6.230 8.494 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 309 4.889 7.946 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 309 6.531 7.315 -2.050 1.00 0.00 H new ATOM 233 N THR A 310 7.861 5.813 -3.784 1.00 0.00 N ATOM 234 CA THR A 310 9.133 5.432 -4.387 1.00 0.00 C ATOM 235 C THR A 310 8.936 4.347 -5.438 1.00 0.00 C ATOM 236 O THR A 310 9.743 4.204 -6.358 1.00 0.00 O ATOM 237 CB THR A 310 10.130 4.928 -3.327 1.00 0.00 C ATOM 238 OG1 THR A 310 9.919 5.615 -2.088 1.00 0.00 O ATOM 239 CG2 THR A 310 11.564 5.139 -3.790 1.00 0.00 C ATOM 0 H THR A 310 7.861 5.814 -2.764 1.00 0.00 H new ATOM 0 HA THR A 310 9.540 6.326 -4.860 1.00 0.00 H new ATOM 0 HB THR A 310 9.963 3.861 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 310 10.556 5.287 -1.419 1.00 0.00 H new ATOM 0 HG21 THR A 310 12.250 4.776 -3.025 1.00 0.00 H new ATOM 0 HG22 THR A 310 11.731 4.591 -4.718 1.00 0.00 H new ATOM 0 HG23 THR A 310 11.739 6.201 -3.959 1.00 0.00 H new ATOM 247 N GLY A 311 7.860 3.582 -5.294 1.00 0.00 N ATOM 248 CA GLY A 311 7.570 2.520 -6.236 1.00 0.00 C ATOM 249 C GLY A 311 7.057 1.271 -5.552 1.00 0.00 C ATOM 250 O GLY A 311 6.326 0.481 -6.152 1.00 0.00 O ATOM 0 H GLY A 311 7.182 3.680 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 311 6.829 2.868 -6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 311 8.472 2.279 -6.798 1.00 0.00 H new ATOM 254 N ARG A 312 7.440 1.088 -4.293 1.00 0.00 N ATOM 255 CA ARG A 312 7.004 -0.074 -3.526 1.00 0.00 C ATOM 256 C ARG A 312 5.497 -0.226 -3.598 1.00 0.00 C ATOM 257 O ARG A 312 4.770 0.749 -3.787 1.00 0.00 O ATOM 258 CB ARG A 312 7.447 0.036 -2.063 1.00 0.00 C ATOM 259 CG ARG A 312 8.618 -0.867 -1.709 1.00 0.00 C ATOM 260 CD ARG A 312 9.012 -0.712 -0.248 1.00 0.00 C ATOM 261 NE ARG A 312 10.064 -1.649 0.141 1.00 0.00 N ATOM 262 CZ ARG A 312 11.333 -1.529 -0.233 1.00 0.00 C ATOM 263 NH1 ARG A 312 11.706 -0.525 -1.013 1.00 0.00 N ATOM 264 NH2 ARG A 312 12.232 -2.416 0.172 1.00 0.00 N ATOM 0 H ARG A 312 8.050 1.727 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 312 7.470 -0.956 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 312 7.720 1.070 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 312 6.603 -0.208 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 312 8.353 -1.905 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 312 9.470 -0.628 -2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 312 9.353 0.308 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 312 8.136 -0.869 0.382 1.00 0.00 H new ATOM 0 HE ARG A 312 9.809 -2.440 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 312 11.018 0.159 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 312 12.681 -0.436 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 312 11.949 -3.191 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 312 13.206 -2.323 -0.116 1.00 0.00 H new ATOM 275 N VAL A 313 5.032 -1.456 -3.448 1.00 0.00 N ATOM 276 CA VAL A 313 3.610 -1.738 -3.513 1.00 0.00 C ATOM 277 C VAL A 313 3.035 -2.061 -2.161 1.00 0.00 C ATOM 278 O VAL A 313 3.741 -2.170 -1.159 1.00 0.00 O ATOM 279 CB VAL A 313 3.266 -2.938 -4.427 1.00 0.00 C ATOM 280 CG1 VAL A 313 2.200 -2.536 -5.410 1.00 0.00 C ATOM 281 CG2 VAL A 313 4.488 -3.497 -5.131 1.00 0.00 C ATOM 0 H VAL A 313 5.619 -2.273 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 313 3.179 -0.823 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 313 2.885 -3.743 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 313 1.960 -3.383 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 313 1.306 -2.225 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 313 2.561 -1.709 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 313 4.193 -4.337 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 313 4.938 -2.721 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 313 5.212 -3.835 -4.390 1.00 0.00 H new ATOM 291 N TYR A 314 1.728 -2.213 -2.164 1.00 0.00 N ATOM 292 CA TYR A 314 1.010 -2.605 -0.987 1.00 0.00 C ATOM 293 C TYR A 314 -0.439 -2.882 -1.310 1.00 0.00 C ATOM 294 O TYR A 314 -0.980 -2.371 -2.290 1.00 0.00 O ATOM 295 CB TYR A 314 1.113 -1.576 0.137 1.00 0.00 C ATOM 296 CG TYR A 314 0.244 -0.347 -0.043 1.00 0.00 C ATOM 297 CD1 TYR A 314 0.582 0.640 -0.957 1.00 0.00 C ATOM 298 CD2 TYR A 314 -0.911 -0.173 0.713 1.00 0.00 C ATOM 299 CE1 TYR A 314 -0.207 1.763 -1.117 1.00 0.00 C ATOM 300 CE2 TYR A 314 -1.706 0.947 0.556 1.00 0.00 C ATOM 301 CZ TYR A 314 -1.349 1.911 -0.360 1.00 0.00 C ATOM 302 OH TYR A 314 -2.136 3.027 -0.518 1.00 0.00 O ATOM 0 H TYR A 314 1.141 -2.067 -2.985 1.00 0.00 H new ATOM 0 HA TYR A 314 1.479 -3.521 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 314 0.845 -2.058 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 314 2.152 -1.259 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 314 1.476 0.529 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 314 -1.191 -0.926 1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 314 0.070 2.522 -1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 314 -2.601 1.065 1.148 1.00 0.00 H new ATOM 0 HH TYR A 314 -2.903 2.975 0.090 1.00 0.00 H new ATOM 311 N PHE A 315 -1.062 -3.694 -0.479 1.00 0.00 N ATOM 312 CA PHE A 315 -2.444 -4.045 -0.687 1.00 0.00 C ATOM 313 C PHE A 315 -3.333 -3.441 0.383 1.00 0.00 C ATOM 314 O PHE A 315 -3.022 -3.484 1.575 1.00 0.00 O ATOM 315 CB PHE A 315 -2.586 -5.563 -0.740 1.00 0.00 C ATOM 316 CG PHE A 315 -1.961 -6.160 -1.970 1.00 0.00 C ATOM 317 CD1 PHE A 315 -0.613 -5.971 -2.242 1.00 0.00 C ATOM 318 CD2 PHE A 315 -2.721 -6.899 -2.855 1.00 0.00 C ATOM 319 CE1 PHE A 315 -0.038 -6.512 -3.377 1.00 0.00 C ATOM 320 CE2 PHE A 315 -2.153 -7.445 -3.993 1.00 0.00 C ATOM 321 CZ PHE A 315 -0.810 -7.250 -4.253 1.00 0.00 C ATOM 0 H PHE A 315 -0.631 -4.119 0.342 1.00 0.00 H new ATOM 0 HA PHE A 315 -2.771 -3.632 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 315 -2.124 -5.999 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 315 -3.643 -5.827 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 315 -0.006 -5.395 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 315 -3.771 -7.053 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 315 1.012 -6.358 -3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 315 -2.758 -8.022 -4.676 1.00 0.00 H new ATOM 0 HZ PHE A 315 -0.364 -7.674 -5.140 1.00 0.00 H new ATOM 330 N VAL A 316 -4.443 -2.875 -0.065 1.00 0.00 N ATOM 331 CA VAL A 316 -5.392 -2.227 0.820 1.00 0.00 C ATOM 332 C VAL A 316 -6.640 -3.078 1.016 1.00 0.00 C ATOM 333 O VAL A 316 -7.333 -3.412 0.055 1.00 0.00 O ATOM 334 CB VAL A 316 -5.805 -0.853 0.258 1.00 0.00 C ATOM 335 CG1 VAL A 316 -6.475 -0.015 1.327 1.00 0.00 C ATOM 336 CG2 VAL A 316 -4.602 -0.124 -0.320 1.00 0.00 C ATOM 0 H VAL A 316 -4.709 -2.853 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 316 -4.899 -2.097 1.783 1.00 0.00 H new ATOM 0 HB VAL A 316 -6.523 -1.017 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 316 -6.758 0.951 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 316 -7.366 -0.529 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 316 -5.784 0.138 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 316 -4.916 0.844 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 316 -3.857 0.025 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 316 -4.169 -0.718 -1.125 1.00 0.00 H new ATOM 346 N ASP A 317 -6.924 -3.424 2.268 1.00 0.00 N ATOM 347 CA ASP A 317 -8.094 -4.230 2.591 1.00 0.00 C ATOM 348 C ASP A 317 -9.272 -3.337 2.965 1.00 0.00 C ATOM 349 O ASP A 317 -9.259 -2.681 4.007 1.00 0.00 O ATOM 350 CB ASP A 317 -7.781 -5.187 3.742 1.00 0.00 C ATOM 351 CG ASP A 317 -8.593 -6.464 3.667 1.00 0.00 C ATOM 352 OD1 ASP A 317 -9.196 -6.723 2.605 1.00 0.00 O ATOM 353 OD2 ASP A 317 -8.625 -7.207 4.671 1.00 0.00 O ATOM 0 H ASP A 317 -6.359 -3.158 3.075 1.00 0.00 H new ATOM 0 HA ASP A 317 -8.361 -4.813 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 317 -6.719 -5.433 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 317 -7.980 -4.688 4.690 1.00 0.00 H new ATOM 357 N HIS A 318 -10.287 -3.319 2.108 1.00 0.00 N ATOM 358 CA HIS A 318 -11.472 -2.504 2.345 1.00 0.00 C ATOM 359 C HIS A 318 -12.434 -3.183 3.321 1.00 0.00 C ATOM 360 O HIS A 318 -13.379 -2.558 3.804 1.00 0.00 O ATOM 361 CB HIS A 318 -12.169 -2.200 1.021 1.00 0.00 C ATOM 362 CG HIS A 318 -11.447 -1.161 0.222 1.00 0.00 C ATOM 363 ND1 HIS A 318 -11.408 0.147 0.631 1.00 0.00 N ATOM 364 CD2 HIS A 318 -10.724 -1.291 -0.919 1.00 0.00 C ATOM 365 CE1 HIS A 318 -10.666 0.782 -0.253 1.00 0.00 C ATOM 366 NE2 HIS A 318 -10.229 -0.046 -1.215 1.00 0.00 N ATOM 0 H HIS A 318 -10.313 -3.859 1.243 1.00 0.00 H new ATOM 0 HA HIS A 318 -11.154 -1.567 2.802 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -12.246 -3.116 0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -13.186 -1.861 1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -10.568 -2.198 -1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -10.438 1.837 -0.209 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -9.643 0.202 -2.012 1.00 0.00 H new ATOM 373 N ASN A 319 -12.193 -4.462 3.608 1.00 0.00 N ATOM 374 CA ASN A 319 -13.032 -5.206 4.540 1.00 0.00 C ATOM 375 C ASN A 319 -12.593 -4.932 5.975 1.00 0.00 C ATOM 376 O ASN A 319 -13.395 -4.525 6.816 1.00 0.00 O ATOM 377 CB ASN A 319 -12.953 -6.705 4.249 1.00 0.00 C ATOM 378 CG ASN A 319 -13.029 -7.013 2.768 1.00 0.00 C ATOM 379 OD1 ASN A 319 -13.703 -6.315 2.010 1.00 0.00 O ATOM 380 ND2 ASN A 319 -12.335 -8.064 2.346 1.00 0.00 N ATOM 0 H ASN A 319 -11.425 -5.001 3.208 1.00 0.00 H new ATOM 0 HA ASN A 319 -14.064 -4.878 4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -12.021 -7.101 4.652 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -13.766 -7.215 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -12.347 -8.320 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -11.790 -8.615 3.009 1.00 0.00 H new ATOM 386 N ASN A 320 -11.311 -5.160 6.244 1.00 0.00 N ATOM 387 CA ASN A 320 -10.750 -4.933 7.572 1.00 0.00 C ATOM 388 C ASN A 320 -10.243 -3.499 7.714 1.00 0.00 C ATOM 389 O ASN A 320 -10.029 -3.018 8.826 1.00 0.00 O ATOM 390 CB ASN A 320 -9.607 -5.913 7.842 1.00 0.00 C ATOM 391 CG ASN A 320 -10.051 -7.359 7.755 1.00 0.00 C ATOM 392 OD1 ASN A 320 -11.033 -7.759 8.378 1.00 0.00 O ATOM 393 ND2 ASN A 320 -9.322 -8.151 6.979 1.00 0.00 N ATOM 0 H ASN A 320 -10.639 -5.503 5.558 1.00 0.00 H new ATOM 0 HA ASN A 320 -11.542 -5.096 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -8.806 -5.738 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -9.195 -5.722 8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 320 -9.568 -9.136 6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -8.515 -7.775 6.481 1.00 0.00 H new ATOM 399 N ARG A 321 -10.050 -2.821 6.583 1.00 0.00 N ATOM 400 CA ARG A 321 -9.563 -1.447 6.587 1.00 0.00 C ATOM 401 C ARG A 321 -8.117 -1.388 7.068 1.00 0.00 C ATOM 402 O ARG A 321 -7.812 -0.749 8.075 1.00 0.00 O ATOM 403 CB ARG A 321 -10.449 -0.567 7.472 1.00 0.00 C ATOM 404 CG ARG A 321 -11.920 -0.617 7.092 1.00 0.00 C ATOM 405 CD ARG A 321 -12.777 -1.180 8.217 1.00 0.00 C ATOM 406 NE ARG A 321 -12.992 -0.205 9.289 1.00 0.00 N ATOM 407 CZ ARG A 321 -12.319 -0.181 10.443 1.00 0.00 C ATOM 408 NH1 ARG A 321 -11.363 -1.066 10.702 1.00 0.00 N ATOM 409 NH2 ARG A 321 -12.606 0.746 11.348 1.00 0.00 N ATOM 0 H ARG A 321 -10.224 -3.203 5.654 1.00 0.00 H new ATOM 0 HA ARG A 321 -9.603 -1.070 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -10.339 -0.881 8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -10.100 0.464 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -12.264 0.386 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -12.044 -1.230 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -13.740 -1.494 7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -12.297 -2.069 8.627 1.00 0.00 H new ATOM 0 HE ARG A 321 -13.707 0.507 9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -11.130 -1.782 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -10.861 -1.030 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -13.336 1.433 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -12.097 0.771 12.231 1.00 0.00 H new ATOM 420 N THR A 322 -7.232 -2.063 6.340 1.00 0.00 N ATOM 421 CA THR A 322 -5.817 -2.090 6.690 1.00 0.00 C ATOM 422 C THR A 322 -4.939 -2.145 5.448 1.00 0.00 C ATOM 423 O THR A 322 -5.404 -1.899 4.335 1.00 0.00 O ATOM 424 CB THR A 322 -5.481 -3.289 7.597 1.00 0.00 C ATOM 425 OG1 THR A 322 -4.115 -3.215 8.022 1.00 0.00 O ATOM 426 CG2 THR A 322 -5.718 -4.604 6.871 1.00 0.00 C ATOM 0 H THR A 322 -7.470 -2.598 5.505 1.00 0.00 H new ATOM 0 HA THR A 322 -5.613 -1.167 7.232 1.00 0.00 H new ATOM 0 HB THR A 322 -6.136 -3.250 8.467 1.00 0.00 H new ATOM 0 HG1 THR A 322 -3.910 -3.980 8.599 1.00 0.00 H new ATOM 0 HG21 THR A 322 -5.473 -5.434 7.533 1.00 0.00 H new ATOM 0 HG22 THR A 322 -6.765 -4.672 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 322 -5.086 -4.649 5.984 1.00 0.00 H new ATOM 434 N THR A 323 -3.667 -2.470 5.647 1.00 0.00 N ATOM 435 CA THR A 323 -2.716 -2.550 4.547 1.00 0.00 C ATOM 436 C THR A 323 -1.711 -3.675 4.766 1.00 0.00 C ATOM 437 O THR A 323 -1.617 -4.231 5.861 1.00 0.00 O ATOM 438 CB THR A 323 -1.947 -1.228 4.375 1.00 0.00 C ATOM 439 OG1 THR A 323 -1.492 -0.766 5.652 1.00 0.00 O ATOM 440 CG2 THR A 323 -2.830 -0.167 3.728 1.00 0.00 C ATOM 0 H THR A 323 -3.271 -2.683 6.562 1.00 0.00 H new ATOM 0 HA THR A 323 -3.295 -2.751 3.646 1.00 0.00 H new ATOM 0 HB THR A 323 -1.091 -1.407 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 323 -1.550 0.212 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 323 -2.265 0.758 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 323 -3.156 -0.513 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 323 -3.702 0.014 4.357 1.00 0.00 H new ATOM 448 N GLN A 324 -0.960 -4.005 3.720 1.00 0.00 N ATOM 449 CA GLN A 324 0.044 -5.062 3.807 1.00 0.00 C ATOM 450 C GLN A 324 0.819 -5.198 2.501 1.00 0.00 C ATOM 451 O GLN A 324 0.231 -5.248 1.421 1.00 0.00 O ATOM 452 CB GLN A 324 -0.608 -6.405 4.158 1.00 0.00 C ATOM 453 CG GLN A 324 -2.063 -6.525 3.732 1.00 0.00 C ATOM 454 CD GLN A 324 -2.534 -7.965 3.686 1.00 0.00 C ATOM 455 OE1 GLN A 324 -3.041 -8.496 4.674 1.00 0.00 O ATOM 456 NE2 GLN A 324 -2.362 -8.606 2.537 1.00 0.00 N ATOM 0 H GLN A 324 -1.026 -3.558 2.805 1.00 0.00 H new ATOM 0 HA GLN A 324 0.740 -4.784 4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 324 -0.037 -7.206 3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 324 -0.543 -6.556 5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 324 -2.689 -5.963 4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 324 -2.189 -6.072 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 324 -1.937 -8.126 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 324 -2.655 -9.579 2.447 1.00 0.00 H new ATOM 463 N PHE A 325 2.142 -5.267 2.609 1.00 0.00 N ATOM 464 CA PHE A 325 3.002 -5.413 1.438 1.00 0.00 C ATOM 465 C PHE A 325 2.925 -6.840 0.914 1.00 0.00 C ATOM 466 O PHE A 325 3.938 -7.538 0.846 1.00 0.00 O ATOM 467 CB PHE A 325 4.457 -5.097 1.798 1.00 0.00 C ATOM 468 CG PHE A 325 4.837 -3.637 1.735 1.00 0.00 C ATOM 469 CD1 PHE A 325 3.901 -2.648 1.464 1.00 0.00 C ATOM 470 CD2 PHE A 325 6.154 -3.259 1.948 1.00 0.00 C ATOM 471 CE1 PHE A 325 4.277 -1.316 1.405 1.00 0.00 C ATOM 472 CE2 PHE A 325 6.530 -1.933 1.890 1.00 0.00 C ATOM 473 CZ PHE A 325 5.591 -0.962 1.617 1.00 0.00 C ATOM 0 H PHE A 325 2.643 -5.224 3.496 1.00 0.00 H new ATOM 0 HA PHE A 325 2.659 -4.716 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 325 4.652 -5.463 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 325 5.109 -5.654 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 325 2.869 -2.920 1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 325 6.896 -4.014 2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 325 3.540 -0.556 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 325 7.560 -1.656 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 325 5.885 0.076 1.569 1.00 0.00 H new ATOM 482 N THR A 326 1.730 -7.277 0.544 1.00 0.00 N ATOM 483 CA THR A 326 1.553 -8.632 0.057 1.00 0.00 C ATOM 484 C THR A 326 0.221 -8.816 -0.654 1.00 0.00 C ATOM 485 O THR A 326 -0.752 -8.118 -0.371 1.00 0.00 O ATOM 486 CB THR A 326 1.633 -9.637 1.215 1.00 0.00 C ATOM 487 OG1 THR A 326 2.286 -9.037 2.340 1.00 0.00 O ATOM 488 CG2 THR A 326 2.388 -10.882 0.793 1.00 0.00 C ATOM 0 H THR A 326 0.878 -6.717 0.572 1.00 0.00 H new ATOM 0 HA THR A 326 2.357 -8.814 -0.656 1.00 0.00 H new ATOM 0 HB THR A 326 0.618 -9.921 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 326 2.332 -9.684 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 326 2.433 -11.581 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 326 1.875 -11.352 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 326 3.400 -10.610 0.493 1.00 0.00 H new ATOM 496 N ASP A 327 0.191 -9.765 -1.582 1.00 0.00 N ATOM 497 CA ASP A 327 -1.021 -10.068 -2.324 1.00 0.00 C ATOM 498 C ASP A 327 -1.785 -11.191 -1.627 1.00 0.00 C ATOM 499 O ASP A 327 -1.328 -12.334 -1.608 1.00 0.00 O ATOM 500 CB ASP A 327 -0.681 -10.478 -3.758 1.00 0.00 C ATOM 501 CG ASP A 327 -1.900 -10.482 -4.661 1.00 0.00 C ATOM 502 OD1 ASP A 327 -3.031 -10.499 -4.132 1.00 0.00 O ATOM 503 OD2 ASP A 327 -1.723 -10.467 -5.897 1.00 0.00 O ATOM 0 H ASP A 327 0.996 -10.338 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 327 -1.645 -9.175 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 327 0.065 -9.794 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 327 -0.232 -11.471 -3.753 1.00 0.00 H new ATOM 507 N PRO A 328 -2.960 -10.894 -1.042 1.00 0.00 N ATOM 508 CA PRO A 328 -3.761 -11.896 -0.335 1.00 0.00 C ATOM 509 C PRO A 328 -3.909 -13.180 -1.139 1.00 0.00 C ATOM 510 O PRO A 328 -3.992 -14.272 -0.575 1.00 0.00 O ATOM 511 CB PRO A 328 -5.127 -11.220 -0.146 1.00 0.00 C ATOM 512 CG PRO A 328 -5.071 -9.970 -0.960 1.00 0.00 C ATOM 513 CD PRO A 328 -3.623 -9.585 -1.033 1.00 0.00 C ATOM 0 HA PRO A 328 -3.295 -12.193 0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 328 -5.936 -11.870 -0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 328 -5.312 -10.996 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 328 -5.481 -10.135 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 328 -5.662 -9.178 -0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 328 -3.399 -9.008 -1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 328 -3.318 -8.979 -0.180 1.00 0.00 H new ATOM 518 N ARG A 329 -3.945 -13.042 -2.459 1.00 0.00 N ATOM 519 CA ARG A 329 -4.082 -14.189 -3.339 1.00 0.00 C ATOM 520 C ARG A 329 -2.960 -15.195 -3.106 1.00 0.00 C ATOM 521 O ARG A 329 -3.151 -16.402 -3.257 1.00 0.00 O ATOM 522 CB ARG A 329 -4.077 -13.738 -4.800 1.00 0.00 C ATOM 523 CG ARG A 329 -5.120 -12.676 -5.112 1.00 0.00 C ATOM 524 CD ARG A 329 -5.594 -12.752 -6.557 1.00 0.00 C ATOM 525 NE ARG A 329 -5.791 -14.131 -6.998 1.00 0.00 N ATOM 526 CZ ARG A 329 -4.985 -14.792 -7.838 1.00 0.00 C ATOM 527 NH1 ARG A 329 -3.886 -14.227 -8.330 1.00 0.00 N ATOM 528 NH2 ARG A 329 -5.277 -16.040 -8.175 1.00 0.00 N ATOM 0 H ARG A 329 -3.881 -12.145 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 329 -5.032 -14.674 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 329 -3.089 -13.350 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 329 -4.249 -14.604 -5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 329 -5.972 -12.797 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 329 -4.701 -11.688 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 329 -6.529 -12.201 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 329 -4.864 -12.266 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 329 -6.606 -14.628 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 329 -3.643 -13.271 -8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 329 -3.286 -14.749 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 329 -6.110 -16.489 -7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 329 -4.669 -16.551 -8.814 1.00 0.00 H new ATOM 539 N LEU A 330 -1.788 -14.687 -2.736 1.00 0.00 N ATOM 540 CA LEU A 330 -0.624 -15.534 -2.486 1.00 0.00 C ATOM 541 C LEU A 330 -0.983 -16.731 -1.609 1.00 0.00 C ATOM 542 O LEU A 330 -0.921 -17.877 -2.054 1.00 0.00 O ATOM 543 CB LEU A 330 0.490 -14.719 -1.826 1.00 0.00 C ATOM 544 CG LEU A 330 1.329 -13.874 -2.786 1.00 0.00 C ATOM 545 CD1 LEU A 330 2.419 -13.131 -2.030 1.00 0.00 C ATOM 546 CD2 LEU A 330 1.935 -14.749 -3.873 1.00 0.00 C ATOM 0 H LEU A 330 -1.618 -13.690 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 330 -0.274 -15.912 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 330 0.045 -14.060 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 330 1.152 -15.402 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 330 0.677 -13.139 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 330 3.006 -12.535 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 330 1.964 -12.475 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 330 3.070 -13.849 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 330 2.529 -14.132 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 330 2.573 -15.506 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 330 1.138 -15.236 -4.434 1.00 0.00 H new ATOM 557 N SER A 331 -1.357 -16.459 -0.364 1.00 0.00 N ATOM 558 CA SER A 331 -1.722 -17.517 0.571 1.00 0.00 C ATOM 559 C SER A 331 -3.233 -17.725 0.602 1.00 0.00 C ATOM 560 O SER A 331 -4.003 -16.780 0.432 1.00 0.00 O ATOM 561 CB SER A 331 -1.212 -17.186 1.975 1.00 0.00 C ATOM 562 OG SER A 331 0.141 -16.766 1.940 1.00 0.00 O ATOM 0 H SER A 331 -1.415 -15.516 0.021 1.00 0.00 H new ATOM 0 HA SER A 331 -1.255 -18.441 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 331 -1.828 -16.401 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 331 -1.308 -18.062 2.616 1.00 0.00 H new ATOM 0 HG SER A 331 0.443 -16.559 2.849 1.00 0.00 H new ATOM 567 N ALA A 332 -3.647 -18.968 0.821 1.00 0.00 N ATOM 568 CA ALA A 332 -5.065 -19.305 0.876 1.00 0.00 C ATOM 569 C ALA A 332 -5.274 -20.680 1.504 1.00 0.00 C ATOM 570 O ALA A 332 -4.363 -21.238 2.117 1.00 0.00 O ATOM 571 CB ALA A 332 -5.673 -19.263 -0.520 1.00 0.00 C ATOM 0 H ALA A 332 -3.020 -19.760 0.964 1.00 0.00 H new ATOM 0 HA ALA A 332 -5.567 -18.566 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -6.732 -19.517 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -5.561 -18.261 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -5.162 -19.981 -1.161 1.00 0.00 H new ATOM 577 N ASN A 333 -6.479 -21.220 1.350 1.00 0.00 N ATOM 578 CA ASN A 333 -6.804 -22.530 1.901 1.00 0.00 C ATOM 579 C ASN A 333 -8.268 -22.879 1.649 1.00 0.00 C ATOM 580 O ASN A 333 -8.905 -22.192 0.823 1.00 0.00 O ATOM 581 CB ASN A 333 -6.512 -22.563 3.402 1.00 0.00 C ATOM 582 CG ASN A 333 -7.063 -21.350 4.125 1.00 0.00 C ATOM 583 OD1 ASN A 333 -8.268 -21.244 4.353 1.00 0.00 O ATOM 584 ND2 ASN A 333 -6.182 -20.427 4.489 1.00 0.00 N ATOM 585 OXT ASN A 333 -8.765 -23.835 2.279 1.00 0.00 O ATOM 0 H ASN A 333 -7.245 -20.771 0.849 1.00 0.00 H new ATOM 0 HA ASN A 333 -6.181 -23.271 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 333 -6.943 -23.466 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 333 -5.435 -22.618 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 333 -6.495 -19.588 4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 333 -5.192 -20.556 4.279 1.00 0.00 H new TER 591 ASN A 333 ATOM 592 N GLY B 198 22.203 -3.199 -4.099 1.00 0.00 N ATOM 593 CA GLY B 198 21.375 -2.679 -2.976 1.00 0.00 C ATOM 594 C GLY B 198 21.414 -3.591 -1.762 1.00 0.00 C ATOM 595 O GLY B 198 22.013 -4.664 -1.818 1.00 0.00 O ATOM 0 HA2 GLY B 198 21.730 -1.687 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY B 198 20.344 -2.566 -3.310 1.00 0.00 H new ATOM 601 N PRO B 199 20.785 -3.193 -0.638 1.00 0.00 N ATOM 602 CA PRO B 199 20.771 -4.011 0.582 1.00 0.00 C ATOM 603 C PRO B 199 19.960 -5.291 0.406 1.00 0.00 C ATOM 604 O PRO B 199 20.424 -6.382 0.738 1.00 0.00 O ATOM 605 CB PRO B 199 20.115 -3.099 1.622 1.00 0.00 C ATOM 606 CG PRO B 199 19.298 -2.141 0.827 1.00 0.00 C ATOM 607 CD PRO B 199 20.044 -1.927 -0.459 1.00 0.00 C ATOM 0 HA PRO B 199 21.771 -4.341 0.863 1.00 0.00 H new ATOM 0 HB2 PRO B 199 19.494 -3.670 2.313 1.00 0.00 H new ATOM 0 HB3 PRO B 199 20.863 -2.579 2.220 1.00 0.00 H new ATOM 0 HG2 PRO B 199 18.302 -2.541 0.638 1.00 0.00 H new ATOM 0 HG3 PRO B 199 19.168 -1.201 1.363 1.00 0.00 H new ATOM 0 HD2 PRO B 199 19.365 -1.737 -1.291 1.00 0.00 H new ATOM 0 HD3 PRO B 199 20.718 -1.072 -0.396 1.00 0.00 H new ATOM 612 N LEU B 200 18.746 -5.147 -0.114 1.00 0.00 N ATOM 613 CA LEU B 200 17.870 -6.292 -0.337 1.00 0.00 C ATOM 614 C LEU B 200 17.674 -7.089 0.948 1.00 0.00 C ATOM 615 O LEU B 200 18.379 -8.067 1.195 1.00 0.00 O ATOM 616 CB LEU B 200 18.447 -7.196 -1.429 1.00 0.00 C ATOM 617 CG LEU B 200 17.426 -7.732 -2.434 1.00 0.00 C ATOM 618 CD1 LEU B 200 18.071 -7.935 -3.796 1.00 0.00 C ATOM 619 CD2 LEU B 200 16.818 -9.034 -1.932 1.00 0.00 C ATOM 0 H LEU B 200 18.346 -4.250 -0.389 1.00 0.00 H new ATOM 0 HA LEU B 200 16.899 -5.916 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU B 200 19.212 -6.641 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU B 200 18.944 -8.042 -0.954 1.00 0.00 H new ATOM 0 HG LEU B 200 16.629 -6.996 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU B 200 17.329 -8.317 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU B 200 18.459 -6.984 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU B 200 18.889 -8.650 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU B 200 16.094 -9.401 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU B 200 17.606 -9.775 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU B 200 16.319 -8.859 -0.979 1.00 0.00 H new ATOM 630 N GLY B 201 16.711 -6.668 1.762 1.00 0.00 N ATOM 631 CA GLY B 201 16.441 -7.359 3.009 1.00 0.00 C ATOM 632 C GLY B 201 15.821 -6.454 4.057 1.00 0.00 C ATOM 633 O GLY B 201 14.600 -6.394 4.190 1.00 0.00 O ATOM 0 H GLY B 201 16.114 -5.862 1.580 1.00 0.00 H new ATOM 0 HA2 GLY B 201 15.772 -8.198 2.817 1.00 0.00 H new ATOM 0 HA3 GLY B 201 17.370 -7.775 3.398 1.00 0.00 H new ATOM 637 N SER B 202 16.667 -5.751 4.804 1.00 0.00 N ATOM 638 CA SER B 202 16.197 -4.850 5.850 1.00 0.00 C ATOM 639 C SER B 202 15.283 -3.770 5.277 1.00 0.00 C ATOM 640 O SER B 202 14.900 -3.822 4.108 1.00 0.00 O ATOM 641 CB SER B 202 17.384 -4.201 6.565 1.00 0.00 C ATOM 642 OG SER B 202 17.871 -3.085 5.838 1.00 0.00 O ATOM 0 H SER B 202 17.681 -5.788 4.704 1.00 0.00 H new ATOM 0 HA SER B 202 15.625 -5.439 6.567 1.00 0.00 H new ATOM 0 HB2 SER B 202 17.082 -3.885 7.563 1.00 0.00 H new ATOM 0 HB3 SER B 202 18.182 -4.933 6.690 1.00 0.00 H new ATOM 0 HG SER B 202 18.628 -2.688 6.317 1.00 0.00 H new ATOM 647 N GLU B 203 14.937 -2.794 6.112 1.00 0.00 N ATOM 648 CA GLU B 203 14.067 -1.699 5.696 1.00 0.00 C ATOM 649 C GLU B 203 12.661 -2.201 5.388 1.00 0.00 C ATOM 650 O GLU B 203 12.202 -2.130 4.248 1.00 0.00 O ATOM 651 CB GLU B 203 14.648 -0.994 4.467 1.00 0.00 C ATOM 652 CG GLU B 203 13.849 0.225 4.032 1.00 0.00 C ATOM 653 CD GLU B 203 14.418 0.883 2.790 1.00 0.00 C ATOM 654 OE1 GLU B 203 15.578 1.342 2.839 1.00 0.00 O ATOM 655 OE2 GLU B 203 13.703 0.940 1.768 1.00 0.00 O ATOM 0 H GLU B 203 15.247 -2.740 7.082 1.00 0.00 H new ATOM 0 HA GLU B 203 14.006 -0.989 6.521 1.00 0.00 H new ATOM 0 HB2 GLU B 203 15.672 -0.689 4.683 1.00 0.00 H new ATOM 0 HB3 GLU B 203 14.694 -1.702 3.640 1.00 0.00 H new ATOM 0 HG2 GLU B 203 12.817 -0.071 3.842 1.00 0.00 H new ATOM 0 HG3 GLU B 203 13.828 0.950 4.846 1.00 0.00 H new ATOM 660 N LEU B 204 11.978 -2.709 6.409 1.00 0.00 N ATOM 661 CA LEU B 204 10.622 -3.217 6.238 1.00 0.00 C ATOM 662 C LEU B 204 9.793 -3.023 7.512 1.00 0.00 C ATOM 663 O LEU B 204 9.228 -1.951 7.727 1.00 0.00 O ATOM 664 CB LEU B 204 10.652 -4.692 5.828 1.00 0.00 C ATOM 665 CG LEU B 204 10.968 -4.952 4.355 1.00 0.00 C ATOM 666 CD1 LEU B 204 11.016 -6.447 4.078 1.00 0.00 C ATOM 667 CD2 LEU B 204 9.938 -4.277 3.460 1.00 0.00 C ATOM 0 H LEU B 204 12.340 -2.780 7.360 1.00 0.00 H new ATOM 0 HA LEU B 204 10.144 -2.646 5.442 1.00 0.00 H new ATOM 0 HB2 LEU B 204 11.394 -5.207 6.439 1.00 0.00 H new ATOM 0 HB3 LEU B 204 9.684 -5.137 6.059 1.00 0.00 H new ATOM 0 HG LEU B 204 11.947 -4.528 4.133 1.00 0.00 H new ATOM 0 HD11 LEU B 204 11.242 -6.615 3.025 1.00 0.00 H new ATOM 0 HD12 LEU B 204 11.790 -6.906 4.693 1.00 0.00 H new ATOM 0 HD13 LEU B 204 10.050 -6.893 4.317 1.00 0.00 H new ATOM 0 HD21 LEU B 204 10.179 -4.473 2.415 1.00 0.00 H new ATOM 0 HD22 LEU B 204 8.947 -4.672 3.684 1.00 0.00 H new ATOM 0 HD23 LEU B 204 9.949 -3.202 3.639 1.00 0.00 H new ATOM 678 N GLU B 205 9.731 -4.049 8.362 1.00 0.00 N ATOM 679 CA GLU B 205 8.953 -3.968 9.594 1.00 0.00 C ATOM 680 C GLU B 205 7.463 -3.872 9.277 1.00 0.00 C ATOM 681 O GLU B 205 6.707 -4.817 9.503 1.00 0.00 O ATOM 682 CB GLU B 205 9.393 -2.759 10.424 1.00 0.00 C ATOM 683 CG GLU B 205 9.833 -3.115 11.832 1.00 0.00 C ATOM 684 CD GLU B 205 9.689 -1.958 12.800 1.00 0.00 C ATOM 685 OE1 GLU B 205 8.623 -1.307 12.792 1.00 0.00 O ATOM 686 OE2 GLU B 205 10.641 -1.703 13.566 1.00 0.00 O ATOM 0 H GLU B 205 10.208 -4.939 8.219 1.00 0.00 H new ATOM 0 HA GLU B 205 9.130 -4.874 10.174 1.00 0.00 H new ATOM 0 HB2 GLU B 205 10.214 -2.257 9.912 1.00 0.00 H new ATOM 0 HB3 GLU B 205 8.569 -2.048 10.479 1.00 0.00 H new ATOM 0 HG2 GLU B 205 9.243 -3.959 12.190 1.00 0.00 H new ATOM 0 HG3 GLU B 205 10.873 -3.439 11.812 1.00 0.00 H new ATOM 691 N SER B 206 7.052 -2.723 8.752 1.00 0.00 N ATOM 692 CA SER B 206 5.657 -2.499 8.390 1.00 0.00 C ATOM 693 C SER B 206 5.497 -1.178 7.640 1.00 0.00 C ATOM 694 O SER B 206 4.807 -0.273 8.109 1.00 0.00 O ATOM 695 CB SER B 206 4.776 -2.498 9.640 1.00 0.00 C ATOM 696 OG SER B 206 3.402 -2.489 9.296 1.00 0.00 O ATOM 0 H SER B 206 7.667 -1.930 8.567 1.00 0.00 H new ATOM 0 HA SER B 206 5.343 -3.311 7.735 1.00 0.00 H new ATOM 0 HB2 SER B 206 4.997 -3.377 10.245 1.00 0.00 H new ATOM 0 HB3 SER B 206 5.007 -1.625 10.251 1.00 0.00 H new ATOM 0 HG SER B 206 3.184 -1.648 8.842 1.00 0.00 H new ATOM 701 N PRO B 207 6.134 -1.050 6.462 1.00 0.00 N ATOM 702 CA PRO B 207 6.065 0.168 5.651 1.00 0.00 C ATOM 703 C PRO B 207 4.700 0.439 4.998 1.00 0.00 C ATOM 704 O PRO B 207 4.346 1.606 4.823 1.00 0.00 O ATOM 705 CB PRO B 207 7.139 -0.045 4.575 1.00 0.00 C ATOM 706 CG PRO B 207 7.935 -1.223 5.025 1.00 0.00 C ATOM 707 CD PRO B 207 6.993 -2.064 5.827 1.00 0.00 C ATOM 0 HA PRO B 207 6.221 1.043 6.282 1.00 0.00 H new ATOM 0 HB2 PRO B 207 6.686 -0.228 3.601 1.00 0.00 H new ATOM 0 HB3 PRO B 207 7.770 0.838 4.472 1.00 0.00 H new ATOM 0 HG2 PRO B 207 8.328 -1.779 4.174 1.00 0.00 H new ATOM 0 HG3 PRO B 207 8.790 -0.912 5.625 1.00 0.00 H new ATOM 0 HD2 PRO B 207 6.421 -2.747 5.199 1.00 0.00 H new ATOM 0 HD3 PRO B 207 7.517 -2.673 6.564 1.00 0.00 H new ATOM 712 N PRO B 208 3.906 -0.596 4.612 1.00 0.00 N ATOM 713 CA PRO B 208 2.616 -0.377 3.970 1.00 0.00 C ATOM 714 C PRO B 208 1.842 0.799 4.552 1.00 0.00 C ATOM 715 O PRO B 208 1.512 0.798 5.738 1.00 0.00 O ATOM 716 CB PRO B 208 1.849 -1.667 4.222 1.00 0.00 C ATOM 717 CG PRO B 208 2.878 -2.720 4.457 1.00 0.00 C ATOM 718 CD PRO B 208 4.197 -2.035 4.728 1.00 0.00 C ATOM 0 HA PRO B 208 2.751 -0.136 2.916 1.00 0.00 H new ATOM 0 HB2 PRO B 208 1.190 -1.567 5.084 1.00 0.00 H new ATOM 0 HB3 PRO B 208 1.220 -1.920 3.368 1.00 0.00 H new ATOM 0 HG2 PRO B 208 2.594 -3.348 5.302 1.00 0.00 H new ATOM 0 HG3 PRO B 208 2.960 -3.373 3.588 1.00 0.00 H new ATOM 0 HD2 PRO B 208 4.575 -2.283 5.720 1.00 0.00 H new ATOM 0 HD3 PRO B 208 4.957 -2.344 4.011 1.00 0.00 H new ATOM 723 N PRO B 209 1.588 1.841 3.736 1.00 0.00 N ATOM 724 CA PRO B 209 0.817 3.015 4.148 1.00 0.00 C ATOM 725 C PRO B 209 -0.469 2.631 4.884 1.00 0.00 C ATOM 726 O PRO B 209 -0.688 1.464 5.195 1.00 0.00 O ATOM 727 CB PRO B 209 0.495 3.710 2.813 1.00 0.00 C ATOM 728 CG PRO B 209 0.982 2.798 1.747 1.00 0.00 C ATOM 729 CD PRO B 209 2.071 2.001 2.361 1.00 0.00 C ATOM 0 HA PRO B 209 1.365 3.645 4.848 1.00 0.00 H new ATOM 0 HB2 PRO B 209 -0.576 3.888 2.715 1.00 0.00 H new ATOM 0 HB3 PRO B 209 0.987 4.681 2.750 1.00 0.00 H new ATOM 0 HG2 PRO B 209 0.180 2.153 1.388 1.00 0.00 H new ATOM 0 HG3 PRO B 209 1.347 3.361 0.888 1.00 0.00 H new ATOM 0 HD2 PRO B 209 2.207 1.042 1.861 1.00 0.00 H new ATOM 0 HD3 PRO B 209 3.029 2.520 2.322 1.00 0.00 H new ATOM 734 N PRO B 210 -1.359 3.599 5.147 1.00 0.00 N ATOM 735 CA PRO B 210 -2.595 3.341 5.862 1.00 0.00 C ATOM 736 C PRO B 210 -3.728 2.937 4.933 1.00 0.00 C ATOM 737 O PRO B 210 -3.623 3.071 3.714 1.00 0.00 O ATOM 738 CB PRO B 210 -2.889 4.684 6.516 1.00 0.00 C ATOM 739 CG PRO B 210 -2.291 5.708 5.600 1.00 0.00 C ATOM 740 CD PRO B 210 -1.264 5.006 4.739 1.00 0.00 C ATOM 0 HA PRO B 210 -2.505 2.513 6.565 1.00 0.00 H new ATOM 0 HB2 PRO B 210 -3.962 4.839 6.632 1.00 0.00 H new ATOM 0 HB3 PRO B 210 -2.449 4.742 7.512 1.00 0.00 H new ATOM 0 HG2 PRO B 210 -3.063 6.165 4.980 1.00 0.00 H new ATOM 0 HG3 PRO B 210 -1.826 6.510 6.173 1.00 0.00 H new ATOM 0 HD2 PRO B 210 -1.481 5.129 3.678 1.00 0.00 H new ATOM 0 HD3 PRO B 210 -0.263 5.404 4.908 1.00 0.00 H new ATOM 745 N TYR B 211 -4.812 2.443 5.516 1.00 0.00 N ATOM 746 CA TYR B 211 -5.961 2.024 4.736 1.00 0.00 C ATOM 747 C TYR B 211 -6.509 3.206 3.941 1.00 0.00 C ATOM 748 O TYR B 211 -6.207 3.364 2.760 1.00 0.00 O ATOM 749 CB TYR B 211 -7.047 1.441 5.654 1.00 0.00 C ATOM 750 CG TYR B 211 -8.402 1.308 4.993 1.00 0.00 C ATOM 751 CD1 TYR B 211 -8.549 0.584 3.821 1.00 0.00 C ATOM 752 CD2 TYR B 211 -9.526 1.921 5.533 1.00 0.00 C ATOM 753 CE1 TYR B 211 -9.780 0.471 3.200 1.00 0.00 C ATOM 754 CE2 TYR B 211 -10.761 1.809 4.922 1.00 0.00 C ATOM 755 CZ TYR B 211 -10.883 1.084 3.756 1.00 0.00 C ATOM 756 OH TYR B 211 -12.109 0.973 3.142 1.00 0.00 O ATOM 0 H TYR B 211 -4.917 2.324 6.524 1.00 0.00 H new ATOM 0 HA TYR B 211 -5.650 1.247 4.038 1.00 0.00 H new ATOM 0 HB2 TYR B 211 -6.726 0.459 6.003 1.00 0.00 H new ATOM 0 HB3 TYR B 211 -7.144 2.076 6.535 1.00 0.00 H new ATOM 0 HD1 TYR B 211 -7.688 0.100 3.385 1.00 0.00 H new ATOM 0 HD2 TYR B 211 -9.433 2.494 6.444 1.00 0.00 H new ATOM 0 HE1 TYR B 211 -9.877 -0.094 2.285 1.00 0.00 H new ATOM 0 HE2 TYR B 211 -11.626 2.287 5.356 1.00 0.00 H new ATOM 0 HH TYR B 211 -12.015 0.458 2.314 1.00 0.00 H new ATOM 765 N SER B 212 -7.307 4.035 4.608 1.00 0.00 N ATOM 766 CA SER B 212 -7.899 5.204 3.971 1.00 0.00 C ATOM 767 C SER B 212 -8.747 4.796 2.770 1.00 0.00 C ATOM 768 O SER B 212 -9.966 4.675 2.880 1.00 0.00 O ATOM 769 CB SER B 212 -6.803 6.183 3.542 1.00 0.00 C ATOM 770 OG SER B 212 -6.894 7.398 4.266 1.00 0.00 O ATOM 0 H SER B 212 -7.558 3.918 5.590 1.00 0.00 H new ATOM 0 HA SER B 212 -8.549 5.698 4.694 1.00 0.00 H new ATOM 0 HB2 SER B 212 -5.824 5.732 3.704 1.00 0.00 H new ATOM 0 HB3 SER B 212 -6.888 6.385 2.474 1.00 0.00 H new ATOM 0 HG SER B 212 -6.163 7.993 3.999 1.00 0.00 H new ATOM 775 N ARG B 213 -8.092 4.584 1.627 1.00 0.00 N ATOM 776 CA ARG B 213 -8.768 4.183 0.389 1.00 0.00 C ATOM 777 C ARG B 213 -7.880 4.467 -0.818 1.00 0.00 C ATOM 778 O ARG B 213 -7.695 3.611 -1.683 1.00 0.00 O ATOM 779 CB ARG B 213 -10.109 4.909 0.222 1.00 0.00 C ATOM 780 CG ARG B 213 -11.306 4.085 0.670 1.00 0.00 C ATOM 781 CD ARG B 213 -12.099 3.554 -0.512 1.00 0.00 C ATOM 782 NE ARG B 213 -13.284 4.363 -0.782 1.00 0.00 N ATOM 783 CZ ARG B 213 -14.335 3.927 -1.468 1.00 0.00 C ATOM 784 NH1 ARG B 213 -14.349 2.693 -1.953 1.00 0.00 N ATOM 785 NH2 ARG B 213 -15.374 4.725 -1.669 1.00 0.00 N ATOM 0 H ARG B 213 -7.081 4.685 1.532 1.00 0.00 H new ATOM 0 HA ARG B 213 -8.962 3.112 0.453 1.00 0.00 H new ATOM 0 HB2 ARG B 213 -10.084 5.838 0.792 1.00 0.00 H new ATOM 0 HB3 ARG B 213 -10.237 5.182 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG B 213 -10.964 3.251 1.283 1.00 0.00 H new ATOM 0 HG3 ARG B 213 -11.954 4.697 1.297 1.00 0.00 H new ATOM 0 HD2 ARG B 213 -11.463 3.536 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG B 213 -12.400 2.525 -0.314 1.00 0.00 H new ATOM 0 HE ARG B 213 -13.306 5.318 -0.423 1.00 0.00 H new ATOM 0 HH11 ARG B 213 -13.552 2.076 -1.800 1.00 0.00 H new ATOM 0 HH12 ARG B 213 -15.157 2.361 -2.479 1.00 0.00 H new ATOM 0 HH21 ARG B 213 -15.367 5.675 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG B 213 -16.180 4.389 -2.196 1.00 0.00 H new ATOM 796 N TYR B 214 -7.332 5.678 -0.865 1.00 0.00 N ATOM 797 CA TYR B 214 -6.458 6.087 -1.959 1.00 0.00 C ATOM 798 C TYR B 214 -5.012 5.676 -1.680 1.00 0.00 C ATOM 799 O TYR B 214 -4.699 5.186 -0.595 1.00 0.00 O ATOM 800 CB TYR B 214 -6.552 7.601 -2.164 1.00 0.00 C ATOM 801 CG TYR B 214 -7.950 8.148 -1.999 1.00 0.00 C ATOM 802 CD1 TYR B 214 -9.060 7.362 -2.279 1.00 0.00 C ATOM 803 CD2 TYR B 214 -8.160 9.452 -1.571 1.00 0.00 C ATOM 804 CE1 TYR B 214 -10.339 7.859 -2.136 1.00 0.00 C ATOM 805 CE2 TYR B 214 -9.436 9.957 -1.426 1.00 0.00 C ATOM 806 CZ TYR B 214 -10.523 9.158 -1.709 1.00 0.00 C ATOM 807 OH TYR B 214 -11.797 9.657 -1.566 1.00 0.00 O ATOM 0 H TYR B 214 -7.479 6.395 -0.155 1.00 0.00 H new ATOM 0 HA TYR B 214 -6.783 5.585 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR B 214 -5.891 8.097 -1.454 1.00 0.00 H new ATOM 0 HB3 TYR B 214 -6.190 7.847 -3.162 1.00 0.00 H new ATOM 0 HD1 TYR B 214 -8.920 6.345 -2.614 1.00 0.00 H new ATOM 0 HD2 TYR B 214 -7.311 10.081 -1.348 1.00 0.00 H new ATOM 0 HE1 TYR B 214 -11.192 7.234 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR B 214 -9.582 10.974 -1.092 1.00 0.00 H new ATOM 0 HH TYR B 214 -11.752 10.586 -1.256 1.00 0.00 H new ATOM 816 N PRO B 215 -4.114 5.865 -2.661 1.00 0.00 N ATOM 817 CA PRO B 215 -2.707 5.509 -2.519 1.00 0.00 C ATOM 818 C PRO B 215 -1.881 6.623 -1.885 1.00 0.00 C ATOM 819 O PRO B 215 -1.414 7.530 -2.572 1.00 0.00 O ATOM 820 CB PRO B 215 -2.271 5.267 -3.964 1.00 0.00 C ATOM 821 CG PRO B 215 -3.162 6.132 -4.800 1.00 0.00 C ATOM 822 CD PRO B 215 -4.400 6.436 -3.987 1.00 0.00 C ATOM 0 HA PRO B 215 -2.562 4.652 -1.861 1.00 0.00 H new ATOM 0 HB2 PRO B 215 -1.223 5.529 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO B 215 -2.377 4.217 -4.235 1.00 0.00 H new ATOM 0 HG2 PRO B 215 -2.650 7.054 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO B 215 -3.428 5.624 -5.727 1.00 0.00 H new ATOM 0 HD2 PRO B 215 -4.583 7.509 -3.927 1.00 0.00 H new ATOM 0 HD3 PRO B 215 -5.288 5.986 -4.431 1.00 0.00 H new ATOM 827 N MET B 216 -1.704 6.547 -0.570 1.00 0.00 N ATOM 828 CA MET B 216 -0.933 7.550 0.153 1.00 0.00 C ATOM 829 C MET B 216 0.112 6.901 1.054 1.00 0.00 C ATOM 830 O MET B 216 -0.222 6.290 2.067 1.00 0.00 O ATOM 831 CB MET B 216 -1.863 8.443 0.980 1.00 0.00 C ATOM 832 CG MET B 216 -2.438 7.762 2.215 1.00 0.00 C ATOM 833 SD MET B 216 -4.109 8.320 2.603 1.00 0.00 S ATOM 834 CE MET B 216 -5.011 7.715 1.178 1.00 0.00 C ATOM 0 H MET B 216 -2.083 5.803 0.015 1.00 0.00 H new ATOM 0 HA MET B 216 -0.411 8.164 -0.581 1.00 0.00 H new ATOM 0 HB2 MET B 216 -1.315 9.333 1.290 1.00 0.00 H new ATOM 0 HB3 MET B 216 -2.684 8.779 0.347 1.00 0.00 H new ATOM 0 HG2 MET B 216 -2.447 6.683 2.059 1.00 0.00 H new ATOM 0 HG3 MET B 216 -1.787 7.956 3.068 1.00 0.00 H new ATOM 0 HE1 MET B 216 -6.006 8.159 1.162 1.00 0.00 H new ATOM 0 HE2 MET B 216 -4.478 7.988 0.267 1.00 0.00 H new ATOM 0 HE3 MET B 216 -5.098 6.630 1.236 1.00 0.00 H new ATOM 842 N ASP B 217 1.381 7.047 0.677 1.00 0.00 N ATOM 843 CA ASP B 217 2.486 6.478 1.444 1.00 0.00 C ATOM 844 C ASP B 217 2.334 6.776 2.933 1.00 0.00 C ATOM 845 O ASP B 217 2.816 5.963 3.750 1.00 0.00 O ATOM 846 CB ASP B 217 3.821 7.029 0.939 1.00 0.00 C ATOM 847 CG ASP B 217 3.762 8.517 0.656 1.00 0.00 C ATOM 848 OD1 ASP B 217 2.928 8.931 -0.177 1.00 0.00 O ATOM 849 OD2 ASP B 217 4.550 9.269 1.267 1.00 0.00 O ATOM 850 OXT ASP B 217 1.736 7.820 3.269 1.00 0.00 O ATOM 0 H ASP B 217 1.669 7.557 -0.158 1.00 0.00 H new ATOM 0 HA ASP B 217 2.467 5.397 1.306 1.00 0.00 H new ATOM 0 HB2 ASP B 217 4.596 6.833 1.681 1.00 0.00 H new ATOM 0 HB3 ASP B 217 4.109 6.500 0.030 1.00 0.00 H new TER 854 ASP B 217