USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 514 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 NoAdj-H: A 382 HIS HE2 : A 382 HIS NE2 : A 402 ZNZN :(H bumps) USER MOD Set 1.1: A 364 ASN : amide:sc= 2.14 K(o=3.2,f=-2.7!) USER MOD Set 1.2: A 366 ASN : amide:sc= 1.03 K(o=3.2,f=1.2) USER MOD Set 2.1: A 353 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.191) USER MOD Set 2.2: A 357 SER OG : rot 180:sc= 0 USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 LYS NZ :NH3+ 168:sc=-0.00562 (180deg=-0.139) USER MOD Single : A 327 CYS SG : rot 8:sc= 0.0542 USER MOD Single : A 331 SER OG : rot -12:sc= 0.257 USER MOD Single : A 333 THR OG1 : rot 70:sc= 1.14 USER MOD Single : A 334 SER OG : rot 16:sc= 0.893 USER MOD Single : A 335 ASN : amide:sc= 1.14 K(o=1.1,f=-0.11) USER MOD Single : A 340 ASN : amide:sc= 1.07 K(o=1.1,f=-0.0014) USER MOD Single : A 341 THR OG1 : rot -145:sc= -0.892! USER MOD Single : A 342 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0.96) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 348 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 350 THR OG1 : rot 180:sc= 0 USER MOD Single : A 358 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.1) USER MOD Single : A 359 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-2.3!) USER MOD Single : A 360 MET CE :methyl -126:sc= -0.996 (180deg=-5.13!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.327 F(o=-3.2,f=-0.33) USER MOD Single : A 368 LYS NZ :NH3+ -112:sc= -1.1 (180deg=-3.04!) USER MOD Single : A 384 SER OG : rot -50:sc= 0.041 USER MOD Single : A 387 TYR OH : rot 171:sc= 0.536 USER MOD Single : A 388 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.049) USER MOD Single : A 390 ASN : amide:sc= -0.0345 K(o=-0.035,f=-1.1!) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 ASN : amide:sc=-0.00516 X(o=-0.0052,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 1.322 -9.664 -17.178 1.00 0.00 N ATOM 2 CA GLY A 323 0.132 -8.965 -17.711 1.00 0.00 C ATOM 3 C GLY A 323 0.340 -7.471 -17.768 1.00 0.00 C ATOM 4 O GLY A 323 0.458 -6.820 -16.732 1.00 0.00 O ATOM 0 HA2 GLY A 323 -0.093 -9.339 -18.710 1.00 0.00 H new ATOM 0 HA3 GLY A 323 -0.732 -9.188 -17.085 1.00 0.00 H new ATOM 10 N SER A 324 0.381 -6.921 -18.976 1.00 0.00 N ATOM 11 CA SER A 324 0.602 -5.492 -19.164 1.00 0.00 C ATOM 12 C SER A 324 -0.572 -4.661 -18.631 1.00 0.00 C ATOM 13 O SER A 324 -0.380 -3.561 -18.106 1.00 0.00 O ATOM 14 CB SER A 324 0.846 -5.187 -20.641 1.00 0.00 C ATOM 15 OG SER A 324 1.926 -5.962 -21.149 1.00 0.00 O ATOM 0 H SER A 324 0.264 -7.445 -19.843 1.00 0.00 H new ATOM 0 HA SER A 324 1.486 -5.213 -18.591 1.00 0.00 H new ATOM 0 HB2 SER A 324 -0.058 -5.396 -21.214 1.00 0.00 H new ATOM 0 HB3 SER A 324 1.064 -4.126 -20.766 1.00 0.00 H new ATOM 0 HG SER A 324 2.063 -5.751 -22.096 1.00 0.00 H new ATOM 21 N LYS A 325 -1.783 -5.187 -18.764 1.00 0.00 N ATOM 22 CA LYS A 325 -2.966 -4.487 -18.280 1.00 0.00 C ATOM 23 C LYS A 325 -3.314 -4.935 -16.870 1.00 0.00 C ATOM 24 O LYS A 325 -4.013 -4.237 -16.138 1.00 0.00 O ATOM 25 CB LYS A 325 -4.152 -4.718 -19.213 1.00 0.00 C ATOM 26 CG LYS A 325 -3.920 -4.236 -20.637 1.00 0.00 C ATOM 27 CD LYS A 325 -5.151 -4.447 -21.503 1.00 0.00 C ATOM 28 CE LYS A 325 -6.294 -3.546 -21.067 1.00 0.00 C ATOM 29 NZ LYS A 325 -7.539 -3.824 -21.816 1.00 0.00 N1+ ATOM 0 H LYS A 325 -1.971 -6.090 -19.200 1.00 0.00 H new ATOM 0 HA LYS A 325 -2.743 -3.420 -18.262 1.00 0.00 H new ATOM 0 HB2 LYS A 325 -4.383 -5.783 -19.234 1.00 0.00 H new ATOM 0 HB3 LYS A 325 -5.026 -4.210 -18.806 1.00 0.00 H new ATOM 0 HG2 LYS A 325 -3.658 -3.178 -20.626 1.00 0.00 H new ATOM 0 HG3 LYS A 325 -3.074 -4.769 -21.070 1.00 0.00 H new ATOM 0 HD2 LYS A 325 -4.904 -4.246 -22.545 1.00 0.00 H new ATOM 0 HD3 LYS A 325 -5.464 -5.489 -21.445 1.00 0.00 H new ATOM 0 HE2 LYS A 325 -6.475 -3.681 -20.001 1.00 0.00 H new ATOM 0 HE3 LYS A 325 -6.009 -2.504 -21.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 -8.292 -3.187 -21.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 -7.375 -3.670 -22.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 -7.827 -4.811 -21.657 1.00 0.00 H new ATOM 43 N LYS A 326 -2.830 -6.104 -16.497 1.00 0.00 N ATOM 44 CA LYS A 326 -3.060 -6.631 -15.170 1.00 0.00 C ATOM 45 C LYS A 326 -1.947 -6.178 -14.230 1.00 0.00 C ATOM 46 O LYS A 326 -0.951 -6.880 -14.044 1.00 0.00 O ATOM 47 CB LYS A 326 -3.141 -8.161 -15.202 1.00 0.00 C ATOM 48 CG LYS A 326 -3.439 -8.796 -13.847 1.00 0.00 C ATOM 49 CD LYS A 326 -3.454 -10.318 -13.927 1.00 0.00 C ATOM 50 CE LYS A 326 -2.073 -10.888 -14.247 1.00 0.00 C ATOM 51 NZ LYS A 326 -1.096 -10.635 -13.159 1.00 0.00 N1+ ATOM 0 H LYS A 326 -2.272 -6.708 -17.100 1.00 0.00 H new ATOM 0 HA LYS A 326 -4.012 -6.247 -14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 326 -3.915 -8.459 -15.909 1.00 0.00 H new ATOM 0 HB3 LYS A 326 -2.197 -8.557 -15.577 1.00 0.00 H new ATOM 0 HG2 LYS A 326 -2.689 -8.477 -13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -4.404 -8.441 -13.484 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -3.805 -10.727 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 326 -4.163 -10.634 -14.692 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -2.155 -11.962 -14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 326 -1.705 -10.446 -15.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 -0.241 -11.205 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 -0.842 -9.626 -13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -1.519 -10.896 -12.245 1.00 0.00 H new ATOM 65 N CYS A 327 -2.098 -4.994 -13.679 1.00 0.00 N ATOM 66 CA CYS A 327 -1.112 -4.439 -12.770 1.00 0.00 C ATOM 67 C CYS A 327 -1.799 -3.650 -11.660 1.00 0.00 C ATOM 68 O CYS A 327 -3.025 -3.681 -11.531 1.00 0.00 O ATOM 69 CB CYS A 327 -0.131 -3.535 -13.533 1.00 0.00 C ATOM 70 SG CYS A 327 0.785 -4.369 -14.856 1.00 0.00 S ATOM 0 H CYS A 327 -2.902 -4.389 -13.845 1.00 0.00 H new ATOM 0 HA CYS A 327 -0.554 -5.261 -12.321 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -0.685 -2.700 -13.962 1.00 0.00 H new ATOM 0 HB3 CYS A 327 0.582 -3.114 -12.824 1.00 0.00 H new ATOM 0 HG CYS A 327 0.304 -5.564 -15.030 1.00 0.00 H new ATOM 76 N ASP A 328 -1.011 -2.953 -10.862 1.00 0.00 N ATOM 77 CA ASP A 328 -1.539 -2.147 -9.767 1.00 0.00 C ATOM 78 C ASP A 328 -1.575 -0.678 -10.168 1.00 0.00 C ATOM 79 O ASP A 328 -1.706 0.210 -9.329 1.00 0.00 O ATOM 80 CB ASP A 328 -0.677 -2.328 -8.506 1.00 0.00 C ATOM 81 CG ASP A 328 0.691 -1.661 -8.607 1.00 0.00 C ATOM 82 OD1 ASP A 328 1.569 -2.183 -9.330 1.00 0.00 O1- ATOM 83 OD2 ASP A 328 0.897 -0.618 -7.951 1.00 0.00 O ATOM 0 H ASP A 328 0.005 -2.927 -10.950 1.00 0.00 H new ATOM 0 HA ASP A 328 -2.554 -2.479 -9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -1.210 -1.918 -7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -0.541 -3.393 -8.318 1.00 0.00 H new ATOM 88 N ASP A 329 -1.483 -0.437 -11.460 1.00 0.00 N ATOM 89 CA ASP A 329 -1.436 0.918 -11.987 1.00 0.00 C ATOM 90 C ASP A 329 -2.812 1.495 -12.234 1.00 0.00 C ATOM 91 O ASP A 329 -3.580 0.974 -13.048 1.00 0.00 O ATOM 92 CB ASP A 329 -0.648 0.954 -13.298 1.00 0.00 C ATOM 93 CG ASP A 329 -0.744 2.305 -14.001 1.00 0.00 C ATOM 94 OD1 ASP A 329 0.008 3.227 -13.628 1.00 0.00 O ATOM 95 OD2 ASP A 329 -1.565 2.446 -14.941 1.00 0.00 O1- ATOM 0 H ASP A 329 -1.439 -1.166 -12.172 1.00 0.00 H new ATOM 0 HA ASP A 329 -0.943 1.525 -11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 329 0.399 0.727 -13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -1.020 0.175 -13.963 1.00 0.00 H new ATOM 100 N ASP A 330 -3.137 2.553 -11.521 1.00 0.00 N ATOM 101 CA ASP A 330 -4.336 3.300 -11.814 1.00 0.00 C ATOM 102 C ASP A 330 -3.966 4.350 -12.806 1.00 0.00 C ATOM 103 O ASP A 330 -3.041 5.137 -12.585 1.00 0.00 O ATOM 104 CB ASP A 330 -4.937 3.946 -10.579 1.00 0.00 C ATOM 105 CG ASP A 330 -6.160 4.813 -10.887 1.00 0.00 C ATOM 106 OD1 ASP A 330 -7.303 4.287 -10.885 1.00 0.00 O ATOM 107 OD2 ASP A 330 -5.989 6.024 -11.117 1.00 0.00 O1- ATOM 0 H ASP A 330 -2.589 2.912 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 330 -5.094 2.621 -12.204 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -5.221 3.167 -9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -4.179 4.559 -10.092 1.00 0.00 H new ATOM 112 N SER A 331 -4.656 4.366 -13.874 1.00 0.00 N ATOM 113 CA SER A 331 -4.352 5.253 -14.954 1.00 0.00 C ATOM 114 C SER A 331 -5.032 6.598 -14.764 1.00 0.00 C ATOM 115 O SER A 331 -5.856 7.010 -15.577 1.00 0.00 O ATOM 116 CB SER A 331 -4.758 4.600 -16.249 1.00 0.00 C ATOM 117 OG SER A 331 -4.023 3.390 -16.450 1.00 0.00 O ATOM 0 H SER A 331 -5.461 3.762 -14.040 1.00 0.00 H new ATOM 0 HA SER A 331 -3.280 5.447 -14.977 1.00 0.00 H new ATOM 0 HB2 SER A 331 -5.827 4.386 -16.236 1.00 0.00 H new ATOM 0 HB3 SER A 331 -4.580 5.283 -17.079 1.00 0.00 H new ATOM 0 HG SER A 331 -3.285 3.345 -15.807 1.00 0.00 H new ATOM 123 N GLU A 332 -4.683 7.248 -13.641 1.00 0.00 N ATOM 124 CA GLU A 332 -5.200 8.573 -13.231 1.00 0.00 C ATOM 125 C GLU A 332 -6.720 8.623 -13.241 1.00 0.00 C ATOM 126 O GLU A 332 -7.331 9.695 -13.279 1.00 0.00 O ATOM 127 CB GLU A 332 -4.578 9.715 -14.053 1.00 0.00 C ATOM 128 CG GLU A 332 -4.979 9.768 -15.516 1.00 0.00 C ATOM 129 CD GLU A 332 -4.183 10.786 -16.289 1.00 0.00 C ATOM 130 OE1 GLU A 332 -4.384 11.994 -16.068 1.00 0.00 O1- ATOM 131 OE2 GLU A 332 -3.322 10.383 -17.102 1.00 0.00 O ATOM 0 H GLU A 332 -4.017 6.860 -12.973 1.00 0.00 H new ATOM 0 HA GLU A 332 -4.889 8.725 -12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -4.848 10.662 -13.587 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -3.493 9.630 -13.996 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -4.840 8.784 -15.965 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -6.040 10.006 -15.591 1.00 0.00 H new ATOM 138 N THR A 333 -7.308 7.460 -13.161 1.00 0.00 N ATOM 139 CA THR A 333 -8.732 7.300 -13.140 1.00 0.00 C ATOM 140 C THR A 333 -9.262 7.444 -11.724 1.00 0.00 C ATOM 141 O THR A 333 -10.448 7.709 -11.520 1.00 0.00 O ATOM 142 CB THR A 333 -9.118 5.918 -13.698 1.00 0.00 C ATOM 143 OG1 THR A 333 -8.076 4.967 -13.404 1.00 0.00 O ATOM 144 CG2 THR A 333 -9.338 5.984 -15.200 1.00 0.00 C ATOM 0 H THR A 333 -6.796 6.579 -13.108 1.00 0.00 H new ATOM 0 HA THR A 333 -9.175 8.077 -13.764 1.00 0.00 H new ATOM 0 HB THR A 333 -10.048 5.603 -13.225 1.00 0.00 H new ATOM 0 HG1 THR A 333 -8.058 4.789 -12.440 1.00 0.00 H new ATOM 0 HG21 THR A 333 -9.610 4.996 -15.572 1.00 0.00 H new ATOM 0 HG22 THR A 333 -10.141 6.688 -15.420 1.00 0.00 H new ATOM 0 HG23 THR A 333 -8.421 6.316 -15.688 1.00 0.00 H new ATOM 152 N SER A 334 -8.358 7.269 -10.748 1.00 0.00 N ATOM 153 CA SER A 334 -8.674 7.369 -9.320 1.00 0.00 C ATOM 154 C SER A 334 -9.856 6.490 -8.955 1.00 0.00 C ATOM 155 O SER A 334 -10.681 6.847 -8.117 1.00 0.00 O ATOM 156 CB SER A 334 -8.900 8.842 -8.898 1.00 0.00 C ATOM 157 OG SER A 334 -9.916 9.478 -9.664 1.00 0.00 O ATOM 0 H SER A 334 -7.379 7.052 -10.933 1.00 0.00 H new ATOM 0 HA SER A 334 -7.814 7.001 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 334 -9.170 8.877 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 334 -7.967 9.395 -9.007 1.00 0.00 H new ATOM 0 HG SER A 334 -10.448 8.799 -10.129 1.00 0.00 H new ATOM 163 N ASN A 335 -9.887 5.302 -9.546 1.00 0.00 N ATOM 164 CA ASN A 335 -11.001 4.379 -9.360 1.00 0.00 C ATOM 165 C ASN A 335 -11.090 3.886 -7.919 1.00 0.00 C ATOM 166 O ASN A 335 -12.144 3.444 -7.465 1.00 0.00 O ATOM 167 CB ASN A 335 -10.888 3.185 -10.324 1.00 0.00 C ATOM 168 CG ASN A 335 -10.026 2.050 -9.783 1.00 0.00 C ATOM 169 OD1 ASN A 335 -10.535 1.124 -9.147 1.00 0.00 O ATOM 170 ND2 ASN A 335 -8.728 2.115 -10.017 1.00 0.00 N ATOM 0 H ASN A 335 -9.151 4.954 -10.160 1.00 0.00 H new ATOM 0 HA ASN A 335 -11.916 4.927 -9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -11.887 2.803 -10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -10.470 3.529 -11.270 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -8.109 1.383 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -8.344 2.897 -10.547 1.00 0.00 H new ATOM 177 N TRP A 336 -9.985 3.967 -7.203 1.00 0.00 N ATOM 178 CA TRP A 336 -9.944 3.508 -5.830 1.00 0.00 C ATOM 179 C TRP A 336 -10.080 4.681 -4.865 1.00 0.00 C ATOM 180 O TRP A 336 -10.727 4.574 -3.826 1.00 0.00 O ATOM 181 CB TRP A 336 -8.659 2.702 -5.565 1.00 0.00 C ATOM 182 CG TRP A 336 -7.386 3.422 -5.923 1.00 0.00 C ATOM 183 CD1 TRP A 336 -6.860 3.590 -7.175 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.470 4.050 -5.018 1.00 0.00 C ATOM 185 NE1 TRP A 336 -5.686 4.298 -7.100 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.422 4.588 -5.790 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.437 4.215 -3.630 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.355 5.278 -5.219 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.377 4.899 -3.067 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.350 5.424 -3.860 1.00 0.00 C ATOM 0 H TRP A 336 -9.104 4.347 -7.550 1.00 0.00 H new ATOM 0 HA TRP A 336 -10.791 2.843 -5.661 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.625 2.433 -4.509 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -8.706 1.771 -6.130 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -7.303 3.220 -8.088 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -5.104 4.565 -7.894 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.225 3.815 -3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -3.560 5.683 -5.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.340 5.031 -1.996 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.537 5.955 -3.388 1.00 0.00 H new ATOM 201 N ILE A 337 -9.505 5.809 -5.243 1.00 0.00 N ATOM 202 CA ILE A 337 -9.547 7.029 -4.437 1.00 0.00 C ATOM 203 C ILE A 337 -10.986 7.516 -4.245 1.00 0.00 C ATOM 204 O ILE A 337 -11.282 8.235 -3.297 1.00 0.00 O ATOM 205 CB ILE A 337 -8.713 8.140 -5.110 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.261 7.690 -5.231 1.00 0.00 C ATOM 207 CG2 ILE A 337 -8.809 9.446 -4.327 1.00 0.00 C ATOM 208 CD1 ILE A 337 -6.438 8.523 -6.185 1.00 0.00 C ATOM 0 H ILE A 337 -8.993 5.911 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.126 6.798 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 337 -9.113 8.322 -6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -6.798 7.722 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.239 6.651 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -8.212 10.212 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -9.849 9.768 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.434 9.292 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -5.418 8.140 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -6.875 8.472 -7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -6.427 9.559 -5.847 1.00 0.00 H new ATOM 220 N ALA A 338 -11.868 7.091 -5.151 1.00 0.00 N ATOM 221 CA ALA A 338 -13.288 7.460 -5.132 1.00 0.00 C ATOM 222 C ALA A 338 -13.882 7.438 -3.721 1.00 0.00 C ATOM 223 O ALA A 338 -14.619 8.350 -3.339 1.00 0.00 O ATOM 224 CB ALA A 338 -14.071 6.530 -6.044 1.00 0.00 C ATOM 0 H ALA A 338 -11.617 6.476 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.364 8.486 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.125 6.807 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -13.690 6.613 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -13.960 5.502 -5.698 1.00 0.00 H new ATOM 230 N ALA A 339 -13.549 6.405 -2.948 1.00 0.00 N ATOM 231 CA ALA A 339 -14.064 6.286 -1.591 1.00 0.00 C ATOM 232 C ALA A 339 -13.070 5.604 -0.655 1.00 0.00 C ATOM 233 O ALA A 339 -13.404 5.282 0.484 1.00 0.00 O ATOM 234 CB ALA A 339 -15.391 5.538 -1.592 1.00 0.00 C ATOM 0 H ALA A 339 -12.931 5.647 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.222 7.297 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.764 5.457 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -16.114 6.081 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -15.246 4.540 -2.006 1.00 0.00 H new ATOM 240 N ASN A 340 -11.846 5.394 -1.119 1.00 0.00 N ATOM 241 CA ASN A 340 -10.840 4.735 -0.281 1.00 0.00 C ATOM 242 C ASN A 340 -9.809 5.727 0.192 1.00 0.00 C ATOM 243 O ASN A 340 -9.066 5.474 1.139 1.00 0.00 O ATOM 244 CB ASN A 340 -10.159 3.577 -1.022 1.00 0.00 C ATOM 245 CG ASN A 340 -11.099 2.411 -1.260 1.00 0.00 C ATOM 246 OD1 ASN A 340 -11.233 1.523 -0.422 1.00 0.00 O ATOM 247 ND2 ASN A 340 -11.745 2.402 -2.410 1.00 0.00 N ATOM 0 H ASN A 340 -11.525 5.662 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 340 -11.357 4.322 0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.779 3.935 -1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -9.299 3.235 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -12.384 1.638 -2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.606 3.159 -3.079 1.00 0.00 H new ATOM 254 N THR A 341 -9.779 6.855 -0.462 1.00 0.00 N ATOM 255 CA THR A 341 -8.854 7.904 -0.138 1.00 0.00 C ATOM 256 C THR A 341 -9.579 9.240 -0.199 1.00 0.00 C ATOM 257 O THR A 341 -10.665 9.324 -0.767 1.00 0.00 O ATOM 258 CB THR A 341 -7.680 7.915 -1.122 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.686 6.706 -1.895 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.370 8.021 -0.376 1.00 0.00 C ATOM 0 H THR A 341 -10.401 7.073 -1.241 1.00 0.00 H new ATOM 0 HA THR A 341 -8.463 7.733 0.865 1.00 0.00 H new ATOM 0 HB THR A 341 -7.786 8.776 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.764 6.431 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.545 8.028 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.356 8.943 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.263 7.168 0.295 1.00 0.00 H new ATOM 268 N LYS A 342 -9.000 10.269 0.384 1.00 0.00 N ATOM 269 CA LYS A 342 -9.632 11.579 0.385 1.00 0.00 C ATOM 270 C LYS A 342 -8.605 12.665 0.168 1.00 0.00 C ATOM 271 O LYS A 342 -7.423 12.377 -0.053 1.00 0.00 O ATOM 272 CB LYS A 342 -10.422 11.822 1.684 1.00 0.00 C ATOM 273 CG LYS A 342 -11.545 10.818 1.906 1.00 0.00 C ATOM 274 CD LYS A 342 -12.528 11.265 2.985 1.00 0.00 C ATOM 275 CE LYS A 342 -11.851 11.483 4.327 1.00 0.00 C ATOM 276 NZ LYS A 342 -12.843 11.598 5.423 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.099 10.228 0.861 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.342 11.607 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.736 11.782 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.843 12.827 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.083 10.667 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.117 9.856 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -13.013 12.189 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.311 10.515 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.174 10.654 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.244 12.388 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.383 11.993 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.618 12.225 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.225 10.657 5.645 1.00 0.00 H new ATOM 290 N GLU A 343 -9.043 13.899 0.229 1.00 0.00 N ATOM 291 CA GLU A 343 -8.167 15.021 -0.005 1.00 0.00 C ATOM 292 C GLU A 343 -8.132 15.949 1.192 1.00 0.00 C ATOM 293 O GLU A 343 -8.947 15.829 2.112 1.00 0.00 O ATOM 294 CB GLU A 343 -8.609 15.787 -1.254 1.00 0.00 C ATOM 295 CG GLU A 343 -8.638 14.931 -2.508 1.00 0.00 C ATOM 296 CD GLU A 343 -9.199 15.658 -3.703 1.00 0.00 C ATOM 297 OE1 GLU A 343 -10.425 15.884 -3.750 1.00 0.00 O ATOM 298 OE2 GLU A 343 -8.421 15.992 -4.620 1.00 0.00 O1- ATOM 0 H GLU A 343 -10.008 14.153 0.440 1.00 0.00 H new ATOM 0 HA GLU A 343 -7.160 14.634 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.602 16.203 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.934 16.628 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.626 14.595 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -9.235 14.039 -2.319 1.00 0.00 H new ATOM 305 N CYS A 344 -7.177 16.859 1.180 1.00 0.00 N ATOM 306 CA CYS A 344 -7.021 17.833 2.234 1.00 0.00 C ATOM 307 C CYS A 344 -8.124 18.877 2.154 1.00 0.00 C ATOM 308 O CYS A 344 -8.397 19.419 1.090 1.00 0.00 O ATOM 309 CB CYS A 344 -5.652 18.505 2.112 1.00 0.00 C ATOM 310 SG CYS A 344 -5.320 19.809 3.342 1.00 0.00 S ATOM 0 H CYS A 344 -6.486 16.941 0.434 1.00 0.00 H new ATOM 0 HA CYS A 344 -7.090 17.329 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.880 17.740 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.564 18.936 1.115 1.00 0.00 H new ATOM 315 N PRO A 345 -8.764 19.181 3.280 1.00 0.00 N ATOM 316 CA PRO A 345 -9.823 20.181 3.333 1.00 0.00 C ATOM 317 C PRO A 345 -9.266 21.607 3.316 1.00 0.00 C ATOM 318 O PRO A 345 -9.997 22.578 3.538 1.00 0.00 O ATOM 319 CB PRO A 345 -10.525 19.884 4.658 1.00 0.00 C ATOM 320 CG PRO A 345 -9.475 19.264 5.517 1.00 0.00 C ATOM 321 CD PRO A 345 -8.515 18.561 4.591 1.00 0.00 C ATOM 0 HA PRO A 345 -10.487 20.127 2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -10.918 20.795 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.369 19.209 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -8.959 20.023 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -9.918 18.560 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.481 18.700 4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.699 17.487 4.566 1.00 0.00 H new ATOM 329 N LYS A 346 -7.973 21.727 3.072 1.00 0.00 N ATOM 330 CA LYS A 346 -7.331 23.013 3.002 1.00 0.00 C ATOM 331 C LYS A 346 -6.786 23.291 1.600 1.00 0.00 C ATOM 332 O LYS A 346 -7.106 24.316 1.000 1.00 0.00 O ATOM 333 CB LYS A 346 -6.233 23.126 4.070 1.00 0.00 C ATOM 334 CG LYS A 346 -5.131 24.110 3.721 1.00 0.00 C ATOM 335 CD LYS A 346 -4.399 24.618 4.953 1.00 0.00 C ATOM 336 CE LYS A 346 -5.302 25.469 5.835 1.00 0.00 C ATOM 337 NZ LYS A 346 -4.550 26.107 6.940 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.348 20.936 2.919 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.080 23.778 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.688 23.426 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.791 22.142 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.418 23.631 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.559 24.955 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.023 23.771 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.533 25.205 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.781 26.239 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -6.097 24.848 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -5.200 26.678 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -4.114 25.372 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.808 26.720 6.546 1.00 0.00 H new ATOM 351 N CYS A 347 -5.977 22.378 1.076 1.00 0.00 N ATOM 352 CA CYS A 347 -5.386 22.572 -0.246 1.00 0.00 C ATOM 353 C CYS A 347 -5.961 21.608 -1.280 1.00 0.00 C ATOM 354 O CYS A 347 -5.605 21.668 -2.465 1.00 0.00 O ATOM 355 CB CYS A 347 -3.864 22.442 -0.173 1.00 0.00 C ATOM 356 SG CYS A 347 -3.277 20.889 0.557 1.00 0.00 S ATOM 0 H CYS A 347 -5.717 21.506 1.537 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.640 23.580 -0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.455 22.533 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.468 23.275 0.408 1.00 0.00 H new ATOM 361 N HIS A 348 -6.842 20.720 -0.828 1.00 0.00 N ATOM 362 CA HIS A 348 -7.492 19.736 -1.696 1.00 0.00 C ATOM 363 C HIS A 348 -6.477 18.866 -2.414 1.00 0.00 C ATOM 364 O HIS A 348 -6.564 18.650 -3.626 1.00 0.00 O ATOM 365 CB HIS A 348 -8.439 20.409 -2.698 1.00 0.00 C ATOM 366 CG HIS A 348 -9.699 20.925 -2.081 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.903 20.289 -2.278 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.894 22.010 -1.293 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.795 20.994 -1.606 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.231 22.043 -0.999 1.00 0.00 N ATOM 0 H HIS A 348 -7.127 20.660 0.150 1.00 0.00 H new ATOM 0 HA HIS A 348 -8.089 19.089 -1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.916 21.235 -3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.694 19.694 -3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -9.142 22.711 -0.962 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.847 20.754 -1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -11.707 22.738 -0.424 1.00 0.00 H new ATOM 378 N VAL A 349 -5.523 18.365 -1.662 1.00 0.00 N ATOM 379 CA VAL A 349 -4.506 17.497 -2.210 1.00 0.00 C ATOM 380 C VAL A 349 -4.866 16.056 -1.891 1.00 0.00 C ATOM 381 O VAL A 349 -5.365 15.770 -0.807 1.00 0.00 O ATOM 382 CB VAL A 349 -3.089 17.832 -1.646 1.00 0.00 C ATOM 383 CG1 VAL A 349 -3.020 17.584 -0.158 1.00 0.00 C ATOM 384 CG2 VAL A 349 -2.009 17.044 -2.369 1.00 0.00 C ATOM 0 H VAL A 349 -5.430 18.546 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.468 17.648 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.910 18.893 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -2.021 17.826 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.753 18.211 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -3.236 16.535 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -1.034 17.299 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -2.190 15.977 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -2.028 17.291 -3.431 1.00 0.00 H new ATOM 394 N THR A 350 -4.646 15.162 -2.830 1.00 0.00 N ATOM 395 CA THR A 350 -4.956 13.771 -2.614 1.00 0.00 C ATOM 396 C THR A 350 -4.015 13.194 -1.570 1.00 0.00 C ATOM 397 O THR A 350 -2.816 13.055 -1.808 1.00 0.00 O ATOM 398 CB THR A 350 -4.844 12.965 -3.918 1.00 0.00 C ATOM 399 OG1 THR A 350 -5.575 13.635 -4.964 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.413 11.569 -3.730 1.00 0.00 C ATOM 0 H THR A 350 -4.255 15.375 -3.747 1.00 0.00 H new ATOM 0 HA THR A 350 -5.985 13.702 -2.261 1.00 0.00 H new ATOM 0 HB THR A 350 -3.791 12.887 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 350 -5.501 13.121 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 350 -5.326 11.012 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.859 11.053 -2.946 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.463 11.639 -3.446 1.00 0.00 H new ATOM 408 N ILE A 351 -4.553 12.887 -0.413 1.00 0.00 N ATOM 409 CA ILE A 351 -3.761 12.367 0.666 1.00 0.00 C ATOM 410 C ILE A 351 -3.946 10.870 0.739 1.00 0.00 C ATOM 411 O ILE A 351 -4.472 10.271 -0.187 1.00 0.00 O ATOM 412 CB ILE A 351 -4.153 13.013 2.018 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.571 12.602 2.414 1.00 0.00 C ATOM 414 CG2 ILE A 351 -4.043 14.536 1.943 1.00 0.00 C ATOM 415 CD1 ILE A 351 -6.105 13.335 3.617 1.00 0.00 C ATOM 0 H ILE A 351 -5.545 12.991 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.715 12.606 0.474 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.460 12.656 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.238 12.775 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.585 11.531 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.323 14.969 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -3.017 14.815 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.711 14.911 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -7.115 12.989 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.462 13.142 4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -6.125 14.405 3.412 1.00 0.00 H new ATOM 427 N GLU A 352 -3.522 10.275 1.829 1.00 0.00 N ATOM 428 CA GLU A 352 -3.669 8.853 2.015 1.00 0.00 C ATOM 429 C GLU A 352 -3.547 8.517 3.485 1.00 0.00 C ATOM 430 O GLU A 352 -2.620 8.969 4.158 1.00 0.00 O ATOM 431 CB GLU A 352 -2.630 8.085 1.210 1.00 0.00 C ATOM 432 CG GLU A 352 -2.971 6.619 1.036 1.00 0.00 C ATOM 433 CD GLU A 352 -1.874 5.853 0.342 1.00 0.00 C ATOM 434 OE1 GLU A 352 -1.752 5.960 -0.897 1.00 0.00 O1- ATOM 435 OE2 GLU A 352 -1.116 5.146 1.034 1.00 0.00 O ATOM 0 H GLU A 352 -3.070 10.759 2.605 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.655 8.557 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.528 8.546 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.662 8.170 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.159 6.174 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -3.893 6.529 0.462 1.00 0.00 H new ATOM 442 N LYS A 353 -4.491 7.756 3.982 1.00 0.00 N ATOM 443 CA LYS A 353 -4.520 7.390 5.384 1.00 0.00 C ATOM 444 C LYS A 353 -3.715 6.116 5.638 1.00 0.00 C ATOM 445 O LYS A 353 -3.652 5.228 4.786 1.00 0.00 O ATOM 446 CB LYS A 353 -5.968 7.194 5.849 1.00 0.00 C ATOM 447 CG LYS A 353 -6.120 7.054 7.354 1.00 0.00 C ATOM 448 CD LYS A 353 -5.732 8.340 8.060 1.00 0.00 C ATOM 449 CE LYS A 353 -5.711 8.164 9.558 1.00 0.00 C ATOM 450 NZ LYS A 353 -4.822 9.154 10.222 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.260 7.372 3.432 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.065 8.201 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -6.565 8.041 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.376 6.305 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.151 6.798 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -5.496 6.235 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -4.749 8.662 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -6.436 9.128 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -6.723 8.266 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -5.375 7.156 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -4.606 8.834 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -3.938 9.244 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -5.299 10.077 10.262 1.00 0.00 H new ATOM 464 N ASP A 354 -3.095 6.048 6.804 1.00 0.00 N ATOM 465 CA ASP A 354 -2.346 4.863 7.209 1.00 0.00 C ATOM 466 C ASP A 354 -3.279 3.860 7.875 1.00 0.00 C ATOM 467 O ASP A 354 -3.339 2.697 7.482 1.00 0.00 O ATOM 468 CB ASP A 354 -1.211 5.245 8.163 1.00 0.00 C ATOM 469 CG ASP A 354 -0.557 4.039 8.812 1.00 0.00 C ATOM 470 OD1 ASP A 354 0.421 3.496 8.243 1.00 0.00 O ATOM 471 OD2 ASP A 354 -1.003 3.640 9.901 1.00 0.00 O1- ATOM 0 H ASP A 354 -3.094 6.801 7.492 1.00 0.00 H new ATOM 0 HA ASP A 354 -1.910 4.406 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -0.457 5.811 7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -1.601 5.903 8.940 1.00 0.00 H new ATOM 476 N GLY A 355 -4.011 4.322 8.882 1.00 0.00 N ATOM 477 CA GLY A 355 -4.960 3.459 9.557 1.00 0.00 C ATOM 478 C GLY A 355 -4.622 3.229 11.016 1.00 0.00 C ATOM 479 O GLY A 355 -5.483 2.829 11.801 1.00 0.00 O ATOM 0 H GLY A 355 -3.964 5.275 9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -5.955 3.898 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -4.998 2.498 9.043 1.00 0.00 H new ATOM 483 N GLY A 356 -3.371 3.469 11.384 1.00 0.00 N ATOM 484 CA GLY A 356 -2.952 3.270 12.763 1.00 0.00 C ATOM 485 C GLY A 356 -3.535 4.301 13.712 1.00 0.00 C ATOM 486 O GLY A 356 -3.856 3.991 14.859 1.00 0.00 O ATOM 0 H GLY A 356 -2.638 3.797 10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -3.252 2.274 13.088 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -1.864 3.309 12.816 1.00 0.00 H new ATOM 490 N SER A 357 -3.670 5.518 13.241 1.00 0.00 N ATOM 491 CA SER A 357 -4.193 6.590 14.050 1.00 0.00 C ATOM 492 C SER A 357 -5.296 7.327 13.309 1.00 0.00 C ATOM 493 O SER A 357 -5.683 6.941 12.210 1.00 0.00 O ATOM 494 CB SER A 357 -3.068 7.550 14.390 1.00 0.00 C ATOM 495 OG SER A 357 -2.498 8.093 13.209 1.00 0.00 O ATOM 0 H SER A 357 -3.421 5.791 12.290 1.00 0.00 H new ATOM 0 HA SER A 357 -4.613 6.175 14.966 1.00 0.00 H new ATOM 0 HB2 SER A 357 -3.448 8.355 15.020 1.00 0.00 H new ATOM 0 HB3 SER A 357 -2.301 7.031 14.964 1.00 0.00 H new ATOM 0 HG SER A 357 -1.776 8.711 13.448 1.00 0.00 H new ATOM 501 N ASN A 358 -5.793 8.384 13.911 1.00 0.00 N ATOM 502 CA ASN A 358 -6.809 9.214 13.301 1.00 0.00 C ATOM 503 C ASN A 358 -6.195 10.527 12.911 1.00 0.00 C ATOM 504 O ASN A 358 -6.695 11.225 12.026 1.00 0.00 O ATOM 505 CB ASN A 358 -7.977 9.435 14.263 1.00 0.00 C ATOM 506 CG ASN A 358 -8.683 8.143 14.618 1.00 0.00 C ATOM 507 OD1 ASN A 358 -8.332 7.475 15.584 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.683 7.783 13.840 1.00 0.00 N ATOM 0 H ASN A 358 -5.504 8.693 14.839 1.00 0.00 H new ATOM 0 HA ASN A 358 -7.199 8.714 12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.610 9.908 15.174 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.691 10.124 13.812 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.195 6.922 14.033 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -9.946 8.365 13.045 1.00 0.00 H new ATOM 515 N HIS A 359 -5.080 10.838 13.557 1.00 0.00 N ATOM 516 CA HIS A 359 -4.332 12.047 13.293 1.00 0.00 C ATOM 517 C HIS A 359 -3.760 12.007 11.878 1.00 0.00 C ATOM 518 O HIS A 359 -2.733 11.388 11.626 1.00 0.00 O ATOM 519 CB HIS A 359 -3.200 12.187 14.320 1.00 0.00 C ATOM 520 CG HIS A 359 -2.573 13.549 14.390 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.948 13.976 15.532 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.491 14.526 13.450 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.503 15.186 15.271 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.805 15.562 14.026 1.00 0.00 N ATOM 0 H HIS A 359 -4.671 10.250 14.283 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.996 12.907 13.377 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.590 11.932 15.305 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -2.424 11.458 14.085 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.888 14.492 12.446 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.961 15.799 15.976 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.569 16.452 13.587 1.00 0.00 H new ATOM 532 N MET A 360 -4.473 12.602 10.963 1.00 0.00 N ATOM 533 CA MET A 360 -4.043 12.681 9.574 1.00 0.00 C ATOM 534 C MET A 360 -3.326 14.002 9.284 1.00 0.00 C ATOM 535 O MET A 360 -3.846 15.085 9.557 1.00 0.00 O ATOM 536 CB MET A 360 -5.246 12.481 8.636 1.00 0.00 C ATOM 537 CG MET A 360 -5.133 13.172 7.280 1.00 0.00 C ATOM 538 SD MET A 360 -3.773 12.562 6.267 1.00 0.00 S ATOM 539 CE MET A 360 -4.361 10.933 5.855 1.00 0.00 C ATOM 0 H MET A 360 -5.371 13.050 11.148 1.00 0.00 H new ATOM 0 HA MET A 360 -3.325 11.881 9.392 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.384 11.412 8.471 1.00 0.00 H new ATOM 0 HB3 MET A 360 -6.143 12.845 9.138 1.00 0.00 H new ATOM 0 HG2 MET A 360 -6.068 13.039 6.735 1.00 0.00 H new ATOM 0 HG3 MET A 360 -5.005 14.243 7.437 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.609 10.194 6.132 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.285 10.732 6.398 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.550 10.875 4.783 1.00 0.00 H new ATOM 549 N VAL A 361 -2.127 13.893 8.749 1.00 0.00 N ATOM 550 CA VAL A 361 -1.340 15.054 8.380 1.00 0.00 C ATOM 551 C VAL A 361 -1.225 15.131 6.860 1.00 0.00 C ATOM 552 O VAL A 361 -0.893 14.128 6.199 1.00 0.00 O ATOM 553 CB VAL A 361 0.079 15.004 9.001 1.00 0.00 C ATOM 554 CG1 VAL A 361 0.855 16.278 8.684 1.00 0.00 C ATOM 555 CG2 VAL A 361 -0.001 14.785 10.505 1.00 0.00 C ATOM 0 H VAL A 361 -1.671 13.001 8.558 1.00 0.00 H new ATOM 0 HA VAL A 361 -1.847 15.939 8.765 1.00 0.00 H new ATOM 0 HB VAL A 361 0.613 14.163 8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 361 1.848 16.220 9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 361 0.949 16.388 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 361 0.324 17.138 9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 361 1.006 14.753 10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -0.558 15.603 10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -0.508 13.842 10.709 1.00 0.00 H new ATOM 565 N CYS A 362 -1.511 16.311 6.310 1.00 0.00 N ATOM 566 CA CYS A 362 -1.465 16.551 4.869 1.00 0.00 C ATOM 567 C CYS A 362 -0.120 16.142 4.274 1.00 0.00 C ATOM 568 O CYS A 362 0.909 16.145 4.956 1.00 0.00 O ATOM 569 CB CYS A 362 -1.741 18.024 4.573 1.00 0.00 C ATOM 570 SG CYS A 362 -1.862 18.431 2.808 1.00 0.00 S ATOM 0 H CYS A 362 -1.782 17.130 6.854 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.237 15.937 4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.671 18.311 5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -0.948 18.625 5.017 1.00 0.00 H new ATOM 575 N ARG A 363 -0.140 15.808 3.000 1.00 0.00 N ATOM 576 CA ARG A 363 1.057 15.364 2.304 1.00 0.00 C ATOM 577 C ARG A 363 1.735 16.551 1.662 1.00 0.00 C ATOM 578 O ARG A 363 2.958 16.581 1.502 1.00 0.00 O ATOM 579 CB ARG A 363 0.699 14.363 1.208 1.00 0.00 C ATOM 580 CG ARG A 363 -0.492 13.469 1.533 1.00 0.00 C ATOM 581 CD ARG A 363 -0.254 12.611 2.768 1.00 0.00 C ATOM 582 NE ARG A 363 0.797 11.619 2.550 1.00 0.00 N ATOM 583 CZ ARG A 363 1.016 10.561 3.337 1.00 0.00 C ATOM 584 NH1 ARG A 363 0.261 10.358 4.414 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 1.991 9.714 3.047 1.00 0.00 N ATOM 0 H ARG A 363 -0.978 15.835 2.419 1.00 0.00 H new ATOM 0 HA ARG A 363 1.720 14.889 3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.487 14.910 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.567 13.733 1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.376 14.088 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.701 12.823 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 363 0.020 13.251 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.180 12.105 3.042 1.00 0.00 H new ATOM 0 HE ARG A 363 1.406 11.743 1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 363 -0.489 11.011 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 363 0.432 9.549 5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.574 9.869 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 363 2.160 8.906 3.646 1.00 0.00 H new ATOM 599 N ASN A 364 0.923 17.529 1.295 1.00 0.00 N ATOM 600 CA ASN A 364 1.399 18.726 0.638 1.00 0.00 C ATOM 601 C ASN A 364 2.365 19.480 1.530 1.00 0.00 C ATOM 602 O ASN A 364 2.012 19.917 2.618 1.00 0.00 O ATOM 603 CB ASN A 364 0.206 19.607 0.239 1.00 0.00 C ATOM 604 CG ASN A 364 0.601 20.901 -0.443 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.696 21.028 -0.994 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.306 21.857 -0.436 1.00 0.00 N ATOM 0 H ASN A 364 -0.086 17.511 1.446 1.00 0.00 H new ATOM 0 HA ASN A 364 1.940 18.445 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.445 19.041 -0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.375 19.840 1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.114 22.745 -0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.200 21.709 0.033 1.00 0.00 H new ATOM 613 N GLN A 365 3.594 19.615 1.059 1.00 0.00 N ATOM 614 CA GLN A 365 4.646 20.311 1.802 1.00 0.00 C ATOM 615 C GLN A 365 4.364 21.805 1.895 1.00 0.00 C ATOM 616 O GLN A 365 4.988 22.522 2.672 1.00 0.00 O ATOM 617 CB GLN A 365 6.016 20.077 1.171 1.00 0.00 C ATOM 618 CG GLN A 365 6.021 20.141 -0.347 1.00 0.00 C ATOM 619 CD GLN A 365 5.971 18.762 -0.988 1.00 0.00 C ATOM 620 OE1 GLN A 365 5.382 17.799 -0.295 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 6.476 18.564 -2.087 1.00 0.00 N flip ATOM 0 H GLN A 365 3.895 19.249 0.156 1.00 0.00 H new ATOM 0 HA GLN A 365 4.653 19.898 2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.713 20.820 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.386 19.100 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 365 5.166 20.727 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.918 20.662 -0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 365 6.921 19.332 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 365 6.452 17.631 -2.499 1.00 0.00 H new ATOM 630 N ASN A 366 3.434 22.264 1.094 1.00 0.00 N ATOM 631 CA ASN A 366 3.025 23.659 1.104 1.00 0.00 C ATOM 632 C ASN A 366 1.814 23.815 2.013 1.00 0.00 C ATOM 633 O ASN A 366 1.152 24.855 2.026 1.00 0.00 O ATOM 634 CB ASN A 366 2.668 24.127 -0.314 1.00 0.00 C ATOM 635 CG ASN A 366 3.770 23.867 -1.322 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.687 24.666 -1.481 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.674 22.754 -2.026 1.00 0.00 N ATOM 0 H ASN A 366 2.936 21.687 0.416 1.00 0.00 H new ATOM 0 HA ASN A 366 3.850 24.269 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.759 23.620 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 366 2.448 25.194 -0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 366 4.378 22.534 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.896 22.114 -1.865 1.00 0.00 H new ATOM 644 N CYS A 367 1.537 22.769 2.777 1.00 0.00 N ATOM 645 CA CYS A 367 0.392 22.736 3.655 1.00 0.00 C ATOM 646 C CYS A 367 0.750 22.073 4.976 1.00 0.00 C ATOM 647 O CYS A 367 1.018 22.757 5.969 1.00 0.00 O ATOM 648 CB CYS A 367 -0.739 21.973 2.976 1.00 0.00 C ATOM 649 SG CYS A 367 -2.289 21.895 3.925 1.00 0.00 S ATOM 0 H CYS A 367 2.104 21.922 2.801 1.00 0.00 H new ATOM 0 HA CYS A 367 0.072 23.757 3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -0.944 22.438 2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.402 20.956 2.774 1.00 0.00 H new ATOM 654 N LYS A 368 0.796 20.735 4.969 1.00 0.00 N ATOM 655 CA LYS A 368 1.090 19.947 6.168 1.00 0.00 C ATOM 656 C LYS A 368 0.051 20.214 7.250 1.00 0.00 C ATOM 657 O LYS A 368 0.366 20.230 8.443 1.00 0.00 O ATOM 658 CB LYS A 368 2.486 20.272 6.684 1.00 0.00 C ATOM 659 CG LYS A 368 3.577 20.046 5.661 1.00 0.00 C ATOM 660 CD LYS A 368 4.754 20.985 5.875 1.00 0.00 C ATOM 661 CE LYS A 368 4.352 22.447 5.662 1.00 0.00 C ATOM 662 NZ LYS A 368 3.951 23.130 6.926 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.631 20.172 4.135 1.00 0.00 H new ATOM 0 HA LYS A 368 1.052 18.890 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.512 21.313 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 368 2.691 19.661 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 368 3.921 19.013 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.172 20.192 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 368 5.144 20.857 6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.559 20.724 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 368 5.186 22.986 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.525 22.491 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 2.933 23.342 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 4.153 22.509 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 4.486 24.016 7.027 1.00 0.00 H new ATOM 676 N ALA A 369 -1.180 20.435 6.824 1.00 0.00 N ATOM 677 CA ALA A 369 -2.274 20.681 7.740 1.00 0.00 C ATOM 678 C ALA A 369 -2.585 19.432 8.551 1.00 0.00 C ATOM 679 O ALA A 369 -2.654 18.327 8.012 1.00 0.00 O ATOM 680 CB ALA A 369 -3.511 21.140 6.979 1.00 0.00 C ATOM 0 H ALA A 369 -1.446 20.449 5.839 1.00 0.00 H new ATOM 0 HA ALA A 369 -1.975 21.472 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -4.324 21.321 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -3.286 22.060 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.809 20.368 6.270 1.00 0.00 H new ATOM 686 N GLU A 370 -2.746 19.610 9.841 1.00 0.00 N ATOM 687 CA GLU A 370 -3.083 18.515 10.722 1.00 0.00 C ATOM 688 C GLU A 370 -4.573 18.513 10.975 1.00 0.00 C ATOM 689 O GLU A 370 -5.099 19.408 11.641 1.00 0.00 O ATOM 690 CB GLU A 370 -2.326 18.640 12.039 1.00 0.00 C ATOM 691 CG GLU A 370 -0.818 18.594 11.886 1.00 0.00 C ATOM 692 CD GLU A 370 -0.109 18.762 13.203 1.00 0.00 C ATOM 693 OE1 GLU A 370 -0.180 17.839 14.037 1.00 0.00 O1- ATOM 694 OE2 GLU A 370 0.504 19.825 13.423 1.00 0.00 O ATOM 0 H GLU A 370 -2.648 20.512 10.308 1.00 0.00 H new ATOM 0 HA GLU A 370 -2.796 17.576 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.604 19.578 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -2.639 17.836 12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -0.529 17.643 11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.500 19.380 11.201 1.00 0.00 H new ATOM 701 N PHE A 371 -5.255 17.532 10.441 1.00 0.00 N ATOM 702 CA PHE A 371 -6.694 17.463 10.573 1.00 0.00 C ATOM 703 C PHE A 371 -7.165 16.058 10.873 1.00 0.00 C ATOM 704 O PHE A 371 -6.438 15.077 10.666 1.00 0.00 O ATOM 705 CB PHE A 371 -7.384 18.002 9.304 1.00 0.00 C ATOM 706 CG PHE A 371 -6.902 17.387 8.017 1.00 0.00 C ATOM 707 CD1 PHE A 371 -5.811 17.918 7.348 1.00 0.00 C ATOM 708 CD2 PHE A 371 -7.543 16.286 7.475 1.00 0.00 C ATOM 709 CE1 PHE A 371 -5.367 17.363 6.167 1.00 0.00 C ATOM 710 CE2 PHE A 371 -7.102 15.727 6.293 1.00 0.00 C ATOM 711 CZ PHE A 371 -6.012 16.267 5.640 1.00 0.00 C ATOM 0 H PHE A 371 -4.839 16.767 9.909 1.00 0.00 H new ATOM 0 HA PHE A 371 -6.972 18.092 11.419 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.457 17.834 9.391 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -7.233 19.080 9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -5.302 18.778 7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -8.396 15.861 7.982 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -4.515 17.787 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -7.609 14.868 5.879 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.665 15.829 4.715 1.00 0.00 H new ATOM 721 N CYS A 372 -8.374 15.962 11.366 1.00 0.00 N ATOM 722 CA CYS A 372 -8.971 14.694 11.651 1.00 0.00 C ATOM 723 C CYS A 372 -9.506 14.105 10.373 1.00 0.00 C ATOM 724 O CYS A 372 -10.472 14.596 9.824 1.00 0.00 O ATOM 725 CB CYS A 372 -10.099 14.851 12.665 1.00 0.00 C ATOM 726 SG CYS A 372 -10.917 13.281 13.135 1.00 0.00 S ATOM 0 H CYS A 372 -8.967 16.764 11.579 1.00 0.00 H new ATOM 0 HA CYS A 372 -8.219 14.030 12.076 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -9.701 15.322 13.564 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -10.848 15.528 12.255 1.00 0.00 H new ATOM 731 N TRP A 373 -8.854 13.077 9.895 1.00 0.00 N ATOM 732 CA TRP A 373 -9.258 12.397 8.673 1.00 0.00 C ATOM 733 C TRP A 373 -10.728 11.952 8.720 1.00 0.00 C ATOM 734 O TRP A 373 -11.420 11.962 7.698 1.00 0.00 O ATOM 735 CB TRP A 373 -8.337 11.191 8.446 1.00 0.00 C ATOM 736 CG TRP A 373 -8.901 10.128 7.560 1.00 0.00 C ATOM 737 CD1 TRP A 373 -9.750 9.137 7.932 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.649 9.939 6.167 1.00 0.00 C ATOM 739 NE1 TRP A 373 -10.041 8.338 6.865 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.381 8.807 5.765 1.00 0.00 C ATOM 741 CE3 TRP A 373 -7.878 10.613 5.222 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.363 8.334 4.457 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.863 10.143 3.925 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.600 9.015 3.554 1.00 0.00 C ATOM 0 H TRP A 373 -8.025 12.680 10.337 1.00 0.00 H new ATOM 0 HA TRP A 373 -9.167 13.097 7.842 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.400 11.544 8.015 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -8.097 10.748 9.413 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -10.140 9.000 8.930 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -10.653 7.522 6.885 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.304 11.485 5.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -9.931 7.462 4.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.270 10.657 3.182 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.565 8.675 2.530 1.00 0.00 H new ATOM 755 N VAL A 374 -11.188 11.582 9.907 1.00 0.00 N ATOM 756 CA VAL A 374 -12.536 11.052 10.092 1.00 0.00 C ATOM 757 C VAL A 374 -13.608 12.043 9.641 1.00 0.00 C ATOM 758 O VAL A 374 -14.386 11.757 8.731 1.00 0.00 O ATOM 759 CB VAL A 374 -12.781 10.672 11.566 1.00 0.00 C ATOM 760 CG1 VAL A 374 -14.144 10.012 11.742 1.00 0.00 C ATOM 761 CG2 VAL A 374 -11.672 9.762 12.065 1.00 0.00 C ATOM 0 H VAL A 374 -10.642 11.639 10.767 1.00 0.00 H new ATOM 0 HA VAL A 374 -12.609 10.160 9.469 1.00 0.00 H new ATOM 0 HB VAL A 374 -12.775 11.585 12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -14.291 9.754 12.791 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -14.926 10.702 11.425 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -14.191 9.107 11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -11.857 9.501 13.107 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -11.647 8.854 11.462 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.715 10.277 11.984 1.00 0.00 H new ATOM 771 N CYS A 375 -13.638 13.203 10.266 1.00 0.00 N ATOM 772 CA CYS A 375 -14.638 14.207 9.949 1.00 0.00 C ATOM 773 C CYS A 375 -14.070 15.292 9.044 1.00 0.00 C ATOM 774 O CYS A 375 -14.784 16.228 8.666 1.00 0.00 O ATOM 775 CB CYS A 375 -15.186 14.818 11.242 1.00 0.00 C ATOM 776 SG CYS A 375 -13.905 15.305 12.447 1.00 0.00 S ATOM 0 H CYS A 375 -12.981 13.475 10.997 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.451 13.722 9.408 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -15.783 15.694 10.991 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -15.857 14.100 11.713 1.00 0.00 H new ATOM 781 N LEU A 376 -12.792 15.152 8.692 1.00 0.00 N ATOM 782 CA LEU A 376 -12.083 16.152 7.876 1.00 0.00 C ATOM 783 C LEU A 376 -12.145 17.533 8.522 1.00 0.00 C ATOM 784 O LEU A 376 -12.244 18.560 7.837 1.00 0.00 O ATOM 785 CB LEU A 376 -12.617 16.191 6.434 1.00 0.00 C ATOM 786 CG LEU A 376 -12.155 15.055 5.519 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.731 15.232 4.126 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.634 14.994 5.458 1.00 0.00 C ATOM 0 H LEU A 376 -12.219 14.352 8.959 1.00 0.00 H new ATOM 0 HA LEU A 376 -11.037 15.850 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.706 16.182 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -12.321 17.138 5.983 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.519 14.114 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.394 14.416 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.820 15.225 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -12.394 16.182 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.329 14.179 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -10.247 15.936 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -10.236 14.823 6.458 1.00 0.00 H new ATOM 800 N GLY A 377 -12.078 17.550 9.843 1.00 0.00 N ATOM 801 CA GLY A 377 -12.098 18.794 10.572 1.00 0.00 C ATOM 802 C GLY A 377 -10.790 19.043 11.283 1.00 0.00 C ATOM 803 O GLY A 377 -9.845 18.285 11.118 1.00 0.00 O ATOM 0 H GLY A 377 -12.010 16.715 10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.301 19.616 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -12.910 18.777 11.299 1.00 0.00 H new ATOM 807 N PRO A 378 -10.714 20.094 12.093 1.00 0.00 N ATOM 808 CA PRO A 378 -9.494 20.437 12.825 1.00 0.00 C ATOM 809 C PRO A 378 -9.186 19.412 13.915 1.00 0.00 C ATOM 810 O PRO A 378 -10.081 18.974 14.631 1.00 0.00 O ATOM 811 CB PRO A 378 -9.820 21.801 13.440 1.00 0.00 C ATOM 812 CG PRO A 378 -11.310 21.831 13.531 1.00 0.00 C ATOM 813 CD PRO A 378 -11.816 21.018 12.378 1.00 0.00 C ATOM 0 HA PRO A 378 -8.613 20.452 12.184 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -9.361 21.912 14.423 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -9.445 22.615 12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.650 21.415 14.479 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.683 22.854 13.479 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.730 20.483 12.636 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -12.046 21.645 11.516 1.00 0.00 H new ATOM 821 N TRP A 379 -7.928 19.031 14.034 1.00 0.00 N ATOM 822 CA TRP A 379 -7.514 18.043 15.019 1.00 0.00 C ATOM 823 C TRP A 379 -7.462 18.635 16.431 1.00 0.00 C ATOM 824 O TRP A 379 -7.595 17.914 17.411 1.00 0.00 O ATOM 825 CB TRP A 379 -6.151 17.443 14.645 1.00 0.00 C ATOM 826 CG TRP A 379 -5.679 16.409 15.619 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.734 16.567 16.593 1.00 0.00 C ATOM 828 CD2 TRP A 379 -6.151 15.063 15.732 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.585 15.400 17.296 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.443 14.460 16.786 1.00 0.00 C ATOM 831 CE3 TRP A 379 -7.101 14.308 15.039 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.656 13.138 17.167 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -7.313 12.999 15.419 1.00 0.00 C ATOM 834 CH2 TRP A 379 -6.594 12.427 16.474 1.00 0.00 C ATOM 0 H TRP A 379 -7.168 19.392 13.457 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.262 17.251 15.018 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -6.217 16.996 13.653 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.412 18.242 14.586 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -4.185 17.478 16.781 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.940 15.254 18.073 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -7.658 14.741 14.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -5.101 12.692 17.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -8.046 12.406 14.893 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -6.785 11.400 16.747 1.00 0.00 H new ATOM 845 N GLU A 380 -7.278 19.950 16.525 1.00 0.00 N ATOM 846 CA GLU A 380 -7.191 20.636 17.826 1.00 0.00 C ATOM 847 C GLU A 380 -8.337 20.243 18.809 1.00 0.00 C ATOM 848 O GLU A 380 -8.061 19.866 19.952 1.00 0.00 O ATOM 849 CB GLU A 380 -7.125 22.158 17.640 1.00 0.00 C ATOM 850 CG GLU A 380 -5.841 22.642 16.981 1.00 0.00 C ATOM 851 CD GLU A 380 -4.612 22.342 17.814 1.00 0.00 C ATOM 852 OE1 GLU A 380 -4.471 22.933 18.905 1.00 0.00 O1- ATOM 853 OE2 GLU A 380 -3.783 21.510 17.391 1.00 0.00 O ATOM 0 H GLU A 380 -7.185 20.568 15.719 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.264 20.297 18.288 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -7.975 22.478 17.037 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -7.226 22.638 18.613 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -5.738 22.170 16.004 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -5.907 23.717 16.810 1.00 0.00 H new ATOM 860 N PRO A 381 -9.638 20.327 18.389 1.00 0.00 N ATOM 861 CA PRO A 381 -10.775 19.930 19.249 1.00 0.00 C ATOM 862 C PRO A 381 -10.872 18.405 19.478 1.00 0.00 C ATOM 863 O PRO A 381 -11.841 17.924 20.061 1.00 0.00 O ATOM 864 CB PRO A 381 -12.001 20.420 18.471 1.00 0.00 C ATOM 865 CG PRO A 381 -11.555 20.484 17.057 1.00 0.00 C ATOM 866 CD PRO A 381 -10.104 20.865 17.095 1.00 0.00 C ATOM 0 HA PRO A 381 -10.675 20.354 20.248 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.843 19.738 18.589 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -12.330 21.397 18.826 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -11.693 19.523 16.561 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.136 21.217 16.498 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -9.554 20.432 16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -9.971 21.945 17.039 1.00 0.00 H new ATOM 874 N HIS A 382 -9.880 17.661 19.017 1.00 0.00 N ATOM 875 CA HIS A 382 -9.866 16.216 19.194 1.00 0.00 C ATOM 876 C HIS A 382 -8.888 15.818 20.281 1.00 0.00 C ATOM 877 O HIS A 382 -7.722 15.511 20.006 1.00 0.00 O ATOM 878 CB HIS A 382 -9.506 15.498 17.888 1.00 0.00 C ATOM 879 CG HIS A 382 -10.554 15.589 16.827 1.00 0.00 C ATOM 880 ND1 HIS A 382 -10.711 16.668 15.990 1.00 0.00 N ATOM 881 CD2 HIS A 382 -11.504 14.698 16.468 1.00 0.00 C ATOM 882 CE1 HIS A 382 -11.728 16.407 15.164 1.00 0.00 C ATOM 883 NE2 HIS A 382 -12.250 15.220 15.411 1.00 0.00 N ATOM 0 H HIS A 382 -9.073 18.033 18.517 1.00 0.00 H new ATOM 0 HA HIS A 382 -10.871 15.914 19.490 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -8.577 15.917 17.501 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.316 14.447 18.105 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -10.149 17.519 15.998 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -11.661 13.733 16.927 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -12.077 17.079 14.395 1.00 0.00 H new ATOM 891 N GLY A 383 -9.346 15.839 21.510 1.00 0.00 N ATOM 892 CA GLY A 383 -8.496 15.464 22.610 1.00 0.00 C ATOM 893 C GLY A 383 -9.127 15.735 23.951 1.00 0.00 C ATOM 894 O GLY A 383 -9.702 14.838 24.569 1.00 0.00 O ATOM 0 H GLY A 383 -10.294 16.110 21.770 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -8.256 14.403 22.533 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -7.555 16.009 22.539 1.00 0.00 H new ATOM 898 N SER A 384 -9.043 16.971 24.393 1.00 0.00 N ATOM 899 CA SER A 384 -9.558 17.345 25.691 1.00 0.00 C ATOM 900 C SER A 384 -10.623 18.438 25.549 1.00 0.00 C ATOM 901 O SER A 384 -10.891 19.193 26.483 1.00 0.00 O ATOM 902 CB SER A 384 -8.397 17.836 26.572 1.00 0.00 C ATOM 903 OG SER A 384 -8.724 17.786 27.952 1.00 0.00 O ATOM 0 H SER A 384 -8.620 17.737 23.869 1.00 0.00 H new ATOM 0 HA SER A 384 -10.024 16.478 26.159 1.00 0.00 H new ATOM 0 HB2 SER A 384 -7.515 17.223 26.385 1.00 0.00 H new ATOM 0 HB3 SER A 384 -8.139 18.859 26.297 1.00 0.00 H new ATOM 0 HG SER A 384 -9.586 18.228 28.100 1.00 0.00 H new ATOM 909 N ALA A 385 -11.244 18.501 24.383 1.00 0.00 N ATOM 910 CA ALA A 385 -12.253 19.510 24.112 1.00 0.00 C ATOM 911 C ALA A 385 -13.660 18.941 24.246 1.00 0.00 C ATOM 912 O ALA A 385 -13.841 17.741 24.444 1.00 0.00 O ATOM 913 CB ALA A 385 -12.053 20.101 22.725 1.00 0.00 C ATOM 0 H ALA A 385 -11.066 17.863 23.607 1.00 0.00 H new ATOM 0 HA ALA A 385 -12.140 20.301 24.854 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -12.817 20.855 22.537 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -11.067 20.561 22.664 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -12.132 19.311 21.978 1.00 0.00 H new ATOM 919 N TRP A 386 -14.647 19.820 24.131 1.00 0.00 N ATOM 920 CA TRP A 386 -16.059 19.441 24.206 1.00 0.00 C ATOM 921 C TRP A 386 -16.443 18.567 23.014 1.00 0.00 C ATOM 922 O TRP A 386 -17.353 17.741 23.094 1.00 0.00 O ATOM 923 CB TRP A 386 -16.932 20.707 24.186 1.00 0.00 C ATOM 924 CG TRP A 386 -16.907 21.417 22.854 1.00 0.00 C ATOM 925 CD1 TRP A 386 -15.895 22.180 22.344 1.00 0.00 C ATOM 926 CD2 TRP A 386 -17.938 21.405 21.856 1.00 0.00 C ATOM 927 NE1 TRP A 386 -16.229 22.639 21.101 1.00 0.00 N ATOM 928 CE2 TRP A 386 -17.479 22.181 20.775 1.00 0.00 C ATOM 929 CE3 TRP A 386 -19.202 20.815 21.773 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -18.234 22.380 19.629 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -19.953 21.012 20.630 1.00 0.00 C ATOM 932 CH2 TRP A 386 -19.467 21.789 19.572 1.00 0.00 C ATOM 0 H TRP A 386 -14.495 20.818 23.983 1.00 0.00 H new ATOM 0 HA TRP A 386 -16.218 18.884 25.129 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -17.960 20.437 24.429 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -16.590 21.391 24.963 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -14.965 22.390 22.851 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -15.642 23.228 20.510 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -19.585 20.217 22.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -17.862 22.980 18.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -20.930 20.559 20.552 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -20.078 21.925 18.692 1.00 0.00 H new ATOM 943 N TYR A 387 -15.742 18.775 21.919 1.00 0.00 N ATOM 944 CA TYR A 387 -16.019 18.110 20.669 1.00 0.00 C ATOM 945 C TYR A 387 -15.626 16.645 20.723 1.00 0.00 C ATOM 946 O TYR A 387 -14.501 16.302 21.096 1.00 0.00 O ATOM 947 CB TYR A 387 -15.269 18.823 19.553 1.00 0.00 C ATOM 948 CG TYR A 387 -15.537 18.283 18.164 1.00 0.00 C ATOM 949 CD1 TYR A 387 -16.724 18.562 17.503 1.00 0.00 C ATOM 950 CD2 TYR A 387 -14.592 17.509 17.511 1.00 0.00 C ATOM 951 CE1 TYR A 387 -16.957 18.084 16.227 1.00 0.00 C ATOM 952 CE2 TYR A 387 -14.819 17.027 16.244 1.00 0.00 C ATOM 953 CZ TYR A 387 -15.999 17.316 15.603 1.00 0.00 C ATOM 954 OH TYR A 387 -16.219 16.844 14.323 1.00 0.00 O ATOM 0 H TYR A 387 -14.953 19.420 21.875 1.00 0.00 H new ATOM 0 HA TYR A 387 -17.091 18.151 20.477 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -15.533 19.880 19.574 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -14.200 18.758 19.753 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -17.477 19.162 17.992 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -13.660 17.280 18.006 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -17.884 18.311 15.723 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -14.071 16.422 15.753 1.00 0.00 H new ATOM 0 HH TYR A 387 -15.393 16.450 13.973 1.00 0.00 H new ATOM 964 N ASN A 388 -16.552 15.789 20.351 1.00 0.00 N ATOM 965 CA ASN A 388 -16.297 14.365 20.330 1.00 0.00 C ATOM 966 C ASN A 388 -16.406 13.838 18.909 1.00 0.00 C ATOM 967 O ASN A 388 -17.320 14.212 18.158 1.00 0.00 O ATOM 968 CB ASN A 388 -17.272 13.612 21.264 1.00 0.00 C ATOM 969 CG ASN A 388 -18.680 13.488 20.694 1.00 0.00 C ATOM 970 OD1 ASN A 388 -19.495 14.404 20.815 1.00 0.00 O ATOM 971 ND2 ASN A 388 -18.984 12.347 20.094 1.00 0.00 N ATOM 0 H ASN A 388 -17.492 16.055 20.058 1.00 0.00 H new ATOM 0 HA ASN A 388 -15.285 14.192 20.695 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -16.878 12.615 21.461 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -17.320 14.130 22.222 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -19.919 12.204 19.713 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -18.283 11.611 20.013 1.00 0.00 H new ATOM 978 N CYS A 389 -15.465 13.010 18.529 1.00 0.00 N ATOM 979 CA CYS A 389 -15.475 12.397 17.224 1.00 0.00 C ATOM 980 C CYS A 389 -15.622 10.903 17.407 1.00 0.00 C ATOM 981 O CYS A 389 -14.741 10.267 17.985 1.00 0.00 O ATOM 982 CB CYS A 389 -14.175 12.713 16.485 1.00 0.00 C ATOM 983 SG CYS A 389 -14.209 12.373 14.693 1.00 0.00 S ATOM 0 H CYS A 389 -14.673 12.742 19.113 1.00 0.00 H new ATOM 0 HA CYS A 389 -16.304 12.785 16.632 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -13.935 13.765 16.636 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -13.368 12.134 16.935 1.00 0.00 H new ATOM 988 N ASN A 390 -16.722 10.343 16.935 1.00 0.00 N ATOM 989 CA ASN A 390 -16.995 8.914 17.117 1.00 0.00 C ATOM 990 C ASN A 390 -16.113 8.047 16.228 1.00 0.00 C ATOM 991 O ASN A 390 -16.596 7.302 15.377 1.00 0.00 O ATOM 992 CB ASN A 390 -18.475 8.595 16.888 1.00 0.00 C ATOM 993 CG ASN A 390 -19.366 9.133 17.994 1.00 0.00 C ATOM 994 OD1 ASN A 390 -18.949 9.240 19.148 1.00 0.00 O ATOM 995 ND2 ASN A 390 -20.596 9.462 17.655 1.00 0.00 N ATOM 0 H ASN A 390 -17.444 10.849 16.422 1.00 0.00 H new ATOM 0 HA ASN A 390 -16.752 8.676 18.153 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -18.791 9.018 15.934 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -18.603 7.515 16.816 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -21.241 9.820 18.360 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -20.903 9.359 16.688 1.00 0.00 H new ATOM 1002 N ARG A 391 -14.818 8.169 16.428 1.00 0.00 N ATOM 1003 CA ARG A 391 -13.847 7.385 15.709 1.00 0.00 C ATOM 1004 C ARG A 391 -13.315 6.259 16.585 1.00 0.00 C ATOM 1005 O ARG A 391 -12.746 5.288 16.097 1.00 0.00 O ATOM 1006 CB ARG A 391 -12.714 8.283 15.177 1.00 0.00 C ATOM 1007 CG ARG A 391 -12.123 9.278 16.190 1.00 0.00 C ATOM 1008 CD ARG A 391 -11.267 8.592 17.240 1.00 0.00 C ATOM 1009 NE ARG A 391 -10.649 9.539 18.163 1.00 0.00 N ATOM 1010 CZ ARG A 391 -9.443 9.366 18.713 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -8.722 8.288 18.424 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -8.961 10.274 19.546 1.00 0.00 N ATOM 0 H ARG A 391 -14.411 8.820 17.099 1.00 0.00 H new ATOM 0 HA ARG A 391 -14.332 6.927 14.847 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -11.910 7.644 14.811 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -13.090 8.844 14.321 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -11.522 10.018 15.661 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -12.933 9.818 16.681 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -11.882 7.889 17.803 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -10.489 8.010 16.746 1.00 0.00 H new ATOM 0 HE ARG A 391 -11.169 10.383 18.403 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -9.088 7.587 17.780 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -7.802 8.161 18.847 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -9.510 11.105 19.768 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -8.041 10.143 19.966 1.00 0.00 H new ATOM 1026 N TYR A 392 -13.516 6.408 17.881 1.00 0.00 N ATOM 1027 CA TYR A 392 -13.112 5.404 18.851 1.00 0.00 C ATOM 1028 C TYR A 392 -14.252 4.434 19.082 1.00 0.00 C ATOM 1029 O TYR A 392 -14.039 3.268 19.407 1.00 0.00 O ATOM 1030 CB TYR A 392 -12.699 6.073 20.171 1.00 0.00 C ATOM 1031 CG TYR A 392 -13.732 7.032 20.722 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -13.791 8.339 20.271 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -14.649 6.629 21.688 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -14.728 9.222 20.761 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -15.594 7.510 22.184 1.00 0.00 C ATOM 1036 CZ TYR A 392 -15.628 8.808 21.714 1.00 0.00 C ATOM 1037 OH TYR A 392 -16.565 9.689 22.194 1.00 0.00 O ATOM 0 H TYR A 392 -13.963 7.227 18.292 1.00 0.00 H new ATOM 0 HA TYR A 392 -12.253 4.856 18.463 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -12.503 5.299 20.913 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -11.764 6.611 20.017 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -13.089 8.673 19.521 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -14.623 5.614 22.056 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -14.755 10.238 20.397 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -16.300 7.185 22.934 1.00 0.00 H new ATOM 0 HH TYR A 392 -17.125 9.240 22.861 1.00 0.00 H new ATOM 1047 N ASN A 393 -15.458 4.934 18.906 1.00 0.00 N ATOM 1048 CA ASN A 393 -16.652 4.134 19.054 1.00 0.00 C ATOM 1049 C ASN A 393 -17.261 3.903 17.697 1.00 0.00 C ATOM 1050 O ASN A 393 -17.823 4.825 17.098 1.00 0.00 O ATOM 1051 CB ASN A 393 -17.664 4.836 19.974 1.00 0.00 C ATOM 1052 CG ASN A 393 -18.974 4.070 20.108 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -19.103 3.180 20.946 1.00 0.00 O ATOM 1054 ND2 ASN A 393 -19.956 4.424 19.299 1.00 0.00 N ATOM 0 H ASN A 393 -15.636 5.907 18.656 1.00 0.00 H new ATOM 0 HA ASN A 393 -16.388 3.178 19.506 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -17.221 4.964 20.962 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -17.870 5.833 19.585 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -20.859 3.954 19.357 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -19.811 5.168 18.616 1.00 0.00 H new ATOM 1061 N GLU A 394 -17.122 2.696 17.190 1.00 0.00 N ATOM 1062 CA GLU A 394 -17.640 2.361 15.880 1.00 0.00 C ATOM 1063 C GLU A 394 -19.158 2.382 15.892 1.00 0.00 C ATOM 1064 O GLU A 394 -19.787 1.923 16.851 1.00 0.00 O ATOM 1065 CB GLU A 394 -17.163 0.969 15.419 1.00 0.00 C ATOM 1066 CG GLU A 394 -15.834 0.508 16.008 1.00 0.00 C ATOM 1067 CD GLU A 394 -15.997 -0.101 17.385 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -16.387 -1.285 17.474 1.00 0.00 O ATOM 1069 OE2 GLU A 394 -15.744 0.602 18.385 1.00 0.00 O1- ATOM 0 H GLU A 394 -16.652 1.927 17.668 1.00 0.00 H new ATOM 0 HA GLU A 394 -17.262 3.108 15.183 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -17.929 0.237 15.676 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -17.078 0.974 14.332 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -15.378 -0.224 15.341 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -15.151 1.356 16.066 1.00 0.00 H new ATOM 1076 N ASP A 395 -19.747 2.914 14.835 1.00 0.00 N ATOM 1077 CA ASP A 395 -21.191 2.936 14.712 1.00 0.00 C ATOM 1078 C ASP A 395 -21.660 1.538 14.379 1.00 0.00 C ATOM 1079 O ASP A 395 -22.747 1.109 14.773 1.00 0.00 O ATOM 1080 CB ASP A 395 -21.627 3.925 13.629 1.00 0.00 C ATOM 1081 CG ASP A 395 -23.132 3.970 13.447 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -23.847 4.243 14.432 1.00 0.00 O ATOM 1083 OD2 ASP A 395 -23.603 3.759 12.312 1.00 0.00 O1- ATOM 0 H ASP A 395 -19.247 3.335 14.052 1.00 0.00 H new ATOM 0 HA ASP A 395 -21.638 3.263 15.651 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -21.267 4.921 13.886 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -21.159 3.651 12.683 1.00 0.00 H new ATOM 1088 N ASP A 396 -20.806 0.831 13.669 1.00 0.00 N ATOM 1089 CA ASP A 396 -21.033 -0.546 13.306 1.00 0.00 C ATOM 1090 C ASP A 396 -20.006 -1.414 14.012 1.00 0.00 C ATOM 1091 O ASP A 396 -20.363 -2.080 14.999 1.00 0.00 O ATOM 1092 CB ASP A 396 -20.924 -0.727 11.790 1.00 0.00 C ATOM 1093 CG ASP A 396 -21.030 -2.182 11.357 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -20.021 -2.911 11.433 1.00 0.00 O1- ATOM 1095 OD2 ASP A 396 -22.123 -2.601 10.929 1.00 0.00 O ATOM 1096 OXT ASP A 396 -18.828 -1.383 13.604 1.00 0.00 O ATOM 0 H ASP A 396 -19.922 1.206 13.324 1.00 0.00 H new ATOM 0 HA ASP A 396 -22.038 -0.840 13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -21.710 -0.150 11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -19.972 -0.320 11.448 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.207 20.240 2.708 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -12.898 13.919 13.818 1.00 0.00 ZN