USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=19 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 Set 1.1: A 364 ASN : amide:sc= 0.98 K(o=1.1,f=-4.2!) USER MOD Set 1.2: A 366 ASN : amide:sc= 0.126 X(o=1.1,f=0.86) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 325 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0145) USER MOD Single : A 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 327 CYS SG : rot 180:sc= 0.146 USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 THR OG1 : rot 28:sc= 0.439 USER MOD Single : A 334 SER OG : rot 180:sc= 0 USER MOD Single : A 335 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.26) USER MOD Single : A 340 ASN :FLIP amide:sc= 0 F(o=-2.2,f=0) USER MOD Single : A 341 THR OG1 : rot -120:sc= -0.35 USER MOD Single : A 342 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.13) 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 -18:sc= 0.674 USER MOD Single : A 353 LYS NZ :NH3+ -163:sc= 0.132 (180deg=-0.278) USER MOD Single : A 357 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 358 ASN : amide:sc= -0.688 X(o=-0.69,f=-0.3) USER MOD Single : A 359 HIS : no HD1:sc= 0.189 K(o=0.19,f=-1.8!) USER MOD Single : A 360 MET CE :methyl -123:sc= -1.13 (180deg=-3.84!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.423 F(o=-3.4!,f=-0.42) USER MOD Single : A 368 LYS NZ :NH3+ 140:sc= -0.75! (180deg=-3.67!) USER MOD Single : A 382 HIS : +bothHN:sc= 0.633 K(o=0.63,f=-7.2!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 ASN : amide:sc= 1.05 K(o=1,f=-4!) USER MOD Single : A 390 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.23) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 7.059 1.348 5.434 1.00 0.00 N ATOM 2 CA GLY A 323 8.100 0.516 4.799 1.00 0.00 C ATOM 3 C GLY A 323 7.776 0.219 3.357 1.00 0.00 C ATOM 4 O GLY A 323 7.445 1.126 2.595 1.00 0.00 O ATOM 0 HA2 GLY A 323 9.061 1.028 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 323 8.203 -0.420 5.349 1.00 0.00 H new ATOM 10 N SER A 324 7.857 -1.043 2.978 1.00 0.00 N ATOM 11 CA SER A 324 7.566 -1.443 1.618 1.00 0.00 C ATOM 12 C SER A 324 6.059 -1.554 1.400 1.00 0.00 C ATOM 13 O SER A 324 5.415 -2.500 1.859 1.00 0.00 O ATOM 14 CB SER A 324 8.254 -2.769 1.299 1.00 0.00 C ATOM 15 OG SER A 324 9.656 -2.672 1.515 1.00 0.00 O ATOM 0 H SER A 324 8.123 -1.809 3.597 1.00 0.00 H new ATOM 0 HA SER A 324 7.952 -0.680 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 324 7.839 -3.560 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 324 8.059 -3.046 0.263 1.00 0.00 H new ATOM 0 HG SER A 324 10.079 -3.531 1.307 1.00 0.00 H new ATOM 21 N LYS A 325 5.505 -0.572 0.724 1.00 0.00 N ATOM 22 CA LYS A 325 4.089 -0.535 0.433 1.00 0.00 C ATOM 23 C LYS A 325 3.859 0.103 -0.923 1.00 0.00 C ATOM 24 O LYS A 325 4.149 1.284 -1.118 1.00 0.00 O ATOM 25 CB LYS A 325 3.336 0.249 1.525 1.00 0.00 C ATOM 26 CG LYS A 325 1.845 0.438 1.253 1.00 0.00 C ATOM 27 CD LYS A 325 1.124 -0.896 1.137 1.00 0.00 C ATOM 28 CE LYS A 325 -0.341 -0.712 0.768 1.00 0.00 C ATOM 29 NZ LYS A 325 -1.123 -0.066 1.854 1.00 0.00 N1+ ATOM 0 H LYS A 325 6.026 0.226 0.359 1.00 0.00 H new ATOM 0 HA LYS A 325 3.707 -1.556 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 325 3.456 -0.270 2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 325 3.800 1.229 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 325 1.399 1.024 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 325 1.712 1.006 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 325 1.615 -1.511 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 325 1.197 -1.433 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 325 -0.412 -0.107 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 325 -0.779 -1.683 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 -2.126 -0.024 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 -1.024 -0.619 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 -0.767 0.898 2.012 1.00 0.00 H new ATOM 43 N LYS A 326 3.359 -0.673 -1.860 1.00 0.00 N ATOM 44 CA LYS A 326 3.077 -0.161 -3.182 1.00 0.00 C ATOM 45 C LYS A 326 1.647 0.332 -3.260 1.00 0.00 C ATOM 46 O LYS A 326 0.706 -0.445 -3.099 1.00 0.00 O ATOM 47 CB LYS A 326 3.328 -1.224 -4.259 1.00 0.00 C ATOM 48 CG LYS A 326 2.982 -0.749 -5.670 1.00 0.00 C ATOM 49 CD LYS A 326 3.237 -1.820 -6.722 1.00 0.00 C ATOM 50 CE LYS A 326 4.718 -2.117 -6.874 1.00 0.00 C ATOM 51 NZ LYS A 326 4.985 -3.056 -7.993 1.00 0.00 N1+ ATOM 0 H LYS A 326 3.140 -1.661 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 326 3.754 0.673 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 326 4.377 -1.520 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 326 2.739 -2.112 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 326 1.934 -0.453 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 326 3.571 0.137 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 326 2.709 -2.733 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 326 2.831 -1.493 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 326 5.259 -1.186 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 326 5.100 -2.542 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 6.008 -3.232 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 4.490 -3.954 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 4.644 -2.641 -8.884 1.00 0.00 H new ATOM 65 N CYS A 327 1.484 1.614 -3.480 1.00 0.00 N ATOM 66 CA CYS A 327 0.168 2.190 -3.616 1.00 0.00 C ATOM 67 C CYS A 327 -0.363 1.981 -5.019 1.00 0.00 C ATOM 68 O CYS A 327 0.399 1.675 -5.949 1.00 0.00 O ATOM 69 CB CYS A 327 0.195 3.679 -3.278 1.00 0.00 C ATOM 70 SG CYS A 327 1.575 4.585 -4.011 1.00 0.00 S ATOM 0 H CYS A 327 2.250 2.281 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 327 -0.497 1.687 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -0.739 4.132 -3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 327 0.236 3.793 -2.195 1.00 0.00 H new ATOM 0 HG CYS A 327 1.505 5.836 -3.666 1.00 0.00 H new ATOM 76 N ASP A 328 -1.657 2.137 -5.178 1.00 0.00 N ATOM 77 CA ASP A 328 -2.278 1.982 -6.465 1.00 0.00 C ATOM 78 C ASP A 328 -2.112 3.240 -7.290 1.00 0.00 C ATOM 79 O ASP A 328 -2.967 4.126 -7.288 1.00 0.00 O ATOM 80 CB ASP A 328 -3.758 1.605 -6.336 1.00 0.00 C ATOM 81 CG ASP A 328 -3.964 0.157 -5.957 1.00 0.00 C ATOM 82 OD1 ASP A 328 -3.994 -0.159 -4.749 1.00 0.00 O1- ATOM 83 OD2 ASP A 328 -4.095 -0.683 -6.874 1.00 0.00 O ATOM 0 H ASP A 328 -2.301 2.373 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 328 -1.776 1.162 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -4.226 2.242 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -4.262 1.803 -7.282 1.00 0.00 H new ATOM 88 N ASP A 329 -0.962 3.338 -7.922 1.00 0.00 N ATOM 89 CA ASP A 329 -0.647 4.443 -8.831 1.00 0.00 C ATOM 90 C ASP A 329 -1.808 4.696 -9.794 1.00 0.00 C ATOM 91 O ASP A 329 -2.197 3.810 -10.566 1.00 0.00 O ATOM 92 CB ASP A 329 0.635 4.135 -9.604 1.00 0.00 C ATOM 93 CG ASP A 329 0.922 5.143 -10.692 1.00 0.00 C ATOM 94 OD1 ASP A 329 1.291 6.288 -10.369 1.00 0.00 O ATOM 95 OD2 ASP A 329 0.795 4.786 -11.878 1.00 0.00 O1- ATOM 0 H ASP A 329 -0.210 2.656 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 329 -0.492 5.347 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 329 1.475 4.109 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 329 0.557 3.142 -10.047 1.00 0.00 H new ATOM 100 N ASP A 330 -2.364 5.891 -9.727 1.00 0.00 N ATOM 101 CA ASP A 330 -3.539 6.248 -10.507 1.00 0.00 C ATOM 102 C ASP A 330 -3.217 7.367 -11.495 1.00 0.00 C ATOM 103 O ASP A 330 -2.341 8.200 -11.240 1.00 0.00 O ATOM 104 CB ASP A 330 -4.650 6.696 -9.557 1.00 0.00 C ATOM 105 CG ASP A 330 -5.981 6.896 -10.230 1.00 0.00 C ATOM 106 OD1 ASP A 330 -6.157 7.918 -10.898 1.00 0.00 O1- ATOM 107 OD2 ASP A 330 -6.868 6.044 -10.079 1.00 0.00 O ATOM 0 H ASP A 330 -2.016 6.643 -9.132 1.00 0.00 H new ATOM 0 HA ASP A 330 -3.865 5.377 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -4.761 5.953 -8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -4.352 7.629 -9.078 1.00 0.00 H new ATOM 112 N SER A 331 -3.937 7.394 -12.602 1.00 0.00 N ATOM 113 CA SER A 331 -3.734 8.391 -13.647 1.00 0.00 C ATOM 114 C SER A 331 -4.675 9.593 -13.483 1.00 0.00 C ATOM 115 O SER A 331 -5.331 10.009 -14.447 1.00 0.00 O ATOM 116 CB SER A 331 -3.957 7.756 -15.009 1.00 0.00 C ATOM 117 OG SER A 331 -2.980 6.768 -15.287 1.00 0.00 O ATOM 0 H SER A 331 -4.681 6.726 -12.806 1.00 0.00 H new ATOM 0 HA SER A 331 -2.710 8.754 -13.564 1.00 0.00 H new ATOM 0 HB2 SER A 331 -4.950 7.308 -15.045 1.00 0.00 H new ATOM 0 HB3 SER A 331 -3.927 8.526 -15.780 1.00 0.00 H new ATOM 0 HG SER A 331 -3.152 6.377 -16.169 1.00 0.00 H new ATOM 123 N GLU A 332 -4.740 10.140 -12.263 1.00 0.00 N ATOM 124 CA GLU A 332 -5.562 11.323 -11.962 1.00 0.00 C ATOM 125 C GLU A 332 -7.061 11.051 -12.190 1.00 0.00 C ATOM 126 O GLU A 332 -7.860 11.973 -12.344 1.00 0.00 O ATOM 127 CB GLU A 332 -5.088 12.507 -12.801 1.00 0.00 C ATOM 128 CG GLU A 332 -3.653 12.932 -12.508 1.00 0.00 C ATOM 129 CD GLU A 332 -3.142 13.982 -13.471 1.00 0.00 C ATOM 130 OE1 GLU A 332 -3.380 15.182 -13.236 1.00 0.00 O ATOM 131 OE2 GLU A 332 -2.493 13.609 -14.474 1.00 0.00 O1- ATOM 0 H GLU A 332 -4.227 9.778 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 332 -5.440 11.563 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -5.173 12.250 -13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -5.751 13.354 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -3.595 13.320 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -3.004 12.058 -12.554 1.00 0.00 H new ATOM 138 N THR A 333 -7.421 9.785 -12.180 1.00 0.00 N ATOM 139 CA THR A 333 -8.787 9.358 -12.368 1.00 0.00 C ATOM 140 C THR A 333 -9.441 9.035 -11.028 1.00 0.00 C ATOM 141 O THR A 333 -10.654 9.187 -10.857 1.00 0.00 O ATOM 142 CB THR A 333 -8.836 8.110 -13.265 1.00 0.00 C ATOM 143 OG1 THR A 333 -7.737 7.232 -12.946 1.00 0.00 O ATOM 144 CG2 THR A 333 -8.775 8.490 -14.735 1.00 0.00 C ATOM 0 H THR A 333 -6.765 9.017 -12.039 1.00 0.00 H new ATOM 0 HA THR A 333 -9.331 10.173 -12.845 1.00 0.00 H new ATOM 0 HB THR A 333 -9.780 7.597 -13.081 1.00 0.00 H new ATOM 0 HG1 THR A 333 -7.482 7.355 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 333 -8.811 7.588 -15.346 1.00 0.00 H new ATOM 0 HG22 THR A 333 -9.623 9.129 -14.981 1.00 0.00 H new ATOM 0 HG23 THR A 333 -7.847 9.026 -14.934 1.00 0.00 H new ATOM 152 N SER A 334 -8.613 8.589 -10.079 1.00 0.00 N ATOM 153 CA SER A 334 -9.057 8.224 -8.750 1.00 0.00 C ATOM 154 C SER A 334 -10.040 7.062 -8.809 1.00 0.00 C ATOM 155 O SER A 334 -11.147 7.147 -8.279 1.00 0.00 O ATOM 156 CB SER A 334 -9.675 9.431 -8.052 1.00 0.00 C ATOM 157 OG SER A 334 -8.728 10.482 -7.921 1.00 0.00 O ATOM 0 H SER A 334 -7.610 8.474 -10.222 1.00 0.00 H new ATOM 0 HA SER A 334 -8.193 7.898 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 334 -10.537 9.782 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 334 -10.039 9.139 -7.067 1.00 0.00 H new ATOM 0 HG SER A 334 -9.147 11.246 -7.472 1.00 0.00 H new ATOM 163 N ASN A 335 -9.616 5.966 -9.430 1.00 0.00 N ATOM 164 CA ASN A 335 -10.486 4.804 -9.583 1.00 0.00 C ATOM 165 C ASN A 335 -10.780 4.163 -8.232 1.00 0.00 C ATOM 166 O ASN A 335 -11.849 3.602 -8.018 1.00 0.00 O ATOM 167 CB ASN A 335 -9.886 3.767 -10.560 1.00 0.00 C ATOM 168 CG ASN A 335 -8.751 2.943 -9.962 1.00 0.00 C ATOM 169 OD1 ASN A 335 -7.590 3.339 -10.001 1.00 0.00 O ATOM 170 ND2 ASN A 335 -9.080 1.787 -9.423 1.00 0.00 N ATOM 0 H ASN A 335 -8.685 5.857 -9.832 1.00 0.00 H new ATOM 0 HA ASN A 335 -11.426 5.155 -10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -10.677 3.093 -10.891 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -9.518 4.286 -11.445 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -8.359 1.189 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -10.056 1.490 -9.408 1.00 0.00 H new ATOM 177 N TRP A 336 -9.829 4.269 -7.323 1.00 0.00 N ATOM 178 CA TRP A 336 -9.980 3.717 -5.986 1.00 0.00 C ATOM 179 C TRP A 336 -10.080 4.842 -4.972 1.00 0.00 C ATOM 180 O TRP A 336 -10.825 4.754 -4.001 1.00 0.00 O ATOM 181 CB TRP A 336 -8.804 2.784 -5.651 1.00 0.00 C ATOM 182 CG TRP A 336 -7.458 3.446 -5.737 1.00 0.00 C ATOM 183 CD1 TRP A 336 -6.772 3.761 -6.872 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.633 3.865 -4.644 1.00 0.00 C ATOM 185 NE1 TRP A 336 -5.585 4.360 -6.553 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.471 4.431 -5.193 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.764 3.817 -3.256 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.447 4.948 -4.403 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.747 4.328 -2.473 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.603 4.887 -3.048 1.00 0.00 C ATOM 0 H TRP A 336 -8.937 4.736 -7.486 1.00 0.00 H new ATOM 0 HA TRP A 336 -10.897 3.129 -5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.941 2.390 -4.644 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -8.823 1.933 -6.331 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -7.116 3.566 -7.877 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -4.895 4.700 -7.223 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.645 3.388 -2.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -3.562 5.381 -4.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.838 4.295 -1.397 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.826 5.279 -2.408 1.00 0.00 H new ATOM 201 N ILE A 337 -9.351 5.924 -5.237 1.00 0.00 N ATOM 202 CA ILE A 337 -9.326 7.095 -4.369 1.00 0.00 C ATOM 203 C ILE A 337 -10.736 7.675 -4.180 1.00 0.00 C ATOM 204 O ILE A 337 -11.003 8.372 -3.214 1.00 0.00 O ATOM 205 CB ILE A 337 -8.380 8.184 -4.944 1.00 0.00 C ATOM 206 CG1 ILE A 337 -6.948 7.645 -5.030 1.00 0.00 C ATOM 207 CG2 ILE A 337 -8.421 9.455 -4.099 1.00 0.00 C ATOM 208 CD1 ILE A 337 -6.019 8.502 -5.861 1.00 0.00 C ATOM 0 H ILE A 337 -8.759 6.012 -6.063 1.00 0.00 H new ATOM 0 HA ILE A 337 -8.950 6.777 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 337 -8.725 8.439 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -6.542 7.558 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -6.973 6.640 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -7.748 10.198 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -9.437 9.850 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.107 9.225 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -5.025 8.055 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -6.400 8.569 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -5.962 9.501 -5.429 1.00 0.00 H new ATOM 220 N ALA A 338 -11.635 7.346 -5.101 1.00 0.00 N ATOM 221 CA ALA A 338 -13.018 7.807 -5.039 1.00 0.00 C ATOM 222 C ALA A 338 -13.672 7.453 -3.698 1.00 0.00 C ATOM 223 O ALA A 338 -14.529 8.189 -3.205 1.00 0.00 O ATOM 224 CB ALA A 338 -13.818 7.214 -6.187 1.00 0.00 C ATOM 0 H ALA A 338 -11.428 6.756 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.012 8.893 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -14.849 7.564 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -13.380 7.525 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -13.800 6.126 -6.119 1.00 0.00 H new ATOM 230 N ALA A 339 -13.259 6.328 -3.108 1.00 0.00 N ATOM 231 CA ALA A 339 -13.827 5.895 -1.834 1.00 0.00 C ATOM 232 C ALA A 339 -12.810 5.153 -0.964 1.00 0.00 C ATOM 233 O ALA A 339 -13.169 4.563 0.048 1.00 0.00 O ATOM 234 CB ALA A 339 -15.048 5.021 -2.074 1.00 0.00 C ATOM 0 H ALA A 339 -12.543 5.709 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.122 6.793 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.463 4.704 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.799 5.588 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.759 4.143 -2.652 1.00 0.00 H new ATOM 240 N ASN A 340 -11.550 5.173 -1.360 1.00 0.00 N ATOM 241 CA ASN A 340 -10.500 4.497 -0.578 1.00 0.00 C ATOM 242 C ASN A 340 -9.569 5.509 0.047 1.00 0.00 C ATOM 243 O ASN A 340 -8.783 5.184 0.937 1.00 0.00 O ATOM 244 CB ASN A 340 -9.673 3.522 -1.438 1.00 0.00 C ATOM 245 CG ASN A 340 -10.392 2.228 -1.795 1.00 0.00 C ATOM 246 OD1 ASN A 340 -11.664 2.319 -2.106 1.00 0.00 O flip ATOM 247 ND2 ASN A 340 -9.781 1.159 -1.829 1.00 0.00 N flip ATOM 0 H ASN A 340 -11.220 5.640 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 340 -11.007 3.926 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.382 4.027 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -8.754 3.277 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -8.792 1.129 -1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -10.264 0.304 -2.106 1.00 0.00 H new ATOM 254 N THR A 341 -9.652 6.726 -0.421 1.00 0.00 N ATOM 255 CA THR A 341 -8.789 7.779 0.043 1.00 0.00 C ATOM 256 C THR A 341 -9.508 9.105 -0.041 1.00 0.00 C ATOM 257 O THR A 341 -10.585 9.191 -0.621 1.00 0.00 O ATOM 258 CB THR A 341 -7.516 7.852 -0.815 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.488 6.757 -1.739 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.290 7.797 0.060 1.00 0.00 C ATOM 0 H THR A 341 -10.320 7.015 -1.135 1.00 0.00 H new ATOM 0 HA THR A 341 -8.516 7.566 1.076 1.00 0.00 H new ATOM 0 HB THR A 341 -7.521 8.794 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.687 6.216 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.396 7.850 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.300 8.638 0.753 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.286 6.863 0.622 1.00 0.00 H new ATOM 268 N LYS A 342 -8.927 10.128 0.545 1.00 0.00 N ATOM 269 CA LYS A 342 -9.497 11.454 0.479 1.00 0.00 C ATOM 270 C LYS A 342 -8.400 12.476 0.288 1.00 0.00 C ATOM 271 O LYS A 342 -7.216 12.124 0.216 1.00 0.00 O ATOM 272 CB LYS A 342 -10.349 11.774 1.723 1.00 0.00 C ATOM 273 CG LYS A 342 -11.556 10.857 1.877 1.00 0.00 C ATOM 274 CD LYS A 342 -12.613 11.409 2.831 1.00 0.00 C ATOM 275 CE LYS A 342 -12.085 11.616 4.243 1.00 0.00 C ATOM 276 NZ LYS A 342 -13.192 11.763 5.220 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.057 10.066 1.074 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.168 11.494 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.725 11.694 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.691 12.807 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.008 10.695 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.222 9.885 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -12.984 12.358 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.460 10.724 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.458 10.770 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.454 12.504 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.799 11.869 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.755 12.604 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.799 10.919 5.186 1.00 0.00 H new ATOM 290 N GLU A 343 -8.777 13.726 0.203 1.00 0.00 N ATOM 291 CA GLU A 343 -7.819 14.785 -0.022 1.00 0.00 C ATOM 292 C GLU A 343 -7.920 15.833 1.058 1.00 0.00 C ATOM 293 O GLU A 343 -8.893 15.871 1.816 1.00 0.00 O ATOM 294 CB GLU A 343 -8.032 15.436 -1.394 1.00 0.00 C ATOM 295 CG GLU A 343 -7.975 14.461 -2.557 1.00 0.00 C ATOM 296 CD GLU A 343 -7.804 15.148 -3.888 1.00 0.00 C ATOM 297 OE1 GLU A 343 -8.791 15.722 -4.403 1.00 0.00 O1- ATOM 298 OE2 GLU A 343 -6.678 15.111 -4.433 1.00 0.00 O ATOM 0 H GLU A 343 -9.744 14.039 0.286 1.00 0.00 H new ATOM 0 HA GLU A 343 -6.824 14.342 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.000 15.937 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.274 16.205 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.149 13.767 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -8.890 13.869 -2.574 1.00 0.00 H new ATOM 305 N CYS A 344 -6.912 16.676 1.130 1.00 0.00 N ATOM 306 CA CYS A 344 -6.891 17.758 2.080 1.00 0.00 C ATOM 307 C CYS A 344 -8.017 18.732 1.780 1.00 0.00 C ATOM 308 O CYS A 344 -8.195 19.146 0.638 1.00 0.00 O ATOM 309 CB CYS A 344 -5.542 18.470 2.015 1.00 0.00 C ATOM 310 SG CYS A 344 -5.361 19.879 3.154 1.00 0.00 S ATOM 0 H CYS A 344 -6.088 16.627 0.531 1.00 0.00 H new ATOM 0 HA CYS A 344 -7.033 17.360 3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.755 17.746 2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.383 18.823 0.996 1.00 0.00 H new ATOM 315 N PRO A 345 -8.797 19.098 2.786 1.00 0.00 N ATOM 316 CA PRO A 345 -9.885 20.050 2.623 1.00 0.00 C ATOM 317 C PRO A 345 -9.371 21.483 2.559 1.00 0.00 C ATOM 318 O PRO A 345 -10.147 22.438 2.433 1.00 0.00 O ATOM 319 CB PRO A 345 -10.729 19.834 3.878 1.00 0.00 C ATOM 320 CG PRO A 345 -9.764 19.352 4.909 1.00 0.00 C ATOM 321 CD PRO A 345 -8.689 18.600 4.171 1.00 0.00 C ATOM 0 HA PRO A 345 -10.439 19.900 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -11.214 20.758 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.518 19.103 3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -9.340 20.189 5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -10.261 18.707 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.703 18.797 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.848 17.523 4.222 1.00 0.00 H new ATOM 329 N LYS A 346 -8.062 21.627 2.636 1.00 0.00 N ATOM 330 CA LYS A 346 -7.438 22.913 2.615 1.00 0.00 C ATOM 331 C LYS A 346 -6.762 23.182 1.277 1.00 0.00 C ATOM 332 O LYS A 346 -7.092 24.152 0.593 1.00 0.00 O ATOM 333 CB LYS A 346 -6.453 23.021 3.785 1.00 0.00 C ATOM 334 CG LYS A 346 -5.408 24.109 3.630 1.00 0.00 C ATOM 335 CD LYS A 346 -4.801 24.520 4.975 1.00 0.00 C ATOM 336 CE LYS A 346 -5.861 25.003 5.965 1.00 0.00 C ATOM 337 NZ LYS A 346 -5.271 25.381 7.275 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.410 20.847 2.715 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.203 23.681 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -7.015 23.203 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.947 22.063 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.617 23.759 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.860 24.980 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.265 23.673 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.069 25.312 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -6.386 25.860 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -6.602 24.217 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -6.025 25.702 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -4.792 24.557 7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -4.583 26.149 7.137 1.00 0.00 H new ATOM 351 N CYS A 347 -5.841 22.319 0.890 1.00 0.00 N ATOM 352 CA CYS A 347 -5.110 22.522 -0.352 1.00 0.00 C ATOM 353 C CYS A 347 -5.527 21.525 -1.427 1.00 0.00 C ATOM 354 O CYS A 347 -5.133 21.656 -2.585 1.00 0.00 O ATOM 355 CB CYS A 347 -3.604 22.448 -0.106 1.00 0.00 C ATOM 356 SG CYS A 347 -3.023 20.859 0.548 1.00 0.00 S ATOM 0 H CYS A 347 -5.582 21.480 1.409 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.358 23.518 -0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.086 22.652 -1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.324 23.237 0.591 1.00 0.00 H new ATOM 361 N HIS A 348 -6.325 20.540 -1.032 1.00 0.00 N ATOM 362 CA HIS A 348 -6.808 19.496 -1.932 1.00 0.00 C ATOM 363 C HIS A 348 -5.662 18.668 -2.484 1.00 0.00 C ATOM 364 O HIS A 348 -5.328 18.738 -3.670 1.00 0.00 O ATOM 365 CB HIS A 348 -7.670 20.055 -3.079 1.00 0.00 C ATOM 366 CG HIS A 348 -8.934 20.734 -2.631 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.168 20.170 -2.857 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.100 21.925 -2.006 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.050 21.026 -2.367 1.00 0.00 C ATOM 370 NE2 HIS A 348 -10.451 22.101 -1.843 1.00 0.00 N ATOM 0 H HIS A 348 -6.658 20.441 -0.073 1.00 0.00 H new ATOM 0 HA HIS A 348 -7.448 18.848 -1.333 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.074 20.765 -3.652 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -7.930 19.239 -3.753 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -8.320 22.604 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.119 20.876 -2.388 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -10.911 22.899 -1.406 1.00 0.00 H new ATOM 378 N VAL A 349 -5.039 17.914 -1.613 1.00 0.00 N ATOM 379 CA VAL A 349 -3.968 17.029 -1.999 1.00 0.00 C ATOM 380 C VAL A 349 -4.305 15.612 -1.560 1.00 0.00 C ATOM 381 O VAL A 349 -4.807 15.406 -0.455 1.00 0.00 O ATOM 382 CB VAL A 349 -2.602 17.473 -1.396 1.00 0.00 C ATOM 383 CG1 VAL A 349 -2.665 17.524 0.109 1.00 0.00 C ATOM 384 CG2 VAL A 349 -1.473 16.565 -1.860 1.00 0.00 C ATOM 0 H VAL A 349 -5.260 17.896 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 349 -3.868 17.067 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.393 18.479 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -1.698 17.837 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.430 18.236 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -2.912 16.536 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -0.533 16.901 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -1.676 15.542 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -1.400 16.601 -2.947 1.00 0.00 H new ATOM 394 N THR A 350 -4.067 14.650 -2.428 1.00 0.00 N ATOM 395 CA THR A 350 -4.367 13.269 -2.133 1.00 0.00 C ATOM 396 C THR A 350 -3.532 12.760 -0.962 1.00 0.00 C ATOM 397 O THR A 350 -2.305 12.667 -1.046 1.00 0.00 O ATOM 398 CB THR A 350 -4.119 12.392 -3.362 1.00 0.00 C ATOM 399 OG1 THR A 350 -4.772 12.977 -4.501 1.00 0.00 O ATOM 400 CG2 THR A 350 -4.660 10.989 -3.139 1.00 0.00 C ATOM 0 H THR A 350 -3.663 14.805 -3.352 1.00 0.00 H new ATOM 0 HA THR A 350 -5.420 13.212 -1.857 1.00 0.00 H new ATOM 0 HB THR A 350 -3.045 12.329 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 350 -5.446 13.620 -4.197 1.00 0.00 H new ATOM 0 HG21 THR A 350 -4.473 10.382 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.162 10.540 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 350 -5.733 11.038 -2.952 1.00 0.00 H new ATOM 408 N ILE A 351 -4.205 12.444 0.126 1.00 0.00 N ATOM 409 CA ILE A 351 -3.545 11.940 1.308 1.00 0.00 C ATOM 410 C ILE A 351 -3.788 10.440 1.411 1.00 0.00 C ATOM 411 O ILE A 351 -4.120 9.808 0.419 1.00 0.00 O ATOM 412 CB ILE A 351 -4.063 12.659 2.582 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.536 12.336 2.825 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.875 14.171 2.454 1.00 0.00 C ATOM 415 CD1 ILE A 351 -6.160 13.164 3.915 1.00 0.00 C ATOM 0 H ILE A 351 -5.218 12.529 0.213 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.475 12.134 1.229 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.484 12.301 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.091 12.490 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.631 11.281 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.243 14.661 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.816 14.396 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.431 14.535 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -7.206 12.881 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.630 12.992 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -6.097 14.220 3.651 1.00 0.00 H new ATOM 427 N GLU A 352 -3.606 9.875 2.595 1.00 0.00 N ATOM 428 CA GLU A 352 -3.853 8.452 2.810 1.00 0.00 C ATOM 429 C GLU A 352 -3.913 8.175 4.304 1.00 0.00 C ATOM 430 O GLU A 352 -2.997 8.532 5.052 1.00 0.00 O ATOM 431 CB GLU A 352 -2.771 7.608 2.126 1.00 0.00 C ATOM 432 CG GLU A 352 -3.255 6.253 1.617 1.00 0.00 C ATOM 433 CD GLU A 352 -3.497 5.239 2.708 1.00 0.00 C ATOM 434 OE1 GLU A 352 -2.510 4.635 3.196 1.00 0.00 O ATOM 435 OE2 GLU A 352 -4.670 5.017 3.063 1.00 0.00 O1- ATOM 0 H GLU A 352 -3.288 10.378 3.424 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.809 8.175 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.363 8.173 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.954 7.447 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -4.179 6.396 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -2.518 5.853 0.921 1.00 0.00 H new ATOM 442 N LYS A 353 -4.999 7.563 4.731 1.00 0.00 N ATOM 443 CA LYS A 353 -5.255 7.310 6.147 1.00 0.00 C ATOM 444 C LYS A 353 -4.454 6.119 6.668 1.00 0.00 C ATOM 445 O LYS A 353 -4.270 5.131 5.980 1.00 0.00 O ATOM 446 CB LYS A 353 -6.751 7.078 6.380 1.00 0.00 C ATOM 447 CG LYS A 353 -7.139 6.885 7.841 1.00 0.00 C ATOM 448 CD LYS A 353 -7.016 8.173 8.648 1.00 0.00 C ATOM 449 CE LYS A 353 -7.462 7.961 10.087 1.00 0.00 C ATOM 450 NZ LYS A 353 -8.829 7.388 10.173 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.734 7.224 4.110 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.933 8.192 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -7.305 7.927 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -7.062 6.199 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -8.165 6.520 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -6.504 6.119 8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.983 8.519 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -7.621 8.954 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -6.759 7.296 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -7.435 8.913 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -9.203 7.525 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -9.449 7.865 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -8.793 6.371 9.957 1.00 0.00 H new ATOM 464 N ASP A 354 -3.999 6.234 7.904 1.00 0.00 N ATOM 465 CA ASP A 354 -3.228 5.178 8.552 1.00 0.00 C ATOM 466 C ASP A 354 -4.148 4.056 9.032 1.00 0.00 C ATOM 467 O ASP A 354 -3.984 2.894 8.654 1.00 0.00 O ATOM 468 CB ASP A 354 -2.447 5.758 9.737 1.00 0.00 C ATOM 469 CG ASP A 354 -1.765 4.695 10.574 1.00 0.00 C ATOM 470 OD1 ASP A 354 -2.392 4.199 11.531 1.00 0.00 O1- ATOM 471 OD2 ASP A 354 -0.595 4.361 10.286 1.00 0.00 O ATOM 0 H ASP A 354 -4.151 7.057 8.487 1.00 0.00 H new ATOM 0 HA ASP A 354 -2.528 4.763 7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -1.697 6.456 9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -3.127 6.329 10.369 1.00 0.00 H new ATOM 476 N GLY A 355 -5.110 4.415 9.864 1.00 0.00 N ATOM 477 CA GLY A 355 -6.045 3.439 10.379 1.00 0.00 C ATOM 478 C GLY A 355 -6.012 3.375 11.886 1.00 0.00 C ATOM 479 O GLY A 355 -7.058 3.342 12.540 1.00 0.00 O ATOM 0 H GLY A 355 -5.261 5.368 10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -7.053 3.690 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -5.810 2.457 9.968 1.00 0.00 H new ATOM 483 N GLY A 356 -4.812 3.373 12.442 1.00 0.00 N ATOM 484 CA GLY A 356 -4.662 3.328 13.877 1.00 0.00 C ATOM 485 C GLY A 356 -4.783 4.698 14.483 1.00 0.00 C ATOM 486 O GLY A 356 -5.455 4.885 15.500 1.00 0.00 O ATOM 0 H GLY A 356 -3.936 3.402 11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -5.420 2.671 14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -3.692 2.901 14.130 1.00 0.00 H new ATOM 490 N SER A 357 -4.140 5.663 13.859 1.00 0.00 N ATOM 491 CA SER A 357 -4.196 7.031 14.313 1.00 0.00 C ATOM 492 C SER A 357 -5.344 7.773 13.643 1.00 0.00 C ATOM 493 O SER A 357 -5.666 7.526 12.476 1.00 0.00 O ATOM 494 CB SER A 357 -2.872 7.731 14.020 1.00 0.00 C ATOM 495 OG SER A 357 -2.456 7.487 12.684 1.00 0.00 O ATOM 0 H SER A 357 -3.567 5.519 13.027 1.00 0.00 H new ATOM 0 HA SER A 357 -4.369 7.034 15.389 1.00 0.00 H new ATOM 0 HB2 SER A 357 -2.979 8.804 14.182 1.00 0.00 H new ATOM 0 HB3 SER A 357 -2.108 7.379 14.713 1.00 0.00 H new ATOM 0 HG SER A 357 -1.606 7.946 12.517 1.00 0.00 H new ATOM 501 N ASN A 358 -5.964 8.671 14.380 1.00 0.00 N ATOM 502 CA ASN A 358 -7.051 9.472 13.850 1.00 0.00 C ATOM 503 C ASN A 358 -6.512 10.834 13.465 1.00 0.00 C ATOM 504 O ASN A 358 -7.147 11.587 12.722 1.00 0.00 O ATOM 505 CB ASN A 358 -8.171 9.630 14.889 1.00 0.00 C ATOM 506 CG ASN A 358 -8.701 8.302 15.400 1.00 0.00 C ATOM 507 OD1 ASN A 358 -8.214 7.771 16.398 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.701 7.758 14.727 1.00 0.00 N ATOM 0 H ASN A 358 -5.733 8.866 15.354 1.00 0.00 H new ATOM 0 HA ASN A 358 -7.468 8.973 12.976 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.798 10.214 15.731 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.991 10.196 14.447 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.095 6.868 15.031 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -10.078 8.229 13.904 1.00 0.00 H new ATOM 515 N HIS A 359 -5.318 11.127 13.969 1.00 0.00 N ATOM 516 CA HIS A 359 -4.649 12.390 13.721 1.00 0.00 C ATOM 517 C HIS A 359 -4.083 12.416 12.304 1.00 0.00 C ATOM 518 O HIS A 359 -2.922 12.065 12.074 1.00 0.00 O ATOM 519 CB HIS A 359 -3.530 12.594 14.759 1.00 0.00 C ATOM 520 CG HIS A 359 -2.895 13.960 14.771 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.969 14.297 15.727 1.00 0.00 N ATOM 522 CD2 HIS A 359 -3.084 15.022 13.948 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.618 15.542 15.470 1.00 0.00 C ATOM 524 NE2 HIS A 359 -2.263 16.021 14.407 1.00 0.00 N ATOM 0 H HIS A 359 -4.788 10.489 14.563 1.00 0.00 H new ATOM 0 HA HIS A 359 -5.368 13.204 13.815 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.937 12.394 15.750 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -2.752 11.853 14.578 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -3.750 15.071 13.099 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.898 16.103 16.048 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -2.165 16.955 14.009 1.00 0.00 H new ATOM 532 N MET A 360 -4.920 12.795 11.368 1.00 0.00 N ATOM 533 CA MET A 360 -4.525 12.881 9.977 1.00 0.00 C ATOM 534 C MET A 360 -3.914 14.242 9.660 1.00 0.00 C ATOM 535 O MET A 360 -4.510 15.287 9.920 1.00 0.00 O ATOM 536 CB MET A 360 -5.727 12.585 9.057 1.00 0.00 C ATOM 537 CG MET A 360 -5.591 13.145 7.646 1.00 0.00 C ATOM 538 SD MET A 360 -4.199 12.444 6.732 1.00 0.00 S ATOM 539 CE MET A 360 -4.784 10.785 6.443 1.00 0.00 C ATOM 0 H MET A 360 -5.891 13.052 11.545 1.00 0.00 H new ATOM 0 HA MET A 360 -3.759 12.127 9.794 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.865 11.506 8.995 1.00 0.00 H new ATOM 0 HB3 MET A 360 -6.628 12.996 9.513 1.00 0.00 H new ATOM 0 HG2 MET A 360 -6.512 12.953 7.096 1.00 0.00 H new ATOM 0 HG3 MET A 360 -5.473 14.227 7.702 1.00 0.00 H new ATOM 0 HE1 MET A 360 -4.071 10.071 6.854 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.752 10.651 6.927 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.888 10.617 5.371 1.00 0.00 H new ATOM 549 N VAL A 361 -2.715 14.218 9.120 1.00 0.00 N ATOM 550 CA VAL A 361 -2.024 15.431 8.742 1.00 0.00 C ATOM 551 C VAL A 361 -1.787 15.449 7.235 1.00 0.00 C ATOM 552 O VAL A 361 -1.490 14.406 6.633 1.00 0.00 O ATOM 553 CB VAL A 361 -0.667 15.566 9.478 1.00 0.00 C ATOM 554 CG1 VAL A 361 -0.017 16.910 9.182 1.00 0.00 C ATOM 555 CG2 VAL A 361 -0.843 15.373 10.978 1.00 0.00 C ATOM 0 H VAL A 361 -2.194 13.362 8.931 1.00 0.00 H new ATOM 0 HA VAL A 361 -2.654 16.273 9.028 1.00 0.00 H new ATOM 0 HB VAL A 361 -0.006 14.782 9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 361 0.934 16.979 9.711 1.00 0.00 H new ATOM 0 HG12 VAL A 361 0.157 17.002 8.110 1.00 0.00 H new ATOM 0 HG13 VAL A 361 -0.675 17.713 9.513 1.00 0.00 H new ATOM 0 HG21 VAL A 361 0.123 15.472 11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -1.528 16.128 11.364 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -1.250 14.381 11.172 1.00 0.00 H new ATOM 565 N CYS A 362 -1.943 16.616 6.633 1.00 0.00 N ATOM 566 CA CYS A 362 -1.731 16.793 5.207 1.00 0.00 C ATOM 567 C CYS A 362 -0.324 16.355 4.803 1.00 0.00 C ATOM 568 O CYS A 362 0.617 16.424 5.597 1.00 0.00 O ATOM 569 CB CYS A 362 -1.950 18.252 4.832 1.00 0.00 C ATOM 570 SG CYS A 362 -1.823 18.596 3.059 1.00 0.00 S ATOM 0 H CYS A 362 -2.221 17.468 7.120 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.447 16.169 4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.936 18.560 5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -1.220 18.864 5.362 1.00 0.00 H new ATOM 575 N ARG A 363 -0.187 15.924 3.566 1.00 0.00 N ATOM 576 CA ARG A 363 1.096 15.452 3.056 1.00 0.00 C ATOM 577 C ARG A 363 1.793 16.574 2.325 1.00 0.00 C ATOM 578 O ARG A 363 3.013 16.568 2.164 1.00 0.00 O ATOM 579 CB ARG A 363 0.895 14.290 2.091 1.00 0.00 C ATOM 580 CG ARG A 363 -0.284 13.396 2.440 1.00 0.00 C ATOM 581 CD ARG A 363 -0.106 12.708 3.790 1.00 0.00 C ATOM 582 NE ARG A 363 1.038 11.790 3.798 1.00 0.00 N ATOM 583 CZ ARG A 363 1.771 11.500 4.885 1.00 0.00 C ATOM 584 NH1 ARG A 363 1.492 12.075 6.054 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 2.785 10.645 4.796 1.00 0.00 N ATOM 0 H ARG A 363 -0.948 15.889 2.888 1.00 0.00 H new ATOM 0 HA ARG A 363 1.700 15.118 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.753 14.686 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.802 13.686 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.197 13.991 2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.408 12.641 1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 363 0.030 13.462 4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.013 12.157 4.037 1.00 0.00 H new ATOM 0 HE ARG A 363 1.294 11.342 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.720 12.738 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 363 2.051 11.853 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 363 3.007 10.208 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 363 3.341 10.426 5.622 1.00 0.00 H new ATOM 599 N ASN A 364 1.004 17.533 1.866 1.00 0.00 N ATOM 600 CA ASN A 364 1.528 18.668 1.139 1.00 0.00 C ATOM 601 C ASN A 364 2.457 19.479 2.020 1.00 0.00 C ATOM 602 O ASN A 364 2.048 20.017 3.041 1.00 0.00 O ATOM 603 CB ASN A 364 0.386 19.541 0.599 1.00 0.00 C ATOM 604 CG ASN A 364 0.865 20.799 -0.102 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.991 20.863 -0.605 1.00 0.00 O ATOM 606 ND2 ASN A 364 0.002 21.792 -0.161 1.00 0.00 N ATOM 0 H ASN A 364 -0.009 17.543 1.988 1.00 0.00 H new ATOM 0 HA ASN A 364 2.101 18.298 0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.213 18.953 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.268 19.821 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 364 0.253 22.659 -0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -0.918 21.695 0.269 1.00 0.00 H new ATOM 613 N GLN A 365 3.713 19.551 1.614 1.00 0.00 N ATOM 614 CA GLN A 365 4.742 20.292 2.351 1.00 0.00 C ATOM 615 C GLN A 365 4.484 21.795 2.329 1.00 0.00 C ATOM 616 O GLN A 365 5.153 22.556 3.010 1.00 0.00 O ATOM 617 CB GLN A 365 6.141 19.984 1.802 1.00 0.00 C ATOM 618 CG GLN A 365 6.203 19.820 0.289 1.00 0.00 C ATOM 619 CD GLN A 365 6.108 18.365 -0.164 1.00 0.00 C ATOM 620 OE1 GLN A 365 5.463 17.525 0.632 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 6.633 17.995 -1.215 1.00 0.00 N flip ATOM 0 H GLN A 365 4.056 19.100 0.766 1.00 0.00 H new ATOM 0 HA GLN A 365 4.693 19.961 3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.818 20.786 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.508 19.070 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 365 5.391 20.389 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 365 7.136 20.248 -0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 365 7.122 18.668 -1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 365 6.578 17.016 -1.495 1.00 0.00 H new ATOM 630 N ASN A 366 3.521 22.207 1.538 1.00 0.00 N ATOM 631 CA ASN A 366 3.125 23.607 1.466 1.00 0.00 C ATOM 632 C ASN A 366 1.841 23.820 2.255 1.00 0.00 C ATOM 633 O ASN A 366 1.189 24.858 2.145 1.00 0.00 O ATOM 634 CB ASN A 366 2.911 24.024 0.010 1.00 0.00 C ATOM 635 CG ASN A 366 4.168 23.928 -0.817 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.953 24.870 -0.880 1.00 0.00 O ATOM 637 ND2 ASN A 366 4.361 22.799 -1.470 1.00 0.00 N ATOM 0 H ASN A 366 2.988 21.590 0.926 1.00 0.00 H new ATOM 0 HA ASN A 366 3.919 24.219 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 366 2.141 23.394 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 366 2.540 25.049 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 366 5.188 22.684 -2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 366 3.683 22.041 -1.390 1.00 0.00 H new ATOM 644 N CYS A 367 1.493 22.828 3.057 1.00 0.00 N ATOM 645 CA CYS A 367 0.276 22.861 3.841 1.00 0.00 C ATOM 646 C CYS A 367 0.528 22.269 5.216 1.00 0.00 C ATOM 647 O CYS A 367 0.673 22.999 6.202 1.00 0.00 O ATOM 648 CB CYS A 367 -0.812 22.073 3.124 1.00 0.00 C ATOM 649 SG CYS A 367 -2.429 22.056 3.961 1.00 0.00 S ATOM 0 H CYS A 367 2.046 21.980 3.181 1.00 0.00 H new ATOM 0 HA CYS A 367 -0.048 23.895 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -0.942 22.488 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.473 21.044 3.000 1.00 0.00 H new ATOM 654 N LYS A 368 0.607 20.933 5.268 1.00 0.00 N ATOM 655 CA LYS A 368 0.860 20.196 6.509 1.00 0.00 C ATOM 656 C LYS A 368 -0.239 20.453 7.538 1.00 0.00 C ATOM 657 O LYS A 368 -0.013 20.347 8.746 1.00 0.00 O ATOM 658 CB LYS A 368 2.223 20.591 7.072 1.00 0.00 C ATOM 659 CG LYS A 368 3.359 20.361 6.095 1.00 0.00 C ATOM 660 CD LYS A 368 4.492 21.359 6.288 1.00 0.00 C ATOM 661 CE LYS A 368 4.102 22.774 5.846 1.00 0.00 C ATOM 662 NZ LYS A 368 3.319 23.517 6.879 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.497 20.334 4.450 1.00 0.00 H new ATOM 0 HA LYS A 368 0.859 19.129 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.202 21.644 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 368 2.413 20.021 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 368 3.743 19.349 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 368 2.980 20.436 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 368 4.783 21.376 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.363 21.031 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 368 5.006 23.336 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.516 22.713 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 3.633 24.508 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 2.307 23.481 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 3.471 23.080 7.810 1.00 0.00 H new ATOM 676 N ALA A 369 -1.426 20.776 7.047 1.00 0.00 N ATOM 677 CA ALA A 369 -2.559 21.055 7.905 1.00 0.00 C ATOM 678 C ALA A 369 -3.026 19.801 8.622 1.00 0.00 C ATOM 679 O ALA A 369 -3.137 18.733 8.025 1.00 0.00 O ATOM 680 CB ALA A 369 -3.699 21.654 7.094 1.00 0.00 C ATOM 0 H ALA A 369 -1.627 20.851 6.050 1.00 0.00 H new ATOM 0 HA ALA A 369 -2.242 21.776 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -4.544 21.859 7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -3.367 22.583 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -4.004 20.950 6.320 1.00 0.00 H new ATOM 686 N GLU A 370 -3.278 19.935 9.903 1.00 0.00 N ATOM 687 CA GLU A 370 -3.764 18.833 10.702 1.00 0.00 C ATOM 688 C GLU A 370 -5.276 18.889 10.763 1.00 0.00 C ATOM 689 O GLU A 370 -5.848 19.869 11.242 1.00 0.00 O ATOM 690 CB GLU A 370 -3.182 18.911 12.105 1.00 0.00 C ATOM 691 CG GLU A 370 -1.668 18.971 12.125 1.00 0.00 C ATOM 692 CD GLU A 370 -1.122 19.254 13.497 1.00 0.00 C ATOM 693 OE1 GLU A 370 -1.138 20.430 13.913 1.00 0.00 O ATOM 694 OE2 GLU A 370 -0.665 18.308 14.162 1.00 0.00 O1- ATOM 0 H GLU A 370 -3.153 20.806 10.419 1.00 0.00 H new ATOM 0 HA GLU A 370 -3.455 17.891 10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -3.580 19.793 12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -3.512 18.043 12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -1.265 18.024 11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -1.329 19.744 11.436 1.00 0.00 H new ATOM 701 N PHE A 371 -5.926 17.862 10.274 1.00 0.00 N ATOM 702 CA PHE A 371 -7.372 17.848 10.253 1.00 0.00 C ATOM 703 C PHE A 371 -7.921 16.484 10.593 1.00 0.00 C ATOM 704 O PHE A 371 -7.274 15.459 10.365 1.00 0.00 O ATOM 705 CB PHE A 371 -7.910 18.324 8.890 1.00 0.00 C ATOM 706 CG PHE A 371 -7.325 17.609 7.706 1.00 0.00 C ATOM 707 CD1 PHE A 371 -7.910 16.453 7.219 1.00 0.00 C ATOM 708 CD2 PHE A 371 -6.194 18.098 7.078 1.00 0.00 C ATOM 709 CE1 PHE A 371 -7.374 15.798 6.130 1.00 0.00 C ATOM 710 CE2 PHE A 371 -5.654 17.449 5.990 1.00 0.00 C ATOM 711 CZ PHE A 371 -6.242 16.299 5.514 1.00 0.00 C ATOM 0 H PHE A 371 -5.483 17.029 9.887 1.00 0.00 H new ATOM 0 HA PHE A 371 -7.713 18.544 11.020 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.993 18.197 8.877 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -7.713 19.391 8.788 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -8.795 16.060 7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -5.728 19.000 7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -7.837 14.896 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -4.770 17.842 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.820 15.789 4.661 1.00 0.00 H new ATOM 721 N CYS A 372 -9.111 16.477 11.148 1.00 0.00 N ATOM 722 CA CYS A 372 -9.775 15.251 11.492 1.00 0.00 C ATOM 723 C CYS A 372 -10.228 14.571 10.227 1.00 0.00 C ATOM 724 O CYS A 372 -11.110 15.054 9.560 1.00 0.00 O ATOM 725 CB CYS A 372 -10.983 15.541 12.382 1.00 0.00 C ATOM 726 SG CYS A 372 -11.858 14.052 12.988 1.00 0.00 S ATOM 0 H CYS A 372 -9.640 17.320 11.371 1.00 0.00 H new ATOM 0 HA CYS A 372 -9.087 14.604 12.036 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -10.653 16.127 13.240 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -11.688 16.159 11.826 1.00 0.00 H new ATOM 731 N TRP A 373 -9.600 13.471 9.887 1.00 0.00 N ATOM 732 CA TRP A 373 -9.978 12.710 8.701 1.00 0.00 C ATOM 733 C TRP A 373 -11.464 12.329 8.742 1.00 0.00 C ATOM 734 O TRP A 373 -12.128 12.262 7.702 1.00 0.00 O ATOM 735 CB TRP A 373 -9.105 11.447 8.598 1.00 0.00 C ATOM 736 CG TRP A 373 -9.653 10.378 7.691 1.00 0.00 C ATOM 737 CD1 TRP A 373 -10.644 9.489 7.991 1.00 0.00 C ATOM 738 CD2 TRP A 373 -9.234 10.072 6.358 1.00 0.00 C ATOM 739 NE1 TRP A 373 -10.866 8.654 6.933 1.00 0.00 N ATOM 740 CE2 TRP A 373 -10.015 8.988 5.916 1.00 0.00 C ATOM 741 CE3 TRP A 373 -8.279 10.608 5.495 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.868 8.429 4.650 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -8.135 10.051 4.239 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.925 8.974 3.829 1.00 0.00 C ATOM 0 H TRP A 373 -8.820 13.074 10.412 1.00 0.00 H new ATOM 0 HA TRP A 373 -9.816 13.333 7.821 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -8.115 11.734 8.243 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -8.977 11.028 9.596 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -11.176 9.451 8.930 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -11.555 7.903 6.906 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.665 11.441 5.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -10.477 7.596 4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.398 10.456 3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.786 8.564 2.840 1.00 0.00 H new ATOM 755 N VAL A 374 -11.967 12.103 9.946 1.00 0.00 N ATOM 756 CA VAL A 374 -13.339 11.655 10.153 1.00 0.00 C ATOM 757 C VAL A 374 -14.353 12.653 9.590 1.00 0.00 C ATOM 758 O VAL A 374 -15.160 12.309 8.724 1.00 0.00 O ATOM 759 CB VAL A 374 -13.621 11.427 11.656 1.00 0.00 C ATOM 760 CG1 VAL A 374 -14.999 10.817 11.870 1.00 0.00 C ATOM 761 CG2 VAL A 374 -12.539 10.551 12.274 1.00 0.00 C ATOM 0 H VAL A 374 -11.437 12.225 10.809 1.00 0.00 H new ATOM 0 HA VAL A 374 -13.450 10.713 9.617 1.00 0.00 H new ATOM 0 HB VAL A 374 -13.606 12.396 12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -15.169 10.668 12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -15.760 11.488 11.471 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -15.056 9.858 11.356 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -12.753 10.401 13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -12.518 9.586 11.767 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -11.570 11.038 12.165 1.00 0.00 H new ATOM 771 N CYS A 375 -14.301 13.879 10.068 1.00 0.00 N ATOM 772 CA CYS A 375 -15.245 14.897 9.633 1.00 0.00 C ATOM 773 C CYS A 375 -14.616 15.837 8.621 1.00 0.00 C ATOM 774 O CYS A 375 -15.289 16.706 8.071 1.00 0.00 O ATOM 775 CB CYS A 375 -15.745 15.692 10.840 1.00 0.00 C ATOM 776 SG CYS A 375 -14.416 16.388 11.878 1.00 0.00 S ATOM 0 H CYS A 375 -13.619 14.198 10.756 1.00 0.00 H new ATOM 0 HA CYS A 375 -16.085 14.396 9.152 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -16.380 16.505 10.488 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -16.369 15.044 11.455 1.00 0.00 H new ATOM 781 N LEU A 376 -13.320 15.651 8.377 1.00 0.00 N ATOM 782 CA LEU A 376 -12.543 16.531 7.494 1.00 0.00 C ATOM 783 C LEU A 376 -12.537 17.969 8.022 1.00 0.00 C ATOM 784 O LEU A 376 -12.278 18.926 7.276 1.00 0.00 O ATOM 785 CB LEU A 376 -13.051 16.468 6.042 1.00 0.00 C ATOM 786 CG LEU A 376 -12.592 15.260 5.229 1.00 0.00 C ATOM 787 CD1 LEU A 376 -13.268 15.255 3.869 1.00 0.00 C ATOM 788 CD2 LEU A 376 -11.076 15.265 5.069 1.00 0.00 C ATOM 0 H LEU A 376 -12.776 14.889 8.783 1.00 0.00 H new ATOM 0 HA LEU A 376 -11.514 16.171 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -14.141 16.479 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -12.731 17.373 5.525 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.877 14.354 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.932 14.389 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -14.349 15.206 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -13.009 16.166 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.769 14.396 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -10.768 16.175 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -10.606 15.228 6.052 1.00 0.00 H new ATOM 800 N GLY A 377 -12.783 18.107 9.320 1.00 0.00 N ATOM 801 CA GLY A 377 -12.807 19.406 9.944 1.00 0.00 C ATOM 802 C GLY A 377 -11.514 19.708 10.672 1.00 0.00 C ATOM 803 O GLY A 377 -10.516 19.009 10.484 1.00 0.00 O ATOM 0 H GLY A 377 -12.968 17.329 9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.983 20.169 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -13.639 19.456 10.646 1.00 0.00 H new ATOM 807 N PRO A 378 -11.497 20.746 11.510 1.00 0.00 N ATOM 808 CA PRO A 378 -10.299 21.141 12.255 1.00 0.00 C ATOM 809 C PRO A 378 -9.936 20.125 13.337 1.00 0.00 C ATOM 810 O PRO A 378 -10.781 19.726 14.136 1.00 0.00 O ATOM 811 CB PRO A 378 -10.703 22.476 12.893 1.00 0.00 C ATOM 812 CG PRO A 378 -12.188 22.425 12.983 1.00 0.00 C ATOM 813 CD PRO A 378 -12.651 21.616 11.807 1.00 0.00 C ATOM 0 HA PRO A 378 -9.420 21.208 11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -10.252 22.596 13.878 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -10.373 23.319 12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -12.506 21.967 13.920 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -12.614 23.428 12.958 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -13.541 21.034 12.046 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -12.904 22.251 10.958 1.00 0.00 H new ATOM 821 N TRP A 379 -8.679 19.709 13.361 1.00 0.00 N ATOM 822 CA TRP A 379 -8.217 18.747 14.353 1.00 0.00 C ATOM 823 C TRP A 379 -7.991 19.421 15.701 1.00 0.00 C ATOM 824 O TRP A 379 -7.978 18.760 16.732 1.00 0.00 O ATOM 825 CB TRP A 379 -6.924 18.061 13.897 1.00 0.00 C ATOM 826 CG TRP A 379 -6.393 17.081 14.904 1.00 0.00 C ATOM 827 CD1 TRP A 379 -5.348 17.271 15.766 1.00 0.00 C ATOM 828 CD2 TRP A 379 -6.900 15.768 15.174 1.00 0.00 C ATOM 829 NE1 TRP A 379 -5.177 16.158 16.550 1.00 0.00 N ATOM 830 CE2 TRP A 379 -6.115 15.220 16.205 1.00 0.00 C ATOM 831 CE3 TRP A 379 -7.942 15.004 14.642 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -6.341 13.944 16.716 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -8.162 13.739 15.148 1.00 0.00 C ATOM 834 CH2 TRP A 379 -7.366 13.220 16.176 1.00 0.00 C ATOM 0 H TRP A 379 -7.961 20.021 12.707 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.995 17.991 14.461 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -7.107 17.543 12.955 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -6.166 18.820 13.702 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -4.746 18.166 15.821 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -4.466 16.047 17.273 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -8.563 15.396 13.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -5.729 13.542 17.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -8.963 13.138 14.743 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -7.566 12.227 16.550 1.00 0.00 H new ATOM 845 N GLU A 380 -7.823 20.738 15.677 1.00 0.00 N ATOM 846 CA GLU A 380 -7.564 21.514 16.895 1.00 0.00 C ATOM 847 C GLU A 380 -8.493 21.103 18.071 1.00 0.00 C ATOM 848 O GLU A 380 -8.000 20.745 19.144 1.00 0.00 O ATOM 849 CB GLU A 380 -7.659 23.028 16.635 1.00 0.00 C ATOM 850 CG GLU A 380 -6.795 23.534 15.489 1.00 0.00 C ATOM 851 CD GLU A 380 -7.475 23.408 14.142 1.00 0.00 C ATOM 852 OE1 GLU A 380 -7.345 22.347 13.501 1.00 0.00 O ATOM 853 OE2 GLU A 380 -8.147 24.378 13.720 1.00 0.00 O1- ATOM 0 H GLU A 380 -7.861 21.298 14.825 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.541 21.281 17.191 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -8.698 23.282 16.428 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -7.377 23.557 17.545 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -6.540 24.579 15.666 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -5.859 22.976 15.472 1.00 0.00 H new ATOM 860 N PRO A 381 -9.849 21.142 17.894 1.00 0.00 N ATOM 861 CA PRO A 381 -10.796 20.740 18.954 1.00 0.00 C ATOM 862 C PRO A 381 -10.793 19.226 19.220 1.00 0.00 C ATOM 863 O PRO A 381 -11.271 18.775 20.251 1.00 0.00 O ATOM 864 CB PRO A 381 -12.156 21.167 18.389 1.00 0.00 C ATOM 865 CG PRO A 381 -11.966 21.133 16.916 1.00 0.00 C ATOM 866 CD PRO A 381 -10.563 21.604 16.681 1.00 0.00 C ATOM 0 HA PRO A 381 -10.540 21.195 19.911 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.949 20.489 18.704 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -12.434 22.164 18.732 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -12.112 20.126 16.525 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.686 21.778 16.413 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -10.139 21.173 15.774 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -10.514 22.687 16.572 1.00 0.00 H new ATOM 874 N HIS A 382 -10.255 18.455 18.288 1.00 0.00 N ATOM 875 CA HIS A 382 -10.215 16.994 18.420 1.00 0.00 C ATOM 876 C HIS A 382 -9.009 16.545 19.239 1.00 0.00 C ATOM 877 O HIS A 382 -9.021 15.466 19.834 1.00 0.00 O ATOM 878 CB HIS A 382 -10.146 16.328 17.042 1.00 0.00 C ATOM 879 CG HIS A 382 -11.390 16.448 16.215 1.00 0.00 C ATOM 880 ND1 HIS A 382 -11.707 17.549 15.449 1.00 0.00 N ATOM 881 CD2 HIS A 382 -12.388 15.555 16.013 1.00 0.00 C ATOM 882 CE1 HIS A 382 -12.859 17.296 14.818 1.00 0.00 C ATOM 883 NE2 HIS A 382 -13.315 16.097 15.124 1.00 0.00 N ATOM 0 H HIS A 382 -9.838 18.811 17.428 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.129 16.693 18.932 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -9.316 16.763 16.486 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.919 15.271 17.178 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -11.159 18.406 15.376 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -12.455 14.578 16.468 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -13.351 17.983 14.146 1.00 0.00 H new ATOM 0 HE2 HIS A 382 -14.169 15.657 14.781 1.00 0.00 H new ATOM 891 N GLY A 383 -7.977 17.377 19.256 1.00 0.00 N ATOM 892 CA GLY A 383 -6.736 17.043 19.936 1.00 0.00 C ATOM 893 C GLY A 383 -6.875 16.894 21.441 1.00 0.00 C ATOM 894 O GLY A 383 -6.727 17.865 22.181 1.00 0.00 O ATOM 0 H GLY A 383 -7.976 18.292 18.804 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -6.347 16.112 19.524 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -5.999 17.817 19.725 1.00 0.00 H new ATOM 898 N SER A 384 -7.165 15.668 21.882 1.00 0.00 N ATOM 899 CA SER A 384 -7.262 15.332 23.305 1.00 0.00 C ATOM 900 C SER A 384 -8.268 16.223 24.048 1.00 0.00 C ATOM 901 O SER A 384 -8.063 16.567 25.216 1.00 0.00 O ATOM 902 CB SER A 384 -5.877 15.435 23.948 1.00 0.00 C ATOM 903 OG SER A 384 -4.937 14.644 23.237 1.00 0.00 O ATOM 0 H SER A 384 -7.340 14.878 21.261 1.00 0.00 H new ATOM 0 HA SER A 384 -7.631 14.309 23.383 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.551 16.475 23.959 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.926 15.106 24.986 1.00 0.00 H new ATOM 0 HG SER A 384 -4.057 14.723 23.660 1.00 0.00 H new ATOM 909 N ALA A 385 -9.358 16.565 23.386 1.00 0.00 N ATOM 910 CA ALA A 385 -10.371 17.411 23.991 1.00 0.00 C ATOM 911 C ALA A 385 -11.710 16.686 24.103 1.00 0.00 C ATOM 912 O ALA A 385 -11.814 15.504 23.778 1.00 0.00 O ATOM 913 CB ALA A 385 -10.522 18.703 23.207 1.00 0.00 C ATOM 0 H ALA A 385 -9.565 16.271 22.431 1.00 0.00 H new ATOM 0 HA ALA A 385 -10.043 17.654 25.002 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -11.285 19.325 23.674 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -9.572 19.238 23.200 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -10.817 18.475 22.183 1.00 0.00 H new ATOM 919 N TRP A 386 -12.727 17.414 24.563 1.00 0.00 N ATOM 920 CA TRP A 386 -14.085 16.878 24.755 1.00 0.00 C ATOM 921 C TRP A 386 -14.663 16.315 23.454 1.00 0.00 C ATOM 922 O TRP A 386 -15.515 15.421 23.474 1.00 0.00 O ATOM 923 CB TRP A 386 -15.010 17.991 25.267 1.00 0.00 C ATOM 924 CG TRP A 386 -15.275 19.068 24.243 1.00 0.00 C ATOM 925 CD1 TRP A 386 -14.413 20.040 23.824 1.00 0.00 C ATOM 926 CD2 TRP A 386 -16.485 19.265 23.501 1.00 0.00 C ATOM 927 NE1 TRP A 386 -15.012 20.827 22.876 1.00 0.00 N ATOM 928 CE2 TRP A 386 -16.283 20.374 22.660 1.00 0.00 C ATOM 929 CE3 TRP A 386 -17.717 18.613 23.469 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -17.267 20.842 21.795 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -18.691 19.078 22.611 1.00 0.00 C ATOM 932 CH2 TRP A 386 -18.462 20.182 21.786 1.00 0.00 C ATOM 0 H TRP A 386 -12.637 18.398 24.816 1.00 0.00 H new ATOM 0 HA TRP A 386 -14.020 16.068 25.481 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -15.959 17.552 25.575 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -14.565 18.444 26.153 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -13.404 20.170 24.187 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -14.579 21.623 22.407 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -17.905 17.760 24.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -17.092 21.694 21.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -19.649 18.580 22.576 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -19.248 20.521 21.127 1.00 0.00 H new ATOM 943 N TYR A 387 -14.202 16.862 22.344 1.00 0.00 N ATOM 944 CA TYR A 387 -14.680 16.495 21.029 1.00 0.00 C ATOM 945 C TYR A 387 -14.362 15.025 20.739 1.00 0.00 C ATOM 946 O TYR A 387 -13.196 14.638 20.674 1.00 0.00 O ATOM 947 CB TYR A 387 -14.016 17.400 19.999 1.00 0.00 C ATOM 948 CG TYR A 387 -14.825 17.637 18.748 1.00 0.00 C ATOM 949 CD1 TYR A 387 -15.142 16.598 17.891 1.00 0.00 C ATOM 950 CD2 TYR A 387 -15.267 18.912 18.423 1.00 0.00 C ATOM 951 CE1 TYR A 387 -15.878 16.820 16.745 1.00 0.00 C ATOM 952 CE2 TYR A 387 -15.999 19.141 17.280 1.00 0.00 C ATOM 953 CZ TYR A 387 -16.301 18.091 16.443 1.00 0.00 C ATOM 954 OH TYR A 387 -17.030 18.316 15.294 1.00 0.00 O ATOM 0 H TYR A 387 -13.478 17.580 22.333 1.00 0.00 H new ATOM 0 HA TYR A 387 -15.762 16.619 20.981 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -13.804 18.362 20.465 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -13.058 16.964 19.717 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -14.808 15.597 18.123 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -15.033 19.738 19.078 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -16.120 15.998 16.088 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -16.335 20.139 17.041 1.00 0.00 H new ATOM 0 HH TYR A 387 -17.252 19.268 15.229 1.00 0.00 H new ATOM 964 N ASN A 388 -15.400 14.217 20.568 1.00 0.00 N ATOM 965 CA ASN A 388 -15.218 12.786 20.332 1.00 0.00 C ATOM 966 C ASN A 388 -15.426 12.435 18.864 1.00 0.00 C ATOM 967 O ASN A 388 -14.832 11.478 18.355 1.00 0.00 O ATOM 968 CB ASN A 388 -16.153 11.956 21.236 1.00 0.00 C ATOM 969 CG ASN A 388 -17.609 11.971 20.795 1.00 0.00 C ATOM 970 OD1 ASN A 388 -18.062 11.082 20.083 1.00 0.00 O ATOM 971 ND2 ASN A 388 -18.343 12.975 21.212 1.00 0.00 N ATOM 0 H ASN A 388 -16.373 14.523 20.588 1.00 0.00 H new ATOM 0 HA ASN A 388 -14.189 12.536 20.589 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -15.801 10.925 21.257 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -16.088 12.336 22.256 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -19.326 13.034 20.945 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -17.931 13.697 21.804 1.00 0.00 H new ATOM 978 N CYS A 389 -16.288 13.208 18.197 1.00 0.00 N ATOM 979 CA CYS A 389 -16.571 13.058 16.752 1.00 0.00 C ATOM 980 C CYS A 389 -17.059 11.637 16.403 1.00 0.00 C ATOM 981 O CYS A 389 -17.055 11.249 15.236 1.00 0.00 O ATOM 982 CB CYS A 389 -15.302 13.397 15.952 1.00 0.00 C ATOM 983 SG CYS A 389 -15.566 13.726 14.176 1.00 0.00 S ATOM 0 H CYS A 389 -16.815 13.961 18.639 1.00 0.00 H new ATOM 0 HA CYS A 389 -17.374 13.746 16.488 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -14.832 14.272 16.401 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -14.598 12.571 16.051 1.00 0.00 H new ATOM 988 N ASN A 390 -17.493 10.883 17.427 1.00 0.00 N ATOM 989 CA ASN A 390 -17.927 9.476 17.288 1.00 0.00 C ATOM 990 C ASN A 390 -16.971 8.669 16.398 1.00 0.00 C ATOM 991 O ASN A 390 -17.361 7.706 15.743 1.00 0.00 O ATOM 992 CB ASN A 390 -19.406 9.352 16.819 1.00 0.00 C ATOM 993 CG ASN A 390 -19.679 9.851 15.404 1.00 0.00 C ATOM 994 OD1 ASN A 390 -20.009 11.023 15.192 1.00 0.00 O ATOM 995 ND2 ASN A 390 -19.567 8.965 14.431 1.00 0.00 N ATOM 0 H ASN A 390 -17.554 11.232 18.383 1.00 0.00 H new ATOM 0 HA ASN A 390 -17.884 9.038 18.285 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -19.705 8.306 16.883 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -20.039 9.907 17.512 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -19.755 9.240 13.467 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -19.292 8.006 14.644 1.00 0.00 H new ATOM 1002 N ARG A 391 -15.694 9.043 16.439 1.00 0.00 N ATOM 1003 CA ARG A 391 -14.663 8.406 15.620 1.00 0.00 C ATOM 1004 C ARG A 391 -14.361 6.985 16.087 1.00 0.00 C ATOM 1005 O ARG A 391 -13.701 6.217 15.396 1.00 0.00 O ATOM 1006 CB ARG A 391 -13.386 9.275 15.589 1.00 0.00 C ATOM 1007 CG ARG A 391 -12.763 9.587 16.955 1.00 0.00 C ATOM 1008 CD ARG A 391 -11.876 8.454 17.445 1.00 0.00 C ATOM 1009 NE ARG A 391 -11.307 8.723 18.768 1.00 0.00 N ATOM 1010 CZ ARG A 391 -10.469 7.896 19.404 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -10.086 6.762 18.827 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -10.016 8.208 20.611 1.00 0.00 N ATOM 0 H ARG A 391 -15.345 9.792 17.037 1.00 0.00 H new ATOM 0 HA ARG A 391 -15.047 8.326 14.603 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -12.639 8.770 14.976 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -13.621 10.217 15.093 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -12.177 10.503 16.886 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -13.554 9.769 17.682 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -12.456 7.532 17.483 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -11.068 8.293 16.731 1.00 0.00 H new ATOM 0 HE ARG A 391 -11.565 9.594 19.233 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -10.431 6.521 17.898 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -9.447 6.133 19.313 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -10.306 9.079 21.055 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -9.377 7.577 21.095 1.00 0.00 H new ATOM 1026 N TYR A 392 -14.836 6.654 17.265 1.00 0.00 N ATOM 1027 CA TYR A 392 -14.644 5.321 17.824 1.00 0.00 C ATOM 1028 C TYR A 392 -15.978 4.672 18.148 1.00 0.00 C ATOM 1029 O TYR A 392 -16.056 3.477 18.416 1.00 0.00 O ATOM 1030 CB TYR A 392 -13.780 5.395 19.079 1.00 0.00 C ATOM 1031 CG TYR A 392 -14.331 6.303 20.162 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -14.069 7.664 20.150 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -15.104 5.796 21.198 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -14.558 8.494 21.132 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -15.597 6.621 22.187 1.00 0.00 C ATOM 1036 CZ TYR A 392 -15.320 7.969 22.150 1.00 0.00 C ATOM 1037 OH TYR A 392 -15.803 8.791 23.137 1.00 0.00 O ATOM 0 H TYR A 392 -15.363 7.289 17.864 1.00 0.00 H new ATOM 0 HA TYR A 392 -14.137 4.709 17.078 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -13.665 4.391 19.487 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -12.785 5.742 18.801 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -13.469 8.081 19.354 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -15.323 4.739 21.230 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -14.345 9.552 21.104 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -16.197 6.212 22.986 1.00 0.00 H new ATOM 0 HH TYR A 392 -16.322 8.262 23.778 1.00 0.00 H new ATOM 1047 N ASN A 393 -17.018 5.466 18.113 1.00 0.00 N ATOM 1048 CA ASN A 393 -18.354 4.999 18.445 1.00 0.00 C ATOM 1049 C ASN A 393 -19.247 4.992 17.218 1.00 0.00 C ATOM 1050 O ASN A 393 -19.395 6.010 16.541 1.00 0.00 O ATOM 1051 CB ASN A 393 -18.965 5.876 19.546 1.00 0.00 C ATOM 1052 CG ASN A 393 -20.431 5.563 19.823 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -21.328 6.176 19.244 1.00 0.00 O ATOM 1054 ND2 ASN A 393 -20.681 4.618 20.715 1.00 0.00 N ATOM 0 H ASN A 393 -16.971 6.452 17.856 1.00 0.00 H new ATOM 0 HA ASN A 393 -18.276 3.976 18.813 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -18.393 5.745 20.465 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -18.872 6.924 19.260 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -21.645 4.375 20.944 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -19.910 4.133 21.173 1.00 0.00 H new ATOM 1061 N GLU A 394 -19.820 3.842 16.926 1.00 0.00 N ATOM 1062 CA GLU A 394 -20.725 3.707 15.807 1.00 0.00 C ATOM 1063 C GLU A 394 -22.077 4.299 16.163 1.00 0.00 C ATOM 1064 O GLU A 394 -22.443 4.367 17.339 1.00 0.00 O ATOM 1065 CB GLU A 394 -20.871 2.237 15.415 1.00 0.00 C ATOM 1066 CG GLU A 394 -19.592 1.624 14.871 1.00 0.00 C ATOM 1067 CD GLU A 394 -19.166 2.246 13.558 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -18.603 3.359 13.572 1.00 0.00 O ATOM 1069 OE2 GLU A 394 -19.393 1.624 12.500 1.00 0.00 O1- ATOM 0 H GLU A 394 -19.672 2.982 17.454 1.00 0.00 H new ATOM 0 HA GLU A 394 -20.317 4.250 14.954 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -21.195 1.668 16.286 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -21.656 2.146 14.664 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -18.794 1.746 15.603 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -19.736 0.553 14.732 1.00 0.00 H new ATOM 1076 N ASP A 395 -22.820 4.714 15.158 1.00 0.00 N ATOM 1077 CA ASP A 395 -24.107 5.350 15.382 1.00 0.00 C ATOM 1078 C ASP A 395 -25.138 4.318 15.780 1.00 0.00 C ATOM 1079 O ASP A 395 -26.067 4.603 16.533 1.00 0.00 O ATOM 1080 CB ASP A 395 -24.561 6.093 14.125 1.00 0.00 C ATOM 1081 CG ASP A 395 -25.793 6.942 14.363 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -25.642 8.094 14.826 1.00 0.00 O ATOM 1083 OD2 ASP A 395 -26.915 6.468 14.081 1.00 0.00 O1- ATOM 0 H ASP A 395 -22.557 4.623 14.177 1.00 0.00 H new ATOM 0 HA ASP A 395 -24.001 6.071 16.193 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -23.750 6.728 13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -24.769 5.371 13.336 1.00 0.00 H new ATOM 1088 N ASP A 396 -24.947 3.113 15.297 1.00 0.00 N ATOM 1089 CA ASP A 396 -25.861 2.032 15.564 1.00 0.00 C ATOM 1090 C ASP A 396 -25.104 0.805 16.036 1.00 0.00 C ATOM 1091 O ASP A 396 -24.686 -0.009 15.182 1.00 0.00 O ATOM 1092 CB ASP A 396 -26.657 1.719 14.309 1.00 0.00 C ATOM 1093 CG ASP A 396 -27.692 0.636 14.522 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -28.613 0.843 15.338 1.00 0.00 O ATOM 1095 OD2 ASP A 396 -27.606 -0.414 13.852 1.00 0.00 O1- ATOM 1096 OXT ASP A 396 -24.908 0.666 17.253 1.00 0.00 O ATOM 0 H ASP A 396 -24.154 2.856 14.709 1.00 0.00 H new ATOM 0 HA ASP A 396 -26.549 2.331 16.355 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -27.154 2.626 13.964 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -25.973 1.410 13.519 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.207 20.328 2.741 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -13.888 14.892 13.405 1.00 0.00 ZN