USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 305 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 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 28:sc= 0.58 USER MOD Set 2.1: A 405 SER OG : rot 180:sc= 0.748 USER MOD Set 2.2: A 420 ASN : amide:sc= 0.828 K(o=1.6,f=-3.9!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.3 F(o=-2.3!,f=-0.3) USER MOD Single : A 391 LYS NZ :NH3+ 178:sc= 1.01 (180deg=1.01) USER MOD Single : A 393 THR OG1 : rot -42:sc= 0.545 USER MOD Single : A 397 LYS NZ :NH3+ 174:sc=-0.000217 (180deg=-0.0859) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ -140:sc= 0.39 (180deg=-0.491) USER MOD Single : A 407 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-2) USER MOD Single : A 408 LYS NZ :NH3+ -161:sc= 0.493 (180deg=0.189) USER MOD Single : A 411 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0905) USER MOD Single : A 415 LYS NZ :NH3+ 164:sc= -0.142 (180deg=-0.41) USER MOD Single : A 416 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 418 GLN :FLIP amide:sc= -1.75! C(o=-5.5!,f=-1.8!) USER MOD Single : A 423 LYS NZ :NH3+ -129:sc= 1.02 (180deg=0.459) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.157 11.630 0.419 1.00 0.00 N ATOM 33 CA SER A 384 -5.548 10.937 -0.702 1.00 0.00 C ATOM 34 C SER A 384 -5.313 9.476 -0.338 1.00 0.00 C ATOM 35 O SER A 384 -4.499 9.175 0.533 1.00 0.00 O ATOM 36 CB SER A 384 -4.225 11.622 -1.078 1.00 0.00 C ATOM 37 OG SER A 384 -3.558 10.954 -2.141 1.00 0.00 O ATOM 0 HA SER A 384 -6.217 10.977 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.422 12.655 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.573 11.654 -0.205 1.00 0.00 H new ATOM 0 HG SER A 384 -2.723 11.423 -2.349 1.00 0.00 H new ATOM 43 N PRO A 385 -6.038 8.548 -0.982 1.00 0.00 N ATOM 44 CA PRO A 385 -5.917 7.118 -0.699 1.00 0.00 C ATOM 45 C PRO A 385 -4.492 6.612 -0.897 1.00 0.00 C ATOM 46 O PRO A 385 -4.009 5.771 -0.136 1.00 0.00 O ATOM 47 CB PRO A 385 -6.872 6.451 -1.696 1.00 0.00 C ATOM 48 CG PRO A 385 -7.185 7.497 -2.713 1.00 0.00 C ATOM 49 CD PRO A 385 -7.049 8.817 -2.014 1.00 0.00 C ATOM 0 HA PRO A 385 -6.161 6.893 0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.409 5.580 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.778 6.104 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.502 7.433 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.193 7.367 -3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.728 9.603 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.994 9.141 -1.577 1.00 0.00 H new ATOM 57 N GLU A 386 -3.801 7.165 -1.891 1.00 0.00 N ATOM 58 CA GLU A 386 -2.416 6.800 -2.144 1.00 0.00 C ATOM 59 C GLU A 386 -1.529 7.234 -0.981 1.00 0.00 C ATOM 60 O GLU A 386 -0.749 6.438 -0.460 1.00 0.00 O ATOM 61 CB GLU A 386 -1.920 7.421 -3.452 1.00 0.00 C ATOM 62 CG GLU A 386 -0.506 7.004 -3.821 1.00 0.00 C ATOM 63 CD GLU A 386 -0.082 7.493 -5.190 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.910 8.102 -5.898 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.087 7.264 -5.570 1.00 0.00 O ATOM 0 H GLU A 386 -4.179 7.864 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.362 5.715 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.596 7.138 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.960 8.507 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.187 7.389 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.435 5.917 -3.792 1.00 0.00 H new ATOM 72 N ALA A 387 -1.707 8.474 -0.536 1.00 0.00 N ATOM 73 CA ALA A 387 -0.954 9.001 0.596 1.00 0.00 C ATOM 74 C ALA A 387 -1.276 8.232 1.874 1.00 0.00 C ATOM 75 O ALA A 387 -0.377 7.877 2.638 1.00 0.00 O ATOM 76 CB ALA A 387 -1.241 10.481 0.782 1.00 0.00 C ATOM 0 H ALA A 387 -2.369 9.134 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 387 0.108 8.875 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.671 10.858 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.953 11.023 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.306 10.625 0.967 1.00 0.00 H new ATOM 82 N GLU A 388 -2.559 7.956 2.081 1.00 0.00 N ATOM 83 CA GLU A 388 -3.011 7.211 3.251 1.00 0.00 C ATOM 84 C GLU A 388 -2.375 5.824 3.295 1.00 0.00 C ATOM 85 O GLU A 388 -1.931 5.369 4.346 1.00 0.00 O ATOM 86 CB GLU A 388 -4.538 7.104 3.256 1.00 0.00 C ATOM 87 CG GLU A 388 -5.228 8.443 3.467 1.00 0.00 C ATOM 88 CD GLU A 388 -6.740 8.363 3.377 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.275 7.281 3.052 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.406 9.389 3.631 1.00 0.00 O ATOM 0 H GLU A 388 -3.309 8.239 1.450 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.697 7.753 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.870 6.676 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.846 6.415 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.950 8.836 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.864 9.152 2.723 1.00 0.00 H new ATOM 97 N CYS A 389 -2.277 5.188 2.139 1.00 0.00 N ATOM 98 CA CYS A 389 -1.627 3.889 2.029 1.00 0.00 C ATOM 99 C CYS A 389 -0.110 4.014 2.204 1.00 0.00 C ATOM 100 O CYS A 389 0.521 3.184 2.856 1.00 0.00 O ATOM 101 CB CYS A 389 -1.950 3.266 0.670 1.00 0.00 C ATOM 102 SG CYS A 389 -0.964 1.795 0.257 1.00 0.00 S ATOM 0 H CYS A 389 -2.641 5.551 1.258 1.00 0.00 H new ATOM 0 HA CYS A 389 -2.005 3.246 2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -3.006 2.996 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.799 4.018 -0.105 1.00 0.00 H new ATOM 107 N ASN A 390 0.468 5.043 1.585 1.00 0.00 N ATOM 108 CA ASN A 390 1.920 5.246 1.580 1.00 0.00 C ATOM 109 C ASN A 390 2.526 5.277 2.982 1.00 0.00 C ATOM 110 O ASN A 390 3.683 4.891 3.161 1.00 0.00 O ATOM 111 CB ASN A 390 2.281 6.541 0.843 1.00 0.00 C ATOM 112 CG ASN A 390 2.436 6.363 -0.662 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.347 5.134 -1.145 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.663 7.330 -1.390 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.052 5.757 1.075 1.00 0.00 H new ATOM 0 HA ASN A 390 2.343 4.387 1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.509 7.286 1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.212 6.935 1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.726 8.266 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.788 7.195 -2.393 1.00 0.00 H new ATOM 121 N LYS A 391 1.784 5.802 3.955 1.00 0.00 N ATOM 122 CA LYS A 391 2.307 5.951 5.312 1.00 0.00 C ATOM 123 C LYS A 391 2.678 4.598 5.924 1.00 0.00 C ATOM 124 O LYS A 391 3.607 4.513 6.729 1.00 0.00 O ATOM 125 CB LYS A 391 1.309 6.679 6.222 1.00 0.00 C ATOM 126 CG LYS A 391 0.051 5.883 6.529 1.00 0.00 C ATOM 127 CD LYS A 391 -0.704 6.472 7.707 1.00 0.00 C ATOM 128 CE LYS A 391 -1.979 5.699 8.004 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.996 5.870 6.933 1.00 0.00 N ATOM 0 H LYS A 391 0.826 6.129 3.831 1.00 0.00 H new ATOM 0 HA LYS A 391 3.211 6.555 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.805 6.929 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.024 7.620 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.595 5.868 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.317 4.849 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.063 6.468 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.951 7.513 7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.744 4.640 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.393 6.035 8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -3.836 5.300 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -3.265 6.872 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.599 5.557 6.024 1.00 0.00 H new ATOM 143 N ILE A 392 1.963 3.546 5.532 1.00 0.00 N ATOM 144 CA ILE A 392 2.241 2.203 6.030 1.00 0.00 C ATOM 145 C ILE A 392 3.647 1.774 5.616 1.00 0.00 C ATOM 146 O ILE A 392 4.075 2.034 4.497 1.00 0.00 O ATOM 147 CB ILE A 392 1.219 1.171 5.499 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.221 1.632 5.759 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.457 -0.195 6.129 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.557 1.798 7.226 1.00 0.00 C ATOM 0 H ILE A 392 1.188 3.599 4.871 1.00 0.00 H new ATOM 0 HA ILE A 392 2.162 2.235 7.117 1.00 0.00 H new ATOM 0 HB ILE A 392 1.360 1.089 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.386 2.581 5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.908 0.910 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.727 -0.906 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.463 -0.538 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.352 -0.120 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.592 2.126 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.426 0.845 7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.104 2.543 7.669 1.00 0.00 H new ATOM 162 N THR A 393 4.386 1.174 6.532 1.00 0.00 N ATOM 163 CA THR A 393 5.757 0.780 6.251 1.00 0.00 C ATOM 164 C THR A 393 6.012 -0.638 6.759 1.00 0.00 C ATOM 165 O THR A 393 7.154 -1.060 6.950 1.00 0.00 O ATOM 166 CB THR A 393 6.759 1.779 6.882 1.00 0.00 C ATOM 167 OG1 THR A 393 8.097 1.495 6.452 1.00 0.00 O ATOM 168 CG2 THR A 393 6.687 1.740 8.402 1.00 0.00 C ATOM 0 H THR A 393 4.063 0.949 7.473 1.00 0.00 H new ATOM 0 HA THR A 393 5.907 0.794 5.171 1.00 0.00 H new ATOM 0 HB THR A 393 6.484 2.779 6.547 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.243 0.526 6.456 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.401 2.451 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.680 2.005 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.928 0.736 8.752 1.00 0.00 H new ATOM 176 N GLU A 394 4.937 -1.405 6.862 1.00 0.00 N ATOM 177 CA GLU A 394 5.017 -2.802 7.255 1.00 0.00 C ATOM 178 C GLU A 394 4.208 -3.658 6.295 1.00 0.00 C ATOM 179 O GLU A 394 3.075 -3.313 5.961 1.00 0.00 O ATOM 180 CB GLU A 394 4.494 -2.977 8.679 1.00 0.00 C ATOM 181 CG GLU A 394 5.397 -2.367 9.734 1.00 0.00 C ATOM 182 CD GLU A 394 6.635 -3.199 9.990 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.415 -3.441 9.046 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.830 -3.627 11.144 1.00 0.00 O ATOM 0 H GLU A 394 3.989 -1.078 6.676 1.00 0.00 H new ATOM 0 HA GLU A 394 6.059 -3.119 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.505 -2.524 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.374 -4.041 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.694 -1.367 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.840 -2.255 10.664 1.00 0.00 H new ATOM 191 N GLU A 395 4.806 -4.743 5.821 1.00 0.00 N ATOM 192 CA GLU A 395 4.158 -5.608 4.844 1.00 0.00 C ATOM 193 C GLU A 395 2.857 -6.223 5.379 1.00 0.00 C ATOM 194 O GLU A 395 1.829 -6.114 4.722 1.00 0.00 O ATOM 195 CB GLU A 395 5.115 -6.702 4.364 1.00 0.00 C ATOM 196 CG GLU A 395 4.471 -7.684 3.397 1.00 0.00 C ATOM 197 CD GLU A 395 5.461 -8.646 2.775 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.685 -8.445 2.929 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.017 -9.603 2.107 1.00 0.00 O ATOM 0 H GLU A 395 5.740 -5.045 6.098 1.00 0.00 H new ATOM 0 HA GLU A 395 3.890 -4.980 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.974 -6.237 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.493 -7.249 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.704 -8.252 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.969 -7.128 2.606 1.00 0.00 H new ATOM 206 N PRO A 396 2.854 -6.865 6.571 1.00 0.00 N ATOM 207 CA PRO A 396 1.634 -7.480 7.115 1.00 0.00 C ATOM 208 C PRO A 396 0.491 -6.475 7.245 1.00 0.00 C ATOM 209 O PRO A 396 -0.637 -6.742 6.834 1.00 0.00 O ATOM 210 CB PRO A 396 2.064 -7.983 8.497 1.00 0.00 C ATOM 211 CG PRO A 396 3.541 -8.138 8.406 1.00 0.00 C ATOM 212 CD PRO A 396 4.010 -7.063 7.468 1.00 0.00 C ATOM 0 HA PRO A 396 1.253 -8.268 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.789 -7.275 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.582 -8.930 8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.006 -8.032 9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.808 -9.126 8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.266 -6.148 8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.899 -7.370 6.917 1.00 0.00 H new ATOM 220 N LYS A 397 0.808 -5.301 7.773 1.00 0.00 N ATOM 221 CA LYS A 397 -0.176 -4.239 7.946 1.00 0.00 C ATOM 222 C LYS A 397 -0.656 -3.706 6.598 1.00 0.00 C ATOM 223 O LYS A 397 -1.853 -3.516 6.390 1.00 0.00 O ATOM 224 CB LYS A 397 0.419 -3.116 8.796 1.00 0.00 C ATOM 225 CG LYS A 397 0.695 -3.541 10.230 1.00 0.00 C ATOM 226 CD LYS A 397 1.450 -2.475 11.006 1.00 0.00 C ATOM 227 CE LYS A 397 1.548 -2.824 12.484 1.00 0.00 C ATOM 228 NZ LYS A 397 2.209 -4.137 12.715 1.00 0.00 N ATOM 0 H LYS A 397 1.746 -5.058 8.091 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.044 -4.650 8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.348 -2.774 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.266 -2.268 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.248 -3.755 10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.272 -4.466 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.451 -2.362 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.947 -1.515 10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.105 -2.044 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 397 0.548 -2.843 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.343 -4.283 13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 1.613 -4.898 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 3.134 -4.149 12.239 1.00 0.00 H new ATOM 242 N CYS A 398 0.277 -3.515 5.676 1.00 0.00 N ATOM 243 CA CYS A 398 -0.050 -3.048 4.332 1.00 0.00 C ATOM 244 C CYS A 398 -0.901 -4.089 3.604 1.00 0.00 C ATOM 245 O CYS A 398 -1.862 -3.757 2.910 1.00 0.00 O ATOM 246 CB CYS A 398 1.239 -2.780 3.549 1.00 0.00 C ATOM 247 SG CYS A 398 0.998 -1.924 1.963 1.00 0.00 S ATOM 0 H CYS A 398 1.272 -3.677 5.833 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.621 -2.122 4.407 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.908 -2.185 4.170 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.739 -3.730 3.362 1.00 0.00 H new ATOM 252 N SER A 399 -0.556 -5.355 3.810 1.00 0.00 N ATOM 253 CA SER A 399 -1.278 -6.476 3.228 1.00 0.00 C ATOM 254 C SER A 399 -2.724 -6.509 3.723 1.00 0.00 C ATOM 255 O SER A 399 -3.644 -6.799 2.956 1.00 0.00 O ATOM 256 CB SER A 399 -0.553 -7.781 3.581 1.00 0.00 C ATOM 257 OG SER A 399 -1.218 -8.918 3.058 1.00 0.00 O ATOM 0 H SER A 399 0.237 -5.632 4.389 1.00 0.00 H new ATOM 0 HA SER A 399 -1.304 -6.360 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.465 -7.746 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.478 -7.872 4.665 1.00 0.00 H new ATOM 0 HG SER A 399 -0.724 -9.728 3.304 1.00 0.00 H new ATOM 263 N GLU A 400 -2.914 -6.176 4.998 1.00 0.00 N ATOM 264 CA GLU A 400 -4.241 -6.141 5.604 1.00 0.00 C ATOM 265 C GLU A 400 -5.149 -5.155 4.868 1.00 0.00 C ATOM 266 O GLU A 400 -6.351 -5.385 4.732 1.00 0.00 O ATOM 267 CB GLU A 400 -4.136 -5.752 7.081 1.00 0.00 C ATOM 268 CG GLU A 400 -5.437 -5.919 7.846 1.00 0.00 C ATOM 269 CD GLU A 400 -5.373 -5.353 9.248 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.452 -5.723 10.007 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.258 -4.544 9.607 1.00 0.00 O ATOM 0 H GLU A 400 -2.158 -5.925 5.635 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.678 -7.136 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.365 -6.360 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.812 -4.714 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -6.241 -5.428 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.688 -6.978 7.898 1.00 0.00 H new ATOM 278 N GLU A 401 -4.560 -4.068 4.382 1.00 0.00 N ATOM 279 CA GLU A 401 -5.301 -3.052 3.646 1.00 0.00 C ATOM 280 C GLU A 401 -5.855 -3.614 2.340 1.00 0.00 C ATOM 281 O GLU A 401 -5.225 -4.448 1.690 1.00 0.00 O ATOM 282 CB GLU A 401 -4.409 -1.844 3.359 1.00 0.00 C ATOM 283 CG GLU A 401 -3.882 -1.171 4.614 1.00 0.00 C ATOM 284 CD GLU A 401 -4.985 -0.588 5.472 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.152 -0.545 5.016 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.691 -0.158 6.607 1.00 0.00 O ATOM 0 H GLU A 401 -3.565 -3.868 4.486 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.140 -2.735 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.566 -2.162 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.972 -1.116 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.316 -1.896 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.189 -0.378 4.332 1.00 0.00 H new ATOM 293 N LYS A 402 -7.054 -3.179 1.985 1.00 0.00 N ATOM 294 CA LYS A 402 -7.713 -3.645 0.776 1.00 0.00 C ATOM 295 C LYS A 402 -7.294 -2.800 -0.419 1.00 0.00 C ATOM 296 O LYS A 402 -6.644 -3.283 -1.348 1.00 0.00 O ATOM 297 CB LYS A 402 -9.234 -3.576 0.945 1.00 0.00 C ATOM 298 CG LYS A 402 -9.755 -4.375 2.126 1.00 0.00 C ATOM 299 CD LYS A 402 -9.582 -5.867 1.908 1.00 0.00 C ATOM 300 CE LYS A 402 -9.873 -6.650 3.176 1.00 0.00 C ATOM 301 NZ LYS A 402 -8.893 -6.344 4.250 1.00 0.00 N ATOM 0 H LYS A 402 -7.593 -2.499 2.521 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.416 -4.679 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.530 -2.534 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.709 -3.940 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.227 -4.075 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.810 -4.149 2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.249 -6.200 1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -8.564 -6.072 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.879 -6.417 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -9.851 -7.718 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -8.647 -7.219 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -8.034 -5.934 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -9.310 -5.664 4.918 1.00 0.00 H new ATOM 315 N ILE A 403 -7.633 -1.520 -0.361 1.00 0.00 N ATOM 316 CA ILE A 403 -7.330 -0.580 -1.435 1.00 0.00 C ATOM 317 C ILE A 403 -5.896 -0.042 -1.291 1.00 0.00 C ATOM 318 O ILE A 403 -5.599 1.124 -1.556 1.00 0.00 O ATOM 319 CB ILE A 403 -8.381 0.562 -1.440 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.310 1.375 -2.735 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.217 1.463 -0.219 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.404 2.415 -2.856 1.00 0.00 C ATOM 0 H ILE A 403 -8.125 -1.103 0.429 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.385 -1.093 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.369 0.104 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.341 1.871 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.370 0.695 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.966 2.255 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.347 0.873 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.221 1.906 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.292 2.953 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.377 1.924 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.332 3.117 -2.026 1.00 0.00 H new ATOM 334 N CYS A 404 -5.006 -0.932 -0.885 1.00 0.00 N ATOM 335 CA CYS A 404 -3.611 -0.603 -0.662 1.00 0.00 C ATOM 336 C CYS A 404 -2.799 -1.889 -0.622 1.00 0.00 C ATOM 337 O CYS A 404 -3.343 -2.950 -0.311 1.00 0.00 O ATOM 338 CB CYS A 404 -3.484 0.185 0.637 1.00 0.00 C ATOM 339 SG CYS A 404 -1.813 0.295 1.320 1.00 0.00 S ATOM 0 H CYS A 404 -5.234 -1.909 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.226 0.017 -1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.855 1.196 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -4.134 -0.272 1.384 1.00 0.00 H new ATOM 344 N SER A 405 -1.583 -1.841 -1.148 1.00 0.00 N ATOM 345 CA SER A 405 -0.804 -3.057 -1.357 1.00 0.00 C ATOM 346 C SER A 405 0.700 -2.795 -1.263 1.00 0.00 C ATOM 347 O SER A 405 1.156 -1.663 -1.429 1.00 0.00 O ATOM 348 CB SER A 405 -1.148 -3.656 -2.722 1.00 0.00 C ATOM 349 OG SER A 405 -2.542 -3.912 -2.832 1.00 0.00 O ATOM 0 H SER A 405 -1.116 -0.981 -1.436 1.00 0.00 H new ATOM 0 HA SER A 405 -1.062 -3.762 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 405 -0.837 -2.972 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.592 -4.583 -2.866 1.00 0.00 H new ATOM 0 HG SER A 405 -2.736 -4.293 -3.714 1.00 0.00 H new ATOM 355 N TRP A 406 1.449 -3.840 -0.915 1.00 0.00 N ATOM 356 CA TRP A 406 2.893 -3.739 -0.711 1.00 0.00 C ATOM 357 C TRP A 406 3.644 -3.675 -2.050 1.00 0.00 C ATOM 358 O TRP A 406 3.038 -3.704 -3.128 1.00 0.00 O ATOM 359 CB TRP A 406 3.385 -4.930 0.126 1.00 0.00 C ATOM 360 CG TRP A 406 4.735 -4.723 0.751 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.861 -5.457 0.527 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.095 -3.728 1.719 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.900 -4.968 1.273 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.456 -3.911 2.018 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.402 -2.698 2.355 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.134 -3.106 2.925 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.076 -1.899 3.257 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.430 -2.106 3.533 1.00 0.00 C ATOM 0 H TRP A 406 1.074 -4.777 -0.767 1.00 0.00 H new ATOM 0 HA TRP A 406 3.099 -2.814 -0.173 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.659 -5.132 0.913 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.422 -5.816 -0.508 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.925 -6.302 -0.142 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.852 -5.334 1.273 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.356 -2.528 2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.180 -3.265 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.548 -1.101 3.757 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.930 -1.462 4.241 1.00 0.00 H new ATOM 379 N HIS A 407 4.955 -3.492 -1.966 1.00 0.00 N ATOM 380 CA HIS A 407 5.809 -3.311 -3.134 1.00 0.00 C ATOM 381 C HIS A 407 7.250 -3.651 -2.756 1.00 0.00 C ATOM 382 O HIS A 407 8.046 -2.754 -2.486 1.00 0.00 O ATOM 383 CB HIS A 407 5.718 -1.855 -3.602 1.00 0.00 C ATOM 384 CG HIS A 407 6.183 -1.589 -4.998 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.399 -2.003 -5.482 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.609 -0.873 -5.994 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.556 -1.551 -6.706 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.486 -0.861 -7.048 1.00 0.00 N ATOM 0 H HIS A 407 5.460 -3.465 -1.080 1.00 0.00 H new ATOM 0 HA HIS A 407 5.485 -3.967 -3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.681 -1.530 -3.517 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.303 -1.237 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.639 -0.399 -5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.421 -1.718 -7.330 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.336 -0.397 -7.944 1.00 0.00 H new ATOM 397 N LYS A 408 7.514 -4.941 -2.562 1.00 0.00 N ATOM 398 CA LYS A 408 8.802 -5.416 -2.038 1.00 0.00 C ATOM 399 C LYS A 408 10.000 -4.782 -2.749 1.00 0.00 C ATOM 400 O LYS A 408 10.906 -4.251 -2.103 1.00 0.00 O ATOM 401 CB LYS A 408 8.895 -6.939 -2.158 1.00 0.00 C ATOM 402 CG LYS A 408 7.952 -7.688 -1.237 1.00 0.00 C ATOM 403 CD LYS A 408 7.968 -9.179 -1.529 1.00 0.00 C ATOM 404 CE LYS A 408 7.038 -9.940 -0.599 1.00 0.00 C ATOM 405 NZ LYS A 408 7.553 -9.997 0.796 1.00 0.00 N ATOM 0 H LYS A 408 6.848 -5.687 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 408 8.841 -5.116 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.684 -7.226 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.918 -7.248 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 408 8.239 -7.515 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.940 -7.302 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.670 -9.351 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.983 -9.561 -1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 408 6.057 -9.465 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.902 -10.954 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 7.081 -10.769 1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 8.579 -10.168 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 7.359 -9.094 1.275 1.00 0.00 H new ATOM 419 N GLU A 409 10.023 -4.858 -4.069 1.00 0.00 N ATOM 420 CA GLU A 409 11.127 -4.301 -4.837 1.00 0.00 C ATOM 421 C GLU A 409 10.730 -2.962 -5.445 1.00 0.00 C ATOM 422 O GLU A 409 10.164 -2.908 -6.536 1.00 0.00 O ATOM 423 CB GLU A 409 11.568 -5.278 -5.927 1.00 0.00 C ATOM 424 CG GLU A 409 12.778 -4.801 -6.712 1.00 0.00 C ATOM 425 CD GLU A 409 13.290 -5.832 -7.693 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.719 -6.938 -7.757 1.00 0.00 O ATOM 427 OE2 GLU A 409 14.278 -5.544 -8.398 1.00 0.00 O ATOM 0 H GLU A 409 9.294 -5.298 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 409 11.968 -4.137 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.797 -6.241 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.739 -5.441 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.518 -3.891 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.576 -4.541 -6.017 1.00 0.00 H new ATOM 434 N VAL A 410 10.978 -1.890 -4.711 1.00 0.00 N ATOM 435 CA VAL A 410 10.598 -0.555 -5.153 1.00 0.00 C ATOM 436 C VAL A 410 11.600 0.037 -6.135 1.00 0.00 C ATOM 437 O VAL A 410 12.814 -0.041 -5.932 1.00 0.00 O ATOM 438 CB VAL A 410 10.428 0.415 -3.967 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.197 0.056 -3.163 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.659 0.412 -3.074 1.00 0.00 C ATOM 0 H VAL A 410 11.442 -1.917 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 410 9.640 -0.675 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 410 10.305 1.420 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.092 0.750 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.315 0.118 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.297 -0.959 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.510 1.105 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.821 -0.592 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.529 0.720 -3.653 1.00 0.00 H new ATOM 450 N LYS A 411 11.079 0.730 -7.135 1.00 0.00 N ATOM 451 CA LYS A 411 11.912 1.508 -8.032 1.00 0.00 C ATOM 452 C LYS A 411 12.127 2.884 -7.413 1.00 0.00 C ATOM 453 O LYS A 411 11.241 3.387 -6.721 1.00 0.00 O ATOM 454 CB LYS A 411 11.251 1.636 -9.409 1.00 0.00 C ATOM 455 CG LYS A 411 12.132 2.303 -10.451 1.00 0.00 C ATOM 456 CD LYS A 411 11.395 2.495 -11.767 1.00 0.00 C ATOM 457 CE LYS A 411 10.976 1.171 -12.384 1.00 0.00 C ATOM 458 NZ LYS A 411 12.142 0.333 -12.767 1.00 0.00 N ATOM 0 H LYS A 411 10.081 0.768 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 411 12.871 1.009 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.974 0.643 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.328 2.207 -9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.469 3.270 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.023 1.697 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.513 3.113 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 411 12.035 3.034 -12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.355 0.623 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.363 1.361 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 11.813 -0.495 -13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 12.792 0.891 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 12.638 0.015 -11.910 1.00 0.00 H new ATOM 472 N ALA A 412 13.329 3.429 -7.561 1.00 0.00 N ATOM 473 CA ALA A 412 13.673 4.703 -6.939 1.00 0.00 C ATOM 474 C ALA A 412 12.641 5.777 -7.273 1.00 0.00 C ATOM 475 O ALA A 412 12.452 6.134 -8.437 1.00 0.00 O ATOM 476 CB ALA A 412 15.057 5.145 -7.382 1.00 0.00 C ATOM 0 H ALA A 412 14.082 3.009 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 412 13.674 4.563 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.303 6.097 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.790 4.394 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.072 5.261 -8.466 1.00 0.00 H new ATOM 482 N GLY A 413 11.933 6.239 -6.253 1.00 0.00 N ATOM 483 CA GLY A 413 10.891 7.224 -6.458 1.00 0.00 C ATOM 484 C GLY A 413 9.539 6.749 -5.964 1.00 0.00 C ATOM 485 O GLY A 413 8.664 7.558 -5.659 1.00 0.00 O ATOM 0 H GLY A 413 12.062 5.948 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.160 8.146 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 413 10.824 7.461 -7.520 1.00 0.00 H new ATOM 489 N GLU A 414 9.340 5.437 -5.960 1.00 0.00 N ATOM 490 CA GLU A 414 8.062 4.859 -5.560 1.00 0.00 C ATOM 491 C GLU A 414 7.924 4.790 -4.039 1.00 0.00 C ATOM 492 O GLU A 414 8.526 5.573 -3.304 1.00 0.00 O ATOM 493 CB GLU A 414 7.914 3.455 -6.143 1.00 0.00 C ATOM 494 CG GLU A 414 7.873 3.414 -7.656 1.00 0.00 C ATOM 495 CD GLU A 414 7.559 2.031 -8.172 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.387 1.116 -7.981 1.00 0.00 O ATOM 497 OE2 GLU A 414 6.464 1.841 -8.743 1.00 0.00 O ATOM 0 H GLU A 414 10.047 4.753 -6.229 1.00 0.00 H new ATOM 0 HA GLU A 414 7.276 5.507 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.744 2.840 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.000 3.006 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 414 7.122 4.116 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.833 3.741 -8.054 1.00 0.00 H new ATOM 504 N LYS A 415 7.182 3.794 -3.581 1.00 0.00 N ATOM 505 CA LYS A 415 6.994 3.542 -2.165 1.00 0.00 C ATOM 506 C LYS A 415 6.605 2.085 -1.971 1.00 0.00 C ATOM 507 O LYS A 415 6.091 1.458 -2.898 1.00 0.00 O ATOM 508 CB LYS A 415 5.919 4.461 -1.581 1.00 0.00 C ATOM 509 CG LYS A 415 5.726 4.267 -0.087 1.00 0.00 C ATOM 510 CD LYS A 415 6.449 5.312 0.756 1.00 0.00 C ATOM 511 CE LYS A 415 7.782 5.762 0.162 1.00 0.00 C ATOM 512 NZ LYS A 415 8.893 4.839 0.514 1.00 0.00 N ATOM 0 H LYS A 415 6.692 3.135 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 415 7.926 3.749 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.190 5.499 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.974 4.277 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.661 4.300 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 415 6.082 3.275 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.802 6.181 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.624 4.905 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 415 7.692 5.823 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 415 8.017 6.764 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 9.704 5.017 -0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 9.177 4.999 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.576 3.855 0.400 1.00 0.00 H new ATOM 526 N ASN A 416 6.939 1.520 -0.815 1.00 0.00 N ATOM 527 CA ASN A 416 6.689 0.101 -0.578 1.00 0.00 C ATOM 528 C ASN A 416 5.197 -0.164 -0.413 1.00 0.00 C ATOM 529 O ASN A 416 4.581 -0.799 -1.251 1.00 0.00 O ATOM 530 CB ASN A 416 7.457 -0.405 0.644 1.00 0.00 C ATOM 531 CG ASN A 416 8.955 -0.476 0.411 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.612 0.541 0.194 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.507 -1.680 0.449 1.00 0.00 N ATOM 0 H ASN A 416 7.377 2.014 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 416 7.047 -0.446 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.257 0.252 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.089 -1.395 0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.510 -1.786 0.295 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.929 -2.500 0.632 1.00 0.00 H new ATOM 540 N CYS A 417 4.581 0.459 0.566 1.00 0.00 N ATOM 541 CA CYS A 417 3.135 0.399 0.668 1.00 0.00 C ATOM 542 C CYS A 417 2.555 1.477 -0.236 1.00 0.00 C ATOM 543 O CYS A 417 2.954 2.639 -0.140 1.00 0.00 O ATOM 544 CB CYS A 417 2.698 0.600 2.117 1.00 0.00 C ATOM 545 SG CYS A 417 1.008 0.038 2.479 1.00 0.00 S ATOM 0 H CYS A 417 5.045 1.004 1.292 1.00 0.00 H new ATOM 0 HA CYS A 417 2.770 -0.578 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.391 0.069 2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.776 1.659 2.363 1.00 0.00 H new ATOM 550 N GLN A 418 1.747 1.087 -1.213 1.00 0.00 N ATOM 551 CA GLN A 418 1.297 2.039 -2.214 1.00 0.00 C ATOM 552 C GLN A 418 -0.086 1.697 -2.747 1.00 0.00 C ATOM 553 O GLN A 418 -0.522 0.541 -2.721 1.00 0.00 O ATOM 554 CB GLN A 418 2.315 2.138 -3.365 1.00 0.00 C ATOM 555 CG GLN A 418 1.946 1.364 -4.631 1.00 0.00 C ATOM 556 CD GLN A 418 2.137 -0.139 -4.522 1.00 0.00 C ATOM 557 OE1 GLN A 418 2.787 -0.588 -3.467 1.00 0.00 O flip ATOM 558 NE2 GLN A 418 1.725 -0.890 -5.407 1.00 0.00 N flip ATOM 0 H GLN A 418 1.396 0.137 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 418 1.224 3.011 -1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 418 2.443 3.189 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 418 3.280 1.778 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.904 1.569 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.549 1.736 -5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.226 -0.507 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.883 -1.895 -5.337 1.00 0.00 H new ATOM 567 N PHE A 419 -0.784 2.740 -3.167 1.00 0.00 N ATOM 568 CA PHE A 419 -2.130 2.631 -3.693 1.00 0.00 C ATOM 569 C PHE A 419 -2.151 1.707 -4.904 1.00 0.00 C ATOM 570 O PHE A 419 -1.495 1.983 -5.909 1.00 0.00 O ATOM 571 CB PHE A 419 -2.608 4.026 -4.092 1.00 0.00 C ATOM 572 CG PHE A 419 -4.066 4.120 -4.414 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.019 3.724 -3.494 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.482 4.623 -5.634 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.363 3.828 -3.788 1.00 0.00 C ATOM 576 CE2 PHE A 419 -5.824 4.734 -5.931 1.00 0.00 C ATOM 577 CZ PHE A 419 -6.766 4.331 -5.009 1.00 0.00 C ATOM 0 H PHE A 419 -0.426 3.695 -3.151 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.790 2.212 -2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.384 4.718 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.036 4.357 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.709 3.330 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -3.747 4.932 -6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.100 3.516 -3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.136 5.136 -6.884 1.00 0.00 H new ATOM 0 HZ PHE A 419 -7.818 4.409 -5.241 1.00 0.00 H new ATOM 587 N ASN A 420 -2.892 0.610 -4.807 1.00 0.00 N ATOM 588 CA ASN A 420 -2.970 -0.344 -5.909 1.00 0.00 C ATOM 589 C ASN A 420 -3.799 0.218 -7.056 1.00 0.00 C ATOM 590 O ASN A 420 -3.552 -0.098 -8.219 1.00 0.00 O ATOM 591 CB ASN A 420 -3.521 -1.707 -5.456 1.00 0.00 C ATOM 592 CG ASN A 420 -4.809 -1.629 -4.651 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.758 -0.939 -5.020 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.859 -2.375 -3.560 1.00 0.00 N ATOM 0 H ASN A 420 -3.443 0.359 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.952 -0.508 -6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.694 -2.326 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.762 -2.211 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.706 -2.392 -2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.051 -2.934 -3.287 1.00 0.00 H new ATOM 601 N SER A 421 -4.780 1.052 -6.709 1.00 0.00 N ATOM 602 CA SER A 421 -5.672 1.683 -7.679 1.00 0.00 C ATOM 603 C SER A 421 -6.596 0.652 -8.328 1.00 0.00 C ATOM 604 O SER A 421 -6.147 -0.225 -9.072 1.00 0.00 O ATOM 605 CB SER A 421 -4.864 2.439 -8.745 1.00 0.00 C ATOM 606 OG SER A 421 -5.709 3.119 -9.660 1.00 0.00 O ATOM 0 H SER A 421 -4.978 1.309 -5.742 1.00 0.00 H new ATOM 0 HA SER A 421 -6.295 2.402 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.202 3.156 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.231 1.737 -9.287 1.00 0.00 H new ATOM 0 HG SER A 421 -5.162 3.590 -10.323 1.00 0.00 H new ATOM 612 N THR A 422 -7.893 0.796 -8.056 1.00 0.00 N ATOM 613 CA THR A 422 -8.938 -0.078 -8.595 1.00 0.00 C ATOM 614 C THR A 422 -8.593 -1.561 -8.436 1.00 0.00 C ATOM 615 O THR A 422 -8.770 -2.356 -9.362 1.00 0.00 O ATOM 616 CB THR A 422 -9.264 0.244 -10.077 1.00 0.00 C ATOM 617 OG1 THR A 422 -8.064 0.352 -10.860 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.057 1.538 -10.184 1.00 0.00 C ATOM 0 H THR A 422 -8.253 1.531 -7.448 1.00 0.00 H new ATOM 0 HA THR A 422 -9.830 0.124 -8.003 1.00 0.00 H new ATOM 0 HB THR A 422 -9.864 -0.578 -10.467 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.360 -0.199 -10.458 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.275 1.745 -11.232 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.991 1.439 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.473 2.358 -9.766 1.00 0.00 H new ATOM 626 N LYS A 423 -8.116 -1.927 -7.248 1.00 0.00 N ATOM 627 CA LYS A 423 -7.748 -3.300 -6.950 1.00 0.00 C ATOM 628 C LYS A 423 -7.871 -3.582 -5.458 1.00 0.00 C ATOM 629 O LYS A 423 -7.125 -4.390 -4.902 1.00 0.00 O ATOM 630 CB LYS A 423 -6.322 -3.573 -7.407 1.00 0.00 C ATOM 631 CG LYS A 423 -6.211 -3.976 -8.870 1.00 0.00 C ATOM 632 CD LYS A 423 -4.786 -4.347 -9.251 1.00 0.00 C ATOM 633 CE LYS A 423 -3.841 -3.159 -9.162 1.00 0.00 C ATOM 634 NZ LYS A 423 -4.224 -2.071 -10.100 1.00 0.00 N ATOM 0 H LYS A 423 -7.976 -1.280 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.431 -3.958 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.720 -2.680 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.898 -4.364 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.870 -4.822 -9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.553 -3.154 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.431 -5.142 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -4.774 -4.743 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -3.838 -2.774 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -2.825 -3.487 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -3.395 -1.789 -10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.975 -2.409 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -4.570 -1.253 -9.560 1.00 0.00 H new ATOM 648 N ALA A 424 -8.844 -2.941 -4.832 1.00 0.00 N ATOM 649 CA ALA A 424 -9.111 -3.128 -3.408 1.00 0.00 C ATOM 650 C ALA A 424 -9.414 -4.591 -3.094 1.00 0.00 C ATOM 651 O ALA A 424 -8.781 -5.198 -2.231 1.00 0.00 O ATOM 652 CB ALA A 424 -10.262 -2.235 -2.962 1.00 0.00 C ATOM 0 H ALA A 424 -9.470 -2.279 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.216 -2.845 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.449 -2.386 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -10.003 -1.191 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.159 -2.488 -3.527 1.00 0.00 H new