USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1226 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: B 81 ASN : amide:sc= 1.14 K(o=1.6,f=-1.9) USER MOD Set 1.2: B 83 SER OG : rot -67:sc= 0.452 USER MOD Set 1.3: B 84 THR OG1 : rot 171:sc= -0.0347 USER MOD Set 2.1: B 78 HIS :FLIP no HE2:sc= -1.55 F(o=-3.7!,f=-2.6) USER MOD Set 2.2: B 80 SER OG : rot -26:sc= -1.01 USER MOD Set 3.1: B 56 SER OG : rot 62:sc= 0.911 USER MOD Set 3.2: B 62 LYS NZ :NH3+ 143:sc= 1.06 (180deg=-1.11) USER MOD Set 3.3: B 64 GLN : amide:sc= -0.283 K(o=1.7,f=-7.5!) USER MOD Set 4.1: B 54 LYS NZ :NH3+ 164:sc= 0.129 (180deg=-0.566!) USER MOD Set 4.2: B 66 GLN : amide:sc= 0.746 K(o=2.7,f=-4.7!) USER MOD Set 4.3: B 76 ASN : amide:sc= 1.84 K(o=2.7,f=-8.3!) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -0.198 K(o=-0.14,f=-0.94) USER MOD Set 5.2: B 75 THR OG1 : rot 147:sc= 0.0588 USER MOD Set 6.1: B 18 LYS NZ :NH3+ 166:sc= -0.308 (180deg=-0.703) USER MOD Set 6.2: B 19 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0562) USER MOD Set 7.1: A 409 SER OG : rot -77:sc= 1.35 USER MOD Set 7.2: A 410 GLN : amide:sc= 0.0636 K(o=1.4,f=0.73) USER MOD Set 8.1: A 405 TYR OH : rot 180:sc= 0 USER MOD Set 8.2: A 426 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 397 MET CE :methyl -161:sc= -0.11 (180deg=-0.807) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 34:sc= 1.18 USER MOD Single : A 417 GLN :FLIP amide:sc= -0.245 F(o=-1.3,f=-0.24) USER MOD Single : A 418 MET CE :methyl -149:sc= -7.24! (180deg=-9.49!) USER MOD Single : A 419 THR OG1 : rot 160:sc= 0.447 USER MOD Single : A 423 LYS NZ :NH3+ -147:sc= -2.07! (180deg=-4.44!) USER MOD Single : A 429 MET CE :methyl 142:sc= -7.5! (180deg=-12!) USER MOD Single : A 431 GLN : amide:sc= 0.651 K(o=0.65,f=-4.8!) USER MOD Single : A 433 MET CE :methyl -118:sc= -0.221 (180deg=-4.14!) USER MOD Single : B 13 LYS NZ :NH3+ -139:sc= -1.21! (180deg=-4.72!) USER MOD Single : B 14 LYS NZ :NH3+ -171:sc= 2.3 (180deg=2.02) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.16 F(o=-1.5!,f=-0.16) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.065 F(o=-1.6!,f=-0.065) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 145:sc= -3.75 (180deg=-4.97!) USER MOD Single : B 38 LYS NZ :NH3+ -160:sc= 1.73 (180deg=0.673) USER MOD Single : B 42 THR OG1 : rot -160:sc=-0.00176 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl 165:sc=-0.00538 (180deg=-0.303) USER MOD Single : B 47 TYR OH : rot 145:sc= 0.829 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 101:sc= -1.06! USER MOD Single : B 53 GLN : amide:sc= -3.69! X(o=-3.7!,f=-3.2) USER MOD Single : B 60 LYS NZ :NH3+ 137:sc= 2.04 (180deg=-1.68!) USER MOD Single : B 70 HIS : no HD1:sc= -2.84 K(o=-2.8,f=-4.8!) USER MOD Single : B 74 THR OG1 : rot 35:sc= 0.57 USER MOD Single : B 87 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.2) USER MOD Single : B 93 LYS NZ :NH3+ 151:sc= -2.71! (180deg=-4.46!) USER MOD Single : B 97 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 102 LYS NZ :NH3+ 172:sc= -1.12 (180deg=-1.21!) USER MOD Single : B 104 LYS NZ :NH3+ -157:sc= 1.14 (180deg=-0.112!) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 382 10.066 13.073 13.236 1.00 0.00 N ATOM 59 CA GLU A 382 9.518 11.759 12.912 1.00 0.00 C ATOM 60 C GLU A 382 8.654 11.812 11.651 1.00 0.00 C ATOM 61 O GLU A 382 8.087 12.850 11.300 1.00 0.00 O ATOM 62 CB GLU A 382 8.730 11.172 14.090 1.00 0.00 C ATOM 63 CG GLU A 382 8.775 9.652 14.139 1.00 0.00 C ATOM 64 CD GLU A 382 9.982 9.094 13.409 1.00 0.00 C ATOM 65 OE1 GLU A 382 11.080 9.080 13.996 1.00 0.00 O ATOM 66 OE2 GLU A 382 9.836 8.709 12.230 1.00 0.00 O ATOM 0 HA GLU A 382 10.361 11.097 12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 382 9.130 11.572 15.022 1.00 0.00 H new ATOM 0 HB3 GLU A 382 7.692 11.497 14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 382 8.796 9.324 15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 382 7.865 9.248 13.696 1.00 0.00 H new ATOM 73 N GLU A 383 8.558 10.687 10.961 1.00 0.00 N ATOM 74 CA GLU A 383 7.776 10.614 9.741 1.00 0.00 C ATOM 75 C GLU A 383 6.390 10.047 10.019 1.00 0.00 C ATOM 76 O GLU A 383 5.773 9.414 9.161 1.00 0.00 O ATOM 77 CB GLU A 383 8.508 9.792 8.680 1.00 0.00 C ATOM 78 CG GLU A 383 9.915 10.297 8.387 1.00 0.00 C ATOM 79 CD GLU A 383 9.954 11.653 7.689 1.00 0.00 C ATOM 80 OE1 GLU A 383 9.015 12.462 7.867 1.00 0.00 O ATOM 81 OE2 GLU A 383 10.944 11.915 6.970 1.00 0.00 O ATOM 0 H GLU A 383 9.012 9.813 11.226 1.00 0.00 H new ATOM 0 HA GLU A 383 7.649 11.625 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 383 8.564 8.755 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 383 7.927 9.803 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 383 10.468 10.366 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 383 10.431 9.565 7.766 1.00 0.00 H new ATOM 88 N ASP A 384 5.910 10.270 11.232 1.00 0.00 N ATOM 89 CA ASP A 384 4.578 9.833 11.617 1.00 0.00 C ATOM 90 C ASP A 384 3.715 11.073 11.797 1.00 0.00 C ATOM 91 O ASP A 384 4.240 12.186 11.707 1.00 0.00 O ATOM 92 CB ASP A 384 4.601 8.984 12.888 1.00 0.00 C ATOM 93 CG ASP A 384 3.482 7.959 12.892 1.00 0.00 C ATOM 94 OD1 ASP A 384 2.344 8.324 13.251 1.00 0.00 O ATOM 95 OD2 ASP A 384 3.734 6.797 12.504 1.00 0.00 O ATOM 0 H ASP A 384 6.425 10.752 11.969 1.00 0.00 H new ATOM 0 HA ASP A 384 4.163 9.195 10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 384 5.562 8.476 12.970 1.00 0.00 H new ATOM 0 HB3 ASP A 384 4.507 9.631 13.761 1.00 0.00 H new ATOM 100 N ASP A 385 2.418 10.896 12.049 1.00 0.00 N ATOM 101 CA ASP A 385 1.502 12.035 12.190 1.00 0.00 C ATOM 102 C ASP A 385 0.065 11.565 12.353 1.00 0.00 C ATOM 103 O ASP A 385 -0.517 11.661 13.432 1.00 0.00 O ATOM 104 CB ASP A 385 1.599 12.939 10.945 1.00 0.00 C ATOM 105 CG ASP A 385 1.007 14.325 11.134 1.00 0.00 C ATOM 106 OD1 ASP A 385 0.282 14.548 12.120 1.00 0.00 O ATOM 107 OD2 ASP A 385 1.245 15.190 10.259 1.00 0.00 O ATOM 0 H ASP A 385 1.977 9.983 12.160 1.00 0.00 H new ATOM 0 HA ASP A 385 1.791 12.593 13.081 1.00 0.00 H new ATOM 0 HB2 ASP A 385 2.647 13.039 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 385 1.091 12.450 10.114 1.00 0.00 H new ATOM 112 N GLU A 386 -0.485 11.021 11.278 1.00 0.00 N ATOM 113 CA GLU A 386 -1.846 10.567 11.247 1.00 0.00 C ATOM 114 C GLU A 386 -1.969 9.740 10.002 1.00 0.00 C ATOM 115 O GLU A 386 -1.683 10.226 8.907 1.00 0.00 O ATOM 116 CB GLU A 386 -2.767 11.766 11.172 1.00 0.00 C ATOM 117 CG GLU A 386 -4.064 11.625 11.923 1.00 0.00 C ATOM 118 CD GLU A 386 -5.079 12.659 11.485 1.00 0.00 C ATOM 119 OE1 GLU A 386 -5.081 13.011 10.282 1.00 0.00 O ATOM 120 OE2 GLU A 386 -5.843 13.147 12.335 1.00 0.00 O ATOM 0 H GLU A 386 0.015 10.886 10.399 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.113 9.992 12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.236 12.637 11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.992 11.966 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -4.470 10.626 11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -3.879 11.727 12.992 1.00 0.00 H new ATOM 127 N PHE A 387 -2.345 8.498 10.143 1.00 0.00 N ATOM 128 CA PHE A 387 -2.417 7.649 8.986 1.00 0.00 C ATOM 129 C PHE A 387 -3.678 6.812 8.967 1.00 0.00 C ATOM 130 O PHE A 387 -4.175 6.377 10.004 1.00 0.00 O ATOM 131 CB PHE A 387 -1.191 6.725 8.926 1.00 0.00 C ATOM 132 CG PHE A 387 0.140 7.430 8.876 1.00 0.00 C ATOM 133 CD1 PHE A 387 0.713 7.934 10.031 1.00 0.00 C ATOM 134 CD2 PHE A 387 0.818 7.594 7.676 1.00 0.00 C ATOM 135 CE1 PHE A 387 1.921 8.585 9.992 1.00 0.00 C ATOM 136 CE2 PHE A 387 2.029 8.249 7.638 1.00 0.00 C ATOM 137 CZ PHE A 387 2.578 8.745 8.798 1.00 0.00 C ATOM 0 H PHE A 387 -2.601 8.059 11.027 1.00 0.00 H new ATOM 0 HA PHE A 387 -2.434 8.302 8.113 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -1.206 6.071 9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -1.280 6.086 8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 387 0.203 7.813 10.975 1.00 0.00 H new ATOM 0 HD2 PHE A 387 0.392 7.204 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 387 2.355 8.972 10.902 1.00 0.00 H new ATOM 0 HE2 PHE A 387 2.547 8.373 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 387 3.527 9.261 8.769 1.00 0.00 H new ATOM 147 N GLU A 388 -4.156 6.581 7.761 1.00 0.00 N ATOM 148 CA GLU A 388 -5.332 5.774 7.528 1.00 0.00 C ATOM 149 C GLU A 388 -4.856 4.368 7.305 1.00 0.00 C ATOM 150 O GLU A 388 -4.008 4.154 6.438 1.00 0.00 O ATOM 151 CB GLU A 388 -6.085 6.240 6.273 1.00 0.00 C ATOM 152 CG GLU A 388 -6.743 7.598 6.397 1.00 0.00 C ATOM 153 CD GLU A 388 -8.025 7.558 7.208 1.00 0.00 C ATOM 154 OE1 GLU A 388 -8.055 6.857 8.242 1.00 0.00 O ATOM 155 OE2 GLU A 388 -9.001 8.221 6.801 1.00 0.00 O ATOM 0 H GLU A 388 -3.734 6.952 6.910 1.00 0.00 H new ATOM 0 HA GLU A 388 -6.009 5.853 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.388 6.265 5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.849 5.502 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -6.045 8.294 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.960 7.984 5.401 1.00 0.00 H new ATOM 162 N GLU A 389 -5.333 3.421 8.089 1.00 0.00 N ATOM 163 CA GLU A 389 -4.905 2.053 7.897 1.00 0.00 C ATOM 164 C GLU A 389 -5.367 1.608 6.518 1.00 0.00 C ATOM 165 O GLU A 389 -6.554 1.358 6.300 1.00 0.00 O ATOM 166 CB GLU A 389 -5.485 1.141 8.982 1.00 0.00 C ATOM 167 CG GLU A 389 -4.749 -0.184 9.132 1.00 0.00 C ATOM 168 CD GLU A 389 -3.521 -0.074 10.013 1.00 0.00 C ATOM 169 OE1 GLU A 389 -3.667 0.242 11.209 1.00 0.00 O ATOM 170 OE2 GLU A 389 -2.394 -0.291 9.512 1.00 0.00 O ATOM 0 H GLU A 389 -6.000 3.569 8.846 1.00 0.00 H new ATOM 0 HA GLU A 389 -3.819 1.989 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -5.463 1.668 9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -6.532 0.940 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -5.427 -0.926 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -4.453 -0.544 8.147 1.00 0.00 H new ATOM 177 N VAL A 390 -4.433 1.522 5.584 1.00 0.00 N ATOM 178 CA VAL A 390 -4.772 1.128 4.243 1.00 0.00 C ATOM 179 C VAL A 390 -4.939 -0.369 4.187 1.00 0.00 C ATOM 180 O VAL A 390 -4.023 -1.121 4.534 1.00 0.00 O ATOM 181 CB VAL A 390 -3.729 1.518 3.175 1.00 0.00 C ATOM 182 CG1 VAL A 390 -4.348 1.466 1.792 1.00 0.00 C ATOM 183 CG2 VAL A 390 -3.145 2.883 3.425 1.00 0.00 C ATOM 0 H VAL A 390 -3.444 1.720 5.736 1.00 0.00 H new ATOM 0 HA VAL A 390 -5.692 1.664 4.010 1.00 0.00 H new ATOM 0 HB VAL A 390 -2.916 0.795 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -3.601 1.743 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -4.703 0.455 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.186 2.162 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -2.416 3.115 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -3.941 3.628 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -2.655 2.896 4.398 1.00 0.00 H new ATOM 193 N ALA A 391 -6.090 -0.800 3.748 1.00 0.00 N ATOM 194 CA ALA A 391 -6.364 -2.205 3.638 1.00 0.00 C ATOM 195 C ALA A 391 -5.907 -2.695 2.283 1.00 0.00 C ATOM 196 O ALA A 391 -5.875 -1.930 1.325 1.00 0.00 O ATOM 197 CB ALA A 391 -7.845 -2.483 3.838 1.00 0.00 C ATOM 0 H ALA A 391 -6.857 -0.193 3.459 1.00 0.00 H new ATOM 0 HA ALA A 391 -5.819 -2.739 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -8.029 -3.554 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -8.149 -2.142 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.420 -1.953 3.079 1.00 0.00 H new ATOM 203 N ASP A 392 -5.483 -3.936 2.239 1.00 0.00 N ATOM 204 CA ASP A 392 -5.055 -4.586 1.010 1.00 0.00 C ATOM 205 C ASP A 392 -6.261 -4.815 0.102 1.00 0.00 C ATOM 206 O ASP A 392 -6.680 -5.944 -0.148 1.00 0.00 O ATOM 207 CB ASP A 392 -4.346 -5.912 1.328 1.00 0.00 C ATOM 208 CG ASP A 392 -5.110 -6.805 2.293 1.00 0.00 C ATOM 209 OD1 ASP A 392 -5.384 -6.371 3.432 1.00 0.00 O ATOM 210 OD2 ASP A 392 -5.409 -7.963 1.933 1.00 0.00 O ATOM 0 H ASP A 392 -5.423 -4.535 3.062 1.00 0.00 H new ATOM 0 HA ASP A 392 -4.346 -3.942 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -4.181 -6.456 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -3.364 -5.696 1.749 1.00 0.00 H new ATOM 215 N ASP A 393 -6.804 -3.713 -0.379 1.00 0.00 N ATOM 216 CA ASP A 393 -7.978 -3.716 -1.231 1.00 0.00 C ATOM 217 C ASP A 393 -7.623 -4.081 -2.662 1.00 0.00 C ATOM 218 O ASP A 393 -6.858 -3.379 -3.323 1.00 0.00 O ATOM 219 CB ASP A 393 -8.621 -2.337 -1.198 1.00 0.00 C ATOM 220 CG ASP A 393 -10.102 -2.370 -1.518 1.00 0.00 C ATOM 221 OD1 ASP A 393 -10.889 -2.821 -0.662 1.00 0.00 O ATOM 222 OD2 ASP A 393 -10.493 -1.928 -2.620 1.00 0.00 O ATOM 0 H ASP A 393 -6.438 -2.780 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 393 -8.675 -4.466 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 393 -8.477 -1.898 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 393 -8.114 -1.688 -1.912 1.00 0.00 H new ATOM 227 N PRO A 394 -8.184 -5.183 -3.164 1.00 0.00 N ATOM 228 CA PRO A 394 -7.937 -5.647 -4.513 1.00 0.00 C ATOM 229 C PRO A 394 -8.797 -4.922 -5.539 1.00 0.00 C ATOM 230 O PRO A 394 -9.579 -4.027 -5.208 1.00 0.00 O ATOM 231 CB PRO A 394 -8.309 -7.139 -4.464 1.00 0.00 C ATOM 232 CG PRO A 394 -8.803 -7.404 -3.078 1.00 0.00 C ATOM 233 CD PRO A 394 -9.099 -6.070 -2.456 1.00 0.00 C ATOM 0 HA PRO A 394 -6.907 -5.464 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 394 -9.077 -7.372 -5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 394 -7.445 -7.763 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 394 -9.697 -8.027 -3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -8.054 -7.943 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -10.139 -5.778 -2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -8.913 -6.072 -1.382 1.00 0.00 H new ATOM 241 N ILE A 395 -8.664 -5.337 -6.782 1.00 0.00 N ATOM 242 CA ILE A 395 -9.409 -4.740 -7.875 1.00 0.00 C ATOM 243 C ILE A 395 -10.421 -5.743 -8.409 1.00 0.00 C ATOM 244 O ILE A 395 -10.057 -6.836 -8.846 1.00 0.00 O ATOM 245 CB ILE A 395 -8.464 -4.266 -9.004 1.00 0.00 C ATOM 246 CG1 ILE A 395 -7.761 -2.977 -8.581 1.00 0.00 C ATOM 247 CG2 ILE A 395 -9.216 -4.051 -10.310 1.00 0.00 C ATOM 248 CD1 ILE A 395 -8.718 -1.837 -8.305 1.00 0.00 C ATOM 0 H ILE A 395 -8.040 -6.093 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 395 -9.936 -3.863 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 395 -7.722 -5.046 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 395 -7.169 -3.171 -7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 395 -7.065 -2.677 -9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 395 -8.520 -3.718 -11.080 1.00 0.00 H new ATOM 0 HG22 ILE A 395 -9.681 -4.987 -10.621 1.00 0.00 H new ATOM 0 HG23 ILE A 395 -9.987 -3.294 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 395 -8.154 -0.952 -8.010 1.00 0.00 H new ATOM 0 HD12 ILE A 395 -9.292 -1.618 -9.205 1.00 0.00 H new ATOM 0 HD13 ILE A 395 -9.398 -2.119 -7.501 1.00 0.00 H new ATOM 260 N VAL A 396 -11.681 -5.362 -8.358 1.00 0.00 N ATOM 261 CA VAL A 396 -12.766 -6.215 -8.799 1.00 0.00 C ATOM 262 C VAL A 396 -13.479 -5.601 -10.006 1.00 0.00 C ATOM 263 O VAL A 396 -13.797 -4.413 -10.017 1.00 0.00 O ATOM 264 CB VAL A 396 -13.755 -6.476 -7.628 1.00 0.00 C ATOM 265 CG1 VAL A 396 -13.824 -5.278 -6.694 1.00 0.00 C ATOM 266 CG2 VAL A 396 -15.141 -6.859 -8.122 1.00 0.00 C ATOM 0 H VAL A 396 -11.982 -4.452 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 396 -12.354 -7.174 -9.113 1.00 0.00 H new ATOM 0 HB VAL A 396 -13.367 -7.327 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 396 -14.523 -5.488 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 396 -12.835 -5.083 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 396 -14.163 -4.403 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 396 -15.797 -7.031 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 396 -15.545 -6.052 -8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 396 -15.076 -7.769 -8.719 1.00 0.00 H new ATOM 276 N MET A 397 -13.719 -6.417 -11.024 1.00 0.00 N ATOM 277 CA MET A 397 -14.369 -5.958 -12.230 1.00 0.00 C ATOM 278 C MET A 397 -15.869 -6.053 -12.078 1.00 0.00 C ATOM 279 O MET A 397 -16.392 -7.076 -11.645 1.00 0.00 O ATOM 280 CB MET A 397 -13.916 -6.794 -13.429 1.00 0.00 C ATOM 281 CG MET A 397 -12.595 -6.344 -14.027 1.00 0.00 C ATOM 282 SD MET A 397 -12.789 -4.965 -15.169 1.00 0.00 S ATOM 283 CE MET A 397 -11.084 -4.629 -15.590 1.00 0.00 C ATOM 0 H MET A 397 -13.469 -7.406 -11.031 1.00 0.00 H new ATOM 0 HA MET A 397 -14.092 -4.918 -12.400 1.00 0.00 H new ATOM 0 HB2 MET A 397 -13.828 -7.836 -13.121 1.00 0.00 H new ATOM 0 HB3 MET A 397 -14.686 -6.753 -14.200 1.00 0.00 H new ATOM 0 HG2 MET A 397 -11.917 -6.054 -13.225 1.00 0.00 H new ATOM 0 HG3 MET A 397 -12.132 -7.181 -14.549 1.00 0.00 H new ATOM 0 HE1 MET A 397 -11.003 -3.624 -16.003 1.00 0.00 H new ATOM 0 HE2 MET A 397 -10.467 -4.705 -14.695 1.00 0.00 H new ATOM 0 HE3 MET A 397 -10.742 -5.354 -16.329 1.00 0.00 H new ATOM 293 N VAL A 398 -16.547 -4.967 -12.386 1.00 0.00 N ATOM 294 CA VAL A 398 -17.989 -4.925 -12.319 1.00 0.00 C ATOM 295 C VAL A 398 -18.528 -4.386 -13.628 1.00 0.00 C ATOM 296 O VAL A 398 -18.264 -3.235 -13.981 1.00 0.00 O ATOM 297 CB VAL A 398 -18.494 -4.052 -11.163 1.00 0.00 C ATOM 298 CG1 VAL A 398 -20.008 -4.019 -11.172 1.00 0.00 C ATOM 299 CG2 VAL A 398 -17.976 -4.569 -9.832 1.00 0.00 C ATOM 0 H VAL A 398 -16.115 -4.094 -12.688 1.00 0.00 H new ATOM 0 HA VAL A 398 -18.344 -5.940 -12.141 1.00 0.00 H new ATOM 0 HB VAL A 398 -18.117 -3.038 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 398 -20.363 -3.398 -10.350 1.00 0.00 H new ATOM 0 HG12 VAL A 398 -20.357 -3.604 -12.117 1.00 0.00 H new ATOM 0 HG13 VAL A 398 -20.395 -5.031 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 398 -18.346 -3.935 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 398 -18.323 -5.591 -9.679 1.00 0.00 H new ATOM 0 HG23 VAL A 398 -16.886 -4.553 -9.835 1.00 0.00 H new ATOM 309 N ALA A 399 -19.248 -5.231 -14.353 1.00 0.00 N ATOM 310 CA ALA A 399 -19.807 -4.877 -15.646 1.00 0.00 C ATOM 311 C ALA A 399 -18.676 -4.575 -16.625 1.00 0.00 C ATOM 312 O ALA A 399 -18.859 -3.852 -17.611 1.00 0.00 O ATOM 313 CB ALA A 399 -20.762 -3.693 -15.524 1.00 0.00 C ATOM 0 H ALA A 399 -19.460 -6.184 -14.058 1.00 0.00 H new ATOM 0 HA ALA A 399 -20.385 -5.720 -16.025 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.166 -3.449 -16.506 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -21.578 -3.952 -14.850 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.224 -2.831 -15.128 1.00 0.00 H new ATOM 319 N GLY A 400 -17.497 -5.135 -16.345 1.00 0.00 N ATOM 320 CA GLY A 400 -16.350 -4.906 -17.199 1.00 0.00 C ATOM 321 C GLY A 400 -15.656 -3.603 -16.864 1.00 0.00 C ATOM 322 O GLY A 400 -14.912 -3.049 -17.674 1.00 0.00 O ATOM 0 H GLY A 400 -17.321 -5.741 -15.543 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -15.646 -5.731 -17.093 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -16.669 -4.891 -18.241 1.00 0.00 H new ATOM 326 N ARG A 401 -15.941 -3.088 -15.679 1.00 0.00 N ATOM 327 CA ARG A 401 -15.337 -1.853 -15.208 1.00 0.00 C ATOM 328 C ARG A 401 -14.436 -2.157 -14.021 1.00 0.00 C ATOM 329 O ARG A 401 -14.859 -2.819 -13.073 1.00 0.00 O ATOM 330 CB ARG A 401 -16.410 -0.847 -14.797 1.00 0.00 C ATOM 331 CG ARG A 401 -17.513 -0.659 -15.822 1.00 0.00 C ATOM 332 CD ARG A 401 -17.048 0.193 -16.985 1.00 0.00 C ATOM 333 NE ARG A 401 -17.980 0.135 -18.112 1.00 0.00 N ATOM 334 CZ ARG A 401 -17.870 -0.716 -19.137 1.00 0.00 C ATOM 335 NH1 ARG A 401 -16.857 -1.576 -19.195 1.00 0.00 N ATOM 336 NH2 ARG A 401 -18.779 -0.705 -20.106 1.00 0.00 N ATOM 0 H ARG A 401 -16.594 -3.512 -15.020 1.00 0.00 H new ATOM 0 HA ARG A 401 -14.751 -1.417 -16.017 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -16.855 -1.172 -13.857 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -15.936 0.116 -14.609 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -17.840 -1.632 -16.190 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -18.376 -0.191 -15.348 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -16.939 1.227 -16.657 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -16.064 -0.143 -17.310 1.00 0.00 H new ATOM 0 HE ARG A 401 -18.765 0.787 -18.116 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -16.156 -1.590 -18.454 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -16.781 -2.222 -19.981 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -19.558 -0.048 -20.067 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -18.697 -1.353 -20.889 1.00 0.00 H new ATOM 350 N PRO A 402 -13.183 -1.694 -14.057 1.00 0.00 N ATOM 351 CA PRO A 402 -12.234 -1.939 -12.977 1.00 0.00 C ATOM 352 C PRO A 402 -12.502 -1.087 -11.742 1.00 0.00 C ATOM 353 O PRO A 402 -12.141 0.089 -11.689 1.00 0.00 O ATOM 354 CB PRO A 402 -10.884 -1.581 -13.600 1.00 0.00 C ATOM 355 CG PRO A 402 -11.202 -0.587 -14.666 1.00 0.00 C ATOM 356 CD PRO A 402 -12.592 -0.905 -15.154 1.00 0.00 C ATOM 0 HA PRO A 402 -12.294 -2.966 -12.616 1.00 0.00 H new ATOM 0 HB2 PRO A 402 -10.206 -1.160 -12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 402 -10.395 -2.462 -14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 402 -11.152 0.429 -14.275 1.00 0.00 H new ATOM 0 HG3 PRO A 402 -10.482 -0.650 -15.482 1.00 0.00 H new ATOM 0 HD2 PRO A 402 -13.165 0.002 -15.347 1.00 0.00 H new ATOM 0 HD3 PRO A 402 -12.568 -1.471 -16.085 1.00 0.00 H new ATOM 364 N PHE A 403 -13.158 -1.685 -10.763 1.00 0.00 N ATOM 365 CA PHE A 403 -13.462 -1.003 -9.520 1.00 0.00 C ATOM 366 C PHE A 403 -12.687 -1.651 -8.391 1.00 0.00 C ATOM 367 O PHE A 403 -12.185 -2.761 -8.532 1.00 0.00 O ATOM 368 CB PHE A 403 -14.965 -1.068 -9.230 1.00 0.00 C ATOM 369 CG PHE A 403 -15.794 -0.339 -10.249 1.00 0.00 C ATOM 370 CD1 PHE A 403 -15.515 0.977 -10.579 1.00 0.00 C ATOM 371 CD2 PHE A 403 -16.845 -0.977 -10.885 1.00 0.00 C ATOM 372 CE1 PHE A 403 -16.268 1.643 -11.528 1.00 0.00 C ATOM 373 CE2 PHE A 403 -17.605 -0.316 -11.829 1.00 0.00 C ATOM 374 CZ PHE A 403 -17.315 0.996 -12.153 1.00 0.00 C ATOM 0 H PHE A 403 -13.492 -2.648 -10.807 1.00 0.00 H new ATOM 0 HA PHE A 403 -13.173 0.044 -9.606 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -15.277 -2.112 -9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -15.157 -0.645 -8.244 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -14.700 1.489 -10.089 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -17.073 -2.004 -10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -16.038 2.668 -11.780 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -18.426 -0.824 -12.314 1.00 0.00 H new ATOM 0 HZ PHE A 403 -17.906 1.514 -12.894 1.00 0.00 H new ATOM 384 N SER A 404 -12.560 -0.962 -7.284 1.00 0.00 N ATOM 385 CA SER A 404 -11.858 -1.518 -6.150 1.00 0.00 C ATOM 386 C SER A 404 -12.867 -2.200 -5.241 1.00 0.00 C ATOM 387 O SER A 404 -14.066 -1.961 -5.357 1.00 0.00 O ATOM 388 CB SER A 404 -11.109 -0.421 -5.404 1.00 0.00 C ATOM 389 OG SER A 404 -10.720 0.616 -6.291 1.00 0.00 O ATOM 0 H SER A 404 -12.930 -0.022 -7.142 1.00 0.00 H new ATOM 0 HA SER A 404 -11.124 -2.250 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 404 -11.742 -0.013 -4.616 1.00 0.00 H new ATOM 0 HB3 SER A 404 -10.228 -0.841 -4.919 1.00 0.00 H new ATOM 0 HG SER A 404 -10.242 1.311 -5.792 1.00 0.00 H new ATOM 395 N TYR A 405 -12.398 -3.044 -4.350 1.00 0.00 N ATOM 396 CA TYR A 405 -13.287 -3.741 -3.440 1.00 0.00 C ATOM 397 C TYR A 405 -13.957 -2.729 -2.527 1.00 0.00 C ATOM 398 O TYR A 405 -15.157 -2.803 -2.300 1.00 0.00 O ATOM 399 CB TYR A 405 -12.535 -4.795 -2.630 1.00 0.00 C ATOM 400 CG TYR A 405 -13.423 -5.620 -1.718 1.00 0.00 C ATOM 401 CD1 TYR A 405 -13.907 -5.104 -0.520 1.00 0.00 C ATOM 402 CD2 TYR A 405 -13.780 -6.916 -2.060 1.00 0.00 C ATOM 403 CE1 TYR A 405 -14.719 -5.855 0.306 1.00 0.00 C ATOM 404 CE2 TYR A 405 -14.593 -7.671 -1.237 1.00 0.00 C ATOM 405 CZ TYR A 405 -15.059 -7.138 -0.056 1.00 0.00 C ATOM 406 OH TYR A 405 -15.870 -7.891 0.760 1.00 0.00 O ATOM 0 H TYR A 405 -11.409 -3.266 -4.234 1.00 0.00 H new ATOM 0 HA TYR A 405 -14.048 -4.265 -4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 405 -12.015 -5.464 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 405 -11.773 -4.300 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 405 -13.643 -4.098 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 405 -13.417 -7.341 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 405 -15.086 -5.437 1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -14.863 -8.678 -1.519 1.00 0.00 H new ATOM 0 HH TYR A 405 -16.013 -8.772 0.356 1.00 0.00 H new ATOM 416 N SER A 406 -13.181 -1.774 -2.026 1.00 0.00 N ATOM 417 CA SER A 406 -13.713 -0.721 -1.163 1.00 0.00 C ATOM 418 C SER A 406 -14.759 0.099 -1.918 1.00 0.00 C ATOM 419 O SER A 406 -15.590 0.777 -1.321 1.00 0.00 O ATOM 420 CB SER A 406 -12.586 0.178 -0.653 1.00 0.00 C ATOM 421 OG SER A 406 -11.798 -0.500 0.312 1.00 0.00 O ATOM 0 H SER A 406 -12.179 -1.706 -2.202 1.00 0.00 H new ATOM 0 HA SER A 406 -14.192 -1.185 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 406 -11.958 0.490 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 406 -13.007 1.083 -0.215 1.00 0.00 H new ATOM 0 HG SER A 406 -11.757 -1.454 0.090 1.00 0.00 H new ATOM 427 N GLU A 407 -14.720 -0.002 -3.236 1.00 0.00 N ATOM 428 CA GLU A 407 -15.664 0.676 -4.100 1.00 0.00 C ATOM 429 C GLU A 407 -16.910 -0.170 -4.242 1.00 0.00 C ATOM 430 O GLU A 407 -18.006 0.237 -3.879 1.00 0.00 O ATOM 431 CB GLU A 407 -15.043 0.919 -5.475 1.00 0.00 C ATOM 432 CG GLU A 407 -14.367 2.267 -5.626 1.00 0.00 C ATOM 433 CD GLU A 407 -15.373 3.364 -5.928 1.00 0.00 C ATOM 434 OE1 GLU A 407 -16.169 3.203 -6.886 1.00 0.00 O ATOM 435 OE2 GLU A 407 -15.380 4.378 -5.207 1.00 0.00 O ATOM 0 H GLU A 407 -14.028 -0.560 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 407 -15.924 1.639 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -14.312 0.135 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -15.821 0.829 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -13.827 2.509 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -13.630 2.218 -6.427 1.00 0.00 H new ATOM 442 N VAL A 408 -16.706 -1.375 -4.731 1.00 0.00 N ATOM 443 CA VAL A 408 -17.781 -2.320 -4.956 1.00 0.00 C ATOM 444 C VAL A 408 -18.525 -2.665 -3.663 1.00 0.00 C ATOM 445 O VAL A 408 -19.728 -2.904 -3.676 1.00 0.00 O ATOM 446 CB VAL A 408 -17.225 -3.613 -5.582 1.00 0.00 C ATOM 447 CG1 VAL A 408 -18.340 -4.568 -5.932 1.00 0.00 C ATOM 448 CG2 VAL A 408 -16.397 -3.304 -6.814 1.00 0.00 C ATOM 0 H VAL A 408 -15.784 -1.729 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 408 -18.489 -1.847 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 408 -16.582 -4.089 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 408 -17.920 -5.472 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 408 -18.894 -4.827 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 408 -19.013 -4.095 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 408 -16.015 -4.233 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 408 -17.018 -2.796 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 408 -15.561 -2.660 -6.539 1.00 0.00 H new ATOM 458 N SER A 409 -17.816 -2.654 -2.548 1.00 0.00 N ATOM 459 CA SER A 409 -18.418 -3.011 -1.263 1.00 0.00 C ATOM 460 C SER A 409 -19.267 -1.884 -0.698 1.00 0.00 C ATOM 461 O SER A 409 -20.304 -2.126 -0.086 1.00 0.00 O ATOM 462 CB SER A 409 -17.340 -3.395 -0.247 1.00 0.00 C ATOM 463 OG SER A 409 -16.428 -2.331 -0.034 1.00 0.00 O ATOM 0 H SER A 409 -16.828 -2.404 -2.500 1.00 0.00 H new ATOM 0 HA SER A 409 -19.067 -3.867 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 409 -17.809 -3.669 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 409 -16.800 -4.273 -0.601 1.00 0.00 H new ATOM 0 HG SER A 409 -15.799 -2.284 -0.784 1.00 0.00 H new ATOM 469 N GLN A 410 -18.826 -0.655 -0.907 1.00 0.00 N ATOM 470 CA GLN A 410 -19.541 0.497 -0.386 1.00 0.00 C ATOM 471 C GLN A 410 -20.578 0.998 -1.381 1.00 0.00 C ATOM 472 O GLN A 410 -21.356 1.901 -1.077 1.00 0.00 O ATOM 473 CB GLN A 410 -18.564 1.624 -0.047 1.00 0.00 C ATOM 474 CG GLN A 410 -17.554 1.276 1.041 1.00 0.00 C ATOM 475 CD GLN A 410 -18.156 0.492 2.191 1.00 0.00 C ATOM 476 OE1 GLN A 410 -18.748 1.062 3.106 1.00 0.00 O ATOM 477 NE2 GLN A 410 -17.985 -0.821 2.166 1.00 0.00 N ATOM 0 H GLN A 410 -17.980 -0.430 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 410 -20.057 0.184 0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -18.024 1.904 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -19.133 2.499 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -16.742 0.697 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -17.116 2.196 1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -17.488 -1.256 1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -18.350 -1.397 2.924 1.00 0.00 H new ATOM 486 N ARG A 411 -20.590 0.411 -2.566 1.00 0.00 N ATOM 487 CA ARG A 411 -21.524 0.825 -3.596 1.00 0.00 C ATOM 488 C ARG A 411 -22.475 -0.295 -3.987 1.00 0.00 C ATOM 489 O ARG A 411 -22.118 -1.226 -4.731 1.00 0.00 O ATOM 490 CB ARG A 411 -20.774 1.327 -4.817 1.00 0.00 C ATOM 491 CG ARG A 411 -19.910 2.538 -4.527 1.00 0.00 C ATOM 492 CD ARG A 411 -19.178 2.982 -5.769 1.00 0.00 C ATOM 493 NE ARG A 411 -20.103 3.477 -6.781 1.00 0.00 N ATOM 494 CZ ARG A 411 -19.729 3.945 -7.958 1.00 0.00 C ATOM 495 NH1 ARG A 411 -18.436 3.999 -8.282 1.00 0.00 N ATOM 496 NH2 ARG A 411 -20.656 4.358 -8.814 1.00 0.00 N ATOM 0 H ARG A 411 -19.967 -0.350 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 411 -22.125 1.636 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 411 -20.147 0.525 -5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 411 -21.491 1.578 -5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 411 -20.531 3.353 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 411 -19.192 2.299 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 411 -18.464 3.764 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 411 -18.605 2.148 -6.174 1.00 0.00 H new ATOM 0 HE ARG A 411 -21.100 3.461 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 411 -17.730 3.678 -7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 411 -18.153 4.361 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 411 -21.643 4.312 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 411 -20.382 4.722 -9.727 1.00 0.00 H new ATOM 510 N PRO A 412 -23.716 -0.208 -3.496 1.00 0.00 N ATOM 511 CA PRO A 412 -24.751 -1.189 -3.786 1.00 0.00 C ATOM 512 C PRO A 412 -25.057 -1.262 -5.277 1.00 0.00 C ATOM 513 O PRO A 412 -25.507 -2.290 -5.761 1.00 0.00 O ATOM 514 CB PRO A 412 -25.973 -0.681 -3.012 1.00 0.00 C ATOM 515 CG PRO A 412 -25.693 0.759 -2.745 1.00 0.00 C ATOM 516 CD PRO A 412 -24.204 0.863 -2.610 1.00 0.00 C ATOM 0 HA PRO A 412 -24.450 -2.196 -3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -26.887 -0.804 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -26.109 -1.235 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -26.057 1.386 -3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -26.193 1.093 -1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -23.838 1.842 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -23.881 0.713 -1.580 1.00 0.00 H new ATOM 524 N GLU A 413 -24.782 -0.176 -6.003 1.00 0.00 N ATOM 525 CA GLU A 413 -25.044 -0.127 -7.437 1.00 0.00 C ATOM 526 C GLU A 413 -24.069 -1.029 -8.160 1.00 0.00 C ATOM 527 O GLU A 413 -24.413 -1.674 -9.144 1.00 0.00 O ATOM 528 CB GLU A 413 -24.871 1.284 -7.997 1.00 0.00 C ATOM 529 CG GLU A 413 -25.150 2.390 -7.006 1.00 0.00 C ATOM 530 CD GLU A 413 -23.869 2.894 -6.371 1.00 0.00 C ATOM 531 OE1 GLU A 413 -23.052 3.533 -7.079 1.00 0.00 O ATOM 532 OE2 GLU A 413 -23.658 2.615 -5.179 1.00 0.00 O ATOM 0 H GLU A 413 -24.379 0.678 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 413 -26.074 -0.449 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -23.851 1.392 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -25.534 1.405 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -25.658 3.213 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -25.824 2.026 -6.231 1.00 0.00 H new ATOM 539 N LEU A 414 -22.844 -1.067 -7.661 1.00 0.00 N ATOM 540 CA LEU A 414 -21.812 -1.881 -8.266 1.00 0.00 C ATOM 541 C LEU A 414 -22.155 -3.348 -8.128 1.00 0.00 C ATOM 542 O LEU A 414 -22.139 -4.080 -9.103 1.00 0.00 O ATOM 543 CB LEU A 414 -20.447 -1.577 -7.651 1.00 0.00 C ATOM 544 CG LEU A 414 -19.904 -0.181 -7.961 1.00 0.00 C ATOM 545 CD1 LEU A 414 -18.412 -0.118 -7.693 1.00 0.00 C ATOM 546 CD2 LEU A 414 -20.205 0.206 -9.403 1.00 0.00 C ATOM 0 H LEU A 414 -22.544 -0.543 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 414 -21.758 -1.639 -9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -20.517 -1.693 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -19.731 -2.318 -8.006 1.00 0.00 H new ATOM 0 HG LEU A 414 -20.402 0.533 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -18.044 0.883 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -18.221 -0.347 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -17.898 -0.845 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -19.810 1.202 -9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -19.737 -0.511 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -21.283 0.204 -9.563 1.00 0.00 H new ATOM 558 N VAL A 415 -22.517 -3.773 -6.928 1.00 0.00 N ATOM 559 CA VAL A 415 -22.875 -5.176 -6.718 1.00 0.00 C ATOM 560 C VAL A 415 -24.239 -5.465 -7.358 1.00 0.00 C ATOM 561 O VAL A 415 -24.612 -6.615 -7.584 1.00 0.00 O ATOM 562 CB VAL A 415 -22.870 -5.538 -5.209 1.00 0.00 C ATOM 563 CG1 VAL A 415 -23.185 -7.008 -4.979 1.00 0.00 C ATOM 564 CG2 VAL A 415 -21.521 -5.196 -4.599 1.00 0.00 C ATOM 0 H VAL A 415 -22.572 -3.184 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 415 -22.125 -5.804 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 415 -23.651 -4.952 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 415 -23.172 -7.220 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 415 -24.172 -7.236 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 415 -22.438 -7.623 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 415 -21.525 -5.453 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 415 -20.739 -5.761 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 415 -21.330 -4.129 -4.713 1.00 0.00 H new ATOM 574 N ALA A 416 -24.958 -4.395 -7.680 1.00 0.00 N ATOM 575 CA ALA A 416 -26.262 -4.494 -8.323 1.00 0.00 C ATOM 576 C ALA A 416 -26.103 -4.587 -9.832 1.00 0.00 C ATOM 577 O ALA A 416 -27.010 -5.015 -10.542 1.00 0.00 O ATOM 578 CB ALA A 416 -27.106 -3.281 -7.980 1.00 0.00 C ATOM 0 H ALA A 416 -24.654 -3.438 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 416 -26.757 -5.395 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -28.078 -3.365 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -27.243 -3.227 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -26.604 -2.378 -8.328 1.00 0.00 H new ATOM 584 N GLN A 417 -24.939 -4.176 -10.314 1.00 0.00 N ATOM 585 CA GLN A 417 -24.654 -4.193 -11.732 1.00 0.00 C ATOM 586 C GLN A 417 -23.593 -5.226 -12.014 1.00 0.00 C ATOM 587 O GLN A 417 -23.191 -5.431 -13.158 1.00 0.00 O ATOM 588 CB GLN A 417 -24.189 -2.816 -12.211 1.00 0.00 C ATOM 589 CG GLN A 417 -25.313 -1.798 -12.332 1.00 0.00 C ATOM 590 CD GLN A 417 -26.355 -2.188 -13.365 1.00 0.00 C ATOM 591 OE1 GLN A 417 -25.940 -2.918 -14.390 1.00 0.00 O flip ATOM 592 NE2 GLN A 417 -27.526 -1.833 -13.247 1.00 0.00 N flip ATOM 0 H GLN A 417 -24.176 -3.825 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 417 -25.566 -4.448 -12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -23.439 -2.435 -11.518 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -23.703 -2.924 -13.180 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -25.796 -1.681 -11.362 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -24.891 -0.828 -12.597 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -27.810 -1.271 -12.444 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -28.213 -2.100 -13.952 1.00 0.00 H new ATOM 601 N MET A 418 -23.140 -5.872 -10.951 1.00 0.00 N ATOM 602 CA MET A 418 -22.131 -6.886 -11.065 1.00 0.00 C ATOM 603 C MET A 418 -22.809 -8.219 -11.285 1.00 0.00 C ATOM 604 O MET A 418 -23.825 -8.536 -10.659 1.00 0.00 O ATOM 605 CB MET A 418 -21.223 -6.896 -9.828 1.00 0.00 C ATOM 606 CG MET A 418 -21.458 -8.033 -8.852 1.00 0.00 C ATOM 607 SD MET A 418 -20.610 -7.757 -7.286 1.00 0.00 S ATOM 608 CE MET A 418 -18.971 -7.345 -7.875 1.00 0.00 C ATOM 0 H MET A 418 -23.464 -5.703 -9.999 1.00 0.00 H new ATOM 0 HA MET A 418 -21.486 -6.677 -11.918 1.00 0.00 H new ATOM 0 HB2 MET A 418 -20.186 -6.935 -10.161 1.00 0.00 H new ATOM 0 HB3 MET A 418 -21.352 -5.953 -9.297 1.00 0.00 H new ATOM 0 HG2 MET A 418 -22.527 -8.142 -8.672 1.00 0.00 H new ATOM 0 HG3 MET A 418 -21.112 -8.968 -9.293 1.00 0.00 H new ATOM 0 HE1 MET A 418 -18.229 -7.673 -7.146 1.00 0.00 H new ATOM 0 HE2 MET A 418 -18.790 -7.845 -8.827 1.00 0.00 H new ATOM 0 HE3 MET A 418 -18.894 -6.266 -8.011 1.00 0.00 H new ATOM 618 N THR A 419 -22.259 -8.970 -12.194 1.00 0.00 N ATOM 619 CA THR A 419 -22.808 -10.271 -12.544 1.00 0.00 C ATOM 620 C THR A 419 -22.522 -11.278 -11.437 1.00 0.00 C ATOM 621 O THR A 419 -21.722 -10.998 -10.543 1.00 0.00 O ATOM 622 CB THR A 419 -22.226 -10.786 -13.880 1.00 0.00 C ATOM 623 OG1 THR A 419 -20.837 -11.101 -13.734 1.00 0.00 O ATOM 624 CG2 THR A 419 -22.400 -9.754 -14.985 1.00 0.00 C ATOM 0 H THR A 419 -21.423 -8.711 -12.717 1.00 0.00 H new ATOM 0 HA THR A 419 -23.886 -10.157 -12.662 1.00 0.00 H new ATOM 0 HB THR A 419 -22.773 -11.688 -14.154 1.00 0.00 H new ATOM 0 HG1 THR A 419 -20.560 -11.703 -14.456 1.00 0.00 H new ATOM 0 HG21 THR A 419 -21.982 -10.142 -15.914 1.00 0.00 H new ATOM 0 HG22 THR A 419 -23.461 -9.545 -15.124 1.00 0.00 H new ATOM 0 HG23 THR A 419 -21.882 -8.835 -14.710 1.00 0.00 H new ATOM 632 N PRO A 420 -23.197 -12.445 -11.440 1.00 0.00 N ATOM 633 CA PRO A 420 -22.955 -13.484 -10.439 1.00 0.00 C ATOM 634 C PRO A 420 -21.465 -13.789 -10.334 1.00 0.00 C ATOM 635 O PRO A 420 -20.915 -13.889 -9.239 1.00 0.00 O ATOM 636 CB PRO A 420 -23.728 -14.688 -10.979 1.00 0.00 C ATOM 637 CG PRO A 420 -24.818 -14.096 -11.803 1.00 0.00 C ATOM 638 CD PRO A 420 -24.251 -12.834 -12.398 1.00 0.00 C ATOM 0 HA PRO A 420 -23.272 -13.197 -9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -23.086 -15.335 -11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -24.129 -15.297 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -25.136 -14.787 -12.584 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -25.695 -13.880 -11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -23.844 -13.007 -13.394 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -25.011 -12.059 -12.495 1.00 0.00 H new ATOM 646 N GLU A 421 -20.820 -13.887 -11.492 1.00 0.00 N ATOM 647 CA GLU A 421 -19.389 -14.147 -11.566 1.00 0.00 C ATOM 648 C GLU A 421 -18.616 -13.048 -10.849 1.00 0.00 C ATOM 649 O GLU A 421 -17.753 -13.324 -10.016 1.00 0.00 O ATOM 650 CB GLU A 421 -18.917 -14.209 -13.021 1.00 0.00 C ATOM 651 CG GLU A 421 -19.827 -15.002 -13.945 1.00 0.00 C ATOM 652 CD GLU A 421 -20.985 -14.172 -14.454 1.00 0.00 C ATOM 653 OE1 GLU A 421 -20.759 -13.292 -15.306 1.00 0.00 O ATOM 654 OE2 GLU A 421 -22.115 -14.375 -13.968 1.00 0.00 O ATOM 0 H GLU A 421 -21.273 -13.789 -12.401 1.00 0.00 H new ATOM 0 HA GLU A 421 -19.203 -15.108 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 421 -18.827 -13.193 -13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 421 -17.920 -14.649 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 421 -19.249 -15.374 -14.791 1.00 0.00 H new ATOM 0 HG3 GLU A 421 -20.212 -15.873 -13.414 1.00 0.00 H new ATOM 661 N GLU A 422 -18.944 -11.797 -11.169 1.00 0.00 N ATOM 662 CA GLU A 422 -18.288 -10.653 -10.570 1.00 0.00 C ATOM 663 C GLU A 422 -18.561 -10.609 -9.070 1.00 0.00 C ATOM 664 O GLU A 422 -17.662 -10.326 -8.281 1.00 0.00 O ATOM 665 CB GLU A 422 -18.755 -9.386 -11.281 1.00 0.00 C ATOM 666 CG GLU A 422 -18.356 -9.374 -12.748 1.00 0.00 C ATOM 667 CD GLU A 422 -18.813 -8.135 -13.478 1.00 0.00 C ATOM 668 OE1 GLU A 422 -19.925 -7.646 -13.189 1.00 0.00 O ATOM 669 OE2 GLU A 422 -18.057 -7.642 -14.344 1.00 0.00 O ATOM 0 H GLU A 422 -19.668 -11.557 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 422 -17.208 -10.733 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -19.839 -9.304 -11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -18.331 -8.514 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -17.272 -9.453 -12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -18.775 -10.252 -13.239 1.00 0.00 H new ATOM 676 N LYS A 423 -19.801 -10.887 -8.684 1.00 0.00 N ATOM 677 CA LYS A 423 -20.182 -10.929 -7.273 1.00 0.00 C ATOM 678 C LYS A 423 -19.355 -11.961 -6.523 1.00 0.00 C ATOM 679 O LYS A 423 -18.831 -11.679 -5.448 1.00 0.00 O ATOM 680 CB LYS A 423 -21.665 -11.270 -7.136 1.00 0.00 C ATOM 681 CG LYS A 423 -22.279 -10.805 -5.824 1.00 0.00 C ATOM 682 CD LYS A 423 -23.684 -11.358 -5.634 1.00 0.00 C ATOM 683 CE LYS A 423 -23.665 -12.744 -5.004 1.00 0.00 C ATOM 684 NZ LYS A 423 -23.242 -13.795 -5.968 1.00 0.00 N ATOM 0 H LYS A 423 -20.564 -11.088 -9.330 1.00 0.00 H new ATOM 0 HA LYS A 423 -19.995 -9.945 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -22.211 -10.817 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -21.791 -12.349 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -21.648 -11.122 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -22.310 -9.716 -5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -24.259 -10.680 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -24.190 -11.404 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -22.988 -12.743 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -24.658 -12.982 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -23.737 -14.684 -5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -23.478 -13.494 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -22.215 -13.943 -5.892 1.00 0.00 H new ATOM 698 N GLU A 424 -19.225 -13.146 -7.104 1.00 0.00 N ATOM 699 CA GLU A 424 -18.457 -14.217 -6.483 1.00 0.00 C ATOM 700 C GLU A 424 -16.994 -13.822 -6.428 1.00 0.00 C ATOM 701 O GLU A 424 -16.296 -14.097 -5.455 1.00 0.00 O ATOM 702 CB GLU A 424 -18.625 -15.531 -7.251 1.00 0.00 C ATOM 703 CG GLU A 424 -19.690 -16.454 -6.668 1.00 0.00 C ATOM 704 CD GLU A 424 -20.999 -15.744 -6.374 1.00 0.00 C ATOM 705 OE1 GLU A 424 -21.133 -15.154 -5.278 1.00 0.00 O ATOM 706 OE2 GLU A 424 -21.906 -15.764 -7.231 1.00 0.00 O ATOM 0 H GLU A 424 -19.641 -13.390 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 424 -18.829 -14.373 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -18.880 -15.306 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -17.670 -16.057 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -19.876 -17.271 -7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -19.311 -16.900 -5.748 1.00 0.00 H new ATOM 713 N ALA A 425 -16.545 -13.161 -7.486 1.00 0.00 N ATOM 714 CA ALA A 425 -15.179 -12.685 -7.571 1.00 0.00 C ATOM 715 C ALA A 425 -14.923 -11.657 -6.477 1.00 0.00 C ATOM 716 O ALA A 425 -13.903 -11.702 -5.792 1.00 0.00 O ATOM 717 CB ALA A 425 -14.925 -12.087 -8.944 1.00 0.00 C ATOM 0 H ALA A 425 -17.116 -12.943 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 425 -14.494 -13.520 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -13.896 -11.731 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -15.089 -12.847 -9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -15.607 -11.253 -9.110 1.00 0.00 H new ATOM 723 N TYR A 426 -15.873 -10.741 -6.314 1.00 0.00 N ATOM 724 CA TYR A 426 -15.790 -9.709 -5.299 1.00 0.00 C ATOM 725 C TYR A 426 -15.781 -10.345 -3.914 1.00 0.00 C ATOM 726 O TYR A 426 -14.962 -9.994 -3.066 1.00 0.00 O ATOM 727 CB TYR A 426 -16.976 -8.746 -5.464 1.00 0.00 C ATOM 728 CG TYR A 426 -17.430 -8.055 -4.198 1.00 0.00 C ATOM 729 CD1 TYR A 426 -16.856 -6.859 -3.792 1.00 0.00 C ATOM 730 CD2 TYR A 426 -18.443 -8.596 -3.417 1.00 0.00 C ATOM 731 CE1 TYR A 426 -17.278 -6.222 -2.643 1.00 0.00 C ATOM 732 CE2 TYR A 426 -18.869 -7.968 -2.267 1.00 0.00 C ATOM 733 CZ TYR A 426 -18.285 -6.782 -1.882 1.00 0.00 C ATOM 734 OH TYR A 426 -18.708 -6.155 -0.734 1.00 0.00 O ATOM 0 H TYR A 426 -16.718 -10.698 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 426 -14.865 -9.144 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 426 -16.706 -7.985 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 426 -17.818 -9.301 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 426 -16.067 -6.420 -4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 426 -18.905 -9.525 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 426 -16.823 -5.290 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 426 -19.657 -8.404 -1.671 1.00 0.00 H new ATOM 0 HH TYR A 426 -19.423 -6.681 -0.319 1.00 0.00 H new ATOM 744 N ILE A 427 -16.684 -11.296 -3.703 1.00 0.00 N ATOM 745 CA ILE A 427 -16.778 -11.989 -2.427 1.00 0.00 C ATOM 746 C ILE A 427 -15.477 -12.731 -2.115 1.00 0.00 C ATOM 747 O ILE A 427 -14.919 -12.597 -1.025 1.00 0.00 O ATOM 748 CB ILE A 427 -17.964 -12.980 -2.406 1.00 0.00 C ATOM 749 CG1 ILE A 427 -19.287 -12.212 -2.395 1.00 0.00 C ATOM 750 CG2 ILE A 427 -17.879 -13.908 -1.199 1.00 0.00 C ATOM 751 CD1 ILE A 427 -20.504 -13.090 -2.591 1.00 0.00 C ATOM 0 H ILE A 427 -17.361 -11.604 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 427 -16.950 -11.233 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 427 -17.916 -13.593 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 427 -19.381 -11.683 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 427 -19.265 -11.457 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 427 -18.725 -14.595 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 427 -16.950 -14.476 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 427 -17.901 -13.317 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 427 -21.404 -12.475 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 427 -20.434 -13.600 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 427 -20.552 -13.829 -1.791 1.00 0.00 H new ATOM 763 N ALA A 428 -14.990 -13.491 -3.093 1.00 0.00 N ATOM 764 CA ALA A 428 -13.755 -14.257 -2.939 1.00 0.00 C ATOM 765 C ALA A 428 -12.561 -13.340 -2.682 1.00 0.00 C ATOM 766 O ALA A 428 -11.596 -13.726 -2.025 1.00 0.00 O ATOM 767 CB ALA A 428 -13.515 -15.112 -4.176 1.00 0.00 C ATOM 0 H ALA A 428 -15.434 -13.593 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 428 -13.864 -14.908 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -12.593 -15.679 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -14.349 -15.800 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -13.431 -14.469 -5.052 1.00 0.00 H new ATOM 773 N MET A 429 -12.633 -12.126 -3.211 1.00 0.00 N ATOM 774 CA MET A 429 -11.573 -11.145 -3.029 1.00 0.00 C ATOM 775 C MET A 429 -11.527 -10.672 -1.585 1.00 0.00 C ATOM 776 O MET A 429 -10.451 -10.518 -1.010 1.00 0.00 O ATOM 777 CB MET A 429 -11.796 -9.949 -3.954 1.00 0.00 C ATOM 778 CG MET A 429 -11.147 -10.091 -5.317 1.00 0.00 C ATOM 779 SD MET A 429 -11.477 -8.668 -6.369 1.00 0.00 S ATOM 780 CE MET A 429 -11.608 -7.368 -5.141 1.00 0.00 C ATOM 0 H MET A 429 -13.418 -11.796 -3.772 1.00 0.00 H new ATOM 0 HA MET A 429 -10.623 -11.618 -3.276 1.00 0.00 H new ATOM 0 HB2 MET A 429 -12.868 -9.801 -4.087 1.00 0.00 H new ATOM 0 HB3 MET A 429 -11.408 -9.052 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 429 -10.070 -10.211 -5.196 1.00 0.00 H new ATOM 0 HG3 MET A 429 -11.516 -10.995 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 429 -11.153 -6.456 -5.527 1.00 0.00 H new ATOM 0 HE2 MET A 429 -12.659 -7.183 -4.918 1.00 0.00 H new ATOM 0 HE3 MET A 429 -11.092 -7.674 -4.231 1.00 0.00 H new ATOM 790 N GLY A 430 -12.706 -10.474 -1.000 1.00 0.00 N ATOM 791 CA GLY A 430 -12.793 -10.017 0.371 1.00 0.00 C ATOM 792 C GLY A 430 -12.227 -11.031 1.330 1.00 0.00 C ATOM 793 O GLY A 430 -11.679 -10.673 2.367 1.00 0.00 O ATOM 0 H GLY A 430 -13.606 -10.624 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -12.254 -9.075 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -13.835 -9.818 0.624 1.00 0.00 H new ATOM 797 N GLN A 431 -12.339 -12.298 0.956 1.00 0.00 N ATOM 798 CA GLN A 431 -11.831 -13.395 1.768 1.00 0.00 C ATOM 799 C GLN A 431 -10.327 -13.264 1.999 1.00 0.00 C ATOM 800 O GLN A 431 -9.790 -13.803 2.955 1.00 0.00 O ATOM 801 CB GLN A 431 -12.141 -14.732 1.096 1.00 0.00 C ATOM 802 CG GLN A 431 -13.627 -15.043 1.022 1.00 0.00 C ATOM 803 CD GLN A 431 -13.900 -16.463 0.576 1.00 0.00 C ATOM 804 OE1 GLN A 431 -14.103 -16.732 -0.608 1.00 0.00 O ATOM 805 NE2 GLN A 431 -13.894 -17.384 1.524 1.00 0.00 N ATOM 0 H GLN A 431 -12.782 -12.593 0.086 1.00 0.00 H new ATOM 0 HA GLN A 431 -12.327 -13.354 2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -11.728 -14.727 0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -11.638 -15.530 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -14.078 -14.880 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -14.106 -14.350 0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -13.721 -17.117 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -14.062 -18.362 1.286 1.00 0.00 H new ATOM 814 N ARG A 432 -9.650 -12.526 1.130 1.00 0.00 N ATOM 815 CA ARG A 432 -8.211 -12.339 1.263 1.00 0.00 C ATOM 816 C ARG A 432 -7.893 -11.256 2.286 1.00 0.00 C ATOM 817 O ARG A 432 -6.808 -11.213 2.856 1.00 0.00 O ATOM 818 CB ARG A 432 -7.597 -12.012 -0.089 1.00 0.00 C ATOM 819 CG ARG A 432 -7.385 -13.248 -0.935 1.00 0.00 C ATOM 820 CD ARG A 432 -5.910 -13.480 -1.226 1.00 0.00 C ATOM 821 NE ARG A 432 -5.194 -13.993 -0.052 1.00 0.00 N ATOM 822 CZ ARG A 432 -3.872 -14.144 0.017 1.00 0.00 C ATOM 823 NH1 ARG A 432 -3.098 -13.758 -0.987 1.00 0.00 N ATOM 824 NH2 ARG A 432 -3.317 -14.650 1.107 1.00 0.00 N ATOM 0 H ARG A 432 -10.069 -12.050 0.331 1.00 0.00 H new ATOM 0 HA ARG A 432 -7.773 -13.270 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -8.245 -11.316 -0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -6.642 -11.508 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -7.796 -14.117 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -7.930 -13.145 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -5.809 -14.187 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -5.453 -12.545 -1.550 1.00 0.00 H new ATOM 0 HE ARG A 432 -5.746 -14.251 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -3.513 -13.342 -1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -2.087 -13.877 -0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -3.902 -14.925 1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -2.305 -14.765 1.158 1.00 0.00 H new ATOM 838 N MET A 433 -8.827 -10.353 2.489 1.00 0.00 N ATOM 839 CA MET A 433 -8.649 -9.302 3.474 1.00 0.00 C ATOM 840 C MET A 433 -9.341 -9.700 4.766 1.00 0.00 C ATOM 841 O MET A 433 -9.220 -9.025 5.785 1.00 0.00 O ATOM 842 CB MET A 433 -9.214 -7.979 2.964 1.00 0.00 C ATOM 843 CG MET A 433 -8.745 -7.622 1.567 1.00 0.00 C ATOM 844 SD MET A 433 -10.066 -7.753 0.350 1.00 0.00 S ATOM 845 CE MET A 433 -10.957 -6.239 0.675 1.00 0.00 C ATOM 0 H MET A 433 -9.715 -10.323 1.989 1.00 0.00 H new ATOM 0 HA MET A 433 -7.583 -9.168 3.656 1.00 0.00 H new ATOM 0 HB2 MET A 433 -10.303 -8.031 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 433 -8.928 -7.182 3.650 1.00 0.00 H new ATOM 0 HG2 MET A 433 -8.353 -6.605 1.566 1.00 0.00 H new ATOM 0 HG3 MET A 433 -7.924 -8.280 1.282 1.00 0.00 H new ATOM 0 HE1 MET A 433 -11.970 -6.476 1.001 1.00 0.00 H new ATOM 0 HE2 MET A 433 -10.446 -5.677 1.457 1.00 0.00 H new ATOM 0 HE3 MET A 433 -10.999 -5.639 -0.234 1.00 0.00 H new ATOM 855 N PHE A 434 -10.065 -10.812 4.709 1.00 0.00 N ATOM 856 CA PHE A 434 -10.816 -11.300 5.852 1.00 0.00 C ATOM 857 C PHE A 434 -10.246 -12.593 6.431 1.00 0.00 C ATOM 858 O PHE A 434 -9.990 -12.674 7.634 1.00 0.00 O ATOM 859 CB PHE A 434 -12.282 -11.495 5.454 1.00 0.00 C ATOM 860 CG PHE A 434 -13.127 -10.270 5.666 1.00 0.00 C ATOM 861 CD1 PHE A 434 -13.737 -10.035 6.887 1.00 0.00 C ATOM 862 CD2 PHE A 434 -13.311 -9.353 4.643 1.00 0.00 C ATOM 863 CE1 PHE A 434 -14.513 -8.910 7.085 1.00 0.00 C ATOM 864 CE2 PHE A 434 -14.086 -8.226 4.834 1.00 0.00 C ATOM 865 CZ PHE A 434 -14.688 -8.004 6.057 1.00 0.00 C ATOM 0 H PHE A 434 -10.146 -11.394 3.875 1.00 0.00 H new ATOM 0 HA PHE A 434 -10.737 -10.549 6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -12.330 -11.783 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -12.700 -12.320 6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -13.604 -10.740 7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -12.842 -9.522 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -14.983 -8.739 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -14.221 -7.519 4.028 1.00 0.00 H new ATOM 0 HZ PHE A 434 -15.295 -7.124 6.209 1.00 0.00 H new ATOM 875 N GLU A 435 -10.015 -13.591 5.589 1.00 0.00 N ATOM 876 CA GLU A 435 -9.509 -14.875 6.069 1.00 0.00 C ATOM 877 C GLU A 435 -7.993 -14.906 6.110 1.00 0.00 C ATOM 878 O GLU A 435 -7.384 -15.911 6.476 1.00 0.00 O ATOM 879 CB GLU A 435 -10.048 -16.032 5.221 1.00 0.00 C ATOM 880 CG GLU A 435 -11.468 -16.440 5.584 1.00 0.00 C ATOM 881 CD GLU A 435 -12.510 -15.844 4.658 1.00 0.00 C ATOM 882 OE1 GLU A 435 -12.620 -14.602 4.602 1.00 0.00 O ATOM 883 OE2 GLU A 435 -13.222 -16.622 3.986 1.00 0.00 O ATOM 0 H GLU A 435 -10.167 -13.541 4.582 1.00 0.00 H new ATOM 0 HA GLU A 435 -9.869 -14.998 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -10.018 -15.746 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -9.390 -16.894 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -11.546 -17.527 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -11.679 -16.130 6.607 1.00 0.00 H new ATOM 890 N ASP A 436 -7.397 -13.787 5.771 1.00 0.00 N ATOM 891 CA ASP A 436 -5.944 -13.664 5.774 1.00 0.00 C ATOM 892 C ASP A 436 -5.510 -12.701 6.867 1.00 0.00 C ATOM 893 O ASP A 436 -4.748 -11.764 6.624 1.00 0.00 O ATOM 894 CB ASP A 436 -5.424 -13.175 4.422 1.00 0.00 C ATOM 895 CG ASP A 436 -5.326 -14.273 3.382 1.00 0.00 C ATOM 896 OD1 ASP A 436 -4.384 -15.084 3.458 1.00 0.00 O ATOM 897 OD2 ASP A 436 -6.160 -14.298 2.453 1.00 0.00 O ATOM 0 H ASP A 436 -7.891 -12.941 5.487 1.00 0.00 H new ATOM 0 HA ASP A 436 -5.523 -14.651 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -6.083 -12.390 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -4.440 -12.727 4.560 1.00 0.00 H new ATOM 1036 N GLU B 7 10.727 -5.473 -12.794 1.00 0.00 N ATOM 1037 CA GLU B 7 9.502 -4.775 -13.137 1.00 0.00 C ATOM 1038 C GLU B 7 9.233 -3.661 -12.161 1.00 0.00 C ATOM 1039 O GLU B 7 9.323 -3.856 -10.953 1.00 0.00 O ATOM 1040 CB GLU B 7 8.318 -5.724 -13.092 1.00 0.00 C ATOM 1041 CG GLU B 7 8.177 -6.594 -14.308 1.00 0.00 C ATOM 1042 CD GLU B 7 9.368 -7.513 -14.521 1.00 0.00 C ATOM 1043 OE1 GLU B 7 9.922 -8.013 -13.514 1.00 0.00 O ATOM 1044 OE2 GLU B 7 9.758 -7.724 -15.685 1.00 0.00 O ATOM 0 HA GLU B 7 9.628 -4.373 -14.142 1.00 0.00 H new ATOM 0 HB2 GLU B 7 8.411 -6.361 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU B 7 7.405 -5.142 -12.968 1.00 0.00 H new ATOM 0 HG2 GLU B 7 7.273 -7.196 -14.215 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.050 -5.962 -15.187 1.00 0.00 H new ATOM 1051 N VAL B 8 8.889 -2.503 -12.675 1.00 0.00 N ATOM 1052 CA VAL B 8 8.596 -1.381 -11.825 1.00 0.00 C ATOM 1053 C VAL B 8 7.267 -0.776 -12.182 1.00 0.00 C ATOM 1054 O VAL B 8 7.003 -0.420 -13.330 1.00 0.00 O ATOM 1055 CB VAL B 8 9.704 -0.336 -11.860 1.00 0.00 C ATOM 1056 CG1 VAL B 8 9.273 0.925 -11.127 1.00 0.00 C ATOM 1057 CG2 VAL B 8 10.927 -0.948 -11.222 1.00 0.00 C ATOM 0 H VAL B 8 8.806 -2.317 -13.675 1.00 0.00 H new ATOM 0 HA VAL B 8 8.540 -1.751 -10.801 1.00 0.00 H new ATOM 0 HB VAL B 8 9.926 -0.046 -12.887 1.00 0.00 H new ATOM 0 HG11 VAL B 8 10.077 1.660 -11.163 1.00 0.00 H new ATOM 0 HG12 VAL B 8 8.384 1.337 -11.604 1.00 0.00 H new ATOM 0 HG13 VAL B 8 9.048 0.683 -10.088 1.00 0.00 H new ATOM 0 HG21 VAL B 8 11.742 -0.225 -11.230 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.700 -1.227 -10.193 1.00 0.00 H new ATOM 0 HG23 VAL B 8 11.224 -1.835 -11.781 1.00 0.00 H new ATOM 1067 N LEU B 9 6.434 -0.701 -11.178 1.00 0.00 N ATOM 1068 CA LEU B 9 5.102 -0.171 -11.312 1.00 0.00 C ATOM 1069 C LEU B 9 5.114 1.336 -11.168 1.00 0.00 C ATOM 1070 O LEU B 9 4.497 2.053 -11.954 1.00 0.00 O ATOM 1071 CB LEU B 9 4.208 -0.779 -10.233 1.00 0.00 C ATOM 1072 CG LEU B 9 4.609 -2.186 -9.788 1.00 0.00 C ATOM 1073 CD1 LEU B 9 4.008 -2.516 -8.442 1.00 0.00 C ATOM 1074 CD2 LEU B 9 4.186 -3.206 -10.817 1.00 0.00 C ATOM 0 H LEU B 9 6.663 -1.010 -10.233 1.00 0.00 H new ATOM 0 HA LEU B 9 4.718 -0.424 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU B 9 4.214 -0.122 -9.363 1.00 0.00 H new ATOM 0 HB3 LEU B 9 3.183 -0.808 -10.603 1.00 0.00 H new ATOM 0 HG LEU B 9 5.695 -2.216 -9.694 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.307 -3.522 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU B 9 4.361 -1.800 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU B 9 2.921 -2.465 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU B 9 4.479 -4.202 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU B 9 3.104 -3.169 -10.942 1.00 0.00 H new ATOM 0 HD23 LEU B 9 4.669 -2.985 -11.769 1.00 0.00 H new ATOM 1086 N LEU B 10 5.820 1.814 -10.160 1.00 0.00 N ATOM 1087 CA LEU B 10 5.878 3.238 -9.908 1.00 0.00 C ATOM 1088 C LEU B 10 7.240 3.684 -9.400 1.00 0.00 C ATOM 1089 O LEU B 10 7.845 3.032 -8.547 1.00 0.00 O ATOM 1090 CB LEU B 10 4.812 3.589 -8.888 1.00 0.00 C ATOM 1091 CG LEU B 10 4.354 5.040 -8.896 1.00 0.00 C ATOM 1092 CD1 LEU B 10 3.535 5.339 -10.142 1.00 0.00 C ATOM 1093 CD2 LEU B 10 3.549 5.333 -7.644 1.00 0.00 C ATOM 0 H LEU B 10 6.356 1.241 -9.509 1.00 0.00 H new ATOM 0 HA LEU B 10 5.705 3.758 -10.850 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.945 2.951 -9.059 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.191 3.351 -7.894 1.00 0.00 H new ATOM 0 HG LEU B 10 5.233 5.685 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.218 6.382 -10.127 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.142 5.157 -11.029 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.657 4.693 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.224 6.373 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.676 4.681 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.167 5.156 -6.764 1.00 0.00 H new ATOM 1105 N ILE B 11 7.711 4.798 -9.939 1.00 0.00 N ATOM 1106 CA ILE B 11 8.977 5.387 -9.535 1.00 0.00 C ATOM 1107 C ILE B 11 8.714 6.750 -8.927 1.00 0.00 C ATOM 1108 O ILE B 11 8.447 7.712 -9.646 1.00 0.00 O ATOM 1109 CB ILE B 11 9.949 5.569 -10.721 1.00 0.00 C ATOM 1110 CG1 ILE B 11 10.260 4.224 -11.377 1.00 0.00 C ATOM 1111 CG2 ILE B 11 11.227 6.254 -10.251 1.00 0.00 C ATOM 1112 CD1 ILE B 11 11.075 4.340 -12.646 1.00 0.00 C ATOM 0 H ILE B 11 7.225 5.319 -10.669 1.00 0.00 H new ATOM 0 HA ILE B 11 9.438 4.707 -8.819 1.00 0.00 H new ATOM 0 HB ILE B 11 9.472 6.203 -11.469 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.799 3.599 -10.665 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.323 3.715 -11.603 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.905 6.377 -11.095 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.984 7.232 -9.835 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.707 5.643 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.256 3.346 -13.054 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.529 4.938 -13.376 1.00 0.00 H new ATOM 0 HD13 ILE B 11 12.028 4.820 -12.424 1.00 0.00 H new ATOM 1124 N VAL B 12 8.760 6.841 -7.612 1.00 0.00 N ATOM 1125 CA VAL B 12 8.518 8.106 -6.964 1.00 0.00 C ATOM 1126 C VAL B 12 9.831 8.723 -6.532 1.00 0.00 C ATOM 1127 O VAL B 12 10.721 8.023 -6.057 1.00 0.00 O ATOM 1128 CB VAL B 12 7.592 7.940 -5.750 1.00 0.00 C ATOM 1129 CG1 VAL B 12 7.012 9.278 -5.337 1.00 0.00 C ATOM 1130 CG2 VAL B 12 6.486 6.945 -6.055 1.00 0.00 C ATOM 0 H VAL B 12 8.960 6.064 -6.983 1.00 0.00 H new ATOM 0 HA VAL B 12 8.025 8.765 -7.678 1.00 0.00 H new ATOM 0 HB VAL B 12 8.180 7.552 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.358 9.141 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.821 9.960 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.439 9.697 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.840 6.840 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL B 12 5.899 7.302 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.924 5.978 -6.300 1.00 0.00 H new ATOM 1140 N LYS B 13 9.962 10.022 -6.717 1.00 0.00 N ATOM 1141 CA LYS B 13 11.175 10.723 -6.336 1.00 0.00 C ATOM 1142 C LYS B 13 10.895 11.676 -5.197 1.00 0.00 C ATOM 1143 O LYS B 13 9.742 11.907 -4.849 1.00 0.00 O ATOM 1144 CB LYS B 13 11.773 11.476 -7.517 1.00 0.00 C ATOM 1145 CG LYS B 13 12.021 10.597 -8.724 1.00 0.00 C ATOM 1146 CD LYS B 13 12.952 9.432 -8.409 1.00 0.00 C ATOM 1147 CE LYS B 13 14.394 9.886 -8.265 1.00 0.00 C ATOM 1148 NZ LYS B 13 14.845 9.868 -6.847 1.00 0.00 N ATOM 0 H LYS B 13 9.242 10.615 -7.130 1.00 0.00 H new ATOM 0 HA LYS B 13 11.902 9.980 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.102 12.287 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS B 13 12.714 11.933 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.070 10.211 -9.091 1.00 0.00 H new ATOM 0 HG3 LYS B 13 12.452 11.197 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.630 8.948 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.883 8.687 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS B 13 15.039 9.238 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS B 13 14.498 10.894 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.419 10.714 -6.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.016 9.862 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.416 9.016 -6.675 1.00 0.00 H new ATOM 1162 N LYS B 14 11.964 12.214 -4.620 1.00 0.00 N ATOM 1163 CA LYS B 14 11.872 13.128 -3.493 1.00 0.00 C ATOM 1164 C LYS B 14 11.164 12.463 -2.313 1.00 0.00 C ATOM 1165 O LYS B 14 10.690 13.129 -1.390 1.00 0.00 O ATOM 1166 CB LYS B 14 11.158 14.394 -3.938 1.00 0.00 C ATOM 1167 CG LYS B 14 12.099 15.459 -4.473 1.00 0.00 C ATOM 1168 CD LYS B 14 12.960 16.049 -3.370 1.00 0.00 C ATOM 1169 CE LYS B 14 14.361 16.381 -3.868 1.00 0.00 C ATOM 1170 NZ LYS B 14 15.311 15.243 -3.699 1.00 0.00 N ATOM 0 H LYS B 14 12.920 12.027 -4.923 1.00 0.00 H new ATOM 0 HA LYS B 14 12.873 13.394 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS B 14 10.431 14.141 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS B 14 10.599 14.803 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS B 14 12.738 15.027 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS B 14 11.520 16.252 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS B 14 12.488 16.952 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS B 14 13.025 15.343 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.313 16.657 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS B 14 14.739 17.249 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 16.278 15.564 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 15.266 14.895 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 15.053 14.475 -4.351 1.00 0.00 H new ATOM 1184 N VAL B 15 11.122 11.135 -2.352 1.00 0.00 N ATOM 1185 CA VAL B 15 10.489 10.348 -1.302 1.00 0.00 C ATOM 1186 C VAL B 15 11.385 10.330 -0.072 1.00 0.00 C ATOM 1187 O VAL B 15 12.440 9.710 -0.083 1.00 0.00 O ATOM 1188 CB VAL B 15 10.219 8.903 -1.783 1.00 0.00 C ATOM 1189 CG1 VAL B 15 9.323 8.158 -0.813 1.00 0.00 C ATOM 1190 CG2 VAL B 15 9.585 8.919 -3.154 1.00 0.00 C ATOM 0 H VAL B 15 11.523 10.578 -3.107 1.00 0.00 H new ATOM 0 HA VAL B 15 9.532 10.806 -1.050 1.00 0.00 H new ATOM 0 HB VAL B 15 11.176 8.384 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL B 15 9.152 7.146 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL B 15 9.803 8.114 0.165 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.369 8.678 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.400 7.896 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL B 15 8.641 9.463 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.256 9.410 -3.859 1.00 0.00 H new ATOM 1200 N ARG B 16 10.965 11.005 0.983 1.00 0.00 N ATOM 1201 CA ARG B 16 11.763 11.101 2.195 1.00 0.00 C ATOM 1202 C ARG B 16 11.470 9.981 3.182 1.00 0.00 C ATOM 1203 O ARG B 16 10.324 9.606 3.400 1.00 0.00 O ATOM 1204 CB ARG B 16 11.534 12.456 2.876 1.00 0.00 C ATOM 1205 CG ARG B 16 11.540 13.629 1.911 1.00 0.00 C ATOM 1206 CD ARG B 16 11.762 14.953 2.626 1.00 0.00 C ATOM 1207 NE ARG B 16 12.861 15.714 2.029 1.00 0.00 N ATOM 1208 CZ ARG B 16 12.723 16.908 1.452 1.00 0.00 C ATOM 1209 NH1 ARG B 16 11.534 17.501 1.410 1.00 0.00 N ATOM 1210 NH2 ARG B 16 13.780 17.498 0.908 1.00 0.00 N ATOM 0 H ARG B 16 10.073 11.497 1.026 1.00 0.00 H new ATOM 0 HA ARG B 16 12.806 11.006 1.891 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.579 12.433 3.401 1.00 0.00 H new ATOM 0 HB3 ARG B 16 12.308 12.611 3.628 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.323 13.483 1.167 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.592 13.661 1.374 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.847 15.545 2.588 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.978 14.767 3.678 1.00 0.00 H new ATOM 0 HE ARG B 16 13.794 15.303 2.056 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.721 17.043 1.821 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.435 18.414 0.967 1.00 0.00 H new ATOM 0 HH21 ARG B 16 14.690 17.038 0.933 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.682 18.411 0.465 1.00 0.00 H new ATOM 1224 N GLN B 17 12.534 9.441 3.742 1.00 0.00 N ATOM 1225 CA GLN B 17 12.446 8.402 4.750 1.00 0.00 C ATOM 1226 C GLN B 17 13.312 8.830 5.920 1.00 0.00 C ATOM 1227 O GLN B 17 14.526 8.621 5.913 1.00 0.00 O ATOM 1228 CB GLN B 17 12.905 7.048 4.201 1.00 0.00 C ATOM 1229 CG GLN B 17 12.224 5.856 4.859 1.00 0.00 C ATOM 1230 CD GLN B 17 12.788 5.520 6.229 1.00 0.00 C ATOM 1231 OE1 GLN B 17 14.079 5.745 6.416 1.00 0.00 O flip ATOM 1232 NE2 GLN B 17 12.071 5.058 7.110 1.00 0.00 N flip ATOM 0 H GLN B 17 13.490 9.712 3.510 1.00 0.00 H new ATOM 0 HA GLN B 17 11.410 8.275 5.064 1.00 0.00 H new ATOM 0 HB2 GLN B 17 12.714 7.017 3.128 1.00 0.00 H new ATOM 0 HB3 GLN B 17 13.983 6.958 4.335 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.158 6.063 4.954 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.324 4.986 4.210 1.00 0.00 H new ATOM 0 HE21 GLN B 17 11.080 4.898 6.929 1.00 0.00 H new ATOM 0 HE22 GLN B 17 12.466 4.834 8.023 1.00 0.00 H new ATOM 1241 N LYS B 18 12.680 9.484 6.884 1.00 0.00 N ATOM 1242 CA LYS B 18 13.353 9.997 8.070 1.00 0.00 C ATOM 1243 C LYS B 18 14.279 11.148 7.685 1.00 0.00 C ATOM 1244 O LYS B 18 15.492 11.084 7.877 1.00 0.00 O ATOM 1245 CB LYS B 18 14.122 8.897 8.816 1.00 0.00 C ATOM 1246 CG LYS B 18 14.389 9.229 10.279 1.00 0.00 C ATOM 1247 CD LYS B 18 13.095 9.467 11.048 1.00 0.00 C ATOM 1248 CE LYS B 18 13.153 10.755 11.861 1.00 0.00 C ATOM 1249 NZ LYS B 18 13.396 11.940 11.002 1.00 0.00 N ATOM 0 H LYS B 18 11.678 9.675 6.866 1.00 0.00 H new ATOM 0 HA LYS B 18 12.591 10.368 8.755 1.00 0.00 H new ATOM 0 HB2 LYS B 18 13.556 7.967 8.760 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.072 8.723 8.312 1.00 0.00 H new ATOM 0 HG2 LYS B 18 14.943 8.412 10.742 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.018 10.117 10.342 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.260 9.515 10.349 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.906 8.624 11.713 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.216 10.885 12.403 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.944 10.679 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.195 12.807 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.389 11.947 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.774 11.899 10.169 1.00 0.00 H new ATOM 1263 N LYS B 19 13.675 12.187 7.104 1.00 0.00 N ATOM 1264 CA LYS B 19 14.388 13.396 6.680 1.00 0.00 C ATOM 1265 C LYS B 19 15.423 13.110 5.581 1.00 0.00 C ATOM 1266 O LYS B 19 16.353 13.887 5.373 1.00 0.00 O ATOM 1267 CB LYS B 19 15.050 14.070 7.892 1.00 0.00 C ATOM 1268 CG LYS B 19 15.364 15.547 7.688 1.00 0.00 C ATOM 1269 CD LYS B 19 15.346 16.320 9.002 1.00 0.00 C ATOM 1270 CE LYS B 19 16.230 15.670 10.054 1.00 0.00 C ATOM 1271 NZ LYS B 19 15.431 15.074 11.152 1.00 0.00 N ATOM 0 H LYS B 19 12.673 12.214 6.913 1.00 0.00 H new ATOM 0 HA LYS B 19 13.653 14.076 6.249 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.394 13.965 8.756 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.974 13.542 8.128 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.344 15.649 7.221 1.00 0.00 H new ATOM 0 HG3 LYS B 19 14.637 15.981 7.002 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.682 17.342 8.827 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.323 16.380 9.374 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.841 14.897 9.588 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.914 16.413 10.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.968 14.298 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.227 15.801 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.537 14.704 10.770 1.00 0.00 H new ATOM 1285 N GLN B 20 15.253 12.003 4.869 1.00 0.00 N ATOM 1286 CA GLN B 20 16.162 11.645 3.792 1.00 0.00 C ATOM 1287 C GLN B 20 15.357 11.437 2.519 1.00 0.00 C ATOM 1288 O GLN B 20 14.705 10.409 2.368 1.00 0.00 O ATOM 1289 CB GLN B 20 16.928 10.367 4.151 1.00 0.00 C ATOM 1290 CG GLN B 20 18.131 10.094 3.261 1.00 0.00 C ATOM 1291 CD GLN B 20 19.271 11.069 3.495 1.00 0.00 C ATOM 1292 OE1 GLN B 20 19.370 11.593 4.709 1.00 0.00 O flip ATOM 1293 NE2 GLN B 20 20.057 11.347 2.593 1.00 0.00 N flip ATOM 0 H GLN B 20 14.494 11.339 5.019 1.00 0.00 H new ATOM 0 HA GLN B 20 16.886 12.446 3.640 1.00 0.00 H new ATOM 0 HB2 GLN B 20 17.263 10.436 5.186 1.00 0.00 H new ATOM 0 HB3 GLN B 20 16.246 9.519 4.092 1.00 0.00 H new ATOM 0 HG2 GLN B 20 18.485 9.079 3.439 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.823 10.146 2.217 1.00 0.00 H new ATOM 0 HE21 GLN B 20 19.947 10.923 1.672 1.00 0.00 H new ATOM 0 HE22 GLN B 20 20.820 12.002 2.765 1.00 0.00 H new ATOM 1302 N ASP B 21 15.367 12.414 1.623 1.00 0.00 N ATOM 1303 CA ASP B 21 14.603 12.297 0.386 1.00 0.00 C ATOM 1304 C ASP B 21 15.349 11.525 -0.677 1.00 0.00 C ATOM 1305 O ASP B 21 16.513 11.787 -0.968 1.00 0.00 O ATOM 1306 CB ASP B 21 14.173 13.658 -0.169 1.00 0.00 C ATOM 1307 CG ASP B 21 15.245 14.722 -0.109 1.00 0.00 C ATOM 1308 OD1 ASP B 21 15.473 15.271 0.991 1.00 0.00 O ATOM 1309 OD2 ASP B 21 15.817 15.048 -1.167 1.00 0.00 O ATOM 0 H ASP B 21 15.887 13.285 1.725 1.00 0.00 H new ATOM 0 HA ASP B 21 13.705 11.739 0.652 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.860 13.532 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP B 21 13.302 14.005 0.387 1.00 0.00 H new ATOM 1314 N GLY B 22 14.665 10.539 -1.222 1.00 0.00 N ATOM 1315 CA GLY B 22 15.218 9.736 -2.266 1.00 0.00 C ATOM 1316 C GLY B 22 14.183 9.310 -3.276 1.00 0.00 C ATOM 1317 O GLY B 22 13.655 10.128 -4.033 1.00 0.00 O ATOM 0 H GLY B 22 13.717 10.282 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.006 10.295 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.683 8.851 -1.832 1.00 0.00 H new ATOM 1321 N ALA B 23 13.882 8.029 -3.288 1.00 0.00 N ATOM 1322 CA ALA B 23 12.938 7.482 -4.226 1.00 0.00 C ATOM 1323 C ALA B 23 12.231 6.269 -3.667 1.00 0.00 C ATOM 1324 O ALA B 23 12.836 5.452 -2.977 1.00 0.00 O ATOM 1325 CB ALA B 23 13.664 7.097 -5.492 1.00 0.00 C ATOM 0 H ALA B 23 14.285 7.344 -2.649 1.00 0.00 H new ATOM 0 HA ALA B 23 12.186 8.244 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.954 6.682 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA B 23 14.138 7.979 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA B 23 14.425 6.352 -5.262 1.00 0.00 H new ATOM 1331 N LEU B 24 10.958 6.148 -3.981 1.00 0.00 N ATOM 1332 CA LEU B 24 10.184 5.015 -3.543 1.00 0.00 C ATOM 1333 C LEU B 24 9.795 4.230 -4.783 1.00 0.00 C ATOM 1334 O LEU B 24 8.970 4.673 -5.583 1.00 0.00 O ATOM 1335 CB LEU B 24 8.944 5.455 -2.770 1.00 0.00 C ATOM 1336 CG LEU B 24 8.497 4.492 -1.669 1.00 0.00 C ATOM 1337 CD1 LEU B 24 7.016 4.643 -1.390 1.00 0.00 C ATOM 1338 CD2 LEU B 24 8.830 3.055 -2.019 1.00 0.00 C ATOM 0 H LEU B 24 10.440 6.825 -4.540 1.00 0.00 H new ATOM 0 HA LEU B 24 10.772 4.398 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.139 6.430 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.122 5.586 -3.474 1.00 0.00 H new ATOM 0 HG LEU B 24 9.047 4.750 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.721 3.948 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.808 5.664 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.451 4.426 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.498 2.398 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.324 2.779 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.907 2.953 -2.150 1.00 0.00 H new ATOM 1350 N TYR B 25 10.421 3.090 -4.950 1.00 0.00 N ATOM 1351 CA TYR B 25 10.186 2.247 -6.103 1.00 0.00 C ATOM 1352 C TYR B 25 9.242 1.099 -5.800 1.00 0.00 C ATOM 1353 O TYR B 25 9.498 0.288 -4.910 1.00 0.00 O ATOM 1354 CB TYR B 25 11.509 1.669 -6.592 1.00 0.00 C ATOM 1355 CG TYR B 25 12.329 2.593 -7.450 1.00 0.00 C ATOM 1356 CD1 TYR B 25 13.063 3.624 -6.888 1.00 0.00 C ATOM 1357 CD2 TYR B 25 12.385 2.418 -8.825 1.00 0.00 C ATOM 1358 CE1 TYR B 25 13.831 4.457 -7.672 1.00 0.00 C ATOM 1359 CE2 TYR B 25 13.148 3.246 -9.617 1.00 0.00 C ATOM 1360 CZ TYR B 25 13.872 4.267 -9.035 1.00 0.00 C ATOM 1361 OH TYR B 25 14.638 5.100 -9.819 1.00 0.00 O ATOM 0 H TYR B 25 11.107 2.719 -4.293 1.00 0.00 H new ATOM 0 HA TYR B 25 9.725 2.873 -6.867 1.00 0.00 H new ATOM 0 HB2 TYR B 25 12.104 1.379 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR B 25 11.304 0.760 -7.157 1.00 0.00 H new ATOM 0 HD1 TYR B 25 13.033 3.777 -5.819 1.00 0.00 H new ATOM 0 HD2 TYR B 25 11.820 1.619 -9.282 1.00 0.00 H new ATOM 0 HE1 TYR B 25 14.399 5.256 -7.219 1.00 0.00 H new ATOM 0 HE2 TYR B 25 13.180 3.098 -10.686 1.00 0.00 H new ATOM 0 HH TYR B 25 14.558 4.830 -10.758 1.00 0.00 H new ATOM 1371 N LEU B 26 8.136 1.042 -6.523 1.00 0.00 N ATOM 1372 CA LEU B 26 7.216 -0.067 -6.372 1.00 0.00 C ATOM 1373 C LEU B 26 7.539 -1.043 -7.459 1.00 0.00 C ATOM 1374 O LEU B 26 7.195 -0.808 -8.619 1.00 0.00 O ATOM 1375 CB LEU B 26 5.750 0.324 -6.531 1.00 0.00 C ATOM 1376 CG LEU B 26 5.313 1.574 -5.809 1.00 0.00 C ATOM 1377 CD1 LEU B 26 3.851 1.852 -6.105 1.00 0.00 C ATOM 1378 CD2 LEU B 26 5.520 1.440 -4.315 1.00 0.00 C ATOM 0 H LEU B 26 7.858 1.742 -7.211 1.00 0.00 H new ATOM 0 HA LEU B 26 7.335 -0.465 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.543 0.452 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.134 -0.506 -6.183 1.00 0.00 H new ATOM 0 HG LEU B 26 5.922 2.406 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.539 2.756 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.717 1.990 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU B 26 3.245 1.011 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.197 2.355 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.936 0.599 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.576 1.269 -4.108 1.00 0.00 H new ATOM 1390 N MET B 27 8.224 -2.108 -7.121 1.00 0.00 N ATOM 1391 CA MET B 27 8.557 -3.081 -8.122 1.00 0.00 C ATOM 1392 C MET B 27 7.452 -4.094 -8.220 1.00 0.00 C ATOM 1393 O MET B 27 6.561 -4.118 -7.374 1.00 0.00 O ATOM 1394 CB MET B 27 9.902 -3.767 -7.852 1.00 0.00 C ATOM 1395 CG MET B 27 11.097 -3.074 -8.486 1.00 0.00 C ATOM 1396 SD MET B 27 11.264 -1.355 -7.978 1.00 0.00 S ATOM 1397 CE MET B 27 11.643 -1.552 -6.246 1.00 0.00 C ATOM 0 H MET B 27 8.555 -2.318 -6.179 1.00 0.00 H new ATOM 0 HA MET B 27 8.664 -2.559 -9.073 1.00 0.00 H new ATOM 0 HB2 MET B 27 10.058 -3.822 -6.775 1.00 0.00 H new ATOM 0 HB3 MET B 27 9.854 -4.792 -8.220 1.00 0.00 H new ATOM 0 HG2 MET B 27 12.006 -3.615 -8.222 1.00 0.00 H new ATOM 0 HG3 MET B 27 11.003 -3.119 -9.571 1.00 0.00 H new ATOM 0 HE1 MET B 27 12.341 -0.774 -5.935 1.00 0.00 H new ATOM 0 HE2 MET B 27 10.726 -1.472 -5.662 1.00 0.00 H new ATOM 0 HE3 MET B 27 12.094 -2.531 -6.081 1.00 0.00 H new ATOM 1407 N ALA B 28 7.567 -4.953 -9.218 1.00 0.00 N ATOM 1408 CA ALA B 28 6.561 -5.952 -9.522 1.00 0.00 C ATOM 1409 C ALA B 28 5.919 -6.569 -8.279 1.00 0.00 C ATOM 1410 O ALA B 28 4.698 -6.554 -8.123 1.00 0.00 O ATOM 1411 CB ALA B 28 7.157 -7.056 -10.375 1.00 0.00 C ATOM 0 H ALA B 28 8.371 -4.975 -9.846 1.00 0.00 H new ATOM 0 HA ALA B 28 5.774 -5.430 -10.066 1.00 0.00 H new ATOM 0 HB1 ALA B 28 6.391 -7.799 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.532 -6.633 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA B 28 7.977 -7.530 -9.836 1.00 0.00 H new ATOM 1417 N GLU B 29 6.754 -7.102 -7.403 1.00 0.00 N ATOM 1418 CA GLU B 29 6.295 -7.743 -6.182 1.00 0.00 C ATOM 1419 C GLU B 29 7.069 -7.254 -4.960 1.00 0.00 C ATOM 1420 O GLU B 29 6.946 -7.823 -3.871 1.00 0.00 O ATOM 1421 CB GLU B 29 6.459 -9.265 -6.302 1.00 0.00 C ATOM 1422 CG GLU B 29 7.562 -9.712 -7.268 1.00 0.00 C ATOM 1423 CD GLU B 29 8.922 -9.096 -6.976 1.00 0.00 C ATOM 1424 OE1 GLU B 29 9.173 -7.957 -7.428 1.00 0.00 O ATOM 1425 OE2 GLU B 29 9.750 -9.744 -6.308 1.00 0.00 O ATOM 0 H GLU B 29 7.768 -7.103 -7.518 1.00 0.00 H new ATOM 0 HA GLU B 29 5.245 -7.483 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.671 -9.674 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.512 -9.695 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.649 -10.798 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU B 29 7.268 -9.454 -8.285 1.00 0.00 H new ATOM 1432 N ARG B 30 7.831 -6.179 -5.109 1.00 0.00 N ATOM 1433 CA ARG B 30 8.634 -5.700 -3.995 1.00 0.00 C ATOM 1434 C ARG B 30 8.734 -4.182 -3.970 1.00 0.00 C ATOM 1435 O ARG B 30 9.028 -3.551 -4.977 1.00 0.00 O ATOM 1436 CB ARG B 30 10.037 -6.324 -4.057 1.00 0.00 C ATOM 1437 CG ARG B 30 10.781 -6.048 -5.360 1.00 0.00 C ATOM 1438 CD ARG B 30 11.783 -7.146 -5.688 1.00 0.00 C ATOM 1439 NE ARG B 30 12.550 -6.849 -6.905 1.00 0.00 N ATOM 1440 CZ ARG B 30 12.532 -7.605 -8.006 1.00 0.00 C ATOM 1441 NH1 ARG B 30 11.772 -8.690 -8.068 1.00 0.00 N ATOM 1442 NH2 ARG B 30 13.266 -7.261 -9.057 1.00 0.00 N ATOM 0 H ARG B 30 7.909 -5.634 -5.968 1.00 0.00 H new ATOM 0 HA ARG B 30 8.137 -6.006 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG B 30 10.630 -5.944 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG B 30 9.950 -7.402 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG B 30 10.063 -5.957 -6.175 1.00 0.00 H new ATOM 0 HG3 ARG B 30 11.301 -5.093 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG B 30 12.468 -7.273 -4.850 1.00 0.00 H new ATOM 0 HD3 ARG B 30 11.256 -8.092 -5.814 1.00 0.00 H new ATOM 0 HE ARG B 30 13.133 -6.012 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG B 30 11.194 -8.954 -7.270 1.00 0.00 H new ATOM 0 HH12 ARG B 30 11.766 -9.260 -8.914 1.00 0.00 H new ATOM 0 HH21 ARG B 30 13.843 -6.420 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG B 30 13.253 -7.837 -9.899 1.00 0.00 H new ATOM 1456 N ILE B 31 8.482 -3.602 -2.813 1.00 0.00 N ATOM 1457 CA ILE B 31 8.576 -2.165 -2.653 1.00 0.00 C ATOM 1458 C ILE B 31 9.941 -1.831 -2.066 1.00 0.00 C ATOM 1459 O ILE B 31 10.304 -2.314 -0.991 1.00 0.00 O ATOM 1460 CB ILE B 31 7.441 -1.596 -1.763 1.00 0.00 C ATOM 1461 CG1 ILE B 31 7.654 -0.103 -1.514 1.00 0.00 C ATOM 1462 CG2 ILE B 31 7.341 -2.351 -0.444 1.00 0.00 C ATOM 1463 CD1 ILE B 31 6.450 0.591 -0.914 1.00 0.00 C ATOM 0 H ILE B 31 8.210 -4.105 -1.969 1.00 0.00 H new ATOM 0 HA ILE B 31 8.461 -1.698 -3.631 1.00 0.00 H new ATOM 0 HB ILE B 31 6.499 -1.729 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE B 31 8.507 0.027 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE B 31 7.909 0.381 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.536 -1.928 0.157 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.132 -3.402 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE B 31 8.283 -2.264 0.098 1.00 0.00 H new ATOM 0 HD11 ILE B 31 6.675 1.647 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.600 0.493 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.207 0.134 0.045 1.00 0.00 H new ATOM 1475 N ALA B 32 10.716 -1.050 -2.789 1.00 0.00 N ATOM 1476 CA ALA B 32 12.044 -0.693 -2.334 1.00 0.00 C ATOM 1477 C ALA B 32 12.295 0.804 -2.448 1.00 0.00 C ATOM 1478 O ALA B 32 11.991 1.429 -3.459 1.00 0.00 O ATOM 1479 CB ALA B 32 13.083 -1.483 -3.106 1.00 0.00 C ATOM 0 H ALA B 32 10.451 -0.652 -3.690 1.00 0.00 H new ATOM 0 HA ALA B 32 12.123 -0.947 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA B 32 14.080 -1.210 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA B 32 12.923 -2.549 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA B 32 12.995 -1.259 -4.169 1.00 0.00 H new ATOM 1485 N TRP B 33 12.857 1.362 -1.395 1.00 0.00 N ATOM 1486 CA TRP B 33 13.154 2.780 -1.324 1.00 0.00 C ATOM 1487 C TRP B 33 14.659 3.006 -1.221 1.00 0.00 C ATOM 1488 O TRP B 33 15.372 2.205 -0.616 1.00 0.00 O ATOM 1489 CB TRP B 33 12.442 3.355 -0.090 1.00 0.00 C ATOM 1490 CG TRP B 33 12.682 4.818 0.182 1.00 0.00 C ATOM 1491 CD1 TRP B 33 11.798 5.841 0.006 1.00 0.00 C ATOM 1492 CD2 TRP B 33 13.878 5.416 0.700 1.00 0.00 C ATOM 1493 NE1 TRP B 33 12.376 7.031 0.380 1.00 0.00 N ATOM 1494 CE2 TRP B 33 13.649 6.793 0.806 1.00 0.00 C ATOM 1495 CE3 TRP B 33 15.118 4.916 1.078 1.00 0.00 C ATOM 1496 CZ2 TRP B 33 14.613 7.676 1.279 1.00 0.00 C ATOM 1497 CZ3 TRP B 33 16.080 5.782 1.537 1.00 0.00 C ATOM 1498 CH2 TRP B 33 15.823 7.159 1.639 1.00 0.00 C ATOM 0 H TRP B 33 13.123 0.842 -0.559 1.00 0.00 H new ATOM 0 HA TRP B 33 12.804 3.280 -2.227 1.00 0.00 H new ATOM 0 HB2 TRP B 33 11.370 3.197 -0.206 1.00 0.00 H new ATOM 0 HB3 TRP B 33 12.755 2.786 0.785 1.00 0.00 H new ATOM 0 HD1 TRP B 33 10.792 5.732 -0.372 1.00 0.00 H new ATOM 0 HE1 TRP B 33 11.925 7.945 0.344 1.00 0.00 H new ATOM 0 HE3 TRP B 33 15.323 3.858 1.012 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 14.411 8.734 1.359 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 17.048 5.399 1.824 1.00 0.00 H new ATOM 0 HH2 TRP B 33 16.595 7.818 2.008 1.00 0.00 H new ATOM 1509 N ALA B 34 15.129 4.099 -1.809 1.00 0.00 N ATOM 1510 CA ALA B 34 16.536 4.480 -1.749 1.00 0.00 C ATOM 1511 C ALA B 34 16.637 5.999 -1.722 1.00 0.00 C ATOM 1512 O ALA B 34 15.754 6.668 -2.233 1.00 0.00 O ATOM 1513 CB ALA B 34 17.303 3.928 -2.917 1.00 0.00 C ATOM 0 H ALA B 34 14.547 4.746 -2.341 1.00 0.00 H new ATOM 0 HA ALA B 34 16.975 4.062 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA B 34 18.348 4.230 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA B 34 17.239 2.840 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA B 34 16.880 4.313 -3.845 1.00 0.00 H new ATOM 1519 N PRO B 35 17.683 6.574 -1.112 1.00 0.00 N ATOM 1520 CA PRO B 35 17.834 8.031 -1.043 1.00 0.00 C ATOM 1521 C PRO B 35 18.219 8.637 -2.393 1.00 0.00 C ATOM 1522 O PRO B 35 18.542 7.917 -3.340 1.00 0.00 O ATOM 1523 CB PRO B 35 18.951 8.226 -0.018 1.00 0.00 C ATOM 1524 CG PRO B 35 19.741 6.960 -0.059 1.00 0.00 C ATOM 1525 CD PRO B 35 18.782 5.864 -0.438 1.00 0.00 C ATOM 0 HA PRO B 35 16.903 8.528 -0.769 1.00 0.00 H new ATOM 0 HB2 PRO B 35 19.571 9.086 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO B 35 18.546 8.406 0.978 1.00 0.00 H new ATOM 0 HG2 PRO B 35 20.552 7.033 -0.784 1.00 0.00 H new ATOM 0 HG3 PRO B 35 20.197 6.757 0.910 1.00 0.00 H new ATOM 0 HD2 PRO B 35 19.250 5.134 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO B 35 18.429 5.321 0.439 1.00 0.00 H new ATOM 1533 N GLU B 36 18.168 9.964 -2.476 1.00 0.00 N ATOM 1534 CA GLU B 36 18.486 10.675 -3.707 1.00 0.00 C ATOM 1535 C GLU B 36 19.883 10.332 -4.225 1.00 0.00 C ATOM 1536 O GLU B 36 20.851 10.240 -3.460 1.00 0.00 O ATOM 1537 CB GLU B 36 18.357 12.186 -3.492 1.00 0.00 C ATOM 1538 CG GLU B 36 17.920 12.948 -4.736 1.00 0.00 C ATOM 1539 CD GLU B 36 16.659 12.379 -5.359 1.00 0.00 C ATOM 1540 OE1 GLU B 36 16.763 11.383 -6.108 1.00 0.00 O ATOM 1541 OE2 GLU B 36 15.560 12.928 -5.111 1.00 0.00 O ATOM 0 H GLU B 36 17.907 10.570 -1.698 1.00 0.00 H new ATOM 0 HA GLU B 36 17.770 10.354 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU B 36 17.638 12.370 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU B 36 19.316 12.579 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU B 36 17.752 13.993 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU B 36 18.725 12.927 -5.471 1.00 0.00 H new ATOM 1548 N GLY B 37 19.963 10.117 -5.532 1.00 0.00 N ATOM 1549 CA GLY B 37 21.223 9.800 -6.177 1.00 0.00 C ATOM 1550 C GLY B 37 21.720 8.401 -5.869 1.00 0.00 C ATOM 1551 O GLY B 37 22.911 8.207 -5.622 1.00 0.00 O ATOM 0 H GLY B 37 19.164 10.158 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.108 9.908 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY B 37 21.976 10.523 -5.863 1.00 0.00 H new ATOM 1555 N LYS B 38 20.812 7.430 -5.856 1.00 0.00 N ATOM 1556 CA LYS B 38 21.172 6.042 -5.587 1.00 0.00 C ATOM 1557 C LYS B 38 20.421 5.118 -6.537 1.00 0.00 C ATOM 1558 O LYS B 38 19.219 5.283 -6.743 1.00 0.00 O ATOM 1559 CB LYS B 38 20.842 5.654 -4.138 1.00 0.00 C ATOM 1560 CG LYS B 38 21.417 6.595 -3.092 1.00 0.00 C ATOM 1561 CD LYS B 38 22.923 6.450 -2.960 1.00 0.00 C ATOM 1562 CE LYS B 38 23.532 7.647 -2.248 1.00 0.00 C ATOM 1563 NZ LYS B 38 23.250 8.920 -2.968 1.00 0.00 N ATOM 0 H LYS B 38 19.818 7.580 -6.029 1.00 0.00 H new ATOM 0 HA LYS B 38 22.246 5.938 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS B 38 19.759 5.618 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS B 38 21.216 4.648 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS B 38 21.174 7.624 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS B 38 20.948 6.395 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS B 38 23.156 5.539 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS B 38 23.369 6.347 -3.949 1.00 0.00 H new ATOM 0 HE2 LYS B 38 23.136 7.707 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS B 38 24.610 7.509 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 23.933 9.646 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 23.333 8.765 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 22.286 9.240 -2.743 1.00 0.00 H new ATOM 1577 N ASP B 39 21.136 4.170 -7.129 1.00 0.00 N ATOM 1578 CA ASP B 39 20.525 3.210 -8.043 1.00 0.00 C ATOM 1579 C ASP B 39 19.955 2.037 -7.257 1.00 0.00 C ATOM 1580 O ASP B 39 18.808 1.636 -7.451 1.00 0.00 O ATOM 1581 CB ASP B 39 21.547 2.712 -9.078 1.00 0.00 C ATOM 1582 CG ASP B 39 21.351 1.249 -9.446 1.00 0.00 C ATOM 1583 OD1 ASP B 39 20.487 0.948 -10.294 1.00 0.00 O ATOM 1584 OD2 ASP B 39 22.054 0.394 -8.867 1.00 0.00 O ATOM 0 H ASP B 39 22.139 4.044 -6.994 1.00 0.00 H new ATOM 0 HA ASP B 39 19.716 3.708 -8.578 1.00 0.00 H new ATOM 0 HB2 ASP B 39 21.471 3.321 -9.979 1.00 0.00 H new ATOM 0 HB3 ASP B 39 22.554 2.851 -8.683 1.00 0.00 H new ATOM 1589 N ARG B 40 20.762 1.501 -6.354 1.00 0.00 N ATOM 1590 CA ARG B 40 20.336 0.382 -5.537 1.00 0.00 C ATOM 1591 C ARG B 40 19.569 0.884 -4.326 1.00 0.00 C ATOM 1592 O ARG B 40 19.963 1.856 -3.679 1.00 0.00 O ATOM 1593 CB ARG B 40 21.523 -0.485 -5.111 1.00 0.00 C ATOM 1594 CG ARG B 40 22.008 -1.442 -6.197 1.00 0.00 C ATOM 1595 CD ARG B 40 20.858 -2.208 -6.847 1.00 0.00 C ATOM 1596 NE ARG B 40 20.406 -1.566 -8.082 1.00 0.00 N ATOM 1597 CZ ARG B 40 19.353 -1.958 -8.808 1.00 0.00 C ATOM 1598 NH1 ARG B 40 18.640 -3.029 -8.456 1.00 0.00 N ATOM 1599 NH2 ARG B 40 19.019 -1.275 -9.894 1.00 0.00 N ATOM 0 H ARG B 40 21.712 1.824 -6.171 1.00 0.00 H new ATOM 0 HA ARG B 40 19.676 -0.245 -6.136 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.348 0.164 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.242 -1.062 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG B 40 22.545 -0.880 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.716 -2.150 -5.765 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.177 -3.228 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG B 40 20.025 -2.276 -6.147 1.00 0.00 H new ATOM 0 HE ARG B 40 20.934 -0.759 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.895 -3.561 -7.624 1.00 0.00 H new ATOM 0 HH12 ARG B 40 17.839 -3.316 -9.019 1.00 0.00 H new ATOM 0 HH21 ARG B 40 19.563 -0.458 -10.170 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.218 -1.567 -10.454 1.00 0.00 H new ATOM 1613 N PHE B 41 18.471 0.211 -4.042 1.00 0.00 N ATOM 1614 CA PHE B 41 17.593 0.565 -2.944 1.00 0.00 C ATOM 1615 C PHE B 41 18.227 0.285 -1.586 1.00 0.00 C ATOM 1616 O PHE B 41 19.114 -0.557 -1.455 1.00 0.00 O ATOM 1617 CB PHE B 41 16.282 -0.201 -3.091 1.00 0.00 C ATOM 1618 CG PHE B 41 15.873 -0.382 -4.526 1.00 0.00 C ATOM 1619 CD1 PHE B 41 15.359 0.679 -5.254 1.00 0.00 C ATOM 1620 CD2 PHE B 41 16.015 -1.612 -5.152 1.00 0.00 C ATOM 1621 CE1 PHE B 41 14.993 0.518 -6.575 1.00 0.00 C ATOM 1622 CE2 PHE B 41 15.651 -1.778 -6.474 1.00 0.00 C ATOM 1623 CZ PHE B 41 15.139 -0.713 -7.187 1.00 0.00 C ATOM 0 H PHE B 41 18.161 -0.604 -4.571 1.00 0.00 H new ATOM 0 HA PHE B 41 17.406 1.638 -2.987 1.00 0.00 H new ATOM 0 HB2 PHE B 41 16.383 -1.179 -2.620 1.00 0.00 H new ATOM 0 HB3 PHE B 41 15.494 0.330 -2.557 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.243 1.644 -4.782 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.415 -2.449 -4.599 1.00 0.00 H new ATOM 0 HE1 PHE B 41 14.593 1.353 -7.130 1.00 0.00 H new ATOM 0 HE2 PHE B 41 15.767 -2.741 -6.950 1.00 0.00 H new ATOM 0 HZ PHE B 41 14.853 -0.841 -8.221 1.00 0.00 H new ATOM 1633 N THR B 42 17.749 1.005 -0.588 1.00 0.00 N ATOM 1634 CA THR B 42 18.230 0.880 0.775 1.00 0.00 C ATOM 1635 C THR B 42 17.251 0.055 1.611 1.00 0.00 C ATOM 1636 O THR B 42 17.648 -0.810 2.391 1.00 0.00 O ATOM 1637 CB THR B 42 18.406 2.281 1.394 1.00 0.00 C ATOM 1638 OG1 THR B 42 19.440 2.987 0.697 1.00 0.00 O ATOM 1639 CG2 THR B 42 18.742 2.210 2.875 1.00 0.00 C ATOM 0 H THR B 42 17.010 1.699 -0.702 1.00 0.00 H new ATOM 0 HA THR B 42 19.193 0.369 0.765 1.00 0.00 H new ATOM 0 HB THR B 42 17.458 2.810 1.295 1.00 0.00 H new ATOM 0 HG1 THR B 42 19.772 3.719 1.258 1.00 0.00 H new ATOM 0 HG21 THR B 42 18.857 3.219 3.271 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.938 1.701 3.407 1.00 0.00 H new ATOM 0 HG23 THR B 42 19.672 1.658 3.011 1.00 0.00 H new ATOM 1647 N ILE B 43 15.968 0.322 1.426 1.00 0.00 N ATOM 1648 CA ILE B 43 14.920 -0.378 2.150 1.00 0.00 C ATOM 1649 C ILE B 43 14.094 -1.212 1.177 1.00 0.00 C ATOM 1650 O ILE B 43 13.574 -0.687 0.197 1.00 0.00 O ATOM 1651 CB ILE B 43 14.022 0.630 2.910 1.00 0.00 C ATOM 1652 CG1 ILE B 43 14.578 0.870 4.315 1.00 0.00 C ATOM 1653 CG2 ILE B 43 12.573 0.157 2.981 1.00 0.00 C ATOM 1654 CD1 ILE B 43 13.994 2.089 4.997 1.00 0.00 C ATOM 0 H ILE B 43 15.625 1.027 0.773 1.00 0.00 H new ATOM 0 HA ILE B 43 15.375 -1.043 2.884 1.00 0.00 H new ATOM 0 HB ILE B 43 14.030 1.569 2.356 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.382 -0.009 4.929 1.00 0.00 H new ATOM 0 HG13 ILE B 43 15.661 0.981 4.254 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.976 0.892 3.522 1.00 0.00 H new ATOM 0 HG22 ILE B 43 12.178 0.041 1.972 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.528 -0.800 3.500 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.434 2.197 5.988 1.00 0.00 H new ATOM 0 HD12 ILE B 43 14.213 2.977 4.404 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.914 1.972 5.090 1.00 0.00 H new ATOM 1666 N SER B 44 14.013 -2.512 1.419 1.00 0.00 N ATOM 1667 CA SER B 44 13.256 -3.398 0.547 1.00 0.00 C ATOM 1668 C SER B 44 12.256 -4.244 1.334 1.00 0.00 C ATOM 1669 O SER B 44 12.612 -4.889 2.322 1.00 0.00 O ATOM 1670 CB SER B 44 14.214 -4.301 -0.232 1.00 0.00 C ATOM 1671 OG SER B 44 15.218 -3.535 -0.875 1.00 0.00 O ATOM 0 H SER B 44 14.461 -2.976 2.209 1.00 0.00 H new ATOM 0 HA SER B 44 12.689 -2.781 -0.150 1.00 0.00 H new ATOM 0 HB2 SER B 44 14.676 -5.019 0.446 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.658 -4.875 -0.973 1.00 0.00 H new ATOM 0 HG SER B 44 15.821 -4.132 -1.366 1.00 0.00 H new ATOM 1677 N HIS B 45 11.007 -4.232 0.890 1.00 0.00 N ATOM 1678 CA HIS B 45 9.945 -5.001 1.517 1.00 0.00 C ATOM 1679 C HIS B 45 9.121 -5.664 0.434 1.00 0.00 C ATOM 1680 O HIS B 45 8.738 -5.028 -0.540 1.00 0.00 O ATOM 1681 CB HIS B 45 9.022 -4.119 2.374 1.00 0.00 C ATOM 1682 CG HIS B 45 9.710 -3.339 3.453 1.00 0.00 C ATOM 1683 ND1 HIS B 45 10.415 -3.903 4.495 1.00 0.00 N ATOM 1684 CD2 HIS B 45 9.775 -1.999 3.643 1.00 0.00 C ATOM 1685 CE1 HIS B 45 10.873 -2.909 5.268 1.00 0.00 C ATOM 1686 NE2 HIS B 45 10.513 -1.734 4.791 1.00 0.00 N ATOM 0 H HIS B 45 10.703 -3.687 0.083 1.00 0.00 H new ATOM 0 HA HIS B 45 10.405 -5.740 2.173 1.00 0.00 H new ATOM 0 HB2 HIS B 45 8.501 -3.421 1.719 1.00 0.00 H new ATOM 0 HB3 HIS B 45 8.263 -4.753 2.833 1.00 0.00 H new ATOM 0 HD1 HIS B 45 10.562 -4.900 4.650 1.00 0.00 H new ATOM 0 HD2 HIS B 45 9.325 -1.254 3.004 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.460 -3.052 6.164 1.00 0.00 H new ATOM 1694 N MET B 46 8.872 -6.941 0.580 1.00 0.00 N ATOM 1695 CA MET B 46 8.076 -7.649 -0.397 1.00 0.00 C ATOM 1696 C MET B 46 6.611 -7.536 -0.012 1.00 0.00 C ATOM 1697 O MET B 46 6.271 -7.678 1.161 1.00 0.00 O ATOM 1698 CB MET B 46 8.512 -9.106 -0.480 1.00 0.00 C ATOM 1699 CG MET B 46 9.766 -9.313 -1.315 1.00 0.00 C ATOM 1700 SD MET B 46 9.875 -10.971 -2.005 1.00 0.00 S ATOM 1701 CE MET B 46 8.667 -10.858 -3.323 1.00 0.00 C ATOM 0 H MET B 46 9.205 -7.510 1.358 1.00 0.00 H new ATOM 0 HA MET B 46 8.220 -7.207 -1.383 1.00 0.00 H new ATOM 0 HB2 MET B 46 8.689 -9.483 0.527 1.00 0.00 H new ATOM 0 HB3 MET B 46 7.700 -9.697 -0.904 1.00 0.00 H new ATOM 0 HG2 MET B 46 9.782 -8.585 -2.126 1.00 0.00 H new ATOM 0 HG3 MET B 46 10.644 -9.122 -0.698 1.00 0.00 H new ATOM 0 HE1 MET B 46 8.797 -11.695 -4.009 1.00 0.00 H new ATOM 0 HE2 MET B 46 7.663 -10.889 -2.900 1.00 0.00 H new ATOM 0 HE3 MET B 46 8.805 -9.921 -3.863 1.00 0.00 H new ATOM 1711 N TYR B 47 5.752 -7.275 -0.997 1.00 0.00 N ATOM 1712 CA TYR B 47 4.309 -7.118 -0.754 1.00 0.00 C ATOM 1713 C TYR B 47 3.728 -8.347 -0.056 1.00 0.00 C ATOM 1714 O TYR B 47 2.663 -8.291 0.548 1.00 0.00 O ATOM 1715 CB TYR B 47 3.548 -6.897 -2.067 1.00 0.00 C ATOM 1716 CG TYR B 47 4.065 -5.763 -2.925 1.00 0.00 C ATOM 1717 CD1 TYR B 47 4.690 -4.657 -2.367 1.00 0.00 C ATOM 1718 CD2 TYR B 47 3.920 -5.805 -4.305 1.00 0.00 C ATOM 1719 CE1 TYR B 47 5.156 -3.629 -3.161 1.00 0.00 C ATOM 1720 CE2 TYR B 47 4.384 -4.782 -5.104 1.00 0.00 C ATOM 1721 CZ TYR B 47 5.002 -3.697 -4.528 1.00 0.00 C ATOM 1722 OH TYR B 47 5.470 -2.678 -5.320 1.00 0.00 O ATOM 0 H TYR B 47 6.026 -7.167 -1.974 1.00 0.00 H new ATOM 0 HA TYR B 47 4.191 -6.245 -0.112 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.584 -7.818 -2.649 1.00 0.00 H new ATOM 0 HB3 TYR B 47 2.500 -6.707 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR B 47 4.814 -4.600 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR B 47 3.435 -6.655 -4.761 1.00 0.00 H new ATOM 0 HE1 TYR B 47 5.640 -2.774 -2.712 1.00 0.00 H new ATOM 0 HE2 TYR B 47 4.263 -4.832 -6.176 1.00 0.00 H new ATOM 0 HH TYR B 47 5.799 -3.046 -6.166 1.00 0.00 H new ATOM 1732 N ALA B 48 4.449 -9.447 -0.163 1.00 0.00 N ATOM 1733 CA ALA B 48 4.049 -10.713 0.426 1.00 0.00 C ATOM 1734 C ALA B 48 4.010 -10.668 1.951 1.00 0.00 C ATOM 1735 O ALA B 48 3.181 -11.339 2.568 1.00 0.00 O ATOM 1736 CB ALA B 48 4.988 -11.811 -0.041 1.00 0.00 C ATOM 0 H ALA B 48 5.336 -9.488 -0.665 1.00 0.00 H new ATOM 0 HA ALA B 48 3.033 -10.921 0.091 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.687 -12.760 0.402 1.00 0.00 H new ATOM 0 HB2 ALA B 48 4.946 -11.888 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA B 48 6.006 -11.574 0.267 1.00 0.00 H new ATOM 1742 N ASP B 49 4.896 -9.886 2.558 1.00 0.00 N ATOM 1743 CA ASP B 49 4.939 -9.796 4.014 1.00 0.00 C ATOM 1744 C ASP B 49 4.193 -8.573 4.512 1.00 0.00 C ATOM 1745 O ASP B 49 3.906 -8.461 5.693 1.00 0.00 O ATOM 1746 CB ASP B 49 6.383 -9.762 4.526 1.00 0.00 C ATOM 1747 CG ASP B 49 6.463 -9.899 6.042 1.00 0.00 C ATOM 1748 OD1 ASP B 49 6.446 -11.043 6.540 1.00 0.00 O ATOM 1749 OD2 ASP B 49 6.533 -8.865 6.741 1.00 0.00 O ATOM 0 H ASP B 49 5.586 -9.312 2.073 1.00 0.00 H new ATOM 0 HA ASP B 49 4.449 -10.688 4.404 1.00 0.00 H new ATOM 0 HB2 ASP B 49 6.950 -10.568 4.060 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.852 -8.826 4.223 1.00 0.00 H new ATOM 1754 N ILE B 50 3.859 -7.659 3.621 1.00 0.00 N ATOM 1755 CA ILE B 50 3.159 -6.458 4.039 1.00 0.00 C ATOM 1756 C ILE B 50 1.719 -6.781 4.427 1.00 0.00 C ATOM 1757 O ILE B 50 0.911 -7.192 3.597 1.00 0.00 O ATOM 1758 CB ILE B 50 3.192 -5.350 2.973 1.00 0.00 C ATOM 1759 CG1 ILE B 50 4.548 -5.327 2.266 1.00 0.00 C ATOM 1760 CG2 ILE B 50 2.930 -4.008 3.628 1.00 0.00 C ATOM 1761 CD1 ILE B 50 4.691 -4.203 1.264 1.00 0.00 C ATOM 0 H ILE B 50 4.056 -7.721 2.622 1.00 0.00 H new ATOM 0 HA ILE B 50 3.688 -6.075 4.912 1.00 0.00 H new ATOM 0 HB ILE B 50 2.418 -5.551 2.232 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.336 -5.238 3.014 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.698 -6.278 1.756 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.954 -3.223 2.872 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.951 -4.022 4.106 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.697 -3.813 4.377 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.677 -4.250 0.803 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.925 -4.302 0.495 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.573 -3.246 1.772 1.00 0.00 H new ATOM 1773 N LYS B 51 1.428 -6.592 5.704 1.00 0.00 N ATOM 1774 CA LYS B 51 0.115 -6.866 6.271 1.00 0.00 C ATOM 1775 C LYS B 51 -0.896 -5.808 5.859 1.00 0.00 C ATOM 1776 O LYS B 51 -1.958 -6.119 5.323 1.00 0.00 O ATOM 1777 CB LYS B 51 0.242 -6.924 7.798 1.00 0.00 C ATOM 1778 CG LYS B 51 -1.047 -6.666 8.558 1.00 0.00 C ATOM 1779 CD LYS B 51 -0.758 -6.387 10.023 1.00 0.00 C ATOM 1780 CE LYS B 51 -0.558 -7.675 10.805 1.00 0.00 C ATOM 1781 NZ LYS B 51 -1.845 -8.264 11.251 1.00 0.00 N ATOM 0 H LYS B 51 2.102 -6.241 6.384 1.00 0.00 H new ATOM 0 HA LYS B 51 -0.246 -7.822 5.892 1.00 0.00 H new ATOM 0 HB2 LYS B 51 0.622 -7.906 8.079 1.00 0.00 H new ATOM 0 HB3 LYS B 51 0.985 -6.192 8.114 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -1.572 -5.818 8.117 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -1.706 -7.529 8.470 1.00 0.00 H new ATOM 0 HD2 LYS B 51 0.134 -5.766 10.107 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.582 -5.821 10.456 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -0.026 -8.396 10.185 1.00 0.00 H new ATOM 0 HE3 LYS B 51 0.070 -7.477 11.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -1.661 -9.140 11.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -2.342 -7.587 11.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -2.435 -8.478 10.422 1.00 0.00 H new ATOM 1795 N CYS B 52 -0.560 -4.559 6.122 1.00 0.00 N ATOM 1796 CA CYS B 52 -1.430 -3.447 5.787 1.00 0.00 C ATOM 1797 C CYS B 52 -0.592 -2.202 5.595 1.00 0.00 C ATOM 1798 O CYS B 52 0.637 -2.256 5.653 1.00 0.00 O ATOM 1799 CB CYS B 52 -2.480 -3.230 6.884 1.00 0.00 C ATOM 1800 SG CYS B 52 -1.797 -3.050 8.548 1.00 0.00 S ATOM 0 H CYS B 52 0.315 -4.288 6.570 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.960 -3.671 4.861 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -3.059 -2.338 6.644 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -3.173 -4.071 6.878 1.00 0.00 H new ATOM 0 HG CYS B 52 -1.774 -1.792 8.874 1.00 0.00 H new ATOM 1806 N GLN B 53 -1.238 -1.087 5.353 1.00 0.00 N ATOM 1807 CA GLN B 53 -0.528 0.155 5.158 1.00 0.00 C ATOM 1808 C GLN B 53 -1.186 1.252 5.966 1.00 0.00 C ATOM 1809 O GLN B 53 -2.163 1.015 6.661 1.00 0.00 O ATOM 1810 CB GLN B 53 -0.509 0.556 3.679 1.00 0.00 C ATOM 1811 CG GLN B 53 -0.380 -0.609 2.715 1.00 0.00 C ATOM 1812 CD GLN B 53 -1.435 -0.565 1.630 1.00 0.00 C ATOM 1813 OE1 GLN B 53 -1.246 0.063 0.594 1.00 0.00 O ATOM 1814 NE2 GLN B 53 -2.561 -1.228 1.864 1.00 0.00 N ATOM 0 H GLN B 53 -2.253 -1.014 5.286 1.00 0.00 H new ATOM 0 HA GLN B 53 0.500 0.013 5.491 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.425 1.101 3.451 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.320 1.243 3.512 1.00 0.00 H new ATOM 0 HG2 GLN B 53 0.610 -0.595 2.259 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.464 -1.546 3.265 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.680 -1.739 2.739 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.307 -1.227 1.169 1.00 0.00 H new ATOM 1823 N LYS B 54 -0.616 2.431 5.901 1.00 0.00 N ATOM 1824 CA LYS B 54 -1.153 3.596 6.565 1.00 0.00 C ATOM 1825 C LYS B 54 -0.798 4.810 5.731 1.00 0.00 C ATOM 1826 O LYS B 54 0.207 4.793 5.032 1.00 0.00 O ATOM 1827 CB LYS B 54 -0.617 3.723 7.986 1.00 0.00 C ATOM 1828 CG LYS B 54 -1.447 2.964 9.004 1.00 0.00 C ATOM 1829 CD LYS B 54 -1.232 3.493 10.407 1.00 0.00 C ATOM 1830 CE LYS B 54 -1.662 2.475 11.444 1.00 0.00 C ATOM 1831 NZ LYS B 54 -0.981 1.168 11.248 1.00 0.00 N ATOM 0 H LYS B 54 0.242 2.611 5.381 1.00 0.00 H new ATOM 0 HA LYS B 54 -2.236 3.508 6.653 1.00 0.00 H new ATOM 0 HB2 LYS B 54 0.409 3.355 8.015 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -0.586 4.777 8.264 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -2.503 3.041 8.744 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -1.187 1.906 8.970 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -0.180 3.740 10.549 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -1.797 4.415 10.542 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -1.440 2.855 12.441 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -2.742 2.334 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -1.081 0.592 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -1.413 0.669 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 0.028 1.328 11.054 1.00 0.00 H new ATOM 1845 N ILE B 55 -1.621 5.841 5.759 1.00 0.00 N ATOM 1846 CA ILE B 55 -1.351 7.026 4.951 1.00 0.00 C ATOM 1847 C ILE B 55 -1.783 8.307 5.622 1.00 0.00 C ATOM 1848 O ILE B 55 -2.800 8.340 6.294 1.00 0.00 O ATOM 1849 CB ILE B 55 -2.113 6.970 3.615 1.00 0.00 C ATOM 1850 CG1 ILE B 55 -3.612 6.815 3.867 1.00 0.00 C ATOM 1851 CG2 ILE B 55 -1.607 5.839 2.759 1.00 0.00 C ATOM 1852 CD1 ILE B 55 -4.455 7.020 2.636 1.00 0.00 C ATOM 0 H ILE B 55 -2.471 5.888 6.321 1.00 0.00 H new ATOM 0 HA ILE B 55 -0.271 7.026 4.806 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.941 7.905 3.082 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.804 5.819 4.267 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.919 7.529 4.631 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.160 5.818 1.820 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.547 5.985 2.553 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.748 4.894 3.284 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -5.507 6.895 2.891 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.293 8.025 2.247 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.176 6.289 1.878 1.00 0.00 H new ATOM 1864 N SER B 56 -1.001 9.352 5.445 1.00 0.00 N ATOM 1865 CA SER B 56 -1.369 10.654 5.953 1.00 0.00 C ATOM 1866 C SER B 56 -2.290 11.261 4.907 1.00 0.00 C ATOM 1867 O SER B 56 -1.830 11.703 3.857 1.00 0.00 O ATOM 1868 CB SER B 56 -0.132 11.516 6.196 1.00 0.00 C ATOM 1869 OG SER B 56 0.576 11.061 7.336 1.00 0.00 O ATOM 0 H SER B 56 -0.108 9.324 4.953 1.00 0.00 H new ATOM 0 HA SER B 56 -1.872 10.585 6.918 1.00 0.00 H new ATOM 0 HB2 SER B 56 0.518 11.485 5.321 1.00 0.00 H new ATOM 0 HB3 SER B 56 -0.428 12.556 6.336 1.00 0.00 H new ATOM 0 HG SER B 56 0.883 10.143 7.185 1.00 0.00 H new ATOM 1875 N PRO B 57 -3.603 11.260 5.181 1.00 0.00 N ATOM 1876 CA PRO B 57 -4.631 11.710 4.239 1.00 0.00 C ATOM 1877 C PRO B 57 -4.642 13.227 4.015 1.00 0.00 C ATOM 1878 O PRO B 57 -3.712 13.931 4.412 1.00 0.00 O ATOM 1879 CB PRO B 57 -5.937 11.226 4.882 1.00 0.00 C ATOM 1880 CG PRO B 57 -5.511 10.324 5.980 1.00 0.00 C ATOM 1881 CD PRO B 57 -4.207 10.857 6.449 1.00 0.00 C ATOM 0 HA PRO B 57 -4.460 11.310 3.240 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -6.523 12.062 5.263 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.562 10.701 4.160 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -6.244 10.315 6.787 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -5.411 9.297 5.628 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -4.326 11.696 7.135 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -3.615 10.103 6.967 1.00 0.00 H new ATOM 1889 N GLU B 58 -5.706 13.723 3.386 1.00 0.00 N ATOM 1890 CA GLU B 58 -5.849 15.153 3.072 1.00 0.00 C ATOM 1891 C GLU B 58 -5.850 16.037 4.315 1.00 0.00 C ATOM 1892 O GLU B 58 -5.575 17.232 4.231 1.00 0.00 O ATOM 1893 CB GLU B 58 -7.126 15.393 2.263 1.00 0.00 C ATOM 1894 CG GLU B 58 -6.951 15.141 0.773 1.00 0.00 C ATOM 1895 CD GLU B 58 -6.103 13.920 0.495 1.00 0.00 C ATOM 1896 OE1 GLU B 58 -6.597 12.796 0.702 1.00 0.00 O ATOM 1897 OE2 GLU B 58 -4.927 14.084 0.111 1.00 0.00 O ATOM 0 H GLU B 58 -6.493 13.152 3.079 1.00 0.00 H new ATOM 0 HA GLU B 58 -4.977 15.432 2.481 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -7.916 14.745 2.644 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -7.456 16.421 2.414 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.930 15.014 0.310 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.490 16.014 0.310 1.00 0.00 H new ATOM 1904 N GLY B 59 -6.153 15.460 5.468 1.00 0.00 N ATOM 1905 CA GLY B 59 -6.157 16.233 6.695 1.00 0.00 C ATOM 1906 C GLY B 59 -4.768 16.321 7.297 1.00 0.00 C ATOM 1907 O GLY B 59 -4.609 16.517 8.501 1.00 0.00 O ATOM 0 H GLY B 59 -6.395 14.475 5.577 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -6.532 17.236 6.494 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -6.838 15.776 7.413 1.00 0.00 H new ATOM 1911 N LYS B 60 -3.762 16.178 6.448 1.00 0.00 N ATOM 1912 CA LYS B 60 -2.374 16.212 6.874 1.00 0.00 C ATOM 1913 C LYS B 60 -1.566 17.173 6.020 1.00 0.00 C ATOM 1914 O LYS B 60 -1.924 17.453 4.879 1.00 0.00 O ATOM 1915 CB LYS B 60 -1.766 14.821 6.746 1.00 0.00 C ATOM 1916 CG LYS B 60 -2.443 13.785 7.615 1.00 0.00 C ATOM 1917 CD LYS B 60 -1.679 13.574 8.901 1.00 0.00 C ATOM 1918 CE LYS B 60 -1.893 14.710 9.889 1.00 0.00 C ATOM 1919 NZ LYS B 60 -3.328 14.915 10.230 1.00 0.00 N ATOM 0 H LYS B 60 -3.886 16.035 5.446 1.00 0.00 H new ATOM 0 HA LYS B 60 -2.347 16.547 7.911 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -1.822 14.503 5.705 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -0.709 14.869 7.008 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -3.461 14.103 7.841 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -2.517 12.842 7.073 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -1.991 12.634 9.357 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -0.616 13.483 8.679 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -1.334 14.502 10.801 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.489 15.631 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.423 15.072 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -3.692 15.744 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.873 14.073 9.957 1.00 0.00 H new ATOM 1933 N ALA B 61 -0.476 17.671 6.578 1.00 0.00 N ATOM 1934 CA ALA B 61 0.403 18.568 5.852 1.00 0.00 C ATOM 1935 C ALA B 61 1.549 17.771 5.261 1.00 0.00 C ATOM 1936 O ALA B 61 2.055 18.078 4.183 1.00 0.00 O ATOM 1937 CB ALA B 61 0.932 19.654 6.762 1.00 0.00 C ATOM 0 H ALA B 61 -0.179 17.468 7.533 1.00 0.00 H new ATOM 0 HA ALA B 61 -0.159 19.047 5.051 1.00 0.00 H new ATOM 0 HB1 ALA B 61 1.589 20.315 6.196 1.00 0.00 H new ATOM 0 HB2 ALA B 61 0.098 20.229 7.165 1.00 0.00 H new ATOM 0 HB3 ALA B 61 1.491 19.202 7.582 1.00 0.00 H new ATOM 1943 N LYS B 62 1.957 16.744 5.991 1.00 0.00 N ATOM 1944 CA LYS B 62 3.017 15.870 5.546 1.00 0.00 C ATOM 1945 C LYS B 62 2.397 14.706 4.793 1.00 0.00 C ATOM 1946 O LYS B 62 1.593 13.959 5.349 1.00 0.00 O ATOM 1947 CB LYS B 62 3.838 15.350 6.733 1.00 0.00 C ATOM 1948 CG LYS B 62 4.590 16.431 7.496 1.00 0.00 C ATOM 1949 CD LYS B 62 5.947 15.932 7.983 1.00 0.00 C ATOM 1950 CE LYS B 62 5.811 14.841 9.036 1.00 0.00 C ATOM 1951 NZ LYS B 62 6.997 13.938 9.059 1.00 0.00 N ATOM 0 H LYS B 62 1.563 16.499 6.900 1.00 0.00 H new ATOM 0 HA LYS B 62 3.692 16.426 4.895 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.171 14.833 7.422 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.554 14.613 6.369 1.00 0.00 H new ATOM 0 HG2 LYS B 62 4.730 17.300 6.854 1.00 0.00 H new ATOM 0 HG3 LYS B 62 3.994 16.757 8.348 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.517 15.549 7.137 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.513 16.767 8.397 1.00 0.00 H new ATOM 0 HE2 LYS B 62 5.684 15.298 10.017 1.00 0.00 H new ATOM 0 HE3 LYS B 62 4.913 14.256 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.206 13.665 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 6.795 13.086 8.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.818 14.433 8.655 1.00 0.00 H new ATOM 1965 N ILE B 63 2.740 14.569 3.525 1.00 0.00 N ATOM 1966 CA ILE B 63 2.210 13.491 2.713 1.00 0.00 C ATOM 1967 C ILE B 63 3.004 12.231 3.018 1.00 0.00 C ATOM 1968 O ILE B 63 4.093 12.038 2.495 1.00 0.00 O ATOM 1969 CB ILE B 63 2.292 13.818 1.215 1.00 0.00 C ATOM 1970 CG1 ILE B 63 1.302 14.931 0.861 1.00 0.00 C ATOM 1971 CG2 ILE B 63 1.997 12.574 0.389 1.00 0.00 C ATOM 1972 CD1 ILE B 63 1.688 16.312 1.347 1.00 0.00 C ATOM 0 H ILE B 63 3.383 15.191 3.036 1.00 0.00 H new ATOM 0 HA ILE B 63 1.157 13.348 2.954 1.00 0.00 H new ATOM 0 HB ILE B 63 3.301 14.161 0.987 1.00 0.00 H new ATOM 0 HG12 ILE B 63 1.187 14.963 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.328 14.675 1.277 1.00 0.00 H new ATOM 0 HG21 ILE B 63 2.058 12.818 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE B 63 2.726 11.799 0.625 1.00 0.00 H new ATOM 0 HG23 ILE B 63 0.995 12.212 0.621 1.00 0.00 H new ATOM 0 HD11 ILE B 63 0.925 17.030 1.047 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.772 16.305 2.434 1.00 0.00 H new ATOM 0 HD13 ILE B 63 2.645 16.597 0.911 1.00 0.00 H new ATOM 1984 N GLN B 64 2.485 11.385 3.885 1.00 0.00 N ATOM 1985 CA GLN B 64 3.222 10.194 4.265 1.00 0.00 C ATOM 1986 C GLN B 64 2.434 8.910 4.060 1.00 0.00 C ATOM 1987 O GLN B 64 1.214 8.914 3.888 1.00 0.00 O ATOM 1988 CB GLN B 64 3.679 10.302 5.721 1.00 0.00 C ATOM 1989 CG GLN B 64 3.715 11.728 6.232 1.00 0.00 C ATOM 1990 CD GLN B 64 4.362 11.864 7.588 1.00 0.00 C ATOM 1991 OE1 GLN B 64 5.575 12.031 7.697 1.00 0.00 O ATOM 1992 NE2 GLN B 64 3.552 11.821 8.629 1.00 0.00 N ATOM 0 H GLN B 64 1.575 11.494 4.333 1.00 0.00 H new ATOM 0 HA GLN B 64 4.087 10.138 3.605 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.010 9.715 6.349 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.672 9.864 5.817 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.255 12.349 5.517 1.00 0.00 H new ATOM 0 HG3 GLN B 64 2.697 12.113 6.284 1.00 0.00 H new ATOM 0 HE21 GLN B 64 2.551 11.680 8.491 1.00 0.00 H new ATOM 0 HE22 GLN B 64 3.927 11.929 9.572 1.00 0.00 H new ATOM 2001 N LEU B 65 3.180 7.823 4.081 1.00 0.00 N ATOM 2002 CA LEU B 65 2.673 6.478 3.915 1.00 0.00 C ATOM 2003 C LEU B 65 3.339 5.590 4.962 1.00 0.00 C ATOM 2004 O LEU B 65 4.375 5.956 5.497 1.00 0.00 O ATOM 2005 CB LEU B 65 3.038 5.974 2.519 1.00 0.00 C ATOM 2006 CG LEU B 65 2.268 4.753 2.019 1.00 0.00 C ATOM 2007 CD1 LEU B 65 1.024 5.169 1.244 1.00 0.00 C ATOM 2008 CD2 LEU B 65 3.177 3.882 1.175 1.00 0.00 C ATOM 0 H LEU B 65 4.190 7.855 4.219 1.00 0.00 H new ATOM 0 HA LEU B 65 1.590 6.459 4.034 1.00 0.00 H new ATOM 0 HB2 LEU B 65 2.886 6.788 1.810 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.102 5.736 2.508 1.00 0.00 H new ATOM 0 HG LEU B 65 1.933 4.173 2.879 1.00 0.00 H new ATOM 0 HD11 LEU B 65 0.495 4.280 0.900 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.370 5.752 1.892 1.00 0.00 H new ATOM 0 HD13 LEU B 65 1.316 5.773 0.385 1.00 0.00 H new ATOM 0 HD21 LEU B 65 2.622 3.013 0.821 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.539 4.454 0.321 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.025 3.552 1.775 1.00 0.00 H new ATOM 2020 N GLN B 66 2.748 4.453 5.272 1.00 0.00 N ATOM 2021 CA GLN B 66 3.329 3.535 6.238 1.00 0.00 C ATOM 2022 C GLN B 66 3.109 2.099 5.801 1.00 0.00 C ATOM 2023 O GLN B 66 2.002 1.715 5.441 1.00 0.00 O ATOM 2024 CB GLN B 66 2.748 3.750 7.630 1.00 0.00 C ATOM 2025 CG GLN B 66 3.260 2.753 8.664 1.00 0.00 C ATOM 2026 CD GLN B 66 2.665 2.970 10.042 1.00 0.00 C ATOM 2027 OE1 GLN B 66 1.643 2.376 10.395 1.00 0.00 O ATOM 2028 NE2 GLN B 66 3.308 3.811 10.834 1.00 0.00 N ATOM 0 H GLN B 66 1.864 4.140 4.870 1.00 0.00 H new ATOM 0 HA GLN B 66 4.399 3.736 6.283 1.00 0.00 H new ATOM 0 HB2 GLN B 66 2.986 4.760 7.962 1.00 0.00 H new ATOM 0 HB3 GLN B 66 1.662 3.680 7.576 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.030 1.741 8.330 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.346 2.829 8.727 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.150 4.281 10.502 1.00 0.00 H new ATOM 0 HE22 GLN B 66 2.962 3.989 11.777 1.00 0.00 H new ATOM 2037 N LEU B 67 4.175 1.323 5.809 1.00 0.00 N ATOM 2038 CA LEU B 67 4.105 -0.075 5.437 1.00 0.00 C ATOM 2039 C LEU B 67 4.080 -0.942 6.677 1.00 0.00 C ATOM 2040 O LEU B 67 5.105 -1.128 7.326 1.00 0.00 O ATOM 2041 CB LEU B 67 5.303 -0.470 4.580 1.00 0.00 C ATOM 2042 CG LEU B 67 5.345 0.135 3.184 1.00 0.00 C ATOM 2043 CD1 LEU B 67 6.548 -0.404 2.433 1.00 0.00 C ATOM 2044 CD2 LEU B 67 4.059 -0.169 2.429 1.00 0.00 C ATOM 0 H LEU B 67 5.108 1.642 6.072 1.00 0.00 H new ATOM 0 HA LEU B 67 3.191 -0.224 4.862 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.213 -0.184 5.107 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.317 -1.556 4.486 1.00 0.00 H new ATOM 0 HG LEU B 67 5.436 1.218 3.268 1.00 0.00 H new ATOM 0 HD11 LEU B 67 6.577 0.030 1.433 1.00 0.00 H new ATOM 0 HD12 LEU B 67 7.460 -0.141 2.970 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.473 -1.489 2.356 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.109 0.272 1.433 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.935 -1.248 2.342 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.211 0.251 2.970 1.00 0.00 H new ATOM 2056 N VAL B 68 2.915 -1.452 7.014 1.00 0.00 N ATOM 2057 CA VAL B 68 2.776 -2.312 8.171 1.00 0.00 C ATOM 2058 C VAL B 68 2.937 -3.752 7.733 1.00 0.00 C ATOM 2059 O VAL B 68 2.034 -4.334 7.142 1.00 0.00 O ATOM 2060 CB VAL B 68 1.416 -2.130 8.858 1.00 0.00 C ATOM 2061 CG1 VAL B 68 1.413 -2.829 10.198 1.00 0.00 C ATOM 2062 CG2 VAL B 68 1.097 -0.658 9.023 1.00 0.00 C ATOM 0 H VAL B 68 2.048 -1.286 6.502 1.00 0.00 H new ATOM 0 HA VAL B 68 3.547 -2.043 8.893 1.00 0.00 H new ATOM 0 HB VAL B 68 0.645 -2.577 8.231 1.00 0.00 H new ATOM 0 HG11 VAL B 68 0.443 -2.693 10.677 1.00 0.00 H new ATOM 0 HG12 VAL B 68 1.601 -3.893 10.054 1.00 0.00 H new ATOM 0 HG13 VAL B 68 2.193 -2.405 10.831 1.00 0.00 H new ATOM 0 HG21 VAL B 68 0.129 -0.548 9.512 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.867 -0.185 9.632 1.00 0.00 H new ATOM 0 HG23 VAL B 68 1.065 -0.181 8.044 1.00 0.00 H new ATOM 2072 N LEU B 69 4.087 -4.324 8.020 1.00 0.00 N ATOM 2073 CA LEU B 69 4.377 -5.679 7.600 1.00 0.00 C ATOM 2074 C LEU B 69 3.944 -6.702 8.648 1.00 0.00 C ATOM 2075 O LEU B 69 3.808 -6.379 9.829 1.00 0.00 O ATOM 2076 CB LEU B 69 5.869 -5.816 7.328 1.00 0.00 C ATOM 2077 CG LEU B 69 6.558 -4.531 6.865 1.00 0.00 C ATOM 2078 CD1 LEU B 69 8.056 -4.698 6.884 1.00 0.00 C ATOM 2079 CD2 LEU B 69 6.103 -4.119 5.480 1.00 0.00 C ATOM 0 H LEU B 69 4.837 -3.872 8.543 1.00 0.00 H new ATOM 0 HA LEU B 69 3.811 -5.880 6.690 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.359 -6.167 8.236 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.017 -6.584 6.569 1.00 0.00 H new ATOM 0 HG LEU B 69 6.275 -3.742 7.562 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.529 -3.774 6.552 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.383 -4.929 7.898 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.340 -5.512 6.216 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.615 -3.202 5.187 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.340 -4.910 4.769 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.027 -3.947 5.487 1.00 0.00 H new ATOM 2091 N HIS B 70 3.746 -7.938 8.198 1.00 0.00 N ATOM 2092 CA HIS B 70 3.341 -9.040 9.066 1.00 0.00 C ATOM 2093 C HIS B 70 4.482 -9.414 10.001 1.00 0.00 C ATOM 2094 O HIS B 70 4.275 -10.055 11.026 1.00 0.00 O ATOM 2095 CB HIS B 70 2.968 -10.282 8.242 1.00 0.00 C ATOM 2096 CG HIS B 70 1.626 -10.228 7.579 1.00 0.00 C ATOM 2097 ND1 HIS B 70 0.432 -10.325 8.254 1.00 0.00 N ATOM 2098 CD2 HIS B 70 1.303 -10.106 6.266 1.00 0.00 C ATOM 2099 CE1 HIS B 70 -0.557 -10.261 7.358 1.00 0.00 C ATOM 2100 NE2 HIS B 70 -0.082 -10.127 6.134 1.00 0.00 N ATOM 0 H HIS B 70 3.862 -8.204 7.220 1.00 0.00 H new ATOM 0 HA HIS B 70 2.474 -8.709 9.637 1.00 0.00 H new ATOM 0 HB2 HIS B 70 3.728 -10.432 7.475 1.00 0.00 H new ATOM 0 HB3 HIS B 70 2.998 -11.154 8.895 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.008 -10.008 5.454 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.608 -10.312 7.603 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -0.619 -10.054 5.270 1.00 0.00 H new ATOM 2108 N ALA B 71 5.696 -9.046 9.606 1.00 0.00 N ATOM 2109 CA ALA B 71 6.883 -9.339 10.396 1.00 0.00 C ATOM 2110 C ALA B 71 6.883 -8.584 11.719 1.00 0.00 C ATOM 2111 O ALA B 71 7.455 -9.053 12.703 1.00 0.00 O ATOM 2112 CB ALA B 71 8.136 -9.006 9.603 1.00 0.00 C ATOM 0 H ALA B 71 5.883 -8.542 8.739 1.00 0.00 H new ATOM 0 HA ALA B 71 6.873 -10.405 10.624 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.017 -9.229 10.204 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.158 -9.602 8.691 1.00 0.00 H new ATOM 0 HB3 ALA B 71 8.132 -7.947 9.344 1.00 0.00 H new ATOM 2118 N GLY B 72 6.243 -7.424 11.745 1.00 0.00 N ATOM 2119 CA GLY B 72 6.212 -6.635 12.956 1.00 0.00 C ATOM 2120 C GLY B 72 7.066 -5.414 12.781 1.00 0.00 C ATOM 2121 O GLY B 72 7.655 -4.894 13.727 1.00 0.00 O ATOM 0 H GLY B 72 5.747 -7.018 10.952 1.00 0.00 H new ATOM 0 HA2 GLY B 72 5.187 -6.345 13.187 1.00 0.00 H new ATOM 0 HA3 GLY B 72 6.573 -7.227 13.797 1.00 0.00 H new ATOM 2125 N ASP B 73 7.108 -4.959 11.543 1.00 0.00 N ATOM 2126 CA ASP B 73 7.886 -3.815 11.157 1.00 0.00 C ATOM 2127 C ASP B 73 6.982 -2.898 10.389 1.00 0.00 C ATOM 2128 O ASP B 73 6.160 -3.353 9.593 1.00 0.00 O ATOM 2129 CB ASP B 73 9.065 -4.221 10.270 1.00 0.00 C ATOM 2130 CG ASP B 73 9.938 -3.037 9.893 1.00 0.00 C ATOM 2131 OD1 ASP B 73 9.635 -2.370 8.880 1.00 0.00 O ATOM 2132 OD2 ASP B 73 10.922 -2.774 10.613 1.00 0.00 O ATOM 0 H ASP B 73 6.593 -5.385 10.773 1.00 0.00 H new ATOM 0 HA ASP B 73 8.290 -3.329 12.045 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.669 -4.964 10.791 1.00 0.00 H new ATOM 0 HB3 ASP B 73 8.688 -4.695 9.364 1.00 0.00 H new ATOM 2137 N THR B 74 7.081 -1.631 10.657 1.00 0.00 N ATOM 2138 CA THR B 74 6.270 -0.679 9.962 1.00 0.00 C ATOM 2139 C THR B 74 7.151 0.494 9.524 1.00 0.00 C ATOM 2140 O THR B 74 7.736 1.178 10.367 1.00 0.00 O ATOM 2141 CB THR B 74 5.122 -0.183 10.856 1.00 0.00 C ATOM 2142 OG1 THR B 74 5.638 0.423 12.046 1.00 0.00 O ATOM 2143 CG2 THR B 74 4.194 -1.326 11.232 1.00 0.00 C ATOM 0 H THR B 74 7.714 -1.233 11.351 1.00 0.00 H new ATOM 0 HA THR B 74 5.827 -1.154 9.087 1.00 0.00 H new ATOM 0 HB THR B 74 4.557 0.558 10.291 1.00 0.00 H new ATOM 0 HG1 THR B 74 6.478 0.884 11.841 1.00 0.00 H new ATOM 0 HG21 THR B 74 3.390 -0.949 11.865 1.00 0.00 H new ATOM 0 HG22 THR B 74 3.770 -1.763 10.328 1.00 0.00 H new ATOM 0 HG23 THR B 74 4.755 -2.087 11.774 1.00 0.00 H new ATOM 2151 N THR B 75 7.245 0.730 8.225 1.00 0.00 N ATOM 2152 CA THR B 75 8.083 1.806 7.706 1.00 0.00 C ATOM 2153 C THR B 75 7.249 2.944 7.118 1.00 0.00 C ATOM 2154 O THR B 75 6.361 2.711 6.300 1.00 0.00 O ATOM 2155 CB THR B 75 9.066 1.260 6.646 1.00 0.00 C ATOM 2156 OG1 THR B 75 10.091 0.485 7.285 1.00 0.00 O ATOM 2157 CG2 THR B 75 9.708 2.384 5.842 1.00 0.00 C ATOM 0 H THR B 75 6.754 0.194 7.510 1.00 0.00 H new ATOM 0 HA THR B 75 8.650 2.212 8.544 1.00 0.00 H new ATOM 0 HB THR B 75 8.498 0.633 5.959 1.00 0.00 H new ATOM 0 HG1 THR B 75 10.363 -0.248 6.694 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.393 1.961 5.107 1.00 0.00 H new ATOM 0 HG22 THR B 75 8.933 2.954 5.330 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.259 3.043 6.513 1.00 0.00 H new ATOM 2165 N ASN B 76 7.541 4.174 7.538 1.00 0.00 N ATOM 2166 CA ASN B 76 6.811 5.340 7.051 1.00 0.00 C ATOM 2167 C ASN B 76 7.593 6.044 5.943 1.00 0.00 C ATOM 2168 O ASN B 76 8.797 6.266 6.058 1.00 0.00 O ATOM 2169 CB ASN B 76 6.527 6.351 8.179 1.00 0.00 C ATOM 2170 CG ASN B 76 5.714 5.794 9.334 1.00 0.00 C ATOM 2171 OD1 ASN B 76 5.657 4.587 9.561 1.00 0.00 O ATOM 2172 ND2 ASN B 76 5.088 6.688 10.082 1.00 0.00 N ATOM 0 H ASN B 76 8.276 4.387 8.212 1.00 0.00 H new ATOM 0 HA ASN B 76 5.861 4.975 6.660 1.00 0.00 H new ATOM 0 HB2 ASN B 76 7.477 6.722 8.565 1.00 0.00 H new ATOM 0 HB3 ASN B 76 5.998 7.206 7.758 1.00 0.00 H new ATOM 0 HD21 ASN B 76 4.532 6.385 10.882 1.00 0.00 H new ATOM 0 HD22 ASN B 76 5.161 7.681 9.859 1.00 0.00 H new ATOM 2179 N PHE B 77 6.894 6.375 4.869 1.00 0.00 N ATOM 2180 CA PHE B 77 7.486 7.072 3.733 1.00 0.00 C ATOM 2181 C PHE B 77 6.856 8.452 3.606 1.00 0.00 C ATOM 2182 O PHE B 77 5.640 8.574 3.531 1.00 0.00 O ATOM 2183 CB PHE B 77 7.278 6.279 2.441 1.00 0.00 C ATOM 2184 CG PHE B 77 8.130 5.046 2.347 1.00 0.00 C ATOM 2185 CD1 PHE B 77 9.486 5.105 2.620 1.00 0.00 C ATOM 2186 CD2 PHE B 77 7.577 3.831 1.980 1.00 0.00 C ATOM 2187 CE1 PHE B 77 10.275 3.976 2.530 1.00 0.00 C ATOM 2188 CE2 PHE B 77 8.362 2.698 1.888 1.00 0.00 C ATOM 2189 CZ PHE B 77 9.711 2.770 2.162 1.00 0.00 C ATOM 0 H PHE B 77 5.901 6.169 4.758 1.00 0.00 H new ATOM 0 HA PHE B 77 8.558 7.173 3.900 1.00 0.00 H new ATOM 0 HB2 PHE B 77 6.229 5.992 2.366 1.00 0.00 H new ATOM 0 HB3 PHE B 77 7.493 6.925 1.590 1.00 0.00 H new ATOM 0 HD1 PHE B 77 9.932 6.046 2.907 1.00 0.00 H new ATOM 0 HD2 PHE B 77 6.521 3.768 1.763 1.00 0.00 H new ATOM 0 HE1 PHE B 77 11.331 4.035 2.747 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.919 1.756 1.601 1.00 0.00 H new ATOM 0 HZ PHE B 77 10.326 1.885 2.089 1.00 0.00 H new ATOM 2199 N HIS B 78 7.679 9.481 3.565 1.00 0.00 N ATOM 2200 CA HIS B 78 7.194 10.850 3.487 1.00 0.00 C ATOM 2201 C HIS B 78 7.443 11.452 2.105 1.00 0.00 C ATOM 2202 O HIS B 78 8.565 11.810 1.757 1.00 0.00 O ATOM 2203 CB HIS B 78 7.880 11.677 4.580 1.00 0.00 C ATOM 2204 CG HIS B 78 7.470 13.118 4.643 1.00 0.00 C ATOM 2205 ND1 HIS B 78 6.345 13.741 4.208 1.00 0.00 N flip ATOM 2206 CD2 HIS B 78 8.259 14.101 5.193 1.00 0.00 C flip ATOM 2207 CE1 HIS B 78 6.444 15.103 4.483 1.00 0.00 C flip ATOM 2208 NE2 HIS B 78 7.613 15.264 5.075 1.00 0.00 N flip ATOM 0 H HIS B 78 8.695 9.396 3.584 1.00 0.00 H new ATOM 0 HA HIS B 78 6.115 10.859 3.644 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.674 11.215 5.546 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.958 11.629 4.427 1.00 0.00 H new ATOM 0 HD1 HIS B 78 5.554 13.285 3.753 1.00 0.00 H new ATOM 0 HD2 HIS B 78 9.231 13.958 5.642 1.00 0.00 H new ATOM 0 HE1 HIS B 78 5.716 15.868 4.259 1.00 0.00 H new ATOM 2216 N PHE B 79 6.384 11.558 1.326 1.00 0.00 N ATOM 2217 CA PHE B 79 6.459 12.130 -0.007 1.00 0.00 C ATOM 2218 C PHE B 79 6.343 13.638 0.118 1.00 0.00 C ATOM 2219 O PHE B 79 5.270 14.168 0.399 1.00 0.00 O ATOM 2220 CB PHE B 79 5.342 11.580 -0.894 1.00 0.00 C ATOM 2221 CG PHE B 79 5.234 10.082 -0.866 1.00 0.00 C ATOM 2222 CD1 PHE B 79 4.579 9.439 0.172 1.00 0.00 C ATOM 2223 CD2 PHE B 79 5.786 9.318 -1.878 1.00 0.00 C ATOM 2224 CE1 PHE B 79 4.477 8.065 0.199 1.00 0.00 C ATOM 2225 CE2 PHE B 79 5.687 7.942 -1.857 1.00 0.00 C ATOM 2226 CZ PHE B 79 5.030 7.314 -0.816 1.00 0.00 C ATOM 0 H PHE B 79 5.450 11.252 1.597 1.00 0.00 H new ATOM 0 HA PHE B 79 7.409 11.864 -0.471 1.00 0.00 H new ATOM 0 HB2 PHE B 79 4.392 12.010 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE B 79 5.512 11.905 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE B 79 4.143 10.022 0.970 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.300 9.804 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.964 7.577 1.015 1.00 0.00 H new ATOM 0 HE2 PHE B 79 6.122 7.356 -2.653 1.00 0.00 H new ATOM 0 HZ PHE B 79 4.950 6.237 -0.798 1.00 0.00 H new ATOM 2236 N SER B 80 7.451 14.323 -0.062 1.00 0.00 N ATOM 2237 CA SER B 80 7.471 15.765 0.078 1.00 0.00 C ATOM 2238 C SER B 80 7.708 16.481 -1.241 1.00 0.00 C ATOM 2239 O SER B 80 8.228 17.593 -1.240 1.00 0.00 O ATOM 2240 CB SER B 80 8.554 16.168 1.073 1.00 0.00 C ATOM 2241 OG SER B 80 8.671 15.213 2.111 1.00 0.00 O ATOM 0 H SER B 80 8.350 13.907 -0.305 1.00 0.00 H new ATOM 0 HA SER B 80 6.487 16.065 0.438 1.00 0.00 H new ATOM 0 HB2 SER B 80 9.509 16.267 0.556 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.318 17.144 1.497 1.00 0.00 H new ATOM 0 HG SER B 80 7.817 14.745 2.223 1.00 0.00 H new ATOM 2247 N ASN B 81 7.346 15.865 -2.362 1.00 0.00 N ATOM 2248 CA ASN B 81 7.523 16.522 -3.638 1.00 0.00 C ATOM 2249 C ASN B 81 6.534 17.667 -3.694 1.00 0.00 C ATOM 2250 O ASN B 81 5.322 17.438 -3.732 1.00 0.00 O ATOM 2251 CB ASN B 81 7.269 15.551 -4.782 1.00 0.00 C ATOM 2252 CG ASN B 81 7.844 16.018 -6.103 1.00 0.00 C ATOM 2253 OD1 ASN B 81 8.027 17.214 -6.339 1.00 0.00 O ATOM 2254 ND2 ASN B 81 8.113 15.070 -6.981 1.00 0.00 N ATOM 0 H ASN B 81 6.937 14.932 -2.407 1.00 0.00 H new ATOM 0 HA ASN B 81 8.545 16.887 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN B 81 7.699 14.582 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN B 81 6.195 15.404 -4.893 1.00 0.00 H new ATOM 0 HD21 ASN B 81 8.488 15.315 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN B 81 7.946 14.092 -6.743 1.00 0.00 H new ATOM 2261 N GLU B 82 7.036 18.888 -3.665 1.00 0.00 N ATOM 2262 CA GLU B 82 6.183 20.070 -3.674 1.00 0.00 C ATOM 2263 C GLU B 82 5.488 20.273 -5.026 1.00 0.00 C ATOM 2264 O GLU B 82 5.572 21.337 -5.639 1.00 0.00 O ATOM 2265 CB GLU B 82 6.989 21.319 -3.281 1.00 0.00 C ATOM 2266 CG GLU B 82 8.399 21.375 -3.868 1.00 0.00 C ATOM 2267 CD GLU B 82 9.422 20.615 -3.040 1.00 0.00 C ATOM 2268 OE1 GLU B 82 9.932 21.180 -2.050 1.00 0.00 O ATOM 2269 OE2 GLU B 82 9.714 19.449 -3.384 1.00 0.00 O ATOM 0 H GLU B 82 8.035 19.091 -3.635 1.00 0.00 H new ATOM 0 HA GLU B 82 5.399 19.910 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU B 82 6.441 22.205 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU B 82 7.060 21.363 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU B 82 8.382 20.965 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU B 82 8.710 22.416 -3.952 1.00 0.00 H new ATOM 2276 N SER B 83 4.779 19.240 -5.461 1.00 0.00 N ATOM 2277 CA SER B 83 4.045 19.259 -6.712 1.00 0.00 C ATOM 2278 C SER B 83 3.174 18.005 -6.830 1.00 0.00 C ATOM 2279 O SER B 83 2.031 18.064 -7.305 1.00 0.00 O ATOM 2280 CB SER B 83 5.013 19.343 -7.898 1.00 0.00 C ATOM 2281 OG SER B 83 5.890 18.230 -7.925 1.00 0.00 O ATOM 0 H SER B 83 4.699 18.361 -4.950 1.00 0.00 H new ATOM 0 HA SER B 83 3.401 20.139 -6.725 1.00 0.00 H new ATOM 0 HB2 SER B 83 4.448 19.387 -8.829 1.00 0.00 H new ATOM 0 HB3 SER B 83 5.592 20.264 -7.833 1.00 0.00 H new ATOM 0 HG SER B 83 6.496 18.272 -7.156 1.00 0.00 H new ATOM 2287 N THR B 84 3.705 16.869 -6.383 1.00 0.00 N ATOM 2288 CA THR B 84 2.982 15.609 -6.466 1.00 0.00 C ATOM 2289 C THR B 84 2.887 14.872 -5.143 1.00 0.00 C ATOM 2290 O THR B 84 2.290 13.806 -5.105 1.00 0.00 O ATOM 2291 CB THR B 84 3.674 14.663 -7.444 1.00 0.00 C ATOM 2292 OG1 THR B 84 5.094 14.785 -7.302 1.00 0.00 O ATOM 2293 CG2 THR B 84 3.293 14.980 -8.867 1.00 0.00 C ATOM 0 H THR B 84 4.631 16.798 -5.961 1.00 0.00 H new ATOM 0 HA THR B 84 1.978 15.880 -6.792 1.00 0.00 H new ATOM 0 HB THR B 84 3.357 13.645 -7.217 1.00 0.00 H new ATOM 0 HG1 THR B 84 5.536 14.081 -7.820 1.00 0.00 H new ATOM 0 HG21 THR B 84 3.801 14.291 -9.542 1.00 0.00 H new ATOM 0 HG22 THR B 84 2.215 14.877 -8.987 1.00 0.00 H new ATOM 0 HG23 THR B 84 3.588 16.002 -9.104 1.00 0.00 H new ATOM 2301 N ALA B 85 3.438 15.460 -4.081 1.00 0.00 N ATOM 2302 CA ALA B 85 3.487 14.850 -2.746 1.00 0.00 C ATOM 2303 C ALA B 85 2.319 13.891 -2.483 1.00 0.00 C ATOM 2304 O ALA B 85 2.494 12.672 -2.484 1.00 0.00 O ATOM 2305 CB ALA B 85 3.537 15.958 -1.702 1.00 0.00 C ATOM 0 H ALA B 85 3.869 16.384 -4.121 1.00 0.00 H new ATOM 0 HA ALA B 85 4.387 14.238 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA B 85 3.574 15.518 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA B 85 4.426 16.569 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA B 85 2.647 16.582 -1.791 1.00 0.00 H new ATOM 2311 N VAL B 86 1.135 14.449 -2.293 1.00 0.00 N ATOM 2312 CA VAL B 86 -0.088 13.675 -2.051 1.00 0.00 C ATOM 2313 C VAL B 86 -0.340 12.585 -3.097 1.00 0.00 C ATOM 2314 O VAL B 86 -0.583 11.430 -2.742 1.00 0.00 O ATOM 2315 CB VAL B 86 -1.276 14.651 -1.969 1.00 0.00 C ATOM 2316 CG1 VAL B 86 -2.548 14.038 -2.532 1.00 0.00 C ATOM 2317 CG2 VAL B 86 -1.526 15.076 -0.535 1.00 0.00 C ATOM 0 H VAL B 86 0.986 15.458 -2.301 1.00 0.00 H new ATOM 0 HA VAL B 86 0.034 13.142 -1.108 1.00 0.00 H new ATOM 0 HB VAL B 86 -1.011 15.521 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -3.363 14.758 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -2.393 13.775 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -2.801 13.142 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -2.370 15.765 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -1.750 14.198 0.071 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -0.638 15.571 -0.142 1.00 0.00 H new ATOM 2327 N LYS B 87 -0.254 12.940 -4.370 1.00 0.00 N ATOM 2328 CA LYS B 87 -0.493 11.985 -5.450 1.00 0.00 C ATOM 2329 C LYS B 87 0.515 10.845 -5.389 1.00 0.00 C ATOM 2330 O LYS B 87 0.196 9.720 -5.733 1.00 0.00 O ATOM 2331 CB LYS B 87 -0.402 12.685 -6.810 1.00 0.00 C ATOM 2332 CG LYS B 87 -1.094 14.040 -6.857 1.00 0.00 C ATOM 2333 CD LYS B 87 -0.439 14.962 -7.878 1.00 0.00 C ATOM 2334 CE LYS B 87 -1.036 16.360 -7.840 1.00 0.00 C ATOM 2335 NZ LYS B 87 -0.243 17.326 -8.654 1.00 0.00 N ATOM 0 H LYS B 87 -0.021 13.882 -4.684 1.00 0.00 H new ATOM 0 HA LYS B 87 -1.495 11.575 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS B 87 0.648 12.816 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -0.840 12.038 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -2.146 13.905 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -1.059 14.503 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS B 87 0.632 15.018 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -0.559 14.542 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -2.060 16.327 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -1.082 16.707 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -0.745 18.236 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 0.689 17.466 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -0.120 16.950 -9.616 1.00 0.00 H new ATOM 2349 N GLU B 88 1.728 11.148 -4.949 1.00 0.00 N ATOM 2350 CA GLU B 88 2.772 10.143 -4.831 1.00 0.00 C ATOM 2351 C GLU B 88 2.403 9.134 -3.750 1.00 0.00 C ATOM 2352 O GLU B 88 2.450 7.922 -3.978 1.00 0.00 O ATOM 2353 CB GLU B 88 4.105 10.809 -4.514 1.00 0.00 C ATOM 2354 CG GLU B 88 4.585 11.725 -5.621 1.00 0.00 C ATOM 2355 CD GLU B 88 5.818 12.508 -5.235 1.00 0.00 C ATOM 2356 OE1 GLU B 88 5.981 12.813 -4.035 1.00 0.00 O ATOM 2357 OE2 GLU B 88 6.617 12.831 -6.141 1.00 0.00 O ATOM 0 H GLU B 88 2.013 12.086 -4.667 1.00 0.00 H new ATOM 0 HA GLU B 88 2.869 9.614 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU B 88 4.009 11.382 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU B 88 4.856 10.040 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU B 88 4.799 11.132 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU B 88 3.787 12.419 -5.885 1.00 0.00 H new ATOM 2364 N ARG B 89 2.024 9.645 -2.580 1.00 0.00 N ATOM 2365 CA ARG B 89 1.602 8.797 -1.467 1.00 0.00 C ATOM 2366 C ARG B 89 0.449 7.939 -1.918 1.00 0.00 C ATOM 2367 O ARG B 89 0.438 6.724 -1.734 1.00 0.00 O ATOM 2368 CB ARG B 89 1.155 9.654 -0.272 1.00 0.00 C ATOM 2369 CG ARG B 89 0.008 9.065 0.552 1.00 0.00 C ATOM 2370 CD ARG B 89 -0.887 10.153 1.145 1.00 0.00 C ATOM 2371 NE ARG B 89 -2.060 10.442 0.308 1.00 0.00 N ATOM 2372 CZ ARG B 89 -2.835 11.528 0.439 1.00 0.00 C ATOM 2373 NH1 ARG B 89 -2.614 12.410 1.401 1.00 0.00 N ATOM 2374 NH2 ARG B 89 -3.855 11.725 -0.378 1.00 0.00 N ATOM 0 H ARG B 89 2.001 10.645 -2.378 1.00 0.00 H new ATOM 0 HA ARG B 89 2.442 8.175 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG B 89 2.011 9.810 0.384 1.00 0.00 H new ATOM 0 HB3 ARG B 89 0.852 10.634 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.590 8.407 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG B 89 0.416 8.453 1.356 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -1.220 9.844 2.136 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -0.305 11.065 1.275 1.00 0.00 H new ATOM 0 HE ARG B 89 -2.301 9.771 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -1.845 12.268 2.056 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.213 13.231 1.487 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -4.057 11.048 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.440 12.554 -0.272 1.00 0.00 H new ATOM 2388 N ASP B 90 -0.509 8.601 -2.531 1.00 0.00 N ATOM 2389 CA ASP B 90 -1.700 7.955 -3.020 1.00 0.00 C ATOM 2390 C ASP B 90 -1.421 6.936 -4.096 1.00 0.00 C ATOM 2391 O ASP B 90 -1.981 5.853 -4.080 1.00 0.00 O ATOM 2392 CB ASP B 90 -2.689 8.998 -3.524 1.00 0.00 C ATOM 2393 CG ASP B 90 -3.645 9.397 -2.438 1.00 0.00 C ATOM 2394 OD1 ASP B 90 -3.712 8.665 -1.422 1.00 0.00 O ATOM 2395 OD2 ASP B 90 -4.319 10.423 -2.582 1.00 0.00 O ATOM 0 H ASP B 90 -0.480 9.606 -2.703 1.00 0.00 H new ATOM 0 HA ASP B 90 -2.132 7.410 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -2.149 9.876 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -3.243 8.599 -4.374 1.00 0.00 H new ATOM 2400 N ALA B 91 -0.518 7.265 -4.982 1.00 0.00 N ATOM 2401 CA ALA B 91 -0.189 6.382 -6.099 1.00 0.00 C ATOM 2402 C ALA B 91 0.473 5.121 -5.611 1.00 0.00 C ATOM 2403 O ALA B 91 0.093 4.008 -5.980 1.00 0.00 O ATOM 2404 CB ALA B 91 0.732 7.089 -7.067 1.00 0.00 C ATOM 0 H ALA B 91 0.010 8.137 -4.962 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.118 6.118 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA B 91 0.971 6.422 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.240 7.983 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.651 7.373 -6.554 1.00 0.00 H new ATOM 2410 N VAL B 92 1.483 5.318 -4.797 1.00 0.00 N ATOM 2411 CA VAL B 92 2.222 4.231 -4.213 1.00 0.00 C ATOM 2412 C VAL B 92 1.267 3.344 -3.434 1.00 0.00 C ATOM 2413 O VAL B 92 1.247 2.129 -3.596 1.00 0.00 O ATOM 2414 CB VAL B 92 3.301 4.809 -3.293 1.00 0.00 C ATOM 2415 CG1 VAL B 92 3.699 3.840 -2.205 1.00 0.00 C ATOM 2416 CG2 VAL B 92 4.511 5.224 -4.098 1.00 0.00 C ATOM 0 H VAL B 92 1.814 6.243 -4.522 1.00 0.00 H new ATOM 0 HA VAL B 92 2.701 3.631 -4.987 1.00 0.00 H new ATOM 0 HB VAL B 92 2.877 5.687 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.466 4.293 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.828 3.599 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.091 2.928 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.269 5.633 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.916 4.357 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.221 5.982 -4.826 1.00 0.00 H new ATOM 2426 N LYS B 93 0.447 3.999 -2.631 1.00 0.00 N ATOM 2427 CA LYS B 93 -0.556 3.349 -1.809 1.00 0.00 C ATOM 2428 C LYS B 93 -1.527 2.572 -2.668 1.00 0.00 C ATOM 2429 O LYS B 93 -1.892 1.447 -2.343 1.00 0.00 O ATOM 2430 CB LYS B 93 -1.327 4.421 -1.055 1.00 0.00 C ATOM 2431 CG LYS B 93 -2.516 3.905 -0.282 1.00 0.00 C ATOM 2432 CD LYS B 93 -3.376 5.055 0.191 1.00 0.00 C ATOM 2433 CE LYS B 93 -4.469 5.406 -0.798 1.00 0.00 C ATOM 2434 NZ LYS B 93 -3.951 5.992 -2.064 1.00 0.00 N ATOM 0 H LYS B 93 0.460 5.014 -2.531 1.00 0.00 H new ATOM 0 HA LYS B 93 -0.063 2.662 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -0.649 4.921 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.669 5.173 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.105 3.237 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -2.176 3.321 0.573 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.827 4.797 1.150 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.748 5.930 0.359 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.042 4.508 -1.029 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.157 6.113 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -4.601 5.764 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.878 7.025 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -3.011 5.597 -2.270 1.00 0.00 H new ATOM 2448 N ASP B 94 -1.954 3.197 -3.753 1.00 0.00 N ATOM 2449 CA ASP B 94 -2.895 2.578 -4.658 1.00 0.00 C ATOM 2450 C ASP B 94 -2.374 1.243 -5.157 1.00 0.00 C ATOM 2451 O ASP B 94 -3.020 0.210 -4.982 1.00 0.00 O ATOM 2452 CB ASP B 94 -3.217 3.485 -5.837 1.00 0.00 C ATOM 2453 CG ASP B 94 -4.437 4.346 -5.563 1.00 0.00 C ATOM 2454 OD1 ASP B 94 -4.594 4.822 -4.410 1.00 0.00 O ATOM 2455 OD2 ASP B 94 -5.258 4.519 -6.485 1.00 0.00 O ATOM 0 H ASP B 94 -1.660 4.135 -4.025 1.00 0.00 H new ATOM 0 HA ASP B 94 -3.814 2.408 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -2.360 4.124 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -3.391 2.879 -6.726 1.00 0.00 H new ATOM 2460 N LEU B 95 -1.189 1.272 -5.761 1.00 0.00 N ATOM 2461 CA LEU B 95 -0.562 0.061 -6.274 1.00 0.00 C ATOM 2462 C LEU B 95 -0.345 -0.930 -5.136 1.00 0.00 C ATOM 2463 O LEU B 95 -0.669 -2.109 -5.254 1.00 0.00 O ATOM 2464 CB LEU B 95 0.764 0.400 -6.972 1.00 0.00 C ATOM 2465 CG LEU B 95 0.780 0.224 -8.504 1.00 0.00 C ATOM 2466 CD1 LEU B 95 -0.635 0.205 -9.068 1.00 0.00 C ATOM 2467 CD2 LEU B 95 1.584 1.342 -9.149 1.00 0.00 C ATOM 0 H LEU B 95 -0.645 2.122 -5.906 1.00 0.00 H new ATOM 0 HA LEU B 95 -1.220 -0.399 -7.011 1.00 0.00 H new ATOM 0 HB2 LEU B 95 1.020 1.434 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU B 95 1.548 -0.226 -6.545 1.00 0.00 H new ATOM 0 HG LEU B 95 1.249 -0.733 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -0.594 0.080 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -1.191 -0.623 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.134 1.144 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU B 95 1.589 1.209 -10.231 1.00 0.00 H new ATOM 0 HD22 LEU B 95 1.132 2.303 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU B 95 2.608 1.316 -8.775 1.00 0.00 H new ATOM 2479 N LEU B 96 0.162 -0.418 -4.025 1.00 0.00 N ATOM 2480 CA LEU B 96 0.427 -1.216 -2.835 1.00 0.00 C ATOM 2481 C LEU B 96 -0.816 -1.980 -2.384 1.00 0.00 C ATOM 2482 O LEU B 96 -0.855 -3.210 -2.437 1.00 0.00 O ATOM 2483 CB LEU B 96 0.915 -0.290 -1.724 1.00 0.00 C ATOM 2484 CG LEU B 96 2.402 0.030 -1.777 1.00 0.00 C ATOM 2485 CD1 LEU B 96 2.750 1.079 -0.740 1.00 0.00 C ATOM 2486 CD2 LEU B 96 3.231 -1.225 -1.578 1.00 0.00 C ATOM 0 H LEU B 96 0.403 0.568 -3.922 1.00 0.00 H new ATOM 0 HA LEU B 96 1.192 -1.956 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU B 96 0.353 0.643 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU B 96 0.689 -0.748 -0.761 1.00 0.00 H new ATOM 0 HG LEU B 96 2.635 0.431 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU B 96 3.817 1.299 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU B 96 2.183 1.988 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU B 96 2.501 0.705 0.253 1.00 0.00 H new ATOM 0 HD21 LEU B 96 4.290 -0.972 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU B 96 3.001 -1.663 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU B 96 2.998 -1.943 -2.364 1.00 0.00 H new ATOM 2498 N GLN B 97 -1.826 -1.231 -1.963 1.00 0.00 N ATOM 2499 CA GLN B 97 -3.092 -1.785 -1.500 1.00 0.00 C ATOM 2500 C GLN B 97 -3.714 -2.765 -2.506 1.00 0.00 C ATOM 2501 O GLN B 97 -4.193 -3.829 -2.124 1.00 0.00 O ATOM 2502 CB GLN B 97 -4.043 -0.633 -1.170 1.00 0.00 C ATOM 2503 CG GLN B 97 -5.510 -0.908 -1.418 1.00 0.00 C ATOM 2504 CD GLN B 97 -6.338 0.359 -1.354 1.00 0.00 C ATOM 2505 OE1 GLN B 97 -6.851 0.733 -0.303 1.00 0.00 O ATOM 2506 NE2 GLN B 97 -6.453 1.042 -2.479 1.00 0.00 N ATOM 0 H GLN B 97 -1.790 -0.212 -1.933 1.00 0.00 H new ATOM 0 HA GLN B 97 -2.905 -2.373 -0.601 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -3.913 -0.367 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -3.750 0.237 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -5.632 -1.373 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -5.877 -1.620 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.012 0.698 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -6.983 1.913 -2.495 1.00 0.00 H new ATOM 2515 N GLN B 98 -3.657 -2.427 -3.791 1.00 0.00 N ATOM 2516 CA GLN B 98 -4.249 -3.266 -4.838 1.00 0.00 C ATOM 2517 C GLN B 98 -3.471 -4.555 -5.097 1.00 0.00 C ATOM 2518 O GLN B 98 -4.055 -5.573 -5.483 1.00 0.00 O ATOM 2519 CB GLN B 98 -4.352 -2.495 -6.153 1.00 0.00 C ATOM 2520 CG GLN B 98 -5.405 -1.399 -6.150 1.00 0.00 C ATOM 2521 CD GLN B 98 -5.322 -0.520 -7.383 1.00 0.00 C ATOM 2522 OE1 GLN B 98 -4.948 -0.979 -8.462 1.00 0.00 O ATOM 2523 NE2 GLN B 98 -5.661 0.750 -7.230 1.00 0.00 N ATOM 0 H GLN B 98 -3.208 -1.579 -4.136 1.00 0.00 H new ATOM 0 HA GLN B 98 -5.238 -3.538 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -3.382 -2.051 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -4.576 -3.197 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -6.396 -1.850 -6.094 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -5.284 -0.784 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -5.966 1.090 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -5.618 1.389 -8.024 1.00 0.00 H new ATOM 2532 N LEU B 99 -2.162 -4.525 -4.918 1.00 0.00 N ATOM 2533 CA LEU B 99 -1.338 -5.699 -5.188 1.00 0.00 C ATOM 2534 C LEU B 99 -1.157 -6.580 -3.959 1.00 0.00 C ATOM 2535 O LEU B 99 -0.943 -7.788 -4.084 1.00 0.00 O ATOM 2536 CB LEU B 99 0.023 -5.270 -5.723 1.00 0.00 C ATOM 2537 CG LEU B 99 -0.008 -4.574 -7.081 1.00 0.00 C ATOM 2538 CD1 LEU B 99 1.150 -3.600 -7.201 1.00 0.00 C ATOM 2539 CD2 LEU B 99 0.036 -5.596 -8.206 1.00 0.00 C ATOM 0 H LEU B 99 -1.646 -3.709 -4.589 1.00 0.00 H new ATOM 0 HA LEU B 99 -1.861 -6.293 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU B 99 0.487 -4.600 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.661 -6.150 -5.797 1.00 0.00 H new ATOM 0 HG LEU B 99 -0.940 -4.015 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU B 99 1.115 -3.111 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU B 99 1.076 -2.849 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU B 99 2.091 -4.140 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU B 99 0.013 -5.081 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.952 -6.182 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.826 -6.259 -8.129 1.00 0.00 H new ATOM 2551 N LEU B 100 -1.268 -5.971 -2.790 1.00 0.00 N ATOM 2552 CA LEU B 100 -1.093 -6.659 -1.512 1.00 0.00 C ATOM 2553 C LEU B 100 -1.811 -8.013 -1.408 1.00 0.00 C ATOM 2554 O LEU B 100 -1.156 -9.028 -1.185 1.00 0.00 O ATOM 2555 CB LEU B 100 -1.556 -5.765 -0.374 1.00 0.00 C ATOM 2556 CG LEU B 100 -0.501 -4.830 0.179 1.00 0.00 C ATOM 2557 CD1 LEU B 100 -1.104 -3.973 1.278 1.00 0.00 C ATOM 2558 CD2 LEU B 100 0.690 -5.628 0.685 1.00 0.00 C ATOM 0 H LEU B 100 -1.483 -4.979 -2.696 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.026 -6.871 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.401 -5.170 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.922 -6.395 0.437 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.146 -4.169 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.343 -3.301 1.674 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.929 -3.388 0.872 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.474 -4.614 2.078 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.443 -4.946 1.081 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.365 -6.307 1.474 1.00 0.00 H new ATOM 0 HD23 LEU B 100 1.117 -6.204 -0.136 1.00 0.00 H new ATOM 2570 N PRO B 101 -3.147 -8.072 -1.606 1.00 0.00 N ATOM 2571 CA PRO B 101 -3.914 -9.323 -1.464 1.00 0.00 C ATOM 2572 C PRO B 101 -3.475 -10.434 -2.414 1.00 0.00 C ATOM 2573 O PRO B 101 -3.912 -11.572 -2.288 1.00 0.00 O ATOM 2574 CB PRO B 101 -5.355 -8.904 -1.776 1.00 0.00 C ATOM 2575 CG PRO B 101 -5.224 -7.647 -2.558 1.00 0.00 C ATOM 2576 CD PRO B 101 -4.022 -6.952 -1.998 1.00 0.00 C ATOM 0 HA PRO B 101 -3.772 -9.748 -0.470 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.876 -9.673 -2.347 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -5.927 -8.744 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -5.097 -7.857 -3.620 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.116 -7.029 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -3.547 -6.308 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.279 -6.323 -1.146 1.00 0.00 H new ATOM 2584 N LYS B 102 -2.632 -10.118 -3.376 1.00 0.00 N ATOM 2585 CA LYS B 102 -2.173 -11.127 -4.315 1.00 0.00 C ATOM 2586 C LYS B 102 -0.809 -11.683 -3.918 1.00 0.00 C ATOM 2587 O LYS B 102 -0.484 -12.832 -4.220 1.00 0.00 O ATOM 2588 CB LYS B 102 -2.172 -10.566 -5.731 1.00 0.00 C ATOM 2589 CG LYS B 102 -3.582 -10.373 -6.267 1.00 0.00 C ATOM 2590 CD LYS B 102 -3.912 -8.902 -6.492 1.00 0.00 C ATOM 2591 CE LYS B 102 -2.977 -8.256 -7.504 1.00 0.00 C ATOM 2592 NZ LYS B 102 -3.344 -6.836 -7.768 1.00 0.00 N ATOM 0 H LYS B 102 -2.253 -9.183 -3.529 1.00 0.00 H new ATOM 0 HA LYS B 102 -2.868 -11.966 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -1.646 -9.612 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -1.623 -11.241 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -3.690 -10.916 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -4.298 -10.802 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -4.941 -8.810 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.846 -8.367 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -1.953 -8.304 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -3.006 -8.819 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.610 -6.391 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -4.255 -6.800 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.424 -6.325 -6.866 1.00 0.00 H new ATOM 2606 N PHE B 103 -0.020 -10.881 -3.219 1.00 0.00 N ATOM 2607 CA PHE B 103 1.293 -11.315 -2.779 1.00 0.00 C ATOM 2608 C PHE B 103 1.237 -11.715 -1.318 1.00 0.00 C ATOM 2609 O PHE B 103 2.128 -12.390 -0.819 1.00 0.00 O ATOM 2610 CB PHE B 103 2.324 -10.212 -3.012 1.00 0.00 C ATOM 2611 CG PHE B 103 2.475 -9.857 -4.464 1.00 0.00 C ATOM 2612 CD1 PHE B 103 3.042 -10.754 -5.354 1.00 0.00 C ATOM 2613 CD2 PHE B 103 2.036 -8.632 -4.942 1.00 0.00 C ATOM 2614 CE1 PHE B 103 3.171 -10.435 -6.694 1.00 0.00 C ATOM 2615 CE2 PHE B 103 2.161 -8.309 -6.279 1.00 0.00 C ATOM 2616 CZ PHE B 103 2.729 -9.211 -7.156 1.00 0.00 C ATOM 0 H PHE B 103 -0.267 -9.930 -2.946 1.00 0.00 H new ATOM 0 HA PHE B 103 1.599 -12.184 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE B 103 2.031 -9.323 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE B 103 3.289 -10.533 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE B 103 3.387 -11.713 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE B 103 1.591 -7.922 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE B 103 3.617 -11.142 -7.378 1.00 0.00 H new ATOM 0 HE2 PHE B 103 1.815 -7.351 -6.638 1.00 0.00 H new ATOM 0 HZ PHE B 103 2.828 -8.960 -8.202 1.00 0.00 H new ATOM 2626 N LYS B 104 0.138 -11.345 -0.674 1.00 0.00 N ATOM 2627 CA LYS B 104 -0.101 -11.625 0.738 1.00 0.00 C ATOM 2628 C LYS B 104 0.128 -13.099 1.057 1.00 0.00 C ATOM 2629 O LYS B 104 -0.668 -13.960 0.674 1.00 0.00 O ATOM 2630 CB LYS B 104 -1.546 -11.251 1.067 1.00 0.00 C ATOM 2631 CG LYS B 104 -1.782 -10.802 2.495 1.00 0.00 C ATOM 2632 CD LYS B 104 -3.257 -10.515 2.717 1.00 0.00 C ATOM 2633 CE LYS B 104 -3.513 -9.798 4.029 1.00 0.00 C ATOM 2634 NZ LYS B 104 -4.931 -9.360 4.136 1.00 0.00 N ATOM 0 H LYS B 104 -0.623 -10.835 -1.122 1.00 0.00 H new ATOM 0 HA LYS B 104 0.596 -11.040 1.338 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -1.861 -10.453 0.394 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -2.184 -12.111 0.862 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -1.446 -11.574 3.187 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -1.194 -9.908 2.705 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -3.635 -9.908 1.894 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -3.813 -11.452 2.703 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -3.270 -10.459 4.861 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -2.855 -8.932 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -5.000 -8.570 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -5.270 -9.051 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -5.515 -10.152 4.472 1.00 0.00 H new