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 14 LYS NZ :NH3+ -177:sc= 0.94 (180deg=-0.511) USER MOD Set 1.2: B 81 ASN : amide:sc= -1.38 K(o=0.82,f=-13!) USER MOD Set 1.3: B 83 SER OG : rot -88:sc= 1.26 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.056) USER MOD Set 2.2: B 75 THR OG1 : rot 140:sc= 0 USER MOD Set 3.1: B 54 LYS NZ :NH3+ -160:sc= 1.28 (180deg=-0.398!) USER MOD Set 3.2: B 66 GLN : amide:sc= 1.25 K(o=2.8,f=-14!) USER MOD Set 3.3: B 74 THR OG1 : rot 33:sc= 0.278 USER MOD Set 3.4: B 76 ASN : amide:sc= -0.056! C(o=2.8!,f=-10!) USER MOD Set 4.1: A 409 SER OG : rot -90:sc= 0.0127 USER MOD Set 4.2: A 410 GLN : amide:sc= -0.643! C(o=-0.63!,f=-0.83!) USER MOD Set 5.1: A 404 SER OG : rot -87:sc= 0.344 USER MOD Set 5.2: B 97 GLN :FLIP amide:sc= -0.534 F(o=-2!,f=0.11) USER MOD Set 5.3: B 98 GLN : amide:sc= 0.303 K(o=0.11,f=-2.5!) USER MOD Single : A 397 MET CE :methyl -138:sc= -0.122 (180deg=-2.64!) USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 44:sc= 1.23 USER MOD Single : A 417 GLN : amide:sc= 1.1 K(o=1.1,f=-8.1!) USER MOD Single : A 418 MET CE :methyl -166:sc= -4.11! (180deg=-4.67!) USER MOD Single : A 419 THR OG1 : rot 154:sc= 0.603 USER MOD Single : A 423 LYS NZ :NH3+ 178:sc= -3.91! (180deg=-3.98!) USER MOD Single : A 426 TYR OH : rot 180:sc= -1.95! USER MOD Single : A 429 MET CE :methyl 145:sc= -5.9! (180deg=-11.5!) USER MOD Single : A 431 GLN : amide:sc= 0.0932 K(o=0.093,f=-0.89) USER MOD Single : A 433 MET CE :methyl 164:sc= -0.236 (180deg=-0.667) USER MOD Single : B 13 LYS NZ :NH3+ 162:sc= 1.25! (180deg=-0.119) USER MOD Single : B 17 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.4!) USER MOD Single : B 18 LYS NZ :NH3+ -169:sc= -1.35 (180deg=-1.76) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.0268 F(o=-1.4!,f=-0.027) USER MOD Single : B 25 TYR OH : rot 32:sc= 1.29 USER MOD Single : B 27 MET CE :methyl -127:sc= -2.63 (180deg=-8.7!) USER MOD Single : B 38 LYS NZ :NH3+ -131:sc= 2.06 (180deg=-1.51) USER MOD Single : B 42 THR OG1 : rot -140:sc= -1.24 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -162:sc= -0.0671 (180deg=-0.45) USER MOD Single : B 47 TYR OH : rot 136:sc= 0.927 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot -38:sc= 0.0122 USER MOD Single : B 53 GLN :FLIP amide:sc= -1.32 F(o=-2.8,f=-1.3) USER MOD Single : B 56 SER OG : rot 63:sc= 1.35 USER MOD Single : B 60 LYS NZ :NH3+ -170:sc= -3.77! (180deg=-5.53!) USER MOD Single : B 62 LYS NZ :NH3+ -105:sc= 0.841 (180deg=-1.64) USER MOD Single : B 64 GLN :FLIP amide:sc= -5.73! C(o=-7.7!,f=-5.7!) USER MOD Single : B 70 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-8.3!) USER MOD Single : B 78 HIS :FLIP no HD1:sc= -0.238 F(o=-1.5!,f=-0.24) USER MOD Single : B 80 SER OG : rot -69:sc= -0.309 USER MOD Single : B 84 THR OG1 : rot 66:sc= 0.512 USER MOD Single : B 87 LYS NZ :NH3+ -144:sc= -0.498 (180deg=-2.87) USER MOD Single : B 93 LYS NZ :NH3+ 145:sc= 2.4 (180deg=-0.732) USER MOD Single : B 102 LYS NZ :NH3+ 147:sc=-0.00215 (180deg=-0.489) USER MOD Single : B 104 LYS NZ :NH3+ -175:sc= 2.44 (180deg=1.77!) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 382 8.310 12.447 12.182 1.00 0.00 N ATOM 59 CA GLU A 382 7.573 11.224 12.480 1.00 0.00 C ATOM 60 C GLU A 382 6.486 10.989 11.437 1.00 0.00 C ATOM 61 O GLU A 382 5.710 11.893 11.112 1.00 0.00 O ATOM 62 CB GLU A 382 6.942 11.289 13.877 1.00 0.00 C ATOM 63 CG GLU A 382 6.919 12.680 14.499 1.00 0.00 C ATOM 64 CD GLU A 382 6.137 13.692 13.676 1.00 0.00 C ATOM 65 OE1 GLU A 382 4.897 13.594 13.622 1.00 0.00 O ATOM 66 OE2 GLU A 382 6.774 14.578 13.055 1.00 0.00 O ATOM 0 HA GLU A 382 8.280 10.394 12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 382 5.920 10.915 13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 382 7.489 10.618 14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 382 6.483 12.618 15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 382 7.943 13.034 14.620 1.00 0.00 H new ATOM 73 N GLU A 383 6.427 9.779 10.916 1.00 0.00 N ATOM 74 CA GLU A 383 5.449 9.447 9.901 1.00 0.00 C ATOM 75 C GLU A 383 4.359 8.517 10.435 1.00 0.00 C ATOM 76 O GLU A 383 4.292 7.346 10.066 1.00 0.00 O ATOM 77 CB GLU A 383 6.132 8.816 8.686 1.00 0.00 C ATOM 78 CG GLU A 383 7.520 9.367 8.381 1.00 0.00 C ATOM 79 CD GLU A 383 8.633 8.580 9.053 1.00 0.00 C ATOM 80 OE1 GLU A 383 8.443 8.128 10.207 1.00 0.00 O ATOM 81 OE2 GLU A 383 9.712 8.425 8.441 1.00 0.00 O ATOM 0 H GLU A 383 7.044 9.011 11.179 1.00 0.00 H new ATOM 0 HA GLU A 383 4.968 10.378 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 383 6.210 7.741 8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 383 5.497 8.962 7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 383 7.678 9.361 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 383 7.571 10.407 8.705 1.00 0.00 H new ATOM 88 N ASP A 384 3.508 9.057 11.304 1.00 0.00 N ATOM 89 CA ASP A 384 2.382 8.311 11.879 1.00 0.00 C ATOM 90 C ASP A 384 1.574 9.237 12.775 1.00 0.00 C ATOM 91 O ASP A 384 1.113 8.854 13.848 1.00 0.00 O ATOM 92 CB ASP A 384 2.855 7.090 12.678 1.00 0.00 C ATOM 93 CG ASP A 384 1.909 5.907 12.538 1.00 0.00 C ATOM 94 OD1 ASP A 384 0.752 6.100 12.106 1.00 0.00 O ATOM 95 OD2 ASP A 384 2.322 4.768 12.844 1.00 0.00 O ATOM 0 H ASP A 384 3.576 10.021 11.631 1.00 0.00 H new ATOM 0 HA ASP A 384 1.762 7.945 11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 384 3.849 6.799 12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 384 2.943 7.359 13.731 1.00 0.00 H new ATOM 100 N ASP A 385 1.406 10.467 12.312 1.00 0.00 N ATOM 101 CA ASP A 385 0.687 11.489 13.064 1.00 0.00 C ATOM 102 C ASP A 385 -0.684 11.801 12.459 1.00 0.00 C ATOM 103 O ASP A 385 -1.463 12.542 13.051 1.00 0.00 O ATOM 104 CB ASP A 385 1.531 12.771 13.133 1.00 0.00 C ATOM 105 CG ASP A 385 1.879 13.337 11.761 1.00 0.00 C ATOM 106 OD1 ASP A 385 1.952 12.562 10.781 1.00 0.00 O ATOM 107 OD2 ASP A 385 2.071 14.569 11.651 1.00 0.00 O ATOM 0 H ASP A 385 1.761 10.785 11.410 1.00 0.00 H new ATOM 0 HA ASP A 385 0.517 11.098 14.067 1.00 0.00 H new ATOM 0 HB2 ASP A 385 0.988 13.525 13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 385 2.452 12.563 13.677 1.00 0.00 H new ATOM 112 N GLU A 386 -0.974 11.230 11.292 1.00 0.00 N ATOM 113 CA GLU A 386 -2.243 11.442 10.598 1.00 0.00 C ATOM 114 C GLU A 386 -2.261 10.543 9.389 1.00 0.00 C ATOM 115 O GLU A 386 -2.118 10.993 8.253 1.00 0.00 O ATOM 116 CB GLU A 386 -2.409 12.889 10.149 1.00 0.00 C ATOM 117 CG GLU A 386 -3.397 13.699 10.971 1.00 0.00 C ATOM 118 CD GLU A 386 -3.535 15.121 10.463 1.00 0.00 C ATOM 119 OE1 GLU A 386 -2.640 15.947 10.757 1.00 0.00 O ATOM 120 OE2 GLU A 386 -4.517 15.406 9.758 1.00 0.00 O ATOM 0 H GLU A 386 -0.335 10.606 10.800 1.00 0.00 H new ATOM 0 HA GLU A 386 -3.062 11.214 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -1.437 13.381 10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.731 12.897 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -4.371 13.211 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -3.073 13.717 12.012 1.00 0.00 H new ATOM 127 N PHE A 387 -2.379 9.268 9.651 1.00 0.00 N ATOM 128 CA PHE A 387 -2.366 8.274 8.601 1.00 0.00 C ATOM 129 C PHE A 387 -3.638 7.447 8.611 1.00 0.00 C ATOM 130 O PHE A 387 -4.213 7.184 9.664 1.00 0.00 O ATOM 131 CB PHE A 387 -1.160 7.332 8.765 1.00 0.00 C ATOM 132 CG PHE A 387 0.184 7.934 8.438 1.00 0.00 C ATOM 133 CD1 PHE A 387 0.538 9.182 8.917 1.00 0.00 C ATOM 134 CD2 PHE A 387 1.097 7.243 7.653 1.00 0.00 C ATOM 135 CE1 PHE A 387 1.758 9.728 8.621 1.00 0.00 C ATOM 136 CE2 PHE A 387 2.322 7.791 7.359 1.00 0.00 C ATOM 137 CZ PHE A 387 2.647 9.034 7.842 1.00 0.00 C ATOM 0 H PHE A 387 -2.486 8.887 10.591 1.00 0.00 H new ATOM 0 HA PHE A 387 -2.294 8.805 7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -1.138 6.975 9.795 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -1.313 6.460 8.128 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -0.157 9.733 9.533 1.00 0.00 H new ATOM 0 HD2 PHE A 387 0.842 6.266 7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 387 2.020 10.705 9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 387 3.027 7.245 6.750 1.00 0.00 H new ATOM 0 HZ PHE A 387 3.608 9.467 7.607 1.00 0.00 H new ATOM 147 N GLU A 388 -4.046 7.032 7.425 1.00 0.00 N ATOM 148 CA GLU A 388 -5.222 6.211 7.251 1.00 0.00 C ATOM 149 C GLU A 388 -4.753 4.796 7.040 1.00 0.00 C ATOM 150 O GLU A 388 -3.896 4.565 6.182 1.00 0.00 O ATOM 151 CB GLU A 388 -6.027 6.649 6.021 1.00 0.00 C ATOM 152 CG GLU A 388 -6.534 8.075 6.077 1.00 0.00 C ATOM 153 CD GLU A 388 -7.764 8.232 6.948 1.00 0.00 C ATOM 154 OE1 GLU A 388 -7.712 7.833 8.130 1.00 0.00 O ATOM 155 OE2 GLU A 388 -8.782 8.751 6.445 1.00 0.00 O ATOM 0 H GLU A 388 -3.566 7.258 6.554 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.863 6.303 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.404 6.533 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.878 5.979 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.742 8.722 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.765 8.413 5.067 1.00 0.00 H new ATOM 162 N GLU A 389 -5.255 3.864 7.826 1.00 0.00 N ATOM 163 CA GLU A 389 -4.859 2.483 7.656 1.00 0.00 C ATOM 164 C GLU A 389 -5.321 2.025 6.281 1.00 0.00 C ATOM 165 O GLU A 389 -6.514 1.810 6.056 1.00 0.00 O ATOM 166 CB GLU A 389 -5.478 1.605 8.749 1.00 0.00 C ATOM 167 CG GLU A 389 -4.614 0.418 9.148 1.00 0.00 C ATOM 168 CD GLU A 389 -3.466 0.814 10.057 1.00 0.00 C ATOM 169 OE1 GLU A 389 -3.713 1.528 11.052 1.00 0.00 O ATOM 170 OE2 GLU A 389 -2.316 0.416 9.776 1.00 0.00 O ATOM 0 H GLU A 389 -5.926 4.034 8.575 1.00 0.00 H new ATOM 0 HA GLU A 389 -3.776 2.394 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -5.666 2.218 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -6.445 1.239 8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -5.233 -0.324 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -4.216 -0.055 8.250 1.00 0.00 H new ATOM 177 N VAL A 390 -4.386 1.894 5.354 1.00 0.00 N ATOM 178 CA VAL A 390 -4.732 1.482 4.017 1.00 0.00 C ATOM 179 C VAL A 390 -4.920 -0.016 3.986 1.00 0.00 C ATOM 180 O VAL A 390 -4.008 -0.772 4.331 1.00 0.00 O ATOM 181 CB VAL A 390 -3.682 1.830 2.947 1.00 0.00 C ATOM 182 CG1 VAL A 390 -4.285 1.696 1.558 1.00 0.00 C ATOM 183 CG2 VAL A 390 -3.126 3.214 3.137 1.00 0.00 C ATOM 0 H VAL A 390 -3.392 2.067 5.507 1.00 0.00 H new ATOM 0 HA VAL A 390 -5.643 2.030 3.775 1.00 0.00 H new ATOM 0 HB VAL A 390 -2.857 1.125 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -3.533 1.945 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -4.624 0.671 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.131 2.376 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -2.389 3.420 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -3.934 3.943 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -2.652 3.284 4.116 1.00 0.00 H new ATOM 193 N ALA A 391 -6.080 -0.444 3.562 1.00 0.00 N ATOM 194 CA ALA A 391 -6.369 -1.848 3.481 1.00 0.00 C ATOM 195 C ALA A 391 -5.980 -2.361 2.113 1.00 0.00 C ATOM 196 O ALA A 391 -6.177 -1.677 1.111 1.00 0.00 O ATOM 197 CB ALA A 391 -7.843 -2.107 3.754 1.00 0.00 C ATOM 0 H ALA A 391 -6.843 0.165 3.266 1.00 0.00 H new ATOM 0 HA ALA A 391 -5.791 -2.378 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -8.043 -3.177 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -8.096 -1.751 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.448 -1.579 3.017 1.00 0.00 H new ATOM 203 N ASP A 392 -5.342 -3.513 2.102 1.00 0.00 N ATOM 204 CA ASP A 392 -4.942 -4.187 0.882 1.00 0.00 C ATOM 205 C ASP A 392 -6.182 -4.555 0.083 1.00 0.00 C ATOM 206 O ASP A 392 -6.702 -5.667 0.168 1.00 0.00 O ATOM 207 CB ASP A 392 -4.118 -5.434 1.214 1.00 0.00 C ATOM 208 CG ASP A 392 -4.556 -6.133 2.490 1.00 0.00 C ATOM 209 OD1 ASP A 392 -4.498 -5.505 3.575 1.00 0.00 O ATOM 210 OD2 ASP A 392 -4.925 -7.323 2.426 1.00 0.00 O ATOM 0 H ASP A 392 -5.083 -4.015 2.951 1.00 0.00 H new ATOM 0 HA ASP A 392 -4.320 -3.522 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -4.187 -6.136 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -3.069 -5.152 1.306 1.00 0.00 H new ATOM 215 N ASP A 393 -6.646 -3.589 -0.680 1.00 0.00 N ATOM 216 CA ASP A 393 -7.846 -3.725 -1.474 1.00 0.00 C ATOM 217 C ASP A 393 -7.552 -4.252 -2.868 1.00 0.00 C ATOM 218 O ASP A 393 -6.809 -3.640 -3.628 1.00 0.00 O ATOM 219 CB ASP A 393 -8.517 -2.367 -1.566 1.00 0.00 C ATOM 220 CG ASP A 393 -10.020 -2.471 -1.710 1.00 0.00 C ATOM 221 OD1 ASP A 393 -10.677 -3.000 -0.791 1.00 0.00 O ATOM 222 OD2 ASP A 393 -10.557 -2.024 -2.744 1.00 0.00 O ATOM 0 H ASP A 393 -6.195 -2.678 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 393 -8.502 -4.449 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 393 -8.280 -1.787 -0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 393 -8.111 -1.822 -2.418 1.00 0.00 H new ATOM 227 N PRO A 394 -8.118 -5.412 -3.211 1.00 0.00 N ATOM 228 CA PRO A 394 -7.941 -6.027 -4.521 1.00 0.00 C ATOM 229 C PRO A 394 -8.766 -5.343 -5.606 1.00 0.00 C ATOM 230 O PRO A 394 -9.505 -4.392 -5.350 1.00 0.00 O ATOM 231 CB PRO A 394 -8.436 -7.467 -4.320 1.00 0.00 C ATOM 232 CG PRO A 394 -8.623 -7.617 -2.854 1.00 0.00 C ATOM 233 CD PRO A 394 -8.940 -6.246 -2.342 1.00 0.00 C ATOM 0 HA PRO A 394 -6.906 -5.956 -4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 394 -9.370 -7.640 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 394 -7.712 -8.188 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 394 -9.431 -8.314 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -7.723 -8.012 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -10.000 -6.010 -2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -8.675 -6.129 -1.291 1.00 0.00 H new ATOM 241 N ILE A 395 -8.662 -5.876 -6.807 1.00 0.00 N ATOM 242 CA ILE A 395 -9.371 -5.337 -7.955 1.00 0.00 C ATOM 243 C ILE A 395 -10.479 -6.294 -8.381 1.00 0.00 C ATOM 244 O ILE A 395 -10.223 -7.457 -8.691 1.00 0.00 O ATOM 245 CB ILE A 395 -8.400 -5.082 -9.139 1.00 0.00 C ATOM 246 CG1 ILE A 395 -7.598 -3.801 -8.899 1.00 0.00 C ATOM 247 CG2 ILE A 395 -9.140 -4.994 -10.469 1.00 0.00 C ATOM 248 CD1 ILE A 395 -8.442 -2.543 -8.947 1.00 0.00 C ATOM 0 H ILE A 395 -8.087 -6.692 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 395 -9.813 -4.383 -7.667 1.00 0.00 H new ATOM 0 HB ILE A 395 -7.718 -5.931 -9.194 1.00 0.00 H new ATOM 0 HG12 ILE A 395 -7.109 -3.864 -7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 395 -6.810 -3.729 -9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 395 -8.425 -4.815 -11.272 1.00 0.00 H new ATOM 0 HG22 ILE A 395 -9.667 -5.930 -10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 395 -9.858 -4.174 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 395 -7.809 -1.673 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 395 -8.910 -2.456 -9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 395 -9.214 -2.593 -8.179 1.00 0.00 H new ATOM 260 N VAL A 396 -11.704 -5.796 -8.375 1.00 0.00 N ATOM 261 CA VAL A 396 -12.864 -6.582 -8.757 1.00 0.00 C ATOM 262 C VAL A 396 -13.600 -5.884 -9.894 1.00 0.00 C ATOM 263 O VAL A 396 -13.965 -4.712 -9.791 1.00 0.00 O ATOM 264 CB VAL A 396 -13.809 -6.832 -7.551 1.00 0.00 C ATOM 265 CG1 VAL A 396 -13.840 -5.637 -6.617 1.00 0.00 C ATOM 266 CG2 VAL A 396 -15.213 -7.206 -8.004 1.00 0.00 C ATOM 0 H VAL A 396 -11.922 -4.837 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 396 -12.522 -7.559 -9.099 1.00 0.00 H new ATOM 0 HB VAL A 396 -13.406 -7.680 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 396 -14.511 -5.844 -5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 396 -12.836 -5.446 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 396 -14.195 -4.761 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 396 -15.844 -7.373 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 396 -15.629 -6.397 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 396 -15.172 -8.117 -8.602 1.00 0.00 H new ATOM 276 N MET A 397 -13.809 -6.602 -10.981 1.00 0.00 N ATOM 277 CA MET A 397 -14.463 -6.040 -12.139 1.00 0.00 C ATOM 278 C MET A 397 -15.952 -6.300 -12.074 1.00 0.00 C ATOM 279 O MET A 397 -16.384 -7.395 -11.728 1.00 0.00 O ATOM 280 CB MET A 397 -13.872 -6.631 -13.419 1.00 0.00 C ATOM 281 CG MET A 397 -12.354 -6.731 -13.392 1.00 0.00 C ATOM 282 SD MET A 397 -11.656 -7.264 -14.966 1.00 0.00 S ATOM 283 CE MET A 397 -11.643 -5.716 -15.863 1.00 0.00 C ATOM 0 H MET A 397 -13.533 -7.579 -11.083 1.00 0.00 H new ATOM 0 HA MET A 397 -14.299 -4.963 -12.148 1.00 0.00 H new ATOM 0 HB2 MET A 397 -14.292 -7.624 -13.580 1.00 0.00 H new ATOM 0 HB3 MET A 397 -14.173 -6.017 -14.267 1.00 0.00 H new ATOM 0 HG2 MET A 397 -11.936 -5.760 -13.125 1.00 0.00 H new ATOM 0 HG3 MET A 397 -12.055 -7.432 -12.612 1.00 0.00 H new ATOM 0 HE1 MET A 397 -11.973 -5.887 -16.888 1.00 0.00 H new ATOM 0 HE2 MET A 397 -12.316 -5.009 -15.378 1.00 0.00 H new ATOM 0 HE3 MET A 397 -10.632 -5.308 -15.870 1.00 0.00 H new ATOM 293 N VAL A 398 -16.723 -5.270 -12.366 1.00 0.00 N ATOM 294 CA VAL A 398 -18.163 -5.370 -12.366 1.00 0.00 C ATOM 295 C VAL A 398 -18.698 -4.936 -13.719 1.00 0.00 C ATOM 296 O VAL A 398 -18.530 -3.777 -14.115 1.00 0.00 O ATOM 297 CB VAL A 398 -18.803 -4.507 -11.269 1.00 0.00 C ATOM 298 CG1 VAL A 398 -20.314 -4.585 -11.369 1.00 0.00 C ATOM 299 CG2 VAL A 398 -18.334 -4.948 -9.892 1.00 0.00 C ATOM 0 H VAL A 398 -16.367 -4.345 -12.608 1.00 0.00 H new ATOM 0 HA VAL A 398 -18.422 -6.410 -12.166 1.00 0.00 H new ATOM 0 HB VAL A 398 -18.492 -3.472 -11.413 1.00 0.00 H new ATOM 0 HG11 VAL A 398 -20.763 -3.971 -10.588 1.00 0.00 H new ATOM 0 HG12 VAL A 398 -20.633 -4.221 -12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 398 -20.634 -5.620 -11.245 1.00 0.00 H new ATOM 0 HG21 VAL A 398 -18.800 -4.322 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 398 -18.614 -5.989 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 398 -17.250 -4.850 -9.828 1.00 0.00 H new ATOM 309 N ALA A 399 -19.319 -5.871 -14.422 1.00 0.00 N ATOM 310 CA ALA A 399 -19.868 -5.629 -15.745 1.00 0.00 C ATOM 311 C ALA A 399 -18.742 -5.283 -16.711 1.00 0.00 C ATOM 312 O ALA A 399 -18.940 -4.560 -17.688 1.00 0.00 O ATOM 313 CB ALA A 399 -20.926 -4.530 -15.708 1.00 0.00 C ATOM 0 H ALA A 399 -19.456 -6.825 -14.087 1.00 0.00 H new ATOM 0 HA ALA A 399 -20.360 -6.536 -16.095 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.320 -4.370 -16.712 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -21.737 -4.828 -15.043 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.478 -3.606 -15.342 1.00 0.00 H new ATOM 319 N GLY A 400 -17.547 -5.794 -16.413 1.00 0.00 N ATOM 320 CA GLY A 400 -16.398 -5.538 -17.258 1.00 0.00 C ATOM 321 C GLY A 400 -15.609 -4.322 -16.811 1.00 0.00 C ATOM 322 O GLY A 400 -14.474 -4.116 -17.237 1.00 0.00 O ATOM 0 H GLY A 400 -17.358 -6.381 -15.600 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -15.746 -6.412 -17.254 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -16.732 -5.393 -18.286 1.00 0.00 H new ATOM 326 N ARG A 401 -16.210 -3.519 -15.945 1.00 0.00 N ATOM 327 CA ARG A 401 -15.559 -2.318 -15.437 1.00 0.00 C ATOM 328 C ARG A 401 -14.717 -2.664 -14.214 1.00 0.00 C ATOM 329 O ARG A 401 -15.243 -3.138 -13.208 1.00 0.00 O ATOM 330 CB ARG A 401 -16.600 -1.258 -15.073 1.00 0.00 C ATOM 331 CG ARG A 401 -17.586 -0.954 -16.190 1.00 0.00 C ATOM 332 CD ARG A 401 -18.882 -0.378 -15.641 1.00 0.00 C ATOM 333 NE ARG A 401 -19.559 -1.319 -14.747 1.00 0.00 N ATOM 334 CZ ARG A 401 -20.728 -1.083 -14.149 1.00 0.00 C ATOM 335 NH1 ARG A 401 -21.354 0.073 -14.328 1.00 0.00 N ATOM 336 NH2 ARG A 401 -21.272 -2.006 -13.368 1.00 0.00 N ATOM 0 H ARG A 401 -17.149 -3.677 -15.578 1.00 0.00 H new ATOM 0 HA ARG A 401 -14.912 -1.915 -16.216 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -17.153 -1.592 -14.195 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -16.086 -0.338 -14.795 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -17.139 -0.248 -16.890 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -17.798 -1.866 -16.749 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -18.670 0.546 -15.103 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -19.545 -0.121 -16.468 1.00 0.00 H new ATOM 0 HE ARG A 401 -19.106 -2.216 -14.569 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -20.942 0.789 -14.926 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -22.247 0.246 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -20.797 -2.897 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -22.166 -1.825 -12.911 1.00 0.00 H new ATOM 350 N PRO A 402 -13.401 -2.444 -14.288 1.00 0.00 N ATOM 351 CA PRO A 402 -12.489 -2.754 -13.189 1.00 0.00 C ATOM 352 C PRO A 402 -12.559 -1.762 -12.034 1.00 0.00 C ATOM 353 O PRO A 402 -12.141 -0.611 -12.156 1.00 0.00 O ATOM 354 CB PRO A 402 -11.111 -2.701 -13.848 1.00 0.00 C ATOM 355 CG PRO A 402 -11.268 -1.755 -14.989 1.00 0.00 C ATOM 356 CD PRO A 402 -12.695 -1.879 -15.454 1.00 0.00 C ATOM 0 HA PRO A 402 -12.737 -3.713 -12.734 1.00 0.00 H new ATOM 0 HB2 PRO A 402 -10.351 -2.353 -13.148 1.00 0.00 H new ATOM 0 HB3 PRO A 402 -10.799 -3.687 -14.192 1.00 0.00 H new ATOM 0 HG2 PRO A 402 -11.048 -0.733 -14.679 1.00 0.00 H new ATOM 0 HG3 PRO A 402 -10.575 -2.000 -15.794 1.00 0.00 H new ATOM 0 HD2 PRO A 402 -13.107 -0.911 -15.740 1.00 0.00 H new ATOM 0 HD3 PRO A 402 -12.776 -2.530 -16.324 1.00 0.00 H new ATOM 364 N PHE A 403 -13.110 -2.215 -10.921 1.00 0.00 N ATOM 365 CA PHE A 403 -13.204 -1.398 -9.723 1.00 0.00 C ATOM 366 C PHE A 403 -12.398 -2.062 -8.620 1.00 0.00 C ATOM 367 O PHE A 403 -11.879 -3.160 -8.804 1.00 0.00 O ATOM 368 CB PHE A 403 -14.655 -1.265 -9.249 1.00 0.00 C ATOM 369 CG PHE A 403 -15.613 -0.697 -10.260 1.00 0.00 C ATOM 370 CD1 PHE A 403 -15.515 0.621 -10.674 1.00 0.00 C ATOM 371 CD2 PHE A 403 -16.628 -1.486 -10.780 1.00 0.00 C ATOM 372 CE1 PHE A 403 -16.410 1.140 -11.592 1.00 0.00 C ATOM 373 CE2 PHE A 403 -17.526 -0.971 -11.693 1.00 0.00 C ATOM 374 CZ PHE A 403 -17.417 0.343 -12.100 1.00 0.00 C ATOM 0 H PHE A 403 -13.502 -3.151 -10.822 1.00 0.00 H new ATOM 0 HA PHE A 403 -12.821 -0.404 -9.953 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -15.013 -2.249 -8.947 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -14.673 -0.633 -8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -14.732 1.250 -10.276 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -16.717 -2.516 -10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -16.321 2.168 -11.911 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -18.313 -1.596 -12.088 1.00 0.00 H new ATOM 0 HZ PHE A 403 -18.118 0.748 -12.815 1.00 0.00 H new ATOM 384 N SER A 404 -12.273 -1.404 -7.491 1.00 0.00 N ATOM 385 CA SER A 404 -11.577 -1.992 -6.364 1.00 0.00 C ATOM 386 C SER A 404 -12.617 -2.617 -5.440 1.00 0.00 C ATOM 387 O SER A 404 -13.810 -2.353 -5.584 1.00 0.00 O ATOM 388 CB SER A 404 -10.734 -0.946 -5.637 1.00 0.00 C ATOM 389 OG SER A 404 -9.674 -0.488 -6.461 1.00 0.00 O ATOM 0 H SER A 404 -12.641 -0.467 -7.326 1.00 0.00 H new ATOM 0 HA SER A 404 -10.887 -2.762 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 404 -11.363 -0.105 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 404 -10.328 -1.373 -4.720 1.00 0.00 H new ATOM 0 HG SER A 404 -8.902 -1.083 -6.361 1.00 0.00 H new ATOM 395 N TYR A 405 -12.181 -3.435 -4.503 1.00 0.00 N ATOM 396 CA TYR A 405 -13.094 -4.111 -3.588 1.00 0.00 C ATOM 397 C TYR A 405 -13.875 -3.103 -2.751 1.00 0.00 C ATOM 398 O TYR A 405 -15.104 -3.170 -2.677 1.00 0.00 O ATOM 399 CB TYR A 405 -12.333 -5.083 -2.683 1.00 0.00 C ATOM 400 CG TYR A 405 -13.213 -5.798 -1.680 1.00 0.00 C ATOM 401 CD1 TYR A 405 -13.838 -6.992 -2.006 1.00 0.00 C ATOM 402 CD2 TYR A 405 -13.426 -5.270 -0.411 1.00 0.00 C ATOM 403 CE1 TYR A 405 -14.650 -7.642 -1.098 1.00 0.00 C ATOM 404 CE2 TYR A 405 -14.239 -5.914 0.501 1.00 0.00 C ATOM 405 CZ TYR A 405 -14.849 -7.099 0.153 1.00 0.00 C ATOM 406 OH TYR A 405 -15.661 -7.742 1.059 1.00 0.00 O ATOM 0 H TYR A 405 -11.196 -3.652 -4.351 1.00 0.00 H new ATOM 0 HA TYR A 405 -13.806 -4.681 -4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 405 -11.829 -5.824 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 405 -11.558 -4.535 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 405 -13.687 -7.420 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 405 -12.948 -4.342 -0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 405 -15.127 -8.573 -1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -14.396 -5.491 1.482 1.00 0.00 H new ATOM 0 HH TYR A 405 -15.693 -7.227 1.892 1.00 0.00 H new ATOM 416 N SER A 406 -13.164 -2.167 -2.139 1.00 0.00 N ATOM 417 CA SER A 406 -13.790 -1.139 -1.318 1.00 0.00 C ATOM 418 C SER A 406 -14.615 -0.197 -2.188 1.00 0.00 C ATOM 419 O SER A 406 -15.517 0.482 -1.707 1.00 0.00 O ATOM 420 CB SER A 406 -12.730 -0.358 -0.538 1.00 0.00 C ATOM 421 OG SER A 406 -12.112 -1.181 0.435 1.00 0.00 O ATOM 0 H SER A 406 -12.148 -2.098 -2.196 1.00 0.00 H new ATOM 0 HA SER A 406 -14.456 -1.623 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 406 -11.977 0.028 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 406 -13.190 0.503 -0.053 1.00 0.00 H new ATOM 0 HG SER A 406 -11.905 -2.054 0.041 1.00 0.00 H new ATOM 427 N GLU A 407 -14.320 -0.200 -3.476 1.00 0.00 N ATOM 428 CA GLU A 407 -15.021 0.636 -4.431 1.00 0.00 C ATOM 429 C GLU A 407 -16.359 -0.012 -4.766 1.00 0.00 C ATOM 430 O GLU A 407 -17.428 0.611 -4.676 1.00 0.00 O ATOM 431 CB GLU A 407 -14.165 0.796 -5.692 1.00 0.00 C ATOM 432 CG GLU A 407 -13.128 1.908 -5.601 1.00 0.00 C ATOM 433 CD GLU A 407 -13.750 3.270 -5.376 1.00 0.00 C ATOM 434 OE1 GLU A 407 -14.141 3.565 -4.230 1.00 0.00 O ATOM 435 OE2 GLU A 407 -13.882 4.040 -6.348 1.00 0.00 O ATOM 0 H GLU A 407 -13.589 -0.781 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 407 -15.202 1.624 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -13.655 -0.146 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -14.820 0.993 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -12.437 1.689 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -12.541 1.928 -6.519 1.00 0.00 H new ATOM 442 N VAL A 408 -16.278 -1.286 -5.116 1.00 0.00 N ATOM 443 CA VAL A 408 -17.440 -2.082 -5.462 1.00 0.00 C ATOM 444 C VAL A 408 -18.418 -2.155 -4.289 1.00 0.00 C ATOM 445 O VAL A 408 -19.631 -2.115 -4.478 1.00 0.00 O ATOM 446 CB VAL A 408 -17.011 -3.509 -5.880 1.00 0.00 C ATOM 447 CG1 VAL A 408 -18.205 -4.429 -6.018 1.00 0.00 C ATOM 448 CG2 VAL A 408 -16.228 -3.483 -7.179 1.00 0.00 C ATOM 0 H VAL A 408 -15.397 -1.798 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 408 -17.941 -1.601 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 408 -16.369 -3.896 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 408 -17.867 -5.422 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 408 -18.728 -4.492 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 408 -18.881 -4.036 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 408 -15.939 -4.498 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 408 -16.848 -3.059 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 408 -15.334 -2.873 -7.053 1.00 0.00 H new ATOM 458 N SER A 409 -17.878 -2.230 -3.078 1.00 0.00 N ATOM 459 CA SER A 409 -18.704 -2.315 -1.878 1.00 0.00 C ATOM 460 C SER A 409 -19.361 -0.977 -1.557 1.00 0.00 C ATOM 461 O SER A 409 -20.440 -0.935 -0.968 1.00 0.00 O ATOM 462 CB SER A 409 -17.866 -2.782 -0.688 1.00 0.00 C ATOM 463 OG SER A 409 -16.586 -2.181 -0.697 1.00 0.00 O ATOM 0 H SER A 409 -16.874 -2.234 -2.901 1.00 0.00 H new ATOM 0 HA SER A 409 -19.493 -3.042 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 409 -18.380 -2.536 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 409 -17.762 -3.867 -0.717 1.00 0.00 H new ATOM 0 HG SER A 409 -15.964 -2.743 -1.205 1.00 0.00 H new ATOM 469 N GLN A 410 -18.705 0.115 -1.946 1.00 0.00 N ATOM 470 CA GLN A 410 -19.238 1.448 -1.692 1.00 0.00 C ATOM 471 C GLN A 410 -20.507 1.682 -2.496 1.00 0.00 C ATOM 472 O GLN A 410 -21.406 2.394 -2.053 1.00 0.00 O ATOM 473 CB GLN A 410 -18.209 2.533 -2.027 1.00 0.00 C ATOM 474 CG GLN A 410 -17.188 2.794 -0.927 1.00 0.00 C ATOM 475 CD GLN A 410 -17.644 2.319 0.439 1.00 0.00 C ATOM 476 OE1 GLN A 410 -18.312 3.043 1.174 1.00 0.00 O ATOM 477 NE2 GLN A 410 -17.271 1.098 0.792 1.00 0.00 N ATOM 0 H GLN A 410 -17.810 0.102 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 410 -19.471 1.508 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -17.680 2.247 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -18.736 3.462 -2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -16.253 2.297 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -16.979 3.863 -0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -16.717 0.529 0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -17.538 0.727 1.704 1.00 0.00 H new ATOM 486 N ARG A 411 -20.572 1.096 -3.686 1.00 0.00 N ATOM 487 CA ARG A 411 -21.755 1.257 -4.527 1.00 0.00 C ATOM 488 C ARG A 411 -22.574 -0.029 -4.578 1.00 0.00 C ATOM 489 O ARG A 411 -22.215 -0.991 -5.274 1.00 0.00 O ATOM 490 CB ARG A 411 -21.390 1.677 -5.957 1.00 0.00 C ATOM 491 CG ARG A 411 -20.708 3.031 -6.062 1.00 0.00 C ATOM 492 CD ARG A 411 -19.243 2.916 -5.705 1.00 0.00 C ATOM 493 NE ARG A 411 -18.425 3.981 -6.273 1.00 0.00 N ATOM 494 CZ ARG A 411 -17.168 4.201 -5.897 1.00 0.00 C ATOM 495 NH1 ARG A 411 -16.670 3.534 -4.867 1.00 0.00 N ATOM 496 NH2 ARG A 411 -16.420 5.099 -6.522 1.00 0.00 N ATOM 0 H ARG A 411 -19.835 0.515 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 411 -22.351 2.049 -4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 411 -20.735 0.920 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 411 -22.298 1.694 -6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 411 -20.812 3.419 -7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 411 -21.196 3.743 -5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 411 -19.139 2.927 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 411 -18.866 1.954 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 411 -18.834 4.582 -6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 411 -17.249 2.858 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 411 -15.707 3.696 -4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 411 -16.807 5.631 -7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 411 -15.458 5.258 -6.224 1.00 0.00 H new ATOM 510 N PRO A 412 -23.690 -0.070 -3.834 1.00 0.00 N ATOM 511 CA PRO A 412 -24.584 -1.222 -3.825 1.00 0.00 C ATOM 512 C PRO A 412 -25.093 -1.534 -5.230 1.00 0.00 C ATOM 513 O PRO A 412 -25.422 -2.678 -5.540 1.00 0.00 O ATOM 514 CB PRO A 412 -25.739 -0.798 -2.907 1.00 0.00 C ATOM 515 CG PRO A 412 -25.618 0.684 -2.775 1.00 0.00 C ATOM 516 CD PRO A 412 -24.158 0.995 -2.934 1.00 0.00 C ATOM 0 HA PRO A 412 -24.087 -2.128 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -26.702 -1.077 -3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -25.668 -1.286 -1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -26.211 1.193 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -25.986 1.021 -1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -24.000 1.985 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -23.634 0.975 -1.978 1.00 0.00 H new ATOM 524 N GLU A 413 -25.131 -0.508 -6.084 1.00 0.00 N ATOM 525 CA GLU A 413 -25.577 -0.674 -7.459 1.00 0.00 C ATOM 526 C GLU A 413 -24.540 -1.469 -8.229 1.00 0.00 C ATOM 527 O GLU A 413 -24.874 -2.230 -9.126 1.00 0.00 O ATOM 528 CB GLU A 413 -25.792 0.672 -8.160 1.00 0.00 C ATOM 529 CG GLU A 413 -26.202 1.802 -7.238 1.00 0.00 C ATOM 530 CD GLU A 413 -25.004 2.559 -6.712 1.00 0.00 C ATOM 531 OE1 GLU A 413 -24.482 3.430 -7.433 1.00 0.00 O ATOM 532 OE2 GLU A 413 -24.568 2.256 -5.588 1.00 0.00 O ATOM 0 H GLU A 413 -24.857 0.444 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 413 -26.532 -1.200 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -24.871 0.953 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -26.557 0.550 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -26.859 2.488 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -26.774 1.400 -6.402 1.00 0.00 H new ATOM 539 N LEU A 414 -23.274 -1.290 -7.866 1.00 0.00 N ATOM 540 CA LEU A 414 -22.192 -2.007 -8.521 1.00 0.00 C ATOM 541 C LEU A 414 -22.344 -3.493 -8.271 1.00 0.00 C ATOM 542 O LEU A 414 -22.310 -4.290 -9.197 1.00 0.00 O ATOM 543 CB LEU A 414 -20.824 -1.533 -8.028 1.00 0.00 C ATOM 544 CG LEU A 414 -20.377 -0.164 -8.545 1.00 0.00 C ATOM 545 CD1 LEU A 414 -18.896 0.042 -8.279 1.00 0.00 C ATOM 546 CD2 LEU A 414 -20.672 -0.022 -10.030 1.00 0.00 C ATOM 0 H LEU A 414 -22.975 -0.657 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 414 -22.249 -1.804 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -20.840 -1.503 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -20.077 -2.273 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 414 -20.940 0.602 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -18.592 1.020 -8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -18.708 -0.012 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -18.324 -0.734 -8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -20.345 0.959 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -20.139 -0.796 -10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -21.744 -0.128 -10.200 1.00 0.00 H new ATOM 558 N VAL A 415 -22.556 -3.859 -7.016 1.00 0.00 N ATOM 559 CA VAL A 415 -22.726 -5.267 -6.659 1.00 0.00 C ATOM 560 C VAL A 415 -24.049 -5.785 -7.227 1.00 0.00 C ATOM 561 O VAL A 415 -24.228 -6.987 -7.452 1.00 0.00 O ATOM 562 CB VAL A 415 -22.669 -5.461 -5.120 1.00 0.00 C ATOM 563 CG1 VAL A 415 -23.029 -6.880 -4.710 1.00 0.00 C ATOM 564 CG2 VAL A 415 -21.286 -5.111 -4.596 1.00 0.00 C ATOM 0 H VAL A 415 -22.615 -3.210 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 415 -21.907 -5.841 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 415 -23.408 -4.790 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 415 -22.976 -6.970 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 415 -24.041 -7.110 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 415 -22.329 -7.579 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 415 -21.260 -5.251 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 415 -20.545 -5.759 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 415 -21.060 -4.071 -4.832 1.00 0.00 H new ATOM 574 N ALA A 416 -24.956 -4.856 -7.494 1.00 0.00 N ATOM 575 CA ALA A 416 -26.255 -5.179 -8.058 1.00 0.00 C ATOM 576 C ALA A 416 -26.156 -5.360 -9.571 1.00 0.00 C ATOM 577 O ALA A 416 -26.997 -6.015 -10.185 1.00 0.00 O ATOM 578 CB ALA A 416 -27.248 -4.083 -7.722 1.00 0.00 C ATOM 0 H ALA A 416 -24.811 -3.860 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 416 -26.601 -6.118 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -28.221 -4.330 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -27.338 -3.993 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -26.900 -3.137 -8.137 1.00 0.00 H new ATOM 584 N GLN A 417 -25.114 -4.785 -10.163 1.00 0.00 N ATOM 585 CA GLN A 417 -24.891 -4.882 -11.596 1.00 0.00 C ATOM 586 C GLN A 417 -23.848 -5.943 -11.843 1.00 0.00 C ATOM 587 O GLN A 417 -23.586 -6.333 -12.979 1.00 0.00 O ATOM 588 CB GLN A 417 -24.408 -3.549 -12.179 1.00 0.00 C ATOM 589 CG GLN A 417 -25.417 -2.419 -12.074 1.00 0.00 C ATOM 590 CD GLN A 417 -24.946 -1.146 -12.751 1.00 0.00 C ATOM 591 OE1 GLN A 417 -23.745 -0.877 -12.840 1.00 0.00 O ATOM 592 NE2 GLN A 417 -25.889 -0.352 -13.232 1.00 0.00 N ATOM 0 H GLN A 417 -24.407 -4.244 -9.665 1.00 0.00 H new ATOM 0 HA GLN A 417 -25.832 -5.139 -12.083 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -23.493 -3.252 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -24.153 -3.696 -13.228 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -26.359 -2.736 -12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -25.617 -2.213 -11.022 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -26.871 -0.611 -13.138 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -25.634 0.519 -13.697 1.00 0.00 H new ATOM 601 N MET A 418 -23.252 -6.397 -10.752 1.00 0.00 N ATOM 602 CA MET A 418 -22.236 -7.403 -10.809 1.00 0.00 C ATOM 603 C MET A 418 -22.901 -8.753 -10.962 1.00 0.00 C ATOM 604 O MET A 418 -23.854 -9.095 -10.245 1.00 0.00 O ATOM 605 CB MET A 418 -21.341 -7.324 -9.567 1.00 0.00 C ATOM 606 CG MET A 418 -21.446 -8.498 -8.620 1.00 0.00 C ATOM 607 SD MET A 418 -20.727 -8.134 -7.010 1.00 0.00 S ATOM 608 CE MET A 418 -19.114 -7.535 -7.507 1.00 0.00 C ATOM 0 H MET A 418 -23.467 -6.071 -9.810 1.00 0.00 H new ATOM 0 HA MET A 418 -21.586 -7.245 -11.669 1.00 0.00 H new ATOM 0 HB2 MET A 418 -20.305 -7.231 -9.891 1.00 0.00 H new ATOM 0 HB3 MET A 418 -21.586 -6.414 -9.020 1.00 0.00 H new ATOM 0 HG2 MET A 418 -22.494 -8.770 -8.496 1.00 0.00 H new ATOM 0 HG3 MET A 418 -20.942 -9.361 -9.055 1.00 0.00 H new ATOM 0 HE1 MET A 418 -18.455 -7.501 -6.639 1.00 0.00 H new ATOM 0 HE2 MET A 418 -18.692 -8.205 -8.256 1.00 0.00 H new ATOM 0 HE3 MET A 418 -19.211 -6.534 -7.928 1.00 0.00 H new ATOM 618 N THR A 419 -22.398 -9.494 -11.905 1.00 0.00 N ATOM 619 CA THR A 419 -22.927 -10.814 -12.232 1.00 0.00 C ATOM 620 C THR A 419 -22.621 -11.802 -11.113 1.00 0.00 C ATOM 621 O THR A 419 -21.895 -11.464 -10.182 1.00 0.00 O ATOM 622 CB THR A 419 -22.331 -11.338 -13.556 1.00 0.00 C ATOM 623 OG1 THR A 419 -20.934 -11.608 -13.400 1.00 0.00 O ATOM 624 CG2 THR A 419 -22.535 -10.333 -14.682 1.00 0.00 C ATOM 0 H THR A 419 -21.605 -9.211 -12.480 1.00 0.00 H new ATOM 0 HA THR A 419 -24.007 -10.719 -12.347 1.00 0.00 H new ATOM 0 HB THR A 419 -22.850 -12.261 -13.815 1.00 0.00 H new ATOM 0 HG1 THR A 419 -20.661 -12.299 -14.039 1.00 0.00 H new ATOM 0 HG21 THR A 419 -22.106 -10.727 -15.603 1.00 0.00 H new ATOM 0 HG22 THR A 419 -23.601 -10.158 -14.824 1.00 0.00 H new ATOM 0 HG23 THR A 419 -22.044 -9.394 -14.425 1.00 0.00 H new ATOM 632 N PRO A 420 -23.213 -13.012 -11.142 1.00 0.00 N ATOM 633 CA PRO A 420 -22.932 -14.037 -10.133 1.00 0.00 C ATOM 634 C PRO A 420 -21.431 -14.287 -10.031 1.00 0.00 C ATOM 635 O PRO A 420 -20.863 -14.290 -8.942 1.00 0.00 O ATOM 636 CB PRO A 420 -23.660 -15.274 -10.662 1.00 0.00 C ATOM 637 CG PRO A 420 -24.755 -14.728 -11.512 1.00 0.00 C ATOM 638 CD PRO A 420 -24.212 -13.469 -12.127 1.00 0.00 C ATOM 0 HA PRO A 420 -23.259 -13.754 -9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -22.990 -15.912 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -24.055 -15.881 -9.847 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -25.046 -15.444 -12.281 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -25.644 -14.520 -10.917 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -23.759 -13.660 -13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -24.995 -12.726 -12.280 1.00 0.00 H new ATOM 646 N GLU A 421 -20.790 -14.446 -11.187 1.00 0.00 N ATOM 647 CA GLU A 421 -19.349 -14.667 -11.247 1.00 0.00 C ATOM 648 C GLU A 421 -18.619 -13.535 -10.533 1.00 0.00 C ATOM 649 O GLU A 421 -17.728 -13.774 -9.719 1.00 0.00 O ATOM 650 CB GLU A 421 -18.853 -14.744 -12.698 1.00 0.00 C ATOM 651 CG GLU A 421 -19.754 -15.542 -13.629 1.00 0.00 C ATOM 652 CD GLU A 421 -20.918 -14.721 -14.140 1.00 0.00 C ATOM 653 OE1 GLU A 421 -20.691 -13.804 -14.952 1.00 0.00 O ATOM 654 OE2 GLU A 421 -22.055 -14.971 -13.697 1.00 0.00 O ATOM 0 H GLU A 421 -21.249 -14.426 -12.098 1.00 0.00 H new ATOM 0 HA GLU A 421 -19.140 -15.618 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 421 -18.753 -13.732 -13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 421 -17.858 -15.189 -12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 421 -19.169 -15.906 -14.474 1.00 0.00 H new ATOM 0 HG3 GLU A 421 -20.133 -16.418 -13.103 1.00 0.00 H new ATOM 661 N GLU A 422 -19.014 -12.301 -10.836 1.00 0.00 N ATOM 662 CA GLU A 422 -18.413 -11.125 -10.233 1.00 0.00 C ATOM 663 C GLU A 422 -18.742 -11.054 -8.742 1.00 0.00 C ATOM 664 O GLU A 422 -17.886 -10.724 -7.926 1.00 0.00 O ATOM 665 CB GLU A 422 -18.899 -9.887 -10.980 1.00 0.00 C ATOM 666 CG GLU A 422 -18.440 -9.871 -12.429 1.00 0.00 C ATOM 667 CD GLU A 422 -18.949 -8.678 -13.200 1.00 0.00 C ATOM 668 OE1 GLU A 422 -20.023 -8.145 -12.845 1.00 0.00 O ATOM 669 OE2 GLU A 422 -18.273 -8.260 -14.165 1.00 0.00 O ATOM 0 H GLU A 422 -19.757 -12.094 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 422 -17.327 -11.180 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -19.988 -9.849 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -18.532 -8.993 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -17.350 -9.877 -12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -18.777 -10.784 -12.920 1.00 0.00 H new ATOM 676 N LYS A 423 -19.992 -11.348 -8.404 1.00 0.00 N ATOM 677 CA LYS A 423 -20.449 -11.370 -7.015 1.00 0.00 C ATOM 678 C LYS A 423 -19.615 -12.321 -6.178 1.00 0.00 C ATOM 679 O LYS A 423 -19.027 -11.921 -5.175 1.00 0.00 O ATOM 680 CB LYS A 423 -21.911 -11.815 -6.956 1.00 0.00 C ATOM 681 CG LYS A 423 -22.536 -11.693 -5.576 1.00 0.00 C ATOM 682 CD LYS A 423 -23.167 -10.329 -5.359 1.00 0.00 C ATOM 683 CE LYS A 423 -24.496 -10.206 -6.087 1.00 0.00 C ATOM 684 NZ LYS A 423 -24.332 -9.722 -7.486 1.00 0.00 N ATOM 0 H LYS A 423 -20.718 -11.578 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 423 -20.345 -10.362 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -22.491 -11.219 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -21.979 -12.852 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -23.293 -12.467 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -21.774 -11.866 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -23.319 -10.163 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -22.486 -9.553 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -24.994 -11.176 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -25.144 -9.520 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -25.261 -9.687 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -23.912 -8.770 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -23.708 -10.371 -8.007 1.00 0.00 H new ATOM 698 N GLU A 424 -19.547 -13.568 -6.616 1.00 0.00 N ATOM 699 CA GLU A 424 -18.805 -14.594 -5.901 1.00 0.00 C ATOM 700 C GLU A 424 -17.334 -14.230 -5.859 1.00 0.00 C ATOM 701 O GLU A 424 -16.634 -14.520 -4.888 1.00 0.00 O ATOM 702 CB GLU A 424 -19.010 -15.961 -6.555 1.00 0.00 C ATOM 703 CG GLU A 424 -20.237 -16.705 -6.038 1.00 0.00 C ATOM 704 CD GLU A 424 -21.543 -15.972 -6.305 1.00 0.00 C ATOM 705 OE1 GLU A 424 -21.888 -15.060 -5.522 1.00 0.00 O ATOM 706 OE2 GLU A 424 -22.225 -16.311 -7.295 1.00 0.00 O ATOM 0 H GLU A 424 -20.000 -13.896 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 424 -19.179 -14.653 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -19.102 -15.829 -7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -18.125 -16.573 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -20.279 -17.689 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -20.131 -16.865 -4.965 1.00 0.00 H new ATOM 713 N ALA A 425 -16.877 -13.582 -6.918 1.00 0.00 N ATOM 714 CA ALA A 425 -15.503 -13.135 -7.005 1.00 0.00 C ATOM 715 C ALA A 425 -15.250 -12.072 -5.944 1.00 0.00 C ATOM 716 O ALA A 425 -14.279 -12.147 -5.198 1.00 0.00 O ATOM 717 CB ALA A 425 -15.224 -12.594 -8.395 1.00 0.00 C ATOM 0 H ALA A 425 -17.445 -13.354 -7.734 1.00 0.00 H new ATOM 0 HA ALA A 425 -14.829 -13.973 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -14.188 -12.259 -8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -15.394 -13.379 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -15.889 -11.755 -8.599 1.00 0.00 H new ATOM 723 N TYR A 426 -16.153 -11.098 -5.873 1.00 0.00 N ATOM 724 CA TYR A 426 -16.069 -10.022 -4.899 1.00 0.00 C ATOM 725 C TYR A 426 -16.155 -10.595 -3.489 1.00 0.00 C ATOM 726 O TYR A 426 -15.388 -10.216 -2.604 1.00 0.00 O ATOM 727 CB TYR A 426 -17.200 -9.014 -5.155 1.00 0.00 C ATOM 728 CG TYR A 426 -17.571 -8.146 -3.971 1.00 0.00 C ATOM 729 CD1 TYR A 426 -16.884 -6.970 -3.699 1.00 0.00 C ATOM 730 CD2 TYR A 426 -18.618 -8.502 -3.128 1.00 0.00 C ATOM 731 CE1 TYR A 426 -17.227 -6.176 -2.620 1.00 0.00 C ATOM 732 CE2 TYR A 426 -18.966 -7.715 -2.049 1.00 0.00 C ATOM 733 CZ TYR A 426 -18.268 -6.555 -1.799 1.00 0.00 C ATOM 734 OH TYR A 426 -18.613 -5.775 -0.719 1.00 0.00 O ATOM 0 H TYR A 426 -16.962 -11.035 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 426 -15.114 -9.506 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 426 -16.908 -8.367 -5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 426 -18.087 -9.561 -5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 426 -16.069 -6.671 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 426 -19.169 -9.411 -3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 426 -16.683 -5.264 -2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 426 -19.782 -8.008 -1.404 1.00 0.00 H new ATOM 0 HH TYR A 426 -19.367 -6.185 -0.247 1.00 0.00 H new ATOM 744 N ILE A 427 -17.084 -11.524 -3.299 1.00 0.00 N ATOM 745 CA ILE A 427 -17.277 -12.167 -2.010 1.00 0.00 C ATOM 746 C ILE A 427 -16.008 -12.911 -1.588 1.00 0.00 C ATOM 747 O ILE A 427 -15.521 -12.747 -0.468 1.00 0.00 O ATOM 748 CB ILE A 427 -18.478 -13.143 -2.043 1.00 0.00 C ATOM 749 CG1 ILE A 427 -19.787 -12.362 -2.201 1.00 0.00 C ATOM 750 CG2 ILE A 427 -18.521 -13.997 -0.781 1.00 0.00 C ATOM 751 CD1 ILE A 427 -20.984 -13.230 -2.533 1.00 0.00 C ATOM 0 H ILE A 427 -17.718 -11.849 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 427 -17.492 -11.388 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 427 -18.356 -13.808 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 427 -19.989 -11.820 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 427 -19.662 -11.617 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 427 -19.374 -14.674 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 427 -17.601 -14.577 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 427 -18.619 -13.352 0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 427 -21.872 -12.605 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 427 -20.805 -13.752 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 427 -21.137 -13.958 -1.737 1.00 0.00 H new ATOM 763 N ALA A 428 -15.463 -13.706 -2.504 1.00 0.00 N ATOM 764 CA ALA A 428 -14.247 -14.466 -2.238 1.00 0.00 C ATOM 765 C ALA A 428 -13.060 -13.532 -2.022 1.00 0.00 C ATOM 766 O ALA A 428 -12.144 -13.838 -1.259 1.00 0.00 O ATOM 767 CB ALA A 428 -13.964 -15.433 -3.381 1.00 0.00 C ATOM 0 H ALA A 428 -15.846 -13.841 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 428 -14.397 -15.042 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -13.053 -15.993 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -14.799 -16.126 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -13.837 -14.874 -4.308 1.00 0.00 H new ATOM 773 N MET A 429 -13.079 -12.390 -2.702 1.00 0.00 N ATOM 774 CA MET A 429 -12.014 -11.406 -2.571 1.00 0.00 C ATOM 775 C MET A 429 -12.003 -10.827 -1.165 1.00 0.00 C ATOM 776 O MET A 429 -10.946 -10.517 -0.628 1.00 0.00 O ATOM 777 CB MET A 429 -12.181 -10.285 -3.597 1.00 0.00 C ATOM 778 CG MET A 429 -11.601 -10.613 -4.960 1.00 0.00 C ATOM 779 SD MET A 429 -11.887 -9.297 -6.157 1.00 0.00 S ATOM 780 CE MET A 429 -11.667 -7.854 -5.120 1.00 0.00 C ATOM 0 H MET A 429 -13.821 -12.124 -3.349 1.00 0.00 H new ATOM 0 HA MET A 429 -11.063 -11.906 -2.758 1.00 0.00 H new ATOM 0 HB2 MET A 429 -13.242 -10.061 -3.708 1.00 0.00 H new ATOM 0 HB3 MET A 429 -11.703 -9.382 -3.216 1.00 0.00 H new ATOM 0 HG2 MET A 429 -10.529 -10.788 -4.864 1.00 0.00 H new ATOM 0 HG3 MET A 429 -12.043 -11.539 -5.328 1.00 0.00 H new ATOM 0 HE1 MET A 429 -11.203 -7.056 -5.700 1.00 0.00 H new ATOM 0 HE2 MET A 429 -12.637 -7.519 -4.753 1.00 0.00 H new ATOM 0 HE3 MET A 429 -11.027 -8.107 -4.275 1.00 0.00 H new ATOM 790 N GLY A 430 -13.184 -10.701 -0.572 1.00 0.00 N ATOM 791 CA GLY A 430 -13.291 -10.173 0.769 1.00 0.00 C ATOM 792 C GLY A 430 -12.727 -11.138 1.780 1.00 0.00 C ATOM 793 O GLY A 430 -12.057 -10.735 2.728 1.00 0.00 O ATOM 0 H GLY A 430 -14.073 -10.958 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -12.760 -9.223 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -14.336 -9.969 1.000 1.00 0.00 H new ATOM 797 N GLN A 431 -12.987 -12.423 1.551 1.00 0.00 N ATOM 798 CA GLN A 431 -12.502 -13.486 2.424 1.00 0.00 C ATOM 799 C GLN A 431 -10.981 -13.426 2.544 1.00 0.00 C ATOM 800 O GLN A 431 -10.424 -13.689 3.606 1.00 0.00 O ATOM 801 CB GLN A 431 -12.940 -14.851 1.877 1.00 0.00 C ATOM 802 CG GLN A 431 -12.367 -16.037 2.638 1.00 0.00 C ATOM 803 CD GLN A 431 -12.772 -16.053 4.100 1.00 0.00 C ATOM 804 OE1 GLN A 431 -13.871 -15.631 4.461 1.00 0.00 O ATOM 805 NE2 GLN A 431 -11.881 -16.529 4.952 1.00 0.00 N ATOM 0 H GLN A 431 -13.537 -12.754 0.759 1.00 0.00 H new ATOM 0 HA GLN A 431 -12.930 -13.348 3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -14.028 -14.908 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -12.641 -14.925 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -12.699 -16.961 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -11.279 -16.016 2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -10.981 -16.869 4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -12.093 -16.556 5.949 1.00 0.00 H new ATOM 814 N ARG A 432 -10.333 -13.020 1.458 1.00 0.00 N ATOM 815 CA ARG A 432 -8.880 -12.918 1.395 1.00 0.00 C ATOM 816 C ARG A 432 -8.334 -12.017 2.502 1.00 0.00 C ATOM 817 O ARG A 432 -7.322 -12.326 3.127 1.00 0.00 O ATOM 818 CB ARG A 432 -8.482 -12.373 0.026 1.00 0.00 C ATOM 819 CG ARG A 432 -6.987 -12.290 -0.207 1.00 0.00 C ATOM 820 CD ARG A 432 -6.689 -11.961 -1.660 1.00 0.00 C ATOM 821 NE ARG A 432 -7.330 -12.909 -2.572 1.00 0.00 N ATOM 822 CZ ARG A 432 -6.737 -14.012 -3.024 1.00 0.00 C ATOM 823 NH1 ARG A 432 -5.459 -14.241 -2.761 1.00 0.00 N ATOM 824 NH2 ARG A 432 -7.415 -14.881 -3.761 1.00 0.00 N ATOM 0 H ARG A 432 -10.803 -12.751 0.593 1.00 0.00 H new ATOM 0 HA ARG A 432 -8.452 -13.910 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -8.922 -13.005 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -8.911 -11.378 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -6.555 -11.527 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -6.519 -13.237 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -7.034 -10.951 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -5.611 -11.972 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 432 -8.283 -12.714 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -4.924 -13.570 -2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -5.010 -15.088 -3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -8.395 -14.706 -3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -6.957 -15.725 -4.105 1.00 0.00 H new ATOM 838 N MET A 433 -9.010 -10.903 2.735 1.00 0.00 N ATOM 839 CA MET A 433 -8.595 -9.966 3.768 1.00 0.00 C ATOM 840 C MET A 433 -9.302 -10.281 5.078 1.00 0.00 C ATOM 841 O MET A 433 -8.845 -9.902 6.154 1.00 0.00 O ATOM 842 CB MET A 433 -8.897 -8.529 3.338 1.00 0.00 C ATOM 843 CG MET A 433 -8.150 -8.103 2.085 1.00 0.00 C ATOM 844 SD MET A 433 -9.054 -8.483 0.572 1.00 0.00 S ATOM 845 CE MET A 433 -10.435 -7.350 0.708 1.00 0.00 C ATOM 0 H MET A 433 -9.848 -10.625 2.224 1.00 0.00 H new ATOM 0 HA MET A 433 -7.520 -10.066 3.916 1.00 0.00 H new ATOM 0 HB2 MET A 433 -9.968 -8.427 3.165 1.00 0.00 H new ATOM 0 HB3 MET A 433 -8.640 -7.852 4.153 1.00 0.00 H new ATOM 0 HG2 MET A 433 -7.957 -7.031 2.129 1.00 0.00 H new ATOM 0 HG3 MET A 433 -7.180 -8.600 2.058 1.00 0.00 H new ATOM 0 HE1 MET A 433 -10.924 -7.255 -0.261 1.00 0.00 H new ATOM 0 HE2 MET A 433 -11.148 -7.732 1.439 1.00 0.00 H new ATOM 0 HE3 MET A 433 -10.074 -6.373 1.029 1.00 0.00 H new ATOM 855 N PHE A 434 -10.417 -10.989 4.978 1.00 0.00 N ATOM 856 CA PHE A 434 -11.196 -11.363 6.147 1.00 0.00 C ATOM 857 C PHE A 434 -10.459 -12.405 6.983 1.00 0.00 C ATOM 858 O PHE A 434 -10.558 -12.411 8.211 1.00 0.00 O ATOM 859 CB PHE A 434 -12.571 -11.885 5.721 1.00 0.00 C ATOM 860 CG PHE A 434 -13.618 -10.812 5.625 1.00 0.00 C ATOM 861 CD1 PHE A 434 -13.540 -9.674 6.412 1.00 0.00 C ATOM 862 CD2 PHE A 434 -14.678 -10.939 4.742 1.00 0.00 C ATOM 863 CE1 PHE A 434 -14.500 -8.684 6.320 1.00 0.00 C ATOM 864 CE2 PHE A 434 -15.639 -9.954 4.645 1.00 0.00 C ATOM 865 CZ PHE A 434 -15.551 -8.824 5.435 1.00 0.00 C ATOM 0 H PHE A 434 -10.804 -11.317 4.093 1.00 0.00 H new ATOM 0 HA PHE A 434 -11.336 -10.476 6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -12.479 -12.379 4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -12.901 -12.640 6.435 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -12.720 -9.559 7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -14.753 -11.820 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -14.428 -7.802 6.939 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -16.460 -10.066 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 434 -16.302 -8.052 5.361 1.00 0.00 H new ATOM 875 N GLU A 435 -9.698 -13.268 6.322 1.00 0.00 N ATOM 876 CA GLU A 435 -8.938 -14.299 7.019 1.00 0.00 C ATOM 877 C GLU A 435 -7.556 -13.780 7.395 1.00 0.00 C ATOM 878 O GLU A 435 -6.672 -14.537 7.793 1.00 0.00 O ATOM 879 CB GLU A 435 -8.827 -15.567 6.163 1.00 0.00 C ATOM 880 CG GLU A 435 -8.147 -15.352 4.817 1.00 0.00 C ATOM 881 CD GLU A 435 -8.448 -16.462 3.826 1.00 0.00 C ATOM 882 OE1 GLU A 435 -9.456 -17.178 4.018 1.00 0.00 O ATOM 883 OE2 GLU A 435 -7.682 -16.616 2.851 1.00 0.00 O ATOM 0 H GLU A 435 -9.590 -13.275 5.308 1.00 0.00 H new ATOM 0 HA GLU A 435 -9.470 -14.556 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -8.273 -16.322 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -9.827 -15.966 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -8.471 -14.399 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -7.069 -15.285 4.965 1.00 0.00 H new ATOM 890 N ASP A 436 -7.402 -12.473 7.296 1.00 0.00 N ATOM 891 CA ASP A 436 -6.138 -11.816 7.610 1.00 0.00 C ATOM 892 C ASP A 436 -6.283 -10.940 8.850 1.00 0.00 C ATOM 893 O ASP A 436 -5.330 -10.314 9.304 1.00 0.00 O ATOM 894 CB ASP A 436 -5.677 -10.970 6.424 1.00 0.00 C ATOM 895 CG ASP A 436 -4.190 -10.703 6.453 1.00 0.00 C ATOM 896 OD1 ASP A 436 -3.415 -11.672 6.338 1.00 0.00 O ATOM 897 OD2 ASP A 436 -3.794 -9.525 6.571 1.00 0.00 O ATOM 0 H ASP A 436 -8.141 -11.837 6.998 1.00 0.00 H new ATOM 0 HA ASP A 436 -5.391 -12.583 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -5.934 -11.480 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -6.214 -10.022 6.427 1.00 0.00 H new ATOM 1036 N GLU B 7 10.155 -5.727 -13.553 1.00 0.00 N ATOM 1037 CA GLU B 7 9.381 -4.572 -13.988 1.00 0.00 C ATOM 1038 C GLU B 7 9.057 -3.662 -12.812 1.00 0.00 C ATOM 1039 O GLU B 7 8.981 -4.103 -11.662 1.00 0.00 O ATOM 1040 CB GLU B 7 8.086 -4.986 -14.706 1.00 0.00 C ATOM 1041 CG GLU B 7 7.337 -6.137 -14.053 1.00 0.00 C ATOM 1042 CD GLU B 7 7.846 -7.495 -14.490 1.00 0.00 C ATOM 1043 OE1 GLU B 7 8.811 -7.992 -13.870 1.00 0.00 O ATOM 1044 OE2 GLU B 7 7.292 -8.058 -15.450 1.00 0.00 O ATOM 0 HA GLU B 7 9.999 -4.025 -14.700 1.00 0.00 H new ATOM 0 HB2 GLU B 7 7.423 -4.122 -14.758 1.00 0.00 H new ATOM 0 HB3 GLU B 7 8.328 -5.264 -15.732 1.00 0.00 H new ATOM 0 HG2 GLU B 7 7.425 -6.053 -12.970 1.00 0.00 H new ATOM 0 HG3 GLU B 7 6.277 -6.057 -14.294 1.00 0.00 H new ATOM 1051 N VAL B 8 8.873 -2.387 -13.110 1.00 0.00 N ATOM 1052 CA VAL B 8 8.556 -1.398 -12.098 1.00 0.00 C ATOM 1053 C VAL B 8 7.217 -0.753 -12.396 1.00 0.00 C ATOM 1054 O VAL B 8 6.915 -0.415 -13.538 1.00 0.00 O ATOM 1055 CB VAL B 8 9.671 -0.349 -11.983 1.00 0.00 C ATOM 1056 CG1 VAL B 8 9.177 0.936 -11.334 1.00 0.00 C ATOM 1057 CG2 VAL B 8 10.792 -0.955 -11.175 1.00 0.00 C ATOM 0 H VAL B 8 8.939 -2.011 -14.056 1.00 0.00 H new ATOM 0 HA VAL B 8 8.484 -1.900 -11.133 1.00 0.00 H new ATOM 0 HB VAL B 8 10.017 -0.078 -12.980 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.997 1.651 -11.272 1.00 0.00 H new ATOM 0 HG12 VAL B 8 8.371 1.360 -11.933 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.808 0.719 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL B 8 11.601 -0.232 -11.076 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.423 -1.225 -10.185 1.00 0.00 H new ATOM 0 HG23 VAL B 8 11.163 -1.847 -11.679 1.00 0.00 H new ATOM 1067 N LEU B 9 6.420 -0.609 -11.357 1.00 0.00 N ATOM 1068 CA LEU B 9 5.095 -0.037 -11.469 1.00 0.00 C ATOM 1069 C LEU B 9 5.152 1.469 -11.351 1.00 0.00 C ATOM 1070 O LEU B 9 4.569 2.193 -12.155 1.00 0.00 O ATOM 1071 CB LEU B 9 4.204 -0.587 -10.358 1.00 0.00 C ATOM 1072 CG LEU B 9 4.557 -1.994 -9.888 1.00 0.00 C ATOM 1073 CD1 LEU B 9 3.986 -2.256 -8.510 1.00 0.00 C ATOM 1074 CD2 LEU B 9 4.044 -3.017 -10.874 1.00 0.00 C ATOM 0 H LEU B 9 6.674 -0.886 -10.409 1.00 0.00 H new ATOM 0 HA LEU B 9 4.687 -0.303 -12.444 1.00 0.00 H new ATOM 0 HB2 LEU B 9 4.254 0.089 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU B 9 3.171 -0.585 -10.706 1.00 0.00 H new ATOM 0 HG LEU B 9 5.642 -2.077 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.249 -3.265 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU B 9 4.396 -1.535 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU B 9 2.901 -2.157 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU B 9 4.302 -4.018 -10.528 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.961 -2.930 -10.958 1.00 0.00 H new ATOM 0 HD23 LEU B 9 4.498 -2.842 -11.849 1.00 0.00 H new ATOM 1086 N LEU B 10 5.856 1.937 -10.337 1.00 0.00 N ATOM 1087 CA LEU B 10 5.952 3.356 -10.096 1.00 0.00 C ATOM 1088 C LEU B 10 7.321 3.758 -9.573 1.00 0.00 C ATOM 1089 O LEU B 10 7.928 3.053 -8.764 1.00 0.00 O ATOM 1090 CB LEU B 10 4.884 3.746 -9.093 1.00 0.00 C ATOM 1091 CG LEU B 10 4.425 5.195 -9.154 1.00 0.00 C ATOM 1092 CD1 LEU B 10 3.672 5.462 -10.449 1.00 0.00 C ATOM 1093 CD2 LEU B 10 3.557 5.507 -7.951 1.00 0.00 C ATOM 0 H LEU B 10 6.366 1.355 -9.673 1.00 0.00 H new ATOM 0 HA LEU B 10 5.805 3.877 -11.042 1.00 0.00 H new ATOM 0 HB2 LEU B 10 4.017 3.102 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.261 3.545 -8.090 1.00 0.00 H new ATOM 0 HG LEU B 10 5.299 5.847 -9.134 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.351 6.503 -10.475 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.326 5.262 -11.298 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.799 4.812 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.230 6.546 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.686 4.852 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.130 5.348 -7.038 1.00 0.00 H new ATOM 1105 N ILE B 11 7.792 4.896 -10.051 1.00 0.00 N ATOM 1106 CA ILE B 11 9.068 5.453 -9.641 1.00 0.00 C ATOM 1107 C ILE B 11 8.828 6.832 -9.050 1.00 0.00 C ATOM 1108 O ILE B 11 8.582 7.787 -9.786 1.00 0.00 O ATOM 1109 CB ILE B 11 10.042 5.580 -10.834 1.00 0.00 C ATOM 1110 CG1 ILE B 11 10.378 4.201 -11.400 1.00 0.00 C ATOM 1111 CG2 ILE B 11 11.309 6.314 -10.416 1.00 0.00 C ATOM 1112 CD1 ILE B 11 11.176 4.248 -12.685 1.00 0.00 C ATOM 0 H ILE B 11 7.296 5.463 -10.739 1.00 0.00 H new ATOM 0 HA ILE B 11 9.517 4.784 -8.907 1.00 0.00 H new ATOM 0 HB ILE B 11 9.554 6.162 -11.616 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.940 3.639 -10.654 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.451 3.656 -11.578 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.982 6.393 -11.270 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.051 7.313 -10.063 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.802 5.762 -9.615 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.377 3.232 -13.026 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.608 4.781 -13.447 1.00 0.00 H new ATOM 0 HD13 ILE B 11 12.120 4.764 -12.509 1.00 0.00 H new ATOM 1124 N VAL B 12 8.866 6.946 -7.733 1.00 0.00 N ATOM 1125 CA VAL B 12 8.632 8.224 -7.107 1.00 0.00 C ATOM 1126 C VAL B 12 9.922 8.787 -6.558 1.00 0.00 C ATOM 1127 O VAL B 12 10.706 8.071 -5.947 1.00 0.00 O ATOM 1128 CB VAL B 12 7.606 8.111 -5.969 1.00 0.00 C ATOM 1129 CG1 VAL B 12 7.022 9.472 -5.646 1.00 0.00 C ATOM 1130 CG2 VAL B 12 6.515 7.119 -6.326 1.00 0.00 C ATOM 0 H VAL B 12 9.054 6.177 -7.089 1.00 0.00 H new ATOM 0 HA VAL B 12 8.235 8.893 -7.871 1.00 0.00 H new ATOM 0 HB VAL B 12 8.115 7.741 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.297 9.374 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.821 10.147 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.528 9.875 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.799 7.055 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL B 12 6.003 7.451 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.958 6.138 -6.499 1.00 0.00 H new ATOM 1140 N LYS B 13 10.144 10.062 -6.793 1.00 0.00 N ATOM 1141 CA LYS B 13 11.329 10.733 -6.298 1.00 0.00 C ATOM 1142 C LYS B 13 10.907 11.729 -5.237 1.00 0.00 C ATOM 1143 O LYS B 13 9.710 11.961 -5.057 1.00 0.00 O ATOM 1144 CB LYS B 13 12.102 11.425 -7.420 1.00 0.00 C ATOM 1145 CG LYS B 13 12.587 10.476 -8.500 1.00 0.00 C ATOM 1146 CD LYS B 13 13.570 9.446 -7.958 1.00 0.00 C ATOM 1147 CE LYS B 13 14.901 9.482 -8.702 1.00 0.00 C ATOM 1148 NZ LYS B 13 16.011 8.919 -7.886 1.00 0.00 N ATOM 0 H LYS B 13 9.514 10.660 -7.328 1.00 0.00 H new ATOM 0 HA LYS B 13 12.004 9.993 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.465 12.184 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS B 13 12.960 11.944 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.733 9.964 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS B 13 13.063 11.047 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.742 9.631 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.135 8.450 -8.041 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.812 8.919 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS B 13 15.137 10.511 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 16.810 8.679 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 16.317 9.622 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.682 8.062 -7.397 1.00 0.00 H new ATOM 1162 N LYS B 14 11.881 12.296 -4.531 1.00 0.00 N ATOM 1163 CA LYS B 14 11.621 13.250 -3.456 1.00 0.00 C ATOM 1164 C LYS B 14 11.006 12.533 -2.255 1.00 0.00 C ATOM 1165 O LYS B 14 10.458 13.159 -1.345 1.00 0.00 O ATOM 1166 CB LYS B 14 10.687 14.334 -3.965 1.00 0.00 C ATOM 1167 CG LYS B 14 11.372 15.450 -4.735 1.00 0.00 C ATOM 1168 CD LYS B 14 10.507 15.950 -5.888 1.00 0.00 C ATOM 1169 CE LYS B 14 9.981 14.805 -6.753 1.00 0.00 C ATOM 1170 NZ LYS B 14 8.533 14.545 -6.515 1.00 0.00 N ATOM 0 H LYS B 14 12.871 12.108 -4.687 1.00 0.00 H new ATOM 0 HA LYS B 14 12.558 13.706 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS B 14 9.936 13.875 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS B 14 10.158 14.768 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS B 14 11.592 16.277 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS B 14 12.326 15.093 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS B 14 9.666 16.518 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS B 14 11.089 16.633 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS B 14 10.138 15.043 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS B 14 10.551 13.900 -6.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.229 13.729 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.378 14.342 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.980 15.383 -6.788 1.00 0.00 H new ATOM 1184 N VAL B 15 11.097 11.211 -2.281 1.00 0.00 N ATOM 1185 CA VAL B 15 10.569 10.361 -1.218 1.00 0.00 C ATOM 1186 C VAL B 15 11.603 10.208 -0.108 1.00 0.00 C ATOM 1187 O VAL B 15 12.582 9.493 -0.268 1.00 0.00 O ATOM 1188 CB VAL B 15 10.201 8.959 -1.765 1.00 0.00 C ATOM 1189 CG1 VAL B 15 9.267 8.223 -0.827 1.00 0.00 C ATOM 1190 CG2 VAL B 15 9.568 9.065 -3.135 1.00 0.00 C ATOM 0 H VAL B 15 11.540 10.694 -3.041 1.00 0.00 H new ATOM 0 HA VAL B 15 9.671 10.835 -0.822 1.00 0.00 H new ATOM 0 HB VAL B 15 11.128 8.391 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL B 15 9.031 7.244 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL B 15 9.749 8.098 0.143 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.348 8.796 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.318 8.068 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL B 15 8.661 9.666 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.268 9.537 -3.824 1.00 0.00 H new ATOM 1200 N ARG B 16 11.389 10.875 1.011 1.00 0.00 N ATOM 1201 CA ARG B 16 12.323 10.814 2.123 1.00 0.00 C ATOM 1202 C ARG B 16 11.959 9.689 3.083 1.00 0.00 C ATOM 1203 O ARG B 16 10.790 9.419 3.319 1.00 0.00 O ATOM 1204 CB ARG B 16 12.337 12.147 2.879 1.00 0.00 C ATOM 1205 CG ARG B 16 12.380 13.365 1.973 1.00 0.00 C ATOM 1206 CD ARG B 16 12.687 14.633 2.751 1.00 0.00 C ATOM 1207 NE ARG B 16 14.120 14.787 3.006 1.00 0.00 N ATOM 1208 CZ ARG B 16 14.661 14.964 4.210 1.00 0.00 C ATOM 1209 NH1 ARG B 16 13.905 14.946 5.303 1.00 0.00 N ATOM 1210 NH2 ARG B 16 15.973 15.126 4.314 1.00 0.00 N ATOM 0 H ARG B 16 10.575 11.467 1.175 1.00 0.00 H new ATOM 0 HA ARG B 16 13.315 10.617 1.715 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.450 12.206 3.509 1.00 0.00 H new ATOM 0 HB3 ARG B 16 13.201 12.169 3.543 1.00 0.00 H new ATOM 0 HG2 ARG B 16 13.137 13.219 1.202 1.00 0.00 H new ATOM 0 HG3 ARG B 16 11.423 13.473 1.463 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.323 15.497 2.195 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.150 14.615 3.699 1.00 0.00 H new ATOM 0 HE ARG B 16 14.749 14.757 2.204 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.899 14.795 5.225 1.00 0.00 H new ATOM 0 HH12 ARG B 16 14.331 15.083 6.220 1.00 0.00 H new ATOM 0 HH21 ARG B 16 16.556 15.114 3.477 1.00 0.00 H new ATOM 0 HH22 ARG B 16 16.399 15.262 5.231 1.00 0.00 H new ATOM 1224 N GLN B 17 12.965 9.019 3.604 1.00 0.00 N ATOM 1225 CA GLN B 17 12.757 7.953 4.566 1.00 0.00 C ATOM 1226 C GLN B 17 13.505 8.302 5.839 1.00 0.00 C ATOM 1227 O GLN B 17 14.725 8.160 5.904 1.00 0.00 O ATOM 1228 CB GLN B 17 13.226 6.604 4.010 1.00 0.00 C ATOM 1229 CG GLN B 17 13.036 5.441 4.971 1.00 0.00 C ATOM 1230 CD GLN B 17 14.319 5.058 5.685 1.00 0.00 C ATOM 1231 OE1 GLN B 17 15.410 5.159 5.125 1.00 0.00 O ATOM 1232 NE2 GLN B 17 14.198 4.620 6.928 1.00 0.00 N ATOM 0 H GLN B 17 13.944 9.195 3.376 1.00 0.00 H new ATOM 0 HA GLN B 17 11.692 7.857 4.777 1.00 0.00 H new ATOM 0 HB2 GLN B 17 12.683 6.393 3.089 1.00 0.00 H new ATOM 0 HB3 GLN B 17 14.282 6.677 3.748 1.00 0.00 H new ATOM 0 HG2 GLN B 17 12.279 5.705 5.709 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.659 4.578 4.422 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.275 4.551 7.357 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.028 4.352 7.457 1.00 0.00 H new ATOM 1241 N LYS B 18 12.768 8.795 6.825 1.00 0.00 N ATOM 1242 CA LYS B 18 13.341 9.197 8.102 1.00 0.00 C ATOM 1243 C LYS B 18 14.456 10.220 7.906 1.00 0.00 C ATOM 1244 O LYS B 18 15.618 9.970 8.222 1.00 0.00 O ATOM 1245 CB LYS B 18 13.837 7.986 8.900 1.00 0.00 C ATOM 1246 CG LYS B 18 12.749 7.333 9.744 1.00 0.00 C ATOM 1247 CD LYS B 18 12.637 7.964 11.131 1.00 0.00 C ATOM 1248 CE LYS B 18 12.280 9.445 11.071 1.00 0.00 C ATOM 1249 NZ LYS B 18 10.963 9.682 10.425 1.00 0.00 N ATOM 0 H LYS B 18 11.759 8.927 6.762 1.00 0.00 H new ATOM 0 HA LYS B 18 12.549 9.671 8.683 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.244 7.247 8.210 1.00 0.00 H new ATOM 0 HB3 LYS B 18 14.654 8.298 9.551 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.792 7.419 9.229 1.00 0.00 H new ATOM 0 HG3 LYS B 18 12.961 6.269 9.847 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.879 7.434 11.708 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.583 7.843 11.659 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.266 9.854 12.081 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.054 9.981 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 10.846 10.698 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.917 9.158 9.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 10.203 9.356 11.056 1.00 0.00 H new ATOM 1263 N LYS B 19 14.065 11.371 7.369 1.00 0.00 N ATOM 1264 CA LYS B 19 14.967 12.488 7.117 1.00 0.00 C ATOM 1265 C LYS B 19 16.055 12.158 6.094 1.00 0.00 C ATOM 1266 O LYS B 19 17.108 12.795 6.074 1.00 0.00 O ATOM 1267 CB LYS B 19 15.564 12.980 8.437 1.00 0.00 C ATOM 1268 CG LYS B 19 14.515 13.592 9.356 1.00 0.00 C ATOM 1269 CD LYS B 19 14.977 13.667 10.799 1.00 0.00 C ATOM 1270 CE LYS B 19 15.121 12.289 11.427 1.00 0.00 C ATOM 1271 NZ LYS B 19 15.678 12.367 12.804 1.00 0.00 N ATOM 0 H LYS B 19 13.101 11.556 7.093 1.00 0.00 H new ATOM 0 HA LYS B 19 14.380 13.291 6.671 1.00 0.00 H new ATOM 0 HB2 LYS B 19 16.048 12.147 8.947 1.00 0.00 H new ATOM 0 HB3 LYS B 19 16.337 13.720 8.230 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.269 14.594 9.004 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.600 13.002 9.301 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.933 14.188 10.846 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.265 14.256 11.377 1.00 0.00 H new ATOM 0 HE2 LYS B 19 14.148 11.799 11.455 1.00 0.00 H new ATOM 0 HE3 LYS B 19 15.771 11.672 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.762 11.409 13.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.617 12.812 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 15.045 12.935 13.403 1.00 0.00 H new ATOM 1285 N GLN B 20 15.782 11.189 5.227 1.00 0.00 N ATOM 1286 CA GLN B 20 16.717 10.804 4.184 1.00 0.00 C ATOM 1287 C GLN B 20 15.986 10.836 2.849 1.00 0.00 C ATOM 1288 O GLN B 20 15.254 9.910 2.517 1.00 0.00 O ATOM 1289 CB GLN B 20 17.286 9.407 4.460 1.00 0.00 C ATOM 1290 CG GLN B 20 18.233 8.902 3.381 1.00 0.00 C ATOM 1291 CD GLN B 20 18.705 7.479 3.629 1.00 0.00 C ATOM 1292 OE1 GLN B 20 17.889 6.688 4.312 1.00 0.00 O flip ATOM 1293 NE2 GLN B 20 19.795 7.091 3.205 1.00 0.00 N flip ATOM 0 H GLN B 20 14.913 10.654 5.229 1.00 0.00 H new ATOM 0 HA GLN B 20 17.555 11.500 4.161 1.00 0.00 H new ATOM 0 HB2 GLN B 20 17.813 9.422 5.414 1.00 0.00 H new ATOM 0 HB3 GLN B 20 16.460 8.703 4.563 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.733 8.950 2.414 1.00 0.00 H new ATOM 0 HG3 GLN B 20 19.098 9.562 3.326 1.00 0.00 H new ATOM 0 HE21 GLN B 20 20.396 7.729 2.683 1.00 0.00 H new ATOM 0 HE22 GLN B 20 20.096 6.132 3.376 1.00 0.00 H new ATOM 1302 N ASP B 21 16.151 11.921 2.113 1.00 0.00 N ATOM 1303 CA ASP B 21 15.483 12.089 0.825 1.00 0.00 C ATOM 1304 C ASP B 21 15.992 11.108 -0.219 1.00 0.00 C ATOM 1305 O ASP B 21 17.197 10.952 -0.419 1.00 0.00 O ATOM 1306 CB ASP B 21 15.634 13.527 0.314 1.00 0.00 C ATOM 1307 CG ASP B 21 16.914 14.186 0.783 1.00 0.00 C ATOM 1308 OD1 ASP B 21 16.946 14.639 1.951 1.00 0.00 O ATOM 1309 OD2 ASP B 21 17.878 14.249 0.004 1.00 0.00 O ATOM 0 H ASP B 21 16.744 12.705 2.383 1.00 0.00 H new ATOM 0 HA ASP B 21 14.426 11.878 0.989 1.00 0.00 H new ATOM 0 HB2 ASP B 21 15.610 13.525 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP B 21 14.782 14.118 0.650 1.00 0.00 H new ATOM 1314 N GLY B 22 15.055 10.416 -0.850 1.00 0.00 N ATOM 1315 CA GLY B 22 15.387 9.475 -1.875 1.00 0.00 C ATOM 1316 C GLY B 22 14.279 9.257 -2.883 1.00 0.00 C ATOM 1317 O GLY B 22 13.666 10.204 -3.382 1.00 0.00 O ATOM 0 H GLY B 22 14.057 10.499 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.279 9.820 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.638 8.521 -1.412 1.00 0.00 H new ATOM 1321 N ALA B 23 14.012 7.994 -3.148 1.00 0.00 N ATOM 1322 CA ALA B 23 13.025 7.584 -4.113 1.00 0.00 C ATOM 1323 C ALA B 23 12.306 6.336 -3.646 1.00 0.00 C ATOM 1324 O ALA B 23 12.903 5.464 -3.018 1.00 0.00 O ATOM 1325 CB ALA B 23 13.707 7.304 -5.430 1.00 0.00 C ATOM 0 H ALA B 23 14.485 7.215 -2.689 1.00 0.00 H new ATOM 0 HA ALA B 23 12.294 8.384 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.965 6.993 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA B 23 14.208 8.207 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA B 23 14.442 6.510 -5.298 1.00 0.00 H new ATOM 1331 N LEU B 24 11.037 6.238 -3.985 1.00 0.00 N ATOM 1332 CA LEU B 24 10.239 5.099 -3.599 1.00 0.00 C ATOM 1333 C LEU B 24 9.879 4.326 -4.867 1.00 0.00 C ATOM 1334 O LEU B 24 9.090 4.795 -5.689 1.00 0.00 O ATOM 1335 CB LEU B 24 8.983 5.576 -2.870 1.00 0.00 C ATOM 1336 CG LEU B 24 8.463 4.648 -1.773 1.00 0.00 C ATOM 1337 CD1 LEU B 24 6.997 4.921 -1.495 1.00 0.00 C ATOM 1338 CD2 LEU B 24 8.689 3.193 -2.124 1.00 0.00 C ATOM 0 H LEU B 24 10.536 6.940 -4.530 1.00 0.00 H new ATOM 0 HA LEU B 24 10.791 4.448 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.189 6.551 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.191 5.720 -3.605 1.00 0.00 H new ATOM 0 HG LEU B 24 9.028 4.854 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.644 4.251 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.874 5.954 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.417 4.754 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.307 2.562 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.167 2.957 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.756 3.011 -2.252 1.00 0.00 H new ATOM 1350 N TYR B 25 10.482 3.163 -5.033 1.00 0.00 N ATOM 1351 CA TYR B 25 10.258 2.345 -6.219 1.00 0.00 C ATOM 1352 C TYR B 25 9.309 1.179 -5.964 1.00 0.00 C ATOM 1353 O TYR B 25 9.573 0.332 -5.108 1.00 0.00 O ATOM 1354 CB TYR B 25 11.585 1.767 -6.711 1.00 0.00 C ATOM 1355 CG TYR B 25 12.361 2.662 -7.641 1.00 0.00 C ATOM 1356 CD1 TYR B 25 12.852 3.884 -7.213 1.00 0.00 C ATOM 1357 CD2 TYR B 25 12.619 2.268 -8.945 1.00 0.00 C ATOM 1358 CE1 TYR B 25 13.579 4.692 -8.059 1.00 0.00 C ATOM 1359 CE2 TYR B 25 13.341 3.069 -9.802 1.00 0.00 C ATOM 1360 CZ TYR B 25 13.824 4.283 -9.354 1.00 0.00 C ATOM 1361 OH TYR B 25 14.552 5.090 -10.196 1.00 0.00 O ATOM 0 H TYR B 25 11.134 2.759 -4.360 1.00 0.00 H new ATOM 0 HA TYR B 25 9.807 3.002 -6.963 1.00 0.00 H new ATOM 0 HB2 TYR B 25 12.208 1.539 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR B 25 11.387 0.823 -7.219 1.00 0.00 H new ATOM 0 HD1 TYR B 25 12.662 4.208 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR B 25 12.247 1.316 -9.295 1.00 0.00 H new ATOM 0 HE1 TYR B 25 13.956 5.642 -7.710 1.00 0.00 H new ATOM 0 HE2 TYR B 25 13.528 2.750 -10.817 1.00 0.00 H new ATOM 0 HH TYR B 25 15.213 5.593 -9.676 1.00 0.00 H new ATOM 1371 N LEU B 26 8.207 1.128 -6.704 1.00 0.00 N ATOM 1372 CA LEU B 26 7.291 0.004 -6.586 1.00 0.00 C ATOM 1373 C LEU B 26 7.601 -0.953 -7.702 1.00 0.00 C ATOM 1374 O LEU B 26 7.347 -0.641 -8.867 1.00 0.00 O ATOM 1375 CB LEU B 26 5.815 0.372 -6.728 1.00 0.00 C ATOM 1376 CG LEU B 26 5.367 1.654 -6.077 1.00 0.00 C ATOM 1377 CD1 LEU B 26 3.919 1.925 -6.442 1.00 0.00 C ATOM 1378 CD2 LEU B 26 5.508 1.582 -4.574 1.00 0.00 C ATOM 0 H LEU B 26 7.931 1.840 -7.381 1.00 0.00 H new ATOM 0 HA LEU B 26 7.433 -0.407 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.581 0.431 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.221 -0.444 -6.316 1.00 0.00 H new ATOM 0 HG LEU B 26 6.000 2.464 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.593 2.853 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.827 2.015 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU B 26 3.296 1.102 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.177 2.522 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.897 0.765 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.552 1.407 -4.314 1.00 0.00 H new ATOM 1390 N MET B 27 8.167 -2.088 -7.381 1.00 0.00 N ATOM 1391 CA MET B 27 8.459 -3.058 -8.402 1.00 0.00 C ATOM 1392 C MET B 27 7.306 -4.013 -8.515 1.00 0.00 C ATOM 1393 O MET B 27 6.434 -4.034 -7.646 1.00 0.00 O ATOM 1394 CB MET B 27 9.756 -3.824 -8.128 1.00 0.00 C ATOM 1395 CG MET B 27 10.995 -3.186 -8.725 1.00 0.00 C ATOM 1396 SD MET B 27 12.359 -3.100 -7.553 1.00 0.00 S ATOM 1397 CE MET B 27 11.820 -1.722 -6.549 1.00 0.00 C ATOM 0 H MET B 27 8.431 -2.360 -6.434 1.00 0.00 H new ATOM 0 HA MET B 27 8.602 -2.524 -9.342 1.00 0.00 H new ATOM 0 HB2 MET B 27 9.891 -3.913 -7.050 1.00 0.00 H new ATOM 0 HB3 MET B 27 9.657 -4.836 -8.522 1.00 0.00 H new ATOM 0 HG2 MET B 27 11.307 -3.756 -9.600 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.752 -2.181 -9.069 1.00 0.00 H new ATOM 0 HE1 MET B 27 12.615 -0.978 -6.496 1.00 0.00 H new ATOM 0 HE2 MET B 27 10.932 -1.273 -6.994 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.585 -2.074 -5.545 1.00 0.00 H new ATOM 1407 N ALA B 28 7.346 -4.822 -9.557 1.00 0.00 N ATOM 1408 CA ALA B 28 6.291 -5.767 -9.870 1.00 0.00 C ATOM 1409 C ALA B 28 5.675 -6.438 -8.637 1.00 0.00 C ATOM 1410 O ALA B 28 4.458 -6.420 -8.457 1.00 0.00 O ATOM 1411 CB ALA B 28 6.810 -6.828 -10.820 1.00 0.00 C ATOM 0 H ALA B 28 8.122 -4.841 -10.218 1.00 0.00 H new ATOM 0 HA ALA B 28 5.495 -5.188 -10.339 1.00 0.00 H new ATOM 0 HB1 ALA B 28 6.011 -7.533 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.153 -6.356 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA B 28 7.640 -7.359 -10.354 1.00 0.00 H new ATOM 1417 N GLU B 29 6.517 -7.021 -7.797 1.00 0.00 N ATOM 1418 CA GLU B 29 6.053 -7.713 -6.602 1.00 0.00 C ATOM 1419 C GLU B 29 6.824 -7.286 -5.356 1.00 0.00 C ATOM 1420 O GLU B 29 6.689 -7.904 -4.295 1.00 0.00 O ATOM 1421 CB GLU B 29 6.200 -9.229 -6.793 1.00 0.00 C ATOM 1422 CG GLU B 29 7.070 -9.632 -7.984 1.00 0.00 C ATOM 1423 CD GLU B 29 8.547 -9.320 -7.797 1.00 0.00 C ATOM 1424 OE1 GLU B 29 8.901 -8.131 -7.648 1.00 0.00 O ATOM 1425 OE2 GLU B 29 9.365 -10.260 -7.835 1.00 0.00 O ATOM 0 H GLU B 29 7.529 -7.029 -7.921 1.00 0.00 H new ATOM 0 HA GLU B 29 5.006 -7.448 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.625 -9.658 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.209 -9.665 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU B 29 6.953 -10.701 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU B 29 6.710 -9.119 -8.876 1.00 0.00 H new ATOM 1432 N ARG B 30 7.592 -6.212 -5.453 1.00 0.00 N ATOM 1433 CA ARG B 30 8.390 -5.776 -4.319 1.00 0.00 C ATOM 1434 C ARG B 30 8.512 -4.267 -4.268 1.00 0.00 C ATOM 1435 O ARG B 30 8.598 -3.605 -5.292 1.00 0.00 O ATOM 1436 CB ARG B 30 9.785 -6.407 -4.380 1.00 0.00 C ATOM 1437 CG ARG B 30 10.563 -6.057 -5.640 1.00 0.00 C ATOM 1438 CD ARG B 30 11.539 -7.156 -6.019 1.00 0.00 C ATOM 1439 NE ARG B 30 12.358 -6.791 -7.177 1.00 0.00 N ATOM 1440 CZ ARG B 30 12.373 -7.477 -8.322 1.00 0.00 C ATOM 1441 NH1 ARG B 30 11.550 -8.499 -8.504 1.00 0.00 N ATOM 1442 NH2 ARG B 30 13.189 -7.122 -9.307 1.00 0.00 N ATOM 0 H ARG B 30 7.679 -5.635 -6.290 1.00 0.00 H new ATOM 0 HA ARG B 30 7.881 -6.104 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG B 30 10.357 -6.085 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG B 30 9.687 -7.491 -4.314 1.00 0.00 H new ATOM 0 HG2 ARG B 30 9.868 -5.888 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG B 30 11.106 -5.125 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG B 30 12.188 -7.372 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG B 30 10.987 -8.070 -6.239 1.00 0.00 H new ATOM 0 HE ARG B 30 12.951 -5.965 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG B 30 10.899 -8.767 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG B 30 11.568 -9.018 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG B 30 13.810 -6.321 -9.191 1.00 0.00 H new ATOM 0 HH22 ARG B 30 13.196 -7.650 -10.179 1.00 0.00 H new ATOM 1456 N ILE B 31 8.523 -3.728 -3.069 1.00 0.00 N ATOM 1457 CA ILE B 31 8.656 -2.301 -2.885 1.00 0.00 C ATOM 1458 C ILE B 31 10.032 -1.997 -2.308 1.00 0.00 C ATOM 1459 O ILE B 31 10.387 -2.468 -1.226 1.00 0.00 O ATOM 1460 CB ILE B 31 7.537 -1.728 -1.981 1.00 0.00 C ATOM 1461 CG1 ILE B 31 7.788 -0.248 -1.686 1.00 0.00 C ATOM 1462 CG2 ILE B 31 7.416 -2.524 -0.688 1.00 0.00 C ATOM 1463 CD1 ILE B 31 6.554 0.494 -1.224 1.00 0.00 C ATOM 0 H ILE B 31 8.441 -4.260 -2.203 1.00 0.00 H new ATOM 0 HA ILE B 31 8.553 -1.816 -3.855 1.00 0.00 H new ATOM 0 HB ILE B 31 6.592 -1.816 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE B 31 8.560 -0.164 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE B 31 8.176 0.232 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.623 -2.100 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.179 -3.562 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE B 31 8.360 -2.481 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE B 31 6.807 1.537 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.787 0.442 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.177 0.039 -0.308 1.00 0.00 H new ATOM 1475 N ALA B 32 10.822 -1.250 -3.051 1.00 0.00 N ATOM 1476 CA ALA B 32 12.160 -0.910 -2.606 1.00 0.00 C ATOM 1477 C ALA B 32 12.413 0.583 -2.704 1.00 0.00 C ATOM 1478 O ALA B 32 12.204 1.201 -3.745 1.00 0.00 O ATOM 1479 CB ALA B 32 13.199 -1.686 -3.396 1.00 0.00 C ATOM 0 H ALA B 32 10.564 -0.868 -3.961 1.00 0.00 H new ATOM 0 HA ALA B 32 12.244 -1.191 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA B 32 14.196 -1.417 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA B 32 13.041 -2.755 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA B 32 13.107 -1.443 -4.455 1.00 0.00 H new ATOM 1485 N TRP B 33 12.854 1.152 -1.604 1.00 0.00 N ATOM 1486 CA TRP B 33 13.147 2.567 -1.525 1.00 0.00 C ATOM 1487 C TRP B 33 14.658 2.774 -1.455 1.00 0.00 C ATOM 1488 O TRP B 33 15.385 1.931 -0.920 1.00 0.00 O ATOM 1489 CB TRP B 33 12.449 3.149 -0.281 1.00 0.00 C ATOM 1490 CG TRP B 33 12.743 4.601 0.009 1.00 0.00 C ATOM 1491 CD1 TRP B 33 11.893 5.659 -0.143 1.00 0.00 C ATOM 1492 CD2 TRP B 33 13.968 5.152 0.514 1.00 0.00 C ATOM 1493 NE1 TRP B 33 12.522 6.823 0.227 1.00 0.00 N ATOM 1494 CE2 TRP B 33 13.790 6.535 0.633 1.00 0.00 C ATOM 1495 CE3 TRP B 33 15.195 4.602 0.869 1.00 0.00 C ATOM 1496 CZ2 TRP B 33 14.796 7.377 1.094 1.00 0.00 C ATOM 1497 CZ3 TRP B 33 16.195 5.429 1.317 1.00 0.00 C ATOM 1498 CH2 TRP B 33 15.991 6.811 1.431 1.00 0.00 C ATOM 0 H TRP B 33 13.020 0.644 -0.735 1.00 0.00 H new ATOM 0 HA TRP B 33 12.776 3.082 -2.411 1.00 0.00 H new ATOM 0 HB2 TRP B 33 11.372 3.031 -0.402 1.00 0.00 H new ATOM 0 HB3 TRP B 33 12.739 2.557 0.587 1.00 0.00 H new ATOM 0 HD1 TRP B 33 10.876 5.591 -0.501 1.00 0.00 H new ATOM 0 HE1 TRP B 33 12.106 7.754 0.202 1.00 0.00 H new ATOM 0 HE3 TRP B 33 15.359 3.537 0.793 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 14.637 8.442 1.182 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 17.153 5.009 1.586 1.00 0.00 H new ATOM 0 HH2 TRP B 33 16.793 7.438 1.792 1.00 0.00 H new ATOM 1509 N ALA B 34 15.120 3.888 -2.004 1.00 0.00 N ATOM 1510 CA ALA B 34 16.533 4.242 -1.980 1.00 0.00 C ATOM 1511 C ALA B 34 16.674 5.752 -1.869 1.00 0.00 C ATOM 1512 O ALA B 34 15.743 6.459 -2.188 1.00 0.00 O ATOM 1513 CB ALA B 34 17.217 3.754 -3.218 1.00 0.00 C ATOM 0 H ALA B 34 14.528 4.571 -2.478 1.00 0.00 H new ATOM 0 HA ALA B 34 17.003 3.768 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA B 34 18.272 4.027 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA B 34 17.125 2.670 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA B 34 16.753 4.209 -4.093 1.00 0.00 H new ATOM 1519 N PRO B 35 17.814 6.275 -1.400 1.00 0.00 N ATOM 1520 CA PRO B 35 18.003 7.721 -1.269 1.00 0.00 C ATOM 1521 C PRO B 35 18.322 8.381 -2.610 1.00 0.00 C ATOM 1522 O PRO B 35 18.713 7.708 -3.573 1.00 0.00 O ATOM 1523 CB PRO B 35 19.188 7.828 -0.313 1.00 0.00 C ATOM 1524 CG PRO B 35 19.981 6.587 -0.556 1.00 0.00 C ATOM 1525 CD PRO B 35 18.999 5.518 -0.962 1.00 0.00 C ATOM 0 HA PRO B 35 17.107 8.229 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO B 35 19.779 8.722 -0.513 1.00 0.00 H new ATOM 0 HB3 PRO B 35 18.857 7.890 0.724 1.00 0.00 H new ATOM 0 HG2 PRO B 35 20.723 6.749 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO B 35 20.524 6.293 0.342 1.00 0.00 H new ATOM 0 HD2 PRO B 35 19.395 4.896 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO B 35 18.764 4.854 -0.130 1.00 0.00 H new ATOM 1533 N GLU B 36 18.176 9.697 -2.654 1.00 0.00 N ATOM 1534 CA GLU B 36 18.402 10.454 -3.869 1.00 0.00 C ATOM 1535 C GLU B 36 19.881 10.511 -4.212 1.00 0.00 C ATOM 1536 O GLU B 36 20.749 10.415 -3.333 1.00 0.00 O ATOM 1537 CB GLU B 36 17.817 11.864 -3.734 1.00 0.00 C ATOM 1538 CG GLU B 36 17.426 12.491 -5.064 1.00 0.00 C ATOM 1539 CD GLU B 36 16.775 11.498 -6.010 1.00 0.00 C ATOM 1540 OE1 GLU B 36 17.515 10.745 -6.681 1.00 0.00 O ATOM 1541 OE2 GLU B 36 15.530 11.463 -6.087 1.00 0.00 O ATOM 0 H GLU B 36 17.899 10.264 -1.852 1.00 0.00 H new ATOM 0 HA GLU B 36 17.893 9.945 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU B 36 16.939 11.824 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU B 36 18.547 12.505 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU B 36 16.740 13.318 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU B 36 18.313 12.911 -5.538 1.00 0.00 H new ATOM 1548 N GLY B 37 20.157 10.640 -5.502 1.00 0.00 N ATOM 1549 CA GLY B 37 21.524 10.695 -5.973 1.00 0.00 C ATOM 1550 C GLY B 37 22.238 9.399 -5.682 1.00 0.00 C ATOM 1551 O GLY B 37 23.418 9.388 -5.330 1.00 0.00 O ATOM 0 H GLY B 37 19.451 10.708 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.537 10.891 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.047 11.521 -5.491 1.00 0.00 H new ATOM 1555 N LYS B 38 21.497 8.308 -5.797 1.00 0.00 N ATOM 1556 CA LYS B 38 22.016 6.979 -5.533 1.00 0.00 C ATOM 1557 C LYS B 38 21.178 5.954 -6.279 1.00 0.00 C ATOM 1558 O LYS B 38 21.694 5.179 -7.080 1.00 0.00 O ATOM 1559 CB LYS B 38 21.968 6.685 -4.029 1.00 0.00 C ATOM 1560 CG LYS B 38 23.269 6.148 -3.455 1.00 0.00 C ATOM 1561 CD LYS B 38 24.244 7.269 -3.113 1.00 0.00 C ATOM 1562 CE LYS B 38 23.690 8.201 -2.041 1.00 0.00 C ATOM 1563 NZ LYS B 38 23.266 9.514 -2.605 1.00 0.00 N ATOM 0 H LYS B 38 20.516 8.321 -6.077 1.00 0.00 H new ATOM 0 HA LYS B 38 23.051 6.924 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS B 38 21.701 7.600 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS B 38 21.174 5.963 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS B 38 23.057 5.565 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS B 38 23.731 5.471 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS B 38 25.184 6.839 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS B 38 24.466 7.843 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS B 38 22.840 7.725 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS B 38 24.448 8.364 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 23.668 10.284 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 23.605 9.597 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 22.228 9.579 -2.591 1.00 0.00 H new ATOM 1577 N ASP B 39 19.879 5.955 -5.968 1.00 0.00 N ATOM 1578 CA ASP B 39 18.892 5.054 -6.580 1.00 0.00 C ATOM 1579 C ASP B 39 19.140 3.589 -6.224 1.00 0.00 C ATOM 1580 O ASP B 39 18.329 2.721 -6.548 1.00 0.00 O ATOM 1581 CB ASP B 39 18.812 5.247 -8.098 1.00 0.00 C ATOM 1582 CG ASP B 39 17.804 6.319 -8.483 1.00 0.00 C ATOM 1583 OD1 ASP B 39 18.178 7.511 -8.512 1.00 0.00 O ATOM 1584 OD2 ASP B 39 16.629 5.981 -8.739 1.00 0.00 O ATOM 0 H ASP B 39 19.476 6.588 -5.277 1.00 0.00 H new ATOM 0 HA ASP B 39 17.925 5.326 -6.158 1.00 0.00 H new ATOM 0 HB2 ASP B 39 19.795 5.519 -8.481 1.00 0.00 H new ATOM 0 HB3 ASP B 39 18.536 4.304 -8.570 1.00 0.00 H new ATOM 1589 N ARG B 40 20.249 3.309 -5.551 1.00 0.00 N ATOM 1590 CA ARG B 40 20.538 1.955 -5.131 1.00 0.00 C ATOM 1591 C ARG B 40 19.674 1.652 -3.920 1.00 0.00 C ATOM 1592 O ARG B 40 19.814 2.300 -2.882 1.00 0.00 O ATOM 1593 CB ARG B 40 22.018 1.792 -4.780 1.00 0.00 C ATOM 1594 CG ARG B 40 22.419 0.348 -4.533 1.00 0.00 C ATOM 1595 CD ARG B 40 23.132 0.184 -3.198 1.00 0.00 C ATOM 1596 NE ARG B 40 22.246 0.458 -2.065 1.00 0.00 N ATOM 1597 CZ ARG B 40 22.658 0.904 -0.879 1.00 0.00 C ATOM 1598 NH1 ARG B 40 23.954 1.101 -0.651 1.00 0.00 N ATOM 1599 NH2 ARG B 40 21.771 1.147 0.077 1.00 0.00 N ATOM 0 H ARG B 40 20.954 3.998 -5.289 1.00 0.00 H new ATOM 0 HA ARG B 40 20.319 1.261 -5.943 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.624 2.197 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG B 40 22.241 2.381 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG B 40 21.532 -0.285 -4.552 1.00 0.00 H new ATOM 0 HG3 ARG B 40 23.070 0.008 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG B 40 23.521 -0.831 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG B 40 23.988 0.857 -3.159 1.00 0.00 H new ATOM 0 HE ARG B 40 21.247 0.297 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG B 40 24.636 0.911 -1.385 1.00 0.00 H new ATOM 0 HH12 ARG B 40 24.266 1.443 0.258 1.00 0.00 H new ATOM 0 HH21 ARG B 40 20.778 0.992 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.082 1.488 0.986 1.00 0.00 H new ATOM 1613 N PHE B 41 18.810 0.652 -4.058 1.00 0.00 N ATOM 1614 CA PHE B 41 17.868 0.271 -3.008 1.00 0.00 C ATOM 1615 C PHE B 41 18.514 0.170 -1.632 1.00 0.00 C ATOM 1616 O PHE B 41 19.602 -0.386 -1.468 1.00 0.00 O ATOM 1617 CB PHE B 41 17.185 -1.048 -3.361 1.00 0.00 C ATOM 1618 CG PHE B 41 16.618 -1.077 -4.754 1.00 0.00 C ATOM 1619 CD1 PHE B 41 15.795 -0.056 -5.203 1.00 0.00 C ATOM 1620 CD2 PHE B 41 16.910 -2.124 -5.611 1.00 0.00 C ATOM 1621 CE1 PHE B 41 15.274 -0.080 -6.483 1.00 0.00 C ATOM 1622 CE2 PHE B 41 16.391 -2.154 -6.892 1.00 0.00 C ATOM 1623 CZ PHE B 41 15.572 -1.130 -7.327 1.00 0.00 C ATOM 0 H PHE B 41 18.742 0.082 -4.901 1.00 0.00 H new ATOM 0 HA PHE B 41 17.127 1.069 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE B 41 17.904 -1.860 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE B 41 16.383 -1.235 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.558 0.767 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE B 41 17.550 -2.926 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE B 41 14.635 0.722 -6.822 1.00 0.00 H new ATOM 0 HE2 PHE B 41 16.625 -2.977 -7.552 1.00 0.00 H new ATOM 0 HZ PHE B 41 15.165 -1.151 -8.327 1.00 0.00 H new ATOM 1633 N THR B 42 17.831 0.746 -0.660 1.00 0.00 N ATOM 1634 CA THR B 42 18.271 0.747 0.721 1.00 0.00 C ATOM 1635 C THR B 42 17.300 -0.075 1.567 1.00 0.00 C ATOM 1636 O THR B 42 17.698 -0.799 2.478 1.00 0.00 O ATOM 1637 CB THR B 42 18.354 2.196 1.251 1.00 0.00 C ATOM 1638 OG1 THR B 42 19.415 2.892 0.588 1.00 0.00 O ATOM 1639 CG2 THR B 42 18.582 2.246 2.752 1.00 0.00 C ATOM 0 H THR B 42 16.946 1.231 -0.810 1.00 0.00 H new ATOM 0 HA THR B 42 19.263 0.300 0.784 1.00 0.00 H new ATOM 0 HB THR B 42 17.397 2.675 1.043 1.00 0.00 H new ATOM 0 HG1 THR B 42 19.888 3.458 1.233 1.00 0.00 H new ATOM 0 HG21 THR B 42 18.633 3.285 3.078 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.759 1.746 3.262 1.00 0.00 H new ATOM 0 HG23 THR B 42 19.518 1.743 2.995 1.00 0.00 H new ATOM 1647 N ILE B 43 16.023 0.033 1.231 1.00 0.00 N ATOM 1648 CA ILE B 43 14.973 -0.688 1.930 1.00 0.00 C ATOM 1649 C ILE B 43 14.167 -1.510 0.932 1.00 0.00 C ATOM 1650 O ILE B 43 13.657 -0.972 -0.046 1.00 0.00 O ATOM 1651 CB ILE B 43 14.048 0.294 2.690 1.00 0.00 C ATOM 1652 CG1 ILE B 43 14.646 0.628 4.057 1.00 0.00 C ATOM 1653 CG2 ILE B 43 12.639 -0.269 2.843 1.00 0.00 C ATOM 1654 CD1 ILE B 43 13.882 1.699 4.802 1.00 0.00 C ATOM 0 H ILE B 43 15.688 0.621 0.468 1.00 0.00 H new ATOM 0 HA ILE B 43 15.430 -1.356 2.660 1.00 0.00 H new ATOM 0 HB ILE B 43 13.973 1.209 2.103 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.673 -0.277 4.664 1.00 0.00 H new ATOM 0 HG13 ILE B 43 15.678 0.954 3.924 1.00 0.00 H new ATOM 0 HG21 ILE B 43 12.018 0.447 3.381 1.00 0.00 H new ATOM 0 HG22 ILE B 43 12.211 -0.452 1.857 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.680 -1.205 3.400 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.361 1.886 5.763 1.00 0.00 H new ATOM 0 HD12 ILE B 43 13.876 2.617 4.215 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.857 1.367 4.966 1.00 0.00 H new ATOM 1666 N SER B 44 14.090 -2.814 1.157 1.00 0.00 N ATOM 1667 CA SER B 44 13.352 -3.699 0.268 1.00 0.00 C ATOM 1668 C SER B 44 12.353 -4.546 1.043 1.00 0.00 C ATOM 1669 O SER B 44 12.706 -5.189 2.030 1.00 0.00 O ATOM 1670 CB SER B 44 14.324 -4.598 -0.497 1.00 0.00 C ATOM 1671 OG SER B 44 15.389 -3.836 -1.042 1.00 0.00 O ATOM 0 H SER B 44 14.530 -3.283 1.949 1.00 0.00 H new ATOM 0 HA SER B 44 12.796 -3.086 -0.441 1.00 0.00 H new ATOM 0 HB2 SER B 44 14.722 -5.363 0.170 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.795 -5.117 -1.297 1.00 0.00 H new ATOM 0 HG SER B 44 16.001 -4.429 -1.526 1.00 0.00 H new ATOM 1677 N HIS B 45 11.110 -4.532 0.588 1.00 0.00 N ATOM 1678 CA HIS B 45 10.047 -5.294 1.207 1.00 0.00 C ATOM 1679 C HIS B 45 9.205 -5.920 0.126 1.00 0.00 C ATOM 1680 O HIS B 45 8.962 -5.319 -0.921 1.00 0.00 O ATOM 1681 CB HIS B 45 9.174 -4.415 2.112 1.00 0.00 C ATOM 1682 CG HIS B 45 9.875 -3.948 3.348 1.00 0.00 C ATOM 1683 ND1 HIS B 45 10.290 -4.783 4.360 1.00 0.00 N ATOM 1684 CD2 HIS B 45 10.265 -2.702 3.708 1.00 0.00 C ATOM 1685 CE1 HIS B 45 10.911 -4.036 5.280 1.00 0.00 C ATOM 1686 NE2 HIS B 45 10.926 -2.764 4.930 1.00 0.00 N ATOM 0 H HIS B 45 10.813 -3.989 -0.223 1.00 0.00 H new ATOM 0 HA HIS B 45 10.491 -6.067 1.834 1.00 0.00 H new ATOM 0 HB2 HIS B 45 8.837 -3.547 1.546 1.00 0.00 H new ATOM 0 HB3 HIS B 45 8.284 -4.974 2.399 1.00 0.00 H new ATOM 0 HD2 HIS B 45 10.090 -1.802 3.136 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.344 -4.424 6.190 1.00 0.00 H new ATOM 0 HE2 HIS B 45 11.337 -1.987 5.448 1.00 0.00 H new ATOM 1694 N MET B 46 8.787 -7.129 0.366 1.00 0.00 N ATOM 1695 CA MET B 46 7.972 -7.846 -0.579 1.00 0.00 C ATOM 1696 C MET B 46 6.516 -7.639 -0.219 1.00 0.00 C ATOM 1697 O MET B 46 6.165 -7.657 0.954 1.00 0.00 O ATOM 1698 CB MET B 46 8.327 -9.330 -0.537 1.00 0.00 C ATOM 1699 CG MET B 46 9.648 -9.672 -1.207 1.00 0.00 C ATOM 1700 SD MET B 46 9.630 -9.396 -2.986 1.00 0.00 S ATOM 1701 CE MET B 46 8.467 -10.648 -3.525 1.00 0.00 C ATOM 0 H MET B 46 8.999 -7.647 1.219 1.00 0.00 H new ATOM 0 HA MET B 46 8.150 -7.477 -1.589 1.00 0.00 H new ATOM 0 HB2 MET B 46 8.365 -9.654 0.503 1.00 0.00 H new ATOM 0 HB3 MET B 46 7.530 -9.897 -1.019 1.00 0.00 H new ATOM 0 HG2 MET B 46 10.441 -9.072 -0.760 1.00 0.00 H new ATOM 0 HG3 MET B 46 9.889 -10.717 -1.010 1.00 0.00 H new ATOM 0 HE1 MET B 46 8.587 -10.819 -4.595 1.00 0.00 H new ATOM 0 HE2 MET B 46 8.656 -11.576 -2.986 1.00 0.00 H new ATOM 0 HE3 MET B 46 7.450 -10.311 -3.323 1.00 0.00 H new ATOM 1711 N TYR B 47 5.664 -7.446 -1.218 1.00 0.00 N ATOM 1712 CA TYR B 47 4.233 -7.240 -0.962 1.00 0.00 C ATOM 1713 C TYR B 47 3.646 -8.441 -0.211 1.00 0.00 C ATOM 1714 O TYR B 47 2.536 -8.389 0.309 1.00 0.00 O ATOM 1715 CB TYR B 47 3.457 -7.025 -2.267 1.00 0.00 C ATOM 1716 CG TYR B 47 3.948 -5.870 -3.114 1.00 0.00 C ATOM 1717 CD1 TYR B 47 4.637 -4.803 -2.551 1.00 0.00 C ATOM 1718 CD2 TYR B 47 3.723 -5.852 -4.484 1.00 0.00 C ATOM 1719 CE1 TYR B 47 5.085 -3.754 -3.328 1.00 0.00 C ATOM 1720 CE2 TYR B 47 4.170 -4.807 -5.268 1.00 0.00 C ATOM 1721 CZ TYR B 47 4.850 -3.761 -4.686 1.00 0.00 C ATOM 1722 OH TYR B 47 5.303 -2.722 -5.464 1.00 0.00 O ATOM 0 H TYR B 47 5.928 -7.427 -2.203 1.00 0.00 H new ATOM 0 HA TYR B 47 4.135 -6.344 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.508 -7.939 -2.859 1.00 0.00 H new ATOM 0 HB3 TYR B 47 2.407 -6.860 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR B 47 4.825 -4.794 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR B 47 3.189 -6.670 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR B 47 5.617 -2.931 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR B 47 3.987 -4.810 -6.332 1.00 0.00 H new ATOM 0 HH TYR B 47 5.713 -3.079 -6.280 1.00 0.00 H new ATOM 1732 N ALA B 48 4.420 -9.519 -0.181 1.00 0.00 N ATOM 1733 CA ALA B 48 4.042 -10.753 0.486 1.00 0.00 C ATOM 1734 C ALA B 48 4.155 -10.648 2.004 1.00 0.00 C ATOM 1735 O ALA B 48 3.389 -11.284 2.731 1.00 0.00 O ATOM 1736 CB ALA B 48 4.917 -11.893 -0.016 1.00 0.00 C ATOM 0 H ALA B 48 5.337 -9.559 -0.625 1.00 0.00 H new ATOM 0 HA ALA B 48 2.996 -10.948 0.249 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.632 -12.818 0.485 1.00 0.00 H new ATOM 0 HB2 ALA B 48 4.784 -12.007 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA B 48 5.962 -11.671 0.199 1.00 0.00 H new ATOM 1742 N ASP B 49 5.106 -9.850 2.487 1.00 0.00 N ATOM 1743 CA ASP B 49 5.305 -9.704 3.923 1.00 0.00 C ATOM 1744 C ASP B 49 4.623 -8.451 4.448 1.00 0.00 C ATOM 1745 O ASP B 49 4.567 -8.229 5.658 1.00 0.00 O ATOM 1746 CB ASP B 49 6.802 -9.699 4.283 1.00 0.00 C ATOM 1747 CG ASP B 49 7.559 -8.485 3.762 1.00 0.00 C ATOM 1748 OD1 ASP B 49 7.531 -7.432 4.428 1.00 0.00 O ATOM 1749 OD2 ASP B 49 8.204 -8.598 2.695 1.00 0.00 O ATOM 0 H ASP B 49 5.743 -9.301 1.910 1.00 0.00 H new ATOM 0 HA ASP B 49 4.846 -10.567 4.405 1.00 0.00 H new ATOM 0 HB2 ASP B 49 6.905 -9.741 5.367 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.264 -10.602 3.884 1.00 0.00 H new ATOM 1754 N ILE B 50 4.086 -7.645 3.546 1.00 0.00 N ATOM 1755 CA ILE B 50 3.398 -6.430 3.948 1.00 0.00 C ATOM 1756 C ILE B 50 1.938 -6.736 4.261 1.00 0.00 C ATOM 1757 O ILE B 50 1.234 -7.351 3.462 1.00 0.00 O ATOM 1758 CB ILE B 50 3.474 -5.323 2.878 1.00 0.00 C ATOM 1759 CG1 ILE B 50 4.867 -5.267 2.254 1.00 0.00 C ATOM 1760 CG2 ILE B 50 3.133 -3.979 3.503 1.00 0.00 C ATOM 1761 CD1 ILE B 50 4.985 -4.271 1.123 1.00 0.00 C ATOM 0 H ILE B 50 4.113 -7.808 2.540 1.00 0.00 H new ATOM 0 HA ILE B 50 3.904 -6.059 4.839 1.00 0.00 H new ATOM 0 HB ILE B 50 2.754 -5.551 2.092 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.592 -5.013 3.027 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.130 -6.258 1.883 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.188 -3.200 2.743 1.00 0.00 H new ATOM 0 HG22 ILE B 50 2.124 -4.014 3.914 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.842 -3.758 4.301 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.001 -4.286 0.729 1.00 0.00 H new ATOM 0 HD12 ILE B 50 4.285 -4.535 0.331 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.754 -3.272 1.493 1.00 0.00 H new ATOM 1773 N LYS B 51 1.497 -6.303 5.430 1.00 0.00 N ATOM 1774 CA LYS B 51 0.135 -6.536 5.878 1.00 0.00 C ATOM 1775 C LYS B 51 -0.814 -5.475 5.340 1.00 0.00 C ATOM 1776 O LYS B 51 -1.714 -5.767 4.561 1.00 0.00 O ATOM 1777 CB LYS B 51 0.086 -6.527 7.406 1.00 0.00 C ATOM 1778 CG LYS B 51 -1.309 -6.718 7.966 1.00 0.00 C ATOM 1779 CD LYS B 51 -1.415 -6.195 9.384 1.00 0.00 C ATOM 1780 CE LYS B 51 -2.554 -6.879 10.118 1.00 0.00 C ATOM 1781 NZ LYS B 51 -2.077 -7.691 11.265 1.00 0.00 N ATOM 0 H LYS B 51 2.071 -5.782 6.093 1.00 0.00 H new ATOM 0 HA LYS B 51 -0.182 -7.507 5.498 1.00 0.00 H new ATOM 0 HB2 LYS B 51 0.733 -7.317 7.787 1.00 0.00 H new ATOM 0 HB3 LYS B 51 0.489 -5.581 7.769 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -2.030 -6.202 7.332 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -1.568 -7.777 7.947 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -0.478 -6.368 9.913 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.579 -5.117 9.369 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.257 -6.126 10.476 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -3.098 -7.519 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -2.890 -8.139 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -1.427 -8.427 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -1.580 -7.077 11.942 1.00 0.00 H new ATOM 1795 N CYS B 52 -0.594 -4.244 5.761 1.00 0.00 N ATOM 1796 CA CYS B 52 -1.438 -3.130 5.355 1.00 0.00 C ATOM 1797 C CYS B 52 -0.586 -1.887 5.196 1.00 0.00 C ATOM 1798 O CYS B 52 0.640 -1.973 5.171 1.00 0.00 O ATOM 1799 CB CYS B 52 -2.548 -2.900 6.386 1.00 0.00 C ATOM 1800 SG CYS B 52 -3.762 -4.241 6.473 1.00 0.00 S ATOM 0 H CYS B 52 0.167 -3.986 6.389 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.909 -3.361 4.400 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.095 -2.769 7.369 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -3.065 -1.971 6.147 1.00 0.00 H new ATOM 0 HG CYS B 52 -4.001 -4.688 5.276 1.00 0.00 H new ATOM 1806 N GLN B 53 -1.218 -0.735 5.082 1.00 0.00 N ATOM 1807 CA GLN B 53 -0.481 0.500 4.915 1.00 0.00 C ATOM 1808 C GLN B 53 -1.103 1.615 5.743 1.00 0.00 C ATOM 1809 O GLN B 53 -2.095 1.416 6.426 1.00 0.00 O ATOM 1810 CB GLN B 53 -0.454 0.930 3.441 1.00 0.00 C ATOM 1811 CG GLN B 53 -0.252 -0.205 2.450 1.00 0.00 C ATOM 1812 CD GLN B 53 -1.294 -0.199 1.348 1.00 0.00 C ATOM 1813 OE1 GLN B 53 -2.371 -0.953 1.537 1.00 0.00 O flip ATOM 1814 NE2 GLN B 53 -1.137 0.479 0.336 1.00 0.00 N flip ATOM 0 H GLN B 53 -2.232 -0.629 5.102 1.00 0.00 H new ATOM 0 HA GLN B 53 0.539 0.319 5.255 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.391 1.435 3.207 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.344 1.659 3.304 1.00 0.00 H new ATOM 0 HG2 GLN B 53 0.741 -0.126 2.008 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.291 -1.157 2.979 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -0.296 1.046 0.227 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -1.848 0.476 -0.396 1.00 0.00 H new ATOM 1823 N LYS B 54 -0.477 2.773 5.688 1.00 0.00 N ATOM 1824 CA LYS B 54 -0.945 3.974 6.358 1.00 0.00 C ATOM 1825 C LYS B 54 -0.603 5.155 5.464 1.00 0.00 C ATOM 1826 O LYS B 54 0.394 5.102 4.747 1.00 0.00 O ATOM 1827 CB LYS B 54 -0.292 4.132 7.727 1.00 0.00 C ATOM 1828 CG LYS B 54 -0.951 3.320 8.823 1.00 0.00 C ATOM 1829 CD LYS B 54 -1.409 4.216 9.955 1.00 0.00 C ATOM 1830 CE LYS B 54 -1.397 3.491 11.286 1.00 0.00 C ATOM 1831 NZ LYS B 54 -0.041 3.485 11.895 1.00 0.00 N ATOM 0 H LYS B 54 0.389 2.911 5.166 1.00 0.00 H new ATOM 0 HA LYS B 54 -2.020 3.915 6.525 1.00 0.00 H new ATOM 0 HB2 LYS B 54 0.756 3.841 7.654 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -0.311 5.185 8.008 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -1.803 2.776 8.416 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -0.250 2.577 9.203 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -0.761 5.091 10.011 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -2.416 4.578 9.747 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -2.100 3.969 11.968 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -1.737 2.465 11.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 0.019 2.723 12.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.672 3.328 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 0.136 4.400 12.357 1.00 0.00 H new ATOM 1845 N ILE B 55 -1.411 6.206 5.468 1.00 0.00 N ATOM 1846 CA ILE B 55 -1.143 7.346 4.588 1.00 0.00 C ATOM 1847 C ILE B 55 -1.576 8.678 5.160 1.00 0.00 C ATOM 1848 O ILE B 55 -2.561 8.758 5.875 1.00 0.00 O ATOM 1849 CB ILE B 55 -1.906 7.208 3.259 1.00 0.00 C ATOM 1850 CG1 ILE B 55 -3.410 7.116 3.519 1.00 0.00 C ATOM 1851 CG2 ILE B 55 -1.433 6.005 2.490 1.00 0.00 C ATOM 1852 CD1 ILE B 55 -4.243 7.239 2.270 1.00 0.00 C ATOM 0 H ILE B 55 -2.240 6.298 6.055 1.00 0.00 H new ATOM 0 HA ILE B 55 -0.061 7.332 4.459 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.707 8.095 2.657 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.630 6.163 4.001 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.699 7.901 4.218 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -1.988 5.930 1.555 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.369 6.106 2.274 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.598 5.106 3.083 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -5.299 7.165 2.528 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.052 8.203 1.798 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.982 6.438 1.578 1.00 0.00 H new ATOM 1864 N SER B 56 -0.835 9.719 4.820 1.00 0.00 N ATOM 1865 CA SER B 56 -1.196 11.069 5.200 1.00 0.00 C ATOM 1866 C SER B 56 -2.149 11.570 4.124 1.00 0.00 C ATOM 1867 O SER B 56 -1.719 11.928 3.028 1.00 0.00 O ATOM 1868 CB SER B 56 0.041 11.949 5.287 1.00 0.00 C ATOM 1869 OG SER B 56 1.061 11.313 6.035 1.00 0.00 O ATOM 0 H SER B 56 0.026 9.651 4.277 1.00 0.00 H new ATOM 0 HA SER B 56 -1.667 11.095 6.183 1.00 0.00 H new ATOM 0 HB2 SER B 56 0.405 12.172 4.284 1.00 0.00 H new ATOM 0 HB3 SER B 56 -0.217 12.901 5.751 1.00 0.00 H new ATOM 0 HG SER B 56 1.343 10.495 5.574 1.00 0.00 H new ATOM 1875 N PRO B 57 -3.448 11.589 4.424 1.00 0.00 N ATOM 1876 CA PRO B 57 -4.495 11.942 3.460 1.00 0.00 C ATOM 1877 C PRO B 57 -4.434 13.384 2.949 1.00 0.00 C ATOM 1878 O PRO B 57 -3.642 14.199 3.429 1.00 0.00 O ATOM 1879 CB PRO B 57 -5.790 11.688 4.236 1.00 0.00 C ATOM 1880 CG PRO B 57 -5.384 10.853 5.392 1.00 0.00 C ATOM 1881 CD PRO B 57 -4.015 11.312 5.746 1.00 0.00 C ATOM 0 HA PRO B 57 -4.394 11.354 2.548 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -6.244 12.623 4.564 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.527 11.175 3.618 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -6.070 10.980 6.229 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -5.389 9.794 5.133 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -4.031 12.199 6.379 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -3.452 10.548 6.282 1.00 0.00 H new ATOM 1889 N GLU B 58 -5.279 13.676 1.957 1.00 0.00 N ATOM 1890 CA GLU B 58 -5.353 15.004 1.349 1.00 0.00 C ATOM 1891 C GLU B 58 -5.585 16.075 2.407 1.00 0.00 C ATOM 1892 O GLU B 58 -6.583 16.050 3.128 1.00 0.00 O ATOM 1893 CB GLU B 58 -6.478 15.052 0.309 1.00 0.00 C ATOM 1894 CG GLU B 58 -6.260 14.120 -0.872 1.00 0.00 C ATOM 1895 CD GLU B 58 -5.809 14.850 -2.124 1.00 0.00 C ATOM 1896 OE1 GLU B 58 -4.839 15.637 -2.052 1.00 0.00 O ATOM 1897 OE2 GLU B 58 -6.407 14.629 -3.198 1.00 0.00 O ATOM 0 H GLU B 58 -5.928 13.000 1.555 1.00 0.00 H new ATOM 0 HA GLU B 58 -4.401 15.202 0.857 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -7.420 14.795 0.794 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -6.577 16.073 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.514 13.372 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -7.186 13.586 -1.083 1.00 0.00 H new ATOM 1904 N GLY B 59 -4.647 17.003 2.500 1.00 0.00 N ATOM 1905 CA GLY B 59 -4.744 18.071 3.473 1.00 0.00 C ATOM 1906 C GLY B 59 -3.563 18.063 4.413 1.00 0.00 C ATOM 1907 O GLY B 59 -3.199 19.090 4.988 1.00 0.00 O ATOM 0 H GLY B 59 -3.813 17.036 1.914 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -4.796 19.031 2.959 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -5.667 17.964 4.043 1.00 0.00 H new ATOM 1911 N LYS B 60 -2.957 16.895 4.559 1.00 0.00 N ATOM 1912 CA LYS B 60 -1.805 16.730 5.424 1.00 0.00 C ATOM 1913 C LYS B 60 -0.557 17.314 4.769 1.00 0.00 C ATOM 1914 O LYS B 60 -0.188 16.926 3.661 1.00 0.00 O ATOM 1915 CB LYS B 60 -1.597 15.247 5.734 1.00 0.00 C ATOM 1916 CG LYS B 60 -0.440 14.978 6.675 1.00 0.00 C ATOM 1917 CD LYS B 60 -0.913 14.758 8.099 1.00 0.00 C ATOM 1918 CE LYS B 60 0.219 14.940 9.093 1.00 0.00 C ATOM 1919 NZ LYS B 60 -0.268 15.032 10.495 1.00 0.00 N ATOM 0 H LYS B 60 -3.249 16.041 4.083 1.00 0.00 H new ATOM 0 HA LYS B 60 -1.986 17.266 6.356 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -2.511 14.845 6.171 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -1.427 14.710 4.801 1.00 0.00 H new ATOM 0 HG2 LYS B 60 0.109 14.100 6.334 1.00 0.00 H new ATOM 0 HG3 LYS B 60 0.254 15.818 6.648 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -1.717 15.457 8.329 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -1.326 13.754 8.196 1.00 0.00 H new ATOM 0 HE2 LYS B 60 0.913 14.104 9.006 1.00 0.00 H new ATOM 0 HE3 LYS B 60 0.776 15.844 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.514 15.323 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.034 15.733 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -0.625 14.104 10.800 1.00 0.00 H new ATOM 1933 N ALA B 61 0.074 18.255 5.465 1.00 0.00 N ATOM 1934 CA ALA B 61 1.284 18.909 4.973 1.00 0.00 C ATOM 1935 C ALA B 61 2.403 17.902 4.733 1.00 0.00 C ATOM 1936 O ALA B 61 3.123 17.980 3.742 1.00 0.00 O ATOM 1937 CB ALA B 61 1.735 19.974 5.955 1.00 0.00 C ATOM 0 H ALA B 61 -0.235 18.584 6.379 1.00 0.00 H new ATOM 0 HA ALA B 61 1.049 19.379 4.018 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.638 20.456 5.580 1.00 0.00 H new ATOM 0 HB2 ALA B 61 0.948 20.719 6.071 1.00 0.00 H new ATOM 0 HB3 ALA B 61 1.944 19.513 6.921 1.00 0.00 H new ATOM 1943 N LYS B 62 2.554 16.966 5.658 1.00 0.00 N ATOM 1944 CA LYS B 62 3.568 15.931 5.529 1.00 0.00 C ATOM 1945 C LYS B 62 2.977 14.752 4.778 1.00 0.00 C ATOM 1946 O LYS B 62 2.199 13.992 5.344 1.00 0.00 O ATOM 1947 CB LYS B 62 4.049 15.449 6.901 1.00 0.00 C ATOM 1948 CG LYS B 62 4.910 16.442 7.666 1.00 0.00 C ATOM 1949 CD LYS B 62 5.519 15.800 8.910 1.00 0.00 C ATOM 1950 CE LYS B 62 4.504 14.932 9.642 1.00 0.00 C ATOM 1951 NZ LYS B 62 4.950 14.535 11.004 1.00 0.00 N ATOM 0 H LYS B 62 1.988 16.902 6.504 1.00 0.00 H new ATOM 0 HA LYS B 62 4.418 16.349 4.990 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.178 15.203 7.509 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.615 14.527 6.767 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.705 16.813 7.019 1.00 0.00 H new ATOM 0 HG3 LYS B 62 4.307 17.303 7.956 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.379 15.194 8.624 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.885 16.578 9.580 1.00 0.00 H new ATOM 0 HE2 LYS B 62 3.561 15.473 9.718 1.00 0.00 H new ATOM 0 HE3 LYS B 62 4.311 14.035 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 5.243 13.537 10.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.753 15.129 11.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 4.166 14.660 11.676 1.00 0.00 H new ATOM 1965 N ILE B 63 3.326 14.604 3.515 1.00 0.00 N ATOM 1966 CA ILE B 63 2.808 13.506 2.715 1.00 0.00 C ATOM 1967 C ILE B 63 3.597 12.241 3.008 1.00 0.00 C ATOM 1968 O ILE B 63 4.560 11.928 2.326 1.00 0.00 O ATOM 1969 CB ILE B 63 2.876 13.820 1.214 1.00 0.00 C ATOM 1970 CG1 ILE B 63 1.983 15.019 0.896 1.00 0.00 C ATOM 1971 CG2 ILE B 63 2.455 12.605 0.393 1.00 0.00 C ATOM 1972 CD1 ILE B 63 2.667 16.362 1.010 1.00 0.00 C ATOM 0 H ILE B 63 3.964 15.227 3.020 1.00 0.00 H new ATOM 0 HA ILE B 63 1.761 13.361 2.982 1.00 0.00 H new ATOM 0 HB ILE B 63 3.905 14.066 0.951 1.00 0.00 H new ATOM 0 HG12 ILE B 63 1.596 14.908 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.125 15.005 1.568 1.00 0.00 H new ATOM 0 HG21 ILE B 63 2.509 12.847 -0.669 1.00 0.00 H new ATOM 0 HG22 ILE B 63 3.122 11.770 0.610 1.00 0.00 H new ATOM 0 HG23 ILE B 63 1.432 12.329 0.650 1.00 0.00 H new ATOM 0 HD11 ILE B 63 1.958 17.153 0.767 1.00 0.00 H new ATOM 0 HD12 ILE B 63 3.030 16.500 2.029 1.00 0.00 H new ATOM 0 HD13 ILE B 63 3.507 16.402 0.317 1.00 0.00 H new ATOM 1984 N GLN B 64 3.204 11.512 4.028 1.00 0.00 N ATOM 1985 CA GLN B 64 3.929 10.315 4.393 1.00 0.00 C ATOM 1986 C GLN B 64 3.067 9.059 4.272 1.00 0.00 C ATOM 1987 O GLN B 64 1.862 9.077 4.526 1.00 0.00 O ATOM 1988 CB GLN B 64 4.490 10.466 5.808 1.00 0.00 C ATOM 1989 CG GLN B 64 4.442 11.898 6.320 1.00 0.00 C ATOM 1990 CD GLN B 64 4.875 12.040 7.762 1.00 0.00 C ATOM 1991 OE1 GLN B 64 3.923 11.937 8.676 1.00 0.00 O flip ATOM 1992 NE2 GLN B 64 6.044 12.264 8.053 1.00 0.00 N flip ATOM 0 H GLN B 64 2.396 11.723 4.614 1.00 0.00 H new ATOM 0 HA GLN B 64 4.754 10.192 3.692 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.926 9.825 6.486 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.522 10.116 5.822 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.082 12.520 5.694 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.426 12.279 6.215 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.748 12.336 7.318 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.313 12.378 9.030 1.00 0.00 H new ATOM 2001 N LEU B 65 3.705 7.987 3.841 1.00 0.00 N ATOM 2002 CA LEU B 65 3.073 6.687 3.669 1.00 0.00 C ATOM 2003 C LEU B 65 3.665 5.728 4.693 1.00 0.00 C ATOM 2004 O LEU B 65 4.733 5.992 5.218 1.00 0.00 O ATOM 2005 CB LEU B 65 3.353 6.155 2.257 1.00 0.00 C ATOM 2006 CG LEU B 65 2.625 4.862 1.875 1.00 0.00 C ATOM 2007 CD1 LEU B 65 1.285 5.156 1.202 1.00 0.00 C ATOM 2008 CD2 LEU B 65 3.512 4.000 0.994 1.00 0.00 C ATOM 0 H LEU B 65 4.695 7.993 3.595 1.00 0.00 H new ATOM 0 HA LEU B 65 1.996 6.776 3.808 1.00 0.00 H new ATOM 0 HB2 LEU B 65 3.083 6.928 1.538 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.426 5.989 2.158 1.00 0.00 H new ATOM 0 HG LEU B 65 2.409 4.307 2.788 1.00 0.00 H new ATOM 0 HD11 LEU B 65 0.794 4.218 0.944 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.651 5.721 1.885 1.00 0.00 H new ATOM 0 HD13 LEU B 65 1.453 5.739 0.296 1.00 0.00 H new ATOM 0 HD21 LEU B 65 2.983 3.084 0.730 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.765 4.548 0.086 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.426 3.748 1.533 1.00 0.00 H new ATOM 2020 N GLN B 66 2.977 4.647 4.999 1.00 0.00 N ATOM 2021 CA GLN B 66 3.492 3.670 5.945 1.00 0.00 C ATOM 2022 C GLN B 66 3.156 2.260 5.487 1.00 0.00 C ATOM 2023 O GLN B 66 2.038 1.986 5.070 1.00 0.00 O ATOM 2024 CB GLN B 66 2.948 3.915 7.348 1.00 0.00 C ATOM 2025 CG GLN B 66 3.367 2.853 8.355 1.00 0.00 C ATOM 2026 CD GLN B 66 2.804 3.097 9.740 1.00 0.00 C ATOM 2027 OE1 GLN B 66 1.756 2.568 10.096 1.00 0.00 O ATOM 2028 NE2 GLN B 66 3.500 3.894 10.529 1.00 0.00 N ATOM 0 H GLN B 66 2.062 4.420 4.609 1.00 0.00 H new ATOM 0 HA GLN B 66 4.576 3.780 5.982 1.00 0.00 H new ATOM 0 HB2 GLN B 66 3.289 4.890 7.696 1.00 0.00 H new ATOM 0 HB3 GLN B 66 1.860 3.955 7.305 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.038 1.875 8.002 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.455 2.822 8.411 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.367 4.314 10.193 1.00 0.00 H new ATOM 0 HE22 GLN B 66 3.171 4.090 11.474 1.00 0.00 H new ATOM 2037 N LEU B 67 4.142 1.384 5.535 1.00 0.00 N ATOM 2038 CA LEU B 67 3.960 -0.003 5.149 1.00 0.00 C ATOM 2039 C LEU B 67 3.912 -0.882 6.381 1.00 0.00 C ATOM 2040 O LEU B 67 4.946 -1.220 6.946 1.00 0.00 O ATOM 2041 CB LEU B 67 5.102 -0.475 4.253 1.00 0.00 C ATOM 2042 CG LEU B 67 5.175 0.168 2.875 1.00 0.00 C ATOM 2043 CD1 LEU B 67 6.421 -0.311 2.152 1.00 0.00 C ATOM 2044 CD2 LEU B 67 3.928 -0.159 2.068 1.00 0.00 C ATOM 0 H LEU B 67 5.088 1.612 5.841 1.00 0.00 H new ATOM 0 HA LEU B 67 3.021 -0.077 4.600 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.044 -0.290 4.770 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.016 -1.554 4.125 1.00 0.00 H new ATOM 0 HG LEU B 67 5.229 1.251 2.991 1.00 0.00 H new ATOM 0 HD11 LEU B 67 6.470 0.151 1.166 1.00 0.00 H new ATOM 0 HD12 LEU B 67 7.305 -0.034 2.727 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.384 -1.395 2.043 1.00 0.00 H new ATOM 0 HD21 LEU B 67 3.997 0.309 1.086 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.844 -1.239 1.950 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.048 0.219 2.589 1.00 0.00 H new ATOM 2056 N VAL B 68 2.720 -1.235 6.809 1.00 0.00 N ATOM 2057 CA VAL B 68 2.562 -2.089 7.968 1.00 0.00 C ATOM 2058 C VAL B 68 2.780 -3.530 7.553 1.00 0.00 C ATOM 2059 O VAL B 68 1.908 -4.136 6.946 1.00 0.00 O ATOM 2060 CB VAL B 68 1.166 -1.953 8.597 1.00 0.00 C ATOM 2061 CG1 VAL B 68 1.122 -2.671 9.930 1.00 0.00 C ATOM 2062 CG2 VAL B 68 0.792 -0.496 8.766 1.00 0.00 C ATOM 0 H VAL B 68 1.845 -0.944 6.373 1.00 0.00 H new ATOM 0 HA VAL B 68 3.296 -1.783 8.713 1.00 0.00 H new ATOM 0 HB VAL B 68 0.439 -2.413 7.927 1.00 0.00 H new ATOM 0 HG11 VAL B 68 0.128 -2.568 10.366 1.00 0.00 H new ATOM 0 HG12 VAL B 68 1.345 -3.728 9.782 1.00 0.00 H new ATOM 0 HG13 VAL B 68 1.861 -2.235 10.603 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -0.200 -0.424 9.213 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.519 -0.007 9.415 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.787 -0.006 7.792 1.00 0.00 H new ATOM 2072 N LEU B 69 3.940 -4.072 7.864 1.00 0.00 N ATOM 2073 CA LEU B 69 4.255 -5.436 7.482 1.00 0.00 C ATOM 2074 C LEU B 69 3.747 -6.432 8.519 1.00 0.00 C ATOM 2075 O LEU B 69 3.476 -6.068 9.663 1.00 0.00 O ATOM 2076 CB LEU B 69 5.758 -5.608 7.301 1.00 0.00 C ATOM 2077 CG LEU B 69 6.519 -4.358 6.853 1.00 0.00 C ATOM 2078 CD1 LEU B 69 8.001 -4.543 7.071 1.00 0.00 C ATOM 2079 CD2 LEU B 69 6.250 -4.042 5.398 1.00 0.00 C ATOM 0 H LEU B 69 4.679 -3.592 8.378 1.00 0.00 H new ATOM 0 HA LEU B 69 3.754 -5.636 6.535 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.182 -5.951 8.245 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.929 -6.397 6.569 1.00 0.00 H new ATOM 0 HG LEU B 69 6.167 -3.520 7.455 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.531 -3.647 6.748 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.194 -4.717 8.129 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.350 -5.399 6.493 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.805 -3.149 5.111 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.567 -4.881 4.779 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.184 -3.868 5.255 1.00 0.00 H new ATOM 2091 N HIS B 70 3.642 -7.694 8.111 1.00 0.00 N ATOM 2092 CA HIS B 70 3.176 -8.766 8.990 1.00 0.00 C ATOM 2093 C HIS B 70 4.221 -9.083 10.049 1.00 0.00 C ATOM 2094 O HIS B 70 3.920 -9.677 11.080 1.00 0.00 O ATOM 2095 CB HIS B 70 2.886 -10.040 8.187 1.00 0.00 C ATOM 2096 CG HIS B 70 1.640 -9.976 7.362 1.00 0.00 C ATOM 2097 ND1 HIS B 70 0.376 -9.863 7.892 1.00 0.00 N ATOM 2098 CD2 HIS B 70 1.481 -10.005 6.014 1.00 0.00 C ATOM 2099 CE1 HIS B 70 -0.495 -9.825 6.879 1.00 0.00 C ATOM 2100 NE2 HIS B 70 0.123 -9.910 5.715 1.00 0.00 N ATOM 0 H HIS B 70 3.876 -8.003 7.167 1.00 0.00 H new ATOM 0 HA HIS B 70 2.260 -8.423 9.471 1.00 0.00 H new ATOM 0 HB2 HIS B 70 3.732 -10.243 7.531 1.00 0.00 H new ATOM 0 HB3 HIS B 70 2.809 -10.881 8.877 1.00 0.00 H new ATOM 0 HD1 HIS B 70 0.144 -9.816 8.884 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.278 -10.088 5.290 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.565 -9.736 6.997 1.00 0.00 H new ATOM 2108 N ALA B 71 5.454 -8.681 9.776 1.00 0.00 N ATOM 2109 CA ALA B 71 6.560 -8.928 10.688 1.00 0.00 C ATOM 2110 C ALA B 71 6.450 -8.095 11.959 1.00 0.00 C ATOM 2111 O ALA B 71 7.023 -8.449 12.986 1.00 0.00 O ATOM 2112 CB ALA B 71 7.883 -8.653 9.989 1.00 0.00 C ATOM 0 H ALA B 71 5.714 -8.180 8.926 1.00 0.00 H new ATOM 0 HA ALA B 71 6.517 -9.977 10.983 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.705 -8.841 10.680 1.00 0.00 H new ATOM 0 HB2 ALA B 71 7.980 -9.308 9.123 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.913 -7.613 9.663 1.00 0.00 H new ATOM 2118 N GLY B 72 5.717 -6.991 11.893 1.00 0.00 N ATOM 2119 CA GLY B 72 5.580 -6.143 13.053 1.00 0.00 C ATOM 2120 C GLY B 72 6.473 -4.948 12.900 1.00 0.00 C ATOM 2121 O GLY B 72 7.020 -4.420 13.866 1.00 0.00 O ATOM 0 H GLY B 72 5.219 -6.672 11.062 1.00 0.00 H new ATOM 0 HA2 GLY B 72 4.543 -5.825 13.165 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.843 -6.695 13.955 1.00 0.00 H new ATOM 2125 N ASP B 73 6.593 -4.526 11.657 1.00 0.00 N ATOM 2126 CA ASP B 73 7.416 -3.414 11.282 1.00 0.00 C ATOM 2127 C ASP B 73 6.605 -2.575 10.347 1.00 0.00 C ATOM 2128 O ASP B 73 5.820 -3.103 9.559 1.00 0.00 O ATOM 2129 CB ASP B 73 8.686 -3.878 10.565 1.00 0.00 C ATOM 2130 CG ASP B 73 9.664 -2.740 10.325 1.00 0.00 C ATOM 2131 OD1 ASP B 73 9.511 -2.028 9.308 1.00 0.00 O ATOM 2132 OD2 ASP B 73 10.578 -2.559 11.152 1.00 0.00 O ATOM 0 H ASP B 73 6.109 -4.960 10.871 1.00 0.00 H new ATOM 0 HA ASP B 73 7.722 -2.861 12.170 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.172 -4.653 11.158 1.00 0.00 H new ATOM 0 HB3 ASP B 73 8.417 -4.330 9.610 1.00 0.00 H new ATOM 2137 N THR B 74 6.737 -1.294 10.456 1.00 0.00 N ATOM 2138 CA THR B 74 6.011 -0.424 9.587 1.00 0.00 C ATOM 2139 C THR B 74 6.986 0.540 8.911 1.00 0.00 C ATOM 2140 O THR B 74 7.652 1.333 9.578 1.00 0.00 O ATOM 2141 CB THR B 74 4.941 0.343 10.371 1.00 0.00 C ATOM 2142 OG1 THR B 74 5.533 1.018 11.489 1.00 0.00 O ATOM 2143 CG2 THR B 74 3.848 -0.598 10.860 1.00 0.00 C ATOM 0 H THR B 74 7.338 -0.827 11.135 1.00 0.00 H new ATOM 0 HA THR B 74 5.505 -1.013 8.822 1.00 0.00 H new ATOM 0 HB THR B 74 4.494 1.078 9.702 1.00 0.00 H new ATOM 0 HG1 THR B 74 6.441 1.303 11.256 1.00 0.00 H new ATOM 0 HG21 THR B 74 3.100 -0.030 11.414 1.00 0.00 H new ATOM 0 HG22 THR B 74 3.376 -1.083 10.005 1.00 0.00 H new ATOM 0 HG23 THR B 74 4.284 -1.355 11.511 1.00 0.00 H new ATOM 2151 N THR B 75 7.056 0.473 7.594 1.00 0.00 N ATOM 2152 CA THR B 75 7.961 1.315 6.825 1.00 0.00 C ATOM 2153 C THR B 75 7.290 2.608 6.392 1.00 0.00 C ATOM 2154 O THR B 75 6.482 2.612 5.466 1.00 0.00 O ATOM 2155 CB THR B 75 8.445 0.559 5.578 1.00 0.00 C ATOM 2156 OG1 THR B 75 8.536 -0.842 5.869 1.00 0.00 O ATOM 2157 CG2 THR B 75 9.793 1.082 5.113 1.00 0.00 C ATOM 0 H THR B 75 6.492 -0.161 7.028 1.00 0.00 H new ATOM 0 HA THR B 75 8.806 1.563 7.467 1.00 0.00 H new ATOM 0 HB THR B 75 7.725 0.718 4.776 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.213 -1.357 5.100 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.112 0.530 4.229 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.708 2.141 4.868 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.528 0.951 5.907 1.00 0.00 H new ATOM 2165 N ASN B 76 7.622 3.708 7.049 1.00 0.00 N ATOM 2166 CA ASN B 76 7.018 4.981 6.701 1.00 0.00 C ATOM 2167 C ASN B 76 7.904 5.732 5.703 1.00 0.00 C ATOM 2168 O ASN B 76 9.132 5.701 5.798 1.00 0.00 O ATOM 2169 CB ASN B 76 6.780 5.871 7.932 1.00 0.00 C ATOM 2170 CG ASN B 76 6.546 5.124 9.234 1.00 0.00 C ATOM 2171 OD1 ASN B 76 5.997 4.027 9.259 1.00 0.00 O ATOM 2172 ND2 ASN B 76 6.968 5.731 10.340 1.00 0.00 N ATOM 0 H ASN B 76 8.296 3.745 7.814 1.00 0.00 H new ATOM 0 HA ASN B 76 6.049 4.759 6.253 1.00 0.00 H new ATOM 0 HB2 ASN B 76 7.641 6.527 8.058 1.00 0.00 H new ATOM 0 HB3 ASN B 76 5.918 6.509 7.738 1.00 0.00 H new ATOM 0 HD21 ASN B 76 6.839 5.284 11.248 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.420 6.643 10.280 1.00 0.00 H new ATOM 2179 N PHE B 77 7.265 6.382 4.742 1.00 0.00 N ATOM 2180 CA PHE B 77 7.952 7.154 3.713 1.00 0.00 C ATOM 2181 C PHE B 77 7.385 8.571 3.664 1.00 0.00 C ATOM 2182 O PHE B 77 6.191 8.752 3.462 1.00 0.00 O ATOM 2183 CB PHE B 77 7.797 6.481 2.349 1.00 0.00 C ATOM 2184 CG PHE B 77 8.496 5.157 2.253 1.00 0.00 C ATOM 2185 CD1 PHE B 77 9.832 5.042 2.594 1.00 0.00 C ATOM 2186 CD2 PHE B 77 7.817 4.030 1.823 1.00 0.00 C ATOM 2187 CE1 PHE B 77 10.480 3.827 2.507 1.00 0.00 C ATOM 2188 CE2 PHE B 77 8.461 2.811 1.733 1.00 0.00 C ATOM 2189 CZ PHE B 77 9.793 2.709 2.075 1.00 0.00 C ATOM 0 H PHE B 77 6.249 6.390 4.652 1.00 0.00 H new ATOM 0 HA PHE B 77 9.013 7.201 3.959 1.00 0.00 H new ATOM 0 HB2 PHE B 77 6.736 6.339 2.141 1.00 0.00 H new ATOM 0 HB3 PHE B 77 8.187 7.146 1.578 1.00 0.00 H new ATOM 0 HD1 PHE B 77 10.374 5.913 2.932 1.00 0.00 H new ATOM 0 HD2 PHE B 77 6.773 4.104 1.555 1.00 0.00 H new ATOM 0 HE1 PHE B 77 11.523 3.750 2.776 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.922 1.939 1.395 1.00 0.00 H new ATOM 0 HZ PHE B 77 10.298 1.757 2.005 1.00 0.00 H new ATOM 2199 N HIS B 78 8.246 9.560 3.812 1.00 0.00 N ATOM 2200 CA HIS B 78 7.835 10.962 3.835 1.00 0.00 C ATOM 2201 C HIS B 78 8.115 11.654 2.497 1.00 0.00 C ATOM 2202 O HIS B 78 9.256 11.973 2.173 1.00 0.00 O ATOM 2203 CB HIS B 78 8.575 11.683 4.970 1.00 0.00 C ATOM 2204 CG HIS B 78 8.292 13.154 5.059 1.00 0.00 C ATOM 2205 ND1 HIS B 78 7.130 13.839 4.902 1.00 0.00 N flip ATOM 2206 CD2 HIS B 78 9.255 14.100 5.328 1.00 0.00 C flip ATOM 2207 CE1 HIS B 78 7.377 15.199 5.071 1.00 0.00 C flip ATOM 2208 NE2 HIS B 78 8.668 15.300 5.324 1.00 0.00 N flip ATOM 0 H HIS B 78 9.251 9.420 3.920 1.00 0.00 H new ATOM 0 HA HIS B 78 6.759 11.005 4.005 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.306 11.216 5.917 1.00 0.00 H new ATOM 0 HB3 HIS B 78 9.647 11.539 4.837 1.00 0.00 H new ATOM 0 HD2 HIS B 78 10.302 13.906 5.510 1.00 0.00 H new ATOM 0 HE1 HIS B 78 6.660 16.004 5.008 1.00 0.00 H new ATOM 0 HE2 HIS B 78 9.155 16.180 5.494 1.00 0.00 H new ATOM 2216 N PHE B 79 7.069 11.874 1.720 1.00 0.00 N ATOM 2217 CA PHE B 79 7.186 12.557 0.440 1.00 0.00 C ATOM 2218 C PHE B 79 7.254 14.056 0.723 1.00 0.00 C ATOM 2219 O PHE B 79 6.539 14.552 1.592 1.00 0.00 O ATOM 2220 CB PHE B 79 5.993 12.227 -0.465 1.00 0.00 C ATOM 2221 CG PHE B 79 5.859 10.764 -0.802 1.00 0.00 C ATOM 2222 CD1 PHE B 79 5.530 9.833 0.175 1.00 0.00 C ATOM 2223 CD2 PHE B 79 6.057 10.321 -2.098 1.00 0.00 C ATOM 2224 CE1 PHE B 79 5.404 8.495 -0.137 1.00 0.00 C ATOM 2225 CE2 PHE B 79 5.930 8.982 -2.414 1.00 0.00 C ATOM 2226 CZ PHE B 79 5.604 8.068 -1.433 1.00 0.00 C ATOM 0 H PHE B 79 6.119 11.587 1.955 1.00 0.00 H new ATOM 0 HA PHE B 79 8.084 12.229 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.078 12.561 0.023 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.086 12.795 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.371 10.161 1.192 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.314 11.030 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE B 79 5.149 7.782 0.633 1.00 0.00 H new ATOM 0 HE2 PHE B 79 6.086 8.650 -3.430 1.00 0.00 H new ATOM 0 HZ PHE B 79 5.506 7.021 -1.679 1.00 0.00 H new ATOM 2236 N SER B 80 8.088 14.784 0.000 1.00 0.00 N ATOM 2237 CA SER B 80 8.252 16.207 0.281 1.00 0.00 C ATOM 2238 C SER B 80 7.974 17.131 -0.905 1.00 0.00 C ATOM 2239 O SER B 80 8.233 18.327 -0.814 1.00 0.00 O ATOM 2240 CB SER B 80 9.659 16.459 0.815 1.00 0.00 C ATOM 2241 OG SER B 80 9.944 15.585 1.895 1.00 0.00 O ATOM 0 H SER B 80 8.653 14.427 -0.771 1.00 0.00 H new ATOM 0 HA SER B 80 7.496 16.454 1.026 1.00 0.00 H new ATOM 0 HB2 SER B 80 10.388 16.312 0.018 1.00 0.00 H new ATOM 0 HB3 SER B 80 9.750 17.494 1.144 1.00 0.00 H new ATOM 0 HG SER B 80 9.391 15.827 2.667 1.00 0.00 H new ATOM 2247 N ASN B 81 7.460 16.616 -2.013 1.00 0.00 N ATOM 2248 CA ASN B 81 7.155 17.485 -3.137 1.00 0.00 C ATOM 2249 C ASN B 81 5.800 18.123 -2.880 1.00 0.00 C ATOM 2250 O ASN B 81 4.788 17.626 -3.331 1.00 0.00 O ATOM 2251 CB ASN B 81 7.145 16.709 -4.454 1.00 0.00 C ATOM 2252 CG ASN B 81 7.347 17.597 -5.675 1.00 0.00 C ATOM 2253 OD1 ASN B 81 7.673 17.107 -6.755 1.00 0.00 O ATOM 2254 ND2 ASN B 81 7.195 18.903 -5.518 1.00 0.00 N ATOM 0 H ASN B 81 7.250 15.628 -2.156 1.00 0.00 H new ATOM 0 HA ASN B 81 7.924 18.252 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN B 81 7.930 15.953 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN B 81 6.196 16.181 -4.550 1.00 0.00 H new ATOM 0 HD21 ASN B 81 7.349 19.533 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN B 81 6.924 19.279 -4.610 1.00 0.00 H new ATOM 2261 N GLU B 82 5.816 19.216 -2.137 1.00 0.00 N ATOM 2262 CA GLU B 82 4.608 19.955 -1.730 1.00 0.00 C ATOM 2263 C GLU B 82 3.481 19.988 -2.781 1.00 0.00 C ATOM 2264 O GLU B 82 2.303 19.913 -2.426 1.00 0.00 O ATOM 2265 CB GLU B 82 4.990 21.388 -1.317 1.00 0.00 C ATOM 2266 CG GLU B 82 5.434 22.298 -2.464 1.00 0.00 C ATOM 2267 CD GLU B 82 6.525 21.688 -3.324 1.00 0.00 C ATOM 2268 OE1 GLU B 82 7.648 21.501 -2.821 1.00 0.00 O ATOM 2269 OE2 GLU B 82 6.241 21.357 -4.494 1.00 0.00 O ATOM 0 H GLU B 82 6.679 19.632 -1.787 1.00 0.00 H new ATOM 0 HA GLU B 82 4.196 19.403 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU B 82 4.135 21.846 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.794 21.336 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU B 82 4.572 22.528 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.790 23.242 -2.053 1.00 0.00 H new ATOM 2276 N SER B 83 3.827 20.085 -4.055 1.00 0.00 N ATOM 2277 CA SER B 83 2.826 20.156 -5.110 1.00 0.00 C ATOM 2278 C SER B 83 2.295 18.785 -5.562 1.00 0.00 C ATOM 2279 O SER B 83 1.142 18.683 -5.986 1.00 0.00 O ATOM 2280 CB SER B 83 3.409 20.908 -6.309 1.00 0.00 C ATOM 2281 OG SER B 83 4.776 20.578 -6.502 1.00 0.00 O ATOM 0 H SER B 83 4.792 20.116 -4.384 1.00 0.00 H new ATOM 0 HA SER B 83 1.970 20.687 -4.693 1.00 0.00 H new ATOM 0 HB2 SER B 83 2.842 20.663 -7.207 1.00 0.00 H new ATOM 0 HB3 SER B 83 3.309 21.982 -6.152 1.00 0.00 H new ATOM 0 HG SER B 83 5.336 21.182 -5.972 1.00 0.00 H new ATOM 2287 N THR B 84 3.098 17.728 -5.465 1.00 0.00 N ATOM 2288 CA THR B 84 2.647 16.418 -5.942 1.00 0.00 C ATOM 2289 C THR B 84 2.755 15.292 -4.929 1.00 0.00 C ATOM 2290 O THR B 84 2.085 14.276 -5.088 1.00 0.00 O ATOM 2291 CB THR B 84 3.451 15.978 -7.162 1.00 0.00 C ATOM 2292 OG1 THR B 84 4.839 15.862 -6.818 1.00 0.00 O ATOM 2293 CG2 THR B 84 3.306 16.971 -8.290 1.00 0.00 C ATOM 0 H THR B 84 4.039 17.746 -5.072 1.00 0.00 H new ATOM 0 HA THR B 84 1.592 16.576 -6.167 1.00 0.00 H new ATOM 0 HB THR B 84 3.066 15.012 -7.488 1.00 0.00 H new ATOM 0 HG1 THR B 84 4.957 15.129 -6.178 1.00 0.00 H new ATOM 0 HG21 THR B 84 3.888 16.635 -9.148 1.00 0.00 H new ATOM 0 HG22 THR B 84 2.256 17.050 -8.573 1.00 0.00 H new ATOM 0 HG23 THR B 84 3.669 17.946 -7.965 1.00 0.00 H new ATOM 2301 N ALA B 85 3.599 15.472 -3.920 1.00 0.00 N ATOM 2302 CA ALA B 85 3.852 14.463 -2.891 1.00 0.00 C ATOM 2303 C ALA B 85 2.612 13.655 -2.550 1.00 0.00 C ATOM 2304 O ALA B 85 2.645 12.430 -2.590 1.00 0.00 O ATOM 2305 CB ALA B 85 4.419 15.117 -1.644 1.00 0.00 C ATOM 0 H ALA B 85 4.134 16.331 -3.789 1.00 0.00 H new ATOM 0 HA ALA B 85 4.583 13.764 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA B 85 4.603 14.356 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA B 85 5.355 15.618 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA B 85 3.706 15.847 -1.260 1.00 0.00 H new ATOM 2311 N VAL B 86 1.527 14.344 -2.212 1.00 0.00 N ATOM 2312 CA VAL B 86 0.264 13.687 -1.884 1.00 0.00 C ATOM 2313 C VAL B 86 -0.134 12.657 -2.943 1.00 0.00 C ATOM 2314 O VAL B 86 -0.342 11.490 -2.624 1.00 0.00 O ATOM 2315 CB VAL B 86 -0.863 14.726 -1.692 1.00 0.00 C ATOM 2316 CG1 VAL B 86 -2.199 14.167 -2.137 1.00 0.00 C ATOM 2317 CG2 VAL B 86 -0.966 15.157 -0.239 1.00 0.00 C ATOM 0 H VAL B 86 1.496 15.362 -2.158 1.00 0.00 H new ATOM 0 HA VAL B 86 0.412 13.155 -0.945 1.00 0.00 H new ATOM 0 HB VAL B 86 -0.612 15.591 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -2.975 14.919 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -2.148 13.898 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -2.437 13.281 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -1.767 15.889 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -1.182 14.289 0.384 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -0.023 15.603 0.076 1.00 0.00 H new ATOM 2327 N LYS B 87 -0.195 13.082 -4.197 1.00 0.00 N ATOM 2328 CA LYS B 87 -0.576 12.191 -5.283 1.00 0.00 C ATOM 2329 C LYS B 87 0.500 11.139 -5.508 1.00 0.00 C ATOM 2330 O LYS B 87 0.196 10.018 -5.889 1.00 0.00 O ATOM 2331 CB LYS B 87 -0.838 12.982 -6.570 1.00 0.00 C ATOM 2332 CG LYS B 87 -2.173 13.716 -6.576 1.00 0.00 C ATOM 2333 CD LYS B 87 -2.073 15.086 -5.918 1.00 0.00 C ATOM 2334 CE LYS B 87 -3.453 15.684 -5.660 1.00 0.00 C ATOM 2335 NZ LYS B 87 -4.204 14.934 -4.616 1.00 0.00 N ATOM 0 H LYS B 87 0.014 14.037 -4.487 1.00 0.00 H new ATOM 0 HA LYS B 87 -1.500 11.685 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -0.035 13.705 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -0.805 12.299 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -2.519 13.831 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -2.919 13.117 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -1.531 15.000 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -1.498 15.757 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -3.345 16.724 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -4.026 15.685 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.215 14.916 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -3.844 13.960 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -4.079 15.401 -3.695 1.00 0.00 H new ATOM 2349 N GLU B 88 1.753 11.504 -5.265 1.00 0.00 N ATOM 2350 CA GLU B 88 2.864 10.571 -5.417 1.00 0.00 C ATOM 2351 C GLU B 88 2.721 9.440 -4.397 1.00 0.00 C ATOM 2352 O GLU B 88 2.839 8.258 -4.733 1.00 0.00 O ATOM 2353 CB GLU B 88 4.202 11.297 -5.240 1.00 0.00 C ATOM 2354 CG GLU B 88 4.560 12.208 -6.406 1.00 0.00 C ATOM 2355 CD GLU B 88 5.886 12.921 -6.213 1.00 0.00 C ATOM 2356 OE1 GLU B 88 5.948 13.858 -5.386 1.00 0.00 O ATOM 2357 OE2 GLU B 88 6.870 12.565 -6.897 1.00 0.00 O ATOM 0 H GLU B 88 2.026 12.439 -4.962 1.00 0.00 H new ATOM 0 HA GLU B 88 2.844 10.147 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU B 88 4.167 11.889 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU B 88 4.993 10.558 -5.111 1.00 0.00 H new ATOM 0 HG2 GLU B 88 4.600 11.619 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU B 88 3.771 12.948 -6.538 1.00 0.00 H new ATOM 2364 N ARG B 89 2.445 9.815 -3.151 1.00 0.00 N ATOM 2365 CA ARG B 89 2.247 8.848 -2.078 1.00 0.00 C ATOM 2366 C ARG B 89 0.986 8.047 -2.342 1.00 0.00 C ATOM 2367 O ARG B 89 0.977 6.823 -2.226 1.00 0.00 O ATOM 2368 CB ARG B 89 2.125 9.551 -0.726 1.00 0.00 C ATOM 2369 CG ARG B 89 1.602 8.647 0.382 1.00 0.00 C ATOM 2370 CD ARG B 89 1.050 9.436 1.564 1.00 0.00 C ATOM 2371 NE ARG B 89 0.100 10.478 1.166 1.00 0.00 N ATOM 2372 CZ ARG B 89 -1.062 10.253 0.546 1.00 0.00 C ATOM 2373 NH1 ARG B 89 -1.473 9.013 0.307 1.00 0.00 N ATOM 2374 NH2 ARG B 89 -1.829 11.277 0.199 1.00 0.00 N ATOM 0 H ARG B 89 2.353 10.788 -2.859 1.00 0.00 H new ATOM 0 HA ARG B 89 3.111 8.184 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG B 89 3.102 9.939 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG B 89 1.460 10.408 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG B 89 0.820 8.002 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG B 89 2.406 7.997 0.726 1.00 0.00 H new ATOM 0 HD2 ARG B 89 0.559 8.750 2.254 1.00 0.00 H new ATOM 0 HD3 ARG B 89 1.877 9.895 2.105 1.00 0.00 H new ATOM 0 HE ARG B 89 0.343 11.446 1.378 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -0.900 8.221 0.597 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.362 8.853 -0.167 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.531 12.230 0.406 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.717 11.112 -0.275 1.00 0.00 H new ATOM 2388 N ASP B 90 -0.081 8.758 -2.689 1.00 0.00 N ATOM 2389 CA ASP B 90 -1.361 8.135 -2.989 1.00 0.00 C ATOM 2390 C ASP B 90 -1.233 7.160 -4.133 1.00 0.00 C ATOM 2391 O ASP B 90 -1.889 6.127 -4.147 1.00 0.00 O ATOM 2392 CB ASP B 90 -2.424 9.190 -3.318 1.00 0.00 C ATOM 2393 CG ASP B 90 -3.199 9.613 -2.093 1.00 0.00 C ATOM 2394 OD1 ASP B 90 -3.583 8.718 -1.305 1.00 0.00 O ATOM 2395 OD2 ASP B 90 -3.400 10.825 -1.890 1.00 0.00 O ATOM 0 H ASP B 90 -0.082 9.775 -2.769 1.00 0.00 H new ATOM 0 HA ASP B 90 -1.676 7.590 -2.099 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -1.944 10.062 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -3.113 8.791 -4.063 1.00 0.00 H new ATOM 2400 N ALA B 91 -0.354 7.478 -5.056 1.00 0.00 N ATOM 2401 CA ALA B 91 -0.129 6.632 -6.228 1.00 0.00 C ATOM 2402 C ALA B 91 0.529 5.333 -5.820 1.00 0.00 C ATOM 2403 O ALA B 91 0.097 4.244 -6.199 1.00 0.00 O ATOM 2404 CB ALA B 91 0.751 7.350 -7.228 1.00 0.00 C ATOM 0 H ALA B 91 0.224 8.318 -5.026 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.094 6.415 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA B 91 0.912 6.711 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.266 8.274 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.711 7.583 -6.767 1.00 0.00 H new ATOM 2410 N VAL B 92 1.589 5.475 -5.052 1.00 0.00 N ATOM 2411 CA VAL B 92 2.337 4.351 -4.540 1.00 0.00 C ATOM 2412 C VAL B 92 1.399 3.468 -3.737 1.00 0.00 C ATOM 2413 O VAL B 92 1.338 2.256 -3.917 1.00 0.00 O ATOM 2414 CB VAL B 92 3.478 4.880 -3.655 1.00 0.00 C ATOM 2415 CG1 VAL B 92 3.842 3.916 -2.544 1.00 0.00 C ATOM 2416 CG2 VAL B 92 4.694 5.189 -4.497 1.00 0.00 C ATOM 0 H VAL B 92 1.957 6.382 -4.765 1.00 0.00 H new ATOM 0 HA VAL B 92 2.764 3.765 -5.353 1.00 0.00 H new ATOM 0 HB VAL B 92 3.120 5.795 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.652 4.336 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.973 3.749 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.163 2.968 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.494 5.563 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.027 4.282 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.440 5.945 -5.239 1.00 0.00 H new ATOM 2426 N LYS B 93 0.639 4.137 -2.895 1.00 0.00 N ATOM 2427 CA LYS B 93 -0.345 3.522 -2.029 1.00 0.00 C ATOM 2428 C LYS B 93 -1.404 2.806 -2.838 1.00 0.00 C ATOM 2429 O LYS B 93 -1.841 1.718 -2.478 1.00 0.00 O ATOM 2430 CB LYS B 93 -0.985 4.637 -1.222 1.00 0.00 C ATOM 2431 CG LYS B 93 -2.296 4.274 -0.572 1.00 0.00 C ATOM 2432 CD LYS B 93 -3.064 5.530 -0.240 1.00 0.00 C ATOM 2433 CE LYS B 93 -4.321 5.665 -1.067 1.00 0.00 C ATOM 2434 NZ LYS B 93 -4.051 6.131 -2.456 1.00 0.00 N ATOM 0 H LYS B 93 0.690 5.150 -2.791 1.00 0.00 H new ATOM 0 HA LYS B 93 0.130 2.784 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -0.286 4.953 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.145 5.494 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -2.882 3.644 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -2.116 3.696 0.334 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.326 5.525 0.818 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.427 6.398 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -4.831 4.702 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -4.998 6.366 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -4.720 5.678 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -4.165 7.164 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -3.079 5.877 -2.725 1.00 0.00 H new ATOM 2448 N ASP B 94 -1.826 3.437 -3.922 1.00 0.00 N ATOM 2449 CA ASP B 94 -2.837 2.863 -4.781 1.00 0.00 C ATOM 2450 C ASP B 94 -2.384 1.509 -5.284 1.00 0.00 C ATOM 2451 O ASP B 94 -3.031 0.493 -5.034 1.00 0.00 O ATOM 2452 CB ASP B 94 -3.147 3.782 -5.953 1.00 0.00 C ATOM 2453 CG ASP B 94 -4.286 4.731 -5.630 1.00 0.00 C ATOM 2454 OD1 ASP B 94 -4.809 4.667 -4.488 1.00 0.00 O ATOM 2455 OD2 ASP B 94 -4.651 5.541 -6.498 1.00 0.00 O ATOM 0 H ASP B 94 -1.481 4.348 -4.224 1.00 0.00 H new ATOM 0 HA ASP B 94 -3.749 2.740 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -2.257 4.355 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -3.407 3.184 -6.827 1.00 0.00 H new ATOM 2460 N LEU B 95 -1.249 1.510 -5.970 1.00 0.00 N ATOM 2461 CA LEU B 95 -0.665 0.291 -6.509 1.00 0.00 C ATOM 2462 C LEU B 95 -0.428 -0.719 -5.393 1.00 0.00 C ATOM 2463 O LEU B 95 -0.807 -1.886 -5.506 1.00 0.00 O ATOM 2464 CB LEU B 95 0.642 0.626 -7.228 1.00 0.00 C ATOM 2465 CG LEU B 95 0.638 0.430 -8.752 1.00 0.00 C ATOM 2466 CD1 LEU B 95 -0.779 0.473 -9.308 1.00 0.00 C ATOM 2467 CD2 LEU B 95 1.494 1.497 -9.417 1.00 0.00 C ATOM 0 H LEU B 95 -0.710 2.353 -6.168 1.00 0.00 H new ATOM 0 HA LEU B 95 -1.355 -0.155 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU B 95 0.895 1.665 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU B 95 1.436 0.011 -6.804 1.00 0.00 H new ATOM 0 HG LEU B 95 1.057 -0.553 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -0.750 0.332 -10.388 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -1.372 -0.321 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.230 1.439 -9.080 1.00 0.00 H new ATOM 0 HD21 LEU B 95 1.485 1.350 -10.497 1.00 0.00 H new ATOM 0 HD22 LEU B 95 1.094 2.483 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU B 95 2.518 1.424 -9.049 1.00 0.00 H new ATOM 2479 N LEU B 96 0.166 -0.238 -4.310 1.00 0.00 N ATOM 2480 CA LEU B 96 0.462 -1.053 -3.138 1.00 0.00 C ATOM 2481 C LEU B 96 -0.779 -1.792 -2.649 1.00 0.00 C ATOM 2482 O LEU B 96 -0.829 -3.023 -2.662 1.00 0.00 O ATOM 2483 CB LEU B 96 1.002 -0.148 -2.032 1.00 0.00 C ATOM 2484 CG LEU B 96 2.495 0.137 -2.114 1.00 0.00 C ATOM 2485 CD1 LEU B 96 2.885 1.193 -1.097 1.00 0.00 C ATOM 2486 CD2 LEU B 96 3.295 -1.135 -1.906 1.00 0.00 C ATOM 0 H LEU B 96 0.458 0.735 -4.218 1.00 0.00 H new ATOM 0 HA LEU B 96 1.207 -1.802 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU B 96 0.463 0.799 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU B 96 0.786 -0.608 -1.068 1.00 0.00 H new ATOM 0 HG LEU B 96 2.722 0.518 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU B 96 3.955 1.387 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU B 96 2.335 2.113 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU B 96 2.645 0.839 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU B 96 4.360 -0.910 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU B 96 3.069 -1.550 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU B 96 3.032 -1.860 -2.676 1.00 0.00 H new ATOM 2498 N GLN B 97 -1.773 -1.018 -2.243 1.00 0.00 N ATOM 2499 CA GLN B 97 -3.040 -1.537 -1.746 1.00 0.00 C ATOM 2500 C GLN B 97 -3.669 -2.585 -2.683 1.00 0.00 C ATOM 2501 O GLN B 97 -4.130 -3.626 -2.224 1.00 0.00 O ATOM 2502 CB GLN B 97 -3.978 -0.354 -1.494 1.00 0.00 C ATOM 2503 CG GLN B 97 -5.449 -0.620 -1.717 1.00 0.00 C ATOM 2504 CD GLN B 97 -6.191 0.637 -2.136 1.00 0.00 C ATOM 2505 OE1 GLN B 97 -5.518 1.499 -2.890 1.00 0.00 O flip ATOM 2506 NE2 GLN B 97 -7.351 0.835 -1.791 1.00 0.00 N flip ATOM 0 H GLN B 97 -1.723 0.001 -2.249 1.00 0.00 H new ATOM 0 HA GLN B 97 -2.860 -2.071 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -3.841 -0.019 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -3.675 0.469 -2.141 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -5.568 -1.385 -2.484 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -5.890 -1.015 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.835 0.149 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.832 1.686 -2.084 1.00 0.00 H new ATOM 2515 N GLN B 98 -3.640 -2.332 -3.992 1.00 0.00 N ATOM 2516 CA GLN B 98 -4.243 -3.254 -4.972 1.00 0.00 C ATOM 2517 C GLN B 98 -3.475 -4.561 -5.115 1.00 0.00 C ATOM 2518 O GLN B 98 -4.068 -5.632 -5.271 1.00 0.00 O ATOM 2519 CB GLN B 98 -4.299 -2.637 -6.376 1.00 0.00 C ATOM 2520 CG GLN B 98 -4.905 -1.248 -6.456 1.00 0.00 C ATOM 2521 CD GLN B 98 -6.324 -1.168 -5.940 1.00 0.00 C ATOM 2522 OE1 GLN B 98 -7.110 -2.101 -6.082 1.00 0.00 O ATOM 2523 NE2 GLN B 98 -6.653 -0.038 -5.343 1.00 0.00 N ATOM 0 H GLN B 98 -3.210 -1.503 -4.402 1.00 0.00 H new ATOM 0 HA GLN B 98 -5.242 -3.446 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -3.286 -2.596 -6.776 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -4.871 -3.302 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -4.282 -0.557 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -4.887 -0.913 -7.493 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -5.964 0.709 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -7.596 0.089 -4.975 1.00 0.00 H new ATOM 2532 N LEU B 99 -2.161 -4.474 -5.107 1.00 0.00 N ATOM 2533 CA LEU B 99 -1.324 -5.645 -5.320 1.00 0.00 C ATOM 2534 C LEU B 99 -1.098 -6.463 -4.055 1.00 0.00 C ATOM 2535 O LEU B 99 -0.890 -7.674 -4.130 1.00 0.00 O ATOM 2536 CB LEU B 99 0.011 -5.213 -5.909 1.00 0.00 C ATOM 2537 CG LEU B 99 -0.087 -4.474 -7.241 1.00 0.00 C ATOM 2538 CD1 LEU B 99 1.058 -3.485 -7.388 1.00 0.00 C ATOM 2539 CD2 LEU B 99 -0.085 -5.463 -8.395 1.00 0.00 C ATOM 0 H LEU B 99 -1.646 -3.607 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 99 -1.855 -6.295 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU B 99 0.519 -4.571 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.635 -6.096 -6.044 1.00 0.00 H new ATOM 0 HG LEU B 99 -1.025 -3.919 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.972 -2.968 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU B 99 1.017 -2.758 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU B 99 2.007 -4.019 -7.349 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.155 -4.922 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.839 -6.042 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.937 -6.136 -8.299 1.00 0.00 H new ATOM 2551 N LEU B 100 -1.169 -5.803 -2.912 1.00 0.00 N ATOM 2552 CA LEU B 100 -0.941 -6.435 -1.612 1.00 0.00 C ATOM 2553 C LEU B 100 -1.622 -7.797 -1.414 1.00 0.00 C ATOM 2554 O LEU B 100 -0.934 -8.788 -1.194 1.00 0.00 O ATOM 2555 CB LEU B 100 -1.371 -5.498 -0.497 1.00 0.00 C ATOM 2556 CG LEU B 100 -0.289 -4.575 0.019 1.00 0.00 C ATOM 2557 CD1 LEU B 100 -0.862 -3.685 1.108 1.00 0.00 C ATOM 2558 CD2 LEU B 100 0.891 -5.395 0.522 1.00 0.00 C ATOM 0 H LEU B 100 -1.387 -4.808 -2.853 1.00 0.00 H new ATOM 0 HA LEU B 100 0.131 -6.632 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.204 -4.892 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.744 -6.095 0.335 1.00 0.00 H new ATOM 0 HG LEU B 100 0.072 -3.934 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.084 -3.019 1.481 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.681 -3.093 0.700 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.233 -4.303 1.925 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.668 -4.726 0.893 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.561 -6.050 1.328 1.00 0.00 H new ATOM 0 HD23 LEU B 100 1.290 -5.997 -0.294 1.00 0.00 H new ATOM 2570 N PRO B 101 -2.965 -7.895 -1.524 1.00 0.00 N ATOM 2571 CA PRO B 101 -3.681 -9.159 -1.271 1.00 0.00 C ATOM 2572 C PRO B 101 -3.325 -10.283 -2.243 1.00 0.00 C ATOM 2573 O PRO B 101 -3.710 -11.435 -2.039 1.00 0.00 O ATOM 2574 CB PRO B 101 -5.154 -8.769 -1.420 1.00 0.00 C ATOM 2575 CG PRO B 101 -5.138 -7.567 -2.295 1.00 0.00 C ATOM 2576 CD PRO B 101 -3.891 -6.819 -1.929 1.00 0.00 C ATOM 0 HA PRO B 101 -3.418 -9.565 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.734 -9.576 -1.866 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -5.605 -8.549 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -5.131 -7.849 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.025 -6.953 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -3.502 -6.247 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.068 -6.112 -1.118 1.00 0.00 H new ATOM 2584 N LYS B 102 -2.588 -9.963 -3.294 1.00 0.00 N ATOM 2585 CA LYS B 102 -2.201 -10.969 -4.268 1.00 0.00 C ATOM 2586 C LYS B 102 -0.851 -11.574 -3.909 1.00 0.00 C ATOM 2587 O LYS B 102 -0.494 -12.647 -4.392 1.00 0.00 O ATOM 2588 CB LYS B 102 -2.165 -10.378 -5.678 1.00 0.00 C ATOM 2589 CG LYS B 102 -3.539 -10.261 -6.318 1.00 0.00 C ATOM 2590 CD LYS B 102 -3.968 -8.811 -6.474 1.00 0.00 C ATOM 2591 CE LYS B 102 -3.108 -8.075 -7.490 1.00 0.00 C ATOM 2592 NZ LYS B 102 -3.583 -6.682 -7.708 1.00 0.00 N ATOM 0 H LYS B 102 -2.248 -9.022 -3.493 1.00 0.00 H new ATOM 0 HA LYS B 102 -2.950 -11.761 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -1.705 -9.390 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -1.530 -11.000 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -3.527 -10.744 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -4.270 -10.793 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -5.012 -8.772 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.904 -8.307 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.074 -8.057 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -3.120 -8.616 -8.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.770 -6.065 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -4.241 -6.661 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -4.071 -6.344 -6.854 1.00 0.00 H new ATOM 2606 N PHE B 103 -0.107 -10.885 -3.055 1.00 0.00 N ATOM 2607 CA PHE B 103 1.197 -11.361 -2.637 1.00 0.00 C ATOM 2608 C PHE B 103 1.208 -11.664 -1.146 1.00 0.00 C ATOM 2609 O PHE B 103 2.019 -12.455 -0.678 1.00 0.00 O ATOM 2610 CB PHE B 103 2.272 -10.333 -2.993 1.00 0.00 C ATOM 2611 CG PHE B 103 2.370 -10.068 -4.471 1.00 0.00 C ATOM 2612 CD1 PHE B 103 2.886 -11.028 -5.326 1.00 0.00 C ATOM 2613 CD2 PHE B 103 1.940 -8.864 -5.004 1.00 0.00 C ATOM 2614 CE1 PHE B 103 2.970 -10.792 -6.685 1.00 0.00 C ATOM 2615 CE2 PHE B 103 2.023 -8.622 -6.363 1.00 0.00 C ATOM 2616 CZ PHE B 103 2.540 -9.588 -7.204 1.00 0.00 C ATOM 0 H PHE B 103 -0.387 -9.996 -2.640 1.00 0.00 H new ATOM 0 HA PHE B 103 1.416 -12.288 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE B 103 2.057 -9.398 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE B 103 3.237 -10.685 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE B 103 3.227 -11.972 -4.926 1.00 0.00 H new ATOM 0 HD2 PHE B 103 1.535 -8.105 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE B 103 3.372 -11.550 -7.341 1.00 0.00 H new ATOM 0 HE2 PHE B 103 1.684 -7.679 -6.766 1.00 0.00 H new ATOM 0 HZ PHE B 103 2.608 -9.401 -8.266 1.00 0.00 H new ATOM 2626 N LYS B 104 0.269 -11.059 -0.426 1.00 0.00 N ATOM 2627 CA LYS B 104 0.142 -11.221 1.020 1.00 0.00 C ATOM 2628 C LYS B 104 0.118 -12.696 1.432 1.00 0.00 C ATOM 2629 O LYS B 104 -0.871 -13.405 1.209 1.00 0.00 O ATOM 2630 CB LYS B 104 -1.129 -10.501 1.491 1.00 0.00 C ATOM 2631 CG LYS B 104 -1.688 -11.004 2.809 1.00 0.00 C ATOM 2632 CD LYS B 104 -2.814 -10.120 3.310 1.00 0.00 C ATOM 2633 CE LYS B 104 -2.297 -8.767 3.763 1.00 0.00 C ATOM 2634 NZ LYS B 104 -3.338 -7.995 4.484 1.00 0.00 N ATOM 0 H LYS B 104 -0.431 -10.438 -0.831 1.00 0.00 H new ATOM 0 HA LYS B 104 1.016 -10.779 1.498 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -0.914 -9.437 1.585 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -1.895 -10.605 0.723 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -2.053 -12.024 2.685 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -0.892 -11.038 3.553 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -3.551 -9.983 2.518 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -3.324 -10.612 4.138 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -1.433 -8.907 4.412 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -1.957 -8.199 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -2.976 -7.045 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -4.186 -7.913 3.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -3.583 -8.485 5.368 1.00 0.00 H new