USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=37 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 78 HIS : no HE2:sc= -0.638 X(o=-2.4,f=-2.6) USER MOD Set 1.2: B 80 SER OG : rot -70:sc= -1.75! USER MOD Set 2.1: B 62 LYS NZ :NH3+ -176:sc= 0.0305 (180deg=-0.778) USER MOD Set 2.2: B 64 GLN : amide:sc= -1.76! C(o=-1.7!,f=-11!) USER MOD Set 3.1: B 54 LYS NZ :NH3+ 166:sc= 2.07 (180deg=0.804) USER MOD Set 3.2: B 66 GLN : amide:sc= 0.278! C(o=2.8!,f=-12!) USER MOD Set 3.3: B 74 THR OG1 : rot 38:sc= 0.195 USER MOD Set 3.4: B 76 ASN : amide:sc= 0.278 K(o=2.8,f=-11!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ -165:sc= 1.77 (180deg=0.419) USER MOD Set 4.2: B 52 CYS SG : rot 10:sc= 1.33 USER MOD Set 5.1: B 45 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Set 5.2: B 75 THR OG1 : rot 140:sc= 0 USER MOD Set 6.1: B 17 GLN : amide:sc= -0.186 K(o=-0.053,f=-1.9) USER MOD Set 6.2: B 20 GLN : amide:sc= 0.133 K(o=-0.053,f=-0.99) USER MOD Set 7.1: B 14 LYS NZ :NH3+ 175:sc= -0.806! (180deg=-1.51!) USER MOD Set 7.2: B 81 ASN : amide:sc= 0.743 K(o=-0.063,f=-20!) USER MOD Set 8.1: A 405 TYR OH : rot -32:sc= -0.0663 USER MOD Set 8.2: A 426 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 397 MET CE :methyl -155:sc= -0.15 (180deg=-0.768) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot -100:sc= 0.924 USER MOD Single : A 409 SER OG : rot -88:sc= 0.652 USER MOD Single : A 410 GLN : amide:sc= -1.03 X(o=-1,f=-0.54) USER MOD Single : A 417 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.11) USER MOD Single : A 418 MET CE :methyl -142:sc= -4.43! (180deg=-5.95!) USER MOD Single : A 419 THR OG1 : rot 159:sc= 0.972 USER MOD Single : A 423 LYS NZ :NH3+ -141:sc= -2.06! (180deg=-4.43!) USER MOD Single : A 429 MET CE :methyl 177:sc= -5.35! (180deg=-5.7!) USER MOD Single : A 431 GLN : amide:sc= 0.735 K(o=0.73,f=-1.5!) USER MOD Single : A 433 MET CE :methyl -144:sc= -4.18! (180deg=-6.34!) USER MOD Single : B 13 LYS NZ :NH3+ -118:sc= 1.03 (180deg=-1.41!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 145:sc= -3.87! (180deg=-6.23!) USER MOD Single : B 38 LYS NZ :NH3+ -173:sc= 2.41 (180deg=2.33) USER MOD Single : B 42 THR OG1 : rot -170:sc= -0.0898 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -127:sc= -2.73 (180deg=-2.94!) USER MOD Single : B 47 TYR OH : rot 180:sc= -0.243 USER MOD Single : B 53 GLN : amide:sc= -7.38! C(o=-7.4!,f=-12!) USER MOD Single : B 56 SER OG : rot -22:sc= 0.0962! USER MOD Single : B 60 LYS NZ :NH3+ -131:sc= 0.728 (180deg=-4.21!) USER MOD Single : B 70 HIS : no HE2:sc= -4.12 K(o=-4.1,f=-9.1!) USER MOD Single : B 83 SER OG : rot 180:sc= 0.0468 USER MOD Single : B 84 THR OG1 : rot 128:sc= 1.2 USER MOD Single : B 87 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.24) USER MOD Single : B 93 LYS NZ :NH3+ 147:sc= 2.73 (180deg=0.097) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 98 GLN : amide:sc= -0.0435 X(o=-0.044,f=-0.26) USER MOD Single : B 102 LYS NZ :NH3+ -168:sc= 0.538 (180deg=0.423) USER MOD Single : B 104 LYS NZ :NH3+ -131:sc= 1.44 (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 382 10.733 11.174 10.840 1.00 0.00 N ATOM 59 CA GLU A 382 9.693 10.636 9.964 1.00 0.00 C ATOM 60 C GLU A 382 8.848 9.613 10.722 1.00 0.00 C ATOM 61 O GLU A 382 8.787 8.434 10.375 1.00 0.00 O ATOM 62 CB GLU A 382 10.304 10.038 8.692 1.00 0.00 C ATOM 63 CG GLU A 382 10.635 11.091 7.643 1.00 0.00 C ATOM 64 CD GLU A 382 12.122 11.217 7.366 1.00 0.00 C ATOM 65 OE1 GLU A 382 12.910 11.309 8.327 1.00 0.00 O ATOM 66 OE2 GLU A 382 12.511 11.220 6.174 1.00 0.00 O ATOM 0 HA GLU A 382 9.038 11.450 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.212 9.493 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.609 9.314 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 382 10.119 10.844 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 382 10.251 12.056 7.974 1.00 0.00 H new ATOM 73 N GLU A 383 8.212 10.102 11.776 1.00 0.00 N ATOM 74 CA GLU A 383 7.374 9.296 12.659 1.00 0.00 C ATOM 75 C GLU A 383 5.974 9.015 12.074 1.00 0.00 C ATOM 76 O GLU A 383 5.834 8.241 11.131 1.00 0.00 O ATOM 77 CB GLU A 383 7.290 9.962 14.059 1.00 0.00 C ATOM 78 CG GLU A 383 6.696 11.384 14.114 1.00 0.00 C ATOM 79 CD GLU A 383 7.183 12.307 13.011 1.00 0.00 C ATOM 80 OE1 GLU A 383 8.342 12.748 13.069 1.00 0.00 O ATOM 81 OE2 GLU A 383 6.419 12.550 12.054 1.00 0.00 O ATOM 0 H GLU A 383 8.263 11.084 12.048 1.00 0.00 H new ATOM 0 HA GLU A 383 7.848 8.319 12.759 1.00 0.00 H new ATOM 0 HB2 GLU A 383 6.694 9.319 14.707 1.00 0.00 H new ATOM 0 HB3 GLU A 383 8.295 9.996 14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 383 5.610 11.314 14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 383 6.939 11.830 15.079 1.00 0.00 H new ATOM 88 N ASP A 384 4.948 9.649 12.634 1.00 0.00 N ATOM 89 CA ASP A 384 3.569 9.448 12.193 1.00 0.00 C ATOM 90 C ASP A 384 2.950 10.793 11.853 1.00 0.00 C ATOM 91 O ASP A 384 2.599 11.049 10.702 1.00 0.00 O ATOM 92 CB ASP A 384 2.752 8.741 13.287 1.00 0.00 C ATOM 93 CG ASP A 384 1.391 8.253 12.802 1.00 0.00 C ATOM 94 OD1 ASP A 384 0.504 9.092 12.555 1.00 0.00 O ATOM 95 OD2 ASP A 384 1.203 7.017 12.687 1.00 0.00 O ATOM 0 H ASP A 384 5.046 10.313 13.402 1.00 0.00 H new ATOM 0 HA ASP A 384 3.564 8.815 11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 384 3.321 7.892 13.665 1.00 0.00 H new ATOM 0 HB3 ASP A 384 2.608 9.425 14.123 1.00 0.00 H new ATOM 100 N ASP A 385 2.826 11.647 12.870 1.00 0.00 N ATOM 101 CA ASP A 385 2.280 12.999 12.714 1.00 0.00 C ATOM 102 C ASP A 385 0.762 12.977 12.502 1.00 0.00 C ATOM 103 O ASP A 385 0.022 13.597 13.265 1.00 0.00 O ATOM 104 CB ASP A 385 2.999 13.728 11.559 1.00 0.00 C ATOM 105 CG ASP A 385 2.625 15.194 11.404 1.00 0.00 C ATOM 106 OD1 ASP A 385 1.715 15.675 12.105 1.00 0.00 O ATOM 107 OD2 ASP A 385 3.223 15.867 10.536 1.00 0.00 O ATOM 0 H ASP A 385 3.101 11.422 13.826 1.00 0.00 H new ATOM 0 HA ASP A 385 2.460 13.549 13.638 1.00 0.00 H new ATOM 0 HB2 ASP A 385 4.075 13.656 11.716 1.00 0.00 H new ATOM 0 HB3 ASP A 385 2.777 13.210 10.626 1.00 0.00 H new ATOM 112 N GLU A 386 0.300 12.224 11.506 1.00 0.00 N ATOM 113 CA GLU A 386 -1.112 12.148 11.180 1.00 0.00 C ATOM 114 C GLU A 386 -1.297 11.120 10.087 1.00 0.00 C ATOM 115 O GLU A 386 -1.273 11.465 8.906 1.00 0.00 O ATOM 116 CB GLU A 386 -1.599 13.486 10.651 1.00 0.00 C ATOM 117 CG GLU A 386 -2.573 14.231 11.542 1.00 0.00 C ATOM 118 CD GLU A 386 -3.218 15.399 10.826 1.00 0.00 C ATOM 119 OE1 GLU A 386 -2.492 16.360 10.486 1.00 0.00 O ATOM 120 OE2 GLU A 386 -4.438 15.355 10.589 1.00 0.00 O ATOM 0 H GLU A 386 0.896 11.653 10.907 1.00 0.00 H new ATOM 0 HA GLU A 386 -1.673 11.880 12.076 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -0.733 14.124 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.073 13.322 9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -3.347 13.545 11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -2.050 14.593 12.428 1.00 0.00 H new ATOM 127 N PHE A 387 -1.432 9.866 10.454 1.00 0.00 N ATOM 128 CA PHE A 387 -1.592 8.834 9.451 1.00 0.00 C ATOM 129 C PHE A 387 -2.909 8.091 9.579 1.00 0.00 C ATOM 130 O PHE A 387 -3.327 7.712 10.673 1.00 0.00 O ATOM 131 CB PHE A 387 -0.443 7.824 9.526 1.00 0.00 C ATOM 132 CG PHE A 387 0.892 8.361 9.107 1.00 0.00 C ATOM 133 CD1 PHE A 387 0.978 9.493 8.322 1.00 0.00 C ATOM 134 CD2 PHE A 387 2.065 7.736 9.504 1.00 0.00 C ATOM 135 CE1 PHE A 387 2.195 9.997 7.949 1.00 0.00 C ATOM 136 CE2 PHE A 387 3.288 8.238 9.124 1.00 0.00 C ATOM 137 CZ PHE A 387 3.347 9.371 8.349 1.00 0.00 C ATOM 0 H PHE A 387 -1.435 9.538 11.420 1.00 0.00 H new ATOM 0 HA PHE A 387 -1.584 9.343 8.487 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -0.367 7.457 10.549 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -0.688 6.968 8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 387 0.074 9.987 7.998 1.00 0.00 H new ATOM 0 HD2 PHE A 387 2.018 6.848 10.117 1.00 0.00 H new ATOM 0 HE1 PHE A 387 2.247 10.887 7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 387 4.197 7.744 9.433 1.00 0.00 H new ATOM 0 HZ PHE A 387 4.306 9.770 8.053 1.00 0.00 H new ATOM 147 N GLU A 388 -3.534 7.867 8.433 1.00 0.00 N ATOM 148 CA GLU A 388 -4.780 7.136 8.354 1.00 0.00 C ATOM 149 C GLU A 388 -4.436 5.702 8.063 1.00 0.00 C ATOM 150 O GLU A 388 -3.668 5.443 7.131 1.00 0.00 O ATOM 151 CB GLU A 388 -5.664 7.653 7.211 1.00 0.00 C ATOM 152 CG GLU A 388 -6.370 8.963 7.494 1.00 0.00 C ATOM 153 CD GLU A 388 -7.425 8.840 8.575 1.00 0.00 C ATOM 154 OE1 GLU A 388 -7.053 8.652 9.752 1.00 0.00 O ATOM 155 OE2 GLU A 388 -8.626 8.925 8.244 1.00 0.00 O ATOM 0 H GLU A 388 -3.186 8.190 7.530 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.325 7.255 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.047 7.774 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.413 6.896 6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.634 9.709 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.836 9.325 6.577 1.00 0.00 H new ATOM 162 N GLU A 389 -4.941 4.774 8.851 1.00 0.00 N ATOM 163 CA GLU A 389 -4.658 3.385 8.581 1.00 0.00 C ATOM 164 C GLU A 389 -5.347 3.022 7.277 1.00 0.00 C ATOM 165 O GLU A 389 -6.572 2.891 7.223 1.00 0.00 O ATOM 166 CB GLU A 389 -5.130 2.481 9.726 1.00 0.00 C ATOM 167 CG GLU A 389 -4.683 1.032 9.578 1.00 0.00 C ATOM 168 CD GLU A 389 -3.717 0.586 10.664 1.00 0.00 C ATOM 169 OE1 GLU A 389 -2.920 1.424 11.138 1.00 0.00 O ATOM 170 OE2 GLU A 389 -3.748 -0.615 11.035 1.00 0.00 O ATOM 0 H GLU A 389 -5.534 4.952 9.662 1.00 0.00 H new ATOM 0 HA GLU A 389 -3.582 3.234 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -4.752 2.875 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -6.218 2.514 9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -5.560 0.385 9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -4.209 0.903 8.605 1.00 0.00 H new ATOM 177 N VAL A 390 -4.561 2.884 6.222 1.00 0.00 N ATOM 178 CA VAL A 390 -5.109 2.558 4.930 1.00 0.00 C ATOM 179 C VAL A 390 -5.457 1.084 4.921 1.00 0.00 C ATOM 180 O VAL A 390 -4.711 0.266 5.460 1.00 0.00 O ATOM 181 CB VAL A 390 -4.141 2.835 3.756 1.00 0.00 C ATOM 182 CG1 VAL A 390 -4.887 2.916 2.436 1.00 0.00 C ATOM 183 CG2 VAL A 390 -3.353 4.101 3.972 1.00 0.00 C ATOM 0 H VAL A 390 -3.547 2.993 6.241 1.00 0.00 H new ATOM 0 HA VAL A 390 -5.981 3.195 4.782 1.00 0.00 H new ATOM 0 HB VAL A 390 -3.444 1.998 3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.180 3.112 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.399 1.972 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.619 3.723 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -2.684 4.262 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -4.037 4.945 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -2.767 4.013 4.887 1.00 0.00 H new ATOM 193 N ALA A 391 -6.575 0.744 4.328 1.00 0.00 N ATOM 194 CA ALA A 391 -6.994 -0.633 4.263 1.00 0.00 C ATOM 195 C ALA A 391 -6.716 -1.191 2.885 1.00 0.00 C ATOM 196 O ALA A 391 -6.965 -0.525 1.884 1.00 0.00 O ATOM 197 CB ALA A 391 -8.472 -0.761 4.603 1.00 0.00 C ATOM 0 H ALA A 391 -7.212 1.404 3.883 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.427 -1.207 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -8.769 -1.808 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -8.647 -0.387 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -9.060 -0.180 3.893 1.00 0.00 H new ATOM 203 N ASP A 392 -6.126 -2.371 2.854 1.00 0.00 N ATOM 204 CA ASP A 392 -5.830 -3.069 1.617 1.00 0.00 C ATOM 205 C ASP A 392 -7.109 -3.314 0.837 1.00 0.00 C ATOM 206 O ASP A 392 -7.804 -4.301 1.054 1.00 0.00 O ATOM 207 CB ASP A 392 -5.111 -4.406 1.882 1.00 0.00 C ATOM 208 CG ASP A 392 -5.562 -5.136 3.143 1.00 0.00 C ATOM 209 OD1 ASP A 392 -5.554 -4.528 4.238 1.00 0.00 O ATOM 210 OD2 ASP A 392 -5.865 -6.347 3.054 1.00 0.00 O ATOM 0 H ASP A 392 -5.837 -2.876 3.692 1.00 0.00 H new ATOM 0 HA ASP A 392 -5.163 -2.439 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -5.265 -5.061 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -4.039 -4.219 1.951 1.00 0.00 H new ATOM 215 N ASP A 393 -7.419 -2.396 -0.060 1.00 0.00 N ATOM 216 CA ASP A 393 -8.619 -2.500 -0.864 1.00 0.00 C ATOM 217 C ASP A 393 -8.270 -2.611 -2.337 1.00 0.00 C ATOM 218 O ASP A 393 -7.659 -1.709 -2.911 1.00 0.00 O ATOM 219 CB ASP A 393 -9.514 -1.289 -0.629 1.00 0.00 C ATOM 220 CG ASP A 393 -10.952 -1.541 -1.056 1.00 0.00 C ATOM 221 OD1 ASP A 393 -11.259 -1.404 -2.259 1.00 0.00 O ATOM 222 OD2 ASP A 393 -11.787 -1.874 -0.191 1.00 0.00 O ATOM 0 H ASP A 393 -6.854 -1.568 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 393 -9.155 -3.402 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 393 -9.493 -1.024 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 393 -9.118 -0.436 -1.180 1.00 0.00 H new ATOM 227 N PRO A 394 -8.653 -3.724 -2.969 1.00 0.00 N ATOM 228 CA PRO A 394 -8.377 -3.971 -4.375 1.00 0.00 C ATOM 229 C PRO A 394 -9.446 -3.395 -5.293 1.00 0.00 C ATOM 230 O PRO A 394 -10.549 -3.055 -4.863 1.00 0.00 O ATOM 231 CB PRO A 394 -8.390 -5.491 -4.439 1.00 0.00 C ATOM 232 CG PRO A 394 -9.437 -5.879 -3.457 1.00 0.00 C ATOM 233 CD PRO A 394 -9.398 -4.838 -2.362 1.00 0.00 C ATOM 0 HA PRO A 394 -7.449 -3.506 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 394 -8.630 -5.847 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 394 -7.419 -5.911 -4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 394 -10.419 -5.911 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -9.244 -6.874 -3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -10.401 -4.533 -2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -8.899 -5.214 -1.469 1.00 0.00 H new ATOM 241 N ILE A 395 -9.117 -3.313 -6.565 1.00 0.00 N ATOM 242 CA ILE A 395 -10.038 -2.794 -7.557 1.00 0.00 C ATOM 243 C ILE A 395 -10.725 -3.947 -8.271 1.00 0.00 C ATOM 244 O ILE A 395 -10.079 -4.761 -8.934 1.00 0.00 O ATOM 245 CB ILE A 395 -9.314 -1.888 -8.584 1.00 0.00 C ATOM 246 CG1 ILE A 395 -8.984 -0.539 -7.946 1.00 0.00 C ATOM 247 CG2 ILE A 395 -10.155 -1.688 -9.840 1.00 0.00 C ATOM 248 CD1 ILE A 395 -10.187 0.148 -7.341 1.00 0.00 C ATOM 0 H ILE A 395 -8.213 -3.601 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 395 -10.783 -2.186 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 395 -8.389 -2.382 -8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 395 -8.231 -0.686 -7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 395 -8.543 0.113 -8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 395 -9.618 -1.048 -10.540 1.00 0.00 H new ATOM 0 HG22 ILE A 395 -10.347 -2.654 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 395 -11.102 -1.219 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 395 -9.882 1.100 -6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 395 -10.932 0.326 -8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 395 -10.615 -0.486 -6.564 1.00 0.00 H new ATOM 260 N VAL A 396 -12.029 -4.027 -8.106 1.00 0.00 N ATOM 261 CA VAL A 396 -12.815 -5.072 -8.724 1.00 0.00 C ATOM 262 C VAL A 396 -13.784 -4.459 -9.731 1.00 0.00 C ATOM 263 O VAL A 396 -14.629 -3.634 -9.384 1.00 0.00 O ATOM 264 CB VAL A 396 -13.543 -5.938 -7.657 1.00 0.00 C ATOM 265 CG1 VAL A 396 -13.889 -5.128 -6.418 1.00 0.00 C ATOM 266 CG2 VAL A 396 -14.774 -6.624 -8.223 1.00 0.00 C ATOM 0 H VAL A 396 -12.571 -3.372 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 396 -12.150 -5.746 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 396 -12.845 -6.720 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 396 -14.397 -5.767 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 396 -12.975 -4.733 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 396 -14.544 -4.302 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 396 -15.251 -7.218 -7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 396 -15.475 -5.872 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 396 -14.481 -7.275 -9.047 1.00 0.00 H new ATOM 276 N MET A 397 -13.634 -4.856 -10.988 1.00 0.00 N ATOM 277 CA MET A 397 -14.451 -4.334 -12.058 1.00 0.00 C ATOM 278 C MET A 397 -15.821 -4.969 -12.033 1.00 0.00 C ATOM 279 O MET A 397 -15.956 -6.159 -11.760 1.00 0.00 O ATOM 280 CB MET A 397 -13.795 -4.604 -13.416 1.00 0.00 C ATOM 281 CG MET A 397 -12.288 -4.398 -13.431 1.00 0.00 C ATOM 282 SD MET A 397 -11.817 -2.659 -13.468 1.00 0.00 S ATOM 283 CE MET A 397 -12.410 -2.183 -15.090 1.00 0.00 C ATOM 0 H MET A 397 -12.944 -5.546 -11.286 1.00 0.00 H new ATOM 0 HA MET A 397 -14.549 -3.258 -11.913 1.00 0.00 H new ATOM 0 HB2 MET A 397 -14.014 -5.629 -13.715 1.00 0.00 H new ATOM 0 HB3 MET A 397 -14.247 -3.951 -14.162 1.00 0.00 H new ATOM 0 HG2 MET A 397 -11.854 -4.868 -12.549 1.00 0.00 H new ATOM 0 HG3 MET A 397 -11.866 -4.902 -14.301 1.00 0.00 H new ATOM 0 HE1 MET A 397 -11.839 -1.326 -15.449 1.00 0.00 H new ATOM 0 HE2 MET A 397 -12.287 -3.017 -15.781 1.00 0.00 H new ATOM 0 HE3 MET A 397 -13.465 -1.916 -15.028 1.00 0.00 H new ATOM 293 N VAL A 398 -16.827 -4.158 -12.273 1.00 0.00 N ATOM 294 CA VAL A 398 -18.191 -4.629 -12.331 1.00 0.00 C ATOM 295 C VAL A 398 -18.856 -4.058 -13.567 1.00 0.00 C ATOM 296 O VAL A 398 -18.944 -2.835 -13.724 1.00 0.00 O ATOM 297 CB VAL A 398 -19.010 -4.249 -11.093 1.00 0.00 C ATOM 298 CG1 VAL A 398 -20.442 -4.703 -11.282 1.00 0.00 C ATOM 299 CG2 VAL A 398 -18.419 -4.874 -9.842 1.00 0.00 C ATOM 0 H VAL A 398 -16.722 -3.156 -12.433 1.00 0.00 H new ATOM 0 HA VAL A 398 -18.158 -5.718 -12.368 1.00 0.00 H new ATOM 0 HB VAL A 398 -18.985 -3.166 -10.970 1.00 0.00 H new ATOM 0 HG11 VAL A 398 -21.028 -4.434 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 398 -20.864 -4.218 -12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 398 -20.466 -5.784 -11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 398 -19.017 -4.590 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 398 -18.419 -5.959 -9.943 1.00 0.00 H new ATOM 0 HG23 VAL A 398 -17.396 -4.522 -9.708 1.00 0.00 H new ATOM 309 N ALA A 399 -19.287 -4.946 -14.451 1.00 0.00 N ATOM 310 CA ALA A 399 -19.913 -4.567 -15.700 1.00 0.00 C ATOM 311 C ALA A 399 -18.914 -3.783 -16.545 1.00 0.00 C ATOM 312 O ALA A 399 -19.294 -2.990 -17.411 1.00 0.00 O ATOM 313 CB ALA A 399 -21.189 -3.763 -15.456 1.00 0.00 C ATOM 0 H ALA A 399 -19.210 -5.954 -14.317 1.00 0.00 H new ATOM 0 HA ALA A 399 -20.205 -5.467 -16.242 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.637 -3.492 -16.412 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -21.894 -4.365 -14.882 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.948 -2.858 -14.899 1.00 0.00 H new ATOM 319 N GLY A 400 -17.622 -4.004 -16.280 1.00 0.00 N ATOM 320 CA GLY A 400 -16.585 -3.309 -17.013 1.00 0.00 C ATOM 321 C GLY A 400 -16.235 -1.974 -16.386 1.00 0.00 C ATOM 322 O GLY A 400 -15.426 -1.219 -16.923 1.00 0.00 O ATOM 0 H GLY A 400 -17.283 -4.653 -15.570 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -15.692 -3.933 -17.056 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -16.913 -3.151 -18.040 1.00 0.00 H new ATOM 326 N ARG A 401 -16.856 -1.676 -15.254 1.00 0.00 N ATOM 327 CA ARG A 401 -16.601 -0.430 -14.546 1.00 0.00 C ATOM 328 C ARG A 401 -15.704 -0.693 -13.346 1.00 0.00 C ATOM 329 O ARG A 401 -15.964 -1.599 -12.560 1.00 0.00 O ATOM 330 CB ARG A 401 -17.910 0.217 -14.093 1.00 0.00 C ATOM 331 CG ARG A 401 -18.384 1.340 -15.001 1.00 0.00 C ATOM 332 CD ARG A 401 -19.624 0.944 -15.789 1.00 0.00 C ATOM 333 NE ARG A 401 -19.338 -0.077 -16.799 1.00 0.00 N ATOM 334 CZ ARG A 401 -18.954 0.190 -18.048 1.00 0.00 C ATOM 335 NH1 ARG A 401 -18.785 1.447 -18.445 1.00 0.00 N ATOM 336 NH2 ARG A 401 -18.739 -0.808 -18.898 1.00 0.00 N ATOM 0 H ARG A 401 -17.542 -2.282 -14.805 1.00 0.00 H new ATOM 0 HA ARG A 401 -16.099 0.258 -15.226 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -18.684 -0.548 -14.042 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -17.781 0.608 -13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -18.601 2.225 -14.402 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -17.585 1.611 -15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -20.384 0.570 -15.103 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -20.040 1.826 -16.275 1.00 0.00 H new ATOM 0 HE ARG A 401 -19.439 -1.056 -16.530 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -18.949 2.214 -17.793 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -18.491 1.645 -19.402 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -18.868 -1.773 -18.594 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -18.445 -0.609 -19.854 1.00 0.00 H new ATOM 350 N PRO A 402 -14.632 0.089 -13.196 1.00 0.00 N ATOM 351 CA PRO A 402 -13.685 -0.081 -12.097 1.00 0.00 C ATOM 352 C PRO A 402 -14.211 0.417 -10.753 1.00 0.00 C ATOM 353 O PRO A 402 -14.323 1.621 -10.518 1.00 0.00 O ATOM 354 CB PRO A 402 -12.479 0.747 -12.543 1.00 0.00 C ATOM 355 CG PRO A 402 -13.048 1.806 -13.422 1.00 0.00 C ATOM 356 CD PRO A 402 -14.252 1.199 -14.091 1.00 0.00 C ATOM 0 HA PRO A 402 -13.466 -1.134 -11.922 1.00 0.00 H new ATOM 0 HB2 PRO A 402 -11.959 1.180 -11.689 1.00 0.00 H new ATOM 0 HB3 PRO A 402 -11.755 0.134 -13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 402 -13.328 2.685 -12.841 1.00 0.00 H new ATOM 0 HG3 PRO A 402 -12.316 2.133 -14.161 1.00 0.00 H new ATOM 0 HD2 PRO A 402 -15.060 1.924 -14.194 1.00 0.00 H new ATOM 0 HD3 PRO A 402 -14.015 0.841 -15.093 1.00 0.00 H new ATOM 364 N PHE A 403 -14.552 -0.521 -9.886 1.00 0.00 N ATOM 365 CA PHE A 403 -15.030 -0.198 -8.553 1.00 0.00 C ATOM 366 C PHE A 403 -14.070 -0.784 -7.532 1.00 0.00 C ATOM 367 O PHE A 403 -13.313 -1.696 -7.844 1.00 0.00 O ATOM 368 CB PHE A 403 -16.431 -0.771 -8.313 1.00 0.00 C ATOM 369 CG PHE A 403 -17.504 -0.173 -9.177 1.00 0.00 C ATOM 370 CD1 PHE A 403 -17.893 1.147 -9.019 1.00 0.00 C ATOM 371 CD2 PHE A 403 -18.134 -0.943 -10.142 1.00 0.00 C ATOM 372 CE1 PHE A 403 -18.890 1.689 -9.810 1.00 0.00 C ATOM 373 CE2 PHE A 403 -19.130 -0.406 -10.935 1.00 0.00 C ATOM 374 CZ PHE A 403 -19.508 0.911 -10.769 1.00 0.00 C ATOM 0 H PHE A 403 -14.506 -1.521 -10.084 1.00 0.00 H new ATOM 0 HA PHE A 403 -15.082 0.886 -8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -16.404 -1.847 -8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -16.698 -0.619 -7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -17.413 1.760 -8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -17.843 -1.974 -10.276 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -19.185 2.720 -9.678 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -19.612 -1.016 -11.684 1.00 0.00 H new ATOM 0 HZ PHE A 403 -20.286 1.332 -11.388 1.00 0.00 H new ATOM 384 N SER A 404 -14.075 -0.257 -6.327 1.00 0.00 N ATOM 385 CA SER A 404 -13.213 -0.782 -5.288 1.00 0.00 C ATOM 386 C SER A 404 -13.934 -1.928 -4.586 1.00 0.00 C ATOM 387 O SER A 404 -15.133 -2.120 -4.783 1.00 0.00 O ATOM 388 CB SER A 404 -12.848 0.320 -4.301 1.00 0.00 C ATOM 389 OG SER A 404 -12.828 1.587 -4.940 1.00 0.00 O ATOM 0 H SER A 404 -14.661 0.528 -6.043 1.00 0.00 H new ATOM 0 HA SER A 404 -12.287 -1.156 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.567 0.333 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 404 -11.871 0.113 -3.864 1.00 0.00 H new ATOM 0 HG SER A 404 -12.593 2.279 -4.287 1.00 0.00 H new ATOM 395 N TYR A 405 -13.229 -2.679 -3.766 1.00 0.00 N ATOM 396 CA TYR A 405 -13.828 -3.803 -3.070 1.00 0.00 C ATOM 397 C TYR A 405 -14.844 -3.314 -2.054 1.00 0.00 C ATOM 398 O TYR A 405 -15.953 -3.838 -1.988 1.00 0.00 O ATOM 399 CB TYR A 405 -12.765 -4.665 -2.395 1.00 0.00 C ATOM 400 CG TYR A 405 -13.310 -5.957 -1.831 1.00 0.00 C ATOM 401 CD1 TYR A 405 -13.829 -6.016 -0.542 1.00 0.00 C ATOM 402 CD2 TYR A 405 -13.316 -7.117 -2.593 1.00 0.00 C ATOM 403 CE1 TYR A 405 -14.338 -7.193 -0.031 1.00 0.00 C ATOM 404 CE2 TYR A 405 -13.822 -8.297 -2.089 1.00 0.00 C ATOM 405 CZ TYR A 405 -14.333 -8.331 -0.809 1.00 0.00 C ATOM 406 OH TYR A 405 -14.843 -9.506 -0.308 1.00 0.00 O ATOM 0 H TYR A 405 -12.240 -2.533 -3.564 1.00 0.00 H new ATOM 0 HA TYR A 405 -14.340 -4.422 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 405 -11.981 -4.894 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 405 -12.301 -4.093 -1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 405 -13.834 -5.126 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 405 -12.918 -7.095 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 405 -14.738 -7.222 0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -13.818 -9.191 -2.695 1.00 0.00 H new ATOM 0 HH TYR A 405 -14.692 -9.542 0.660 1.00 0.00 H new ATOM 416 N SER A 406 -14.474 -2.304 -1.273 1.00 0.00 N ATOM 417 CA SER A 406 -15.381 -1.732 -0.281 1.00 0.00 C ATOM 418 C SER A 406 -16.578 -1.088 -0.976 1.00 0.00 C ATOM 419 O SER A 406 -17.612 -0.834 -0.368 1.00 0.00 O ATOM 420 CB SER A 406 -14.646 -0.703 0.579 1.00 0.00 C ATOM 421 OG SER A 406 -13.637 -0.050 -0.169 1.00 0.00 O ATOM 0 H SER A 406 -13.554 -1.865 -1.307 1.00 0.00 H new ATOM 0 HA SER A 406 -15.741 -2.530 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 406 -15.355 0.032 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 406 -14.202 -1.196 1.444 1.00 0.00 H new ATOM 0 HG SER A 406 -12.766 -0.445 0.042 1.00 0.00 H new ATOM 427 N GLU A 407 -16.422 -0.862 -2.270 1.00 0.00 N ATOM 428 CA GLU A 407 -17.457 -0.268 -3.089 1.00 0.00 C ATOM 429 C GLU A 407 -18.403 -1.361 -3.569 1.00 0.00 C ATOM 430 O GLU A 407 -19.618 -1.314 -3.349 1.00 0.00 O ATOM 431 CB GLU A 407 -16.804 0.435 -4.281 1.00 0.00 C ATOM 432 CG GLU A 407 -16.284 1.827 -3.965 1.00 0.00 C ATOM 433 CD GLU A 407 -17.398 2.804 -3.671 1.00 0.00 C ATOM 434 OE1 GLU A 407 -17.908 3.428 -4.622 1.00 0.00 O ATOM 435 OE2 GLU A 407 -17.794 2.925 -2.496 1.00 0.00 O ATOM 0 H GLU A 407 -15.569 -1.088 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 407 -18.025 0.462 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -15.978 -0.177 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -17.529 0.504 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -15.614 1.776 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -15.697 2.192 -4.807 1.00 0.00 H new ATOM 442 N VAL A 408 -17.813 -2.365 -4.199 1.00 0.00 N ATOM 443 CA VAL A 408 -18.548 -3.501 -4.724 1.00 0.00 C ATOM 444 C VAL A 408 -19.274 -4.254 -3.604 1.00 0.00 C ATOM 445 O VAL A 408 -20.398 -4.713 -3.781 1.00 0.00 O ATOM 446 CB VAL A 408 -17.596 -4.467 -5.468 1.00 0.00 C ATOM 447 CG1 VAL A 408 -18.339 -5.675 -5.984 1.00 0.00 C ATOM 448 CG2 VAL A 408 -16.892 -3.769 -6.619 1.00 0.00 C ATOM 0 H VAL A 408 -16.807 -2.413 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 408 -19.291 -3.119 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 408 -16.847 -4.797 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 408 -17.644 -6.336 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 408 -18.792 -6.208 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 408 -19.119 -5.355 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 408 -16.230 -4.474 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 408 -17.633 -3.398 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 408 -16.307 -2.933 -6.235 1.00 0.00 H new ATOM 458 N SER A 409 -18.634 -4.352 -2.443 1.00 0.00 N ATOM 459 CA SER A 409 -19.218 -5.055 -1.303 1.00 0.00 C ATOM 460 C SER A 409 -20.379 -4.271 -0.700 1.00 0.00 C ATOM 461 O SER A 409 -21.300 -4.852 -0.127 1.00 0.00 O ATOM 462 CB SER A 409 -18.159 -5.320 -0.230 1.00 0.00 C ATOM 463 OG SER A 409 -17.469 -4.134 0.116 1.00 0.00 O ATOM 0 H SER A 409 -17.712 -3.954 -2.266 1.00 0.00 H new ATOM 0 HA SER A 409 -19.601 -6.008 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 409 -18.634 -5.739 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 409 -17.449 -6.064 -0.592 1.00 0.00 H new ATOM 0 HG SER A 409 -16.700 -4.017 -0.480 1.00 0.00 H new ATOM 469 N GLN A 410 -20.329 -2.952 -0.825 1.00 0.00 N ATOM 470 CA GLN A 410 -21.379 -2.102 -0.288 1.00 0.00 C ATOM 471 C GLN A 410 -22.541 -2.001 -1.263 1.00 0.00 C ATOM 472 O GLN A 410 -23.605 -1.489 -0.921 1.00 0.00 O ATOM 473 CB GLN A 410 -20.837 -0.708 0.031 1.00 0.00 C ATOM 474 CG GLN A 410 -20.146 -0.620 1.383 1.00 0.00 C ATOM 475 CD GLN A 410 -21.070 -0.963 2.537 1.00 0.00 C ATOM 476 OE1 GLN A 410 -21.745 -0.097 3.085 1.00 0.00 O ATOM 477 NE2 GLN A 410 -21.104 -2.233 2.913 1.00 0.00 N ATOM 0 H GLN A 410 -19.574 -2.450 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 410 -21.739 -2.555 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -20.133 -0.414 -0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -21.659 0.007 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -19.291 -1.296 1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -19.756 0.388 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -20.527 -2.923 2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -21.707 -2.521 3.684 1.00 0.00 H new ATOM 486 N ARG A 411 -22.329 -2.470 -2.484 1.00 0.00 N ATOM 487 CA ARG A 411 -23.375 -2.437 -3.494 1.00 0.00 C ATOM 488 C ARG A 411 -23.779 -3.835 -3.952 1.00 0.00 C ATOM 489 O ARG A 411 -23.156 -4.411 -4.851 1.00 0.00 O ATOM 490 CB ARG A 411 -22.922 -1.625 -4.695 1.00 0.00 C ATOM 491 CG ARG A 411 -23.615 -0.286 -4.816 1.00 0.00 C ATOM 492 CD ARG A 411 -22.604 0.827 -4.955 1.00 0.00 C ATOM 493 NE ARG A 411 -21.940 1.124 -3.689 1.00 0.00 N ATOM 494 CZ ARG A 411 -20.822 1.837 -3.590 1.00 0.00 C ATOM 495 NH1 ARG A 411 -20.280 2.370 -4.678 1.00 0.00 N ATOM 496 NH2 ARG A 411 -20.253 2.031 -2.406 1.00 0.00 N ATOM 0 H ARG A 411 -21.447 -2.876 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 411 -24.246 -1.969 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 411 -21.846 -1.463 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 411 -23.103 -2.202 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 411 -24.279 -0.291 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 411 -24.237 -0.112 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 411 -21.858 0.548 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 411 -23.101 1.725 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 411 -22.358 0.764 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 411 -20.721 2.232 -5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 411 -19.422 2.917 -4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 411 -20.673 1.632 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 411 -19.395 2.579 -2.336 1.00 0.00 H new ATOM 510 N PRO A 412 -24.835 -4.396 -3.345 1.00 0.00 N ATOM 511 CA PRO A 412 -25.341 -5.718 -3.711 1.00 0.00 C ATOM 512 C PRO A 412 -25.835 -5.745 -5.157 1.00 0.00 C ATOM 513 O PRO A 412 -25.844 -6.793 -5.800 1.00 0.00 O ATOM 514 CB PRO A 412 -26.506 -5.954 -2.742 1.00 0.00 C ATOM 515 CG PRO A 412 -26.304 -4.972 -1.637 1.00 0.00 C ATOM 516 CD PRO A 412 -25.614 -3.791 -2.253 1.00 0.00 C ATOM 0 HA PRO A 412 -24.570 -6.485 -3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -27.466 -5.799 -3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -26.503 -6.977 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -27.257 -4.680 -1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -25.701 -5.403 -0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -26.327 -3.056 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -24.973 -3.279 -1.536 1.00 0.00 H new ATOM 524 N GLU A 413 -26.221 -4.578 -5.670 1.00 0.00 N ATOM 525 CA GLU A 413 -26.710 -4.461 -7.035 1.00 0.00 C ATOM 526 C GLU A 413 -25.543 -4.576 -7.993 1.00 0.00 C ATOM 527 O GLU A 413 -25.675 -5.122 -9.081 1.00 0.00 O ATOM 528 CB GLU A 413 -27.430 -3.130 -7.272 1.00 0.00 C ATOM 529 CG GLU A 413 -28.113 -2.561 -6.043 1.00 0.00 C ATOM 530 CD GLU A 413 -27.215 -1.603 -5.290 1.00 0.00 C ATOM 531 OE1 GLU A 413 -26.242 -2.075 -4.674 1.00 0.00 O ATOM 532 OE2 GLU A 413 -27.469 -0.385 -5.332 1.00 0.00 O ATOM 0 H GLU A 413 -26.203 -3.698 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 413 -27.427 -5.264 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -26.709 -2.401 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -28.175 -3.268 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -29.025 -2.045 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -28.409 -3.376 -5.382 1.00 0.00 H new ATOM 539 N LEU A 414 -24.390 -4.063 -7.574 1.00 0.00 N ATOM 540 CA LEU A 414 -23.200 -4.134 -8.400 1.00 0.00 C ATOM 541 C LEU A 414 -22.809 -5.584 -8.587 1.00 0.00 C ATOM 542 O LEU A 414 -22.541 -6.021 -9.692 1.00 0.00 O ATOM 543 CB LEU A 414 -22.042 -3.346 -7.784 1.00 0.00 C ATOM 544 CG LEU A 414 -22.096 -1.834 -8.007 1.00 0.00 C ATOM 545 CD1 LEU A 414 -20.797 -1.185 -7.560 1.00 0.00 C ATOM 546 CD2 LEU A 414 -22.377 -1.517 -9.468 1.00 0.00 C ATOM 0 H LEU A 414 -24.259 -3.599 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 414 -23.422 -3.684 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -22.021 -3.539 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -21.106 -3.725 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 414 -22.910 -1.427 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -20.852 -0.109 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -20.638 -1.381 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -19.967 -1.598 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -22.411 -0.436 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -21.587 -1.937 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -23.335 -1.950 -9.757 1.00 0.00 H new ATOM 558 N VAL A 415 -22.836 -6.339 -7.503 1.00 0.00 N ATOM 559 CA VAL A 415 -22.495 -7.756 -7.554 1.00 0.00 C ATOM 560 C VAL A 415 -23.588 -8.516 -8.307 1.00 0.00 C ATOM 561 O VAL A 415 -23.361 -9.590 -8.863 1.00 0.00 O ATOM 562 CB VAL A 415 -22.307 -8.321 -6.125 1.00 0.00 C ATOM 563 CG1 VAL A 415 -22.026 -9.817 -6.138 1.00 0.00 C ATOM 564 CG2 VAL A 415 -21.187 -7.572 -5.418 1.00 0.00 C ATOM 0 H VAL A 415 -23.090 -5.998 -6.576 1.00 0.00 H new ATOM 0 HA VAL A 415 -21.552 -7.881 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 415 -23.240 -8.174 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 415 -21.901 -10.173 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 415 -22.861 -10.340 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 415 -21.115 -10.011 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 415 -21.059 -7.973 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 415 -20.259 -7.692 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 415 -21.439 -6.513 -5.356 1.00 0.00 H new ATOM 574 N ALA A 416 -24.768 -7.915 -8.347 1.00 0.00 N ATOM 575 CA ALA A 416 -25.908 -8.490 -9.040 1.00 0.00 C ATOM 576 C ALA A 416 -25.889 -8.111 -10.517 1.00 0.00 C ATOM 577 O ALA A 416 -26.666 -8.633 -11.315 1.00 0.00 O ATOM 578 CB ALA A 416 -27.192 -8.011 -8.398 1.00 0.00 C ATOM 0 H ALA A 416 -24.960 -7.018 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 416 -25.850 -9.576 -8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -28.044 -8.445 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -27.213 -8.319 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -27.245 -6.924 -8.457 1.00 0.00 H new ATOM 584 N GLN A 417 -25.016 -7.176 -10.867 1.00 0.00 N ATOM 585 CA GLN A 417 -24.878 -6.733 -12.244 1.00 0.00 C ATOM 586 C GLN A 417 -23.490 -7.081 -12.723 1.00 0.00 C ATOM 587 O GLN A 417 -23.118 -6.809 -13.863 1.00 0.00 O ATOM 588 CB GLN A 417 -25.112 -5.224 -12.376 1.00 0.00 C ATOM 589 CG GLN A 417 -26.530 -4.795 -12.039 1.00 0.00 C ATOM 590 CD GLN A 417 -27.545 -5.267 -13.066 1.00 0.00 C ATOM 591 OE1 GLN A 417 -27.893 -4.537 -13.990 1.00 0.00 O ATOM 592 NE2 GLN A 417 -28.014 -6.497 -12.919 1.00 0.00 N ATOM 0 H GLN A 417 -24.390 -6.709 -10.211 1.00 0.00 H new ATOM 0 HA GLN A 417 -25.630 -7.235 -12.853 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -24.417 -4.699 -11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -24.882 -4.917 -13.396 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -26.801 -5.188 -11.059 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -26.569 -3.708 -11.968 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -27.700 -7.073 -12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -28.689 -6.869 -13.587 1.00 0.00 H new ATOM 601 N MET A 418 -22.728 -7.685 -11.826 1.00 0.00 N ATOM 602 CA MET A 418 -21.382 -8.083 -12.135 1.00 0.00 C ATOM 603 C MET A 418 -21.432 -9.433 -12.810 1.00 0.00 C ATOM 604 O MET A 418 -22.272 -10.278 -12.487 1.00 0.00 O ATOM 605 CB MET A 418 -20.507 -8.090 -10.873 1.00 0.00 C ATOM 606 CG MET A 418 -20.275 -9.455 -10.252 1.00 0.00 C ATOM 607 SD MET A 418 -19.708 -9.338 -8.540 1.00 0.00 S ATOM 608 CE MET A 418 -18.350 -8.182 -8.700 1.00 0.00 C ATOM 0 H MET A 418 -23.028 -7.907 -10.877 1.00 0.00 H new ATOM 0 HA MET A 418 -20.921 -7.366 -12.815 1.00 0.00 H new ATOM 0 HB2 MET A 418 -19.540 -7.652 -11.119 1.00 0.00 H new ATOM 0 HB3 MET A 418 -20.969 -7.443 -10.127 1.00 0.00 H new ATOM 0 HG2 MET A 418 -21.200 -10.031 -10.288 1.00 0.00 H new ATOM 0 HG3 MET A 418 -19.537 -10.000 -10.841 1.00 0.00 H new ATOM 0 HE1 MET A 418 -17.539 -8.479 -8.035 1.00 0.00 H new ATOM 0 HE2 MET A 418 -17.993 -8.180 -9.730 1.00 0.00 H new ATOM 0 HE3 MET A 418 -18.690 -7.182 -8.433 1.00 0.00 H new ATOM 618 N THR A 419 -20.554 -9.621 -13.752 1.00 0.00 N ATOM 619 CA THR A 419 -20.513 -10.857 -14.513 1.00 0.00 C ATOM 620 C THR A 419 -19.943 -11.985 -13.666 1.00 0.00 C ATOM 621 O THR A 419 -19.358 -11.730 -12.612 1.00 0.00 O ATOM 622 CB THR A 419 -19.681 -10.703 -15.807 1.00 0.00 C ATOM 623 OG1 THR A 419 -18.287 -10.600 -15.498 1.00 0.00 O ATOM 624 CG2 THR A 419 -20.119 -9.478 -16.594 1.00 0.00 C ATOM 0 H THR A 419 -19.848 -8.935 -14.020 1.00 0.00 H new ATOM 0 HA THR A 419 -21.537 -11.100 -14.795 1.00 0.00 H new ATOM 0 HB THR A 419 -19.849 -11.590 -16.417 1.00 0.00 H new ATOM 0 HG1 THR A 419 -17.758 -10.834 -16.289 1.00 0.00 H new ATOM 0 HG21 THR A 419 -19.518 -9.393 -17.499 1.00 0.00 H new ATOM 0 HG22 THR A 419 -21.170 -9.576 -16.864 1.00 0.00 H new ATOM 0 HG23 THR A 419 -19.983 -8.585 -15.983 1.00 0.00 H new ATOM 632 N PRO A 420 -20.139 -13.252 -14.078 1.00 0.00 N ATOM 633 CA PRO A 420 -19.596 -14.399 -13.352 1.00 0.00 C ATOM 634 C PRO A 420 -18.108 -14.210 -13.090 1.00 0.00 C ATOM 635 O PRO A 420 -17.625 -14.441 -11.983 1.00 0.00 O ATOM 636 CB PRO A 420 -19.843 -15.574 -14.298 1.00 0.00 C ATOM 637 CG PRO A 420 -21.018 -15.159 -15.113 1.00 0.00 C ATOM 638 CD PRO A 420 -20.910 -13.665 -15.267 1.00 0.00 C ATOM 0 HA PRO A 420 -20.056 -14.544 -12.375 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -18.973 -15.767 -14.926 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -20.047 -16.491 -13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -21.013 -15.653 -16.085 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -21.951 -15.434 -14.621 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -20.400 -13.392 -16.191 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -21.892 -13.192 -15.293 1.00 0.00 H new ATOM 646 N GLU A 421 -17.402 -13.744 -14.114 1.00 0.00 N ATOM 647 CA GLU A 421 -15.974 -13.485 -14.016 1.00 0.00 C ATOM 648 C GLU A 421 -15.700 -12.448 -12.935 1.00 0.00 C ATOM 649 O GLU A 421 -14.828 -12.641 -12.090 1.00 0.00 O ATOM 650 CB GLU A 421 -15.410 -12.974 -15.346 1.00 0.00 C ATOM 651 CG GLU A 421 -15.918 -13.715 -16.572 1.00 0.00 C ATOM 652 CD GLU A 421 -17.265 -13.199 -17.030 1.00 0.00 C ATOM 653 OE1 GLU A 421 -17.323 -12.067 -17.549 1.00 0.00 O ATOM 654 OE2 GLU A 421 -18.269 -13.909 -16.832 1.00 0.00 O ATOM 0 H GLU A 421 -17.802 -13.537 -15.029 1.00 0.00 H new ATOM 0 HA GLU A 421 -15.486 -14.426 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 421 -15.656 -11.917 -15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 421 -14.323 -13.047 -15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 421 -15.196 -13.612 -17.382 1.00 0.00 H new ATOM 0 HG3 GLU A 421 -15.995 -14.779 -16.346 1.00 0.00 H new ATOM 661 N GLU A 422 -16.462 -11.355 -12.956 1.00 0.00 N ATOM 662 CA GLU A 422 -16.298 -10.289 -11.993 1.00 0.00 C ATOM 663 C GLU A 422 -16.669 -10.762 -10.590 1.00 0.00 C ATOM 664 O GLU A 422 -15.988 -10.435 -9.620 1.00 0.00 O ATOM 665 CB GLU A 422 -17.140 -9.098 -12.435 1.00 0.00 C ATOM 666 CG GLU A 422 -16.640 -8.493 -13.736 1.00 0.00 C ATOM 667 CD GLU A 422 -17.549 -7.414 -14.271 1.00 0.00 C ATOM 668 OE1 GLU A 422 -18.779 -7.509 -14.054 1.00 0.00 O ATOM 669 OE2 GLU A 422 -17.041 -6.461 -14.903 1.00 0.00 O ATOM 0 H GLU A 422 -17.202 -11.193 -13.639 1.00 0.00 H new ATOM 0 HA GLU A 422 -15.253 -9.983 -11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -18.176 -9.413 -12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -17.128 -8.337 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -15.645 -8.077 -13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -16.541 -9.281 -14.483 1.00 0.00 H new ATOM 676 N LYS A 423 -17.746 -11.533 -10.489 1.00 0.00 N ATOM 677 CA LYS A 423 -18.184 -12.081 -9.207 1.00 0.00 C ATOM 678 C LYS A 423 -17.128 -13.006 -8.628 1.00 0.00 C ATOM 679 O LYS A 423 -16.786 -12.904 -7.451 1.00 0.00 O ATOM 680 CB LYS A 423 -19.499 -12.844 -9.370 1.00 0.00 C ATOM 681 CG LYS A 423 -20.346 -12.866 -8.107 1.00 0.00 C ATOM 682 CD LYS A 423 -21.440 -13.921 -8.176 1.00 0.00 C ATOM 683 CE LYS A 423 -20.903 -15.304 -7.844 1.00 0.00 C ATOM 684 NZ LYS A 423 -20.282 -15.962 -9.021 1.00 0.00 N ATOM 0 H LYS A 423 -18.334 -11.794 -11.280 1.00 0.00 H new ATOM 0 HA LYS A 423 -18.338 -11.247 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -20.075 -12.391 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -19.281 -13.869 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -19.708 -13.061 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -20.797 -11.885 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -22.239 -13.664 -7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -21.876 -13.929 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -20.167 -15.224 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -21.715 -15.927 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -20.521 -16.974 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -20.640 -15.523 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -19.249 -15.851 -8.976 1.00 0.00 H new ATOM 698 N GLU A 424 -16.600 -13.892 -9.461 1.00 0.00 N ATOM 699 CA GLU A 424 -15.580 -14.831 -9.016 1.00 0.00 C ATOM 700 C GLU A 424 -14.322 -14.068 -8.654 1.00 0.00 C ATOM 701 O GLU A 424 -13.629 -14.401 -7.693 1.00 0.00 O ATOM 702 CB GLU A 424 -15.287 -15.872 -10.098 1.00 0.00 C ATOM 703 CG GLU A 424 -16.039 -17.184 -9.905 1.00 0.00 C ATOM 704 CD GLU A 424 -17.519 -16.986 -9.632 1.00 0.00 C ATOM 705 OE1 GLU A 424 -17.902 -16.859 -8.449 1.00 0.00 O ATOM 706 OE2 GLU A 424 -18.314 -16.949 -10.595 1.00 0.00 O ATOM 0 H GLU A 424 -16.859 -13.980 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 424 -15.945 -15.362 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -15.546 -15.455 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -14.216 -16.076 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -15.919 -17.799 -10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -15.593 -17.733 -9.076 1.00 0.00 H new ATOM 713 N ALA A 425 -14.048 -13.027 -9.426 1.00 0.00 N ATOM 714 CA ALA A 425 -12.900 -12.175 -9.187 1.00 0.00 C ATOM 715 C ALA A 425 -13.055 -11.473 -7.846 1.00 0.00 C ATOM 716 O ALA A 425 -12.126 -11.433 -7.045 1.00 0.00 O ATOM 717 CB ALA A 425 -12.758 -11.164 -10.311 1.00 0.00 C ATOM 0 H ALA A 425 -14.613 -12.753 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 425 -11.996 -12.784 -9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -11.893 -10.529 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -12.623 -11.688 -11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -13.656 -10.548 -10.362 1.00 0.00 H new ATOM 723 N TYR A 426 -14.248 -10.935 -7.608 1.00 0.00 N ATOM 724 CA TYR A 426 -14.555 -10.254 -6.364 1.00 0.00 C ATOM 725 C TYR A 426 -14.418 -11.217 -5.191 1.00 0.00 C ATOM 726 O TYR A 426 -13.773 -10.904 -4.191 1.00 0.00 O ATOM 727 CB TYR A 426 -15.975 -9.680 -6.427 1.00 0.00 C ATOM 728 CG TYR A 426 -16.543 -9.274 -5.087 1.00 0.00 C ATOM 729 CD1 TYR A 426 -16.297 -8.014 -4.562 1.00 0.00 C ATOM 730 CD2 TYR A 426 -17.323 -10.153 -4.350 1.00 0.00 C ATOM 731 CE1 TYR A 426 -16.814 -7.641 -3.337 1.00 0.00 C ATOM 732 CE2 TYR A 426 -17.841 -9.789 -3.126 1.00 0.00 C ATOM 733 CZ TYR A 426 -17.586 -8.535 -2.623 1.00 0.00 C ATOM 734 OH TYR A 426 -18.100 -8.178 -1.400 1.00 0.00 O ATOM 0 H TYR A 426 -15.022 -10.961 -8.271 1.00 0.00 H new ATOM 0 HA TYR A 426 -13.851 -9.435 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 426 -15.974 -8.812 -7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 426 -16.634 -10.422 -6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 426 -15.692 -7.314 -5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 426 -17.528 -11.138 -4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 426 -16.616 -6.656 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 426 -18.445 -10.486 -2.564 1.00 0.00 H new ATOM 0 HH TYR A 426 -18.620 -8.923 -1.034 1.00 0.00 H new ATOM 744 N ILE A 427 -15.026 -12.392 -5.330 1.00 0.00 N ATOM 745 CA ILE A 427 -14.978 -13.410 -4.287 1.00 0.00 C ATOM 746 C ILE A 427 -13.536 -13.824 -3.992 1.00 0.00 C ATOM 747 O ILE A 427 -13.112 -13.854 -2.835 1.00 0.00 O ATOM 748 CB ILE A 427 -15.809 -14.657 -4.671 1.00 0.00 C ATOM 749 CG1 ILE A 427 -17.297 -14.303 -4.726 1.00 0.00 C ATOM 750 CG2 ILE A 427 -15.569 -15.795 -3.684 1.00 0.00 C ATOM 751 CD1 ILE A 427 -18.169 -15.416 -5.269 1.00 0.00 C ATOM 0 H ILE A 427 -15.559 -12.662 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 427 -15.412 -12.969 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 427 -15.490 -14.992 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 427 -17.637 -14.044 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 427 -17.428 -13.416 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 427 -16.164 -16.661 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 427 -14.513 -16.063 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 427 -15.859 -15.476 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 427 -19.210 -15.092 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 427 -17.857 -15.661 -6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 427 -18.069 -16.298 -4.636 1.00 0.00 H new ATOM 763 N ALA A 428 -12.783 -14.123 -5.047 1.00 0.00 N ATOM 764 CA ALA A 428 -11.390 -14.537 -4.911 1.00 0.00 C ATOM 765 C ALA A 428 -10.541 -13.435 -4.284 1.00 0.00 C ATOM 766 O ALA A 428 -9.653 -13.706 -3.472 1.00 0.00 O ATOM 767 CB ALA A 428 -10.827 -14.936 -6.268 1.00 0.00 C ATOM 0 H ALA A 428 -13.117 -14.086 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 428 -11.357 -15.400 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -9.787 -15.243 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -11.408 -15.764 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -10.882 -14.087 -6.949 1.00 0.00 H new ATOM 773 N MET A 429 -10.818 -12.194 -4.663 1.00 0.00 N ATOM 774 CA MET A 429 -10.084 -11.053 -4.134 1.00 0.00 C ATOM 775 C MET A 429 -10.406 -10.852 -2.660 1.00 0.00 C ATOM 776 O MET A 429 -9.535 -10.501 -1.864 1.00 0.00 O ATOM 777 CB MET A 429 -10.415 -9.792 -4.938 1.00 0.00 C ATOM 778 CG MET A 429 -9.646 -9.702 -6.245 1.00 0.00 C ATOM 779 SD MET A 429 -9.223 -8.009 -6.685 1.00 0.00 S ATOM 780 CE MET A 429 -10.803 -7.209 -6.448 1.00 0.00 C ATOM 0 H MET A 429 -11.546 -11.952 -5.335 1.00 0.00 H new ATOM 0 HA MET A 429 -9.016 -11.250 -4.226 1.00 0.00 H new ATOM 0 HB2 MET A 429 -11.484 -9.773 -5.150 1.00 0.00 H new ATOM 0 HB3 MET A 429 -10.195 -8.913 -4.332 1.00 0.00 H new ATOM 0 HG2 MET A 429 -8.733 -10.292 -6.166 1.00 0.00 H new ATOM 0 HG3 MET A 429 -10.242 -10.143 -7.044 1.00 0.00 H new ATOM 0 HE1 MET A 429 -10.700 -6.139 -6.629 1.00 0.00 H new ATOM 0 HE2 MET A 429 -11.530 -7.626 -7.145 1.00 0.00 H new ATOM 0 HE3 MET A 429 -11.144 -7.373 -5.426 1.00 0.00 H new ATOM 790 N GLY A 430 -11.659 -11.104 -2.299 1.00 0.00 N ATOM 791 CA GLY A 430 -12.085 -10.954 -0.930 1.00 0.00 C ATOM 792 C GLY A 430 -11.526 -12.040 -0.051 1.00 0.00 C ATOM 793 O GLY A 430 -11.158 -11.785 1.088 1.00 0.00 O ATOM 0 H GLY A 430 -12.390 -11.412 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -11.766 -9.982 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -13.174 -10.973 -0.884 1.00 0.00 H new ATOM 797 N GLN A 431 -11.448 -13.248 -0.595 1.00 0.00 N ATOM 798 CA GLN A 431 -10.923 -14.398 0.129 1.00 0.00 C ATOM 799 C GLN A 431 -9.539 -14.100 0.701 1.00 0.00 C ATOM 800 O GLN A 431 -9.291 -14.307 1.886 1.00 0.00 O ATOM 801 CB GLN A 431 -10.866 -15.615 -0.807 1.00 0.00 C ATOM 802 CG GLN A 431 -10.097 -16.801 -0.242 1.00 0.00 C ATOM 803 CD GLN A 431 -8.694 -16.923 -0.814 1.00 0.00 C ATOM 804 OE1 GLN A 431 -8.444 -16.585 -1.974 1.00 0.00 O ATOM 805 NE2 GLN A 431 -7.766 -17.389 0.002 1.00 0.00 N ATOM 0 H GLN A 431 -11.746 -13.457 -1.548 1.00 0.00 H new ATOM 0 HA GLN A 431 -11.588 -14.618 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -11.884 -15.932 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -10.407 -15.314 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -10.035 -16.704 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -10.649 -17.718 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -8.013 -17.658 0.954 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -6.803 -17.480 -0.320 1.00 0.00 H new ATOM 814 N ARG A 432 -8.662 -13.573 -0.145 1.00 0.00 N ATOM 815 CA ARG A 432 -7.292 -13.256 0.253 1.00 0.00 C ATOM 816 C ARG A 432 -7.246 -12.236 1.391 1.00 0.00 C ATOM 817 O ARG A 432 -6.328 -12.248 2.208 1.00 0.00 O ATOM 818 CB ARG A 432 -6.512 -12.733 -0.949 1.00 0.00 C ATOM 819 CG ARG A 432 -5.009 -12.852 -0.790 1.00 0.00 C ATOM 820 CD ARG A 432 -4.320 -12.959 -2.144 1.00 0.00 C ATOM 821 NE ARG A 432 -4.888 -14.044 -2.949 1.00 0.00 N ATOM 822 CZ ARG A 432 -4.385 -14.470 -4.106 1.00 0.00 C ATOM 823 NH1 ARG A 432 -3.286 -13.915 -4.608 1.00 0.00 N ATOM 824 NH2 ARG A 432 -4.990 -15.455 -4.764 1.00 0.00 N ATOM 0 H ARG A 432 -8.876 -13.354 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 432 -6.833 -14.175 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -6.820 -13.281 -1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -6.771 -11.687 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -4.627 -11.984 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -4.772 -13.729 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -4.420 -12.015 -2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -3.254 -13.132 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 432 -5.728 -14.505 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -2.822 -13.158 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -2.907 -14.247 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -5.835 -15.880 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -4.609 -15.785 -5.651 1.00 0.00 H new ATOM 838 N MET A 433 -8.232 -11.356 1.437 1.00 0.00 N ATOM 839 CA MET A 433 -8.294 -10.339 2.479 1.00 0.00 C ATOM 840 C MET A 433 -8.982 -10.881 3.718 1.00 0.00 C ATOM 841 O MET A 433 -8.456 -10.806 4.821 1.00 0.00 O ATOM 842 CB MET A 433 -9.071 -9.117 1.994 1.00 0.00 C ATOM 843 CG MET A 433 -8.276 -8.180 1.111 1.00 0.00 C ATOM 844 SD MET A 433 -9.301 -6.869 0.425 1.00 0.00 S ATOM 845 CE MET A 433 -10.454 -7.817 -0.560 1.00 0.00 C ATOM 0 H MET A 433 -9.000 -11.323 0.767 1.00 0.00 H new ATOM 0 HA MET A 433 -7.270 -10.055 2.720 1.00 0.00 H new ATOM 0 HB2 MET A 433 -9.950 -9.455 1.445 1.00 0.00 H new ATOM 0 HB3 MET A 433 -9.430 -8.562 2.861 1.00 0.00 H new ATOM 0 HG2 MET A 433 -7.463 -7.740 1.688 1.00 0.00 H new ATOM 0 HG3 MET A 433 -7.820 -8.746 0.299 1.00 0.00 H new ATOM 0 HE1 MET A 433 -10.695 -7.266 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 433 -10.005 -8.774 -0.825 1.00 0.00 H new ATOM 0 HE3 MET A 433 -11.365 -7.990 0.012 1.00 0.00 H new ATOM 855 N PHE A 434 -10.149 -11.463 3.497 1.00 0.00 N ATOM 856 CA PHE A 434 -10.993 -12.001 4.554 1.00 0.00 C ATOM 857 C PHE A 434 -10.264 -12.930 5.520 1.00 0.00 C ATOM 858 O PHE A 434 -10.599 -12.965 6.705 1.00 0.00 O ATOM 859 CB PHE A 434 -12.197 -12.709 3.929 1.00 0.00 C ATOM 860 CG PHE A 434 -13.389 -11.811 3.740 1.00 0.00 C ATOM 861 CD1 PHE A 434 -13.253 -10.567 3.142 1.00 0.00 C ATOM 862 CD2 PHE A 434 -14.644 -12.212 4.165 1.00 0.00 C ATOM 863 CE1 PHE A 434 -14.348 -9.742 2.971 1.00 0.00 C ATOM 864 CE2 PHE A 434 -15.743 -11.390 3.998 1.00 0.00 C ATOM 865 CZ PHE A 434 -15.595 -10.154 3.400 1.00 0.00 C ATOM 0 H PHE A 434 -10.544 -11.577 2.564 1.00 0.00 H new ATOM 0 HA PHE A 434 -11.319 -11.155 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -11.905 -13.121 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -12.482 -13.550 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -12.280 -10.240 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -14.766 -13.178 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -14.229 -8.776 2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -16.717 -11.714 4.335 1.00 0.00 H new ATOM 0 HZ PHE A 434 -16.452 -9.511 3.268 1.00 0.00 H new ATOM 875 N GLU A 435 -9.265 -13.662 5.055 1.00 0.00 N ATOM 876 CA GLU A 435 -8.551 -14.561 5.955 1.00 0.00 C ATOM 877 C GLU A 435 -7.214 -13.970 6.393 1.00 0.00 C ATOM 878 O GLU A 435 -6.313 -14.694 6.818 1.00 0.00 O ATOM 879 CB GLU A 435 -8.365 -15.948 5.330 1.00 0.00 C ATOM 880 CG GLU A 435 -7.720 -15.941 3.957 1.00 0.00 C ATOM 881 CD GLU A 435 -7.511 -17.341 3.417 1.00 0.00 C ATOM 882 OE1 GLU A 435 -6.555 -18.013 3.861 1.00 0.00 O ATOM 883 OE2 GLU A 435 -8.291 -17.768 2.544 1.00 0.00 O ATOM 0 H GLU A 435 -8.935 -13.656 4.090 1.00 0.00 H new ATOM 0 HA GLU A 435 -9.166 -14.680 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -7.756 -16.555 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -9.339 -16.433 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -8.346 -15.376 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -6.760 -15.427 4.011 1.00 0.00 H new ATOM 890 N ASP A 436 -7.103 -12.648 6.321 1.00 0.00 N ATOM 891 CA ASP A 436 -5.876 -11.965 6.723 1.00 0.00 C ATOM 892 C ASP A 436 -6.148 -10.526 7.172 1.00 0.00 C ATOM 893 O ASP A 436 -5.450 -9.590 6.769 1.00 0.00 O ATOM 894 CB ASP A 436 -4.853 -11.976 5.585 1.00 0.00 C ATOM 895 CG ASP A 436 -3.541 -12.602 6.011 1.00 0.00 C ATOM 896 OD1 ASP A 436 -2.978 -12.166 7.035 1.00 0.00 O ATOM 897 OD2 ASP A 436 -3.075 -13.547 5.331 1.00 0.00 O ATOM 0 H ASP A 436 -7.843 -12.029 5.990 1.00 0.00 H new ATOM 0 HA ASP A 436 -5.467 -12.510 7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -5.259 -12.527 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -4.675 -10.955 5.247 1.00 0.00 H new ATOM 1036 N GLU B 7 6.467 -6.564 -12.404 1.00 0.00 N ATOM 1037 CA GLU B 7 5.822 -5.541 -13.206 1.00 0.00 C ATOM 1038 C GLU B 7 5.829 -4.248 -12.399 1.00 0.00 C ATOM 1039 O GLU B 7 4.904 -3.986 -11.635 1.00 0.00 O ATOM 1040 CB GLU B 7 4.374 -5.933 -13.555 1.00 0.00 C ATOM 1041 CG GLU B 7 3.905 -7.219 -12.889 1.00 0.00 C ATOM 1042 CD GLU B 7 2.456 -7.171 -12.423 1.00 0.00 C ATOM 1043 OE1 GLU B 7 1.597 -6.676 -13.176 1.00 0.00 O ATOM 1044 OE2 GLU B 7 2.174 -7.647 -11.295 1.00 0.00 O ATOM 0 HA GLU B 7 6.361 -5.419 -14.145 1.00 0.00 H new ATOM 0 HB2 GLU B 7 3.708 -5.121 -13.264 1.00 0.00 H new ATOM 0 HB3 GLU B 7 4.288 -6.043 -14.636 1.00 0.00 H new ATOM 0 HG2 GLU B 7 4.026 -8.046 -13.589 1.00 0.00 H new ATOM 0 HG3 GLU B 7 4.546 -7.430 -12.033 1.00 0.00 H new ATOM 1051 N VAL B 8 6.913 -3.483 -12.518 1.00 0.00 N ATOM 1052 CA VAL B 8 7.048 -2.226 -11.787 1.00 0.00 C ATOM 1053 C VAL B 8 5.837 -1.347 -11.985 1.00 0.00 C ATOM 1054 O VAL B 8 5.470 -0.991 -13.104 1.00 0.00 O ATOM 1055 CB VAL B 8 8.320 -1.480 -12.163 1.00 0.00 C ATOM 1056 CG1 VAL B 8 8.326 -0.087 -11.547 1.00 0.00 C ATOM 1057 CG2 VAL B 8 9.485 -2.293 -11.662 1.00 0.00 C ATOM 0 H VAL B 8 7.709 -3.712 -13.113 1.00 0.00 H new ATOM 0 HA VAL B 8 7.119 -2.481 -10.730 1.00 0.00 H new ATOM 0 HB VAL B 8 8.384 -1.353 -13.244 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.243 0.431 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL B 8 7.466 0.475 -11.911 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.273 -0.169 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.417 -1.787 -11.914 1.00 0.00 H new ATOM 0 HG22 VAL B 8 9.413 -2.403 -10.580 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.469 -3.278 -12.129 1.00 0.00 H new ATOM 1067 N LEU B 9 5.233 -1.013 -10.871 1.00 0.00 N ATOM 1068 CA LEU B 9 4.032 -0.220 -10.854 1.00 0.00 C ATOM 1069 C LEU B 9 4.334 1.263 -10.872 1.00 0.00 C ATOM 1070 O LEU B 9 3.912 1.984 -11.773 1.00 0.00 O ATOM 1071 CB LEU B 9 3.235 -0.553 -9.597 1.00 0.00 C ATOM 1072 CG LEU B 9 3.416 -1.978 -9.080 1.00 0.00 C ATOM 1073 CD1 LEU B 9 3.218 -2.032 -7.582 1.00 0.00 C ATOM 1074 CD2 LEU B 9 2.461 -2.919 -9.772 1.00 0.00 C ATOM 0 H LEU B 9 5.564 -1.286 -9.946 1.00 0.00 H new ATOM 0 HA LEU B 9 3.459 -0.456 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU B 9 3.520 0.143 -8.808 1.00 0.00 H new ATOM 0 HB3 LEU B 9 2.177 -0.388 -9.801 1.00 0.00 H new ATOM 0 HG LEU B 9 4.435 -2.294 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU B 9 3.351 -3.056 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU B 9 3.948 -1.385 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU B 9 2.212 -1.693 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.605 -3.930 -9.390 1.00 0.00 H new ATOM 0 HD22 LEU B 9 1.436 -2.602 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.651 -2.906 -10.845 1.00 0.00 H new ATOM 1086 N LEU B 10 5.065 1.720 -9.872 1.00 0.00 N ATOM 1087 CA LEU B 10 5.359 3.135 -9.768 1.00 0.00 C ATOM 1088 C LEU B 10 6.751 3.423 -9.223 1.00 0.00 C ATOM 1089 O LEU B 10 7.165 2.870 -8.204 1.00 0.00 O ATOM 1090 CB LEU B 10 4.318 3.767 -8.860 1.00 0.00 C ATOM 1091 CG LEU B 10 4.169 5.279 -8.965 1.00 0.00 C ATOM 1092 CD1 LEU B 10 3.398 5.660 -10.219 1.00 0.00 C ATOM 1093 CD2 LEU B 10 3.479 5.812 -7.720 1.00 0.00 C ATOM 0 H LEU B 10 5.460 1.141 -9.131 1.00 0.00 H new ATOM 0 HA LEU B 10 5.329 3.557 -10.773 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.352 3.311 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.565 3.517 -7.828 1.00 0.00 H new ATOM 0 HG LEU B 10 5.159 5.728 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.304 6.745 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU B 10 3.931 5.298 -11.098 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.405 5.211 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.374 6.894 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.493 5.357 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.075 5.568 -6.841 1.00 0.00 H new ATOM 1105 N ILE B 11 7.463 4.282 -9.934 1.00 0.00 N ATOM 1106 CA ILE B 11 8.788 4.728 -9.533 1.00 0.00 C ATOM 1107 C ILE B 11 8.696 6.170 -9.054 1.00 0.00 C ATOM 1108 O ILE B 11 8.546 7.082 -9.866 1.00 0.00 O ATOM 1109 CB ILE B 11 9.789 4.673 -10.704 1.00 0.00 C ATOM 1110 CG1 ILE B 11 9.951 3.238 -11.205 1.00 0.00 C ATOM 1111 CG2 ILE B 11 11.129 5.259 -10.284 1.00 0.00 C ATOM 1112 CD1 ILE B 11 10.725 3.135 -12.501 1.00 0.00 C ATOM 0 H ILE B 11 7.137 4.692 -10.809 1.00 0.00 H new ATOM 0 HA ILE B 11 9.141 4.065 -8.743 1.00 0.00 H new ATOM 0 HB ILE B 11 9.398 5.274 -11.525 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.458 2.650 -10.440 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.964 2.797 -11.344 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.825 5.213 -11.122 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.993 6.297 -9.982 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.530 4.687 -9.447 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.801 2.089 -12.797 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.207 3.696 -13.279 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.725 3.546 -12.361 1.00 0.00 H new ATOM 1124 N VAL B 12 8.767 6.389 -7.752 1.00 0.00 N ATOM 1125 CA VAL B 12 8.675 7.740 -7.238 1.00 0.00 C ATOM 1126 C VAL B 12 10.037 8.232 -6.801 1.00 0.00 C ATOM 1127 O VAL B 12 10.780 7.509 -6.154 1.00 0.00 O ATOM 1128 CB VAL B 12 7.708 7.832 -6.045 1.00 0.00 C ATOM 1129 CG1 VAL B 12 7.198 9.253 -5.882 1.00 0.00 C ATOM 1130 CG2 VAL B 12 6.555 6.863 -6.210 1.00 0.00 C ATOM 0 H VAL B 12 8.886 5.663 -7.045 1.00 0.00 H new ATOM 0 HA VAL B 12 8.293 8.364 -8.046 1.00 0.00 H new ATOM 0 HB VAL B 12 8.252 7.557 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.515 9.299 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.039 9.924 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.673 9.557 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.885 6.946 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL B 12 6.009 7.099 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.941 5.845 -6.271 1.00 0.00 H new ATOM 1140 N LYS B 13 10.372 9.449 -7.178 1.00 0.00 N ATOM 1141 CA LYS B 13 11.643 10.037 -6.794 1.00 0.00 C ATOM 1142 C LYS B 13 11.420 11.078 -5.714 1.00 0.00 C ATOM 1143 O LYS B 13 10.281 11.423 -5.412 1.00 0.00 O ATOM 1144 CB LYS B 13 12.371 10.663 -7.980 1.00 0.00 C ATOM 1145 CG LYS B 13 12.363 9.810 -9.231 1.00 0.00 C ATOM 1146 CD LYS B 13 13.093 8.482 -9.044 1.00 0.00 C ATOM 1147 CE LYS B 13 14.456 8.653 -8.387 1.00 0.00 C ATOM 1148 NZ LYS B 13 15.371 9.518 -9.179 1.00 0.00 N ATOM 0 H LYS B 13 9.782 10.053 -7.751 1.00 0.00 H new ATOM 0 HA LYS B 13 12.275 9.235 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.913 11.626 -8.207 1.00 0.00 H new ATOM 0 HB3 LYS B 13 13.404 10.861 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.332 9.615 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS B 13 12.828 10.364 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.481 7.817 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.219 8.000 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.325 9.083 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS B 13 14.915 7.674 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 16.204 8.968 -9.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.875 9.867 -10.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.675 10.325 -8.598 1.00 0.00 H new ATOM 1162 N LYS B 14 12.516 11.552 -5.131 1.00 0.00 N ATOM 1163 CA LYS B 14 12.480 12.534 -4.051 1.00 0.00 C ATOM 1164 C LYS B 14 11.834 11.944 -2.799 1.00 0.00 C ATOM 1165 O LYS B 14 11.527 12.660 -1.842 1.00 0.00 O ATOM 1166 CB LYS B 14 11.743 13.782 -4.511 1.00 0.00 C ATOM 1167 CG LYS B 14 12.641 14.839 -5.135 1.00 0.00 C ATOM 1168 CD LYS B 14 13.221 15.775 -4.085 1.00 0.00 C ATOM 1169 CE LYS B 14 12.972 17.238 -4.437 1.00 0.00 C ATOM 1170 NZ LYS B 14 11.532 17.594 -4.354 1.00 0.00 N ATOM 0 H LYS B 14 13.459 11.265 -5.395 1.00 0.00 H new ATOM 0 HA LYS B 14 13.503 12.810 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS B 14 10.981 13.495 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS B 14 11.224 14.219 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS B 14 13.452 14.353 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS B 14 12.072 15.417 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS B 14 12.777 15.553 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS B 14 14.293 15.600 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS B 14 13.542 17.875 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS B 14 13.337 17.435 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 11.417 18.615 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 11.002 17.065 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 11.168 17.352 -3.410 1.00 0.00 H new ATOM 1184 N VAL B 15 11.641 10.630 -2.817 1.00 0.00 N ATOM 1185 CA VAL B 15 11.055 9.922 -1.688 1.00 0.00 C ATOM 1186 C VAL B 15 12.102 9.794 -0.594 1.00 0.00 C ATOM 1187 O VAL B 15 13.070 9.057 -0.738 1.00 0.00 O ATOM 1188 CB VAL B 15 10.551 8.522 -2.103 1.00 0.00 C ATOM 1189 CG1 VAL B 15 9.710 7.891 -1.012 1.00 0.00 C ATOM 1190 CG2 VAL B 15 9.750 8.604 -3.385 1.00 0.00 C ATOM 0 H VAL B 15 11.884 10.032 -3.607 1.00 0.00 H new ATOM 0 HA VAL B 15 10.197 10.487 -1.324 1.00 0.00 H new ATOM 0 HB VAL B 15 11.426 7.894 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL B 15 9.372 6.907 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL B 15 10.307 7.789 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.846 8.523 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.403 7.608 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL B 15 8.891 9.259 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.378 9.004 -4.181 1.00 0.00 H new ATOM 1200 N ARG B 16 11.911 10.519 0.489 1.00 0.00 N ATOM 1201 CA ARG B 16 12.857 10.532 1.582 1.00 0.00 C ATOM 1202 C ARG B 16 12.532 9.485 2.635 1.00 0.00 C ATOM 1203 O ARG B 16 11.373 9.249 2.962 1.00 0.00 O ATOM 1204 CB ARG B 16 12.880 11.931 2.205 1.00 0.00 C ATOM 1205 CG ARG B 16 13.232 13.012 1.196 1.00 0.00 C ATOM 1206 CD ARG B 16 13.115 14.412 1.782 1.00 0.00 C ATOM 1207 NE ARG B 16 13.907 15.382 1.020 1.00 0.00 N ATOM 1208 CZ ARG B 16 15.240 15.338 0.901 1.00 0.00 C ATOM 1209 NH1 ARG B 16 15.954 14.468 1.602 1.00 0.00 N ATOM 1210 NH2 ARG B 16 15.870 16.191 0.102 1.00 0.00 N ATOM 0 H ARG B 16 11.096 11.115 0.635 1.00 0.00 H new ATOM 0 HA ARG B 16 13.841 10.283 1.186 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.904 12.148 2.639 1.00 0.00 H new ATOM 0 HB3 ARG B 16 13.603 11.950 3.020 1.00 0.00 H new ATOM 0 HG2 ARG B 16 14.250 12.854 0.839 1.00 0.00 H new ATOM 0 HG3 ARG B 16 12.574 12.927 0.331 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.069 14.719 1.787 1.00 0.00 H new ATOM 0 HD3 ARG B 16 13.450 14.402 2.819 1.00 0.00 H new ATOM 0 HE ARG B 16 13.411 16.139 0.550 1.00 0.00 H new ATOM 0 HH11 ARG B 16 15.488 13.823 2.240 1.00 0.00 H new ATOM 0 HH12 ARG B 16 16.969 14.444 1.503 1.00 0.00 H new ATOM 0 HH21 ARG B 16 15.338 16.884 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG B 16 16.886 16.153 0.015 1.00 0.00 H new ATOM 1224 N GLN B 17 13.570 8.836 3.127 1.00 0.00 N ATOM 1225 CA GLN B 17 13.436 7.835 4.170 1.00 0.00 C ATOM 1226 C GLN B 17 14.479 8.121 5.234 1.00 0.00 C ATOM 1227 O GLN B 17 15.632 7.719 5.107 1.00 0.00 O ATOM 1228 CB GLN B 17 13.601 6.420 3.607 1.00 0.00 C ATOM 1229 CG GLN B 17 13.254 5.323 4.603 1.00 0.00 C ATOM 1230 CD GLN B 17 14.454 4.846 5.399 1.00 0.00 C ATOM 1231 OE1 GLN B 17 15.569 4.774 4.887 1.00 0.00 O ATOM 1232 NE2 GLN B 17 14.232 4.523 6.664 1.00 0.00 N ATOM 0 H GLN B 17 14.530 8.987 2.816 1.00 0.00 H new ATOM 0 HA GLN B 17 12.437 7.887 4.603 1.00 0.00 H new ATOM 0 HB2 GLN B 17 12.968 6.313 2.726 1.00 0.00 H new ATOM 0 HB3 GLN B 17 14.631 6.287 3.277 1.00 0.00 H new ATOM 0 HG2 GLN B 17 12.492 5.691 5.290 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.820 4.478 4.068 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.291 4.597 7.052 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.002 4.201 7.251 1.00 0.00 H new ATOM 1241 N LYS B 18 14.066 8.861 6.249 1.00 0.00 N ATOM 1242 CA LYS B 18 14.934 9.261 7.349 1.00 0.00 C ATOM 1243 C LYS B 18 15.854 10.388 6.895 1.00 0.00 C ATOM 1244 O LYS B 18 17.077 10.308 7.015 1.00 0.00 O ATOM 1245 CB LYS B 18 15.740 8.089 7.929 1.00 0.00 C ATOM 1246 CG LYS B 18 15.764 8.054 9.456 1.00 0.00 C ATOM 1247 CD LYS B 18 16.481 9.264 10.050 1.00 0.00 C ATOM 1248 CE LYS B 18 15.532 10.435 10.276 1.00 0.00 C ATOM 1249 NZ LYS B 18 16.237 11.630 10.798 1.00 0.00 N ATOM 0 H LYS B 18 13.110 9.205 6.336 1.00 0.00 H new ATOM 0 HA LYS B 18 14.296 9.618 8.158 1.00 0.00 H new ATOM 0 HB2 LYS B 18 15.320 7.153 7.560 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.764 8.146 7.560 1.00 0.00 H new ATOM 0 HG2 LYS B 18 14.742 8.019 9.833 1.00 0.00 H new ATOM 0 HG3 LYS B 18 16.258 7.141 9.789 1.00 0.00 H new ATOM 0 HD2 LYS B 18 16.943 8.983 10.997 1.00 0.00 H new ATOM 0 HD3 LYS B 18 17.285 9.573 9.382 1.00 0.00 H new ATOM 0 HE2 LYS B 18 15.038 10.687 9.338 1.00 0.00 H new ATOM 0 HE3 LYS B 18 14.752 10.139 10.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 15.555 12.402 10.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 16.688 11.398 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 16.964 11.929 10.117 1.00 0.00 H new ATOM 1263 N LYS B 19 15.229 11.425 6.345 1.00 0.00 N ATOM 1264 CA LYS B 19 15.913 12.629 5.877 1.00 0.00 C ATOM 1265 C LYS B 19 16.809 12.398 4.654 1.00 0.00 C ATOM 1266 O LYS B 19 17.591 13.278 4.296 1.00 0.00 O ATOM 1267 CB LYS B 19 16.738 13.245 7.013 1.00 0.00 C ATOM 1268 CG LYS B 19 16.604 14.754 7.109 1.00 0.00 C ATOM 1269 CD LYS B 19 15.289 15.158 7.752 1.00 0.00 C ATOM 1270 CE LYS B 19 15.475 15.530 9.212 1.00 0.00 C ATOM 1271 NZ LYS B 19 14.353 16.359 9.714 1.00 0.00 N ATOM 0 H LYS B 19 14.218 11.454 6.209 1.00 0.00 H new ATOM 0 HA LYS B 19 15.128 13.316 5.561 1.00 0.00 H new ATOM 0 HB2 LYS B 19 16.429 12.800 7.959 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.788 12.990 6.869 1.00 0.00 H new ATOM 0 HG2 LYS B 19 17.433 15.157 7.690 1.00 0.00 H new ATOM 0 HG3 LYS B 19 16.672 15.190 6.112 1.00 0.00 H new ATOM 0 HD2 LYS B 19 14.863 16.003 7.211 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.576 14.337 7.673 1.00 0.00 H new ATOM 0 HE2 LYS B 19 15.554 14.623 9.811 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.412 16.074 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.515 16.593 10.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.293 17.236 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.462 15.830 9.622 1.00 0.00 H new ATOM 1285 N GLN B 20 16.684 11.261 3.979 1.00 0.00 N ATOM 1286 CA GLN B 20 17.523 11.012 2.813 1.00 0.00 C ATOM 1287 C GLN B 20 16.664 10.890 1.567 1.00 0.00 C ATOM 1288 O GLN B 20 15.711 10.112 1.527 1.00 0.00 O ATOM 1289 CB GLN B 20 18.403 9.768 3.002 1.00 0.00 C ATOM 1290 CG GLN B 20 17.633 8.466 3.111 1.00 0.00 C ATOM 1291 CD GLN B 20 18.537 7.255 3.226 1.00 0.00 C ATOM 1292 OE1 GLN B 20 19.644 7.237 2.688 1.00 0.00 O ATOM 1293 NE2 GLN B 20 18.071 6.233 3.925 1.00 0.00 N ATOM 0 H GLN B 20 16.028 10.515 4.210 1.00 0.00 H new ATOM 0 HA GLN B 20 18.194 11.862 2.692 1.00 0.00 H new ATOM 0 HB2 GLN B 20 19.096 9.697 2.163 1.00 0.00 H new ATOM 0 HB3 GLN B 20 19.004 9.897 3.902 1.00 0.00 H new ATOM 0 HG2 GLN B 20 16.978 8.509 3.981 1.00 0.00 H new ATOM 0 HG3 GLN B 20 16.993 8.354 2.236 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.148 6.288 4.355 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.635 5.390 4.034 1.00 0.00 H new ATOM 1302 N ASP B 21 16.985 11.692 0.566 1.00 0.00 N ATOM 1303 CA ASP B 21 16.243 11.696 -0.685 1.00 0.00 C ATOM 1304 C ASP B 21 16.559 10.481 -1.535 1.00 0.00 C ATOM 1305 O ASP B 21 17.709 10.227 -1.898 1.00 0.00 O ATOM 1306 CB ASP B 21 16.506 12.980 -1.479 1.00 0.00 C ATOM 1307 CG ASP B 21 17.876 13.576 -1.218 1.00 0.00 C ATOM 1308 OD1 ASP B 21 18.047 14.213 -0.148 1.00 0.00 O ATOM 1309 OD2 ASP B 21 18.769 13.419 -2.067 1.00 0.00 O ATOM 0 H ASP B 21 17.761 12.354 0.596 1.00 0.00 H new ATOM 0 HA ASP B 21 15.185 11.656 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP B 21 16.406 12.768 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP B 21 15.743 13.717 -1.228 1.00 0.00 H new ATOM 1314 N GLY B 22 15.526 9.710 -1.813 1.00 0.00 N ATOM 1315 CA GLY B 22 15.678 8.545 -2.621 1.00 0.00 C ATOM 1316 C GLY B 22 14.529 8.338 -3.574 1.00 0.00 C ATOM 1317 O GLY B 22 14.012 9.285 -4.175 1.00 0.00 O ATOM 0 H GLY B 22 14.576 9.881 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.605 8.621 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.770 7.671 -1.976 1.00 0.00 H new ATOM 1321 N ALA B 23 14.117 7.097 -3.687 1.00 0.00 N ATOM 1322 CA ALA B 23 13.058 6.711 -4.577 1.00 0.00 C ATOM 1323 C ALA B 23 12.253 5.568 -3.999 1.00 0.00 C ATOM 1324 O ALA B 23 12.808 4.632 -3.424 1.00 0.00 O ATOM 1325 CB ALA B 23 13.652 6.287 -5.900 1.00 0.00 C ATOM 0 H ALA B 23 14.515 6.322 -3.156 1.00 0.00 H new ATOM 0 HA ALA B 23 12.393 7.563 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.853 5.993 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA B 23 14.208 7.119 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA B 23 14.324 5.443 -5.743 1.00 0.00 H new ATOM 1331 N LEU B 24 10.948 5.642 -4.164 1.00 0.00 N ATOM 1332 CA LEU B 24 10.078 4.603 -3.678 1.00 0.00 C ATOM 1333 C LEU B 24 9.613 3.797 -4.880 1.00 0.00 C ATOM 1334 O LEU B 24 8.844 4.283 -5.713 1.00 0.00 O ATOM 1335 CB LEU B 24 8.887 5.191 -2.926 1.00 0.00 C ATOM 1336 CG LEU B 24 8.367 4.325 -1.778 1.00 0.00 C ATOM 1337 CD1 LEU B 24 6.889 4.562 -1.547 1.00 0.00 C ATOM 1338 CD2 LEU B 24 8.637 2.856 -2.028 1.00 0.00 C ATOM 0 H LEU B 24 10.471 6.413 -4.632 1.00 0.00 H new ATOM 0 HA LEU B 24 10.612 3.964 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.171 6.166 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.075 5.359 -3.633 1.00 0.00 H new ATOM 0 HG LEU B 24 8.907 4.617 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.544 3.934 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.723 5.610 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.335 4.313 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.255 2.269 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.140 2.546 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.711 2.695 -2.124 1.00 0.00 H new ATOM 1350 N TYR B 25 10.108 2.585 -4.979 1.00 0.00 N ATOM 1351 CA TYR B 25 9.786 1.712 -6.087 1.00 0.00 C ATOM 1352 C TYR B 25 8.713 0.698 -5.724 1.00 0.00 C ATOM 1353 O TYR B 25 8.940 -0.192 -4.902 1.00 0.00 O ATOM 1354 CB TYR B 25 11.042 0.968 -6.527 1.00 0.00 C ATOM 1355 CG TYR B 25 11.868 1.681 -7.560 1.00 0.00 C ATOM 1356 CD1 TYR B 25 12.514 2.871 -7.263 1.00 0.00 C ATOM 1357 CD2 TYR B 25 12.012 1.153 -8.832 1.00 0.00 C ATOM 1358 CE1 TYR B 25 13.282 3.515 -8.208 1.00 0.00 C ATOM 1359 CE2 TYR B 25 12.775 1.789 -9.784 1.00 0.00 C ATOM 1360 CZ TYR B 25 13.411 2.973 -9.470 1.00 0.00 C ATOM 1361 OH TYR B 25 14.177 3.614 -10.419 1.00 0.00 O ATOM 0 H TYR B 25 10.745 2.176 -4.295 1.00 0.00 H new ATOM 0 HA TYR B 25 9.402 2.334 -6.895 1.00 0.00 H new ATOM 0 HB2 TYR B 25 11.663 0.782 -5.651 1.00 0.00 H new ATOM 0 HB3 TYR B 25 10.751 -0.005 -6.923 1.00 0.00 H new ATOM 0 HD1 TYR B 25 12.414 3.299 -6.277 1.00 0.00 H new ATOM 0 HD2 TYR B 25 11.517 0.226 -9.081 1.00 0.00 H new ATOM 0 HE1 TYR B 25 13.781 4.441 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR B 25 12.876 1.364 -10.772 1.00 0.00 H new ATOM 0 HH TYR B 25 14.164 3.099 -11.253 1.00 0.00 H new ATOM 1371 N LEU B 26 7.540 0.837 -6.315 1.00 0.00 N ATOM 1372 CA LEU B 26 6.481 -0.126 -6.085 1.00 0.00 C ATOM 1373 C LEU B 26 6.601 -1.193 -7.140 1.00 0.00 C ATOM 1374 O LEU B 26 6.243 -0.955 -8.298 1.00 0.00 O ATOM 1375 CB LEU B 26 5.077 0.475 -6.193 1.00 0.00 C ATOM 1376 CG LEU B 26 4.882 1.851 -5.595 1.00 0.00 C ATOM 1377 CD1 LEU B 26 3.530 2.407 -6.002 1.00 0.00 C ATOM 1378 CD2 LEU B 26 4.971 1.803 -4.087 1.00 0.00 C ATOM 0 H LEU B 26 7.299 1.598 -6.950 1.00 0.00 H new ATOM 0 HA LEU B 26 6.598 -0.506 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.806 0.520 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.376 -0.208 -5.713 1.00 0.00 H new ATOM 0 HG LEU B 26 5.674 2.498 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.398 3.398 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.478 2.478 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.742 1.745 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.827 2.805 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.198 1.140 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.952 1.430 -3.792 1.00 0.00 H new ATOM 1390 N MET B 27 7.135 -2.338 -6.780 1.00 0.00 N ATOM 1391 CA MET B 27 7.249 -3.404 -7.742 1.00 0.00 C ATOM 1392 C MET B 27 6.107 -4.363 -7.591 1.00 0.00 C ATOM 1393 O MET B 27 5.470 -4.433 -6.537 1.00 0.00 O ATOM 1394 CB MET B 27 8.583 -4.152 -7.663 1.00 0.00 C ATOM 1395 CG MET B 27 9.666 -3.593 -8.567 1.00 0.00 C ATOM 1396 SD MET B 27 10.165 -1.924 -8.123 1.00 0.00 S ATOM 1397 CE MET B 27 10.842 -2.227 -6.498 1.00 0.00 C ATOM 0 H MET B 27 7.490 -2.551 -5.848 1.00 0.00 H new ATOM 0 HA MET B 27 7.213 -2.938 -8.727 1.00 0.00 H new ATOM 0 HB2 MET B 27 8.938 -4.130 -6.633 1.00 0.00 H new ATOM 0 HB3 MET B 27 8.416 -5.198 -7.920 1.00 0.00 H new ATOM 0 HG2 MET B 27 10.536 -4.248 -8.529 1.00 0.00 H new ATOM 0 HG3 MET B 27 9.309 -3.597 -9.597 1.00 0.00 H new ATOM 0 HE1 MET B 27 11.692 -1.566 -6.329 1.00 0.00 H new ATOM 0 HE2 MET B 27 10.078 -2.037 -5.744 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.170 -3.264 -6.428 1.00 0.00 H new ATOM 1407 N ALA B 28 5.900 -5.115 -8.648 1.00 0.00 N ATOM 1408 CA ALA B 28 4.808 -6.050 -8.757 1.00 0.00 C ATOM 1409 C ALA B 28 4.498 -6.819 -7.483 1.00 0.00 C ATOM 1410 O ALA B 28 3.371 -6.782 -6.988 1.00 0.00 O ATOM 1411 CB ALA B 28 5.098 -7.050 -9.839 1.00 0.00 C ATOM 0 H ALA B 28 6.500 -5.092 -9.472 1.00 0.00 H new ATOM 0 HA ALA B 28 3.935 -5.438 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA B 28 4.269 -7.753 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA B 28 5.223 -6.531 -10.790 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.012 -7.592 -9.598 1.00 0.00 H new ATOM 1417 N GLU B 29 5.501 -7.499 -6.949 1.00 0.00 N ATOM 1418 CA GLU B 29 5.307 -8.331 -5.772 1.00 0.00 C ATOM 1419 C GLU B 29 5.869 -7.705 -4.499 1.00 0.00 C ATOM 1420 O GLU B 29 5.545 -8.148 -3.391 1.00 0.00 O ATOM 1421 CB GLU B 29 5.965 -9.698 -6.009 1.00 0.00 C ATOM 1422 CG GLU B 29 5.661 -10.297 -7.379 1.00 0.00 C ATOM 1423 CD GLU B 29 6.682 -11.335 -7.816 1.00 0.00 C ATOM 1424 OE1 GLU B 29 6.984 -12.255 -7.024 1.00 0.00 O ATOM 1425 OE2 GLU B 29 7.198 -11.233 -8.950 1.00 0.00 O ATOM 0 H GLU B 29 6.455 -7.491 -7.311 1.00 0.00 H new ATOM 0 HA GLU B 29 4.233 -8.437 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU B 29 7.045 -9.595 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.630 -10.391 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU B 29 4.672 -10.755 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU B 29 5.625 -9.497 -8.119 1.00 0.00 H new ATOM 1432 N ARG B 30 6.665 -6.658 -4.625 1.00 0.00 N ATOM 1433 CA ARG B 30 7.264 -6.067 -3.440 1.00 0.00 C ATOM 1434 C ARG B 30 7.590 -4.598 -3.626 1.00 0.00 C ATOM 1435 O ARG B 30 7.922 -4.149 -4.716 1.00 0.00 O ATOM 1436 CB ARG B 30 8.532 -6.827 -3.038 1.00 0.00 C ATOM 1437 CG ARG B 30 9.405 -7.233 -4.211 1.00 0.00 C ATOM 1438 CD ARG B 30 9.668 -8.729 -4.207 1.00 0.00 C ATOM 1439 NE ARG B 30 9.885 -9.240 -5.552 1.00 0.00 N ATOM 1440 CZ ARG B 30 9.509 -10.447 -5.965 1.00 0.00 C ATOM 1441 NH1 ARG B 30 8.902 -11.287 -5.133 1.00 0.00 N ATOM 1442 NH2 ARG B 30 9.735 -10.811 -7.217 1.00 0.00 N ATOM 0 H ARG B 30 6.907 -6.209 -5.508 1.00 0.00 H new ATOM 0 HA ARG B 30 6.522 -6.145 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG B 30 9.117 -6.205 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG B 30 8.247 -7.721 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG B 30 8.920 -6.949 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG B 30 10.352 -6.694 -4.167 1.00 0.00 H new ATOM 0 HD2 ARG B 30 10.541 -8.944 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG B 30 8.823 -9.246 -3.753 1.00 0.00 H new ATOM 0 HE ARG B 30 10.356 -8.633 -6.222 1.00 0.00 H new ATOM 0 HH11 ARG B 30 8.721 -11.008 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.617 -12.211 -5.459 1.00 0.00 H new ATOM 0 HH21 ARG B 30 10.196 -10.167 -7.860 1.00 0.00 H new ATOM 0 HH22 ARG B 30 9.449 -11.736 -7.539 1.00 0.00 H new ATOM 1456 N ILE B 31 7.496 -3.866 -2.539 1.00 0.00 N ATOM 1457 CA ILE B 31 7.790 -2.452 -2.533 1.00 0.00 C ATOM 1458 C ILE B 31 9.205 -2.248 -2.004 1.00 0.00 C ATOM 1459 O ILE B 31 9.533 -2.677 -0.896 1.00 0.00 O ATOM 1460 CB ILE B 31 6.761 -1.674 -1.679 1.00 0.00 C ATOM 1461 CG1 ILE B 31 7.248 -0.251 -1.407 1.00 0.00 C ATOM 1462 CG2 ILE B 31 6.475 -2.409 -0.373 1.00 0.00 C ATOM 1463 CD1 ILE B 31 6.159 0.674 -0.915 1.00 0.00 C ATOM 0 H ILE B 31 7.213 -4.236 -1.632 1.00 0.00 H new ATOM 0 HA ILE B 31 7.722 -2.063 -3.549 1.00 0.00 H new ATOM 0 HB ILE B 31 5.830 -1.611 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE B 31 8.048 -0.284 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE B 31 7.677 0.159 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.749 -1.844 0.211 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.073 -3.398 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE B 31 7.399 -2.511 0.197 1.00 0.00 H new ATOM 0 HD11 ILE B 31 6.575 1.667 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.369 0.737 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE B 31 5.746 0.287 0.016 1.00 0.00 H new ATOM 1475 N ALA B 32 10.051 -1.630 -2.807 1.00 0.00 N ATOM 1476 CA ALA B 32 11.428 -1.408 -2.411 1.00 0.00 C ATOM 1477 C ALA B 32 11.828 0.052 -2.556 1.00 0.00 C ATOM 1478 O ALA B 32 11.528 0.695 -3.554 1.00 0.00 O ATOM 1479 CB ALA B 32 12.359 -2.299 -3.217 1.00 0.00 C ATOM 0 H ALA B 32 9.810 -1.275 -3.732 1.00 0.00 H new ATOM 0 HA ALA B 32 11.515 -1.667 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA B 32 13.389 -2.122 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA B 32 12.103 -3.344 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA B 32 12.253 -2.071 -4.278 1.00 0.00 H new ATOM 1485 N TRP B 33 12.496 0.566 -1.546 1.00 0.00 N ATOM 1486 CA TRP B 33 12.952 1.937 -1.544 1.00 0.00 C ATOM 1487 C TRP B 33 14.475 1.980 -1.542 1.00 0.00 C ATOM 1488 O TRP B 33 15.136 1.133 -0.929 1.00 0.00 O ATOM 1489 CB TRP B 33 12.393 2.668 -0.311 1.00 0.00 C ATOM 1490 CG TRP B 33 12.800 4.119 -0.192 1.00 0.00 C ATOM 1491 CD1 TRP B 33 12.020 5.220 -0.412 1.00 0.00 C ATOM 1492 CD2 TRP B 33 14.088 4.623 0.184 1.00 0.00 C ATOM 1493 NE1 TRP B 33 12.753 6.366 -0.201 1.00 0.00 N ATOM 1494 CE2 TRP B 33 14.021 6.023 0.164 1.00 0.00 C ATOM 1495 CE3 TRP B 33 15.290 4.017 0.528 1.00 0.00 C ATOM 1496 CZ2 TRP B 33 15.115 6.826 0.478 1.00 0.00 C ATOM 1497 CZ3 TRP B 33 16.374 4.802 0.831 1.00 0.00 C ATOM 1498 CH2 TRP B 33 16.283 6.201 0.806 1.00 0.00 C ATOM 0 H TRP B 33 12.738 0.044 -0.704 1.00 0.00 H new ATOM 0 HA TRP B 33 12.592 2.437 -2.443 1.00 0.00 H new ATOM 0 HB2 TRP B 33 11.305 2.612 -0.336 1.00 0.00 H new ATOM 0 HB3 TRP B 33 12.719 2.140 0.585 1.00 0.00 H new ATOM 0 HD1 TRP B 33 10.982 5.194 -0.708 1.00 0.00 H new ATOM 0 HE1 TRP B 33 12.403 7.319 -0.302 1.00 0.00 H new ATOM 0 HE3 TRP B 33 15.370 2.940 0.557 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 15.042 7.903 0.462 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 17.312 4.335 1.093 1.00 0.00 H new ATOM 0 HH2 TRP B 33 17.152 6.794 1.050 1.00 0.00 H new ATOM 1509 N ALA B 34 15.012 2.960 -2.244 1.00 0.00 N ATOM 1510 CA ALA B 34 16.443 3.195 -2.318 1.00 0.00 C ATOM 1511 C ALA B 34 16.665 4.677 -2.551 1.00 0.00 C ATOM 1512 O ALA B 34 15.789 5.320 -3.096 1.00 0.00 O ATOM 1513 CB ALA B 34 17.061 2.388 -3.427 1.00 0.00 C ATOM 0 H ALA B 34 14.460 3.624 -2.786 1.00 0.00 H new ATOM 0 HA ALA B 34 16.918 2.886 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA B 34 18.133 2.580 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA B 34 16.889 1.327 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA B 34 16.609 2.671 -4.378 1.00 0.00 H new ATOM 1519 N PRO B 35 17.800 5.258 -2.132 1.00 0.00 N ATOM 1520 CA PRO B 35 18.062 6.690 -2.343 1.00 0.00 C ATOM 1521 C PRO B 35 18.245 6.989 -3.834 1.00 0.00 C ATOM 1522 O PRO B 35 17.980 6.122 -4.666 1.00 0.00 O ATOM 1523 CB PRO B 35 19.367 6.945 -1.572 1.00 0.00 C ATOM 1524 CG PRO B 35 19.576 5.733 -0.719 1.00 0.00 C ATOM 1525 CD PRO B 35 18.909 4.594 -1.436 1.00 0.00 C ATOM 0 HA PRO B 35 17.243 7.324 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO B 35 20.203 7.092 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO B 35 19.292 7.845 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO B 35 20.639 5.535 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO B 35 19.144 5.875 0.272 1.00 0.00 H new ATOM 0 HD2 PRO B 35 19.587 4.101 -2.132 1.00 0.00 H new ATOM 0 HD3 PRO B 35 18.554 3.831 -0.743 1.00 0.00 H new ATOM 1533 N GLU B 36 18.670 8.210 -4.189 1.00 0.00 N ATOM 1534 CA GLU B 36 18.892 8.536 -5.604 1.00 0.00 C ATOM 1535 C GLU B 36 19.790 7.470 -6.237 1.00 0.00 C ATOM 1536 O GLU B 36 19.639 7.114 -7.409 1.00 0.00 O ATOM 1537 CB GLU B 36 19.498 9.930 -5.777 1.00 0.00 C ATOM 1538 CG GLU B 36 19.423 10.445 -7.210 1.00 0.00 C ATOM 1539 CD GLU B 36 18.112 10.093 -7.900 1.00 0.00 C ATOM 1540 OE1 GLU B 36 17.054 10.615 -7.492 1.00 0.00 O ATOM 1541 OE2 GLU B 36 18.128 9.284 -8.854 1.00 0.00 O ATOM 0 H GLU B 36 18.862 8.969 -3.536 1.00 0.00 H new ATOM 0 HA GLU B 36 17.927 8.544 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU B 36 18.980 10.628 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU B 36 20.541 9.908 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU B 36 19.547 11.528 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU B 36 20.252 10.030 -7.783 1.00 0.00 H new ATOM 1548 N GLY B 37 20.712 6.942 -5.440 1.00 0.00 N ATOM 1549 CA GLY B 37 21.570 5.873 -5.901 1.00 0.00 C ATOM 1550 C GLY B 37 20.847 4.547 -5.755 1.00 0.00 C ATOM 1551 O GLY B 37 21.346 3.615 -5.123 1.00 0.00 O ATOM 0 H GLY B 37 20.879 7.239 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.845 6.037 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.495 5.861 -5.325 1.00 0.00 H new ATOM 1555 N LYS B 38 19.650 4.492 -6.341 1.00 0.00 N ATOM 1556 CA LYS B 38 18.761 3.326 -6.298 1.00 0.00 C ATOM 1557 C LYS B 38 19.343 2.090 -6.966 1.00 0.00 C ATOM 1558 O LYS B 38 18.663 1.075 -7.105 1.00 0.00 O ATOM 1559 CB LYS B 38 17.426 3.666 -6.948 1.00 0.00 C ATOM 1560 CG LYS B 38 17.535 4.671 -8.087 1.00 0.00 C ATOM 1561 CD LYS B 38 18.171 4.053 -9.327 1.00 0.00 C ATOM 1562 CE LYS B 38 18.874 5.095 -10.187 1.00 0.00 C ATOM 1563 NZ LYS B 38 20.164 5.548 -9.591 1.00 0.00 N ATOM 0 H LYS B 38 19.262 5.273 -6.870 1.00 0.00 H new ATOM 0 HA LYS B 38 18.629 3.084 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS B 38 16.973 2.750 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS B 38 16.753 4.064 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS B 38 16.543 5.047 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS B 38 18.128 5.526 -7.762 1.00 0.00 H new ATOM 0 HD2 LYS B 38 18.887 3.289 -9.025 1.00 0.00 H new ATOM 0 HD3 LYS B 38 17.403 3.554 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS B 38 19.061 4.679 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS B 38 18.217 5.955 -10.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 20.545 6.339 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 20.003 5.860 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 20.844 4.761 -9.596 1.00 0.00 H new ATOM 1577 N ASP B 39 20.590 2.182 -7.389 1.00 0.00 N ATOM 1578 CA ASP B 39 21.280 1.059 -8.000 1.00 0.00 C ATOM 1579 C ASP B 39 21.483 -0.004 -6.926 1.00 0.00 C ATOM 1580 O ASP B 39 21.875 -1.138 -7.196 1.00 0.00 O ATOM 1581 CB ASP B 39 22.621 1.514 -8.592 1.00 0.00 C ATOM 1582 CG ASP B 39 22.840 3.012 -8.445 1.00 0.00 C ATOM 1583 OD1 ASP B 39 22.102 3.799 -9.086 1.00 0.00 O ATOM 1584 OD2 ASP B 39 23.727 3.407 -7.661 1.00 0.00 O ATOM 0 H ASP B 39 21.151 3.031 -7.320 1.00 0.00 H new ATOM 0 HA ASP B 39 20.691 0.647 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP B 39 23.433 0.980 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP B 39 22.659 1.246 -9.648 1.00 0.00 H new ATOM 1589 N ARG B 40 21.213 0.412 -5.694 1.00 0.00 N ATOM 1590 CA ARG B 40 21.294 -0.437 -4.526 1.00 0.00 C ATOM 1591 C ARG B 40 20.082 -0.136 -3.643 1.00 0.00 C ATOM 1592 O ARG B 40 19.894 1.000 -3.208 1.00 0.00 O ATOM 1593 CB ARG B 40 22.610 -0.201 -3.770 1.00 0.00 C ATOM 1594 CG ARG B 40 22.814 1.234 -3.304 1.00 0.00 C ATOM 1595 CD ARG B 40 24.258 1.678 -3.468 1.00 0.00 C ATOM 1596 NE ARG B 40 24.551 2.110 -4.836 1.00 0.00 N ATOM 1597 CZ ARG B 40 25.722 1.930 -5.445 1.00 0.00 C ATOM 1598 NH1 ARG B 40 26.711 1.296 -4.823 1.00 0.00 N ATOM 1599 NH2 ARG B 40 25.898 2.380 -6.680 1.00 0.00 N ATOM 0 H ARG B 40 20.927 1.368 -5.482 1.00 0.00 H new ATOM 0 HA ARG B 40 21.285 -1.487 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.641 -0.861 -2.903 1.00 0.00 H new ATOM 0 HB3 ARG B 40 23.442 -0.483 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG B 40 22.162 1.897 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.523 1.322 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG B 40 24.466 2.496 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG B 40 24.922 0.857 -3.198 1.00 0.00 H new ATOM 0 HE ARG B 40 23.810 2.579 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG B 40 26.575 0.945 -3.875 1.00 0.00 H new ATOM 0 HH12 ARG B 40 27.606 1.161 -5.294 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.138 2.862 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG B 40 26.793 2.244 -7.150 1.00 0.00 H new ATOM 1613 N PHE B 41 19.247 -1.133 -3.398 1.00 0.00 N ATOM 1614 CA PHE B 41 18.055 -0.923 -2.587 1.00 0.00 C ATOM 1615 C PHE B 41 18.387 -0.928 -1.103 1.00 0.00 C ATOM 1616 O PHE B 41 19.395 -1.490 -0.679 1.00 0.00 O ATOM 1617 CB PHE B 41 16.990 -1.972 -2.900 1.00 0.00 C ATOM 1618 CG PHE B 41 16.288 -1.734 -4.209 1.00 0.00 C ATOM 1619 CD1 PHE B 41 15.400 -0.679 -4.351 1.00 0.00 C ATOM 1620 CD2 PHE B 41 16.519 -2.561 -5.295 1.00 0.00 C ATOM 1621 CE1 PHE B 41 14.754 -0.454 -5.551 1.00 0.00 C ATOM 1622 CE2 PHE B 41 15.875 -2.342 -6.499 1.00 0.00 C ATOM 1623 CZ PHE B 41 14.993 -1.286 -6.627 1.00 0.00 C ATOM 0 H PHE B 41 19.368 -2.085 -3.743 1.00 0.00 H new ATOM 0 HA PHE B 41 17.656 0.059 -2.839 1.00 0.00 H new ATOM 0 HB2 PHE B 41 17.455 -2.958 -2.919 1.00 0.00 H new ATOM 0 HB3 PHE B 41 16.253 -1.983 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.211 -0.025 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE B 41 17.210 -3.386 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE B 41 14.063 0.371 -5.648 1.00 0.00 H new ATOM 0 HE2 PHE B 41 16.061 -2.996 -7.338 1.00 0.00 H new ATOM 0 HZ PHE B 41 14.491 -1.112 -7.567 1.00 0.00 H new ATOM 1633 N THR B 42 17.534 -0.285 -0.324 1.00 0.00 N ATOM 1634 CA THR B 42 17.725 -0.189 1.111 1.00 0.00 C ATOM 1635 C THR B 42 16.597 -0.882 1.874 1.00 0.00 C ATOM 1636 O THR B 42 16.838 -1.646 2.807 1.00 0.00 O ATOM 1637 CB THR B 42 17.798 1.292 1.532 1.00 0.00 C ATOM 1638 OG1 THR B 42 18.858 1.941 0.817 1.00 0.00 O ATOM 1639 CG2 THR B 42 18.019 1.440 3.029 1.00 0.00 C ATOM 0 H THR B 42 16.695 0.182 -0.667 1.00 0.00 H new ATOM 0 HA THR B 42 18.661 -0.691 1.357 1.00 0.00 H new ATOM 0 HB THR B 42 16.844 1.760 1.290 1.00 0.00 H new ATOM 0 HG1 THR B 42 19.009 2.833 1.194 1.00 0.00 H new ATOM 0 HG21 THR B 42 18.065 2.498 3.287 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.195 0.971 3.567 1.00 0.00 H new ATOM 0 HG23 THR B 42 18.956 0.958 3.308 1.00 0.00 H new ATOM 1647 N ILE B 43 15.366 -0.628 1.458 1.00 0.00 N ATOM 1648 CA ILE B 43 14.204 -1.199 2.121 1.00 0.00 C ATOM 1649 C ILE B 43 13.348 -2.003 1.143 1.00 0.00 C ATOM 1650 O ILE B 43 12.909 -1.480 0.126 1.00 0.00 O ATOM 1651 CB ILE B 43 13.367 -0.073 2.767 1.00 0.00 C ATOM 1652 CG1 ILE B 43 13.959 0.314 4.120 1.00 0.00 C ATOM 1653 CG2 ILE B 43 11.907 -0.476 2.918 1.00 0.00 C ATOM 1654 CD1 ILE B 43 13.407 1.608 4.668 1.00 0.00 C ATOM 0 H ILE B 43 15.146 -0.029 0.663 1.00 0.00 H new ATOM 0 HA ILE B 43 14.551 -1.881 2.897 1.00 0.00 H new ATOM 0 HB ILE B 43 13.402 0.792 2.104 1.00 0.00 H new ATOM 0 HG12 ILE B 43 13.766 -0.486 4.835 1.00 0.00 H new ATOM 0 HG13 ILE B 43 15.041 0.401 4.023 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.350 0.341 3.376 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.487 -0.697 1.937 1.00 0.00 H new ATOM 0 HG23 ILE B 43 11.837 -1.362 3.550 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.871 1.823 5.631 1.00 0.00 H new ATOM 0 HD12 ILE B 43 13.623 2.419 3.973 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.328 1.518 4.797 1.00 0.00 H new ATOM 1666 N SER B 44 13.156 -3.283 1.434 1.00 0.00 N ATOM 1667 CA SER B 44 12.352 -4.156 0.589 1.00 0.00 C ATOM 1668 C SER B 44 11.294 -4.887 1.409 1.00 0.00 C ATOM 1669 O SER B 44 11.622 -5.626 2.337 1.00 0.00 O ATOM 1670 CB SER B 44 13.252 -5.156 -0.136 1.00 0.00 C ATOM 1671 OG SER B 44 14.311 -4.487 -0.802 1.00 0.00 O ATOM 0 H SER B 44 13.550 -3.742 2.255 1.00 0.00 H new ATOM 0 HA SER B 44 11.838 -3.542 -0.150 1.00 0.00 H new ATOM 0 HB2 SER B 44 13.659 -5.871 0.579 1.00 0.00 H new ATOM 0 HB3 SER B 44 12.665 -5.725 -0.857 1.00 0.00 H new ATOM 0 HG SER B 44 14.877 -5.144 -1.259 1.00 0.00 H new ATOM 1677 N HIS B 45 10.033 -4.674 1.068 1.00 0.00 N ATOM 1678 CA HIS B 45 8.927 -5.319 1.757 1.00 0.00 C ATOM 1679 C HIS B 45 7.980 -5.902 0.738 1.00 0.00 C ATOM 1680 O HIS B 45 7.725 -5.303 -0.304 1.00 0.00 O ATOM 1681 CB HIS B 45 8.179 -4.336 2.663 1.00 0.00 C ATOM 1682 CG HIS B 45 9.014 -3.784 3.775 1.00 0.00 C ATOM 1683 ND1 HIS B 45 9.472 -4.528 4.838 1.00 0.00 N ATOM 1684 CD2 HIS B 45 9.493 -2.532 3.962 1.00 0.00 C ATOM 1685 CE1 HIS B 45 10.204 -3.723 5.619 1.00 0.00 C ATOM 1686 NE2 HIS B 45 10.249 -2.498 5.130 1.00 0.00 N ATOM 0 H HIS B 45 9.748 -4.053 0.310 1.00 0.00 H new ATOM 0 HA HIS B 45 9.330 -6.111 2.389 1.00 0.00 H new ATOM 0 HB2 HIS B 45 7.806 -3.510 2.057 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.310 -4.838 3.088 1.00 0.00 H new ATOM 0 HD2 HIS B 45 9.316 -1.691 3.308 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.693 -4.035 6.530 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.736 -1.694 5.526 1.00 0.00 H new ATOM 1694 N MET B 46 7.474 -7.071 1.025 1.00 0.00 N ATOM 1695 CA MET B 46 6.561 -7.730 0.125 1.00 0.00 C ATOM 1696 C MET B 46 5.136 -7.409 0.522 1.00 0.00 C ATOM 1697 O MET B 46 4.820 -7.340 1.702 1.00 0.00 O ATOM 1698 CB MET B 46 6.799 -9.236 0.138 1.00 0.00 C ATOM 1699 CG MET B 46 7.833 -9.692 -0.877 1.00 0.00 C ATOM 1700 SD MET B 46 7.472 -11.317 -1.570 1.00 0.00 S ATOM 1701 CE MET B 46 5.899 -11.004 -2.369 1.00 0.00 C ATOM 0 H MET B 46 7.679 -7.590 1.879 1.00 0.00 H new ATOM 0 HA MET B 46 6.733 -7.369 -0.889 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.122 -9.537 1.135 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.857 -9.747 -0.060 1.00 0.00 H new ATOM 0 HG2 MET B 46 7.887 -8.962 -1.685 1.00 0.00 H new ATOM 0 HG3 MET B 46 8.814 -9.715 -0.403 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.166 -11.736 -2.030 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.555 -10.002 -2.115 1.00 0.00 H new ATOM 0 HE3 MET B 46 6.018 -11.084 -3.450 1.00 0.00 H new ATOM 1711 N TYR B 47 4.277 -7.223 -0.468 1.00 0.00 N ATOM 1712 CA TYR B 47 2.866 -6.897 -0.221 1.00 0.00 C ATOM 1713 C TYR B 47 2.178 -7.975 0.627 1.00 0.00 C ATOM 1714 O TYR B 47 1.055 -7.794 1.089 1.00 0.00 O ATOM 1715 CB TYR B 47 2.109 -6.737 -1.544 1.00 0.00 C ATOM 1716 CG TYR B 47 2.523 -5.529 -2.353 1.00 0.00 C ATOM 1717 CD1 TYR B 47 3.809 -5.414 -2.859 1.00 0.00 C ATOM 1718 CD2 TYR B 47 1.624 -4.503 -2.610 1.00 0.00 C ATOM 1719 CE1 TYR B 47 4.190 -4.313 -3.594 1.00 0.00 C ATOM 1720 CE2 TYR B 47 1.999 -3.397 -3.348 1.00 0.00 C ATOM 1721 CZ TYR B 47 3.284 -3.308 -3.836 1.00 0.00 C ATOM 1722 OH TYR B 47 3.669 -2.210 -4.564 1.00 0.00 O ATOM 0 H TYR B 47 4.525 -7.291 -1.455 1.00 0.00 H new ATOM 0 HA TYR B 47 2.845 -5.956 0.328 1.00 0.00 H new ATOM 0 HB2 TYR B 47 2.260 -7.633 -2.146 1.00 0.00 H new ATOM 0 HB3 TYR B 47 1.042 -6.671 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR B 47 4.524 -6.202 -2.674 1.00 0.00 H new ATOM 0 HD2 TYR B 47 0.616 -4.570 -2.227 1.00 0.00 H new ATOM 0 HE1 TYR B 47 5.197 -4.240 -3.979 1.00 0.00 H new ATOM 0 HE2 TYR B 47 1.289 -2.607 -3.541 1.00 0.00 H new ATOM 0 HH TYR B 47 2.913 -1.591 -4.647 1.00 0.00 H new ATOM 1732 N ALA B 48 2.861 -9.095 0.807 1.00 0.00 N ATOM 1733 CA ALA B 48 2.342 -10.202 1.587 1.00 0.00 C ATOM 1734 C ALA B 48 2.562 -9.996 3.083 1.00 0.00 C ATOM 1735 O ALA B 48 1.700 -10.339 3.890 1.00 0.00 O ATOM 1736 CB ALA B 48 2.993 -11.500 1.128 1.00 0.00 C ATOM 0 H ALA B 48 3.789 -9.260 0.416 1.00 0.00 H new ATOM 0 HA ALA B 48 1.266 -10.255 1.424 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.602 -12.331 1.715 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.772 -11.665 0.074 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.072 -11.434 1.266 1.00 0.00 H new ATOM 1742 N ASP B 49 3.698 -9.410 3.454 1.00 0.00 N ATOM 1743 CA ASP B 49 4.007 -9.198 4.865 1.00 0.00 C ATOM 1744 C ASP B 49 3.461 -7.870 5.359 1.00 0.00 C ATOM 1745 O ASP B 49 3.416 -7.624 6.564 1.00 0.00 O ATOM 1746 CB ASP B 49 5.522 -9.293 5.126 1.00 0.00 C ATOM 1747 CG ASP B 49 6.322 -8.145 4.526 1.00 0.00 C ATOM 1748 OD1 ASP B 49 6.404 -7.076 5.164 1.00 0.00 O ATOM 1749 OD2 ASP B 49 6.889 -8.324 3.424 1.00 0.00 O ATOM 0 H ASP B 49 4.412 -9.077 2.806 1.00 0.00 H new ATOM 0 HA ASP B 49 3.516 -9.993 5.427 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.695 -9.321 6.202 1.00 0.00 H new ATOM 0 HB3 ASP B 49 5.893 -10.234 4.719 1.00 0.00 H new ATOM 1754 N ILE B 50 3.034 -7.016 4.441 1.00 0.00 N ATOM 1755 CA ILE B 50 2.473 -5.731 4.822 1.00 0.00 C ATOM 1756 C ILE B 50 1.030 -5.920 5.274 1.00 0.00 C ATOM 1757 O ILE B 50 0.217 -6.505 4.562 1.00 0.00 O ATOM 1758 CB ILE B 50 2.531 -4.696 3.682 1.00 0.00 C ATOM 1759 CG1 ILE B 50 3.854 -4.802 2.926 1.00 0.00 C ATOM 1760 CG2 ILE B 50 2.374 -3.295 4.251 1.00 0.00 C ATOM 1761 CD1 ILE B 50 3.931 -3.905 1.711 1.00 0.00 C ATOM 0 H ILE B 50 3.065 -7.188 3.436 1.00 0.00 H new ATOM 0 HA ILE B 50 3.079 -5.341 5.640 1.00 0.00 H new ATOM 0 HB ILE B 50 1.716 -4.899 2.987 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.671 -4.553 3.603 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.003 -5.836 2.614 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.416 -2.567 3.441 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.414 -3.215 4.762 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.179 -3.097 4.959 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.898 -4.033 1.225 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.136 -4.168 1.013 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.815 -2.866 2.018 1.00 0.00 H new ATOM 1773 N LYS B 51 0.723 -5.420 6.461 1.00 0.00 N ATOM 1774 CA LYS B 51 -0.605 -5.551 7.036 1.00 0.00 C ATOM 1775 C LYS B 51 -1.535 -4.464 6.529 1.00 0.00 C ATOM 1776 O LYS B 51 -2.552 -4.741 5.896 1.00 0.00 O ATOM 1777 CB LYS B 51 -0.520 -5.465 8.560 1.00 0.00 C ATOM 1778 CG LYS B 51 -1.871 -5.548 9.239 1.00 0.00 C ATOM 1779 CD LYS B 51 -1.983 -4.577 10.395 1.00 0.00 C ATOM 1780 CE LYS B 51 -3.395 -4.568 10.939 1.00 0.00 C ATOM 1781 NZ LYS B 51 -4.063 -3.247 10.753 1.00 0.00 N ATOM 0 H LYS B 51 1.385 -4.914 7.050 1.00 0.00 H new ATOM 0 HA LYS B 51 -1.006 -6.519 6.736 1.00 0.00 H new ATOM 0 HB2 LYS B 51 0.114 -6.271 8.928 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -0.038 -4.528 8.838 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -2.656 -5.339 8.512 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.034 -6.563 9.601 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -1.284 -4.857 11.183 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.707 -3.575 10.065 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.979 -5.342 10.441 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -3.375 -4.817 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -4.912 -3.200 11.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -3.408 -2.486 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.336 -3.133 9.756 1.00 0.00 H new ATOM 1795 N CYS B 52 -1.177 -3.230 6.830 1.00 0.00 N ATOM 1796 CA CYS B 52 -1.970 -2.080 6.438 1.00 0.00 C ATOM 1797 C CYS B 52 -1.045 -0.925 6.122 1.00 0.00 C ATOM 1798 O CYS B 52 0.177 -1.063 6.176 1.00 0.00 O ATOM 1799 CB CYS B 52 -2.954 -1.698 7.547 1.00 0.00 C ATOM 1800 SG CYS B 52 -4.324 -2.867 7.745 1.00 0.00 S ATOM 0 H CYS B 52 -0.332 -2.997 7.351 1.00 0.00 H new ATOM 0 HA CYS B 52 -2.552 -2.329 5.551 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.413 -1.624 8.490 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -3.360 -0.709 7.334 1.00 0.00 H new ATOM 0 HG CYS B 52 -4.092 -3.931 7.036 1.00 0.00 H new ATOM 1806 N GLN B 53 -1.615 0.207 5.791 1.00 0.00 N ATOM 1807 CA GLN B 53 -0.827 1.363 5.449 1.00 0.00 C ATOM 1808 C GLN B 53 -1.215 2.533 6.340 1.00 0.00 C ATOM 1809 O GLN B 53 -2.162 2.446 7.106 1.00 0.00 O ATOM 1810 CB GLN B 53 -1.019 1.730 3.968 1.00 0.00 C ATOM 1811 CG GLN B 53 -1.051 0.535 3.018 1.00 0.00 C ATOM 1812 CD GLN B 53 -2.430 -0.106 2.902 1.00 0.00 C ATOM 1813 OE1 GLN B 53 -2.793 -0.974 3.682 1.00 0.00 O ATOM 1814 NE2 GLN B 53 -3.201 0.299 1.911 1.00 0.00 N ATOM 0 H GLN B 53 -2.624 0.352 5.751 1.00 0.00 H new ATOM 0 HA GLN B 53 0.226 1.130 5.608 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.950 2.287 3.863 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.212 2.398 3.665 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -0.723 0.857 2.029 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.338 -0.214 3.363 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.874 1.025 1.274 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.125 -0.114 1.782 1.00 0.00 H new ATOM 1823 N LYS B 54 -0.456 3.601 6.259 1.00 0.00 N ATOM 1824 CA LYS B 54 -0.720 4.812 7.014 1.00 0.00 C ATOM 1825 C LYS B 54 -0.380 5.992 6.125 1.00 0.00 C ATOM 1826 O LYS B 54 0.625 5.958 5.421 1.00 0.00 O ATOM 1827 CB LYS B 54 0.115 4.852 8.286 1.00 0.00 C ATOM 1828 CG LYS B 54 -0.401 3.966 9.403 1.00 0.00 C ATOM 1829 CD LYS B 54 -1.415 4.701 10.251 1.00 0.00 C ATOM 1830 CE LYS B 54 -1.357 4.265 11.704 1.00 0.00 C ATOM 1831 NZ LYS B 54 -0.093 4.700 12.366 1.00 0.00 N ATOM 0 H LYS B 54 0.370 3.658 5.663 1.00 0.00 H new ATOM 0 HA LYS B 54 -1.768 4.845 7.311 1.00 0.00 H new ATOM 0 HB2 LYS B 54 1.136 4.555 8.045 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.159 5.880 8.645 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -0.855 3.070 8.981 1.00 0.00 H new ATOM 0 HG3 LYS B 54 0.431 3.638 10.026 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -1.234 5.774 10.186 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -2.416 4.522 9.858 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -2.210 4.680 12.242 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -1.442 3.180 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -0.188 4.598 13.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.695 4.110 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 0.096 5.696 12.133 1.00 0.00 H new ATOM 1845 N ILE B 55 -1.203 7.026 6.132 1.00 0.00 N ATOM 1846 CA ILE B 55 -0.963 8.164 5.253 1.00 0.00 C ATOM 1847 C ILE B 55 -1.299 9.497 5.874 1.00 0.00 C ATOM 1848 O ILE B 55 -2.130 9.578 6.762 1.00 0.00 O ATOM 1849 CB ILE B 55 -1.832 8.054 3.996 1.00 0.00 C ATOM 1850 CG1 ILE B 55 -3.313 8.057 4.378 1.00 0.00 C ATOM 1851 CG2 ILE B 55 -1.489 6.805 3.231 1.00 0.00 C ATOM 1852 CD1 ILE B 55 -4.233 8.233 3.200 1.00 0.00 C ATOM 0 H ILE B 55 -2.030 7.105 6.724 1.00 0.00 H new ATOM 0 HA ILE B 55 0.105 8.129 5.036 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.635 8.915 3.357 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.553 7.120 4.880 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.494 8.858 5.094 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.114 6.740 2.341 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.440 6.835 2.936 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.664 5.933 3.861 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -5.268 8.226 3.542 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.019 9.183 2.710 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.079 7.418 2.493 1.00 0.00 H new ATOM 1864 N SER B 56 -0.645 10.534 5.372 1.00 0.00 N ATOM 1865 CA SER B 56 -0.904 11.896 5.796 1.00 0.00 C ATOM 1866 C SER B 56 -2.085 12.424 4.986 1.00 0.00 C ATOM 1867 O SER B 56 -1.937 12.764 3.814 1.00 0.00 O ATOM 1868 CB SER B 56 0.334 12.744 5.553 1.00 0.00 C ATOM 1869 OG SER B 56 1.506 11.994 5.810 1.00 0.00 O ATOM 0 H SER B 56 0.080 10.452 4.659 1.00 0.00 H new ATOM 0 HA SER B 56 -1.141 11.935 6.859 1.00 0.00 H new ATOM 0 HB2 SER B 56 0.342 13.100 4.523 1.00 0.00 H new ATOM 0 HB3 SER B 56 0.311 13.625 6.195 1.00 0.00 H new ATOM 0 HG SER B 56 1.291 11.245 6.404 1.00 0.00 H new ATOM 1875 N PRO B 57 -3.269 12.467 5.592 1.00 0.00 N ATOM 1876 CA PRO B 57 -4.504 12.887 4.933 1.00 0.00 C ATOM 1877 C PRO B 57 -4.659 14.404 4.831 1.00 0.00 C ATOM 1878 O PRO B 57 -3.825 15.160 5.338 1.00 0.00 O ATOM 1879 CB PRO B 57 -5.593 12.305 5.840 1.00 0.00 C ATOM 1880 CG PRO B 57 -4.863 11.473 6.831 1.00 0.00 C ATOM 1881 CD PRO B 57 -3.533 12.115 6.976 1.00 0.00 C ATOM 0 HA PRO B 57 -4.539 12.543 3.899 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -6.162 13.095 6.330 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.304 11.707 5.270 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -5.391 11.442 7.784 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -4.767 10.443 6.486 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -3.560 12.987 7.630 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -2.784 11.435 7.383 1.00 0.00 H new ATOM 1889 N GLU B 58 -5.743 14.820 4.178 1.00 0.00 N ATOM 1890 CA GLU B 58 -6.082 16.229 3.991 1.00 0.00 C ATOM 1891 C GLU B 58 -4.897 17.067 3.502 1.00 0.00 C ATOM 1892 O GLU B 58 -4.246 16.728 2.513 1.00 0.00 O ATOM 1893 CB GLU B 58 -6.660 16.802 5.293 1.00 0.00 C ATOM 1894 CG GLU B 58 -7.844 16.010 5.827 1.00 0.00 C ATOM 1895 CD GLU B 58 -8.820 15.621 4.734 1.00 0.00 C ATOM 1896 OE1 GLU B 58 -9.734 16.418 4.446 1.00 0.00 O ATOM 1897 OE2 GLU B 58 -8.659 14.523 4.156 1.00 0.00 O ATOM 0 H GLU B 58 -6.418 14.180 3.759 1.00 0.00 H new ATOM 0 HA GLU B 58 -6.835 16.282 3.205 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.877 16.826 6.050 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -6.969 17.833 5.122 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.481 15.110 6.323 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.364 16.602 6.580 1.00 0.00 H new ATOM 1904 N GLY B 59 -4.622 18.159 4.202 1.00 0.00 N ATOM 1905 CA GLY B 59 -3.536 19.039 3.820 1.00 0.00 C ATOM 1906 C GLY B 59 -2.375 18.966 4.783 1.00 0.00 C ATOM 1907 O GLY B 59 -2.073 19.929 5.486 1.00 0.00 O ATOM 0 H GLY B 59 -5.136 18.452 5.033 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -3.193 18.776 2.819 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -3.902 20.065 3.772 1.00 0.00 H new ATOM 1911 N LYS B 60 -1.733 17.814 4.824 1.00 0.00 N ATOM 1912 CA LYS B 60 -0.598 17.604 5.705 1.00 0.00 C ATOM 1913 C LYS B 60 0.693 18.103 5.070 1.00 0.00 C ATOM 1914 O LYS B 60 0.967 17.826 3.903 1.00 0.00 O ATOM 1915 CB LYS B 60 -0.467 16.126 6.046 1.00 0.00 C ATOM 1916 CG LYS B 60 -1.247 15.730 7.277 1.00 0.00 C ATOM 1917 CD LYS B 60 -0.423 14.820 8.156 1.00 0.00 C ATOM 1918 CE LYS B 60 0.622 15.590 8.943 1.00 0.00 C ATOM 1919 NZ LYS B 60 0.046 16.308 10.116 1.00 0.00 N ATOM 0 H LYS B 60 -1.979 17.005 4.254 1.00 0.00 H new ATOM 0 HA LYS B 60 -0.772 18.173 6.618 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -0.811 15.532 5.199 1.00 0.00 H new ATOM 0 HB3 LYS B 60 0.585 15.886 6.197 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -1.534 16.621 7.835 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -2.168 15.226 6.984 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -1.079 14.289 8.846 1.00 0.00 H new ATOM 0 HD3 LYS B 60 0.068 14.067 7.540 1.00 0.00 H new ATOM 0 HE2 LYS B 60 1.393 14.900 9.287 1.00 0.00 H new ATOM 0 HE3 LYS B 60 1.109 16.310 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.376 17.294 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.992 16.290 10.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.352 15.841 10.993 1.00 0.00 H new ATOM 1933 N ALA B 61 1.474 18.846 5.848 1.00 0.00 N ATOM 1934 CA ALA B 61 2.750 19.377 5.380 1.00 0.00 C ATOM 1935 C ALA B 61 3.739 18.244 5.151 1.00 0.00 C ATOM 1936 O ALA B 61 4.545 18.275 4.223 1.00 0.00 O ATOM 1937 CB ALA B 61 3.303 20.369 6.386 1.00 0.00 C ATOM 0 H ALA B 61 1.244 19.095 6.810 1.00 0.00 H new ATOM 0 HA ALA B 61 2.591 19.894 4.434 1.00 0.00 H new ATOM 0 HB1 ALA B 61 4.255 20.759 6.027 1.00 0.00 H new ATOM 0 HB2 ALA B 61 2.598 21.191 6.511 1.00 0.00 H new ATOM 0 HB3 ALA B 61 3.453 19.871 7.344 1.00 0.00 H new ATOM 1943 N LYS B 62 3.674 17.251 6.023 1.00 0.00 N ATOM 1944 CA LYS B 62 4.521 16.083 5.927 1.00 0.00 C ATOM 1945 C LYS B 62 3.804 15.033 5.105 1.00 0.00 C ATOM 1946 O LYS B 62 2.807 14.483 5.562 1.00 0.00 O ATOM 1947 CB LYS B 62 4.793 15.504 7.314 1.00 0.00 C ATOM 1948 CG LYS B 62 6.164 15.809 7.884 1.00 0.00 C ATOM 1949 CD LYS B 62 6.373 15.041 9.179 1.00 0.00 C ATOM 1950 CE LYS B 62 7.843 14.859 9.500 1.00 0.00 C ATOM 1951 NZ LYS B 62 8.097 13.590 10.226 1.00 0.00 N ATOM 0 H LYS B 62 3.032 17.236 6.815 1.00 0.00 H new ATOM 0 HA LYS B 62 5.466 16.367 5.464 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.038 15.884 8.003 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.668 14.422 7.269 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.935 15.538 7.163 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.261 16.879 8.067 1.00 0.00 H new ATOM 0 HD2 LYS B 62 5.886 15.571 9.998 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.895 14.064 9.103 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.421 14.871 8.576 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.190 15.698 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.102 13.534 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.514 13.560 11.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.853 12.785 9.614 1.00 0.00 H new ATOM 1965 N ILE B 63 4.273 14.760 3.905 1.00 0.00 N ATOM 1966 CA ILE B 63 3.632 13.760 3.085 1.00 0.00 C ATOM 1967 C ILE B 63 4.306 12.419 3.337 1.00 0.00 C ATOM 1968 O ILE B 63 5.224 12.036 2.630 1.00 0.00 O ATOM 1969 CB ILE B 63 3.696 14.131 1.594 1.00 0.00 C ATOM 1970 CG1 ILE B 63 2.915 15.422 1.346 1.00 0.00 C ATOM 1971 CG2 ILE B 63 3.126 13.009 0.742 1.00 0.00 C ATOM 1972 CD1 ILE B 63 3.716 16.692 1.499 1.00 0.00 C ATOM 0 H ILE B 63 5.085 15.211 3.482 1.00 0.00 H new ATOM 0 HA ILE B 63 2.577 13.700 3.353 1.00 0.00 H new ATOM 0 HB ILE B 63 4.739 14.283 1.316 1.00 0.00 H new ATOM 0 HG12 ILE B 63 2.501 15.391 0.338 1.00 0.00 H new ATOM 0 HG13 ILE B 63 2.072 15.457 2.036 1.00 0.00 H new ATOM 0 HG21 ILE B 63 3.179 13.288 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE B 63 3.703 12.099 0.905 1.00 0.00 H new ATOM 0 HG23 ILE B 63 2.086 12.834 1.019 1.00 0.00 H new ATOM 0 HD11 ILE B 63 3.075 17.552 1.303 1.00 0.00 H new ATOM 0 HD12 ILE B 63 4.108 16.755 2.514 1.00 0.00 H new ATOM 0 HD13 ILE B 63 4.544 16.688 0.790 1.00 0.00 H new ATOM 1984 N GLN B 64 3.869 11.706 4.361 1.00 0.00 N ATOM 1985 CA GLN B 64 4.495 10.436 4.686 1.00 0.00 C ATOM 1986 C GLN B 64 3.518 9.267 4.597 1.00 0.00 C ATOM 1987 O GLN B 64 2.317 9.406 4.835 1.00 0.00 O ATOM 1988 CB GLN B 64 5.141 10.474 6.078 1.00 0.00 C ATOM 1989 CG GLN B 64 5.325 11.870 6.654 1.00 0.00 C ATOM 1990 CD GLN B 64 5.951 11.859 8.039 1.00 0.00 C ATOM 1991 OE1 GLN B 64 7.172 11.876 8.182 1.00 0.00 O ATOM 1992 NE2 GLN B 64 5.121 11.846 9.071 1.00 0.00 N ATOM 0 H GLN B 64 3.098 11.978 4.971 1.00 0.00 H new ATOM 0 HA GLN B 64 5.273 10.277 3.939 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.528 9.890 6.764 1.00 0.00 H new ATOM 0 HB3 GLN B 64 6.114 9.986 6.026 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.952 12.456 5.982 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.357 12.369 6.702 1.00 0.00 H new ATOM 0 HE21 GLN B 64 4.113 11.832 8.915 1.00 0.00 H new ATOM 0 HE22 GLN B 64 5.490 11.850 10.022 1.00 0.00 H new ATOM 2001 N LEU B 65 4.062 8.120 4.237 1.00 0.00 N ATOM 2002 CA LEU B 65 3.303 6.888 4.104 1.00 0.00 C ATOM 2003 C LEU B 65 3.921 5.822 5.002 1.00 0.00 C ATOM 2004 O LEU B 65 5.059 5.425 4.785 1.00 0.00 O ATOM 2005 CB LEU B 65 3.359 6.404 2.658 1.00 0.00 C ATOM 2006 CG LEU B 65 2.408 5.263 2.307 1.00 0.00 C ATOM 2007 CD1 LEU B 65 1.075 5.788 1.779 1.00 0.00 C ATOM 2008 CD2 LEU B 65 3.074 4.326 1.322 1.00 0.00 C ATOM 0 H LEU B 65 5.054 8.015 4.026 1.00 0.00 H new ATOM 0 HA LEU B 65 2.267 7.069 4.391 1.00 0.00 H new ATOM 0 HB2 LEU B 65 3.143 7.248 2.003 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.378 6.084 2.440 1.00 0.00 H new ATOM 0 HG LEU B 65 2.183 4.703 3.215 1.00 0.00 H new ATOM 0 HD11 LEU B 65 0.423 4.948 1.539 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.602 6.410 2.539 1.00 0.00 H new ATOM 0 HD13 LEU B 65 1.248 6.381 0.881 1.00 0.00 H new ATOM 0 HD21 LEU B 65 2.391 3.513 1.074 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.330 4.874 0.415 1.00 0.00 H new ATOM 0 HD23 LEU B 65 3.981 3.916 1.766 1.00 0.00 H new ATOM 2020 N GLN B 66 3.185 5.358 5.996 1.00 0.00 N ATOM 2021 CA GLN B 66 3.702 4.348 6.911 1.00 0.00 C ATOM 2022 C GLN B 66 3.177 2.960 6.565 1.00 0.00 C ATOM 2023 O GLN B 66 1.996 2.672 6.729 1.00 0.00 O ATOM 2024 CB GLN B 66 3.350 4.709 8.347 1.00 0.00 C ATOM 2025 CG GLN B 66 3.588 3.590 9.350 1.00 0.00 C ATOM 2026 CD GLN B 66 3.287 4.016 10.773 1.00 0.00 C ATOM 2027 OE1 GLN B 66 2.187 3.809 11.277 1.00 0.00 O ATOM 2028 NE2 GLN B 66 4.265 4.616 11.427 1.00 0.00 N ATOM 0 H GLN B 66 2.231 5.661 6.192 1.00 0.00 H new ATOM 0 HA GLN B 66 4.787 4.326 6.808 1.00 0.00 H new ATOM 0 HB2 GLN B 66 3.936 5.579 8.645 1.00 0.00 H new ATOM 0 HB3 GLN B 66 2.301 5.002 8.389 1.00 0.00 H new ATOM 0 HG2 GLN B 66 2.965 2.734 9.090 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.625 3.261 9.284 1.00 0.00 H new ATOM 0 HE21 GLN B 66 5.165 4.769 10.971 1.00 0.00 H new ATOM 0 HE22 GLN B 66 4.121 4.926 12.388 1.00 0.00 H new ATOM 2037 N LEU B 67 4.054 2.109 6.068 1.00 0.00 N ATOM 2038 CA LEU B 67 3.683 0.749 5.719 1.00 0.00 C ATOM 2039 C LEU B 67 3.686 -0.128 6.958 1.00 0.00 C ATOM 2040 O LEU B 67 4.735 -0.580 7.405 1.00 0.00 O ATOM 2041 CB LEU B 67 4.645 0.171 4.685 1.00 0.00 C ATOM 2042 CG LEU B 67 4.413 0.627 3.250 1.00 0.00 C ATOM 2043 CD1 LEU B 67 5.428 -0.024 2.332 1.00 0.00 C ATOM 2044 CD2 LEU B 67 2.996 0.293 2.807 1.00 0.00 C ATOM 0 H LEU B 67 5.033 2.336 5.896 1.00 0.00 H new ATOM 0 HA LEU B 67 2.681 0.772 5.291 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.663 0.436 4.972 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.577 -0.916 4.718 1.00 0.00 H new ATOM 0 HG LEU B 67 4.537 1.709 3.199 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.256 0.306 1.307 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.434 0.261 2.641 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.325 -1.108 2.386 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.848 0.626 1.780 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.841 -0.784 2.865 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.283 0.798 3.458 1.00 0.00 H new ATOM 2056 N VAL B 68 2.516 -0.349 7.515 1.00 0.00 N ATOM 2057 CA VAL B 68 2.383 -1.169 8.702 1.00 0.00 C ATOM 2058 C VAL B 68 2.405 -2.639 8.321 1.00 0.00 C ATOM 2059 O VAL B 68 1.437 -3.157 7.778 1.00 0.00 O ATOM 2060 CB VAL B 68 1.079 -0.857 9.453 1.00 0.00 C ATOM 2061 CG1 VAL B 68 1.075 -1.537 10.806 1.00 0.00 C ATOM 2062 CG2 VAL B 68 0.899 0.643 9.606 1.00 0.00 C ATOM 0 H VAL B 68 1.637 0.030 7.163 1.00 0.00 H new ATOM 0 HA VAL B 68 3.223 -0.944 9.360 1.00 0.00 H new ATOM 0 HB VAL B 68 0.242 -1.243 8.871 1.00 0.00 H new ATOM 0 HG11 VAL B 68 0.145 -1.307 11.326 1.00 0.00 H new ATOM 0 HG12 VAL B 68 1.158 -2.615 10.671 1.00 0.00 H new ATOM 0 HG13 VAL B 68 1.919 -1.179 11.396 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -0.029 0.845 10.140 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.738 1.055 10.167 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.859 1.107 8.621 1.00 0.00 H new ATOM 2072 N LEU B 69 3.508 -3.307 8.601 1.00 0.00 N ATOM 2073 CA LEU B 69 3.644 -4.712 8.256 1.00 0.00 C ATOM 2074 C LEU B 69 3.114 -5.609 9.368 1.00 0.00 C ATOM 2075 O LEU B 69 3.016 -5.191 10.522 1.00 0.00 O ATOM 2076 CB LEU B 69 5.101 -5.056 7.976 1.00 0.00 C ATOM 2077 CG LEU B 69 5.948 -3.916 7.414 1.00 0.00 C ATOM 2078 CD1 LEU B 69 7.414 -4.254 7.526 1.00 0.00 C ATOM 2079 CD2 LEU B 69 5.595 -3.635 5.968 1.00 0.00 C ATOM 0 H LEU B 69 4.321 -2.902 9.065 1.00 0.00 H new ATOM 0 HA LEU B 69 3.053 -4.887 7.357 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.559 -5.403 8.902 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.131 -5.889 7.273 1.00 0.00 H new ATOM 0 HG LEU B 69 5.738 -3.020 7.999 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.008 -3.434 7.122 1.00 0.00 H new ATOM 0 HD12 LEU B 69 7.673 -4.408 8.574 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.622 -5.164 6.963 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.214 -2.819 5.594 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.773 -4.529 5.370 1.00 0.00 H new ATOM 0 HD23 LEU B 69 4.544 -3.355 5.898 1.00 0.00 H new ATOM 2091 N HIS B 70 2.793 -6.848 9.009 1.00 0.00 N ATOM 2092 CA HIS B 70 2.278 -7.833 9.961 1.00 0.00 C ATOM 2093 C HIS B 70 3.352 -8.214 10.969 1.00 0.00 C ATOM 2094 O HIS B 70 3.054 -8.665 12.071 1.00 0.00 O ATOM 2095 CB HIS B 70 1.817 -9.105 9.237 1.00 0.00 C ATOM 2096 CG HIS B 70 0.516 -8.972 8.511 1.00 0.00 C ATOM 2097 ND1 HIS B 70 -0.693 -8.743 9.132 1.00 0.00 N ATOM 2098 CD2 HIS B 70 0.250 -9.036 7.183 1.00 0.00 C ATOM 2099 CE1 HIS B 70 -1.636 -8.670 8.188 1.00 0.00 C ATOM 2100 NE2 HIS B 70 -1.117 -8.845 6.985 1.00 0.00 N ATOM 0 H HIS B 70 2.881 -7.199 8.055 1.00 0.00 H new ATOM 0 HA HIS B 70 1.431 -7.379 10.475 1.00 0.00 H new ATOM 0 HB2 HIS B 70 2.587 -9.401 8.524 1.00 0.00 H new ATOM 0 HB3 HIS B 70 1.731 -9.911 9.966 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -0.842 -8.646 10.136 1.00 0.00 H new ATOM 0 HD2 HIS B 70 0.979 -9.207 6.405 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -2.683 -8.492 8.382 1.00 0.00 H new ATOM 2108 N ALA B 71 4.605 -8.028 10.572 1.00 0.00 N ATOM 2109 CA ALA B 71 5.744 -8.366 11.416 1.00 0.00 C ATOM 2110 C ALA B 71 5.813 -7.502 12.670 1.00 0.00 C ATOM 2111 O ALA B 71 6.359 -7.923 13.687 1.00 0.00 O ATOM 2112 CB ALA B 71 7.033 -8.239 10.620 1.00 0.00 C ATOM 0 H ALA B 71 4.859 -7.642 9.663 1.00 0.00 H new ATOM 0 HA ALA B 71 5.614 -9.397 11.743 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.880 -8.493 11.257 1.00 0.00 H new ATOM 0 HB2 ALA B 71 7.003 -8.918 9.768 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.141 -7.215 10.264 1.00 0.00 H new ATOM 2118 N GLY B 72 5.266 -6.296 12.601 1.00 0.00 N ATOM 2119 CA GLY B 72 5.311 -5.416 13.744 1.00 0.00 C ATOM 2120 C GLY B 72 6.297 -4.317 13.485 1.00 0.00 C ATOM 2121 O GLY B 72 6.964 -3.819 14.389 1.00 0.00 O ATOM 0 H GLY B 72 4.796 -5.916 11.779 1.00 0.00 H new ATOM 0 HA2 GLY B 72 4.323 -4.996 13.933 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.597 -5.974 14.636 1.00 0.00 H new ATOM 2125 N ASP B 73 6.361 -3.947 12.222 1.00 0.00 N ATOM 2126 CA ASP B 73 7.252 -2.929 11.747 1.00 0.00 C ATOM 2127 C ASP B 73 6.444 -2.029 10.867 1.00 0.00 C ATOM 2128 O ASP B 73 5.448 -2.461 10.282 1.00 0.00 O ATOM 2129 CB ASP B 73 8.407 -3.531 10.943 1.00 0.00 C ATOM 2130 CG ASP B 73 9.477 -2.506 10.614 1.00 0.00 C ATOM 2131 OD1 ASP B 73 9.523 -1.453 11.288 1.00 0.00 O ATOM 2132 OD2 ASP B 73 10.266 -2.751 9.678 1.00 0.00 O ATOM 0 H ASP B 73 5.781 -4.358 11.490 1.00 0.00 H new ATOM 0 HA ASP B 73 7.689 -2.390 12.588 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.853 -4.349 11.509 1.00 0.00 H new ATOM 0 HB3 ASP B 73 8.019 -3.957 10.018 1.00 0.00 H new ATOM 2137 N THR B 74 6.840 -0.802 10.775 1.00 0.00 N ATOM 2138 CA THR B 74 6.120 0.135 9.965 1.00 0.00 C ATOM 2139 C THR B 74 7.099 0.998 9.165 1.00 0.00 C ATOM 2140 O THR B 74 7.918 1.719 9.737 1.00 0.00 O ATOM 2141 CB THR B 74 5.215 1.011 10.839 1.00 0.00 C ATOM 2142 OG1 THR B 74 5.963 1.570 11.925 1.00 0.00 O ATOM 2143 CG2 THR B 74 4.039 0.214 11.385 1.00 0.00 C ATOM 0 H THR B 74 7.659 -0.421 11.250 1.00 0.00 H new ATOM 0 HA THR B 74 5.490 -0.414 9.265 1.00 0.00 H new ATOM 0 HB THR B 74 4.827 1.816 10.215 1.00 0.00 H new ATOM 0 HG1 THR B 74 6.859 1.816 11.613 1.00 0.00 H new ATOM 0 HG21 THR B 74 3.415 0.862 12.001 1.00 0.00 H new ATOM 0 HG22 THR B 74 3.449 -0.177 10.556 1.00 0.00 H new ATOM 0 HG23 THR B 74 4.410 -0.614 11.989 1.00 0.00 H new ATOM 2151 N THR B 75 7.004 0.921 7.849 1.00 0.00 N ATOM 2152 CA THR B 75 7.884 1.667 6.961 1.00 0.00 C ATOM 2153 C THR B 75 7.310 3.037 6.613 1.00 0.00 C ATOM 2154 O THR B 75 6.462 3.147 5.733 1.00 0.00 O ATOM 2155 CB THR B 75 8.103 0.880 5.662 1.00 0.00 C ATOM 2156 OG1 THR B 75 7.984 -0.527 5.920 1.00 0.00 O ATOM 2157 CG2 THR B 75 9.463 1.185 5.067 1.00 0.00 C ATOM 0 H THR B 75 6.318 0.342 7.365 1.00 0.00 H new ATOM 0 HA THR B 75 8.829 1.811 7.485 1.00 0.00 H new ATOM 0 HB THR B 75 7.341 1.182 4.943 1.00 0.00 H new ATOM 0 HG1 THR B 75 7.502 -0.955 5.182 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.594 0.615 4.147 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.533 2.250 4.847 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.241 0.910 5.778 1.00 0.00 H new ATOM 2165 N ASN B 76 7.775 4.080 7.290 1.00 0.00 N ATOM 2166 CA ASN B 76 7.274 5.427 7.031 1.00 0.00 C ATOM 2167 C ASN B 76 8.135 6.118 5.975 1.00 0.00 C ATOM 2168 O ASN B 76 9.317 6.379 6.199 1.00 0.00 O ATOM 2169 CB ASN B 76 7.258 6.286 8.310 1.00 0.00 C ATOM 2170 CG ASN B 76 7.073 5.488 9.590 1.00 0.00 C ATOM 2171 OD1 ASN B 76 6.401 4.462 9.617 1.00 0.00 O ATOM 2172 ND2 ASN B 76 7.675 5.961 10.669 1.00 0.00 N ATOM 0 H ASN B 76 8.490 4.022 8.015 1.00 0.00 H new ATOM 0 HA ASN B 76 6.250 5.327 6.670 1.00 0.00 H new ATOM 0 HB2 ASN B 76 8.193 6.842 8.373 1.00 0.00 H new ATOM 0 HB3 ASN B 76 6.455 7.019 8.232 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.588 5.469 11.558 1.00 0.00 H new ATOM 0 HD22 ASN B 76 8.226 6.817 10.611 1.00 0.00 H new ATOM 2179 N PHE B 77 7.546 6.379 4.817 1.00 0.00 N ATOM 2180 CA PHE B 77 8.242 7.054 3.726 1.00 0.00 C ATOM 2181 C PHE B 77 7.808 8.511 3.661 1.00 0.00 C ATOM 2182 O PHE B 77 6.618 8.800 3.701 1.00 0.00 O ATOM 2183 CB PHE B 77 7.943 6.367 2.394 1.00 0.00 C ATOM 2184 CG PHE B 77 8.571 5.011 2.261 1.00 0.00 C ATOM 2185 CD1 PHE B 77 9.921 4.835 2.508 1.00 0.00 C ATOM 2186 CD2 PHE B 77 7.812 3.917 1.884 1.00 0.00 C ATOM 2187 CE1 PHE B 77 10.503 3.592 2.382 1.00 0.00 C ATOM 2188 CE2 PHE B 77 8.390 2.670 1.754 1.00 0.00 C ATOM 2189 CZ PHE B 77 9.739 2.507 2.003 1.00 0.00 C ATOM 0 H PHE B 77 6.579 6.132 4.606 1.00 0.00 H new ATOM 0 HA PHE B 77 9.315 7.003 3.913 1.00 0.00 H new ATOM 0 HB2 PHE B 77 6.863 6.271 2.279 1.00 0.00 H new ATOM 0 HB3 PHE B 77 8.295 7.002 1.581 1.00 0.00 H new ATOM 0 HD1 PHE B 77 10.525 5.680 2.803 1.00 0.00 H new ATOM 0 HD2 PHE B 77 6.757 4.040 1.690 1.00 0.00 H new ATOM 0 HE1 PHE B 77 11.557 3.467 2.580 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.788 1.823 1.458 1.00 0.00 H new ATOM 0 HZ PHE B 77 10.195 1.533 1.901 1.00 0.00 H new ATOM 2199 N HIS B 78 8.761 9.418 3.533 1.00 0.00 N ATOM 2200 CA HIS B 78 8.460 10.845 3.490 1.00 0.00 C ATOM 2201 C HIS B 78 8.593 11.380 2.065 1.00 0.00 C ATOM 2202 O HIS B 78 9.692 11.514 1.536 1.00 0.00 O ATOM 2203 CB HIS B 78 9.399 11.596 4.437 1.00 0.00 C ATOM 2204 CG HIS B 78 9.058 13.042 4.637 1.00 0.00 C ATOM 2205 ND1 HIS B 78 9.997 14.008 4.915 1.00 0.00 N ATOM 2206 CD2 HIS B 78 7.859 13.687 4.600 1.00 0.00 C ATOM 2207 CE1 HIS B 78 9.364 15.179 5.032 1.00 0.00 C ATOM 2208 NE2 HIS B 78 8.065 15.041 4.849 1.00 0.00 N ATOM 0 H HIS B 78 9.753 9.194 3.457 1.00 0.00 H new ATOM 0 HA HIS B 78 7.431 11.001 3.813 1.00 0.00 H new ATOM 0 HB2 HIS B 78 9.392 11.097 5.406 1.00 0.00 H new ATOM 0 HB3 HIS B 78 10.416 11.526 4.050 1.00 0.00 H new ATOM 0 HD1 HIS B 78 11.001 13.857 5.014 1.00 0.00 H new ATOM 0 HD2 HIS B 78 6.903 13.223 4.408 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.853 16.117 5.248 1.00 0.00 H new ATOM 2216 N PHE B 79 7.467 11.690 1.457 1.00 0.00 N ATOM 2217 CA PHE B 79 7.443 12.203 0.099 1.00 0.00 C ATOM 2218 C PHE B 79 7.571 13.715 0.115 1.00 0.00 C ATOM 2219 O PHE B 79 6.665 14.425 0.541 1.00 0.00 O ATOM 2220 CB PHE B 79 6.150 11.801 -0.613 1.00 0.00 C ATOM 2221 CG PHE B 79 5.976 10.320 -0.775 1.00 0.00 C ATOM 2222 CD1 PHE B 79 5.628 9.526 0.306 1.00 0.00 C ATOM 2223 CD2 PHE B 79 6.149 9.724 -2.011 1.00 0.00 C ATOM 2224 CE1 PHE B 79 5.457 8.166 0.156 1.00 0.00 C ATOM 2225 CE2 PHE B 79 5.978 8.364 -2.167 1.00 0.00 C ATOM 2226 CZ PHE B 79 5.632 7.585 -1.082 1.00 0.00 C ATOM 0 H PHE B 79 6.546 11.595 1.885 1.00 0.00 H new ATOM 0 HA PHE B 79 8.285 11.773 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.302 12.197 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.129 12.268 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.489 9.978 1.277 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.421 10.330 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE B 79 5.187 7.557 1.006 1.00 0.00 H new ATOM 0 HE2 PHE B 79 6.115 7.910 -3.137 1.00 0.00 H new ATOM 0 HZ PHE B 79 5.498 6.520 -1.203 1.00 0.00 H new ATOM 2236 N SER B 80 8.714 14.194 -0.316 1.00 0.00 N ATOM 2237 CA SER B 80 8.980 15.616 -0.357 1.00 0.00 C ATOM 2238 C SER B 80 9.360 16.066 -1.763 1.00 0.00 C ATOM 2239 O SER B 80 10.525 16.358 -2.039 1.00 0.00 O ATOM 2240 CB SER B 80 10.095 15.969 0.625 1.00 0.00 C ATOM 2241 OG SER B 80 10.019 15.163 1.788 1.00 0.00 O ATOM 0 H SER B 80 9.484 13.613 -0.647 1.00 0.00 H new ATOM 0 HA SER B 80 8.068 16.139 -0.069 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.064 15.832 0.145 1.00 0.00 H new ATOM 0 HB3 SER B 80 10.022 17.021 0.901 1.00 0.00 H new ATOM 0 HG SER B 80 9.233 15.420 2.313 1.00 0.00 H new ATOM 2247 N ASN B 81 8.391 16.066 -2.666 1.00 0.00 N ATOM 2248 CA ASN B 81 8.630 16.524 -4.023 1.00 0.00 C ATOM 2249 C ASN B 81 7.854 17.807 -4.266 1.00 0.00 C ATOM 2250 O ASN B 81 7.537 18.163 -5.400 1.00 0.00 O ATOM 2251 CB ASN B 81 8.256 15.461 -5.044 1.00 0.00 C ATOM 2252 CG ASN B 81 9.125 15.535 -6.284 1.00 0.00 C ATOM 2253 OD1 ASN B 81 10.088 16.306 -6.341 1.00 0.00 O ATOM 2254 ND2 ASN B 81 8.808 14.723 -7.270 1.00 0.00 N ATOM 0 H ASN B 81 7.437 15.755 -2.483 1.00 0.00 H new ATOM 0 HA ASN B 81 9.696 16.720 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN B 81 8.353 14.474 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN B 81 7.210 15.581 -5.326 1.00 0.00 H new ATOM 0 HD21 ASN B 81 9.367 14.715 -8.123 1.00 0.00 H new ATOM 0 HD22 ASN B 81 8.004 14.102 -7.181 1.00 0.00 H new ATOM 2261 N GLU B 82 7.559 18.482 -3.159 1.00 0.00 N ATOM 2262 CA GLU B 82 6.849 19.758 -3.151 1.00 0.00 C ATOM 2263 C GLU B 82 5.513 19.704 -3.900 1.00 0.00 C ATOM 2264 O GLU B 82 4.482 19.340 -3.333 1.00 0.00 O ATOM 2265 CB GLU B 82 7.741 20.865 -3.736 1.00 0.00 C ATOM 2266 CG GLU B 82 9.023 21.121 -2.947 1.00 0.00 C ATOM 2267 CD GLU B 82 10.092 20.069 -3.190 1.00 0.00 C ATOM 2268 OE1 GLU B 82 10.726 20.089 -4.267 1.00 0.00 O ATOM 2269 OE2 GLU B 82 10.293 19.204 -2.312 1.00 0.00 O ATOM 0 H GLU B 82 7.810 18.153 -2.227 1.00 0.00 H new ATOM 0 HA GLU B 82 6.617 19.983 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU B 82 8.005 20.600 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU B 82 7.167 21.790 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU B 82 9.418 22.101 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU B 82 8.788 21.153 -1.883 1.00 0.00 H new ATOM 2276 N SER B 83 5.559 20.041 -5.181 1.00 0.00 N ATOM 2277 CA SER B 83 4.384 20.100 -6.038 1.00 0.00 C ATOM 2278 C SER B 83 3.594 18.788 -6.109 1.00 0.00 C ATOM 2279 O SER B 83 2.370 18.811 -6.291 1.00 0.00 O ATOM 2280 CB SER B 83 4.818 20.511 -7.443 1.00 0.00 C ATOM 2281 OG SER B 83 5.859 21.473 -7.386 1.00 0.00 O ATOM 0 H SER B 83 6.426 20.284 -5.661 1.00 0.00 H new ATOM 0 HA SER B 83 3.710 20.834 -5.596 1.00 0.00 H new ATOM 0 HB2 SER B 83 5.156 19.634 -7.995 1.00 0.00 H new ATOM 0 HB3 SER B 83 3.967 20.921 -7.986 1.00 0.00 H new ATOM 0 HG SER B 83 6.124 21.722 -8.296 1.00 0.00 H new ATOM 2287 N THR B 84 4.257 17.648 -5.978 1.00 0.00 N ATOM 2288 CA THR B 84 3.553 16.378 -6.078 1.00 0.00 C ATOM 2289 C THR B 84 3.686 15.503 -4.850 1.00 0.00 C ATOM 2290 O THR B 84 3.113 14.420 -4.830 1.00 0.00 O ATOM 2291 CB THR B 84 4.058 15.568 -7.266 1.00 0.00 C ATOM 2292 OG1 THR B 84 5.480 15.705 -7.369 1.00 0.00 O ATOM 2293 CG2 THR B 84 3.413 16.032 -8.550 1.00 0.00 C ATOM 0 H THR B 84 5.260 17.575 -5.806 1.00 0.00 H new ATOM 0 HA THR B 84 2.505 16.653 -6.195 1.00 0.00 H new ATOM 0 HB THR B 84 3.796 14.522 -7.106 1.00 0.00 H new ATOM 0 HG1 THR B 84 5.892 14.817 -7.415 1.00 0.00 H new ATOM 0 HG21 THR B 84 3.791 15.438 -9.382 1.00 0.00 H new ATOM 0 HG22 THR B 84 2.332 15.911 -8.479 1.00 0.00 H new ATOM 0 HG23 THR B 84 3.650 17.083 -8.717 1.00 0.00 H new ATOM 2301 N ALA B 85 4.406 15.980 -3.837 1.00 0.00 N ATOM 2302 CA ALA B 85 4.640 15.215 -2.610 1.00 0.00 C ATOM 2303 C ALA B 85 3.412 14.395 -2.200 1.00 0.00 C ATOM 2304 O ALA B 85 3.436 13.163 -2.231 1.00 0.00 O ATOM 2305 CB ALA B 85 5.062 16.157 -1.499 1.00 0.00 C ATOM 0 H ALA B 85 4.842 16.902 -3.841 1.00 0.00 H new ATOM 0 HA ALA B 85 5.441 14.501 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA B 85 5.236 15.588 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA B 85 5.979 16.671 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA B 85 4.274 16.890 -1.325 1.00 0.00 H new ATOM 2311 N VAL B 86 2.342 15.089 -1.824 1.00 0.00 N ATOM 2312 CA VAL B 86 1.078 14.453 -1.438 1.00 0.00 C ATOM 2313 C VAL B 86 0.573 13.447 -2.476 1.00 0.00 C ATOM 2314 O VAL B 86 0.324 12.289 -2.142 1.00 0.00 O ATOM 2315 CB VAL B 86 0.003 15.535 -1.174 1.00 0.00 C ATOM 2316 CG1 VAL B 86 -1.382 15.049 -1.568 1.00 0.00 C ATOM 2317 CG2 VAL B 86 -0.013 15.940 0.289 1.00 0.00 C ATOM 0 H VAL B 86 2.322 16.108 -1.777 1.00 0.00 H new ATOM 0 HA VAL B 86 1.271 13.889 -0.525 1.00 0.00 H new ATOM 0 HB VAL B 86 0.264 16.398 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -2.113 15.833 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -1.393 14.803 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -1.635 14.162 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -0.777 16.701 0.447 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -0.235 15.069 0.905 1.00 0.00 H new ATOM 0 HG23 VAL B 86 0.962 16.341 0.566 1.00 0.00 H new ATOM 2327 N LYS B 87 0.459 13.880 -3.724 1.00 0.00 N ATOM 2328 CA LYS B 87 -0.050 13.027 -4.797 1.00 0.00 C ATOM 2329 C LYS B 87 0.800 11.774 -4.971 1.00 0.00 C ATOM 2330 O LYS B 87 0.275 10.713 -5.274 1.00 0.00 O ATOM 2331 CB LYS B 87 -0.099 13.815 -6.110 1.00 0.00 C ATOM 2332 CG LYS B 87 -0.831 15.144 -5.994 1.00 0.00 C ATOM 2333 CD LYS B 87 -0.254 16.184 -6.943 1.00 0.00 C ATOM 2334 CE LYS B 87 -0.876 17.554 -6.714 1.00 0.00 C ATOM 2335 NZ LYS B 87 -0.103 18.637 -7.385 1.00 0.00 N ATOM 0 H LYS B 87 0.713 14.822 -4.023 1.00 0.00 H new ATOM 0 HA LYS B 87 -1.056 12.710 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS B 87 0.919 13.999 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -0.586 13.206 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -1.889 14.998 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -0.765 15.509 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS B 87 0.825 16.246 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -0.426 15.873 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -1.900 17.554 -7.088 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -0.927 17.755 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -0.433 19.562 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 0.908 18.528 -7.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -0.244 18.578 -8.414 1.00 0.00 H new ATOM 2349 N GLU B 88 2.102 11.901 -4.774 1.00 0.00 N ATOM 2350 CA GLU B 88 3.004 10.768 -4.901 1.00 0.00 C ATOM 2351 C GLU B 88 2.717 9.738 -3.820 1.00 0.00 C ATOM 2352 O GLU B 88 2.569 8.549 -4.104 1.00 0.00 O ATOM 2353 CB GLU B 88 4.448 11.238 -4.820 1.00 0.00 C ATOM 2354 CG GLU B 88 4.916 11.925 -6.085 1.00 0.00 C ATOM 2355 CD GLU B 88 6.052 12.882 -5.831 1.00 0.00 C ATOM 2356 OE1 GLU B 88 6.381 13.122 -4.650 1.00 0.00 O ATOM 2357 OE2 GLU B 88 6.606 13.412 -6.815 1.00 0.00 O ATOM 0 H GLU B 88 2.558 12.779 -4.525 1.00 0.00 H new ATOM 0 HA GLU B 88 2.844 10.299 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU B 88 4.555 11.924 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU B 88 5.092 10.383 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU B 88 5.232 11.173 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU B 88 4.082 12.466 -6.532 1.00 0.00 H new ATOM 2364 N ARG B 89 2.627 10.204 -2.580 1.00 0.00 N ATOM 2365 CA ARG B 89 2.322 9.328 -1.458 1.00 0.00 C ATOM 2366 C ARG B 89 0.956 8.706 -1.664 1.00 0.00 C ATOM 2367 O ARG B 89 0.770 7.506 -1.481 1.00 0.00 O ATOM 2368 CB ARG B 89 2.333 10.111 -0.153 1.00 0.00 C ATOM 2369 CG ARG B 89 1.830 9.334 1.049 1.00 0.00 C ATOM 2370 CD ARG B 89 1.271 10.270 2.110 1.00 0.00 C ATOM 2371 NE ARG B 89 -0.185 10.187 2.204 1.00 0.00 N ATOM 2372 CZ ARG B 89 -1.024 10.885 1.439 1.00 0.00 C ATOM 2373 NH1 ARG B 89 -0.562 11.749 0.549 1.00 0.00 N ATOM 2374 NH2 ARG B 89 -2.333 10.732 1.572 1.00 0.00 N ATOM 0 H ARG B 89 2.761 11.183 -2.327 1.00 0.00 H new ATOM 0 HA ARG B 89 3.080 8.547 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG B 89 3.351 10.446 0.047 1.00 0.00 H new ATOM 0 HB3 ARG B 89 1.721 11.005 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG B 89 1.057 8.632 0.735 1.00 0.00 H new ATOM 0 HG3 ARG B 89 2.644 8.744 1.472 1.00 0.00 H new ATOM 0 HD2 ARG B 89 1.711 10.025 3.077 1.00 0.00 H new ATOM 0 HD3 ARG B 89 1.561 11.295 1.878 1.00 0.00 H new ATOM 0 HE ARG B 89 -0.584 9.555 2.898 1.00 0.00 H new ATOM 0 HH11 ARG B 89 0.443 11.885 0.444 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -1.211 12.279 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.703 10.078 2.262 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.971 11.268 0.984 1.00 0.00 H new ATOM 2388 N ASP B 90 0.007 9.546 -2.053 1.00 0.00 N ATOM 2389 CA ASP B 90 -1.352 9.110 -2.315 1.00 0.00 C ATOM 2390 C ASP B 90 -1.398 8.088 -3.433 1.00 0.00 C ATOM 2391 O ASP B 90 -2.152 7.125 -3.370 1.00 0.00 O ATOM 2392 CB ASP B 90 -2.247 10.307 -2.652 1.00 0.00 C ATOM 2393 CG ASP B 90 -2.937 10.853 -1.425 1.00 0.00 C ATOM 2394 OD1 ASP B 90 -3.741 10.105 -0.820 1.00 0.00 O ATOM 2395 OD2 ASP B 90 -2.661 12.007 -1.039 1.00 0.00 O ATOM 0 H ASP B 90 0.159 10.545 -2.195 1.00 0.00 H new ATOM 0 HA ASP B 90 -1.728 8.635 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -1.646 11.092 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -2.995 10.007 -3.386 1.00 0.00 H new ATOM 2400 N ALA B 91 -0.550 8.284 -4.417 1.00 0.00 N ATOM 2401 CA ALA B 91 -0.484 7.391 -5.573 1.00 0.00 C ATOM 2402 C ALA B 91 0.073 6.049 -5.171 1.00 0.00 C ATOM 2403 O ALA B 91 -0.481 4.997 -5.493 1.00 0.00 O ATOM 2404 CB ALA B 91 0.400 7.989 -6.645 1.00 0.00 C ATOM 0 H ALA B 91 0.113 9.059 -4.448 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.495 7.262 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA B 91 0.441 7.315 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.008 8.950 -6.959 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.405 8.134 -6.249 1.00 0.00 H new ATOM 2410 N VAL B 92 1.190 6.112 -4.480 1.00 0.00 N ATOM 2411 CA VAL B 92 1.862 4.938 -3.987 1.00 0.00 C ATOM 2412 C VAL B 92 0.900 4.157 -3.115 1.00 0.00 C ATOM 2413 O VAL B 92 0.755 2.950 -3.244 1.00 0.00 O ATOM 2414 CB VAL B 92 3.093 5.375 -3.187 1.00 0.00 C ATOM 2415 CG1 VAL B 92 3.496 4.352 -2.150 1.00 0.00 C ATOM 2416 CG2 VAL B 92 4.248 5.670 -4.119 1.00 0.00 C ATOM 0 H VAL B 92 1.658 6.987 -4.245 1.00 0.00 H new ATOM 0 HA VAL B 92 2.187 4.301 -4.810 1.00 0.00 H new ATOM 0 HB VAL B 92 2.825 6.285 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.373 4.708 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.675 4.201 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL B 92 3.731 3.408 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.116 5.979 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.494 4.774 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.967 6.470 -4.804 1.00 0.00 H new ATOM 2426 N LYS B 93 0.212 4.900 -2.267 1.00 0.00 N ATOM 2427 CA LYS B 93 -0.779 4.372 -1.356 1.00 0.00 C ATOM 2428 C LYS B 93 -1.903 3.715 -2.120 1.00 0.00 C ATOM 2429 O LYS B 93 -2.364 2.640 -1.749 1.00 0.00 O ATOM 2430 CB LYS B 93 -1.333 5.537 -0.556 1.00 0.00 C ATOM 2431 CG LYS B 93 -2.614 5.239 0.180 1.00 0.00 C ATOM 2432 CD LYS B 93 -3.264 6.526 0.627 1.00 0.00 C ATOM 2433 CE LYS B 93 -4.487 6.866 -0.187 1.00 0.00 C ATOM 2434 NZ LYS B 93 -4.153 7.481 -1.502 1.00 0.00 N ATOM 0 H LYS B 93 0.332 5.910 -2.193 1.00 0.00 H new ATOM 0 HA LYS B 93 -0.325 3.626 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -0.581 5.856 0.165 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.504 6.376 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.294 4.684 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -2.408 4.607 1.044 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.542 6.444 1.678 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.543 7.340 0.551 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.071 5.961 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.116 7.552 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -4.862 7.198 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -4.150 8.517 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -3.213 7.158 -1.807 1.00 0.00 H new ATOM 2448 N ASP B 94 -2.351 4.383 -3.172 1.00 0.00 N ATOM 2449 CA ASP B 94 -3.424 3.860 -3.991 1.00 0.00 C ATOM 2450 C ASP B 94 -3.043 2.500 -4.542 1.00 0.00 C ATOM 2451 O ASP B 94 -3.750 1.513 -4.344 1.00 0.00 O ATOM 2452 CB ASP B 94 -3.769 4.809 -5.134 1.00 0.00 C ATOM 2453 CG ASP B 94 -4.868 5.784 -4.753 1.00 0.00 C ATOM 2454 OD1 ASP B 94 -4.971 6.135 -3.553 1.00 0.00 O ATOM 2455 OD2 ASP B 94 -5.643 6.179 -5.643 1.00 0.00 O ATOM 0 H ASP B 94 -1.987 5.286 -3.475 1.00 0.00 H new ATOM 0 HA ASP B 94 -4.307 3.760 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -2.877 5.364 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -4.083 4.231 -6.003 1.00 0.00 H new ATOM 2460 N LEU B 95 -1.893 2.459 -5.207 1.00 0.00 N ATOM 2461 CA LEU B 95 -1.376 1.228 -5.787 1.00 0.00 C ATOM 2462 C LEU B 95 -1.128 0.193 -4.700 1.00 0.00 C ATOM 2463 O LEU B 95 -1.493 -0.971 -4.840 1.00 0.00 O ATOM 2464 CB LEU B 95 -0.087 1.514 -6.559 1.00 0.00 C ATOM 2465 CG LEU B 95 -0.157 1.244 -8.066 1.00 0.00 C ATOM 2466 CD1 LEU B 95 -1.486 1.718 -8.638 1.00 0.00 C ATOM 2467 CD2 LEU B 95 0.994 1.934 -8.776 1.00 0.00 C ATOM 0 H LEU B 95 -1.298 3.273 -5.358 1.00 0.00 H new ATOM 0 HA LEU B 95 -2.116 0.827 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU B 95 0.186 2.558 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU B 95 0.714 0.909 -6.134 1.00 0.00 H new ATOM 0 HG LEU B 95 -0.078 0.169 -8.226 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -1.514 1.516 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -2.303 1.188 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.594 2.789 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU B 95 0.933 1.735 -9.846 1.00 0.00 H new ATOM 0 HD22 LEU B 95 0.936 3.009 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU B 95 1.940 1.555 -8.389 1.00 0.00 H new ATOM 2479 N LEU B 96 -0.538 0.644 -3.608 1.00 0.00 N ATOM 2480 CA LEU B 96 -0.229 -0.210 -2.475 1.00 0.00 C ATOM 2481 C LEU B 96 -1.486 -0.860 -1.917 1.00 0.00 C ATOM 2482 O LEU B 96 -1.566 -2.080 -1.806 1.00 0.00 O ATOM 2483 CB LEU B 96 0.470 0.620 -1.404 1.00 0.00 C ATOM 2484 CG LEU B 96 1.976 0.744 -1.599 1.00 0.00 C ATOM 2485 CD1 LEU B 96 2.572 1.673 -0.564 1.00 0.00 C ATOM 2486 CD2 LEU B 96 2.642 -0.621 -1.550 1.00 0.00 C ATOM 0 H LEU B 96 -0.258 1.617 -3.481 1.00 0.00 H new ATOM 0 HA LEU B 96 0.432 -1.012 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU B 96 0.033 1.618 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU B 96 0.276 0.173 -0.429 1.00 0.00 H new ATOM 0 HG LEU B 96 2.159 1.171 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU B 96 3.648 1.749 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU B 96 2.121 2.661 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU B 96 2.377 1.280 0.434 1.00 0.00 H new ATOM 0 HD21 LEU B 96 3.717 -0.507 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU B 96 2.451 -1.085 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU B 96 2.237 -1.252 -2.341 1.00 0.00 H new ATOM 2498 N GLN B 97 -2.470 -0.033 -1.595 1.00 0.00 N ATOM 2499 CA GLN B 97 -3.736 -0.498 -1.054 1.00 0.00 C ATOM 2500 C GLN B 97 -4.441 -1.468 -2.010 1.00 0.00 C ATOM 2501 O GLN B 97 -4.958 -2.498 -1.588 1.00 0.00 O ATOM 2502 CB GLN B 97 -4.615 0.712 -0.729 1.00 0.00 C ATOM 2503 CG GLN B 97 -6.103 0.498 -0.877 1.00 0.00 C ATOM 2504 CD GLN B 97 -6.869 1.801 -0.798 1.00 0.00 C ATOM 2505 OE1 GLN B 97 -7.300 2.224 0.273 1.00 0.00 O ATOM 2506 NE2 GLN B 97 -7.020 2.463 -1.931 1.00 0.00 N ATOM 0 H GLN B 97 -2.412 0.980 -1.702 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.546 -1.057 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.411 1.021 0.296 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.319 1.538 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.307 0.014 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.453 -0.177 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.648 2.079 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.509 3.358 -1.937 1.00 0.00 H new ATOM 2515 N GLN B 98 -4.411 -1.152 -3.300 1.00 0.00 N ATOM 2516 CA GLN B 98 -5.074 -1.971 -4.320 1.00 0.00 C ATOM 2517 C GLN B 98 -4.364 -3.299 -4.580 1.00 0.00 C ATOM 2518 O GLN B 98 -5.011 -4.330 -4.757 1.00 0.00 O ATOM 2519 CB GLN B 98 -5.167 -1.198 -5.637 1.00 0.00 C ATOM 2520 CG GLN B 98 -6.159 -0.047 -5.611 1.00 0.00 C ATOM 2521 CD GLN B 98 -5.962 0.913 -6.770 1.00 0.00 C ATOM 2522 OE1 GLN B 98 -5.540 0.516 -7.855 1.00 0.00 O ATOM 2523 NE2 GLN B 98 -6.267 2.182 -6.548 1.00 0.00 N ATOM 0 H GLN B 98 -3.933 -0.331 -3.670 1.00 0.00 H new ATOM 0 HA GLN B 98 -6.067 -2.197 -3.931 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -4.181 -0.808 -5.888 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -5.448 -1.888 -6.432 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -7.173 -0.445 -5.641 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -6.057 0.496 -4.671 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -6.614 2.471 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -6.155 2.871 -7.292 1.00 0.00 H new ATOM 2532 N LEU B 99 -3.043 -3.273 -4.607 1.00 0.00 N ATOM 2533 CA LEU B 99 -2.259 -4.469 -4.899 1.00 0.00 C ATOM 2534 C LEU B 99 -2.008 -5.336 -3.672 1.00 0.00 C ATOM 2535 O LEU B 99 -1.510 -6.455 -3.793 1.00 0.00 O ATOM 2536 CB LEU B 99 -0.936 -4.061 -5.526 1.00 0.00 C ATOM 2537 CG LEU B 99 -1.047 -3.519 -6.945 1.00 0.00 C ATOM 2538 CD1 LEU B 99 0.046 -2.503 -7.197 1.00 0.00 C ATOM 2539 CD2 LEU B 99 -0.962 -4.657 -7.953 1.00 0.00 C ATOM 0 H LEU B 99 -2.486 -2.437 -4.430 1.00 0.00 H new ATOM 0 HA LEU B 99 -2.841 -5.076 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -0.469 -3.303 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.270 -4.924 -5.532 1.00 0.00 H new ATOM 0 HG LEU B 99 -2.013 -3.028 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -0.040 -2.120 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -0.053 -1.679 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU B 99 1.019 -2.976 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -1.043 -4.255 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -0.007 -5.171 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -1.775 -5.361 -7.776 1.00 0.00 H new ATOM 2551 N LEU B 100 -2.342 -4.829 -2.500 1.00 0.00 N ATOM 2552 CA LEU B 100 -2.148 -5.582 -1.268 1.00 0.00 C ATOM 2553 C LEU B 100 -2.924 -6.901 -1.270 1.00 0.00 C ATOM 2554 O LEU B 100 -2.332 -7.952 -1.051 1.00 0.00 O ATOM 2555 CB LEU B 100 -2.544 -4.754 -0.059 1.00 0.00 C ATOM 2556 CG LEU B 100 -1.428 -3.927 0.554 1.00 0.00 C ATOM 2557 CD1 LEU B 100 -2.001 -3.038 1.635 1.00 0.00 C ATOM 2558 CD2 LEU B 100 -0.336 -4.837 1.101 1.00 0.00 C ATOM 0 H LEU B 100 -2.748 -3.902 -2.372 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.086 -5.818 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -3.354 -4.084 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -2.940 -5.423 0.705 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.975 -3.295 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.202 -2.443 2.078 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.750 -2.375 1.202 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.464 -3.654 2.406 1.00 0.00 H new ATOM 0 HD21 LEU B 100 0.458 -4.231 1.538 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.756 -5.490 1.866 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.073 -5.442 0.292 1.00 0.00 H new ATOM 2570 N PRO B 101 -4.251 -6.885 -1.536 1.00 0.00 N ATOM 2571 CA PRO B 101 -5.073 -8.109 -1.556 1.00 0.00 C ATOM 2572 C PRO B 101 -4.649 -9.093 -2.642 1.00 0.00 C ATOM 2573 O PRO B 101 -5.255 -10.149 -2.811 1.00 0.00 O ATOM 2574 CB PRO B 101 -6.489 -7.593 -1.824 1.00 0.00 C ATOM 2575 CG PRO B 101 -6.445 -6.155 -1.453 1.00 0.00 C ATOM 2576 CD PRO B 101 -5.071 -5.692 -1.809 1.00 0.00 C ATOM 0 HA PRO B 101 -4.977 -8.666 -0.624 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -6.766 -7.723 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -7.226 -8.133 -1.229 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -7.203 -5.587 -1.993 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.642 -6.018 -0.390 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -5.004 -5.384 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.761 -4.840 -1.205 1.00 0.00 H new ATOM 2584 N LYS B 102 -3.615 -8.733 -3.379 1.00 0.00 N ATOM 2585 CA LYS B 102 -3.081 -9.577 -4.426 1.00 0.00 C ATOM 2586 C LYS B 102 -1.994 -10.479 -3.844 1.00 0.00 C ATOM 2587 O LYS B 102 -1.805 -11.612 -4.289 1.00 0.00 O ATOM 2588 CB LYS B 102 -2.527 -8.698 -5.552 1.00 0.00 C ATOM 2589 CG LYS B 102 -1.835 -9.454 -6.672 1.00 0.00 C ATOM 2590 CD LYS B 102 -1.369 -8.485 -7.760 1.00 0.00 C ATOM 2591 CE LYS B 102 -0.319 -9.090 -8.686 1.00 0.00 C ATOM 2592 NZ LYS B 102 0.457 -8.034 -9.405 1.00 0.00 N ATOM 0 H LYS B 102 -3.123 -7.847 -3.267 1.00 0.00 H new ATOM 0 HA LYS B 102 -3.867 -10.210 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -3.346 -8.118 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -1.821 -7.986 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -0.981 -10.003 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.517 -10.189 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -2.229 -8.170 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -0.960 -7.590 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS B 102 0.363 -9.712 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -0.806 -9.742 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 1.014 -8.471 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.199 -7.337 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 1.097 -7.558 -8.737 1.00 0.00 H new ATOM 2606 N PHE B 103 -1.303 -9.975 -2.822 1.00 0.00 N ATOM 2607 CA PHE B 103 -0.228 -10.723 -2.175 1.00 0.00 C ATOM 2608 C PHE B 103 -0.478 -10.906 -0.688 1.00 0.00 C ATOM 2609 O PHE B 103 0.305 -11.558 -0.015 1.00 0.00 O ATOM 2610 CB PHE B 103 1.115 -10.033 -2.402 1.00 0.00 C ATOM 2611 CG PHE B 103 1.527 -10.020 -3.843 1.00 0.00 C ATOM 2612 CD1 PHE B 103 2.095 -11.142 -4.425 1.00 0.00 C ATOM 2613 CD2 PHE B 103 1.331 -8.893 -4.618 1.00 0.00 C ATOM 2614 CE1 PHE B 103 2.459 -11.136 -5.756 1.00 0.00 C ATOM 2615 CE2 PHE B 103 1.695 -8.881 -5.946 1.00 0.00 C ATOM 2616 CZ PHE B 103 2.259 -10.004 -6.518 1.00 0.00 C ATOM 0 H PHE B 103 -1.470 -9.050 -2.425 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.203 -11.713 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE B 103 1.058 -9.008 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.882 -10.538 -1.815 1.00 0.00 H new ATOM 0 HD1 PHE B 103 2.254 -12.030 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE B 103 0.888 -8.012 -4.178 1.00 0.00 H new ATOM 0 HE1 PHE B 103 2.900 -12.016 -6.200 1.00 0.00 H new ATOM 0 HE2 PHE B 103 1.539 -7.993 -6.540 1.00 0.00 H new ATOM 0 HZ PHE B 103 2.543 -9.996 -7.560 1.00 0.00 H new ATOM 2626 N LYS B 104 -1.586 -10.367 -0.198 1.00 0.00 N ATOM 2627 CA LYS B 104 -1.937 -10.453 1.218 1.00 0.00 C ATOM 2628 C LYS B 104 -1.864 -11.891 1.720 1.00 0.00 C ATOM 2629 O LYS B 104 -2.661 -12.743 1.321 1.00 0.00 O ATOM 2630 CB LYS B 104 -3.348 -9.904 1.444 1.00 0.00 C ATOM 2631 CG LYS B 104 -3.586 -9.395 2.855 1.00 0.00 C ATOM 2632 CD LYS B 104 -2.840 -8.095 3.100 1.00 0.00 C ATOM 2633 CE LYS B 104 -2.934 -7.653 4.552 1.00 0.00 C ATOM 2634 NZ LYS B 104 -4.333 -7.361 4.963 1.00 0.00 N ATOM 0 H LYS B 104 -2.265 -9.860 -0.765 1.00 0.00 H new ATOM 0 HA LYS B 104 -1.217 -9.856 1.777 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -3.530 -9.093 0.739 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -4.073 -10.687 1.223 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -4.653 -9.241 3.014 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -3.261 -10.146 3.575 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -1.793 -8.220 2.826 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -3.247 -7.316 2.456 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -2.524 -8.433 5.194 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -2.321 -6.764 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -4.369 -6.438 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -4.945 -7.340 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -4.665 -8.101 5.614 1.00 0.00 H new