USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1004 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 98 GLN : amide:sc= -0.497 K(o=0.75,f=-0.015) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.136) USER MOD Set 2.1: B 81 ASN : amide:sc= 1.67 K(o=3.4,f=0.076) USER MOD Set 2.2: B 83 SER OG : rot 92:sc= 1.02 USER MOD Set 2.3: B 84 THR OG1 : rot 44:sc= 0.747 USER MOD Set 3.1: B 54 LYS NZ :NH3+ 158:sc= 2.09 (180deg=-0.508) USER MOD Set 3.2: B 66 GLN : amide:sc= -2.28! C(o=-4.6!,f=-16!) USER MOD Set 3.3: B 76 ASN : amide:sc= -4.4! C(o=-4.6!,f=-10!) USER MOD Set 4.1: B 20 GLN : amide:sc= -0.721 K(o=1.6,f=-4.5) USER MOD Set 4.2: B 38 LYS NZ :NH3+ 151:sc= 2.28 (180deg=-0.12) USER MOD Set 5.1: B 17 GLN : amide:sc= 0.727 K(o=2.8,f=1.2) USER MOD Set 5.2: B 18 LYS NZ :NH3+ -153:sc= 2.06 (180deg=-1.42) USER MOD Set 6.1: B 1 MET CE :methyl -165:sc= -0.318 (180deg=-0.0494) USER MOD Set 6.2: B 5 SER OG : rot 180:sc= -0.0911 USER MOD Set 7.1: B 4 SER OG : rot -9:sc= 0.634 USER MOD Set 7.2: B 44 SER OG : rot 125:sc= 0.951 USER MOD Single : A 392 TYR OH : rot -164:sc= 1.29 USER MOD Single : A 404 ASN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 406 ASN : amide:sc= 0.513 K(o=0.51,f=-0.0093) USER MOD Single : B 1 MET N :NH3+ 167:sc= 0.801 (180deg=0.64) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.084 USER MOD Single : B 13 LYS NZ :NH3+ -169:sc= 2.34 (180deg=2.06) USER MOD Single : B 14 LYS NZ :NH3+ -137:sc= 1.33 (180deg=-0.118) USER MOD Single : B 19 LYS NZ :NH3+ 144:sc= 1.14 (180deg=-0.111) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -108:sc= -0.621 (180deg=-2.24) USER MOD Single : B 42 THR OG1 : rot 90:sc= -0.286 USER MOD Single : B 45 HIS :FLIP no HD1:sc= 0 F(o=-0.54,f=0) USER MOD Single : B 46 MET CE :methyl -128:sc= -0.217 (180deg=-0.343) USER MOD Single : B 47 TYR OH : rot -33:sc= 0.0142 USER MOD Single : B 51 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.14) USER MOD Single : B 52 CYS SG : rot -174:sc= -4.2! USER MOD Single : B 53 GLN : amide:sc= -3.82! C(o=-3.8!,f=-6!) USER MOD Single : B 56 SER OG : rot 160:sc= -1.27 USER MOD Single : B 60 LYS NZ :NH3+ 166:sc= 2.3 (180deg=1.16) USER MOD Single : B 62 LYS NZ :NH3+ 166:sc= 0.771 (180deg=0.48) USER MOD Single : B 64 GLN :FLIP amide:sc= -0.763 F(o=-3.3!,f=-0.76) USER MOD Single : B 70 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-13!) USER MOD Single : B 74 THR OG1 : rot 35:sc= 0.0182 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HE2:sc= -4.85! C(o=-4.9!,f=-5.6!) USER MOD Single : B 80 SER OG : rot 132:sc= 0.877 USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : B 93 LYS NZ :NH3+ 174:sc= 2.79 (180deg=2.2) USER MOD Single : B 97 GLN : amide:sc= 0.811 K(o=0.81,f=-0.44) USER MOD Single : B 104 LYS NZ :NH3+ -125:sc= 2.78 (180deg=0.744) USER MOD Single : B 106 LYS NZ :NH3+ 148:sc= 2.26 (180deg=-0.162!) USER MOD Single : B 108 ASN : amide:sc= 1.09 K(o=1.1,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 392 5.756 9.392 15.502 1.00 0.00 N ATOM 2 CA TYR A 392 5.985 8.934 16.891 1.00 0.00 C ATOM 3 C TYR A 392 6.231 7.424 16.913 1.00 0.00 C ATOM 4 O TYR A 392 6.740 6.874 15.943 1.00 0.00 O ATOM 5 CB TYR A 392 4.801 9.334 17.794 1.00 0.00 C ATOM 6 CG TYR A 392 3.462 8.724 17.422 1.00 0.00 C ATOM 7 CD1 TYR A 392 2.848 7.806 18.262 1.00 0.00 C ATOM 8 CD2 TYR A 392 2.810 9.070 16.244 1.00 0.00 C ATOM 9 CE1 TYR A 392 1.627 7.249 17.943 1.00 0.00 C ATOM 10 CE2 TYR A 392 1.588 8.516 15.918 1.00 0.00 C ATOM 11 CZ TYR A 392 1.001 7.605 16.771 1.00 0.00 C ATOM 12 OH TYR A 392 -0.214 7.050 16.456 1.00 0.00 O ATOM 0 HA TYR A 392 6.875 9.423 17.286 1.00 0.00 H new ATOM 0 HB2 TYR A 392 5.037 9.051 18.820 1.00 0.00 H new ATOM 0 HB3 TYR A 392 4.704 10.420 17.777 1.00 0.00 H new ATOM 0 HD1 TYR A 392 3.335 7.522 19.183 1.00 0.00 H new ATOM 0 HD2 TYR A 392 3.266 9.783 15.573 1.00 0.00 H new ATOM 0 HE1 TYR A 392 1.165 6.537 18.610 1.00 0.00 H new ATOM 0 HE2 TYR A 392 1.094 8.795 14.999 1.00 0.00 H new ATOM 0 HH TYR A 392 -0.405 7.198 15.506 1.00 0.00 H new ATOM 24 N VAL A 393 5.886 6.757 18.017 1.00 0.00 N ATOM 25 CA VAL A 393 6.085 5.309 18.128 1.00 0.00 C ATOM 26 C VAL A 393 5.273 4.563 17.063 1.00 0.00 C ATOM 27 O VAL A 393 5.773 3.641 16.419 1.00 0.00 O ATOM 28 CB VAL A 393 5.739 4.786 19.547 1.00 0.00 C ATOM 29 CG1 VAL A 393 4.328 5.176 19.959 1.00 0.00 C ATOM 30 CG2 VAL A 393 5.923 3.276 19.628 1.00 0.00 C ATOM 0 H VAL A 393 5.471 7.192 18.841 1.00 0.00 H new ATOM 0 HA VAL A 393 7.143 5.114 17.956 1.00 0.00 H new ATOM 0 HB VAL A 393 6.430 5.257 20.246 1.00 0.00 H new ATOM 0 HG11 VAL A 393 4.122 4.792 20.958 1.00 0.00 H new ATOM 0 HG12 VAL A 393 4.237 6.262 19.961 1.00 0.00 H new ATOM 0 HG13 VAL A 393 3.613 4.753 19.253 1.00 0.00 H new ATOM 0 HG21 VAL A 393 5.675 2.933 20.632 1.00 0.00 H new ATOM 0 HG22 VAL A 393 5.267 2.790 18.906 1.00 0.00 H new ATOM 0 HG23 VAL A 393 6.959 3.023 19.404 1.00 0.00 H new ATOM 40 N GLY A 394 4.027 4.978 16.868 1.00 0.00 N ATOM 41 CA GLY A 394 3.186 4.358 15.863 1.00 0.00 C ATOM 42 C GLY A 394 3.353 5.054 14.532 1.00 0.00 C ATOM 43 O GLY A 394 2.455 5.761 14.084 1.00 0.00 O ATOM 0 H GLY A 394 3.584 5.734 17.389 1.00 0.00 H new ATOM 0 HA2 GLY A 394 3.444 3.304 15.764 1.00 0.00 H new ATOM 0 HA3 GLY A 394 2.143 4.403 16.175 1.00 0.00 H new ATOM 47 N GLU A 395 4.529 4.857 13.933 1.00 0.00 N ATOM 48 CA GLU A 395 4.901 5.471 12.658 1.00 0.00 C ATOM 49 C GLU A 395 5.241 6.945 12.865 1.00 0.00 C ATOM 50 O GLU A 395 4.826 7.563 13.849 1.00 0.00 O ATOM 51 CB GLU A 395 3.815 5.299 11.589 1.00 0.00 C ATOM 52 CG GLU A 395 4.241 4.400 10.435 1.00 0.00 C ATOM 53 CD GLU A 395 5.217 5.070 9.491 1.00 0.00 C ATOM 54 OE1 GLU A 395 4.984 5.041 8.258 1.00 0.00 O ATOM 55 OE2 GLU A 395 6.220 5.638 9.969 1.00 0.00 O ATOM 0 H GLU A 395 5.258 4.260 14.324 1.00 0.00 H new ATOM 0 HA GLU A 395 5.785 4.953 12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 395 2.921 4.883 12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 395 3.544 6.279 11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.696 3.494 10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.357 4.092 9.876 1.00 0.00 H new ATOM 62 N ASP A 396 6.013 7.501 11.949 1.00 0.00 N ATOM 63 CA ASP A 396 6.442 8.891 12.052 1.00 0.00 C ATOM 64 C ASP A 396 6.193 9.649 10.765 1.00 0.00 C ATOM 65 O ASP A 396 6.972 10.529 10.414 1.00 0.00 O ATOM 66 CB ASP A 396 7.926 8.991 12.407 1.00 0.00 C ATOM 67 CG ASP A 396 8.251 10.275 13.149 1.00 0.00 C ATOM 68 OD1 ASP A 396 8.938 11.146 12.572 1.00 0.00 O ATOM 69 OD2 ASP A 396 7.802 10.422 14.307 1.00 0.00 O ATOM 0 H ASP A 396 6.358 7.013 11.122 1.00 0.00 H new ATOM 0 HA ASP A 396 5.849 9.339 12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 396 8.210 8.136 13.021 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.521 8.940 11.495 1.00 0.00 H new ATOM 74 N ASP A 397 5.158 9.287 10.025 1.00 0.00 N ATOM 75 CA ASP A 397 4.877 9.979 8.770 1.00 0.00 C ATOM 76 C ASP A 397 4.687 11.467 9.012 1.00 0.00 C ATOM 77 O ASP A 397 5.204 12.286 8.251 1.00 0.00 O ATOM 78 CB ASP A 397 3.664 9.396 8.055 1.00 0.00 C ATOM 79 CG ASP A 397 3.867 9.369 6.558 1.00 0.00 C ATOM 80 OD1 ASP A 397 4.786 8.654 6.103 1.00 0.00 O ATOM 81 OD2 ASP A 397 3.133 10.065 5.838 1.00 0.00 O ATOM 0 H ASP A 397 4.509 8.536 10.260 1.00 0.00 H new ATOM 0 HA ASP A 397 5.739 9.834 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 397 3.478 8.385 8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 397 2.780 9.988 8.293 1.00 0.00 H new ATOM 86 N GLU A 398 3.966 11.805 10.085 1.00 0.00 N ATOM 87 CA GLU A 398 3.734 13.200 10.466 1.00 0.00 C ATOM 88 C GLU A 398 2.738 13.297 11.622 1.00 0.00 C ATOM 89 O GLU A 398 3.070 13.772 12.708 1.00 0.00 O ATOM 90 CB GLU A 398 3.223 14.017 9.276 1.00 0.00 C ATOM 91 CG GLU A 398 3.683 15.466 9.291 1.00 0.00 C ATOM 92 CD GLU A 398 3.115 16.267 8.139 1.00 0.00 C ATOM 93 OE1 GLU A 398 3.680 16.201 7.025 1.00 0.00 O ATOM 94 OE2 GLU A 398 2.095 16.959 8.344 1.00 0.00 O ATOM 0 H GLU A 398 3.530 11.126 10.709 1.00 0.00 H new ATOM 0 HA GLU A 398 4.690 13.611 10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 398 3.560 13.547 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 398 2.133 13.990 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 398 3.386 15.928 10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 398 4.772 15.499 9.250 1.00 0.00 H new ATOM 101 N GLU A 399 1.526 12.832 11.373 1.00 0.00 N ATOM 102 CA GLU A 399 0.441 12.862 12.349 1.00 0.00 C ATOM 103 C GLU A 399 -0.520 11.753 12.002 1.00 0.00 C ATOM 104 O GLU A 399 -1.444 11.939 11.223 1.00 0.00 O ATOM 105 CB GLU A 399 -0.247 14.219 12.296 1.00 0.00 C ATOM 106 CG GLU A 399 -1.405 14.381 13.251 1.00 0.00 C ATOM 107 CD GLU A 399 -2.284 15.552 12.866 1.00 0.00 C ATOM 108 OE1 GLU A 399 -1.900 16.306 11.938 1.00 0.00 O ATOM 109 OE2 GLU A 399 -3.366 15.700 13.465 1.00 0.00 O ATOM 0 H GLU A 399 1.261 12.418 10.479 1.00 0.00 H new ATOM 0 HA GLU A 399 0.816 12.715 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.491 14.993 12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.605 14.389 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.999 13.467 13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.026 14.527 14.262 1.00 0.00 H new ATOM 116 N ASP A 400 -0.288 10.596 12.576 1.00 0.00 N ATOM 117 CA ASP A 400 -1.074 9.426 12.255 1.00 0.00 C ATOM 118 C ASP A 400 -1.563 8.671 13.481 1.00 0.00 C ATOM 119 O ASP A 400 -0.878 7.794 14.000 1.00 0.00 O ATOM 120 CB ASP A 400 -0.210 8.508 11.411 1.00 0.00 C ATOM 121 CG ASP A 400 1.276 8.808 11.559 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.936 9.035 10.526 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.776 8.847 12.702 1.00 0.00 O ATOM 0 H ASP A 400 0.442 10.439 13.271 1.00 0.00 H new ATOM 0 HA ASP A 400 -1.966 9.755 11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.399 7.473 11.696 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.495 8.607 10.364 1.00 0.00 H new ATOM 128 N ASP A 401 -2.760 9.001 13.918 1.00 0.00 N ATOM 129 CA ASP A 401 -3.353 8.341 15.086 1.00 0.00 C ATOM 130 C ASP A 401 -4.838 8.028 14.894 1.00 0.00 C ATOM 131 O ASP A 401 -5.275 6.918 15.192 1.00 0.00 O ATOM 132 CB ASP A 401 -3.141 9.184 16.353 1.00 0.00 C ATOM 133 CG ASP A 401 -3.835 10.538 16.296 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.264 11.032 17.354 1.00 0.00 O ATOM 135 OD2 ASP A 401 -3.951 11.109 15.186 1.00 0.00 O ATOM 0 H ASP A 401 -3.348 9.718 13.492 1.00 0.00 H new ATOM 0 HA ASP A 401 -2.838 7.387 15.203 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.510 8.630 17.216 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.073 9.337 16.505 1.00 0.00 H new ATOM 140 N ASP A 402 -5.606 8.985 14.380 1.00 0.00 N ATOM 141 CA ASP A 402 -7.046 8.784 14.144 1.00 0.00 C ATOM 142 C ASP A 402 -7.272 7.886 12.933 1.00 0.00 C ATOM 143 O ASP A 402 -8.381 7.769 12.412 1.00 0.00 O ATOM 144 CB ASP A 402 -7.768 10.121 13.945 1.00 0.00 C ATOM 145 CG ASP A 402 -7.103 11.018 12.917 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.483 10.499 11.960 1.00 0.00 O ATOM 147 OD2 ASP A 402 -7.182 12.252 13.078 1.00 0.00 O ATOM 0 H ASP A 402 -5.262 9.909 14.117 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.460 8.298 15.028 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.796 9.928 13.637 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.814 10.646 14.899 1.00 0.00 H new ATOM 152 N PHE A 403 -6.196 7.253 12.515 1.00 0.00 N ATOM 153 CA PHE A 403 -6.169 6.355 11.395 1.00 0.00 C ATOM 154 C PHE A 403 -7.146 5.188 11.585 1.00 0.00 C ATOM 155 O PHE A 403 -7.051 4.444 12.561 1.00 0.00 O ATOM 156 CB PHE A 403 -4.756 5.833 11.300 1.00 0.00 C ATOM 157 CG PHE A 403 -3.984 6.286 10.119 1.00 0.00 C ATOM 158 CD1 PHE A 403 -2.665 6.654 10.255 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.556 6.290 8.871 1.00 0.00 C ATOM 160 CE1 PHE A 403 -1.925 7.015 9.156 1.00 0.00 C ATOM 161 CE2 PHE A 403 -3.827 6.659 7.770 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.506 7.018 7.913 1.00 0.00 C ATOM 0 H PHE A 403 -5.287 7.358 12.966 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.472 6.875 10.486 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.217 6.130 12.200 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -4.790 4.744 11.293 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.208 6.659 11.234 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.590 6.000 8.755 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -0.888 7.296 9.270 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.288 6.668 6.793 1.00 0.00 H new ATOM 0 HZ PHE A 403 -1.927 7.302 7.047 1.00 0.00 H new ATOM 172 N ASN A 404 -8.054 5.013 10.635 1.00 0.00 N ATOM 173 CA ASN A 404 -9.053 3.944 10.705 1.00 0.00 C ATOM 174 C ASN A 404 -8.803 2.900 9.626 1.00 0.00 C ATOM 175 O ASN A 404 -8.665 3.243 8.458 1.00 0.00 O ATOM 176 CB ASN A 404 -10.464 4.515 10.538 1.00 0.00 C ATOM 177 CG ASN A 404 -11.044 5.045 11.833 1.00 0.00 C ATOM 178 OD1 ASN A 404 -11.679 4.311 12.588 1.00 0.00 O ATOM 179 ND2 ASN A 404 -10.834 6.325 12.098 1.00 0.00 N ATOM 0 H ASN A 404 -8.123 5.597 9.802 1.00 0.00 H new ATOM 0 HA ASN A 404 -8.968 3.473 11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.440 5.318 9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.120 3.739 10.143 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.204 6.736 12.955 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.302 6.900 11.445 1.00 0.00 H new ATOM 186 N GLU A 405 -8.747 1.632 10.017 1.00 0.00 N ATOM 187 CA GLU A 405 -8.510 0.548 9.064 1.00 0.00 C ATOM 188 C GLU A 405 -9.739 0.313 8.191 1.00 0.00 C ATOM 189 O GLU A 405 -9.767 0.702 7.024 1.00 0.00 O ATOM 190 CB GLU A 405 -8.145 -0.753 9.789 1.00 0.00 C ATOM 191 CG GLU A 405 -7.210 -0.558 10.970 1.00 0.00 C ATOM 192 CD GLU A 405 -6.151 -1.642 11.067 1.00 0.00 C ATOM 193 OE1 GLU A 405 -4.967 -1.293 11.266 1.00 0.00 O ATOM 194 OE2 GLU A 405 -6.493 -2.838 10.940 1.00 0.00 O ATOM 0 H GLU A 405 -8.862 1.327 10.984 1.00 0.00 H new ATOM 0 HA GLU A 405 -7.674 0.847 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 405 -9.060 -1.232 10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 405 -7.679 -1.435 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -6.723 0.413 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -7.793 -0.543 11.891 1.00 0.00 H new ATOM 201 N ASN A 406 -10.742 -0.339 8.778 1.00 0.00 N ATOM 202 CA ASN A 406 -12.002 -0.660 8.097 1.00 0.00 C ATOM 203 C ASN A 406 -11.803 -1.785 7.080 1.00 0.00 C ATOM 204 O ASN A 406 -12.721 -2.145 6.345 1.00 0.00 O ATOM 205 CB ASN A 406 -12.610 0.578 7.420 1.00 0.00 C ATOM 206 CG ASN A 406 -14.132 0.599 7.470 1.00 0.00 C ATOM 207 OD1 ASN A 406 -14.741 1.659 7.604 1.00 0.00 O ATOM 208 ND2 ASN A 406 -14.758 -0.563 7.355 1.00 0.00 N ATOM 0 H ASN A 406 -10.706 -0.662 9.745 1.00 0.00 H new ATOM 0 HA ASN A 406 -12.704 -1.002 8.857 1.00 0.00 H new ATOM 0 HB2 ASN A 406 -12.224 1.475 7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 406 -12.286 0.612 6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 406 -15.777 -0.598 7.376 1.00 0.00 H new ATOM 0 HD22 ASN A 406 -14.221 -1.423 7.245 1.00 0.00 H new ATOM 215 N ASP A 407 -10.594 -2.327 7.035 1.00 0.00 N ATOM 216 CA ASP A 407 -10.278 -3.428 6.132 1.00 0.00 C ATOM 217 C ASP A 407 -10.042 -4.689 6.952 1.00 0.00 C ATOM 218 O ASP A 407 -9.792 -5.775 6.419 1.00 0.00 O ATOM 219 CB ASP A 407 -9.053 -3.098 5.277 1.00 0.00 C ATOM 220 CG ASP A 407 -8.909 -4.038 4.095 1.00 0.00 C ATOM 221 OD1 ASP A 407 -9.785 -4.014 3.207 1.00 0.00 O ATOM 222 OD2 ASP A 407 -7.923 -4.801 4.057 1.00 0.00 O ATOM 0 H ASP A 407 -9.812 -2.022 7.615 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.116 -3.589 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -9.130 -2.072 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -8.156 -3.153 5.894 1.00 0.00 H new ATOM 227 N GLU A 408 -10.137 -4.507 8.265 1.00 0.00 N ATOM 228 CA GLU A 408 -9.971 -5.572 9.246 1.00 0.00 C ATOM 229 C GLU A 408 -8.688 -6.367 9.051 1.00 0.00 C ATOM 230 O GLU A 408 -7.628 -5.808 8.774 1.00 0.00 O ATOM 231 CB GLU A 408 -11.185 -6.496 9.222 1.00 0.00 C ATOM 232 CG GLU A 408 -12.283 -6.050 10.172 1.00 0.00 C ATOM 233 CD GLU A 408 -12.804 -4.652 9.866 1.00 0.00 C ATOM 234 OE1 GLU A 408 -12.100 -3.666 10.191 1.00 0.00 O ATOM 235 OE2 GLU A 408 -13.908 -4.539 9.302 1.00 0.00 O ATOM 0 H GLU A 408 -10.335 -3.598 8.684 1.00 0.00 H new ATOM 0 HA GLU A 408 -9.891 -5.097 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -11.583 -6.539 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -10.872 -7.507 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -13.110 -6.759 10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -11.904 -6.075 11.194 1.00 0.00 H new ATOM 242 N ASP A 409 -8.794 -7.675 9.216 1.00 0.00 N ATOM 243 CA ASP A 409 -7.647 -8.550 9.088 1.00 0.00 C ATOM 244 C ASP A 409 -7.745 -9.396 7.826 1.00 0.00 C ATOM 245 O ASP A 409 -8.527 -9.088 6.921 1.00 0.00 O ATOM 246 CB ASP A 409 -7.536 -9.451 10.318 1.00 0.00 C ATOM 247 CG ASP A 409 -6.216 -9.278 11.039 1.00 0.00 C ATOM 248 OD1 ASP A 409 -5.331 -10.141 10.874 1.00 0.00 O ATOM 249 OD2 ASP A 409 -6.059 -8.268 11.761 1.00 0.00 O ATOM 0 H ASP A 409 -9.667 -8.153 9.440 1.00 0.00 H new ATOM 0 HA ASP A 409 -6.752 -7.932 9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 409 -8.354 -9.229 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 409 -7.648 -10.492 10.015 1.00 0.00 H new ATOM 254 N ASP A 410 -6.949 -10.451 7.770 1.00 0.00 N ATOM 255 CA ASP A 410 -6.937 -11.356 6.630 1.00 0.00 C ATOM 256 C ASP A 410 -6.955 -12.800 7.112 1.00 0.00 C ATOM 257 O ASP A 410 -7.027 -13.006 8.346 1.00 0.00 O ATOM 258 CB ASP A 410 -5.707 -11.117 5.738 1.00 0.00 C ATOM 259 CG ASP A 410 -4.400 -11.028 6.510 1.00 0.00 C ATOM 260 OD1 ASP A 410 -3.673 -10.029 6.329 1.00 0.00 O ATOM 261 OD2 ASP A 410 -4.091 -11.947 7.299 1.00 0.00 O ATOM 262 OXT ASP A 410 -6.891 -13.717 6.263 1.00 0.00 O ATOM 0 H ASP A 410 -6.295 -10.705 8.510 1.00 0.00 H new ATOM 0 HA ASP A 410 -7.829 -11.160 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -5.634 -11.925 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -5.850 -10.194 5.176 1.00 0.00 H new TER 267 ASP A 410 ATOM 268 N MET B 1 14.028 4.392 -13.267 1.00 0.00 N ATOM 269 CA MET B 1 12.865 3.503 -13.044 1.00 0.00 C ATOM 270 C MET B 1 13.199 2.466 -11.980 1.00 0.00 C ATOM 271 O MET B 1 14.370 2.164 -11.753 1.00 0.00 O ATOM 272 CB MET B 1 12.476 2.811 -14.357 1.00 0.00 C ATOM 273 CG MET B 1 11.125 2.115 -14.312 1.00 0.00 C ATOM 274 SD MET B 1 9.843 3.150 -13.582 1.00 0.00 S ATOM 275 CE MET B 1 8.366 2.288 -14.114 1.00 0.00 C ATOM 0 H1 MET B 1 13.879 4.947 -14.134 1.00 0.00 H new ATOM 0 H2 MET B 1 14.133 5.036 -12.457 1.00 0.00 H new ATOM 0 H3 MET B 1 14.889 3.818 -13.367 1.00 0.00 H new ATOM 0 HA MET B 1 12.021 4.100 -12.698 1.00 0.00 H new ATOM 0 HB2 MET B 1 12.465 3.551 -15.157 1.00 0.00 H new ATOM 0 HB3 MET B 1 13.242 2.079 -14.611 1.00 0.00 H new ATOM 0 HG2 MET B 1 10.830 1.835 -15.323 1.00 0.00 H new ATOM 0 HG3 MET B 1 11.214 1.192 -13.739 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.499 2.934 -13.977 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.459 2.024 -15.167 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.241 1.381 -13.522 1.00 0.00 H new ATOM 285 N ALA B 2 12.175 1.932 -11.324 1.00 0.00 N ATOM 286 CA ALA B 2 12.371 0.928 -10.287 1.00 0.00 C ATOM 287 C ALA B 2 11.847 -0.426 -10.746 1.00 0.00 C ATOM 288 O ALA B 2 11.296 -0.544 -11.841 1.00 0.00 O ATOM 289 CB ALA B 2 11.682 1.350 -8.999 1.00 0.00 C ATOM 0 H ALA B 2 11.200 2.179 -11.493 1.00 0.00 H new ATOM 0 HA ALA B 2 13.440 0.839 -10.096 1.00 0.00 H new ATOM 0 HB1 ALA B 2 11.839 0.588 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA B 2 12.099 2.297 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA B 2 10.614 1.468 -9.180 1.00 0.00 H new ATOM 295 N THR B 3 12.006 -1.436 -9.899 1.00 0.00 N ATOM 296 CA THR B 3 11.557 -2.786 -10.206 1.00 0.00 C ATOM 297 C THR B 3 10.050 -2.937 -9.981 1.00 0.00 C ATOM 298 O THR B 3 9.600 -3.826 -9.257 1.00 0.00 O ATOM 299 CB THR B 3 12.307 -3.807 -9.334 1.00 0.00 C ATOM 300 OG1 THR B 3 13.446 -3.174 -8.730 1.00 0.00 O ATOM 301 CG2 THR B 3 12.762 -5.000 -10.162 1.00 0.00 C ATOM 0 H THR B 3 12.448 -1.342 -8.985 1.00 0.00 H new ATOM 0 HA THR B 3 11.771 -2.974 -11.258 1.00 0.00 H new ATOM 0 HB THR B 3 11.629 -4.167 -8.560 1.00 0.00 H new ATOM 0 HG1 THR B 3 13.924 -3.823 -8.173 1.00 0.00 H new ATOM 0 HG21 THR B 3 13.290 -5.707 -9.522 1.00 0.00 H new ATOM 0 HG22 THR B 3 11.894 -5.489 -10.604 1.00 0.00 H new ATOM 0 HG23 THR B 3 13.429 -4.660 -10.954 1.00 0.00 H new ATOM 309 N SER B 4 9.285 -2.050 -10.598 1.00 0.00 N ATOM 310 CA SER B 4 7.832 -2.055 -10.495 1.00 0.00 C ATOM 311 C SER B 4 7.241 -1.412 -11.744 1.00 0.00 C ATOM 312 O SER B 4 7.389 -0.208 -11.959 1.00 0.00 O ATOM 313 CB SER B 4 7.382 -1.295 -9.241 1.00 0.00 C ATOM 314 OG SER B 4 8.024 -1.799 -8.078 1.00 0.00 O ATOM 0 H SER B 4 9.655 -1.303 -11.187 1.00 0.00 H new ATOM 0 HA SER B 4 7.479 -3.083 -10.414 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.608 -0.235 -9.354 1.00 0.00 H new ATOM 0 HB3 SER B 4 6.301 -1.380 -9.129 1.00 0.00 H new ATOM 0 HG SER B 4 8.510 -2.620 -8.302 1.00 0.00 H new ATOM 320 N SER B 5 6.607 -2.216 -12.586 1.00 0.00 N ATOM 321 CA SER B 5 6.019 -1.716 -13.824 1.00 0.00 C ATOM 322 C SER B 5 4.831 -2.574 -14.245 1.00 0.00 C ATOM 323 O SER B 5 4.713 -2.968 -15.406 1.00 0.00 O ATOM 324 CB SER B 5 7.074 -1.695 -14.936 1.00 0.00 C ATOM 325 OG SER B 5 8.220 -0.957 -14.540 1.00 0.00 O ATOM 0 H SER B 5 6.486 -3.218 -12.436 1.00 0.00 H new ATOM 0 HA SER B 5 5.664 -0.700 -13.650 1.00 0.00 H new ATOM 0 HB2 SER B 5 7.364 -2.716 -15.186 1.00 0.00 H new ATOM 0 HB3 SER B 5 6.648 -1.255 -15.837 1.00 0.00 H new ATOM 0 HG SER B 5 8.878 -0.960 -15.266 1.00 0.00 H new ATOM 331 N GLU B 6 3.954 -2.860 -13.297 1.00 0.00 N ATOM 332 CA GLU B 6 2.783 -3.668 -13.559 1.00 0.00 C ATOM 333 C GLU B 6 1.624 -2.771 -13.969 1.00 0.00 C ATOM 334 O GLU B 6 1.797 -1.556 -14.108 1.00 0.00 O ATOM 335 CB GLU B 6 2.415 -4.489 -12.319 1.00 0.00 C ATOM 336 CG GLU B 6 3.555 -5.355 -11.788 1.00 0.00 C ATOM 337 CD GLU B 6 4.656 -4.545 -11.131 1.00 0.00 C ATOM 338 OE1 GLU B 6 5.848 -4.817 -11.394 1.00 0.00 O ATOM 339 OE2 GLU B 6 4.341 -3.615 -10.363 1.00 0.00 O ATOM 0 H GLU B 6 4.036 -2.540 -12.332 1.00 0.00 H new ATOM 0 HA GLU B 6 3.000 -4.359 -14.373 1.00 0.00 H new ATOM 0 HB2 GLU B 6 2.089 -3.811 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU B 6 1.567 -5.130 -12.559 1.00 0.00 H new ATOM 0 HG2 GLU B 6 3.157 -6.069 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU B 6 3.978 -5.934 -12.609 1.00 0.00 H new ATOM 346 N GLU B 7 0.453 -3.360 -14.150 1.00 0.00 N ATOM 347 CA GLU B 7 -0.726 -2.610 -14.555 1.00 0.00 C ATOM 348 C GLU B 7 -1.115 -1.590 -13.486 1.00 0.00 C ATOM 349 O GLU B 7 -1.509 -1.957 -12.379 1.00 0.00 O ATOM 350 CB GLU B 7 -1.894 -3.562 -14.826 1.00 0.00 C ATOM 351 CG GLU B 7 -3.021 -2.926 -15.621 1.00 0.00 C ATOM 352 CD GLU B 7 -2.541 -2.332 -16.931 1.00 0.00 C ATOM 353 OE1 GLU B 7 -1.975 -1.218 -16.905 1.00 0.00 O ATOM 354 OE2 GLU B 7 -2.725 -2.983 -17.979 1.00 0.00 O ATOM 0 H GLU B 7 0.293 -4.359 -14.022 1.00 0.00 H new ATOM 0 HA GLU B 7 -0.489 -2.072 -15.473 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.525 -4.433 -15.367 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.288 -3.921 -13.875 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -3.787 -3.675 -15.824 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -3.489 -2.146 -15.021 1.00 0.00 H new ATOM 361 N VAL B 8 -0.995 -0.314 -13.824 1.00 0.00 N ATOM 362 CA VAL B 8 -1.331 0.764 -12.902 1.00 0.00 C ATOM 363 C VAL B 8 -2.826 1.028 -12.933 1.00 0.00 C ATOM 364 O VAL B 8 -3.375 1.448 -13.950 1.00 0.00 O ATOM 365 CB VAL B 8 -0.581 2.066 -13.245 1.00 0.00 C ATOM 366 CG1 VAL B 8 -1.055 3.203 -12.350 1.00 0.00 C ATOM 367 CG2 VAL B 8 0.923 1.869 -13.115 1.00 0.00 C ATOM 0 H VAL B 8 -0.665 0.002 -14.736 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.026 0.446 -11.905 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.800 2.329 -14.280 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.516 4.115 -12.605 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.124 3.360 -12.496 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.865 2.949 -11.307 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.434 2.799 -13.361 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.165 1.582 -12.092 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.248 1.085 -13.799 1.00 0.00 H new ATOM 377 N LEU B 9 -3.479 0.782 -11.814 1.00 0.00 N ATOM 378 CA LEU B 9 -4.912 0.982 -11.722 1.00 0.00 C ATOM 379 C LEU B 9 -5.246 2.355 -11.153 1.00 0.00 C ATOM 380 O LEU B 9 -6.290 2.925 -11.463 1.00 0.00 O ATOM 381 CB LEU B 9 -5.543 -0.114 -10.861 1.00 0.00 C ATOM 382 CG LEU B 9 -5.205 -1.547 -11.282 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.750 -2.542 -10.270 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.759 -1.843 -12.669 1.00 0.00 C ATOM 0 H LEU B 9 -3.041 0.444 -10.957 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.324 0.928 -12.730 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.225 0.029 -9.828 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.626 0.008 -10.881 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.120 -1.647 -11.316 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.501 -3.555 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.308 -2.347 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.833 -2.439 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.508 -2.866 -12.950 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.842 -1.724 -12.661 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -5.323 -1.151 -13.390 1.00 0.00 H new ATOM 396 N LEU B 10 -4.365 2.888 -10.317 1.00 0.00 N ATOM 397 CA LEU B 10 -4.601 4.192 -9.721 1.00 0.00 C ATOM 398 C LEU B 10 -3.326 5.007 -9.595 1.00 0.00 C ATOM 399 O LEU B 10 -2.273 4.483 -9.232 1.00 0.00 O ATOM 400 CB LEU B 10 -5.216 4.030 -8.337 1.00 0.00 C ATOM 401 CG LEU B 10 -5.725 5.329 -7.694 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.174 5.593 -8.044 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.561 5.287 -6.191 1.00 0.00 C ATOM 0 H LEU B 10 -3.491 2.442 -10.040 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.283 4.724 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.046 3.327 -8.405 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.473 3.583 -7.676 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.122 6.144 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.499 6.520 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.277 5.681 -9.126 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.791 4.768 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.928 6.218 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.129 4.450 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.507 5.163 -5.943 1.00 0.00 H new ATOM 415 N ILE B 11 -3.435 6.289 -9.904 1.00 0.00 N ATOM 416 CA ILE B 11 -2.320 7.207 -9.781 1.00 0.00 C ATOM 417 C ILE B 11 -2.709 8.328 -8.836 1.00 0.00 C ATOM 418 O ILE B 11 -3.697 9.030 -9.066 1.00 0.00 O ATOM 419 CB ILE B 11 -1.885 7.827 -11.124 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.466 6.738 -12.114 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.741 8.813 -10.886 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.186 7.254 -13.510 1.00 0.00 C ATOM 0 H ILE B 11 -4.295 6.718 -10.245 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.476 6.630 -9.403 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.730 8.362 -11.558 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.573 6.240 -11.735 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.253 5.986 -12.166 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.434 9.251 -11.836 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.076 9.603 -10.214 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.104 8.289 -10.438 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.895 6.424 -14.153 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.083 7.726 -13.910 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.378 7.984 -13.473 1.00 0.00 H new ATOM 434 N VAL B 12 -1.948 8.481 -7.775 1.00 0.00 N ATOM 435 CA VAL B 12 -2.200 9.508 -6.789 1.00 0.00 C ATOM 436 C VAL B 12 -1.094 10.543 -6.831 1.00 0.00 C ATOM 437 O VAL B 12 0.049 10.226 -7.155 1.00 0.00 O ATOM 438 CB VAL B 12 -2.292 8.919 -5.373 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.969 9.890 -4.430 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.032 7.593 -5.395 1.00 0.00 C ATOM 0 H VAL B 12 -1.137 7.897 -7.572 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.156 9.973 -7.029 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.279 8.743 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.023 9.452 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.396 10.816 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.976 10.102 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.088 7.191 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.040 7.745 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.500 6.890 -6.036 1.00 0.00 H new ATOM 450 N LYS B 13 -1.433 11.773 -6.512 1.00 0.00 N ATOM 451 CA LYS B 13 -0.459 12.848 -6.525 1.00 0.00 C ATOM 452 C LYS B 13 -0.139 13.272 -5.110 1.00 0.00 C ATOM 453 O LYS B 13 -0.756 12.779 -4.172 1.00 0.00 O ATOM 454 CB LYS B 13 -0.969 14.050 -7.320 1.00 0.00 C ATOM 455 CG LYS B 13 -1.141 13.777 -8.803 1.00 0.00 C ATOM 456 CD LYS B 13 -2.599 13.555 -9.149 1.00 0.00 C ATOM 457 CE LYS B 13 -2.887 12.099 -9.468 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.206 11.668 -8.930 1.00 0.00 N ATOM 0 H LYS B 13 -2.375 12.056 -6.240 1.00 0.00 H new ATOM 0 HA LYS B 13 0.444 12.477 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.926 14.368 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.274 14.880 -7.191 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.751 14.616 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.559 12.899 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -3.223 13.875 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.868 14.175 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -2.869 11.953 -10.548 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -2.100 11.472 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.288 10.634 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.285 11.954 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.968 12.114 -9.480 1.00 0.00 H new ATOM 472 N LYS B 14 0.779 14.233 -5.009 1.00 0.00 N ATOM 473 CA LYS B 14 1.265 14.798 -3.741 1.00 0.00 C ATOM 474 C LYS B 14 0.968 13.922 -2.523 1.00 0.00 C ATOM 475 O LYS B 14 0.063 14.201 -1.740 1.00 0.00 O ATOM 476 CB LYS B 14 0.659 16.182 -3.531 1.00 0.00 C ATOM 477 CG LYS B 14 1.334 17.283 -4.330 1.00 0.00 C ATOM 478 CD LYS B 14 0.829 18.657 -3.913 1.00 0.00 C ATOM 479 CE LYS B 14 1.425 19.092 -2.583 1.00 0.00 C ATOM 480 NZ LYS B 14 0.471 19.907 -1.783 1.00 0.00 N ATOM 0 H LYS B 14 1.220 14.654 -5.827 1.00 0.00 H new ATOM 0 HA LYS B 14 2.350 14.856 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.397 16.149 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.711 16.433 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.413 17.231 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.146 17.131 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.082 19.387 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.258 18.638 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.717 18.211 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.332 19.669 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.972 20.716 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.291 20.254 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.064 19.321 -1.026 1.00 0.00 H new ATOM 494 N VAL B 15 1.719 12.841 -2.407 1.00 0.00 N ATOM 495 CA VAL B 15 1.592 11.926 -1.286 1.00 0.00 C ATOM 496 C VAL B 15 2.915 11.879 -0.541 1.00 0.00 C ATOM 497 O VAL B 15 3.946 11.558 -1.122 1.00 0.00 O ATOM 498 CB VAL B 15 1.199 10.497 -1.734 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.346 9.507 -0.586 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.223 10.471 -2.262 1.00 0.00 C ATOM 0 H VAL B 15 2.432 12.573 -3.085 1.00 0.00 H new ATOM 0 HA VAL B 15 0.794 12.293 -0.640 1.00 0.00 H new ATOM 0 HB VAL B 15 1.876 10.202 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL B 15 1.064 8.511 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.382 9.495 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.698 9.806 0.238 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.478 9.457 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.908 10.795 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.306 11.143 -3.117 1.00 0.00 H new ATOM 510 N ARG B 16 2.881 12.215 0.732 1.00 0.00 N ATOM 511 CA ARG B 16 4.073 12.227 1.552 1.00 0.00 C ATOM 512 C ARG B 16 4.313 10.878 2.202 1.00 0.00 C ATOM 513 O ARG B 16 3.391 10.238 2.696 1.00 0.00 O ATOM 514 CB ARG B 16 3.956 13.283 2.652 1.00 0.00 C ATOM 515 CG ARG B 16 4.233 14.695 2.188 1.00 0.00 C ATOM 516 CD ARG B 16 4.206 15.668 3.353 1.00 0.00 C ATOM 517 NE ARG B 16 4.579 17.015 2.939 1.00 0.00 N ATOM 518 CZ ARG B 16 4.629 18.064 3.755 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.326 17.935 5.047 1.00 0.00 N ATOM 520 NH2 ARG B 16 4.985 19.248 3.274 1.00 0.00 N ATOM 0 H ARG B 16 2.030 12.486 1.225 1.00 0.00 H new ATOM 0 HA ARG B 16 4.911 12.461 0.896 1.00 0.00 H new ATOM 0 HB2 ARG B 16 2.952 13.242 3.074 1.00 0.00 H new ATOM 0 HB3 ARG B 16 4.650 13.034 3.455 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.206 14.736 1.698 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.490 14.990 1.447 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.208 15.685 3.790 1.00 0.00 H new ATOM 0 HD3 ARG B 16 4.888 15.324 4.130 1.00 0.00 H new ATOM 0 HE ARG B 16 4.817 17.163 1.958 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.053 17.025 5.418 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.368 18.746 5.664 1.00 0.00 H new ATOM 0 HH21 ARG B 16 5.218 19.348 2.286 1.00 0.00 H new ATOM 0 HH22 ARG B 16 5.026 20.058 3.892 1.00 0.00 H new ATOM 534 N GLN B 17 5.555 10.445 2.165 1.00 0.00 N ATOM 535 CA GLN B 17 5.949 9.207 2.798 1.00 0.00 C ATOM 536 C GLN B 17 7.174 9.472 3.645 1.00 0.00 C ATOM 537 O GLN B 17 8.265 9.707 3.119 1.00 0.00 O ATOM 538 CB GLN B 17 6.237 8.112 1.775 1.00 0.00 C ATOM 539 CG GLN B 17 5.738 6.743 2.203 1.00 0.00 C ATOM 540 CD GLN B 17 6.558 6.125 3.323 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.775 6.285 3.390 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.885 5.436 4.229 1.00 0.00 N ATOM 0 H GLN B 17 6.315 10.939 1.698 1.00 0.00 H new ATOM 0 HA GLN B 17 5.127 8.851 3.419 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.772 8.380 0.826 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.312 8.061 1.601 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.700 6.827 2.526 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.750 6.074 1.342 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.875 5.325 4.139 1.00 0.00 H new ATOM 0 HE22 GLN B 17 6.376 5.015 5.018 1.00 0.00 H new ATOM 551 N LYS B 18 6.965 9.488 4.949 1.00 0.00 N ATOM 552 CA LYS B 18 8.024 9.731 5.913 1.00 0.00 C ATOM 553 C LYS B 18 8.604 11.134 5.748 1.00 0.00 C ATOM 554 O LYS B 18 9.819 11.309 5.657 1.00 0.00 O ATOM 555 CB LYS B 18 9.115 8.661 5.791 1.00 0.00 C ATOM 556 CG LYS B 18 9.650 8.177 7.129 1.00 0.00 C ATOM 557 CD LYS B 18 8.849 6.997 7.664 1.00 0.00 C ATOM 558 CE LYS B 18 7.438 7.399 8.066 1.00 0.00 C ATOM 559 NZ LYS B 18 6.419 6.891 7.111 1.00 0.00 N ATOM 0 H LYS B 18 6.050 9.332 5.372 1.00 0.00 H new ATOM 0 HA LYS B 18 7.598 9.668 6.914 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.716 7.809 5.240 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.941 9.062 5.203 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.695 7.887 7.019 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.620 8.994 7.850 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.801 6.218 6.904 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.363 6.571 8.525 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.223 7.016 9.063 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.373 8.486 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.588 7.516 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.821 6.872 6.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.134 5.929 7.386 1.00 0.00 H new ATOM 573 N LYS B 19 7.707 12.124 5.702 1.00 0.00 N ATOM 574 CA LYS B 19 8.076 13.540 5.574 1.00 0.00 C ATOM 575 C LYS B 19 8.625 13.872 4.182 1.00 0.00 C ATOM 576 O LYS B 19 9.376 14.833 4.023 1.00 0.00 O ATOM 577 CB LYS B 19 9.101 13.945 6.651 1.00 0.00 C ATOM 578 CG LYS B 19 8.499 14.256 8.019 1.00 0.00 C ATOM 579 CD LYS B 19 8.072 12.996 8.759 1.00 0.00 C ATOM 580 CE LYS B 19 7.633 13.298 10.182 1.00 0.00 C ATOM 581 NZ LYS B 19 8.776 13.289 11.134 1.00 0.00 N ATOM 0 H LYS B 19 6.700 11.967 5.753 1.00 0.00 H new ATOM 0 HA LYS B 19 7.161 14.114 5.719 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.827 13.140 6.763 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.648 14.821 6.302 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.228 14.799 8.620 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.637 14.912 7.894 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.254 12.518 8.220 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.900 12.287 8.777 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.145 14.272 10.211 1.00 0.00 H new ATOM 0 HE3 LYS B 19 6.894 12.562 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.631 14.021 11.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.839 12.357 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.659 13.482 10.619 1.00 0.00 H new ATOM 595 N GLN B 20 8.238 13.098 3.174 1.00 0.00 N ATOM 596 CA GLN B 20 8.706 13.343 1.812 1.00 0.00 C ATOM 597 C GLN B 20 7.559 13.255 0.810 1.00 0.00 C ATOM 598 O GLN B 20 6.926 12.212 0.680 1.00 0.00 O ATOM 599 CB GLN B 20 9.807 12.347 1.439 1.00 0.00 C ATOM 600 CG GLN B 20 10.298 12.495 0.006 1.00 0.00 C ATOM 601 CD GLN B 20 11.497 11.617 -0.304 1.00 0.00 C ATOM 602 OE1 GLN B 20 12.319 11.947 -1.168 1.00 0.00 O ATOM 603 NE2 GLN B 20 11.604 10.492 0.387 1.00 0.00 N ATOM 0 H GLN B 20 7.607 12.302 3.271 1.00 0.00 H new ATOM 0 HA GLN B 20 9.113 14.353 1.775 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.649 12.477 2.119 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.434 11.333 1.584 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.486 12.247 -0.678 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.561 13.537 -0.176 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.904 10.257 1.091 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.386 9.860 0.215 1.00 0.00 H new ATOM 612 N ASP B 21 7.305 14.354 0.104 1.00 0.00 N ATOM 613 CA ASP B 21 6.233 14.411 -0.896 1.00 0.00 C ATOM 614 C ASP B 21 6.576 13.551 -2.114 1.00 0.00 C ATOM 615 O ASP B 21 7.751 13.313 -2.409 1.00 0.00 O ATOM 616 CB ASP B 21 5.986 15.860 -1.344 1.00 0.00 C ATOM 617 CG ASP B 21 4.912 16.564 -0.531 1.00 0.00 C ATOM 618 OD1 ASP B 21 5.266 17.320 0.404 1.00 0.00 O ATOM 619 OD2 ASP B 21 3.711 16.370 -0.821 1.00 0.00 O ATOM 0 H ASP B 21 7.828 15.224 0.204 1.00 0.00 H new ATOM 0 HA ASP B 21 5.327 14.021 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.917 16.421 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP B 21 5.698 15.864 -2.395 1.00 0.00 H new ATOM 624 N GLY B 22 5.545 13.073 -2.804 1.00 0.00 N ATOM 625 CA GLY B 22 5.743 12.250 -3.984 1.00 0.00 C ATOM 626 C GLY B 22 4.433 11.865 -4.650 1.00 0.00 C ATOM 627 O GLY B 22 3.415 12.525 -4.455 1.00 0.00 O ATOM 0 H GLY B 22 4.568 13.243 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.366 12.788 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.285 11.346 -3.706 1.00 0.00 H new ATOM 631 N ALA B 23 4.457 10.789 -5.425 1.00 0.00 N ATOM 632 CA ALA B 23 3.272 10.305 -6.129 1.00 0.00 C ATOM 633 C ALA B 23 3.069 8.814 -5.864 1.00 0.00 C ATOM 634 O ALA B 23 4.005 8.021 -5.970 1.00 0.00 O ATOM 635 CB ALA B 23 3.404 10.571 -7.622 1.00 0.00 C ATOM 0 H ALA B 23 5.294 10.228 -5.584 1.00 0.00 H new ATOM 0 HA ALA B 23 2.399 10.841 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.515 10.206 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.508 11.642 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.284 10.055 -8.007 1.00 0.00 H new ATOM 641 N LEU B 24 1.845 8.442 -5.522 1.00 0.00 N ATOM 642 CA LEU B 24 1.508 7.054 -5.214 1.00 0.00 C ATOM 643 C LEU B 24 0.895 6.356 -6.428 1.00 0.00 C ATOM 644 O LEU B 24 -0.011 6.889 -7.059 1.00 0.00 O ATOM 645 CB LEU B 24 0.512 7.020 -4.054 1.00 0.00 C ATOM 646 CG LEU B 24 0.082 5.621 -3.604 1.00 0.00 C ATOM 647 CD1 LEU B 24 0.975 5.080 -2.513 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.364 5.632 -3.146 1.00 0.00 C ATOM 0 H LEU B 24 1.058 9.087 -5.449 1.00 0.00 H new ATOM 0 HA LEU B 24 2.423 6.529 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU B 24 0.953 7.539 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.377 7.580 -4.343 1.00 0.00 H new ATOM 0 HG LEU B 24 0.178 4.958 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.634 4.086 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.000 5.020 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.936 5.743 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.653 4.630 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.476 6.323 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.004 5.951 -3.969 1.00 0.00 H new ATOM 660 N TYR B 25 1.393 5.175 -6.759 1.00 0.00 N ATOM 661 CA TYR B 25 0.868 4.416 -7.886 1.00 0.00 C ATOM 662 C TYR B 25 0.434 3.033 -7.417 1.00 0.00 C ATOM 663 O TYR B 25 1.189 2.330 -6.752 1.00 0.00 O ATOM 664 CB TYR B 25 1.916 4.271 -8.997 1.00 0.00 C ATOM 665 CG TYR B 25 2.335 5.569 -9.654 1.00 0.00 C ATOM 666 CD1 TYR B 25 3.190 6.454 -9.010 1.00 0.00 C ATOM 667 CD2 TYR B 25 1.890 5.897 -10.927 1.00 0.00 C ATOM 668 CE1 TYR B 25 3.584 7.631 -9.614 1.00 0.00 C ATOM 669 CE2 TYR B 25 2.280 7.074 -11.538 1.00 0.00 C ATOM 670 CZ TYR B 25 3.127 7.937 -10.877 1.00 0.00 C ATOM 671 OH TYR B 25 3.519 9.108 -11.482 1.00 0.00 O ATOM 0 H TYR B 25 2.160 4.720 -6.264 1.00 0.00 H new ATOM 0 HA TYR B 25 0.013 4.959 -8.289 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.801 3.790 -8.581 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.521 3.604 -9.763 1.00 0.00 H new ATOM 0 HD1 TYR B 25 3.552 6.217 -8.021 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.228 5.222 -11.449 1.00 0.00 H new ATOM 0 HE1 TYR B 25 4.248 8.309 -9.098 1.00 0.00 H new ATOM 0 HE2 TYR B 25 1.923 7.316 -12.528 1.00 0.00 H new ATOM 0 HH TYR B 25 3.109 9.171 -12.370 1.00 0.00 H new ATOM 681 N LEU B 26 -0.787 2.652 -7.742 1.00 0.00 N ATOM 682 CA LEU B 26 -1.296 1.351 -7.340 1.00 0.00 C ATOM 683 C LEU B 26 -1.404 0.422 -8.536 1.00 0.00 C ATOM 684 O LEU B 26 -2.144 0.697 -9.481 1.00 0.00 O ATOM 685 CB LEU B 26 -2.657 1.492 -6.659 1.00 0.00 C ATOM 686 CG LEU B 26 -2.735 2.595 -5.609 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.091 2.622 -4.948 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.678 2.421 -4.553 1.00 0.00 C ATOM 0 H LEU B 26 -1.442 3.219 -8.280 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.592 0.919 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.412 1.682 -7.422 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.912 0.543 -6.188 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.568 3.539 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.117 3.418 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.859 2.803 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.278 1.665 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.761 3.223 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.814 1.460 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.692 2.453 -5.016 1.00 0.00 H new ATOM 700 N MET B 27 -0.659 -0.668 -8.492 1.00 0.00 N ATOM 701 CA MET B 27 -0.670 -1.653 -9.559 1.00 0.00 C ATOM 702 C MET B 27 -1.574 -2.809 -9.188 1.00 0.00 C ATOM 703 O MET B 27 -1.924 -2.983 -8.025 1.00 0.00 O ATOM 704 CB MET B 27 0.731 -2.193 -9.848 1.00 0.00 C ATOM 705 CG MET B 27 1.687 -1.168 -10.422 1.00 0.00 C ATOM 706 SD MET B 27 2.297 -0.015 -9.183 1.00 0.00 S ATOM 707 CE MET B 27 3.348 1.007 -10.200 1.00 0.00 C ATOM 0 H MET B 27 -0.032 -0.895 -7.720 1.00 0.00 H new ATOM 0 HA MET B 27 -1.040 -1.156 -10.456 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.153 -2.589 -8.924 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.650 -3.027 -10.545 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.532 -1.682 -10.881 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.184 -0.612 -11.213 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.393 0.795 -9.971 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.156 0.793 -11.251 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.138 2.058 -9.999 1.00 0.00 H new ATOM 717 N ALA B 28 -1.904 -3.607 -10.182 1.00 0.00 N ATOM 718 CA ALA B 28 -2.781 -4.758 -10.024 1.00 0.00 C ATOM 719 C ALA B 28 -2.380 -5.667 -8.860 1.00 0.00 C ATOM 720 O ALA B 28 -3.206 -6.012 -8.017 1.00 0.00 O ATOM 721 CB ALA B 28 -2.793 -5.548 -11.321 1.00 0.00 C ATOM 0 H ALA B 28 -1.569 -3.476 -11.136 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.777 -4.382 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.447 -6.413 -11.214 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.158 -4.915 -12.129 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.782 -5.884 -11.552 1.00 0.00 H new ATOM 727 N GLU B 29 -1.115 -6.050 -8.814 1.00 0.00 N ATOM 728 CA GLU B 29 -0.634 -6.952 -7.779 1.00 0.00 C ATOM 729 C GLU B 29 0.184 -6.250 -6.692 1.00 0.00 C ATOM 730 O GLU B 29 0.559 -6.884 -5.699 1.00 0.00 O ATOM 731 CB GLU B 29 0.218 -8.058 -8.416 1.00 0.00 C ATOM 732 CG GLU B 29 -0.243 -8.471 -9.810 1.00 0.00 C ATOM 733 CD GLU B 29 0.449 -7.695 -10.922 1.00 0.00 C ATOM 734 OE1 GLU B 29 0.256 -6.460 -11.001 1.00 0.00 O ATOM 735 OE2 GLU B 29 1.175 -8.319 -11.717 1.00 0.00 O ATOM 0 H GLU B 29 -0.403 -5.751 -9.480 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.517 -7.368 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.252 -7.719 -8.472 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.204 -8.933 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.056 -9.536 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.320 -8.324 -9.888 1.00 0.00 H new ATOM 742 N ARG B 30 0.437 -4.950 -6.827 1.00 0.00 N ATOM 743 CA ARG B 30 1.254 -4.269 -5.823 1.00 0.00 C ATOM 744 C ARG B 30 1.020 -2.771 -5.796 1.00 0.00 C ATOM 745 O ARG B 30 0.414 -2.206 -6.689 1.00 0.00 O ATOM 746 CB ARG B 30 2.747 -4.526 -6.074 1.00 0.00 C ATOM 747 CG ARG B 30 3.399 -3.529 -7.027 1.00 0.00 C ATOM 748 CD ARG B 30 4.913 -3.564 -6.909 1.00 0.00 C ATOM 749 NE ARG B 30 5.529 -4.182 -8.076 1.00 0.00 N ATOM 750 CZ ARG B 30 6.650 -4.895 -8.046 1.00 0.00 C ATOM 751 NH1 ARG B 30 7.316 -5.051 -6.906 1.00 0.00 N ATOM 752 NH2 ARG B 30 7.117 -5.433 -9.164 1.00 0.00 N ATOM 0 H ARG B 30 0.103 -4.364 -7.592 1.00 0.00 H new ATOM 0 HA ARG B 30 0.954 -4.680 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.275 -4.499 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.869 -5.531 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.106 -3.757 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.038 -2.524 -6.809 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.293 -2.549 -6.791 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.196 -4.116 -6.013 1.00 0.00 H new ATOM 0 HE ARG B 30 5.068 -4.059 -8.978 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.967 -4.622 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.176 -5.599 -6.889 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.616 -5.299 -10.042 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.977 -5.981 -9.146 1.00 0.00 H new ATOM 766 N ILE B 31 1.521 -2.146 -4.751 1.00 0.00 N ATOM 767 CA ILE B 31 1.423 -0.710 -4.582 1.00 0.00 C ATOM 768 C ILE B 31 2.837 -0.135 -4.611 1.00 0.00 C ATOM 769 O ILE B 31 3.714 -0.590 -3.867 1.00 0.00 O ATOM 770 CB ILE B 31 0.690 -0.351 -3.262 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.914 1.121 -2.880 1.00 0.00 C ATOM 772 CG2 ILE B 31 1.101 -1.296 -2.134 1.00 0.00 C ATOM 773 CD1 ILE B 31 2.030 1.349 -1.888 1.00 0.00 C ATOM 0 H ILE B 31 2.010 -2.621 -3.992 1.00 0.00 H new ATOM 0 HA ILE B 31 0.833 -0.277 -5.390 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.380 -0.481 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.128 1.689 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -0.011 1.520 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.573 -1.023 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.848 -2.320 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.176 -1.220 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.117 2.415 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.811 0.812 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.968 0.985 -2.306 1.00 0.00 H new ATOM 785 N ALA B 32 3.072 0.831 -5.485 1.00 0.00 N ATOM 786 CA ALA B 32 4.388 1.435 -5.613 1.00 0.00 C ATOM 787 C ALA B 32 4.309 2.955 -5.569 1.00 0.00 C ATOM 788 O ALA B 32 3.677 3.584 -6.412 1.00 0.00 O ATOM 789 CB ALA B 32 5.061 0.972 -6.897 1.00 0.00 C ATOM 0 H ALA B 32 2.368 1.213 -6.116 1.00 0.00 H new ATOM 0 HA ALA B 32 4.989 1.110 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA B 32 6.045 1.433 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA B 32 5.168 -0.113 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.452 1.264 -7.753 1.00 0.00 H new ATOM 795 N TRP B 33 4.961 3.541 -4.583 1.00 0.00 N ATOM 796 CA TRP B 33 4.968 4.985 -4.425 1.00 0.00 C ATOM 797 C TRP B 33 6.364 5.532 -4.695 1.00 0.00 C ATOM 798 O TRP B 33 7.361 4.987 -4.211 1.00 0.00 O ATOM 799 CB TRP B 33 4.478 5.363 -3.019 1.00 0.00 C ATOM 800 CG TRP B 33 4.653 6.814 -2.662 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.718 7.793 -2.801 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.814 7.449 -2.095 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.219 8.995 -2.377 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.501 8.812 -1.936 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.083 7.005 -1.711 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.407 9.731 -1.413 1.00 0.00 C ATOM 807 CZ3 TRP B 33 7.981 7.919 -1.191 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.639 9.270 -1.046 1.00 0.00 C ATOM 0 H TRP B 33 5.496 3.037 -3.875 1.00 0.00 H new ATOM 0 HA TRP B 33 4.287 5.432 -5.149 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.422 5.107 -2.936 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.011 4.756 -2.288 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.722 7.643 -3.191 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.717 9.883 -2.388 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.357 5.966 -1.819 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.144 10.773 -1.301 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.964 7.586 -0.891 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.363 9.959 -0.637 1.00 0.00 H new ATOM 819 N ALA B 34 6.427 6.596 -5.480 1.00 0.00 N ATOM 820 CA ALA B 34 7.691 7.225 -5.823 1.00 0.00 C ATOM 821 C ALA B 34 7.746 8.635 -5.260 1.00 0.00 C ATOM 822 O ALA B 34 6.774 9.383 -5.353 1.00 0.00 O ATOM 823 CB ALA B 34 7.881 7.252 -7.332 1.00 0.00 C ATOM 0 H ALA B 34 5.610 7.044 -5.894 1.00 0.00 H new ATOM 0 HA ALA B 34 8.499 6.640 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA B 34 8.833 7.727 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA B 34 7.877 6.232 -7.717 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.069 7.816 -7.791 1.00 0.00 H new ATOM 829 N PRO B 35 8.875 9.013 -4.655 1.00 0.00 N ATOM 830 CA PRO B 35 9.051 10.341 -4.081 1.00 0.00 C ATOM 831 C PRO B 35 9.246 11.395 -5.158 1.00 0.00 C ATOM 832 O PRO B 35 9.778 11.104 -6.232 1.00 0.00 O ATOM 833 CB PRO B 35 10.321 10.216 -3.230 1.00 0.00 C ATOM 834 CG PRO B 35 10.694 8.769 -3.250 1.00 0.00 C ATOM 835 CD PRO B 35 10.068 8.186 -4.482 1.00 0.00 C ATOM 0 HA PRO B 35 8.178 10.654 -3.508 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.124 10.831 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.142 10.558 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.777 8.648 -3.270 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.333 8.263 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.733 8.249 -5.343 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.816 7.134 -4.350 1.00 0.00 H new ATOM 843 N GLU B 36 8.831 12.618 -4.863 1.00 0.00 N ATOM 844 CA GLU B 36 8.958 13.712 -5.809 1.00 0.00 C ATOM 845 C GLU B 36 10.426 13.954 -6.139 1.00 0.00 C ATOM 846 O GLU B 36 11.279 13.997 -5.242 1.00 0.00 O ATOM 847 CB GLU B 36 8.319 14.984 -5.247 1.00 0.00 C ATOM 848 CG GLU B 36 8.055 16.043 -6.305 1.00 0.00 C ATOM 849 CD GLU B 36 7.434 15.461 -7.560 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.190 15.450 -7.658 1.00 0.00 O ATOM 851 OE2 GLU B 36 8.198 15.004 -8.440 1.00 0.00 O ATOM 0 H GLU B 36 8.403 12.876 -3.974 1.00 0.00 H new ATOM 0 HA GLU B 36 8.434 13.442 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.379 14.725 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.971 15.401 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU B 36 7.393 16.806 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU B 36 8.991 16.538 -6.562 1.00 0.00 H new ATOM 858 N GLY B 37 10.714 14.090 -7.423 1.00 0.00 N ATOM 859 CA GLY B 37 12.074 14.314 -7.866 1.00 0.00 C ATOM 860 C GLY B 37 12.881 13.031 -7.961 1.00 0.00 C ATOM 861 O GLY B 37 14.098 13.071 -8.132 1.00 0.00 O ATOM 0 H GLY B 37 10.024 14.049 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.058 14.801 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.568 14.998 -7.176 1.00 0.00 H new ATOM 865 N LYS B 38 12.219 11.889 -7.816 1.00 0.00 N ATOM 866 CA LYS B 38 12.897 10.602 -7.903 1.00 0.00 C ATOM 867 C LYS B 38 12.427 9.833 -9.132 1.00 0.00 C ATOM 868 O LYS B 38 11.269 9.931 -9.529 1.00 0.00 O ATOM 869 CB LYS B 38 12.665 9.772 -6.639 1.00 0.00 C ATOM 870 CG LYS B 38 13.840 9.789 -5.669 1.00 0.00 C ATOM 871 CD LYS B 38 13.541 10.628 -4.434 1.00 0.00 C ATOM 872 CE LYS B 38 13.900 12.089 -4.641 1.00 0.00 C ATOM 873 NZ LYS B 38 13.209 12.975 -3.664 1.00 0.00 N ATOM 0 H LYS B 38 11.216 11.828 -7.638 1.00 0.00 H new ATOM 0 HA LYS B 38 13.966 10.792 -7.995 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.778 10.146 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS B 38 12.457 8.741 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.077 8.769 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.722 10.185 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.483 10.546 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.098 10.234 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.978 12.215 -4.545 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.633 12.388 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.791 13.818 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.288 13.265 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 13.065 12.461 -2.771 1.00 0.00 H new ATOM 887 N ASP B 39 13.332 9.065 -9.721 1.00 0.00 N ATOM 888 CA ASP B 39 13.027 8.283 -10.917 1.00 0.00 C ATOM 889 C ASP B 39 12.631 6.852 -10.563 1.00 0.00 C ATOM 890 O ASP B 39 12.347 6.040 -11.447 1.00 0.00 O ATOM 891 CB ASP B 39 14.250 8.238 -11.834 1.00 0.00 C ATOM 892 CG ASP B 39 15.265 7.211 -11.369 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.452 6.191 -12.068 1.00 0.00 O ATOM 894 OD2 ASP B 39 15.855 7.402 -10.283 1.00 0.00 O ATOM 0 H ASP B 39 14.291 8.964 -9.389 1.00 0.00 H new ATOM 0 HA ASP B 39 12.190 8.766 -11.421 1.00 0.00 H new ATOM 0 HB2 ASP B 39 13.934 8.002 -12.850 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.717 9.222 -11.866 1.00 0.00 H new ATOM 899 N ARG B 40 12.612 6.536 -9.280 1.00 0.00 N ATOM 900 CA ARG B 40 12.283 5.188 -8.848 1.00 0.00 C ATOM 901 C ARG B 40 11.335 5.192 -7.659 1.00 0.00 C ATOM 902 O ARG B 40 11.326 6.125 -6.856 1.00 0.00 O ATOM 903 CB ARG B 40 13.560 4.421 -8.489 1.00 0.00 C ATOM 904 CG ARG B 40 14.324 5.015 -7.314 1.00 0.00 C ATOM 905 CD ARG B 40 15.696 5.518 -7.734 1.00 0.00 C ATOM 906 NE ARG B 40 16.627 4.418 -7.997 1.00 0.00 N ATOM 907 CZ ARG B 40 17.439 4.360 -9.058 1.00 0.00 C ATOM 908 NH1 ARG B 40 17.418 5.318 -9.975 1.00 0.00 N ATOM 909 NH2 ARG B 40 18.265 3.328 -9.204 1.00 0.00 N ATOM 0 H ARG B 40 12.819 7.188 -8.524 1.00 0.00 H new ATOM 0 HA ARG B 40 11.779 4.692 -9.678 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.299 3.389 -8.256 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.214 4.396 -9.360 1.00 0.00 H new ATOM 0 HG2 ARG B 40 13.751 5.837 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.435 4.262 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG B 40 15.599 6.132 -8.629 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.103 6.158 -6.951 1.00 0.00 H new ATOM 0 HE ARG B 40 16.658 3.648 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG B 40 16.779 6.107 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG B 40 18.041 5.266 -10.781 1.00 0.00 H new ATOM 0 HH21 ARG B 40 18.278 2.583 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.885 3.282 -10.012 1.00 0.00 H new ATOM 923 N PHE B 41 10.542 4.135 -7.561 1.00 0.00 N ATOM 924 CA PHE B 41 9.599 3.977 -6.468 1.00 0.00 C ATOM 925 C PHE B 41 10.333 3.416 -5.260 1.00 0.00 C ATOM 926 O PHE B 41 10.947 2.353 -5.343 1.00 0.00 O ATOM 927 CB PHE B 41 8.462 3.022 -6.861 1.00 0.00 C ATOM 928 CG PHE B 41 7.807 3.341 -8.177 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.294 2.803 -9.358 1.00 0.00 C ATOM 930 CD2 PHE B 41 6.700 4.171 -8.232 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.691 3.089 -10.567 1.00 0.00 C ATOM 932 CE2 PHE B 41 6.093 4.461 -9.439 1.00 0.00 C ATOM 933 CZ PHE B 41 6.590 3.919 -10.608 1.00 0.00 C ATOM 0 H PHE B 41 10.535 3.368 -8.233 1.00 0.00 H new ATOM 0 HA PHE B 41 9.167 4.949 -6.232 1.00 0.00 H new ATOM 0 HB2 PHE B 41 8.855 2.006 -6.902 1.00 0.00 H new ATOM 0 HB3 PHE B 41 7.703 3.039 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.156 2.152 -9.332 1.00 0.00 H new ATOM 0 HD2 PHE B 41 6.306 4.597 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.081 2.663 -11.480 1.00 0.00 H new ATOM 0 HE2 PHE B 41 5.231 5.111 -9.468 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.117 4.145 -11.553 1.00 0.00 H new ATOM 943 N THR B 42 10.294 4.135 -4.153 1.00 0.00 N ATOM 944 CA THR B 42 10.959 3.686 -2.944 1.00 0.00 C ATOM 945 C THR B 42 10.041 2.770 -2.145 1.00 0.00 C ATOM 946 O THR B 42 10.491 1.997 -1.301 1.00 0.00 O ATOM 947 CB THR B 42 11.392 4.882 -2.082 1.00 0.00 C ATOM 948 OG1 THR B 42 10.383 5.898 -2.130 1.00 0.00 O ATOM 949 CG2 THR B 42 12.715 5.447 -2.575 1.00 0.00 C ATOM 0 H THR B 42 9.811 5.029 -4.066 1.00 0.00 H new ATOM 0 HA THR B 42 11.851 3.129 -3.233 1.00 0.00 H new ATOM 0 HB THR B 42 11.522 4.544 -1.054 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.736 5.751 -1.409 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.004 6.293 -1.952 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.483 4.676 -2.519 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.607 5.778 -3.608 1.00 0.00 H new ATOM 957 N ILE B 43 8.748 2.866 -2.425 1.00 0.00 N ATOM 958 CA ILE B 43 7.759 2.044 -1.754 1.00 0.00 C ATOM 959 C ILE B 43 7.214 1.003 -2.719 1.00 0.00 C ATOM 960 O ILE B 43 6.522 1.344 -3.673 1.00 0.00 O ATOM 961 CB ILE B 43 6.582 2.886 -1.211 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.084 3.948 -0.228 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.547 1.990 -0.546 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.748 3.377 1.006 1.00 0.00 C ATOM 0 H ILE B 43 8.362 3.509 -3.116 1.00 0.00 H new ATOM 0 HA ILE B 43 8.254 1.562 -0.911 1.00 0.00 H new ATOM 0 HB ILE B 43 6.109 3.394 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.792 4.598 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.244 4.571 0.079 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.726 2.600 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.164 1.275 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.009 1.453 0.282 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.076 4.191 1.652 1.00 0.00 H new ATOM 0 HD12 ILE B 43 7.037 2.750 1.544 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.610 2.778 0.711 1.00 0.00 H new ATOM 976 N SER B 44 7.548 -0.252 -2.484 1.00 0.00 N ATOM 977 CA SER B 44 7.078 -1.336 -3.326 1.00 0.00 C ATOM 978 C SER B 44 6.666 -2.508 -2.453 1.00 0.00 C ATOM 979 O SER B 44 7.506 -3.251 -1.948 1.00 0.00 O ATOM 980 CB SER B 44 8.166 -1.755 -4.321 1.00 0.00 C ATOM 981 OG SER B 44 7.629 -2.534 -5.380 1.00 0.00 O ATOM 0 H SER B 44 8.146 -0.547 -1.712 1.00 0.00 H new ATOM 0 HA SER B 44 6.215 -0.998 -3.899 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.649 -0.867 -4.729 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.936 -2.326 -3.802 1.00 0.00 H new ATOM 0 HG SER B 44 7.866 -2.126 -6.239 1.00 0.00 H new ATOM 987 N HIS B 45 5.365 -2.651 -2.260 1.00 0.00 N ATOM 988 CA HIS B 45 4.831 -3.726 -1.439 1.00 0.00 C ATOM 989 C HIS B 45 3.747 -4.465 -2.193 1.00 0.00 C ATOM 990 O HIS B 45 2.985 -3.861 -2.952 1.00 0.00 O ATOM 991 CB HIS B 45 4.255 -3.179 -0.127 1.00 0.00 C ATOM 992 CG HIS B 45 5.263 -2.507 0.756 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.687 -1.219 0.768 1.00 0.00 N flip ATOM 994 CD2 HIS B 45 5.954 -3.143 1.762 1.00 0.00 C flip ATOM 995 CE1 HIS B 45 6.636 -1.057 1.772 1.00 0.00 C flip ATOM 996 NE2 HIS B 45 6.760 -2.242 2.340 1.00 0.00 N flip ATOM 0 H HIS B 45 4.658 -2.035 -2.661 1.00 0.00 H new ATOM 0 HA HIS B 45 5.647 -4.410 -1.205 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.462 -2.468 -0.360 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.796 -3.999 0.425 1.00 0.00 H new ATOM 0 HD2 HIS B 45 5.863 -4.183 2.037 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.162 -0.150 2.033 1.00 0.00 H new ATOM 0 HE2 HIS B 45 7.388 -2.445 3.118 1.00 0.00 H new ATOM 1004 N MET B 46 3.679 -5.765 -1.990 1.00 0.00 N ATOM 1005 CA MET B 46 2.675 -6.574 -2.647 1.00 0.00 C ATOM 1006 C MET B 46 1.425 -6.601 -1.786 1.00 0.00 C ATOM 1007 O MET B 46 1.511 -6.609 -0.562 1.00 0.00 O ATOM 1008 CB MET B 46 3.181 -8.001 -2.885 1.00 0.00 C ATOM 1009 CG MET B 46 4.567 -8.072 -3.511 1.00 0.00 C ATOM 1010 SD MET B 46 4.643 -7.316 -5.149 1.00 0.00 S ATOM 1011 CE MET B 46 3.592 -8.419 -6.093 1.00 0.00 C ATOM 0 H MET B 46 4.307 -6.283 -1.375 1.00 0.00 H new ATOM 0 HA MET B 46 2.450 -6.136 -3.619 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.196 -8.533 -1.934 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.475 -8.523 -3.531 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.282 -7.575 -2.855 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.873 -9.116 -3.584 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.123 -8.753 -6.985 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.329 -9.283 -5.482 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.684 -7.893 -6.387 1.00 0.00 H new ATOM 1021 N TYR B 47 0.268 -6.606 -2.424 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.009 -6.634 -1.710 1.00 0.00 C ATOM 1023 C TYR B 47 -1.133 -7.909 -0.878 1.00 0.00 C ATOM 1024 O TYR B 47 -1.917 -7.975 0.064 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.151 -6.539 -2.717 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.178 -5.218 -3.449 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.723 -5.116 -4.717 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -1.649 -4.070 -2.867 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.741 -3.910 -5.384 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -1.666 -2.861 -3.530 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.213 -2.788 -4.790 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.231 -1.590 -5.463 1.00 0.00 O ATOM 0 H TYR B 47 0.180 -6.591 -3.440 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.057 -5.784 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.059 -7.349 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.099 -6.681 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.140 -5.993 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.218 -4.127 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.170 -3.846 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.253 -1.979 -3.064 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.133 -1.753 -6.424 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.327 -8.907 -1.219 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.338 -10.180 -0.515 1.00 0.00 C ATOM 1044 C ALA B 48 0.342 -10.072 0.847 1.00 0.00 C ATOM 1045 O ALA B 48 0.192 -10.957 1.684 1.00 0.00 O ATOM 1046 CB ALA B 48 0.335 -11.251 -1.360 1.00 0.00 C ATOM 0 H ALA B 48 0.346 -8.857 -1.984 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.377 -10.461 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.321 -12.200 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.200 -11.360 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.367 -10.962 -1.559 1.00 0.00 H new ATOM 1052 N ASP B 49 1.089 -8.987 1.052 1.00 0.00 N ATOM 1053 CA ASP B 49 1.792 -8.755 2.305 1.00 0.00 C ATOM 1054 C ASP B 49 1.083 -7.677 3.106 1.00 0.00 C ATOM 1055 O ASP B 49 1.453 -7.384 4.248 1.00 0.00 O ATOM 1056 CB ASP B 49 3.217 -8.277 2.079 1.00 0.00 C ATOM 1057 CG ASP B 49 3.852 -8.769 0.789 1.00 0.00 C ATOM 1058 OD1 ASP B 49 3.885 -9.995 0.557 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.328 -7.913 0.003 1.00 0.00 O ATOM 0 H ASP B 49 1.221 -8.252 0.357 1.00 0.00 H new ATOM 0 HA ASP B 49 1.806 -9.707 2.836 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.225 -7.187 2.080 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.832 -8.601 2.918 1.00 0.00 H new ATOM 1064 N ILE B 50 0.074 -7.069 2.509 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.668 -6.030 3.193 1.00 0.00 C ATOM 1066 C ILE B 50 -1.829 -6.679 3.935 1.00 0.00 C ATOM 1067 O ILE B 50 -2.589 -7.448 3.351 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.217 -4.961 2.223 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.255 -4.718 1.051 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.488 -3.663 2.969 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.938 -3.848 1.384 1.00 0.00 C ATOM 0 H ILE B 50 -0.247 -7.275 1.563 1.00 0.00 H new ATOM 0 HA ILE B 50 0.010 -5.524 3.880 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.154 -5.333 1.809 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.104 -5.681 0.688 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.809 -4.255 0.234 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.875 -2.918 2.274 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.222 -3.841 3.755 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.562 -3.299 3.413 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.562 -3.731 0.498 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.593 -2.869 1.717 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.520 -4.317 2.178 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.967 -6.371 5.209 1.00 0.00 N ATOM 1084 CA LYS B 51 -3.020 -6.951 6.020 1.00 0.00 C ATOM 1085 C LYS B 51 -4.285 -6.131 5.882 1.00 0.00 C ATOM 1086 O LYS B 51 -5.394 -6.656 5.940 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.601 -6.993 7.485 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.550 -7.794 8.353 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.635 -7.226 9.748 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.616 -6.064 9.810 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.169 -5.856 11.174 1.00 0.00 N ATOM 0 H LYS B 51 -1.361 -5.720 5.707 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.204 -7.968 5.674 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.602 -7.422 7.558 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.540 -5.974 7.868 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.542 -7.800 7.900 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.215 -8.830 8.401 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.947 -8.006 10.443 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.649 -6.890 10.068 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.116 -5.153 9.482 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.435 -6.247 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.709 -4.967 11.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.796 -6.649 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.390 -5.806 11.861 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.096 -4.831 5.714 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.191 -3.901 5.569 1.00 0.00 C ATOM 1107 C CYS B 52 -4.622 -2.512 5.356 1.00 0.00 C ATOM 1108 O CYS B 52 -3.405 -2.337 5.300 1.00 0.00 O ATOM 1109 CB CYS B 52 -6.060 -3.911 6.824 1.00 0.00 C ATOM 1110 SG CYS B 52 -5.232 -3.265 8.293 1.00 0.00 S ATOM 0 H CYS B 52 -3.174 -4.396 5.675 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.806 -4.190 4.717 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.958 -3.322 6.637 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.384 -4.933 7.021 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.002 -3.421 9.329 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.483 -1.527 5.241 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.026 -0.171 5.071 1.00 0.00 C ATOM 1118 C GLN B 53 -5.811 0.761 5.983 1.00 0.00 C ATOM 1119 O GLN B 53 -7.008 0.577 6.182 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.143 0.283 3.612 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.560 0.611 3.154 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.352 -0.616 2.753 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -6.793 -1.603 2.291 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.663 -0.558 2.919 1.00 0.00 N ATOM 0 H GLN B 53 -6.497 -1.640 5.262 1.00 0.00 H new ATOM 0 HA GLN B 53 -3.971 -0.133 5.343 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.517 1.164 3.470 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.741 -0.500 2.969 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.085 1.129 3.957 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.513 1.298 2.309 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.091 0.282 3.307 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.246 -1.354 2.659 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.134 1.737 6.563 1.00 0.00 N ATOM 1134 CA LYS B 54 -5.800 2.700 7.423 1.00 0.00 C ATOM 1135 C LYS B 54 -5.999 3.987 6.654 1.00 0.00 C ATOM 1136 O LYS B 54 -5.170 4.349 5.827 1.00 0.00 O ATOM 1137 CB LYS B 54 -4.980 3.058 8.664 1.00 0.00 C ATOM 1138 CG LYS B 54 -4.941 2.042 9.788 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.366 2.709 11.031 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.149 1.765 12.201 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.321 0.587 11.828 1.00 0.00 N ATOM 0 H LYS B 54 -4.130 1.883 6.455 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.738 2.241 7.737 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -3.955 3.250 8.347 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.369 3.993 9.068 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -5.943 1.665 9.991 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.330 1.186 9.502 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.415 3.174 10.773 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.037 3.509 11.344 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.665 2.304 13.015 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.115 1.424 12.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -2.891 0.181 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -3.921 -0.128 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.572 0.884 11.171 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.091 4.666 6.908 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.336 5.941 6.278 1.00 0.00 C ATOM 1157 C ILE B 55 -7.565 6.957 7.387 1.00 0.00 C ATOM 1158 O ILE B 55 -8.314 6.694 8.330 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.523 5.914 5.271 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.864 6.264 5.921 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.624 4.544 4.616 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.826 6.932 4.959 1.00 0.00 C ATOM 0 H ILE B 55 -7.824 4.357 7.546 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.470 6.212 5.674 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.313 6.678 4.522 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.321 5.355 6.312 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.690 6.924 6.770 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.458 4.537 3.914 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.699 4.327 4.083 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.788 3.786 5.382 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.759 7.157 5.475 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.385 7.857 4.587 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.026 6.263 4.122 1.00 0.00 H new ATOM 1174 N SER B 56 -6.864 8.073 7.334 1.00 0.00 N ATOM 1175 CA SER B 56 -7.023 9.081 8.353 1.00 0.00 C ATOM 1176 C SER B 56 -8.116 10.036 7.914 1.00 0.00 C ATOM 1177 O SER B 56 -8.004 10.695 6.857 1.00 0.00 O ATOM 1178 CB SER B 56 -5.708 9.805 8.648 1.00 0.00 C ATOM 1179 OG SER B 56 -5.544 10.958 7.851 1.00 0.00 O ATOM 0 H SER B 56 -6.188 8.299 6.604 1.00 0.00 H new ATOM 0 HA SER B 56 -7.314 8.609 9.291 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.678 10.086 9.701 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.874 9.125 8.476 1.00 0.00 H new ATOM 0 HG SER B 56 -4.887 11.554 8.269 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.186 10.067 8.722 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.396 10.865 8.492 1.00 0.00 C ATOM 1187 C PRO B 57 -10.193 12.366 8.619 1.00 0.00 C ATOM 1188 O PRO B 57 -9.117 12.848 8.988 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.347 10.384 9.592 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.447 9.925 10.681 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.274 9.311 9.986 1.00 0.00 C ATOM 0 HA PRO B 57 -10.755 10.727 7.472 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.003 11.187 9.930 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.988 9.576 9.239 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.139 10.757 11.314 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.946 9.202 11.326 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.362 9.408 10.576 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.426 8.247 9.807 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.246 13.090 8.270 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.270 14.536 8.345 1.00 0.00 C ATOM 1201 C GLU B 58 -11.066 14.989 9.788 1.00 0.00 C ATOM 1202 O GLU B 58 -11.284 14.228 10.731 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.595 15.077 7.792 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.732 14.954 6.276 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.585 13.527 5.778 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -13.171 12.615 6.393 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -11.860 13.313 4.785 1.00 0.00 O ATOM 0 H GLU B 58 -12.115 12.682 7.924 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.457 14.934 7.737 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.419 14.544 8.265 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.692 16.126 8.071 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.705 15.340 5.973 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.978 15.579 5.797 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.672 16.235 9.949 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.399 16.772 11.264 1.00 0.00 C ATOM 1216 C GLY B 59 -8.930 17.084 11.383 1.00 0.00 C ATOM 1217 O GLY B 59 -8.525 17.990 12.107 1.00 0.00 O ATOM 0 H GLY B 59 -10.534 16.895 9.184 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.988 17.674 11.430 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.693 16.054 12.030 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.139 16.324 10.641 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.707 16.530 10.584 1.00 0.00 C ATOM 1223 C LYS B 60 -6.424 17.538 9.495 1.00 0.00 C ATOM 1224 O LYS B 60 -7.200 17.668 8.547 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.965 15.221 10.281 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.569 14.434 11.517 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.653 13.261 11.175 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.028 12.654 12.425 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.744 13.061 13.662 1.00 0.00 N ATOM 0 H LYS B 60 -8.473 15.551 10.065 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.357 16.891 11.551 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.597 14.595 9.651 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.068 15.449 9.705 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.065 15.095 12.222 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.465 14.062 12.013 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.222 12.497 10.644 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.866 13.598 10.501 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.036 11.567 12.343 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.984 12.960 12.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.446 12.453 14.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.518 14.052 13.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.769 12.964 13.518 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.331 18.258 9.634 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.950 19.248 8.645 1.00 0.00 C ATOM 1245 C ALA B 61 -4.614 18.577 7.333 1.00 0.00 C ATOM 1246 O ALA B 61 -4.623 19.204 6.276 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.763 20.039 9.134 1.00 0.00 C ATOM 0 H ALA B 61 -4.689 18.177 10.423 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.790 19.925 8.490 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.485 20.779 8.384 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -4.021 20.544 10.065 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.924 19.366 9.307 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.314 17.296 7.414 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.971 16.539 6.241 1.00 0.00 C ATOM 1255 C LYS B 62 -4.677 15.193 6.238 1.00 0.00 C ATOM 1256 O LYS B 62 -4.871 14.577 7.286 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.460 16.334 6.147 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.710 16.540 7.455 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.702 15.281 8.302 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.400 15.144 9.070 1.00 0.00 C ATOM 1261 NZ LYS B 62 -0.119 16.335 9.915 1.00 0.00 N ATOM 0 H LYS B 62 -4.303 16.763 8.284 1.00 0.00 H new ATOM 0 HA LYS B 62 -4.301 17.108 5.372 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.265 15.324 5.787 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -2.059 17.021 5.402 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.684 16.842 7.243 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -2.172 17.353 8.015 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -2.538 15.304 9.000 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.844 14.409 7.663 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.443 14.256 9.700 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.421 14.997 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.638 16.110 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.182 17.126 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.979 16.603 10.434 1.00 0.00 H new ATOM 1275 N ILE B 63 -5.064 14.757 5.058 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.727 13.477 4.883 1.00 0.00 C ATOM 1277 C ILE B 63 -4.653 12.403 4.755 1.00 0.00 C ATOM 1278 O ILE B 63 -3.615 12.657 4.155 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.633 13.511 3.633 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.855 14.394 3.896 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.066 12.116 3.227 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.673 15.839 3.477 1.00 0.00 C ATOM 0 H ILE B 63 -4.929 15.278 4.192 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.364 13.257 5.740 1.00 0.00 H new ATOM 0 HB ILE B 63 -6.058 13.933 2.809 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.712 13.978 3.366 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.092 14.362 4.960 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.702 12.175 2.344 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.186 11.513 3.001 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.621 11.655 4.044 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.582 16.399 3.696 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.838 16.274 4.026 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.468 15.885 2.407 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.862 11.215 5.314 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.808 10.194 5.245 1.00 0.00 C ATOM 1296 C GLN B 64 -4.320 8.788 5.014 1.00 0.00 C ATOM 1297 O GLN B 64 -5.506 8.499 5.150 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.977 10.158 6.522 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.258 11.442 6.868 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.604 11.344 8.224 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.170 10.503 9.088 1.00 0.00 O flip ATOM 1302 NE2 GLN B 64 -0.600 12.002 8.495 1.00 0.00 N flip ATOM 0 H GLN B 64 -5.713 10.937 5.802 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.209 10.496 4.386 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.631 9.893 7.353 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.238 9.362 6.432 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.504 11.657 6.111 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.964 12.273 6.859 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -0.202 12.634 7.800 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -0.166 11.915 9.414 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.392 7.936 4.613 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.643 6.530 4.396 1.00 0.00 C ATOM 1313 C LEU B 65 -2.420 5.752 4.875 1.00 0.00 C ATOM 1314 O LEU B 65 -1.340 6.311 4.921 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.840 6.244 2.918 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.680 5.017 2.604 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.139 5.400 2.448 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.152 4.322 1.370 1.00 0.00 C ATOM 0 H LEU B 65 -2.428 8.211 4.427 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.542 6.237 4.938 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.307 7.113 2.455 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.861 6.123 2.454 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.610 4.316 3.436 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.727 4.510 2.223 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.499 5.848 3.374 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.242 6.118 1.634 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.763 3.445 1.157 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.191 5.006 0.522 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.121 4.013 1.540 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.572 4.502 5.279 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.413 3.721 5.705 1.00 0.00 C ATOM 1332 C GLN B 66 -1.593 2.254 5.347 1.00 0.00 C ATOM 1333 O GLN B 66 -2.704 1.733 5.363 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.138 3.870 7.210 1.00 0.00 C ATOM 1335 CG GLN B 66 -1.834 2.838 8.080 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.383 2.866 9.532 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.378 1.839 10.211 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.029 4.037 10.032 1.00 0.00 N ATOM 0 H GLN B 66 -3.465 4.010 5.323 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.548 4.114 5.171 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.063 3.804 7.379 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.450 4.865 7.527 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -2.910 3.006 8.039 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.650 1.845 7.670 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.044 4.869 9.442 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.740 4.109 11.008 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.496 1.604 5.019 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.505 0.200 4.668 1.00 0.00 C ATOM 1349 C LEU B 67 -0.128 -0.642 5.872 1.00 0.00 C ATOM 1350 O LEU B 67 1.028 -0.674 6.275 1.00 0.00 O ATOM 1351 CB LEU B 67 0.481 -0.073 3.539 1.00 0.00 C ATOM 1352 CG LEU B 67 0.082 0.469 2.172 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.137 0.104 1.146 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.278 -0.070 1.755 1.00 0.00 C ATOM 0 H LEU B 67 0.428 2.035 4.988 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.510 -0.063 4.339 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.446 0.354 3.812 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.622 -1.151 3.456 1.00 0.00 H new ATOM 0 HG LEU B 67 0.009 1.555 2.233 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.846 0.494 0.171 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.094 0.536 1.439 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.230 -0.981 1.090 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.543 0.330 0.776 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.238 -1.158 1.704 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.029 0.232 2.486 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.101 -1.312 6.444 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.862 -2.157 7.596 1.00 0.00 C ATOM 1368 C VAL B 68 -0.568 -3.564 7.122 1.00 0.00 C ATOM 1369 O VAL B 68 -1.360 -4.148 6.396 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.075 -2.164 8.534 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.728 -2.825 9.853 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.564 -0.747 8.757 1.00 0.00 C ATOM 0 H VAL B 68 -2.071 -1.289 6.130 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.010 -1.765 8.151 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.874 -2.741 8.069 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.602 -2.819 10.504 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.416 -3.854 9.673 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.916 -2.278 10.332 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.426 -0.760 9.424 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.767 -0.153 9.205 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.851 -0.307 7.802 1.00 0.00 H new ATOM 1382 N LEU B 69 0.567 -4.103 7.516 1.00 0.00 N ATOM 1383 CA LEU B 69 0.959 -5.431 7.074 1.00 0.00 C ATOM 1384 C LEU B 69 0.861 -6.457 8.188 1.00 0.00 C ATOM 1385 O LEU B 69 0.976 -6.125 9.369 1.00 0.00 O ATOM 1386 CB LEU B 69 2.392 -5.397 6.551 1.00 0.00 C ATOM 1387 CG LEU B 69 2.780 -4.108 5.835 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.241 -4.129 5.458 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.934 -3.906 4.600 1.00 0.00 C ATOM 0 H LEU B 69 1.234 -3.647 8.139 1.00 0.00 H new ATOM 0 HA LEU B 69 0.270 -5.727 6.282 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.073 -5.551 7.388 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.534 -6.233 5.867 1.00 0.00 H new ATOM 0 HG LEU B 69 2.604 -3.278 6.519 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.499 -3.201 4.948 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.848 -4.229 6.358 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.434 -4.973 4.795 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.228 -2.980 4.105 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.079 -4.744 3.918 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.883 -3.848 4.884 1.00 0.00 H new ATOM 1401 N HIS B 70 0.667 -7.713 7.799 1.00 0.00 N ATOM 1402 CA HIS B 70 0.590 -8.814 8.757 1.00 0.00 C ATOM 1403 C HIS B 70 1.993 -9.146 9.243 1.00 0.00 C ATOM 1404 O HIS B 70 2.191 -9.968 10.132 1.00 0.00 O ATOM 1405 CB HIS B 70 -0.061 -10.064 8.139 1.00 0.00 C ATOM 1406 CG HIS B 70 0.017 -10.118 6.643 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -1.038 -9.818 5.817 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.062 -10.402 5.817 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.608 -9.911 4.559 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.651 -10.274 4.513 1.00 0.00 N ATOM 0 H HIS B 70 0.560 -7.996 6.825 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.035 -8.500 9.593 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.420 -10.952 8.550 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.108 -10.101 8.439 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.982 -9.569 6.113 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.055 -10.683 6.136 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.218 -9.713 3.690 1.00 0.00 H new ATOM 1418 N ALA B 71 2.961 -8.474 8.631 1.00 0.00 N ATOM 1419 CA ALA B 71 4.364 -8.637 8.961 1.00 0.00 C ATOM 1420 C ALA B 71 4.707 -7.876 10.238 1.00 0.00 C ATOM 1421 O ALA B 71 5.826 -7.955 10.740 1.00 0.00 O ATOM 1422 CB ALA B 71 5.214 -8.138 7.802 1.00 0.00 C ATOM 0 H ALA B 71 2.789 -7.797 7.888 1.00 0.00 H new ATOM 0 HA ALA B 71 4.571 -9.693 9.132 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.269 -8.259 8.046 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.981 -8.713 6.906 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.002 -7.084 7.622 1.00 0.00 H new ATOM 1428 N GLY B 72 3.727 -7.141 10.757 1.00 0.00 N ATOM 1429 CA GLY B 72 3.938 -6.363 11.961 1.00 0.00 C ATOM 1430 C GLY B 72 4.491 -4.992 11.644 1.00 0.00 C ATOM 1431 O GLY B 72 5.075 -4.331 12.501 1.00 0.00 O ATOM 0 H GLY B 72 2.789 -7.072 10.362 1.00 0.00 H new ATOM 0 HA2 GLY B 72 2.996 -6.261 12.500 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.627 -6.891 12.621 1.00 0.00 H new ATOM 1435 N ASP B 73 4.293 -4.568 10.403 1.00 0.00 N ATOM 1436 CA ASP B 73 4.783 -3.274 9.942 1.00 0.00 C ATOM 1437 C ASP B 73 3.647 -2.458 9.335 1.00 0.00 C ATOM 1438 O ASP B 73 2.608 -3.010 8.964 1.00 0.00 O ATOM 1439 CB ASP B 73 5.906 -3.473 8.917 1.00 0.00 C ATOM 1440 CG ASP B 73 6.434 -2.162 8.364 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.525 -2.033 7.127 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.735 -1.258 9.171 1.00 0.00 O ATOM 0 H ASP B 73 3.794 -5.104 9.693 1.00 0.00 H new ATOM 0 HA ASP B 73 5.180 -2.726 10.796 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.724 -4.022 9.383 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.538 -4.087 8.095 1.00 0.00 H new ATOM 1447 N THR B 74 3.846 -1.151 9.247 1.00 0.00 N ATOM 1448 CA THR B 74 2.852 -0.253 8.687 1.00 0.00 C ATOM 1449 C THR B 74 3.537 0.838 7.860 1.00 0.00 C ATOM 1450 O THR B 74 4.482 1.475 8.321 1.00 0.00 O ATOM 1451 CB THR B 74 2.015 0.413 9.800 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.875 0.897 10.839 1.00 0.00 O ATOM 1453 CG2 THR B 74 1.013 -0.564 10.390 1.00 0.00 C ATOM 0 H THR B 74 4.698 -0.687 9.561 1.00 0.00 H new ATOM 0 HA THR B 74 2.191 -0.842 8.052 1.00 0.00 H new ATOM 0 HB THR B 74 1.470 1.246 9.356 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.716 1.212 10.447 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.438 -0.068 11.171 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.338 -0.911 9.607 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.543 -1.416 10.816 1.00 0.00 H new ATOM 1461 N THR B 75 3.049 1.054 6.652 1.00 0.00 N ATOM 1462 CA THR B 75 3.601 2.065 5.762 1.00 0.00 C ATOM 1463 C THR B 75 2.614 3.220 5.603 1.00 0.00 C ATOM 1464 O THR B 75 1.627 3.095 4.884 1.00 0.00 O ATOM 1465 CB THR B 75 3.898 1.451 4.381 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.593 0.208 4.536 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.726 2.399 3.527 1.00 0.00 C ATOM 0 H THR B 75 2.262 0.537 6.259 1.00 0.00 H new ATOM 0 HA THR B 75 4.528 2.440 6.195 1.00 0.00 H new ATOM 0 HB THR B 75 2.947 1.276 3.877 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.776 -0.176 3.653 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.921 1.940 2.558 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.179 3.331 3.384 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.672 2.607 4.027 1.00 0.00 H new ATOM 1475 N ASN B 76 2.875 4.346 6.256 1.00 0.00 N ATOM 1476 CA ASN B 76 1.952 5.478 6.183 1.00 0.00 C ATOM 1477 C ASN B 76 2.161 6.311 4.925 1.00 0.00 C ATOM 1478 O ASN B 76 3.244 6.323 4.340 1.00 0.00 O ATOM 1479 CB ASN B 76 2.067 6.366 7.425 1.00 0.00 C ATOM 1480 CG ASN B 76 1.541 5.693 8.678 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.464 4.468 8.754 1.00 0.00 O ATOM 1482 ND2 ASN B 76 1.182 6.483 9.676 1.00 0.00 N ATOM 0 H ASN B 76 3.702 4.502 6.833 1.00 0.00 H new ATOM 0 HA ASN B 76 0.947 5.058 6.141 1.00 0.00 H new ATOM 0 HB2 ASN B 76 3.111 6.639 7.576 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.517 7.292 7.257 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.828 6.080 10.543 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.259 7.495 9.578 1.00 0.00 H new ATOM 1489 N PHE B 77 1.087 6.969 4.512 1.00 0.00 N ATOM 1490 CA PHE B 77 1.066 7.828 3.339 1.00 0.00 C ATOM 1491 C PHE B 77 0.236 9.078 3.626 1.00 0.00 C ATOM 1492 O PHE B 77 -0.987 9.004 3.778 1.00 0.00 O ATOM 1493 CB PHE B 77 0.457 7.094 2.140 1.00 0.00 C ATOM 1494 CG PHE B 77 1.334 6.025 1.563 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.456 6.359 0.826 1.00 0.00 C ATOM 1496 CD2 PHE B 77 1.031 4.686 1.747 1.00 0.00 C ATOM 1497 CE1 PHE B 77 3.260 5.379 0.283 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.833 3.701 1.207 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.949 4.050 0.473 1.00 0.00 C ATOM 0 H PHE B 77 0.189 6.919 4.993 1.00 0.00 H new ATOM 0 HA PHE B 77 2.093 8.107 3.104 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.489 6.647 2.445 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.229 7.821 1.361 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.705 7.399 0.674 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.158 4.410 2.319 1.00 0.00 H new ATOM 0 HE1 PHE B 77 4.133 5.653 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.588 2.660 1.358 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.578 3.282 0.048 1.00 0.00 H new ATOM 1509 N HIS B 78 0.898 10.213 3.700 1.00 0.00 N ATOM 1510 CA HIS B 78 0.235 11.480 3.958 1.00 0.00 C ATOM 1511 C HIS B 78 -0.245 12.080 2.636 1.00 0.00 C ATOM 1512 O HIS B 78 0.551 12.471 1.793 1.00 0.00 O ATOM 1513 CB HIS B 78 1.219 12.414 4.703 1.00 0.00 C ATOM 1514 CG HIS B 78 0.888 13.892 4.733 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.630 14.818 5.437 1.00 0.00 N ATOM 1516 CD2 HIS B 78 -0.086 14.608 4.111 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.102 16.027 5.221 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.061 15.956 4.422 1.00 0.00 N ATOM 0 H HIS B 78 1.909 10.287 3.584 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.642 11.340 4.590 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.300 12.066 5.733 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.203 12.298 4.249 1.00 0.00 H new ATOM 0 HD1 HIS B 78 2.441 14.615 6.021 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.854 14.195 3.474 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.482 16.943 5.648 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.554 12.135 2.458 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.140 12.701 1.253 1.00 0.00 C ATOM 1528 C PHE B 79 -2.075 14.225 1.326 1.00 0.00 C ATOM 1529 O PHE B 79 -2.968 14.869 1.879 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.592 12.242 1.104 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.753 10.916 0.418 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.517 9.725 1.090 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.157 10.863 -0.901 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.684 8.508 0.449 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.322 9.654 -1.542 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.089 8.476 -0.872 1.00 0.00 C ATOM 0 H PHE B 79 -2.235 11.793 3.136 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.579 12.357 0.385 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.046 12.184 2.093 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.144 12.997 0.544 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.200 9.747 2.122 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.346 11.781 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.498 7.586 0.981 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.636 9.632 -2.575 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.222 7.530 -1.376 1.00 0.00 H new ATOM 1546 N SER B 80 -1.010 14.795 0.781 1.00 0.00 N ATOM 1547 CA SER B 80 -0.809 16.236 0.814 1.00 0.00 C ATOM 1548 C SER B 80 -1.374 16.935 -0.423 1.00 0.00 C ATOM 1549 O SER B 80 -1.133 18.124 -0.628 1.00 0.00 O ATOM 1550 CB SER B 80 0.686 16.541 0.964 1.00 0.00 C ATOM 1551 OG SER B 80 1.479 15.521 0.372 1.00 0.00 O ATOM 0 H SER B 80 -0.268 14.278 0.308 1.00 0.00 H new ATOM 0 HA SER B 80 -1.356 16.627 1.672 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.913 17.499 0.497 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.937 16.634 2.021 1.00 0.00 H new ATOM 0 HG SER B 80 2.162 15.929 -0.200 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.117 16.210 -1.250 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.708 16.803 -2.448 1.00 0.00 C ATOM 1559 C ASN B 81 -4.032 17.476 -2.105 1.00 0.00 C ATOM 1560 O ASN B 81 -5.086 16.850 -2.136 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.917 15.755 -3.543 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.458 16.365 -4.827 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.200 17.527 -5.140 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -4.219 15.588 -5.574 1.00 0.00 N ATOM 0 H ASN B 81 -2.325 15.220 -1.117 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.014 17.553 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.971 15.256 -3.751 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.609 14.992 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -4.615 15.946 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -4.411 14.630 -5.282 1.00 0.00 H new ATOM 1571 N GLU B 82 -3.960 18.764 -1.810 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.120 19.566 -1.422 1.00 0.00 C ATOM 1573 C GLU B 82 -6.300 19.404 -2.387 1.00 0.00 C ATOM 1574 O GLU B 82 -7.462 19.468 -1.979 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.715 21.044 -1.344 1.00 0.00 C ATOM 1576 CG GLU B 82 -3.511 21.313 -0.443 1.00 0.00 C ATOM 1577 CD GLU B 82 -2.176 21.239 -1.174 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.094 20.565 -2.226 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -1.192 21.832 -0.688 1.00 0.00 O ATOM 0 H GLU B 82 -3.088 19.292 -1.832 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.452 19.209 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -4.491 21.402 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -5.564 21.624 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -3.616 22.301 0.005 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -3.510 20.591 0.373 1.00 0.00 H new ATOM 1586 N SER B 83 -5.996 19.179 -3.655 1.00 0.00 N ATOM 1587 CA SER B 83 -7.014 19.037 -4.685 1.00 0.00 C ATOM 1588 C SER B 83 -7.926 17.821 -4.491 1.00 0.00 C ATOM 1589 O SER B 83 -9.147 17.968 -4.344 1.00 0.00 O ATOM 1590 CB SER B 83 -6.323 18.952 -6.046 1.00 0.00 C ATOM 1591 OG SER B 83 -5.027 19.530 -5.988 1.00 0.00 O ATOM 0 H SER B 83 -5.040 19.090 -3.999 1.00 0.00 H new ATOM 0 HA SER B 83 -7.661 19.911 -4.620 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.248 17.910 -6.357 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.923 19.467 -6.797 1.00 0.00 H new ATOM 0 HG SER B 83 -4.369 18.836 -5.773 1.00 0.00 H new ATOM 1597 N THR B 84 -7.364 16.624 -4.491 1.00 0.00 N ATOM 1598 CA THR B 84 -8.189 15.433 -4.387 1.00 0.00 C ATOM 1599 C THR B 84 -7.773 14.450 -3.293 1.00 0.00 C ATOM 1600 O THR B 84 -8.276 13.339 -3.281 1.00 0.00 O ATOM 1601 CB THR B 84 -8.222 14.735 -5.756 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.895 14.634 -6.285 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.079 15.538 -6.722 1.00 0.00 C ATOM 0 H THR B 84 -6.361 16.452 -4.560 1.00 0.00 H new ATOM 0 HA THR B 84 -9.182 15.769 -4.088 1.00 0.00 H new ATOM 0 HB THR B 84 -8.643 13.737 -5.631 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.282 14.347 -5.577 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.099 15.039 -7.691 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.094 15.614 -6.331 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.659 16.537 -6.837 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.915 14.864 -2.362 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.425 13.976 -1.288 1.00 0.00 C ATOM 1613 C ALA B 85 -7.526 13.145 -0.634 1.00 0.00 C ATOM 1614 O ALA B 85 -7.349 11.954 -0.421 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.698 14.775 -0.219 1.00 0.00 C ATOM 0 H ALA B 85 -6.539 15.811 -2.323 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.739 13.280 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.346 14.101 0.562 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.847 15.290 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.379 15.508 0.214 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.648 13.770 -0.300 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.759 13.056 0.329 1.00 0.00 C ATOM 1623 C VAL B 86 -10.275 11.940 -0.589 1.00 0.00 C ATOM 1624 O VAL B 86 -10.312 10.773 -0.206 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.906 14.035 0.693 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.265 13.346 0.694 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.650 14.678 2.044 1.00 0.00 C ATOM 0 H VAL B 86 -8.815 14.765 -0.452 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.392 12.602 1.249 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.925 14.808 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -13.039 14.068 0.954 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.467 12.938 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.263 12.538 1.425 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.465 15.361 2.282 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.590 13.904 2.810 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.711 15.231 2.012 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.624 12.313 -1.815 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.138 11.371 -2.812 1.00 0.00 C ATOM 1639 C LYS B 87 -10.066 10.354 -3.177 1.00 0.00 C ATOM 1640 O LYS B 87 -10.354 9.180 -3.397 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.575 12.150 -4.058 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.383 13.403 -3.746 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.731 14.649 -4.333 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.402 15.925 -3.843 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.803 17.149 -4.452 1.00 0.00 N ATOM 0 H LYS B 87 -10.560 13.275 -2.149 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.993 10.835 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.690 12.432 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.169 11.495 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.391 13.296 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.479 13.516 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.675 14.667 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.782 14.607 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.465 15.887 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.318 15.983 -2.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.292 17.992 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.794 17.201 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.906 17.108 -5.486 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.830 10.821 -3.247 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.701 9.969 -3.552 1.00 0.00 C ATOM 1661 C GLU B 88 -7.511 8.964 -2.425 1.00 0.00 C ATOM 1662 O GLU B 88 -7.342 7.776 -2.677 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.452 10.823 -3.794 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.278 11.204 -5.258 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.188 12.231 -5.485 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.213 13.282 -4.819 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.318 12.005 -6.359 1.00 0.00 O ATOM 0 H GLU B 88 -8.585 11.799 -3.094 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.885 9.408 -4.468 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.514 11.729 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.571 10.276 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -6.049 10.308 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.221 11.595 -5.639 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.580 9.445 -1.181 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.472 8.583 -0.005 1.00 0.00 C ATOM 1676 C ARG B 89 -8.512 7.495 -0.117 1.00 0.00 C ATOM 1677 O ARG B 89 -8.240 6.313 0.076 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.746 9.380 1.275 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.669 8.560 2.550 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.552 9.159 3.637 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.876 9.537 3.131 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.614 10.537 3.622 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.182 11.257 4.650 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.795 10.816 3.087 1.00 0.00 N ATOM 0 H ARG B 89 -7.711 10.433 -0.963 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.465 8.167 0.041 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.029 10.199 1.340 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.737 9.829 1.205 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.980 7.535 2.347 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.637 8.517 2.897 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.667 8.439 4.447 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.062 10.037 4.058 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.259 9.001 2.352 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.278 11.049 5.074 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.754 12.018 5.016 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.141 10.267 2.300 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.357 11.580 3.463 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.706 7.941 -0.446 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.850 7.079 -0.610 1.00 0.00 C ATOM 1700 C ASP B 90 -10.662 6.065 -1.731 1.00 0.00 C ATOM 1701 O ASP B 90 -10.940 4.892 -1.533 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.095 7.939 -0.809 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.768 8.217 0.518 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.679 9.360 1.012 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.348 7.267 1.091 1.00 0.00 O ATOM 0 H ASP B 90 -9.909 8.927 -0.609 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.972 6.483 0.295 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.821 8.879 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.791 7.432 -1.477 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.158 6.496 -2.876 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.940 5.585 -4.001 1.00 0.00 C ATOM 1712 C ALA B 91 -8.831 4.585 -3.690 1.00 0.00 C ATOM 1713 O ALA B 91 -8.956 3.408 -4.012 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.623 6.364 -5.268 1.00 0.00 C ATOM 0 H ALA B 91 -9.892 7.464 -3.056 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.861 5.024 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.464 5.669 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.456 7.026 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.721 6.957 -5.115 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.741 5.049 -3.073 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.650 4.149 -2.694 1.00 0.00 C ATOM 1722 C VAL B 92 -7.207 3.148 -1.693 1.00 0.00 C ATOM 1723 O VAL B 92 -6.940 1.952 -1.769 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.460 4.900 -2.062 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.303 3.948 -1.820 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -5.009 6.043 -2.948 1.00 0.00 C ATOM 0 H VAL B 92 -7.592 6.028 -2.828 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.273 3.657 -3.591 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.790 5.311 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.471 4.493 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.621 3.154 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.985 3.513 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.169 6.556 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.701 5.652 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.832 6.744 -3.085 1.00 0.00 H new ATOM 1736 N LYS B 93 -8.016 3.669 -0.772 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.681 2.865 0.244 1.00 0.00 C ATOM 1738 C LYS B 93 -9.558 1.822 -0.426 1.00 0.00 C ATOM 1739 O LYS B 93 -9.408 0.632 -0.200 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.552 3.767 1.129 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.530 3.014 2.021 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.706 3.892 2.438 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.917 3.698 1.529 1.00 0.00 C ATOM 1744 NZ LYS B 93 -12.982 4.715 0.445 1.00 0.00 N ATOM 0 H LYS B 93 -8.227 4.665 -0.712 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.929 2.370 0.858 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.902 4.377 1.756 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.112 4.450 0.491 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.901 2.135 1.493 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.010 2.656 2.910 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.984 3.661 3.466 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.402 4.939 2.418 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.880 2.702 1.087 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.828 3.749 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.761 4.482 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.146 5.654 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.084 4.721 -0.080 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.459 2.308 -1.266 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.398 1.476 -2.006 1.00 0.00 C ATOM 1760 C ASP B 94 -10.693 0.421 -2.837 1.00 0.00 C ATOM 1761 O ASP B 94 -10.997 -0.759 -2.729 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.261 2.366 -2.902 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.542 2.806 -2.222 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.680 4.011 -1.926 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.401 1.944 -1.960 1.00 0.00 O ATOM 0 H ASP B 94 -10.561 3.305 -1.456 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.025 0.950 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.688 3.246 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.506 1.826 -3.817 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.742 0.849 -3.650 1.00 0.00 N ATOM 1771 CA LEU B 95 -9.002 -0.064 -4.511 1.00 0.00 C ATOM 1772 C LEU B 95 -8.229 -1.086 -3.688 1.00 0.00 C ATOM 1773 O LEU B 95 -8.216 -2.254 -4.032 1.00 0.00 O ATOM 1774 CB LEU B 95 -8.054 0.714 -5.426 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.564 -0.049 -6.657 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.720 -0.350 -7.599 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.481 0.739 -7.376 1.00 0.00 C ATOM 0 H LEU B 95 -9.462 1.826 -3.733 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.720 -0.602 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.559 1.621 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.187 1.026 -4.843 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.139 -0.996 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.349 -0.893 -8.468 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.463 -0.957 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.178 0.585 -7.923 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.144 0.181 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.881 1.702 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.640 0.900 -6.702 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.592 -0.657 -2.608 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.856 -1.584 -1.750 1.00 0.00 C ATOM 1791 C LEU B 96 -7.836 -2.508 -1.044 1.00 0.00 C ATOM 1792 O LEU B 96 -7.623 -3.704 -0.977 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.022 -0.824 -0.717 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.678 -0.304 -1.215 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.140 0.758 -0.271 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.687 -1.447 -1.345 1.00 0.00 C ATOM 0 H LEU B 96 -7.567 0.316 -2.304 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.179 -2.172 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.607 0.021 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.845 -1.480 0.136 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.821 0.146 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.180 1.120 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.844 1.588 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.009 0.329 0.722 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.732 -1.062 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.548 -1.920 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.069 -2.181 -2.054 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.926 -1.943 -0.546 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.965 -2.716 0.129 1.00 0.00 C ATOM 1810 C GLN B 97 -10.580 -3.710 -0.859 1.00 0.00 C ATOM 1811 O GLN B 97 -11.179 -4.718 -0.491 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.028 -1.756 0.683 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.298 -2.428 1.166 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.698 -1.979 2.555 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -13.501 -1.061 2.718 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -12.121 -2.606 3.565 1.00 0.00 N ATOM 0 H GLN B 97 -9.117 -0.942 -0.596 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.539 -3.278 0.960 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.594 -1.193 1.509 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.287 -1.035 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -13.108 -2.210 0.470 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.157 -3.509 1.163 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.461 -3.362 3.385 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -12.336 -2.334 4.524 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.410 -3.393 -2.129 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.890 -4.212 -3.223 1.00 0.00 C ATOM 1827 C GLN B 98 -9.861 -5.276 -3.572 1.00 0.00 C ATOM 1828 O GLN B 98 -10.154 -6.469 -3.659 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.101 -3.315 -4.453 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.487 -2.707 -4.565 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.597 -3.687 -4.269 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.513 -4.875 -4.600 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.643 -3.191 -3.634 1.00 0.00 N ATOM 0 H GLN B 98 -9.928 -2.547 -2.432 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.823 -4.693 -2.929 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.367 -2.510 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.902 -3.900 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.563 -1.865 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.621 -2.310 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.665 -2.203 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.429 -3.796 -3.395 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.655 -4.795 -3.757 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.505 -5.579 -4.162 1.00 0.00 C ATOM 1844 C LEU B 99 -6.922 -6.469 -3.066 1.00 0.00 C ATOM 1845 O LEU B 99 -6.741 -7.667 -3.277 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.452 -4.586 -4.649 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.599 -4.179 -6.114 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.795 -2.922 -6.401 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.169 -5.313 -7.030 1.00 0.00 C ATOM 0 H LEU B 99 -8.436 -3.808 -3.625 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.823 -6.275 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.500 -3.691 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.464 -5.022 -4.503 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.650 -3.965 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.912 -2.647 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.154 -2.109 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.742 -3.107 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.281 -5.004 -8.069 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.126 -5.562 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.792 -6.188 -6.843 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.659 -5.890 -1.905 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.029 -6.605 -0.795 1.00 0.00 C ATOM 1863 C LEU B 100 -6.691 -7.944 -0.464 1.00 0.00 C ATOM 1864 O LEU B 100 -6.020 -8.967 -0.512 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.929 -5.721 0.445 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.896 -4.612 0.304 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.750 -3.813 1.581 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.563 -5.188 -0.095 1.00 0.00 C ATOM 0 H LEU B 100 -6.874 -4.914 -1.701 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.023 -6.848 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.904 -5.278 0.648 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.675 -6.340 1.306 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.247 -3.935 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.003 -3.032 1.438 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.707 -3.358 1.837 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.434 -4.473 2.389 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.834 -4.384 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.228 -5.892 0.667 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.661 -5.706 -1.049 1.00 0.00 H new ATOM 1880 N PRO B 101 -8.003 -7.984 -0.144 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.699 -9.238 0.204 1.00 0.00 C ATOM 1882 C PRO B 101 -8.572 -10.338 -0.855 1.00 0.00 C ATOM 1883 O PRO B 101 -8.832 -11.505 -0.572 1.00 0.00 O ATOM 1884 CB PRO B 101 -10.159 -8.806 0.350 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.081 -7.367 0.709 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.914 -6.825 -0.063 1.00 0.00 C ATOM 0 HA PRO B 101 -8.268 -9.684 1.100 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.713 -8.955 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.669 -9.382 1.122 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.002 -6.846 0.446 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -9.937 -7.237 1.782 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.211 -6.475 -1.052 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.449 -5.981 0.447 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.181 -9.970 -2.070 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.029 -10.947 -3.141 1.00 0.00 C ATOM 1896 C LYS B 102 -6.628 -11.560 -3.127 1.00 0.00 C ATOM 1897 O LYS B 102 -6.377 -12.569 -3.782 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.297 -10.307 -4.507 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.657 -9.636 -4.621 1.00 0.00 C ATOM 1900 CD LYS B 102 -10.067 -9.457 -6.076 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.555 -8.043 -6.359 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.685 -7.649 -5.471 1.00 0.00 N ATOM 0 H LYS B 102 -7.965 -9.009 -2.337 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.761 -11.737 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.521 -9.569 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.216 -11.073 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.405 -10.235 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.628 -8.665 -4.127 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.219 -9.685 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.855 -10.169 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.730 -7.343 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.871 -7.971 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -12.370 -7.082 -6.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -12.154 -8.503 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -11.321 -7.087 -4.675 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.720 -10.942 -2.380 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.343 -11.420 -2.301 1.00 0.00 C ATOM 1918 C PHE B 103 -3.940 -11.756 -0.864 1.00 0.00 C ATOM 1919 O PHE B 103 -3.100 -12.631 -0.637 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.386 -10.368 -2.872 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.678 -9.985 -4.297 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.451 -10.876 -5.332 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.180 -8.730 -4.598 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -3.719 -10.522 -6.643 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.451 -8.370 -5.904 1.00 0.00 C ATOM 1926 CZ PHE B 103 -4.220 -9.267 -6.928 1.00 0.00 C ATOM 0 H PHE B 103 -5.911 -10.110 -1.821 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.279 -12.334 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.432 -9.474 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.366 -10.748 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -3.060 -11.859 -5.114 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.362 -8.024 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.537 -11.226 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.843 -7.388 -6.124 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.431 -8.988 -7.950 1.00 0.00 H new ATOM 1936 N LYS B 104 -4.530 -11.062 0.101 1.00 0.00 N ATOM 1937 CA LYS B 104 -4.218 -11.286 1.509 1.00 0.00 C ATOM 1938 C LYS B 104 -5.048 -12.434 2.082 1.00 0.00 C ATOM 1939 O LYS B 104 -6.276 -12.448 1.978 1.00 0.00 O ATOM 1940 CB LYS B 104 -4.443 -10.005 2.328 1.00 0.00 C ATOM 1941 CG LYS B 104 -5.905 -9.598 2.462 1.00 0.00 C ATOM 1942 CD LYS B 104 -6.090 -8.441 3.426 1.00 0.00 C ATOM 1943 CE LYS B 104 -7.554 -8.261 3.801 1.00 0.00 C ATOM 1944 NZ LYS B 104 -7.735 -7.243 4.868 1.00 0.00 N ATOM 0 H LYS B 104 -5.229 -10.338 -0.065 1.00 0.00 H new ATOM 0 HA LYS B 104 -3.165 -11.561 1.575 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -4.024 -10.146 3.324 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -3.891 -9.188 1.863 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -6.294 -9.319 1.483 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -6.489 -10.452 2.805 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -5.501 -8.617 4.326 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -5.713 -7.524 2.973 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -8.121 -7.965 2.918 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -7.962 -9.214 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -8.260 -7.662 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -6.804 -6.920 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -8.267 -6.434 4.489 1.00 0.00 H new ATOM 1958 N ARG B 105 -4.359 -13.415 2.647 1.00 0.00 N ATOM 1959 CA ARG B 105 -5.002 -14.573 3.263 1.00 0.00 C ATOM 1960 C ARG B 105 -4.108 -15.088 4.381 1.00 0.00 C ATOM 1961 O ARG B 105 -2.986 -15.524 4.124 1.00 0.00 O ATOM 1962 CB ARG B 105 -5.247 -15.716 2.261 1.00 0.00 C ATOM 1963 CG ARG B 105 -5.775 -15.294 0.896 1.00 0.00 C ATOM 1964 CD ARG B 105 -4.663 -15.277 -0.142 1.00 0.00 C ATOM 1965 NE ARG B 105 -3.724 -16.377 0.064 1.00 0.00 N ATOM 1966 CZ ARG B 105 -2.410 -16.230 0.212 1.00 0.00 C ATOM 1967 NH1 ARG B 105 -1.846 -15.034 0.064 1.00 0.00 N ATOM 1968 NH2 ARG B 105 -1.663 -17.285 0.513 1.00 0.00 N ATOM 0 H ARG B 105 -3.340 -13.433 2.693 1.00 0.00 H new ATOM 0 HA ARG B 105 -5.973 -14.251 3.640 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -4.311 -16.256 2.117 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -5.955 -16.417 2.703 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -6.561 -15.979 0.579 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -6.225 -14.304 0.967 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -5.094 -15.347 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -4.130 -14.327 -0.091 1.00 0.00 H new ATOM 0 HE ARG B 105 -4.102 -17.324 0.097 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -2.422 -14.223 -0.164 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -0.838 -14.928 0.179 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -2.097 -18.201 0.629 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -0.655 -17.180 0.628 1.00 0.00 H new ATOM 1982 N LYS B 106 -4.595 -15.024 5.612 1.00 0.00 N ATOM 1983 CA LYS B 106 -3.826 -15.481 6.765 1.00 0.00 C ATOM 1984 C LYS B 106 -3.570 -16.986 6.708 1.00 0.00 C ATOM 1985 O LYS B 106 -2.494 -17.455 7.078 1.00 0.00 O ATOM 1986 CB LYS B 106 -4.559 -15.125 8.057 1.00 0.00 C ATOM 1987 CG LYS B 106 -3.724 -15.302 9.312 1.00 0.00 C ATOM 1988 CD LYS B 106 -4.439 -14.755 10.539 1.00 0.00 C ATOM 1989 CE LYS B 106 -4.184 -13.266 10.728 1.00 0.00 C ATOM 1990 NZ LYS B 106 -4.876 -12.432 9.711 1.00 0.00 N ATOM 0 H LYS B 106 -5.520 -14.660 5.840 1.00 0.00 H new ATOM 0 HA LYS B 106 -2.860 -14.976 6.744 1.00 0.00 H new ATOM 0 HB2 LYS B 106 -4.893 -14.089 7.999 1.00 0.00 H new ATOM 0 HB3 LYS B 106 -5.452 -15.744 8.138 1.00 0.00 H new ATOM 0 HG2 LYS B 106 -3.505 -16.360 9.458 1.00 0.00 H new ATOM 0 HG3 LYS B 106 -2.768 -14.793 9.189 1.00 0.00 H new ATOM 0 HD2 LYS B 106 -5.510 -14.930 10.443 1.00 0.00 H new ATOM 0 HD3 LYS B 106 -4.105 -15.296 11.425 1.00 0.00 H new ATOM 0 HE2 LYS B 106 -4.515 -12.968 11.723 1.00 0.00 H new ATOM 0 HE3 LYS B 106 -3.112 -13.076 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 106 -5.141 -11.519 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 106 -4.240 -12.269 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 106 -5.732 -12.923 9.383 1.00 0.00 H new ATOM 2004 N ALA B 107 -4.558 -17.737 6.242 1.00 0.00 N ATOM 2005 CA ALA B 107 -4.429 -19.185 6.145 1.00 0.00 C ATOM 2006 C ALA B 107 -5.126 -19.713 4.897 1.00 0.00 C ATOM 2007 O ALA B 107 -6.069 -20.498 4.987 1.00 0.00 O ATOM 2008 CB ALA B 107 -4.990 -19.853 7.393 1.00 0.00 C ATOM 0 H ALA B 107 -5.455 -17.369 5.926 1.00 0.00 H new ATOM 0 HA ALA B 107 -3.369 -19.427 6.067 1.00 0.00 H new ATOM 0 HB1 ALA B 107 -4.886 -20.934 7.305 1.00 0.00 H new ATOM 0 HB2 ALA B 107 -4.442 -19.506 8.269 1.00 0.00 H new ATOM 0 HB3 ALA B 107 -6.044 -19.597 7.500 1.00 0.00 H new ATOM 2014 N ASN B 108 -4.655 -19.274 3.738 1.00 0.00 N ATOM 2015 CA ASN B 108 -5.220 -19.696 2.462 1.00 0.00 C ATOM 2016 C ASN B 108 -4.307 -19.243 1.328 1.00 0.00 C ATOM 2017 O ASN B 108 -4.817 -18.761 0.296 1.00 0.00 O ATOM 2018 CB ASN B 108 -6.627 -19.110 2.272 1.00 0.00 C ATOM 2019 CG ASN B 108 -7.500 -19.950 1.354 1.00 0.00 C ATOM 2020 OD1 ASN B 108 -8.462 -20.577 1.794 1.00 0.00 O ATOM 2021 ND2 ASN B 108 -7.167 -19.975 0.075 1.00 0.00 N ATOM 2022 OXT ASN B 108 -3.073 -19.325 1.495 1.00 0.00 O ATOM 0 H ASN B 108 -3.876 -18.620 3.655 1.00 0.00 H new ATOM 0 HA ASN B 108 -5.299 -20.783 2.453 1.00 0.00 H new ATOM 0 HB2 ASN B 108 -7.112 -19.021 3.244 1.00 0.00 H new ATOM 0 HB3 ASN B 108 -6.543 -18.103 1.864 1.00 0.00 H new ATOM 0 HD21 ASN B 108 -7.715 -20.528 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN B 108 -6.362 -19.442 -0.253 1.00 0.00 H new TER 2029 ASN B 108