USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 672 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 Single : A 1 SER N :NH3+ -129:sc= -1.35! (180deg=-5.42!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0734 USER MOD Single : A 2 ASN :FLIP amide:sc= -1.12 F(o=-2.7,f=-1.1) USER MOD Single : A 5 ASN : amide:sc= -0.986 K(o=-0.99,f=-4.3!) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -1 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.095 X(o=-0.095,f=-0.23) USER MOD Single : A 14 SER OG : rot -73:sc= 1.09 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0486) USER MOD Single : B 23 SER OG : rot 20:sc= 0.453 USER MOD Single : B 24 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 27 ASN : amide:sc= -4.32! C(o=-4.3!,f=-11!) USER MOD Single : B 28 CYS SG : rot 180:sc= -0.444 USER MOD Single : B 29 TYR OH : rot -162:sc= -0.52! USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS :FLIP no HD1:sc= -2.88! C(o=-4.2!,f=-2.9!) USER MOD Single : B 36 SER OG : rot -159:sc= 0.586 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 SER OG : rot 180:sc= 0 USER MOD Single : C 46 ASN :FLIP amide:sc= -0.488 F(o=-1.3,f=-0.49) USER MOD Single : C 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 50 CYS SG : rot 180:sc= 0 USER MOD Single : C 51 TYR OH : rot -114:sc= 0.251 USER MOD Single : C 53 SER OG : rot -70:sc= -0.961 USER MOD Single : C 56 HIS : no HD1:sc= -5.27! C(o=-5.3!,f=-5.5!) USER MOD Single : C 58 SER OG : rot -87:sc= -0.637 USER MOD Single : C 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 67 SER OG : rot 180:sc= 0 USER MOD Single : D 68 ASN :FLIP amide:sc= -1.33 F(o=-2.1,f=-1.3) USER MOD Single : D 71 ASN : amide:sc= 0.572 K(o=0.57,f=-3.7!) USER MOD Single : D 72 CYS SG : rot 180:sc= -0.892 USER MOD Single : D 73 TYR OH : rot 180:sc= 0 USER MOD Single : D 75 SER OG : rot 93:sc= 1.03 USER MOD Single : D 78 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.014) USER MOD Single : D 80 SER OG : rot -114:sc= -0.892! USER MOD Single : D 88 LYS NZ :NH3+ 151:sc= 1.31 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.061 0.394 -2.195 1.00 0.00 N ATOM 2 CA SER A 1 14.004 0.675 -3.310 1.00 0.00 C ATOM 3 C SER A 1 13.575 1.910 -4.099 1.00 0.00 C ATOM 4 O SER A 1 13.395 1.852 -5.315 1.00 0.00 O ATOM 5 CB SER A 1 14.056 -0.549 -4.227 1.00 0.00 C ATOM 6 OG SER A 1 12.762 -1.092 -4.425 1.00 0.00 O ATOM 0 H1 SER A 1 13.595 0.278 -1.310 1.00 0.00 H new ATOM 0 H2 SER A 1 12.394 1.186 -2.096 1.00 0.00 H new ATOM 0 H3 SER A 1 12.534 -0.479 -2.398 1.00 0.00 H new ATOM 0 HA SER A 1 14.993 0.877 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.488 -0.269 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.709 -1.306 -3.792 1.00 0.00 H new ATOM 0 HG SER A 1 12.821 -1.872 -5.016 1.00 0.00 H new ATOM 14 N ASN A 2 13.416 3.026 -3.397 1.00 0.00 N ATOM 15 CA ASN A 2 13.009 4.277 -4.030 1.00 0.00 C ATOM 16 C ASN A 2 11.639 4.136 -4.684 1.00 0.00 C ATOM 17 O ASN A 2 10.986 3.103 -4.551 1.00 0.00 O ATOM 18 CB ASN A 2 14.042 4.712 -5.076 1.00 0.00 C ATOM 19 CG ASN A 2 15.463 4.341 -4.693 1.00 0.00 C ATOM 20 OD1 ASN A 2 15.782 4.455 -3.407 1.00 0.00 O flip ATOM 21 ND2 ASN A 2 16.266 3.954 -5.542 1.00 0.00 N flip ATOM 0 H ASN A 2 13.562 3.091 -2.390 1.00 0.00 H new ATOM 0 HA ASN A 2 12.947 5.040 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 2 13.797 4.252 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 2 13.979 5.791 -5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 2 15.980 3.881 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 2 17.217 3.706 -5.269 1.00 0.00 H new ATOM 28 N PHE A 3 11.217 5.191 -5.388 1.00 0.00 N ATOM 29 CA PHE A 3 9.923 5.222 -6.081 1.00 0.00 C ATOM 30 C PHE A 3 8.815 5.700 -5.145 1.00 0.00 C ATOM 31 O PHE A 3 9.057 5.965 -3.967 1.00 0.00 O ATOM 32 CB PHE A 3 9.587 3.847 -6.707 1.00 0.00 C ATOM 33 CG PHE A 3 8.395 3.130 -6.116 1.00 0.00 C ATOM 34 CD1 PHE A 3 8.258 2.967 -4.745 1.00 0.00 C ATOM 35 CD2 PHE A 3 7.413 2.611 -6.947 1.00 0.00 C ATOM 36 CE1 PHE A 3 7.168 2.302 -4.217 1.00 0.00 C ATOM 37 CE2 PHE A 3 6.321 1.944 -6.422 1.00 0.00 C ATOM 38 CZ PHE A 3 6.199 1.789 -5.056 1.00 0.00 C ATOM 0 H PHE A 3 11.761 6.047 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 3 9.997 5.939 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 3 9.411 3.988 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.460 3.202 -6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.012 3.365 -4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.502 2.729 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.074 2.183 -3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.564 1.545 -7.081 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.347 1.268 -4.644 1.00 0.00 H new ATOM 48 N LEU A 4 7.601 5.813 -5.674 1.00 0.00 N ATOM 49 CA LEU A 4 6.464 6.264 -4.880 1.00 0.00 C ATOM 50 C LEU A 4 5.148 5.778 -5.479 1.00 0.00 C ATOM 51 O LEU A 4 4.885 5.970 -6.666 1.00 0.00 O ATOM 52 CB LEU A 4 6.457 7.792 -4.780 1.00 0.00 C ATOM 53 CG LEU A 4 6.941 8.527 -6.032 1.00 0.00 C ATOM 54 CD1 LEU A 4 6.132 9.797 -6.251 1.00 0.00 C ATOM 55 CD2 LEU A 4 8.424 8.850 -5.920 1.00 0.00 C ATOM 0 H LEU A 4 7.380 5.599 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 4 6.564 5.840 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.443 8.121 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.083 8.088 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 4 6.795 7.875 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.490 10.307 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.080 9.541 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.246 10.454 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.751 9.373 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.594 9.484 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.991 7.925 -5.811 1.00 0.00 H new ATOM 67 N ASN A 5 4.322 5.151 -4.646 1.00 0.00 N ATOM 68 CA ASN A 5 3.030 4.641 -5.088 1.00 0.00 C ATOM 69 C ASN A 5 1.898 5.536 -4.589 1.00 0.00 C ATOM 70 O ASN A 5 1.598 5.567 -3.396 1.00 0.00 O ATOM 71 CB ASN A 5 2.825 3.210 -4.587 1.00 0.00 C ATOM 72 CG ASN A 5 1.537 2.596 -5.100 1.00 0.00 C ATOM 73 OD1 ASN A 5 0.478 3.221 -5.059 1.00 0.00 O ATOM 74 ND2 ASN A 5 1.622 1.362 -5.585 1.00 0.00 N ATOM 0 H ASN A 5 4.526 4.984 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 5 3.017 4.640 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.668 2.594 -4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.816 3.207 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.788 0.896 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.521 0.881 -5.600 1.00 0.00 H new ATOM 81 N CYS A 6 1.279 6.267 -5.511 1.00 0.00 N ATOM 82 CA CYS A 6 0.186 7.167 -5.163 1.00 0.00 C ATOM 83 C CYS A 6 -1.164 6.466 -5.280 1.00 0.00 C ATOM 84 O CYS A 6 -1.498 5.906 -6.324 1.00 0.00 O ATOM 85 CB CYS A 6 0.211 8.402 -6.066 1.00 0.00 C ATOM 86 SG CYS A 6 -0.247 9.938 -5.229 1.00 0.00 S ATOM 0 H CYS A 6 1.516 6.254 -6.503 1.00 0.00 H new ATOM 0 HA CYS A 6 0.322 7.476 -4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.212 8.513 -6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.468 8.241 -6.903 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.194 10.925 -6.074 1.00 0.00 H new ATOM 92 N TYR A 7 -1.938 6.504 -4.199 1.00 0.00 N ATOM 93 CA TYR A 7 -3.255 5.878 -4.177 1.00 0.00 C ATOM 94 C TYR A 7 -4.254 6.748 -3.419 1.00 0.00 C ATOM 95 O TYR A 7 -4.044 7.077 -2.251 1.00 0.00 O ATOM 96 CB TYR A 7 -3.173 4.490 -3.536 1.00 0.00 C ATOM 97 CG TYR A 7 -3.688 3.379 -4.424 1.00 0.00 C ATOM 98 CD1 TYR A 7 -4.828 3.554 -5.200 1.00 0.00 C ATOM 99 CD2 TYR A 7 -3.036 2.154 -4.485 1.00 0.00 C ATOM 100 CE1 TYR A 7 -5.301 2.541 -6.011 1.00 0.00 C ATOM 101 CE2 TYR A 7 -3.503 1.136 -5.294 1.00 0.00 C ATOM 102 CZ TYR A 7 -4.636 1.334 -6.055 1.00 0.00 C ATOM 103 OH TYR A 7 -5.106 0.323 -6.861 1.00 0.00 O ATOM 0 H TYR A 7 -1.675 6.962 -3.327 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.600 5.772 -5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.136 4.282 -3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.743 4.494 -2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.352 4.498 -5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.149 1.995 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.188 2.694 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.983 0.190 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.913 0.625 -7.328 1.00 0.00 H new ATOM 113 N VAL A 8 -5.339 7.119 -4.091 1.00 0.00 N ATOM 114 CA VAL A 8 -6.368 7.953 -3.480 1.00 0.00 C ATOM 115 C VAL A 8 -7.745 7.641 -4.055 1.00 0.00 C ATOM 116 O VAL A 8 -7.901 7.471 -5.264 1.00 0.00 O ATOM 117 CB VAL A 8 -6.067 9.449 -3.681 1.00 0.00 C ATOM 118 CG1 VAL A 8 -4.907 9.886 -2.798 1.00 0.00 C ATOM 119 CG2 VAL A 8 -5.772 9.742 -5.145 1.00 0.00 C ATOM 0 H VAL A 8 -5.528 6.856 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.365 7.728 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.949 10.020 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.710 10.946 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.161 9.715 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.018 9.310 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.562 10.804 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.907 9.161 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.636 9.471 -5.752 1.00 0.00 H new ATOM 129 N SER A 9 -8.744 7.568 -3.178 1.00 0.00 N ATOM 130 CA SER A 9 -10.114 7.278 -3.595 1.00 0.00 C ATOM 131 C SER A 9 -10.257 5.818 -4.015 1.00 0.00 C ATOM 132 O SER A 9 -10.927 5.034 -3.344 1.00 0.00 O ATOM 133 CB SER A 9 -10.536 8.198 -4.744 1.00 0.00 C ATOM 134 OG SER A 9 -11.944 8.188 -4.915 1.00 0.00 O ATOM 0 H SER A 9 -8.630 7.706 -2.174 1.00 0.00 H new ATOM 0 HA SER A 9 -10.769 7.459 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.198 9.215 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.052 7.878 -5.667 1.00 0.00 H new ATOM 0 HG SER A 9 -12.188 8.784 -5.653 1.00 0.00 H new ATOM 140 N GLY A 10 -9.621 5.459 -5.127 1.00 0.00 N ATOM 141 CA GLY A 10 -9.693 4.092 -5.607 1.00 0.00 C ATOM 142 C GLY A 10 -9.913 4.005 -7.106 1.00 0.00 C ATOM 143 O GLY A 10 -9.489 4.885 -7.856 1.00 0.00 O ATOM 0 H GLY A 10 -9.060 6.088 -5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.770 3.572 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.504 3.574 -5.095 1.00 0.00 H new ATOM 147 N PHE A 11 -10.578 2.938 -7.544 1.00 0.00 N ATOM 148 CA PHE A 11 -10.855 2.737 -8.962 1.00 0.00 C ATOM 149 C PHE A 11 -11.757 1.521 -9.175 1.00 0.00 C ATOM 150 O PHE A 11 -12.355 1.008 -8.232 1.00 0.00 O ATOM 151 CB PHE A 11 -9.545 2.574 -9.744 1.00 0.00 C ATOM 152 CG PHE A 11 -8.941 1.197 -9.657 1.00 0.00 C ATOM 153 CD1 PHE A 11 -8.406 0.730 -8.467 1.00 0.00 C ATOM 154 CD2 PHE A 11 -8.909 0.371 -10.769 1.00 0.00 C ATOM 155 CE1 PHE A 11 -7.850 -0.535 -8.387 1.00 0.00 C ATOM 156 CE2 PHE A 11 -8.356 -0.893 -10.697 1.00 0.00 C ATOM 157 CZ PHE A 11 -7.825 -1.347 -9.504 1.00 0.00 C ATOM 0 H PHE A 11 -10.934 2.200 -6.936 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.378 3.618 -9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.728 2.813 -10.792 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.821 3.300 -9.374 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.423 1.361 -7.591 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.322 0.720 -11.704 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.437 -0.886 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.339 -1.526 -11.572 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.392 -2.334 -9.446 1.00 0.00 H new ATOM 167 N HIS A 12 -11.844 1.070 -10.422 1.00 0.00 N ATOM 168 CA HIS A 12 -12.669 -0.085 -10.762 1.00 0.00 C ATOM 169 C HIS A 12 -12.103 -1.359 -10.142 1.00 0.00 C ATOM 170 O HIS A 12 -10.904 -1.451 -9.877 1.00 0.00 O ATOM 171 CB HIS A 12 -12.760 -0.242 -12.282 1.00 0.00 C ATOM 172 CG HIS A 12 -13.010 1.045 -13.004 1.00 0.00 C ATOM 173 ND1 HIS A 12 -12.022 1.739 -13.671 1.00 0.00 N ATOM 174 CD2 HIS A 12 -14.147 1.764 -13.167 1.00 0.00 C ATOM 175 CE1 HIS A 12 -12.540 2.829 -14.210 1.00 0.00 C ATOM 176 NE2 HIS A 12 -13.827 2.867 -13.919 1.00 0.00 N ATOM 0 H HIS A 12 -11.354 1.486 -11.214 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.668 0.082 -10.359 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.832 -0.681 -12.650 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.560 -0.943 -12.519 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -15.123 1.516 -12.778 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.002 3.564 -14.790 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.478 3.598 -14.206 1.00 0.00 H new ATOM 185 N PRO A 13 -12.961 -2.366 -9.902 1.00 0.00 N ATOM 186 CA PRO A 13 -12.539 -3.640 -9.312 1.00 0.00 C ATOM 187 C PRO A 13 -11.579 -4.404 -10.217 1.00 0.00 C ATOM 188 O PRO A 13 -11.915 -4.745 -11.351 1.00 0.00 O ATOM 189 CB PRO A 13 -13.851 -4.416 -9.149 1.00 0.00 C ATOM 190 CG PRO A 13 -14.791 -3.791 -10.121 1.00 0.00 C ATOM 191 CD PRO A 13 -14.406 -2.341 -10.189 1.00 0.00 C ATOM 0 HA PRO A 13 -11.999 -3.495 -8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -13.712 -5.476 -9.361 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -14.230 -4.341 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -14.712 -4.263 -11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -15.825 -3.906 -9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -14.615 -1.914 -11.170 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.952 -1.744 -9.458 1.00 0.00 H new ATOM 199 N SER A 14 -10.379 -4.667 -9.709 1.00 0.00 N ATOM 200 CA SER A 14 -9.366 -5.388 -10.471 1.00 0.00 C ATOM 201 C SER A 14 -8.189 -5.772 -9.580 1.00 0.00 C ATOM 202 O SER A 14 -8.280 -5.708 -8.354 1.00 0.00 O ATOM 203 CB SER A 14 -8.880 -4.535 -11.644 1.00 0.00 C ATOM 204 OG SER A 14 -7.840 -3.659 -11.243 1.00 0.00 O ATOM 0 H SER A 14 -10.084 -4.391 -8.772 1.00 0.00 H new ATOM 0 HA SER A 14 -9.817 -6.302 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.525 -5.183 -12.446 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.712 -3.957 -12.046 1.00 0.00 H new ATOM 0 HG SER A 14 -8.215 -2.931 -10.705 1.00 0.00 H new ATOM 210 N ASP A 15 -7.085 -6.172 -10.204 1.00 0.00 N ATOM 211 CA ASP A 15 -5.890 -6.564 -9.465 1.00 0.00 C ATOM 212 C ASP A 15 -4.706 -5.675 -9.832 1.00 0.00 C ATOM 213 O ASP A 15 -4.081 -5.858 -10.877 1.00 0.00 O ATOM 214 CB ASP A 15 -5.550 -8.029 -9.747 1.00 0.00 C ATOM 215 CG ASP A 15 -5.299 -8.290 -11.220 1.00 0.00 C ATOM 216 OD1 ASP A 15 -6.279 -8.528 -11.956 1.00 0.00 O ATOM 217 OD2 ASP A 15 -4.121 -8.257 -11.637 1.00 0.00 O ATOM 0 H ASP A 15 -6.993 -6.233 -11.218 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.095 -6.443 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.666 -8.311 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.368 -8.662 -9.403 1.00 0.00 H new ATOM 222 N ILE A 16 -4.401 -4.715 -8.965 1.00 0.00 N ATOM 223 CA ILE A 16 -3.289 -3.803 -9.201 1.00 0.00 C ATOM 224 C ILE A 16 -1.985 -4.380 -8.655 1.00 0.00 C ATOM 225 O ILE A 16 -1.967 -4.994 -7.588 1.00 0.00 O ATOM 226 CB ILE A 16 -3.544 -2.422 -8.561 1.00 0.00 C ATOM 227 CG1 ILE A 16 -2.450 -1.436 -8.972 1.00 0.00 C ATOM 228 CG2 ILE A 16 -3.619 -2.537 -7.046 1.00 0.00 C ATOM 229 CD1 ILE A 16 -2.685 -0.028 -8.471 1.00 0.00 C ATOM 0 H ILE A 16 -4.907 -4.549 -8.095 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.203 -3.677 -10.280 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.502 -2.047 -8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.491 -1.792 -8.595 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.378 -1.419 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.799 -1.552 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.433 -3.208 -6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.678 -2.934 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.870 0.616 -8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.628 0.347 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.727 -0.032 -7.382 1.00 0.00 H new ATOM 241 N GLU A 17 -0.898 -4.184 -9.394 1.00 0.00 N ATOM 242 CA GLU A 17 0.404 -4.692 -8.979 1.00 0.00 C ATOM 243 C GLU A 17 1.519 -3.731 -9.370 1.00 0.00 C ATOM 244 O GLU A 17 1.332 -2.854 -10.214 1.00 0.00 O ATOM 245 CB GLU A 17 0.659 -6.065 -9.606 1.00 0.00 C ATOM 246 CG GLU A 17 2.002 -6.669 -9.228 1.00 0.00 C ATOM 247 CD GLU A 17 2.102 -8.140 -9.586 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.569 -8.973 -8.824 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.714 -8.457 -10.627 1.00 0.00 O ATOM 0 H GLU A 17 -0.893 -3.679 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 17 0.398 -4.786 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.135 -6.747 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.603 -5.975 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.798 -6.121 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.162 -6.548 -8.157 1.00 0.00 H new ATOM 256 N VAL A 18 2.679 -3.902 -8.747 1.00 0.00 N ATOM 257 CA VAL A 18 3.826 -3.053 -9.027 1.00 0.00 C ATOM 258 C VAL A 18 5.132 -3.774 -8.695 1.00 0.00 C ATOM 259 O VAL A 18 5.273 -4.355 -7.618 1.00 0.00 O ATOM 260 CB VAL A 18 3.735 -1.721 -8.244 1.00 0.00 C ATOM 261 CG1 VAL A 18 4.638 -1.727 -7.015 1.00 0.00 C ATOM 262 CG2 VAL A 18 4.069 -0.549 -9.152 1.00 0.00 C ATOM 0 H VAL A 18 2.848 -4.622 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 18 3.818 -2.826 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 18 2.709 -1.611 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.547 -0.775 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.341 -2.537 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.673 -1.873 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.001 0.380 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.082 -0.665 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.365 -0.521 -9.983 1.00 0.00 H new ATOM 272 N ASP A 19 6.079 -3.736 -9.625 1.00 0.00 N ATOM 273 CA ASP A 19 7.367 -4.389 -9.427 1.00 0.00 C ATOM 274 C ASP A 19 8.517 -3.436 -9.734 1.00 0.00 C ATOM 275 O ASP A 19 8.622 -2.910 -10.843 1.00 0.00 O ATOM 276 CB ASP A 19 7.469 -5.632 -10.311 1.00 0.00 C ATOM 277 CG ASP A 19 7.083 -5.351 -11.750 1.00 0.00 C ATOM 278 OD1 ASP A 19 5.875 -5.188 -12.019 1.00 0.00 O ATOM 279 OD2 ASP A 19 7.990 -5.292 -12.608 1.00 0.00 O ATOM 0 H ASP A 19 5.979 -3.261 -10.522 1.00 0.00 H new ATOM 0 HA ASP A 19 7.439 -4.686 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.489 -6.014 -10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.823 -6.413 -9.910 1.00 0.00 H new ATOM 284 N LEU A 20 9.378 -3.220 -8.746 1.00 0.00 N ATOM 285 CA LEU A 20 10.525 -2.332 -8.912 1.00 0.00 C ATOM 286 C LEU A 20 11.816 -3.131 -9.057 1.00 0.00 C ATOM 287 O LEU A 20 12.080 -4.049 -8.280 1.00 0.00 O ATOM 288 CB LEU A 20 10.633 -1.377 -7.722 1.00 0.00 C ATOM 289 CG LEU A 20 9.749 -0.132 -7.805 1.00 0.00 C ATOM 290 CD1 LEU A 20 10.247 0.805 -8.895 1.00 0.00 C ATOM 291 CD2 LEU A 20 8.301 -0.523 -8.057 1.00 0.00 C ATOM 0 H LEU A 20 9.305 -3.647 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 20 10.375 -1.752 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.379 -1.923 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.671 -1.060 -7.624 1.00 0.00 H new ATOM 0 HG LEU A 20 9.803 0.393 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.606 1.685 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.269 1.112 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.224 0.291 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.686 0.375 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.230 -1.071 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.947 -1.154 -7.242 1.00 0.00 H new ATOM 303 N LEU A 21 12.617 -2.776 -10.056 1.00 0.00 N ATOM 304 CA LEU A 21 13.880 -3.461 -10.304 1.00 0.00 C ATOM 305 C LEU A 21 14.991 -2.460 -10.608 1.00 0.00 C ATOM 306 O LEU A 21 15.999 -2.404 -9.905 1.00 0.00 O ATOM 307 CB LEU A 21 13.732 -4.444 -11.467 1.00 0.00 C ATOM 308 CG LEU A 21 15.008 -5.200 -11.843 1.00 0.00 C ATOM 309 CD1 LEU A 21 14.995 -6.599 -11.247 1.00 0.00 C ATOM 310 CD2 LEU A 21 15.164 -5.265 -13.355 1.00 0.00 C ATOM 0 H LEU A 21 12.414 -2.018 -10.707 1.00 0.00 H new ATOM 0 HA LEU A 21 14.148 -4.013 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.959 -5.170 -11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.381 -3.897 -12.342 1.00 0.00 H new ATOM 0 HG LEU A 21 15.861 -4.660 -11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.910 -7.121 -11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.932 -6.531 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.134 -7.148 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 21 16.077 -5.806 -13.604 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.307 -5.781 -13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.220 -4.254 -13.759 1.00 0.00 H new ATOM 322 N LYS A 22 14.798 -1.674 -11.661 1.00 0.00 N ATOM 323 CA LYS A 22 15.783 -0.675 -12.062 1.00 0.00 C ATOM 324 C LYS A 22 15.210 0.733 -11.938 1.00 0.00 C ATOM 325 O LYS A 22 14.307 1.076 -12.731 1.00 0.00 O ATOM 326 CB LYS A 22 16.239 -0.927 -13.500 1.00 0.00 C ATOM 327 CG LYS A 22 15.109 -0.855 -14.517 1.00 0.00 C ATOM 328 CD LYS A 22 15.233 -1.946 -15.567 1.00 0.00 C ATOM 329 CE LYS A 22 16.487 -1.769 -16.409 1.00 0.00 C ATOM 330 NZ LYS A 22 16.385 -0.592 -17.316 1.00 0.00 N ATOM 331 OXT LYS A 22 15.667 1.481 -11.049 1.00 0.00 O ATOM 0 H LYS A 22 13.968 -1.709 -12.253 1.00 0.00 H new ATOM 0 HA LYS A 22 16.642 -0.759 -11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.002 -0.195 -13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.707 -1.910 -13.557 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.151 -0.949 -14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.117 0.121 -15.002 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.255 -2.921 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.355 -1.933 -16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.350 -1.649 -15.754 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.658 -2.669 -17.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.197 -0.583 -17.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.503 -0.651 -17.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.384 0.282 -16.752 1.00 0.00 H new TER 345 LYS A 22 ATOM 346 N SER B 23 16.578 7.211 -4.256 1.00 0.00 N ATOM 347 CA SER B 23 16.566 7.359 -2.777 1.00 0.00 C ATOM 348 C SER B 23 15.316 8.096 -2.306 1.00 0.00 C ATOM 349 O SER B 23 15.388 9.241 -1.858 1.00 0.00 O ATOM 350 CB SER B 23 17.823 8.123 -2.353 1.00 0.00 C ATOM 351 OG SER B 23 18.942 7.736 -3.131 1.00 0.00 O ATOM 0 HA SER B 23 16.555 6.370 -2.318 1.00 0.00 H new ATOM 0 HB2 SER B 23 17.655 9.195 -2.460 1.00 0.00 H new ATOM 0 HB3 SER B 23 18.027 7.937 -1.299 1.00 0.00 H new ATOM 0 HG SER B 23 18.634 7.316 -3.961 1.00 0.00 H new ATOM 359 N ASN B 24 14.167 7.432 -2.411 1.00 0.00 N ATOM 360 CA ASN B 24 12.903 8.027 -1.996 1.00 0.00 C ATOM 361 C ASN B 24 11.754 7.033 -2.143 1.00 0.00 C ATOM 362 O ASN B 24 11.396 6.641 -3.254 1.00 0.00 O ATOM 363 CB ASN B 24 12.612 9.282 -2.821 1.00 0.00 C ATOM 364 CG ASN B 24 11.739 10.273 -2.077 1.00 0.00 C ATOM 365 OD1 ASN B 24 10.822 9.888 -1.351 1.00 0.00 O ATOM 366 ND2 ASN B 24 12.018 11.558 -2.255 1.00 0.00 N ATOM 0 H ASN B 24 14.087 6.484 -2.779 1.00 0.00 H new ATOM 0 HA ASN B 24 12.989 8.300 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.553 9.762 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN B 24 12.121 8.996 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN B 24 11.463 12.271 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN B 24 12.787 11.833 -2.866 1.00 0.00 H new ATOM 373 N PHE B 25 11.178 6.632 -1.011 1.00 0.00 N ATOM 374 CA PHE B 25 10.066 5.688 -1.010 1.00 0.00 C ATOM 375 C PHE B 25 8.809 6.338 -0.439 1.00 0.00 C ATOM 376 O PHE B 25 8.801 6.801 0.702 1.00 0.00 O ATOM 377 CB PHE B 25 10.425 4.440 -0.198 1.00 0.00 C ATOM 378 CG PHE B 25 9.309 3.438 -0.121 1.00 0.00 C ATOM 379 CD1 PHE B 25 8.373 3.503 0.898 1.00 0.00 C ATOM 380 CD2 PHE B 25 9.194 2.434 -1.069 1.00 0.00 C ATOM 381 CE1 PHE B 25 7.341 2.587 0.970 1.00 0.00 C ATOM 382 CE2 PHE B 25 8.166 1.513 -1.001 1.00 0.00 C ATOM 383 CZ PHE B 25 7.237 1.590 0.020 1.00 0.00 C ATOM 0 H PHE B 25 11.464 6.947 -0.084 1.00 0.00 H new ATOM 0 HA PHE B 25 9.869 5.393 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE B 25 11.300 3.965 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE B 25 10.704 4.740 0.812 1.00 0.00 H new ATOM 0 HD1 PHE B 25 8.451 4.279 1.645 1.00 0.00 H new ATOM 0 HD2 PHE B 25 9.916 2.371 -1.870 1.00 0.00 H new ATOM 0 HE1 PHE B 25 6.616 2.651 1.768 1.00 0.00 H new ATOM 0 HE2 PHE B 25 8.088 0.734 -1.745 1.00 0.00 H new ATOM 0 HZ PHE B 25 6.432 0.872 0.075 1.00 0.00 H new ATOM 393 N LEU B 26 7.747 6.371 -1.240 1.00 0.00 N ATOM 394 CA LEU B 26 6.488 6.970 -0.811 1.00 0.00 C ATOM 395 C LEU B 26 5.304 6.069 -1.151 1.00 0.00 C ATOM 396 O LEU B 26 4.812 6.075 -2.279 1.00 0.00 O ATOM 397 CB LEU B 26 6.305 8.341 -1.466 1.00 0.00 C ATOM 398 CG LEU B 26 5.633 9.396 -0.584 1.00 0.00 C ATOM 399 CD1 LEU B 26 6.416 10.699 -0.615 1.00 0.00 C ATOM 400 CD2 LEU B 26 4.195 9.626 -1.028 1.00 0.00 C ATOM 0 H LEU B 26 7.734 5.991 -2.187 1.00 0.00 H new ATOM 0 HA LEU B 26 6.525 7.090 0.272 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.283 8.714 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.713 8.217 -2.373 1.00 0.00 H new ATOM 0 HG LEU B 26 5.622 9.028 0.442 1.00 0.00 H new ATOM 0 HD11 LEU B 26 5.922 11.436 0.018 1.00 0.00 H new ATOM 0 HD12 LEU B 26 7.427 10.525 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU B 26 6.461 11.072 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU B 26 3.733 10.379 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.184 9.971 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.637 8.693 -0.951 1.00 0.00 H new ATOM 412 N ASN B 27 4.848 5.301 -0.166 1.00 0.00 N ATOM 413 CA ASN B 27 3.716 4.402 -0.358 1.00 0.00 C ATOM 414 C ASN B 27 2.479 4.937 0.356 1.00 0.00 C ATOM 415 O ASN B 27 2.184 4.547 1.485 1.00 0.00 O ATOM 416 CB ASN B 27 4.053 3.001 0.159 1.00 0.00 C ATOM 417 CG ASN B 27 4.298 2.013 -0.964 1.00 0.00 C ATOM 418 OD1 ASN B 27 3.869 0.861 -0.899 1.00 0.00 O ATOM 419 ND2 ASN B 27 4.990 2.460 -2.005 1.00 0.00 N ATOM 0 H ASN B 27 5.245 5.284 0.773 1.00 0.00 H new ATOM 0 HA ASN B 27 3.505 4.343 -1.426 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.939 3.054 0.792 1.00 0.00 H new ATOM 0 HB3 ASN B 27 3.236 2.641 0.784 1.00 0.00 H new ATOM 0 HD21 ASN B 27 5.185 1.841 -2.792 1.00 0.00 H new ATOM 0 HD22 ASN B 27 5.327 3.423 -2.018 1.00 0.00 H new ATOM 426 N CYS B 28 1.761 5.838 -0.308 1.00 0.00 N ATOM 427 CA CYS B 28 0.560 6.433 0.269 1.00 0.00 C ATOM 428 C CYS B 28 -0.701 5.870 -0.381 1.00 0.00 C ATOM 429 O CYS B 28 -0.796 5.784 -1.605 1.00 0.00 O ATOM 430 CB CYS B 28 0.593 7.953 0.108 1.00 0.00 C ATOM 431 SG CYS B 28 0.886 8.508 -1.588 1.00 0.00 S ATOM 0 H CYS B 28 1.989 6.172 -1.244 1.00 0.00 H new ATOM 0 HA CYS B 28 0.539 6.184 1.330 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.354 8.365 0.456 1.00 0.00 H new ATOM 0 HB3 CYS B 28 1.373 8.359 0.752 1.00 0.00 H new ATOM 0 HG CYS B 28 0.895 9.807 -1.624 1.00 0.00 H new ATOM 437 N TYR B 29 -1.670 5.496 0.449 1.00 0.00 N ATOM 438 CA TYR B 29 -2.929 4.949 -0.041 1.00 0.00 C ATOM 439 C TYR B 29 -4.069 5.276 0.925 1.00 0.00 C ATOM 440 O TYR B 29 -4.083 4.817 2.069 1.00 0.00 O ATOM 441 CB TYR B 29 -2.796 3.430 -0.264 1.00 0.00 C ATOM 442 CG TYR B 29 -3.666 2.570 0.631 1.00 0.00 C ATOM 443 CD1 TYR B 29 -5.025 2.418 0.378 1.00 0.00 C ATOM 444 CD2 TYR B 29 -3.125 1.907 1.725 1.00 0.00 C ATOM 445 CE1 TYR B 29 -5.818 1.630 1.191 1.00 0.00 C ATOM 446 CE2 TYR B 29 -3.912 1.117 2.541 1.00 0.00 C ATOM 447 CZ TYR B 29 -5.256 0.982 2.271 1.00 0.00 C ATOM 448 OH TYR B 29 -6.042 0.197 3.082 1.00 0.00 O ATOM 0 H TYR B 29 -1.607 5.562 1.465 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.167 5.411 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -3.040 3.208 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -1.754 3.146 -0.113 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -5.468 2.924 -0.467 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -2.072 2.011 1.941 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -6.872 1.522 0.982 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -3.475 0.607 3.387 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.582 0.043 3.933 1.00 0.00 H new ATOM 458 N VAL B 30 -5.018 6.082 0.459 1.00 0.00 N ATOM 459 CA VAL B 30 -6.156 6.480 1.278 1.00 0.00 C ATOM 460 C VAL B 30 -7.473 6.082 0.618 1.00 0.00 C ATOM 461 O VAL B 30 -7.691 6.348 -0.565 1.00 0.00 O ATOM 462 CB VAL B 30 -6.161 7.999 1.536 1.00 0.00 C ATOM 463 CG1 VAL B 30 -4.908 8.417 2.292 1.00 0.00 C ATOM 464 CG2 VAL B 30 -6.281 8.766 0.227 1.00 0.00 C ATOM 0 H VAL B 30 -5.021 6.473 -0.483 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.058 5.959 2.231 1.00 0.00 H new ATOM 0 HB VAL B 30 -7.028 8.239 2.151 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -4.929 9.493 2.465 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -4.870 7.896 3.249 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -4.026 8.161 1.704 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -6.283 9.837 0.431 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -5.436 8.521 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -7.210 8.491 -0.272 1.00 0.00 H new ATOM 474 N SER B 31 -8.347 5.445 1.390 1.00 0.00 N ATOM 475 CA SER B 31 -9.641 5.010 0.882 1.00 0.00 C ATOM 476 C SER B 31 -9.465 3.955 -0.206 1.00 0.00 C ATOM 477 O SER B 31 -9.122 4.274 -1.343 1.00 0.00 O ATOM 478 CB SER B 31 -10.429 6.202 0.333 1.00 0.00 C ATOM 479 OG SER B 31 -10.555 7.223 1.307 1.00 0.00 O ATOM 0 H SER B 31 -8.182 5.219 2.371 1.00 0.00 H new ATOM 0 HA SER B 31 -10.199 4.569 1.708 1.00 0.00 H new ATOM 0 HB2 SER B 31 -9.927 6.598 -0.550 1.00 0.00 H new ATOM 0 HB3 SER B 31 -11.419 5.873 0.017 1.00 0.00 H new ATOM 0 HG SER B 31 -11.061 7.973 0.931 1.00 0.00 H new ATOM 485 N GLY B 32 -9.695 2.698 0.158 1.00 0.00 N ATOM 486 CA GLY B 32 -9.553 1.608 -0.792 1.00 0.00 C ATOM 487 C GLY B 32 -10.467 1.754 -1.995 1.00 0.00 C ATOM 488 O GLY B 32 -10.339 2.701 -2.770 1.00 0.00 O ATOM 0 H GLY B 32 -9.978 2.413 1.096 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -8.518 1.560 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -9.768 0.664 -0.290 1.00 0.00 H new ATOM 492 N PHE B 33 -11.389 0.808 -2.152 1.00 0.00 N ATOM 493 CA PHE B 33 -12.326 0.833 -3.272 1.00 0.00 C ATOM 494 C PHE B 33 -13.262 -0.379 -3.225 1.00 0.00 C ATOM 495 O PHE B 33 -14.235 -0.386 -2.470 1.00 0.00 O ATOM 496 CB PHE B 33 -11.569 0.887 -4.610 1.00 0.00 C ATOM 497 CG PHE B 33 -10.198 0.259 -4.578 1.00 0.00 C ATOM 498 CD1 PHE B 33 -9.951 -0.883 -3.830 1.00 0.00 C ATOM 499 CD2 PHE B 33 -9.156 0.816 -5.302 1.00 0.00 C ATOM 500 CE1 PHE B 33 -8.692 -1.453 -3.806 1.00 0.00 C ATOM 501 CE2 PHE B 33 -7.896 0.250 -5.281 1.00 0.00 C ATOM 502 CZ PHE B 33 -7.664 -0.886 -4.532 1.00 0.00 C ATOM 0 H PHE B 33 -11.507 0.016 -1.520 1.00 0.00 H new ATOM 0 HA PHE B 33 -12.935 1.733 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -12.167 0.386 -5.372 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -11.471 1.929 -4.916 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -10.751 -1.332 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -9.331 1.704 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.513 -2.342 -3.219 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -7.093 0.696 -5.850 1.00 0.00 H new ATOM 0 HZ PHE B 33 -6.680 -1.330 -4.514 1.00 0.00 H new ATOM 512 N HIS B 34 -12.970 -1.401 -4.028 1.00 0.00 N ATOM 513 CA HIS B 34 -13.788 -2.604 -4.064 1.00 0.00 C ATOM 514 C HIS B 34 -12.897 -3.843 -4.129 1.00 0.00 C ATOM 515 O HIS B 34 -11.673 -3.725 -4.153 1.00 0.00 O ATOM 516 CB HIS B 34 -14.734 -2.560 -5.266 1.00 0.00 C ATOM 517 CG HIS B 34 -16.183 -2.598 -4.889 1.00 0.00 C ATOM 518 ND1 HIS B 34 -16.783 -2.778 -3.687 1.00 0.00 N flip ATOM 519 CD2 HIS B 34 -17.204 -2.440 -5.803 1.00 0.00 C flip ATOM 520 CE1 HIS B 34 -18.138 -2.725 -3.896 1.00 0.00 C flip ATOM 521 NE2 HIS B 34 -18.366 -2.519 -5.180 1.00 0.00 N flip ATOM 0 H HIS B 34 -12.171 -1.416 -4.662 1.00 0.00 H new ATOM 0 HA HIS B 34 -14.385 -2.654 -3.154 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -14.539 -1.653 -5.838 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -14.515 -3.403 -5.921 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -17.074 -2.277 -6.863 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -18.895 -2.834 -3.134 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -19.284 -2.435 -5.617 1.00 0.00 H new ATOM 530 N PRO B 35 -13.493 -5.049 -4.155 1.00 0.00 N ATOM 531 CA PRO B 35 -12.735 -6.304 -4.215 1.00 0.00 C ATOM 532 C PRO B 35 -11.600 -6.255 -5.236 1.00 0.00 C ATOM 533 O PRO B 35 -11.779 -6.620 -6.398 1.00 0.00 O ATOM 534 CB PRO B 35 -13.795 -7.322 -4.630 1.00 0.00 C ATOM 535 CG PRO B 35 -15.059 -6.791 -4.050 1.00 0.00 C ATOM 536 CD PRO B 35 -14.951 -5.291 -4.126 1.00 0.00 C ATOM 0 HA PRO B 35 -12.244 -6.536 -3.270 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -13.860 -7.409 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -13.566 -8.315 -4.244 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -15.925 -7.149 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -15.185 -7.122 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -15.440 -4.898 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -15.420 -4.811 -3.267 1.00 0.00 H new ATOM 544 N SER B 36 -10.433 -5.804 -4.788 1.00 0.00 N ATOM 545 CA SER B 36 -9.260 -5.704 -5.650 1.00 0.00 C ATOM 546 C SER B 36 -8.024 -6.220 -4.922 1.00 0.00 C ATOM 547 O SER B 36 -8.000 -6.284 -3.692 1.00 0.00 O ATOM 548 CB SER B 36 -9.041 -4.253 -6.088 1.00 0.00 C ATOM 549 OG SER B 36 -9.818 -3.943 -7.233 1.00 0.00 O ATOM 0 H SER B 36 -10.274 -5.500 -3.827 1.00 0.00 H new ATOM 0 HA SER B 36 -9.430 -6.316 -6.536 1.00 0.00 H new ATOM 0 HB2 SER B 36 -9.305 -3.580 -5.272 1.00 0.00 H new ATOM 0 HB3 SER B 36 -7.985 -4.091 -6.306 1.00 0.00 H new ATOM 0 HG SER B 36 -9.434 -3.164 -7.688 1.00 0.00 H new ATOM 555 N ASP B 37 -7.000 -6.593 -5.682 1.00 0.00 N ATOM 556 CA ASP B 37 -5.768 -7.107 -5.096 1.00 0.00 C ATOM 557 C ASP B 37 -4.600 -6.160 -5.348 1.00 0.00 C ATOM 558 O ASP B 37 -4.142 -6.011 -6.481 1.00 0.00 O ATOM 559 CB ASP B 37 -5.448 -8.491 -5.663 1.00 0.00 C ATOM 560 CG ASP B 37 -6.504 -9.519 -5.305 1.00 0.00 C ATOM 561 OD1 ASP B 37 -7.680 -9.131 -5.143 1.00 0.00 O ATOM 562 OD2 ASP B 37 -6.154 -10.712 -5.187 1.00 0.00 O ATOM 0 H ASP B 37 -6.998 -6.549 -6.701 1.00 0.00 H new ATOM 0 HA ASP B 37 -5.918 -7.186 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -5.361 -8.425 -6.748 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -4.480 -8.821 -5.285 1.00 0.00 H new ATOM 567 N ILE B 38 -4.120 -5.529 -4.281 1.00 0.00 N ATOM 568 CA ILE B 38 -2.999 -4.602 -4.382 1.00 0.00 C ATOM 569 C ILE B 38 -1.698 -5.282 -3.975 1.00 0.00 C ATOM 570 O ILE B 38 -1.364 -5.346 -2.792 1.00 0.00 O ATOM 571 CB ILE B 38 -3.212 -3.357 -3.500 1.00 0.00 C ATOM 572 CG1 ILE B 38 -4.601 -2.767 -3.739 1.00 0.00 C ATOM 573 CG2 ILE B 38 -2.134 -2.321 -3.782 1.00 0.00 C ATOM 574 CD1 ILE B 38 -4.980 -1.696 -2.738 1.00 0.00 C ATOM 0 H ILE B 38 -4.490 -5.643 -3.337 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.938 -4.288 -5.424 1.00 0.00 H new ATOM 0 HB ILE B 38 -3.141 -3.653 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.641 -2.345 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -5.339 -3.568 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.296 -1.446 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.154 -2.747 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -2.178 -2.026 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -5.978 -1.321 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -4.973 -2.118 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -4.263 -0.877 -2.793 1.00 0.00 H new ATOM 586 N GLU B 39 -0.972 -5.796 -4.961 1.00 0.00 N ATOM 587 CA GLU B 39 0.289 -6.478 -4.700 1.00 0.00 C ATOM 588 C GLU B 39 1.480 -5.580 -5.019 1.00 0.00 C ATOM 589 O GLU B 39 2.005 -5.599 -6.134 1.00 0.00 O ATOM 590 CB GLU B 39 0.373 -7.768 -5.518 1.00 0.00 C ATOM 591 CG GLU B 39 1.606 -8.602 -5.212 1.00 0.00 C ATOM 592 CD GLU B 39 1.296 -9.807 -4.345 1.00 0.00 C ATOM 593 OE1 GLU B 39 0.225 -10.419 -4.540 1.00 0.00 O ATOM 594 OE2 GLU B 39 2.124 -10.137 -3.470 1.00 0.00 O ATOM 0 H GLU B 39 -1.234 -5.754 -5.946 1.00 0.00 H new ATOM 0 HA GLU B 39 0.323 -6.724 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -0.517 -8.367 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.368 -7.517 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU B 39 2.054 -8.938 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.346 -7.979 -4.710 1.00 0.00 H new ATOM 601 N VAL B 40 1.908 -4.801 -4.031 1.00 0.00 N ATOM 602 CA VAL B 40 3.045 -3.906 -4.205 1.00 0.00 C ATOM 603 C VAL B 40 4.338 -4.599 -3.796 1.00 0.00 C ATOM 604 O VAL B 40 4.528 -4.939 -2.628 1.00 0.00 O ATOM 605 CB VAL B 40 2.884 -2.616 -3.379 1.00 0.00 C ATOM 606 CG1 VAL B 40 4.118 -1.735 -3.515 1.00 0.00 C ATOM 607 CG2 VAL B 40 1.633 -1.862 -3.803 1.00 0.00 C ATOM 0 H VAL B 40 1.485 -4.772 -3.103 1.00 0.00 H new ATOM 0 HA VAL B 40 3.086 -3.641 -5.262 1.00 0.00 H new ATOM 0 HB VAL B 40 2.777 -2.891 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL B 40 3.985 -0.829 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL B 40 4.993 -2.277 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL B 40 4.261 -1.468 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL B 40 1.536 -0.954 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL B 40 1.707 -1.599 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL B 40 0.758 -2.493 -3.647 1.00 0.00 H new ATOM 617 N ASP B 41 5.222 -4.810 -4.763 1.00 0.00 N ATOM 618 CA ASP B 41 6.492 -5.468 -4.496 1.00 0.00 C ATOM 619 C ASP B 41 7.667 -4.641 -5.004 1.00 0.00 C ATOM 620 O ASP B 41 7.855 -4.479 -6.210 1.00 0.00 O ATOM 621 CB ASP B 41 6.515 -6.855 -5.140 1.00 0.00 C ATOM 622 CG ASP B 41 7.462 -7.803 -4.432 1.00 0.00 C ATOM 623 OD1 ASP B 41 8.410 -7.318 -3.779 1.00 0.00 O ATOM 624 OD2 ASP B 41 7.256 -9.031 -4.530 1.00 0.00 O ATOM 0 H ASP B 41 5.083 -4.536 -5.735 1.00 0.00 H new ATOM 0 HA ASP B 41 6.592 -5.569 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.509 -7.275 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP B 41 6.811 -6.763 -6.185 1.00 0.00 H new ATOM 629 N LEU B 42 8.463 -4.129 -4.071 1.00 0.00 N ATOM 630 CA LEU B 42 9.630 -3.331 -4.416 1.00 0.00 C ATOM 631 C LEU B 42 10.897 -4.167 -4.275 1.00 0.00 C ATOM 632 O LEU B 42 11.233 -4.622 -3.182 1.00 0.00 O ATOM 633 CB LEU B 42 9.708 -2.092 -3.522 1.00 0.00 C ATOM 634 CG LEU B 42 9.454 -0.763 -4.236 1.00 0.00 C ATOM 635 CD1 LEU B 42 7.974 -0.601 -4.549 1.00 0.00 C ATOM 636 CD2 LEU B 42 9.956 0.400 -3.390 1.00 0.00 C ATOM 0 H LEU B 42 8.319 -4.254 -3.069 1.00 0.00 H new ATOM 0 HA LEU B 42 9.539 -3.006 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU B 42 8.983 -2.198 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU B 42 10.695 -2.057 -3.061 1.00 0.00 H new ATOM 0 HG LEU B 42 10.004 -0.764 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU B 42 7.811 0.350 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU B 42 7.647 -1.417 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU B 42 7.402 -0.619 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU B 42 9.768 1.338 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU B 42 9.434 0.406 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU B 42 11.027 0.289 -3.218 1.00 0.00 H new ATOM 648 N LEU B 43 11.590 -4.378 -5.392 1.00 0.00 N ATOM 649 CA LEU B 43 12.815 -5.175 -5.399 1.00 0.00 C ATOM 650 C LEU B 43 12.471 -6.665 -5.320 1.00 0.00 C ATOM 651 O LEU B 43 11.384 -7.072 -5.731 1.00 0.00 O ATOM 652 CB LEU B 43 13.734 -4.758 -4.240 1.00 0.00 C ATOM 653 CG LEU B 43 15.165 -4.393 -4.644 1.00 0.00 C ATOM 654 CD1 LEU B 43 16.011 -4.119 -3.410 1.00 0.00 C ATOM 655 CD2 LEU B 43 15.788 -5.499 -5.483 1.00 0.00 C ATOM 0 H LEU B 43 11.324 -4.008 -6.305 1.00 0.00 H new ATOM 0 HA LEU B 43 13.350 -4.995 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU B 43 13.287 -3.903 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU B 43 13.774 -5.573 -3.517 1.00 0.00 H new ATOM 0 HG LEU B 43 15.129 -3.487 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU B 43 17.025 -3.861 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU B 43 15.579 -3.290 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU B 43 16.036 -5.009 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU B 43 16.804 -5.218 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU B 43 15.811 -6.424 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU B 43 15.196 -5.649 -6.386 1.00 0.00 H new ATOM 667 N LYS B 44 13.390 -7.477 -4.799 1.00 0.00 N ATOM 668 CA LYS B 44 13.162 -8.916 -4.682 1.00 0.00 C ATOM 669 C LYS B 44 13.133 -9.573 -6.058 1.00 0.00 C ATOM 670 O LYS B 44 12.684 -8.913 -7.019 1.00 0.00 O ATOM 671 CB LYS B 44 11.849 -9.196 -3.941 1.00 0.00 C ATOM 672 CG LYS B 44 12.045 -9.695 -2.517 1.00 0.00 C ATOM 673 CD LYS B 44 11.200 -8.908 -1.523 1.00 0.00 C ATOM 674 CE LYS B 44 10.262 -9.816 -0.740 1.00 0.00 C ATOM 675 NZ LYS B 44 8.853 -9.699 -1.209 1.00 0.00 N ATOM 676 OXT LYS B 44 13.560 -10.742 -6.164 1.00 0.00 O ATOM 0 H LYS B 44 14.297 -7.164 -4.452 1.00 0.00 H new ATOM 0 HA LYS B 44 13.987 -9.341 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS B 44 11.253 -8.283 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS B 44 11.277 -9.936 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS B 44 11.782 -10.751 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS B 44 13.097 -9.614 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS B 44 11.853 -8.376 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS B 44 10.618 -8.155 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS B 44 10.592 -10.850 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS B 44 10.314 -9.564 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 8.247 -10.333 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 8.528 -8.718 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 8.798 -9.964 -2.213 1.00 0.00 H new TER 690 LYS B 44 ATOM 691 N SER C 45 11.326 11.371 2.113 1.00 0.00 N ATOM 692 CA SER C 45 12.809 11.289 2.165 1.00 0.00 C ATOM 693 C SER C 45 13.283 9.840 2.125 1.00 0.00 C ATOM 694 O SER C 45 13.960 9.424 1.183 1.00 0.00 O ATOM 695 CB SER C 45 13.289 11.965 3.450 1.00 0.00 C ATOM 696 OG SER C 45 14.623 11.596 3.754 1.00 0.00 O ATOM 0 HA SER C 45 13.226 11.795 1.294 1.00 0.00 H new ATOM 0 HB2 SER C 45 13.224 13.048 3.341 1.00 0.00 H new ATOM 0 HB3 SER C 45 12.635 11.688 4.276 1.00 0.00 H new ATOM 0 HG SER C 45 14.906 12.043 4.579 1.00 0.00 H new ATOM 704 N ASN C 46 12.924 9.077 3.151 1.00 0.00 N ATOM 705 CA ASN C 46 13.315 7.674 3.234 1.00 0.00 C ATOM 706 C ASN C 46 12.120 6.759 2.983 1.00 0.00 C ATOM 707 O ASN C 46 12.010 6.141 1.925 1.00 0.00 O ATOM 708 CB ASN C 46 13.927 7.374 4.604 1.00 0.00 C ATOM 709 CG ASN C 46 15.281 6.703 4.498 1.00 0.00 C ATOM 710 OD1 ASN C 46 16.266 7.243 5.207 1.00 0.00 O flip ATOM 711 ND2 ASN C 46 15.442 5.710 3.787 1.00 0.00 N flip ATOM 0 H ASN C 46 12.363 9.406 3.937 1.00 0.00 H new ATOM 0 HA ASN C 46 14.061 7.484 2.462 1.00 0.00 H new ATOM 0 HB2 ASN C 46 14.028 8.303 5.165 1.00 0.00 H new ATOM 0 HB3 ASN C 46 13.250 6.733 5.169 1.00 0.00 H new ATOM 0 HD21 ASN C 46 14.657 5.328 3.259 1.00 0.00 H new ATOM 0 HD22 ASN C 46 16.360 5.270 3.726 1.00 0.00 H new ATOM 718 N PHE C 47 11.228 6.677 3.966 1.00 0.00 N ATOM 719 CA PHE C 47 10.043 5.836 3.850 1.00 0.00 C ATOM 720 C PHE C 47 8.807 6.556 4.383 1.00 0.00 C ATOM 721 O PHE C 47 8.808 7.066 5.502 1.00 0.00 O ATOM 722 CB PHE C 47 10.247 4.521 4.609 1.00 0.00 C ATOM 723 CG PHE C 47 9.042 3.623 4.595 1.00 0.00 C ATOM 724 CD1 PHE C 47 7.949 3.895 5.402 1.00 0.00 C ATOM 725 CD2 PHE C 47 9.002 2.508 3.773 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.838 3.074 5.389 1.00 0.00 C ATOM 727 CE2 PHE C 47 7.893 1.682 3.758 1.00 0.00 C ATOM 728 CZ PHE C 47 6.809 1.967 4.565 1.00 0.00 C ATOM 0 H PHE C 47 11.304 7.182 4.849 1.00 0.00 H new ATOM 0 HA PHE C 47 9.887 5.619 2.793 1.00 0.00 H new ATOM 0 HB2 PHE C 47 11.092 3.988 4.173 1.00 0.00 H new ATOM 0 HB3 PHE C 47 10.510 4.745 5.643 1.00 0.00 H new ATOM 0 HD1 PHE C 47 7.966 4.759 6.049 1.00 0.00 H new ATOM 0 HD2 PHE C 47 9.846 2.282 3.138 1.00 0.00 H new ATOM 0 HE1 PHE C 47 5.993 3.298 6.023 1.00 0.00 H new ATOM 0 HE2 PHE C 47 7.875 0.814 3.115 1.00 0.00 H new ATOM 0 HZ PHE C 47 5.941 1.325 4.551 1.00 0.00 H new ATOM 738 N LEU C 48 7.755 6.587 3.573 1.00 0.00 N ATOM 739 CA LEU C 48 6.508 7.237 3.960 1.00 0.00 C ATOM 740 C LEU C 48 5.309 6.364 3.602 1.00 0.00 C ATOM 741 O LEU C 48 5.011 6.153 2.427 1.00 0.00 O ATOM 742 CB LEU C 48 6.382 8.601 3.277 1.00 0.00 C ATOM 743 CG LEU C 48 7.694 9.372 3.118 1.00 0.00 C ATOM 744 CD1 LEU C 48 7.444 10.711 2.438 1.00 0.00 C ATOM 745 CD2 LEU C 48 8.364 9.574 4.471 1.00 0.00 C ATOM 0 H LEU C 48 7.741 6.169 2.643 1.00 0.00 H new ATOM 0 HA LEU C 48 6.523 7.382 5.040 1.00 0.00 H new ATOM 0 HB2 LEU C 48 5.942 8.456 2.290 1.00 0.00 H new ATOM 0 HB3 LEU C 48 5.686 9.214 3.850 1.00 0.00 H new ATOM 0 HG LEU C 48 8.365 8.786 2.489 1.00 0.00 H new ATOM 0 HD11 LEU C 48 8.387 11.247 2.332 1.00 0.00 H new ATOM 0 HD12 LEU C 48 7.010 10.543 1.452 1.00 0.00 H new ATOM 0 HD13 LEU C 48 6.756 11.303 3.042 1.00 0.00 H new ATOM 0 HD21 LEU C 48 9.295 10.124 4.337 1.00 0.00 H new ATOM 0 HD22 LEU C 48 7.700 10.139 5.125 1.00 0.00 H new ATOM 0 HD23 LEU C 48 8.577 8.604 4.920 1.00 0.00 H new ATOM 757 N ASN C 49 4.626 5.853 4.623 1.00 0.00 N ATOM 758 CA ASN C 49 3.462 4.999 4.415 1.00 0.00 C ATOM 759 C ASN C 49 2.189 5.677 4.914 1.00 0.00 C ATOM 760 O ASN C 49 2.182 6.314 5.967 1.00 0.00 O ATOM 761 CB ASN C 49 3.655 3.657 5.128 1.00 0.00 C ATOM 762 CG ASN C 49 2.439 2.757 5.018 1.00 0.00 C ATOM 763 OD1 ASN C 49 1.991 2.431 3.919 1.00 0.00 O ATOM 764 ND2 ASN C 49 1.899 2.350 6.161 1.00 0.00 N ATOM 0 H ASN C 49 4.859 6.016 5.603 1.00 0.00 H new ATOM 0 HA ASN C 49 3.359 4.823 3.344 1.00 0.00 H new ATOM 0 HB2 ASN C 49 4.520 3.146 4.705 1.00 0.00 H new ATOM 0 HB3 ASN C 49 3.875 3.837 6.180 1.00 0.00 H new ATOM 0 HD21 ASN C 49 1.080 1.742 6.150 1.00 0.00 H new ATOM 0 HD22 ASN C 49 2.304 2.645 7.050 1.00 0.00 H new ATOM 771 N CYS C 50 1.112 5.530 4.148 1.00 0.00 N ATOM 772 CA CYS C 50 -0.174 6.119 4.506 1.00 0.00 C ATOM 773 C CYS C 50 -1.306 5.122 4.269 1.00 0.00 C ATOM 774 O CYS C 50 -1.640 4.811 3.125 1.00 0.00 O ATOM 775 CB CYS C 50 -0.417 7.394 3.695 1.00 0.00 C ATOM 776 SG CYS C 50 -0.992 8.797 4.680 1.00 0.00 S ATOM 0 H CYS C 50 1.105 5.006 3.273 1.00 0.00 H new ATOM 0 HA CYS C 50 -0.153 6.374 5.566 1.00 0.00 H new ATOM 0 HB2 CYS C 50 0.508 7.673 3.191 1.00 0.00 H new ATOM 0 HB3 CYS C 50 -1.152 7.183 2.919 1.00 0.00 H new ATOM 0 HG CYS C 50 -1.167 9.827 3.907 1.00 0.00 H new ATOM 782 N TYR C 51 -1.885 4.620 5.354 1.00 0.00 N ATOM 783 CA TYR C 51 -2.972 3.651 5.262 1.00 0.00 C ATOM 784 C TYR C 51 -4.232 4.168 5.953 1.00 0.00 C ATOM 785 O TYR C 51 -4.407 3.994 7.158 1.00 0.00 O ATOM 786 CB TYR C 51 -2.532 2.313 5.875 1.00 0.00 C ATOM 787 CG TYR C 51 -3.671 1.386 6.252 1.00 0.00 C ATOM 788 CD1 TYR C 51 -4.834 1.332 5.493 1.00 0.00 C ATOM 789 CD2 TYR C 51 -3.578 0.564 7.368 1.00 0.00 C ATOM 790 CE1 TYR C 51 -5.871 0.486 5.837 1.00 0.00 C ATOM 791 CE2 TYR C 51 -4.611 -0.286 7.717 1.00 0.00 C ATOM 792 CZ TYR C 51 -5.755 -0.321 6.949 1.00 0.00 C ATOM 793 OH TYR C 51 -6.784 -1.165 7.294 1.00 0.00 O ATOM 0 H TYR C 51 -1.620 4.868 6.307 1.00 0.00 H new ATOM 0 HA TYR C 51 -3.210 3.499 4.209 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -1.883 1.800 5.166 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -1.936 2.515 6.765 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -4.929 1.961 4.620 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -2.684 0.589 7.973 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -6.769 0.457 5.237 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -4.522 -0.919 8.587 1.00 0.00 H new ATOM 0 HH TYR C 51 -7.175 -0.874 8.144 1.00 0.00 H new ATOM 803 N VAL C 52 -5.113 4.792 5.177 1.00 0.00 N ATOM 804 CA VAL C 52 -6.362 5.319 5.713 1.00 0.00 C ATOM 805 C VAL C 52 -7.505 4.341 5.469 1.00 0.00 C ATOM 806 O VAL C 52 -7.942 4.150 4.333 1.00 0.00 O ATOM 807 CB VAL C 52 -6.714 6.680 5.084 1.00 0.00 C ATOM 808 CG1 VAL C 52 -7.973 7.256 5.717 1.00 0.00 C ATOM 809 CG2 VAL C 52 -5.549 7.648 5.223 1.00 0.00 C ATOM 0 H VAL C 52 -4.985 4.945 4.177 1.00 0.00 H new ATOM 0 HA VAL C 52 -6.223 5.456 6.785 1.00 0.00 H new ATOM 0 HB VAL C 52 -6.908 6.528 4.022 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -8.204 8.217 5.258 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -8.806 6.570 5.560 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -7.812 7.394 6.786 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -5.815 8.605 4.773 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -5.322 7.794 6.279 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -4.674 7.240 4.717 1.00 0.00 H new ATOM 819 N SER C 53 -7.981 3.714 6.541 1.00 0.00 N ATOM 820 CA SER C 53 -9.068 2.744 6.441 1.00 0.00 C ATOM 821 C SER C 53 -10.295 3.352 5.767 1.00 0.00 C ATOM 822 O SER C 53 -10.264 4.494 5.306 1.00 0.00 O ATOM 823 CB SER C 53 -9.439 2.219 7.828 1.00 0.00 C ATOM 824 OG SER C 53 -8.336 2.294 8.715 1.00 0.00 O ATOM 0 H SER C 53 -7.632 3.860 7.488 1.00 0.00 H new ATOM 0 HA SER C 53 -8.720 1.915 5.825 1.00 0.00 H new ATOM 0 HB2 SER C 53 -10.271 2.798 8.228 1.00 0.00 H new ATOM 0 HB3 SER C 53 -9.777 1.186 7.750 1.00 0.00 H new ATOM 0 HG SER C 53 -7.660 1.635 8.453 1.00 0.00 H new ATOM 830 N GLY C 54 -11.373 2.576 5.707 1.00 0.00 N ATOM 831 CA GLY C 54 -12.597 3.044 5.080 1.00 0.00 C ATOM 832 C GLY C 54 -12.808 2.425 3.712 1.00 0.00 C ATOM 833 O GLY C 54 -12.897 3.132 2.709 1.00 0.00 O ATOM 0 H GLY C 54 -11.421 1.629 6.082 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -13.446 2.806 5.720 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -12.564 4.129 4.985 1.00 0.00 H new ATOM 837 N PHE C 55 -12.875 1.099 3.674 1.00 0.00 N ATOM 838 CA PHE C 55 -13.062 0.373 2.422 1.00 0.00 C ATOM 839 C PHE C 55 -13.306 -1.110 2.688 1.00 0.00 C ATOM 840 O PHE C 55 -12.890 -1.957 1.903 1.00 0.00 O ATOM 841 CB PHE C 55 -11.824 0.538 1.537 1.00 0.00 C ATOM 842 CG PHE C 55 -10.592 -0.092 2.124 1.00 0.00 C ATOM 843 CD1 PHE C 55 -10.120 0.304 3.365 1.00 0.00 C ATOM 844 CD2 PHE C 55 -9.915 -1.089 1.444 1.00 0.00 C ATOM 845 CE1 PHE C 55 -8.996 -0.281 3.914 1.00 0.00 C ATOM 846 CE2 PHE C 55 -8.790 -1.679 1.990 1.00 0.00 C ATOM 847 CZ PHE C 55 -8.333 -1.273 3.229 1.00 0.00 C ATOM 0 H PHE C 55 -12.802 0.503 4.498 1.00 0.00 H new ATOM 0 HA PHE C 55 -13.934 0.784 1.913 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -12.021 0.096 0.561 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -11.640 1.600 1.374 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -10.638 1.080 3.910 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -10.269 -1.410 0.476 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -8.637 0.040 4.881 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -8.270 -2.456 1.449 1.00 0.00 H new ATOM 0 HZ PHE C 55 -7.456 -1.734 3.659 1.00 0.00 H new ATOM 857 N HIS C 56 -13.972 -1.399 3.812 1.00 0.00 N ATOM 858 CA HIS C 56 -14.286 -2.772 4.244 1.00 0.00 C ATOM 859 C HIS C 56 -13.523 -3.848 3.451 1.00 0.00 C ATOM 860 O HIS C 56 -12.556 -4.414 3.959 1.00 0.00 O ATOM 861 CB HIS C 56 -15.803 -3.035 4.208 1.00 0.00 C ATOM 862 CG HIS C 56 -16.604 -1.970 3.512 1.00 0.00 C ATOM 863 ND1 HIS C 56 -16.590 -0.644 3.895 1.00 0.00 N ATOM 864 CD2 HIS C 56 -17.451 -2.042 2.455 1.00 0.00 C ATOM 865 CE1 HIS C 56 -17.390 0.050 3.105 1.00 0.00 C ATOM 866 NE2 HIS C 56 -17.923 -0.775 2.223 1.00 0.00 N ATOM 0 H HIS C 56 -14.312 -0.683 4.454 1.00 0.00 H new ATOM 0 HA HIS C 56 -13.943 -2.849 5.276 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -15.982 -3.989 3.712 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -16.166 -3.135 5.231 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -17.706 -2.932 1.899 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -17.576 1.112 3.170 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -18.580 -0.513 1.488 1.00 0.00 H new ATOM 875 N PRO C 57 -13.931 -4.154 2.199 1.00 0.00 N ATOM 876 CA PRO C 57 -13.255 -5.174 1.380 1.00 0.00 C ATOM 877 C PRO C 57 -11.890 -4.714 0.870 1.00 0.00 C ATOM 878 O PRO C 57 -11.318 -3.749 1.377 1.00 0.00 O ATOM 879 CB PRO C 57 -14.219 -5.364 0.207 1.00 0.00 C ATOM 880 CG PRO C 57 -14.892 -4.047 0.073 1.00 0.00 C ATOM 881 CD PRO C 57 -15.069 -3.545 1.477 1.00 0.00 C ATOM 0 HA PRO C 57 -13.051 -6.082 1.948 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -13.688 -5.635 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -14.937 -6.160 0.406 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -14.290 -3.357 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -15.852 -4.146 -0.433 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -15.039 -2.456 1.522 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -16.025 -3.855 1.898 1.00 0.00 H new ATOM 889 N SER C 58 -11.381 -5.414 -0.144 1.00 0.00 N ATOM 890 CA SER C 58 -10.089 -5.088 -0.751 1.00 0.00 C ATOM 891 C SER C 58 -8.922 -5.605 0.087 1.00 0.00 C ATOM 892 O SER C 58 -9.044 -5.800 1.298 1.00 0.00 O ATOM 893 CB SER C 58 -9.952 -3.578 -0.959 1.00 0.00 C ATOM 894 OG SER C 58 -11.221 -2.971 -1.135 1.00 0.00 O ATOM 0 H SER C 58 -11.848 -6.217 -0.566 1.00 0.00 H new ATOM 0 HA SER C 58 -10.056 -5.586 -1.720 1.00 0.00 H new ATOM 0 HB2 SER C 58 -9.448 -3.134 -0.101 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.328 -3.383 -1.831 1.00 0.00 H new ATOM 0 HG SER C 58 -11.469 -3.000 -2.083 1.00 0.00 H new ATOM 900 N ASP C 59 -7.787 -5.819 -0.577 1.00 0.00 N ATOM 901 CA ASP C 59 -6.582 -6.309 0.085 1.00 0.00 C ATOM 902 C ASP C 59 -5.383 -5.426 -0.259 1.00 0.00 C ATOM 903 O ASP C 59 -5.285 -4.901 -1.368 1.00 0.00 O ATOM 904 CB ASP C 59 -6.299 -7.756 -0.328 1.00 0.00 C ATOM 905 CG ASP C 59 -5.081 -8.330 0.370 1.00 0.00 C ATOM 906 OD1 ASP C 59 -3.980 -7.763 0.205 1.00 0.00 O ATOM 907 OD2 ASP C 59 -5.228 -9.347 1.079 1.00 0.00 O ATOM 0 H ASP C 59 -7.678 -5.659 -1.579 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.745 -6.273 1.162 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -7.169 -8.372 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -6.150 -7.800 -1.407 1.00 0.00 H new ATOM 912 N ILE C 60 -4.477 -5.262 0.700 1.00 0.00 N ATOM 913 CA ILE C 60 -3.292 -4.436 0.496 1.00 0.00 C ATOM 914 C ILE C 60 -2.025 -5.167 0.929 1.00 0.00 C ATOM 915 O ILE C 60 -1.821 -5.428 2.115 1.00 0.00 O ATOM 916 CB ILE C 60 -3.394 -3.106 1.268 1.00 0.00 C ATOM 917 CG1 ILE C 60 -4.770 -2.471 1.061 1.00 0.00 C ATOM 918 CG2 ILE C 60 -2.295 -2.151 0.828 1.00 0.00 C ATOM 919 CD1 ILE C 60 -5.866 -3.141 1.855 1.00 0.00 C ATOM 0 H ILE C 60 -4.540 -5.689 1.624 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.237 -4.225 -0.572 1.00 0.00 H new ATOM 0 HB ILE C 60 -3.267 -3.313 2.331 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.722 -1.418 1.339 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -5.024 -2.509 0.002 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -2.381 -1.217 1.383 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -1.322 -2.601 1.024 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -2.393 -1.950 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.814 -2.640 1.661 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.941 -4.188 1.560 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -5.634 -3.080 2.918 1.00 0.00 H new ATOM 931 N GLU C 61 -1.175 -5.489 -0.041 1.00 0.00 N ATOM 932 CA GLU C 61 0.076 -6.187 0.235 1.00 0.00 C ATOM 933 C GLU C 61 1.273 -5.298 -0.087 1.00 0.00 C ATOM 934 O GLU C 61 1.883 -5.424 -1.149 1.00 0.00 O ATOM 935 CB GLU C 61 0.152 -7.480 -0.580 1.00 0.00 C ATOM 936 CG GLU C 61 1.434 -8.266 -0.355 1.00 0.00 C ATOM 937 CD GLU C 61 1.284 -9.736 -0.690 1.00 0.00 C ATOM 938 OE1 GLU C 61 0.335 -10.084 -1.424 1.00 0.00 O ATOM 939 OE2 GLU C 61 2.114 -10.541 -0.218 1.00 0.00 O ATOM 0 H GLU C 61 -1.330 -5.277 -1.027 1.00 0.00 H new ATOM 0 HA GLU C 61 0.102 -6.433 1.297 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -0.700 -8.110 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU C 61 0.065 -7.238 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU C 61 2.230 -7.838 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU C 61 1.740 -8.164 0.686 1.00 0.00 H new ATOM 946 N VAL C 62 1.605 -4.399 0.835 1.00 0.00 N ATOM 947 CA VAL C 62 2.729 -3.490 0.644 1.00 0.00 C ATOM 948 C VAL C 62 4.012 -4.073 1.224 1.00 0.00 C ATOM 949 O VAL C 62 4.083 -4.379 2.414 1.00 0.00 O ATOM 950 CB VAL C 62 2.465 -2.119 1.295 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.602 -1.154 0.992 1.00 0.00 C ATOM 952 CG2 VAL C 62 1.135 -1.550 0.823 1.00 0.00 C ATOM 0 H VAL C 62 1.112 -4.281 1.720 1.00 0.00 H new ATOM 0 HA VAL C 62 2.845 -3.356 -0.432 1.00 0.00 H new ATOM 0 HB VAL C 62 2.413 -2.256 2.375 1.00 0.00 H new ATOM 0 HG11 VAL C 62 3.397 -0.191 1.460 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.536 -1.557 1.385 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.689 -1.021 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL C 62 0.966 -0.581 1.294 1.00 0.00 H new ATOM 0 HG22 VAL C 62 1.155 -1.429 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.330 -2.232 1.097 1.00 0.00 H new ATOM 962 N ASP C 63 5.026 -4.222 0.377 1.00 0.00 N ATOM 963 CA ASP C 63 6.306 -4.767 0.812 1.00 0.00 C ATOM 964 C ASP C 63 7.448 -4.222 -0.038 1.00 0.00 C ATOM 965 O ASP C 63 7.417 -4.302 -1.265 1.00 0.00 O ATOM 966 CB ASP C 63 6.284 -6.294 0.738 1.00 0.00 C ATOM 967 CG ASP C 63 7.539 -6.920 1.314 1.00 0.00 C ATOM 968 OD1 ASP C 63 8.647 -6.489 0.931 1.00 0.00 O ATOM 969 OD2 ASP C 63 7.414 -7.842 2.147 1.00 0.00 O ATOM 0 H ASP C 63 4.986 -3.974 -0.611 1.00 0.00 H new ATOM 0 HA ASP C 63 6.470 -4.462 1.845 1.00 0.00 H new ATOM 0 HB2 ASP C 63 5.414 -6.668 1.278 1.00 0.00 H new ATOM 0 HB3 ASP C 63 6.172 -6.603 -0.301 1.00 0.00 H new ATOM 974 N LEU C 64 8.460 -3.670 0.626 1.00 0.00 N ATOM 975 CA LEU C 64 9.615 -3.114 -0.069 1.00 0.00 C ATOM 976 C LEU C 64 10.915 -3.542 0.605 1.00 0.00 C ATOM 977 O LEU C 64 10.981 -3.671 1.828 1.00 0.00 O ATOM 978 CB LEU C 64 9.531 -1.583 -0.132 1.00 0.00 C ATOM 979 CG LEU C 64 8.952 -0.894 1.108 1.00 0.00 C ATOM 980 CD1 LEU C 64 7.458 -1.154 1.221 1.00 0.00 C ATOM 981 CD2 LEU C 64 9.676 -1.351 2.366 1.00 0.00 C ATOM 0 H LEU C 64 8.503 -3.596 1.642 1.00 0.00 H new ATOM 0 HA LEU C 64 9.609 -3.504 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU C 64 10.532 -1.190 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU C 64 8.924 -1.307 -0.994 1.00 0.00 H new ATOM 0 HG LEU C 64 9.102 0.180 1.001 1.00 0.00 H new ATOM 0 HD11 LEU C 64 7.068 -0.655 2.108 1.00 0.00 H new ATOM 0 HD12 LEU C 64 6.953 -0.767 0.336 1.00 0.00 H new ATOM 0 HD13 LEU C 64 7.280 -2.227 1.300 1.00 0.00 H new ATOM 0 HD21 LEU C 64 9.249 -0.849 3.234 1.00 0.00 H new ATOM 0 HD22 LEU C 64 9.564 -2.429 2.479 1.00 0.00 H new ATOM 0 HD23 LEU C 64 10.734 -1.102 2.287 1.00 0.00 H new ATOM 993 N LEU C 65 11.948 -3.763 -0.202 1.00 0.00 N ATOM 994 CA LEU C 65 13.247 -4.178 0.314 1.00 0.00 C ATOM 995 C LEU C 65 14.187 -2.983 0.444 1.00 0.00 C ATOM 996 O LEU C 65 14.739 -2.503 -0.546 1.00 0.00 O ATOM 997 CB LEU C 65 13.870 -5.235 -0.602 1.00 0.00 C ATOM 998 CG LEU C 65 13.757 -6.675 -0.098 1.00 0.00 C ATOM 999 CD1 LEU C 65 14.209 -7.651 -1.171 1.00 0.00 C ATOM 1000 CD2 LEU C 65 14.573 -6.859 1.173 1.00 0.00 C ATOM 0 H LEU C 65 11.910 -3.661 -1.216 1.00 0.00 H new ATOM 0 HA LEU C 65 13.096 -4.609 1.304 1.00 0.00 H new ATOM 0 HB2 LEU C 65 13.396 -5.170 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU C 65 14.924 -4.997 -0.742 1.00 0.00 H new ATOM 0 HG LEU C 65 12.712 -6.880 0.133 1.00 0.00 H new ATOM 0 HD11 LEU C 65 14.122 -8.671 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU C 65 13.582 -7.535 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU C 65 15.247 -7.448 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU C 65 14.482 -7.889 1.518 1.00 0.00 H new ATOM 0 HD22 LEU C 65 15.620 -6.636 0.968 1.00 0.00 H new ATOM 0 HD23 LEU C 65 14.202 -6.184 1.944 1.00 0.00 H new ATOM 1012 N LYS C 66 14.362 -2.506 1.672 1.00 0.00 N ATOM 1013 CA LYS C 66 15.236 -1.366 1.931 1.00 0.00 C ATOM 1014 C LYS C 66 14.774 -0.138 1.154 1.00 0.00 C ATOM 1015 O LYS C 66 14.003 0.665 1.721 1.00 0.00 O ATOM 1016 CB LYS C 66 16.679 -1.709 1.558 1.00 0.00 C ATOM 1017 CG LYS C 66 17.710 -1.085 2.483 1.00 0.00 C ATOM 1018 CD LYS C 66 18.893 -2.014 2.707 1.00 0.00 C ATOM 1019 CE LYS C 66 18.749 -2.798 4.001 1.00 0.00 C ATOM 1020 NZ LYS C 66 20.051 -2.947 4.708 1.00 0.00 N ATOM 1021 OXT LYS C 66 15.187 0.011 -0.015 1.00 0.00 O ATOM 0 H LYS C 66 13.911 -2.890 2.503 1.00 0.00 H new ATOM 0 HA LYS C 66 15.188 -1.137 2.996 1.00 0.00 H new ATOM 0 HB2 LYS C 66 16.801 -2.792 1.569 1.00 0.00 H new ATOM 0 HB3 LYS C 66 16.870 -1.377 0.537 1.00 0.00 H new ATOM 0 HG2 LYS C 66 18.060 -0.145 2.057 1.00 0.00 H new ATOM 0 HG3 LYS C 66 17.246 -0.848 3.440 1.00 0.00 H new ATOM 0 HD2 LYS C 66 18.977 -2.706 1.869 1.00 0.00 H new ATOM 0 HD3 LYS C 66 19.814 -1.432 2.734 1.00 0.00 H new ATOM 0 HE2 LYS C 66 18.037 -2.293 4.654 1.00 0.00 H new ATOM 0 HE3 LYS C 66 18.339 -3.784 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 19.910 -3.487 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 20.723 -3.451 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 20.431 -2.007 4.938 1.00 0.00 H new TER 1035 LYS C 66 ATOM 1036 N SER D 67 15.954 6.482 10.818 1.00 0.00 N ATOM 1037 CA SER D 67 15.715 7.127 9.500 1.00 0.00 C ATOM 1038 C SER D 67 14.286 7.647 9.392 1.00 0.00 C ATOM 1039 O SER D 67 13.478 7.467 10.303 1.00 0.00 O ATOM 1040 CB SER D 67 15.987 6.100 8.399 1.00 0.00 C ATOM 1041 OG SER D 67 14.879 5.236 8.221 1.00 0.00 O ATOM 0 HA SER D 67 16.384 7.981 9.393 1.00 0.00 H new ATOM 0 HB2 SER D 67 16.204 6.615 7.463 1.00 0.00 H new ATOM 0 HB3 SER D 67 16.871 5.515 8.654 1.00 0.00 H new ATOM 0 HG SER D 67 15.078 4.591 7.511 1.00 0.00 H new ATOM 1049 N ASN D 68 13.981 8.295 8.272 1.00 0.00 N ATOM 1050 CA ASN D 68 12.649 8.842 8.044 1.00 0.00 C ATOM 1051 C ASN D 68 11.626 7.725 7.865 1.00 0.00 C ATOM 1052 O ASN D 68 11.484 7.167 6.776 1.00 0.00 O ATOM 1053 CB ASN D 68 12.653 9.750 6.813 1.00 0.00 C ATOM 1054 CG ASN D 68 11.643 10.875 6.922 1.00 0.00 C ATOM 1055 OD1 ASN D 68 10.945 11.152 5.827 1.00 0.00 O flip ATOM 1056 ND2 ASN D 68 11.492 11.489 7.978 1.00 0.00 N flip ATOM 0 H ASN D 68 14.638 8.454 7.509 1.00 0.00 H new ATOM 0 HA ASN D 68 12.369 9.429 8.919 1.00 0.00 H new ATOM 0 HB2 ASN D 68 13.649 10.171 6.679 1.00 0.00 H new ATOM 0 HB3 ASN D 68 12.436 9.155 5.926 1.00 0.00 H new ATOM 0 HD21 ASN D 68 12.050 11.243 8.795 1.00 0.00 H new ATOM 0 HD22 ASN D 68 10.809 12.244 8.036 1.00 0.00 H new ATOM 1063 N PHE D 69 10.913 7.404 8.941 1.00 0.00 N ATOM 1064 CA PHE D 69 9.901 6.354 8.901 1.00 0.00 C ATOM 1065 C PHE D 69 8.546 6.890 9.355 1.00 0.00 C ATOM 1066 O PHE D 69 8.369 7.255 10.518 1.00 0.00 O ATOM 1067 CB PHE D 69 10.324 5.175 9.784 1.00 0.00 C ATOM 1068 CG PHE D 69 9.293 4.083 9.877 1.00 0.00 C ATOM 1069 CD1 PHE D 69 8.494 3.769 8.787 1.00 0.00 C ATOM 1070 CD2 PHE D 69 9.124 3.372 11.053 1.00 0.00 C ATOM 1071 CE1 PHE D 69 7.546 2.766 8.870 1.00 0.00 C ATOM 1072 CE2 PHE D 69 8.178 2.367 11.142 1.00 0.00 C ATOM 1073 CZ PHE D 69 7.389 2.065 10.050 1.00 0.00 C ATOM 0 H PHE D 69 11.017 7.855 9.850 1.00 0.00 H new ATOM 0 HA PHE D 69 9.807 6.009 7.871 1.00 0.00 H new ATOM 0 HB2 PHE D 69 11.250 4.754 9.393 1.00 0.00 H new ATOM 0 HB3 PHE D 69 10.540 5.544 10.787 1.00 0.00 H new ATOM 0 HD1 PHE D 69 8.614 4.315 7.863 1.00 0.00 H new ATOM 0 HD2 PHE D 69 9.738 3.605 11.911 1.00 0.00 H new ATOM 0 HE1 PHE D 69 6.930 2.531 8.015 1.00 0.00 H new ATOM 0 HE2 PHE D 69 8.057 1.819 12.065 1.00 0.00 H new ATOM 0 HZ PHE D 69 6.649 1.281 10.118 1.00 0.00 H new ATOM 1083 N LEU D 70 7.592 6.930 8.430 1.00 0.00 N ATOM 1084 CA LEU D 70 6.252 7.419 8.735 1.00 0.00 C ATOM 1085 C LEU D 70 5.202 6.356 8.419 1.00 0.00 C ATOM 1086 O LEU D 70 4.812 6.180 7.265 1.00 0.00 O ATOM 1087 CB LEU D 70 5.959 8.697 7.945 1.00 0.00 C ATOM 1088 CG LEU D 70 5.239 9.793 8.733 1.00 0.00 C ATOM 1089 CD1 LEU D 70 6.002 10.123 10.005 1.00 0.00 C ATOM 1090 CD2 LEU D 70 5.065 11.038 7.876 1.00 0.00 C ATOM 0 H LEU D 70 7.722 6.630 7.464 1.00 0.00 H new ATOM 0 HA LEU D 70 6.207 7.644 9.801 1.00 0.00 H new ATOM 0 HB2 LEU D 70 6.901 9.099 7.570 1.00 0.00 H new ATOM 0 HB3 LEU D 70 5.354 8.438 7.076 1.00 0.00 H new ATOM 0 HG LEU D 70 4.251 9.426 9.011 1.00 0.00 H new ATOM 0 HD11 LEU D 70 5.475 10.904 10.553 1.00 0.00 H new ATOM 0 HD12 LEU D 70 6.076 9.231 10.627 1.00 0.00 H new ATOM 0 HD13 LEU D 70 7.003 10.471 9.749 1.00 0.00 H new ATOM 0 HD21 LEU D 70 4.551 11.807 8.452 1.00 0.00 H new ATOM 0 HD22 LEU D 70 6.043 11.408 7.568 1.00 0.00 H new ATOM 0 HD23 LEU D 70 4.476 10.792 6.993 1.00 0.00 H new ATOM 1102 N ASN D 71 4.750 5.652 9.452 1.00 0.00 N ATOM 1103 CA ASN D 71 3.747 4.606 9.285 1.00 0.00 C ATOM 1104 C ASN D 71 2.342 5.157 9.519 1.00 0.00 C ATOM 1105 O ASN D 71 1.575 4.615 10.314 1.00 0.00 O ATOM 1106 CB ASN D 71 4.023 3.448 10.247 1.00 0.00 C ATOM 1107 CG ASN D 71 4.141 3.908 11.688 1.00 0.00 C ATOM 1108 OD1 ASN D 71 4.999 4.726 12.022 1.00 0.00 O ATOM 1109 ND2 ASN D 71 3.278 3.383 12.550 1.00 0.00 N ATOM 0 H ASN D 71 5.062 5.787 10.414 1.00 0.00 H new ATOM 0 HA ASN D 71 3.807 4.239 8.260 1.00 0.00 H new ATOM 0 HB2 ASN D 71 3.221 2.714 10.167 1.00 0.00 H new ATOM 0 HB3 ASN D 71 4.945 2.946 9.952 1.00 0.00 H new ATOM 0 HD21 ASN D 71 3.310 3.654 13.533 1.00 0.00 H new ATOM 0 HD22 ASN D 71 2.583 2.708 12.229 1.00 0.00 H new ATOM 1116 N CYS D 72 2.011 6.238 8.818 1.00 0.00 N ATOM 1117 CA CYS D 72 0.700 6.861 8.948 1.00 0.00 C ATOM 1118 C CYS D 72 -0.403 5.868 8.597 1.00 0.00 C ATOM 1119 O CYS D 72 -0.417 5.304 7.504 1.00 0.00 O ATOM 1120 CB CYS D 72 0.601 8.092 8.046 1.00 0.00 C ATOM 1121 SG CYS D 72 1.613 9.489 8.589 1.00 0.00 S ATOM 0 H CYS D 72 2.633 6.700 8.155 1.00 0.00 H new ATOM 0 HA CYS D 72 0.573 7.173 9.985 1.00 0.00 H new ATOM 0 HB2 CYS D 72 0.898 7.813 7.035 1.00 0.00 H new ATOM 0 HB3 CYS D 72 -0.441 8.410 7.996 1.00 0.00 H new ATOM 0 HG CYS D 72 1.464 10.480 7.762 1.00 0.00 H new ATOM 1127 N TYR D 73 -1.322 5.654 9.532 1.00 0.00 N ATOM 1128 CA TYR D 73 -2.421 4.722 9.313 1.00 0.00 C ATOM 1129 C TYR D 73 -3.412 4.750 10.475 1.00 0.00 C ATOM 1130 O TYR D 73 -3.018 4.745 11.641 1.00 0.00 O ATOM 1131 CB TYR D 73 -1.877 3.304 9.110 1.00 0.00 C ATOM 1132 CG TYR D 73 -1.338 2.652 10.369 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -0.647 3.388 11.327 1.00 0.00 C ATOM 1134 CD2 TYR D 73 -1.521 1.293 10.595 1.00 0.00 C ATOM 1135 CE1 TYR D 73 -0.157 2.787 12.471 1.00 0.00 C ATOM 1136 CE2 TYR D 73 -1.034 0.686 11.737 1.00 0.00 C ATOM 1137 CZ TYR D 73 -0.354 1.436 12.671 1.00 0.00 C ATOM 1138 OH TYR D 73 0.134 0.836 13.808 1.00 0.00 O ATOM 0 H TYR D 73 -1.328 6.111 10.444 1.00 0.00 H new ATOM 0 HA TYR D 73 -2.953 5.031 8.413 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -2.671 2.678 8.703 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -1.083 3.336 8.364 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -0.491 4.446 11.174 1.00 0.00 H new ATOM 0 HD2 TYR D 73 -2.053 0.701 9.865 1.00 0.00 H new ATOM 0 HE1 TYR D 73 0.378 3.372 13.205 1.00 0.00 H new ATOM 0 HE2 TYR D 73 -1.186 -0.371 11.896 1.00 0.00 H new ATOM 0 HH TYR D 73 -0.090 -0.118 13.796 1.00 0.00 H new ATOM 1148 N VAL D 74 -4.702 4.780 10.145 1.00 0.00 N ATOM 1149 CA VAL D 74 -5.751 4.812 11.159 1.00 0.00 C ATOM 1150 C VAL D 74 -7.139 4.811 10.519 1.00 0.00 C ATOM 1151 O VAL D 74 -7.282 5.150 9.344 1.00 0.00 O ATOM 1152 CB VAL D 74 -5.611 6.050 12.067 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -5.769 7.330 11.260 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -6.620 6.000 13.205 1.00 0.00 C ATOM 0 H VAL D 74 -5.044 4.783 9.184 1.00 0.00 H new ATOM 0 HA VAL D 74 -5.637 3.912 11.764 1.00 0.00 H new ATOM 0 HB VAL D 74 -4.611 6.044 12.500 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -5.667 8.191 11.920 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -5.000 7.371 10.488 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -6.754 7.346 10.792 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -6.504 6.883 13.833 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -7.630 5.977 12.795 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -6.450 5.104 13.803 1.00 0.00 H new ATOM 1164 N SER D 75 -8.148 4.425 11.315 1.00 0.00 N ATOM 1165 CA SER D 75 -9.556 4.361 10.884 1.00 0.00 C ATOM 1166 C SER D 75 -10.082 2.929 10.974 1.00 0.00 C ATOM 1167 O SER D 75 -9.359 2.017 11.377 1.00 0.00 O ATOM 1168 CB SER D 75 -9.763 4.905 9.464 1.00 0.00 C ATOM 1169 OG SER D 75 -9.466 6.289 9.401 1.00 0.00 O ATOM 0 H SER D 75 -8.010 4.145 12.286 1.00 0.00 H new ATOM 0 HA SER D 75 -10.120 5.000 11.564 1.00 0.00 H new ATOM 0 HB2 SER D 75 -9.127 4.361 8.766 1.00 0.00 H new ATOM 0 HB3 SER D 75 -10.794 4.736 9.153 1.00 0.00 H new ATOM 0 HG SER D 75 -8.531 6.411 9.133 1.00 0.00 H new ATOM 1175 N GLY D 76 -11.350 2.741 10.614 1.00 0.00 N ATOM 1176 CA GLY D 76 -11.954 1.421 10.680 1.00 0.00 C ATOM 1177 C GLY D 76 -11.935 0.681 9.354 1.00 0.00 C ATOM 1178 O GLY D 76 -11.932 1.296 8.288 1.00 0.00 O ATOM 0 H GLY D 76 -11.969 3.479 10.278 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -11.428 0.826 11.427 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -12.986 1.518 11.018 1.00 0.00 H new ATOM 1182 N PHE D 77 -11.931 -0.648 9.430 1.00 0.00 N ATOM 1183 CA PHE D 77 -11.917 -1.492 8.235 1.00 0.00 C ATOM 1184 C PHE D 77 -12.361 -2.917 8.561 1.00 0.00 C ATOM 1185 O PHE D 77 -12.946 -3.595 7.720 1.00 0.00 O ATOM 1186 CB PHE D 77 -10.520 -1.519 7.615 1.00 0.00 C ATOM 1187 CG PHE D 77 -9.446 -1.942 8.578 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -9.190 -3.285 8.803 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -8.693 -0.996 9.255 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -8.202 -3.677 9.687 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -7.704 -1.383 10.140 1.00 0.00 C ATOM 1192 CZ PHE D 77 -7.458 -2.724 10.356 1.00 0.00 C ATOM 0 H PHE D 77 -11.937 -1.166 10.309 1.00 0.00 H new ATOM 0 HA PHE D 77 -12.620 -1.064 7.520 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -10.522 -2.199 6.763 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -10.282 -0.527 7.230 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -9.769 -4.034 8.282 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -8.881 0.055 9.090 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -8.012 -4.727 9.854 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -7.124 -0.636 10.662 1.00 0.00 H new ATOM 0 HZ PHE D 77 -6.685 -3.028 11.047 1.00 0.00 H new ATOM 1202 N HIS D 78 -12.062 -3.359 9.786 1.00 0.00 N ATOM 1203 CA HIS D 78 -12.409 -4.703 10.260 1.00 0.00 C ATOM 1204 C HIS D 78 -12.334 -5.762 9.144 1.00 0.00 C ATOM 1205 O HIS D 78 -11.277 -6.363 8.951 1.00 0.00 O ATOM 1206 CB HIS D 78 -13.779 -4.697 10.946 1.00 0.00 C ATOM 1207 CG HIS D 78 -13.719 -4.309 12.391 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -14.813 -4.360 13.229 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -12.686 -3.868 13.149 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -14.457 -3.966 14.440 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -13.172 -3.663 14.417 1.00 0.00 N ATOM 0 H HIS D 78 -11.571 -2.794 10.479 1.00 0.00 H new ATOM 0 HA HIS D 78 -11.660 -4.989 10.998 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -14.438 -4.007 10.419 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -14.224 -5.689 10.862 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -11.671 -3.708 12.818 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -15.106 -3.903 15.301 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -12.628 -3.330 15.213 1.00 0.00 H new ATOM 1220 N PRO D 79 -13.430 -6.033 8.391 1.00 0.00 N ATOM 1221 CA PRO D 79 -13.401 -7.042 7.321 1.00 0.00 C ATOM 1222 C PRO D 79 -12.548 -6.619 6.123 1.00 0.00 C ATOM 1223 O PRO D 79 -13.037 -6.557 4.996 1.00 0.00 O ATOM 1224 CB PRO D 79 -14.870 -7.167 6.909 1.00 0.00 C ATOM 1225 CG PRO D 79 -15.463 -5.848 7.254 1.00 0.00 C ATOM 1226 CD PRO D 79 -14.767 -5.409 8.510 1.00 0.00 C ATOM 0 HA PRO D 79 -12.954 -7.975 7.665 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -14.968 -7.381 5.845 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -15.365 -7.978 7.444 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -15.312 -5.128 6.450 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -16.539 -5.930 7.410 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -14.700 -4.323 8.575 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -15.293 -5.750 9.402 1.00 0.00 H new ATOM 1234 N SER D 80 -11.271 -6.340 6.373 1.00 0.00 N ATOM 1235 CA SER D 80 -10.355 -5.935 5.311 1.00 0.00 C ATOM 1236 C SER D 80 -9.020 -6.663 5.449 1.00 0.00 C ATOM 1237 O SER D 80 -8.655 -7.104 6.539 1.00 0.00 O ATOM 1238 CB SER D 80 -10.136 -4.419 5.340 1.00 0.00 C ATOM 1239 OG SER D 80 -9.042 -4.071 6.173 1.00 0.00 O ATOM 0 H SER D 80 -10.848 -6.387 7.300 1.00 0.00 H new ATOM 0 HA SER D 80 -10.801 -6.204 4.354 1.00 0.00 H new ATOM 0 HB2 SER D 80 -9.955 -4.056 4.328 1.00 0.00 H new ATOM 0 HB3 SER D 80 -11.040 -3.926 5.698 1.00 0.00 H new ATOM 0 HG SER D 80 -9.368 -3.564 6.946 1.00 0.00 H new ATOM 1245 N ASP D 81 -8.297 -6.793 4.340 1.00 0.00 N ATOM 1246 CA ASP D 81 -7.007 -7.475 4.349 1.00 0.00 C ATOM 1247 C ASP D 81 -5.861 -6.493 4.126 1.00 0.00 C ATOM 1248 O ASP D 81 -5.579 -6.100 2.994 1.00 0.00 O ATOM 1249 CB ASP D 81 -6.977 -8.564 3.275 1.00 0.00 C ATOM 1250 CG ASP D 81 -6.087 -9.730 3.660 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -4.953 -9.485 4.120 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -6.526 -10.888 3.500 1.00 0.00 O ATOM 0 H ASP D 81 -8.581 -6.437 3.428 1.00 0.00 H new ATOM 0 HA ASP D 81 -6.877 -7.933 5.329 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -7.990 -8.926 3.100 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -6.625 -8.136 2.337 1.00 0.00 H new ATOM 1257 N ILE D 82 -5.201 -6.102 5.211 1.00 0.00 N ATOM 1258 CA ILE D 82 -4.084 -5.167 5.131 1.00 0.00 C ATOM 1259 C ILE D 82 -2.816 -5.766 5.733 1.00 0.00 C ATOM 1260 O ILE D 82 -2.870 -6.496 6.723 1.00 0.00 O ATOM 1261 CB ILE D 82 -4.397 -3.836 5.848 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -5.356 -4.062 7.022 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -4.983 -2.834 4.866 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -4.754 -4.878 8.145 1.00 0.00 C ATOM 0 H ILE D 82 -5.420 -6.418 6.156 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.924 -4.968 4.071 1.00 0.00 H new ATOM 0 HB ILE D 82 -3.466 -3.432 6.245 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.671 -3.095 7.415 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.252 -4.565 6.658 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -5.199 -1.900 5.385 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -4.267 -2.647 4.066 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -5.904 -3.235 4.443 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -5.488 -4.998 8.941 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -4.464 -5.859 7.767 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -3.875 -4.366 8.536 1.00 0.00 H new ATOM 1276 N GLU D 83 -1.675 -5.447 5.129 1.00 0.00 N ATOM 1277 CA GLU D 83 -0.389 -5.947 5.604 1.00 0.00 C ATOM 1278 C GLU D 83 0.750 -5.055 5.119 1.00 0.00 C ATOM 1279 O GLU D 83 0.901 -4.821 3.919 1.00 0.00 O ATOM 1280 CB GLU D 83 -0.168 -7.386 5.133 1.00 0.00 C ATOM 1281 CG GLU D 83 -0.251 -7.553 3.624 1.00 0.00 C ATOM 1282 CD GLU D 83 -0.054 -8.991 3.184 1.00 0.00 C ATOM 1283 OE1 GLU D 83 -0.155 -9.894 4.042 1.00 0.00 O ATOM 1284 OE2 GLU D 83 0.201 -9.214 1.983 1.00 0.00 O ATOM 0 H GLU D 83 -1.615 -4.844 4.309 1.00 0.00 H new ATOM 0 HA GLU D 83 -0.400 -5.932 6.694 1.00 0.00 H new ATOM 0 HB2 GLU D 83 0.810 -7.725 5.474 1.00 0.00 H new ATOM 0 HB3 GLU D 83 -0.910 -8.031 5.603 1.00 0.00 H new ATOM 0 HG2 GLU D 83 -1.222 -7.200 3.276 1.00 0.00 H new ATOM 0 HG3 GLU D 83 0.504 -6.926 3.151 1.00 0.00 H new ATOM 1291 N VAL D 84 1.544 -4.555 6.061 1.00 0.00 N ATOM 1292 CA VAL D 84 2.666 -3.683 5.734 1.00 0.00 C ATOM 1293 C VAL D 84 4.001 -4.359 6.035 1.00 0.00 C ATOM 1294 O VAL D 84 4.194 -4.922 7.112 1.00 0.00 O ATOM 1295 CB VAL D 84 2.588 -2.357 6.515 1.00 0.00 C ATOM 1296 CG1 VAL D 84 3.651 -1.381 6.029 1.00 0.00 C ATOM 1297 CG2 VAL D 84 1.198 -1.750 6.395 1.00 0.00 C ATOM 0 H VAL D 84 1.431 -4.739 7.058 1.00 0.00 H new ATOM 0 HA VAL D 84 2.603 -3.475 4.666 1.00 0.00 H new ATOM 0 HB VAL D 84 2.780 -2.566 7.568 1.00 0.00 H new ATOM 0 HG11 VAL D 84 3.577 -0.452 6.594 1.00 0.00 H new ATOM 0 HG12 VAL D 84 4.639 -1.817 6.175 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.498 -1.174 4.970 1.00 0.00 H new ATOM 0 HG21 VAL D 84 1.160 -0.814 6.952 1.00 0.00 H new ATOM 0 HG22 VAL D 84 0.975 -1.557 5.346 1.00 0.00 H new ATOM 0 HG23 VAL D 84 0.462 -2.444 6.801 1.00 0.00 H new ATOM 1307 N ASP D 85 4.919 -4.296 5.076 1.00 0.00 N ATOM 1308 CA ASP D 85 6.238 -4.899 5.237 1.00 0.00 C ATOM 1309 C ASP D 85 7.338 -3.892 4.913 1.00 0.00 C ATOM 1310 O ASP D 85 7.577 -3.573 3.748 1.00 0.00 O ATOM 1311 CB ASP D 85 6.375 -6.128 4.337 1.00 0.00 C ATOM 1312 CG ASP D 85 5.230 -7.106 4.517 1.00 0.00 C ATOM 1313 OD1 ASP D 85 4.121 -6.818 4.021 1.00 0.00 O ATOM 1314 OD2 ASP D 85 5.444 -8.158 5.153 1.00 0.00 O ATOM 0 H ASP D 85 4.774 -3.833 4.179 1.00 0.00 H new ATOM 0 HA ASP D 85 6.345 -5.207 6.277 1.00 0.00 H new ATOM 0 HB2 ASP D 85 6.417 -5.809 3.295 1.00 0.00 H new ATOM 0 HB3 ASP D 85 7.317 -6.631 4.555 1.00 0.00 H new ATOM 1319 N LEU D 86 8.002 -3.393 5.952 1.00 0.00 N ATOM 1320 CA LEU D 86 9.075 -2.420 5.776 1.00 0.00 C ATOM 1321 C LEU D 86 10.434 -3.054 6.050 1.00 0.00 C ATOM 1322 O LEU D 86 10.834 -3.211 7.204 1.00 0.00 O ATOM 1323 CB LEU D 86 8.873 -1.217 6.705 1.00 0.00 C ATOM 1324 CG LEU D 86 7.417 -0.825 6.983 1.00 0.00 C ATOM 1325 CD1 LEU D 86 6.604 -0.810 5.698 1.00 0.00 C ATOM 1326 CD2 LEU D 86 6.794 -1.768 8.001 1.00 0.00 C ATOM 0 H LEU D 86 7.816 -3.646 6.923 1.00 0.00 H new ATOM 0 HA LEU D 86 9.047 -2.079 4.741 1.00 0.00 H new ATOM 0 HB2 LEU D 86 9.360 -1.431 7.657 1.00 0.00 H new ATOM 0 HB3 LEU D 86 9.384 -0.357 6.272 1.00 0.00 H new ATOM 0 HG LEU D 86 7.411 0.183 7.399 1.00 0.00 H new ATOM 0 HD11 LEU D 86 5.575 -0.529 5.922 1.00 0.00 H new ATOM 0 HD12 LEU D 86 7.034 -0.088 5.004 1.00 0.00 H new ATOM 0 HD13 LEU D 86 6.619 -1.802 5.246 1.00 0.00 H new ATOM 0 HD21 LEU D 86 5.761 -1.474 8.185 1.00 0.00 H new ATOM 0 HD22 LEU D 86 6.818 -2.787 7.615 1.00 0.00 H new ATOM 0 HD23 LEU D 86 7.357 -1.720 8.933 1.00 0.00 H new ATOM 1338 N LEU D 87 11.143 -3.416 4.985 1.00 0.00 N ATOM 1339 CA LEU D 87 12.458 -4.030 5.118 1.00 0.00 C ATOM 1340 C LEU D 87 12.382 -5.307 5.949 1.00 0.00 C ATOM 1341 O LEU D 87 12.252 -5.256 7.173 1.00 0.00 O ATOM 1342 CB LEU D 87 13.436 -3.043 5.762 1.00 0.00 C ATOM 1343 CG LEU D 87 14.830 -3.603 6.049 1.00 0.00 C ATOM 1344 CD1 LEU D 87 15.483 -4.095 4.767 1.00 0.00 C ATOM 1345 CD2 LEU D 87 15.699 -2.548 6.718 1.00 0.00 C ATOM 0 H LEU D 87 10.829 -3.295 4.022 1.00 0.00 H new ATOM 0 HA LEU D 87 12.815 -4.291 4.122 1.00 0.00 H new ATOM 0 HB2 LEU D 87 13.537 -2.177 5.108 1.00 0.00 H new ATOM 0 HB3 LEU D 87 13.005 -2.687 6.698 1.00 0.00 H new ATOM 0 HG LEU D 87 14.728 -4.449 6.729 1.00 0.00 H new ATOM 0 HD11 LEU D 87 16.474 -4.490 4.992 1.00 0.00 H new ATOM 0 HD12 LEU D 87 14.871 -4.881 4.325 1.00 0.00 H new ATOM 0 HD13 LEU D 87 15.573 -3.267 4.064 1.00 0.00 H new ATOM 0 HD21 LEU D 87 16.688 -2.963 6.915 1.00 0.00 H new ATOM 0 HD22 LEU D 87 15.793 -1.684 6.061 1.00 0.00 H new ATOM 0 HD23 LEU D 87 15.240 -2.241 7.658 1.00 0.00 H new ATOM 1357 N LYS D 88 12.465 -6.452 5.278 1.00 0.00 N ATOM 1358 CA LYS D 88 12.405 -7.742 5.955 1.00 0.00 C ATOM 1359 C LYS D 88 13.257 -8.778 5.229 1.00 0.00 C ATOM 1360 O LYS D 88 14.028 -9.489 5.906 1.00 0.00 O ATOM 1361 CB LYS D 88 10.958 -8.227 6.043 1.00 0.00 C ATOM 1362 CG LYS D 88 10.215 -7.705 7.262 1.00 0.00 C ATOM 1363 CD LYS D 88 8.766 -7.381 6.935 1.00 0.00 C ATOM 1364 CE LYS D 88 7.832 -8.500 7.368 1.00 0.00 C ATOM 1365 NZ LYS D 88 7.517 -9.428 6.247 1.00 0.00 N ATOM 1366 OXT LYS D 88 13.145 -8.870 3.988 1.00 0.00 O ATOM 0 H LYS D 88 12.574 -6.512 4.266 1.00 0.00 H new ATOM 0 HA LYS D 88 12.801 -7.614 6.963 1.00 0.00 H new ATOM 0 HB2 LYS D 88 10.425 -7.919 5.143 1.00 0.00 H new ATOM 0 HB3 LYS D 88 10.949 -9.317 6.061 1.00 0.00 H new ATOM 0 HG2 LYS D 88 10.252 -8.449 8.058 1.00 0.00 H new ATOM 0 HG3 LYS D 88 10.713 -6.811 7.638 1.00 0.00 H new ATOM 0 HD2 LYS D 88 8.479 -6.454 7.431 1.00 0.00 H new ATOM 0 HD3 LYS D 88 8.663 -7.214 5.863 1.00 0.00 H new ATOM 0 HE2 LYS D 88 8.290 -9.059 8.184 1.00 0.00 H new ATOM 0 HE3 LYS D 88 6.907 -8.071 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS D 88 7.324 -10.377 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS D 88 6.680 -9.083 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS D 88 8.327 -9.473 5.596 1.00 0.00 H new TER 1380 LYS D 88