USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 708 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 59 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.023 USER MOD Single : A 42 GLN : amide:sc= -0.386 K(o=-0.39,f=-2.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.776 (180deg=0.701) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -178:sc= -1.92 (180deg=-1.92) USER MOD Single : A 51 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 166:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 24:sc= 0.298 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc=-0.00545 X(o=-0.0055,f=-0.069) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.135 X(o=0.14,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.19) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl -165:sc= -0.396 (180deg=-0.838) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 60 TYR OH : rot 150:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -165:sc= 1.02 (180deg=0.859) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ARG A 32 -6.856 10.784 -11.304 1.00 0.00 N ATOM 16 CA ARG A 32 -6.102 10.622 -10.057 1.00 0.00 C ATOM 17 C ARG A 32 -4.619 10.319 -10.342 1.00 0.00 C ATOM 18 O ARG A 32 -4.230 9.172 -10.569 1.00 0.00 O ATOM 19 CB ARG A 32 -6.745 9.532 -9.178 1.00 0.00 C ATOM 20 CG ARG A 32 -8.219 9.776 -8.824 1.00 0.00 C ATOM 21 CD ARG A 32 -8.456 11.112 -8.115 1.00 0.00 C ATOM 22 NE ARG A 32 -9.860 11.236 -7.707 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.362 12.140 -6.884 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.632 13.086 -6.355 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.625 12.113 -6.571 1.00 0.00 N ATOM 0 HA ARG A 32 -6.139 11.562 -9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.663 8.575 -9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.173 9.446 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.815 9.746 -9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.572 8.966 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.809 11.186 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.190 11.935 -8.779 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.513 10.557 -8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.637 13.145 -6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.057 13.765 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.232 11.392 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.008 12.813 -5.935 1.00 0.00 H new ATOM 39 N ALA A 33 -3.791 11.364 -10.340 1.00 0.00 N ATOM 40 CA ALA A 33 -2.331 11.244 -10.303 1.00 0.00 C ATOM 41 C ALA A 33 -1.864 10.516 -9.021 1.00 0.00 C ATOM 42 O ALA A 33 -2.257 10.901 -7.915 1.00 0.00 O ATOM 43 CB ALA A 33 -1.730 12.652 -10.383 1.00 0.00 C ATOM 0 H ALA A 33 -4.118 12.330 -10.364 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.991 10.648 -11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.642 12.585 -10.357 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.042 13.129 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.078 13.245 -9.537 1.00 0.00 H new ATOM 49 N VAL A 34 -1.028 9.481 -9.150 1.00 0.00 N ATOM 50 CA VAL A 34 -0.526 8.644 -8.051 1.00 0.00 C ATOM 51 C VAL A 34 0.901 8.193 -8.346 1.00 0.00 C ATOM 52 O VAL A 34 1.172 7.515 -9.333 1.00 0.00 O ATOM 53 CB VAL A 34 -1.424 7.420 -7.755 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.905 6.686 -6.512 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.881 7.793 -7.456 1.00 0.00 C ATOM 0 H VAL A 34 -0.667 9.190 -10.059 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.542 9.263 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.389 6.805 -8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.540 5.824 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.117 6.350 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.922 7.362 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.455 6.888 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.918 8.445 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.307 8.312 -8.315 1.00 0.00 H new ATOM 65 N SER A 35 1.805 8.603 -7.469 1.00 0.00 N ATOM 66 CA SER A 35 3.261 8.489 -7.599 1.00 0.00 C ATOM 67 C SER A 35 3.902 7.732 -6.424 1.00 0.00 C ATOM 68 O SER A 35 3.655 8.056 -5.257 1.00 0.00 O ATOM 69 CB SER A 35 3.857 9.893 -7.727 1.00 0.00 C ATOM 70 OG SER A 35 5.266 9.852 -7.895 1.00 0.00 O ATOM 0 H SER A 35 1.532 9.051 -6.594 1.00 0.00 H new ATOM 0 HA SER A 35 3.478 7.905 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.404 10.405 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.613 10.474 -6.838 1.00 0.00 H new ATOM 0 HG SER A 35 5.613 10.765 -7.975 1.00 0.00 H new ATOM 76 N LEU A 36 4.721 6.723 -6.735 1.00 0.00 N ATOM 77 CA LEU A 36 5.395 5.836 -5.783 1.00 0.00 C ATOM 78 C LEU A 36 6.902 5.691 -6.064 1.00 0.00 C ATOM 79 O LEU A 36 7.414 6.028 -7.135 1.00 0.00 O ATOM 80 CB LEU A 36 4.715 4.441 -5.772 1.00 0.00 C ATOM 81 CG LEU A 36 3.453 4.240 -4.912 1.00 0.00 C ATOM 82 CD1 LEU A 36 3.618 4.823 -3.508 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.179 4.784 -5.549 1.00 0.00 C ATOM 0 H LEU A 36 4.942 6.492 -7.703 1.00 0.00 H new ATOM 0 HA LEU A 36 5.299 6.298 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.457 4.191 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.458 3.714 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 36 3.339 3.158 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.705 4.659 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.453 4.333 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.814 5.893 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.334 4.605 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.286 5.855 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.004 4.281 -6.500 1.00 0.00 H new ATOM 95 N TYR A 37 7.584 5.123 -5.071 1.00 0.00 N ATOM 96 CA TYR A 37 9.039 5.018 -4.948 1.00 0.00 C ATOM 97 C TYR A 37 9.469 3.547 -4.919 1.00 0.00 C ATOM 98 O TYR A 37 9.560 2.907 -3.867 1.00 0.00 O ATOM 99 CB TYR A 37 9.500 5.814 -3.722 1.00 0.00 C ATOM 100 CG TYR A 37 9.402 7.314 -3.933 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.470 8.000 -4.539 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.233 8.016 -3.576 1.00 0.00 C ATOM 103 CE1 TYR A 37 10.384 9.383 -4.769 1.00 0.00 C ATOM 104 CE2 TYR A 37 8.140 9.399 -3.827 1.00 0.00 C ATOM 105 CZ TYR A 37 9.216 10.083 -4.416 1.00 0.00 C ATOM 106 OH TYR A 37 9.121 11.423 -4.645 1.00 0.00 O ATOM 0 H TYR A 37 7.105 4.696 -4.279 1.00 0.00 H new ATOM 0 HA TYR A 37 9.528 5.455 -5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.895 5.531 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.531 5.550 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.360 7.461 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.410 7.494 -3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.214 9.909 -5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.239 9.935 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 37 8.247 11.746 -4.342 1.00 0.00 H new ATOM 116 N PHE A 38 9.613 2.986 -6.115 1.00 0.00 N ATOM 117 CA PHE A 38 10.007 1.609 -6.393 1.00 0.00 C ATOM 118 C PHE A 38 11.528 1.390 -6.223 1.00 0.00 C ATOM 119 O PHE A 38 12.282 2.327 -5.936 1.00 0.00 O ATOM 120 CB PHE A 38 9.533 1.319 -7.829 1.00 0.00 C ATOM 121 CG PHE A 38 8.113 0.791 -7.927 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.021 1.596 -7.545 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.878 -0.501 -8.436 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.707 1.117 -7.684 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.565 -0.987 -8.553 1.00 0.00 C ATOM 126 CZ PHE A 38 5.480 -0.177 -8.178 1.00 0.00 C ATOM 0 H PHE A 38 9.447 3.515 -6.971 1.00 0.00 H new ATOM 0 HA PHE A 38 9.551 0.919 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.608 2.235 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.209 0.594 -8.282 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.194 2.584 -7.144 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.710 -1.120 -8.737 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.872 1.745 -7.411 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.390 -1.983 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.471 -0.550 -8.270 1.00 0.00 H new ATOM 136 N SER A 39 11.993 0.163 -6.467 1.00 0.00 N ATOM 137 CA SER A 39 13.418 -0.171 -6.534 1.00 0.00 C ATOM 138 C SER A 39 13.753 -1.063 -7.735 1.00 0.00 C ATOM 139 O SER A 39 12.859 -1.570 -8.421 1.00 0.00 O ATOM 140 CB SER A 39 13.873 -0.771 -5.195 1.00 0.00 C ATOM 141 OG SER A 39 15.287 -0.845 -5.111 1.00 0.00 O ATOM 0 H SER A 39 11.382 -0.638 -6.626 1.00 0.00 H new ATOM 0 HA SER A 39 13.982 0.747 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.490 -0.164 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.448 -1.768 -5.079 1.00 0.00 H new ATOM 0 HG SER A 39 15.544 -1.229 -4.247 1.00 0.00 H new ATOM 147 N ASP A 40 15.052 -1.175 -8.033 1.00 0.00 N ATOM 148 CA ASP A 40 15.605 -1.697 -9.290 1.00 0.00 C ATOM 149 C ASP A 40 14.992 -3.040 -9.694 1.00 0.00 C ATOM 150 O ASP A 40 14.447 -3.154 -10.786 1.00 0.00 O ATOM 151 CB ASP A 40 17.139 -1.794 -9.173 1.00 0.00 C ATOM 152 CG ASP A 40 17.823 -0.420 -9.015 1.00 0.00 C ATOM 153 OD1 ASP A 40 18.166 0.216 -10.042 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.020 0.026 -7.859 1.00 0.00 O ATOM 0 H ASP A 40 15.780 -0.892 -7.376 1.00 0.00 H new ATOM 0 HA ASP A 40 15.345 -0.999 -10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.393 -2.420 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.534 -2.290 -10.060 1.00 0.00 H new ATOM 159 N GLU A 41 14.979 -4.017 -8.781 1.00 0.00 N ATOM 160 CA GLU A 41 14.387 -5.359 -8.977 1.00 0.00 C ATOM 161 C GLU A 41 12.920 -5.315 -9.379 1.00 0.00 C ATOM 162 O GLU A 41 12.530 -5.893 -10.392 1.00 0.00 O ATOM 163 CB GLU A 41 14.490 -6.169 -7.678 1.00 0.00 C ATOM 164 CG GLU A 41 15.929 -6.509 -7.302 1.00 0.00 C ATOM 165 CD GLU A 41 16.324 -7.919 -7.730 1.00 0.00 C ATOM 166 OE1 GLU A 41 15.860 -8.386 -8.794 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.108 -8.558 -6.991 1.00 0.00 O ATOM 0 H GLU A 41 15.391 -3.899 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 41 14.950 -5.821 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.032 -5.604 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.920 -7.092 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.603 -5.789 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.053 -6.412 -6.223 1.00 0.00 H new ATOM 174 N GLN A 42 12.119 -4.593 -8.598 1.00 0.00 N ATOM 175 CA GLN A 42 10.676 -4.428 -8.822 1.00 0.00 C ATOM 176 C GLN A 42 10.384 -3.752 -10.171 1.00 0.00 C ATOM 177 O GLN A 42 9.485 -4.177 -10.898 1.00 0.00 O ATOM 178 CB GLN A 42 10.024 -3.628 -7.680 1.00 0.00 C ATOM 179 CG GLN A 42 9.957 -4.383 -6.342 1.00 0.00 C ATOM 180 CD GLN A 42 11.305 -4.684 -5.722 1.00 0.00 C ATOM 181 OE1 GLN A 42 12.222 -3.877 -5.758 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.476 -5.858 -5.155 1.00 0.00 N ATOM 0 H GLN A 42 12.457 -4.095 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 42 10.242 -5.427 -8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.581 -2.703 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.014 -3.348 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.370 -3.795 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.424 -5.321 -6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.707 -6.528 -5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.377 -6.099 -4.743 1.00 0.00 H new ATOM 191 N TYR A 43 11.177 -2.742 -10.541 1.00 0.00 N ATOM 192 CA TYR A 43 11.046 -2.054 -11.831 1.00 0.00 C ATOM 193 C TYR A 43 11.455 -2.943 -13.008 1.00 0.00 C ATOM 194 O TYR A 43 10.722 -3.099 -13.982 1.00 0.00 O ATOM 195 CB TYR A 43 11.933 -0.807 -11.830 1.00 0.00 C ATOM 196 CG TYR A 43 11.440 0.273 -12.773 1.00 0.00 C ATOM 197 CD1 TYR A 43 11.862 0.286 -14.117 1.00 0.00 C ATOM 198 CD2 TYR A 43 10.535 1.252 -12.318 1.00 0.00 C ATOM 199 CE1 TYR A 43 11.388 1.275 -14.998 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.080 2.250 -13.198 1.00 0.00 C ATOM 201 CZ TYR A 43 10.495 2.257 -14.538 1.00 0.00 C ATOM 202 OH TYR A 43 10.046 3.227 -15.382 1.00 0.00 O ATOM 0 H TYR A 43 11.928 -2.377 -9.955 1.00 0.00 H new ATOM 0 HA TYR A 43 9.996 -1.791 -11.955 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.982 -0.404 -10.819 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.948 -1.090 -12.110 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.552 -0.466 -14.472 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.191 1.236 -11.294 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.711 1.279 -16.029 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.407 3.015 -12.840 1.00 0.00 H new ATOM 0 HH TYR A 43 9.435 3.823 -14.900 1.00 0.00 H new ATOM 212 N GLN A 44 12.634 -3.550 -12.892 1.00 0.00 N ATOM 213 CA GLN A 44 13.249 -4.388 -13.932 1.00 0.00 C ATOM 214 C GLN A 44 12.409 -5.623 -14.251 1.00 0.00 C ATOM 215 O GLN A 44 12.285 -5.991 -15.414 1.00 0.00 O ATOM 216 CB GLN A 44 14.683 -4.835 -13.583 1.00 0.00 C ATOM 217 CG GLN A 44 15.780 -3.953 -14.195 1.00 0.00 C ATOM 218 CD GLN A 44 15.925 -2.594 -13.546 1.00 0.00 C ATOM 219 OE1 GLN A 44 16.800 -2.374 -12.720 1.00 0.00 O ATOM 220 NE2 GLN A 44 15.126 -1.627 -13.943 1.00 0.00 N ATOM 0 H GLN A 44 13.207 -3.474 -12.052 1.00 0.00 H new ATOM 0 HA GLN A 44 13.296 -3.746 -14.812 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.797 -4.839 -12.499 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.825 -5.861 -13.922 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.732 -4.479 -14.126 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.569 -3.815 -15.255 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.398 -1.817 -14.632 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.234 -0.687 -13.562 1.00 0.00 H new ATOM 229 N LYS A 45 11.781 -6.249 -13.258 1.00 0.00 N ATOM 230 CA LYS A 45 10.863 -7.348 -13.485 1.00 0.00 C ATOM 231 C LYS A 45 9.579 -6.895 -14.215 1.00 0.00 C ATOM 232 O LYS A 45 9.152 -7.573 -15.150 1.00 0.00 O ATOM 233 CB LYS A 45 10.613 -7.994 -12.126 1.00 0.00 C ATOM 234 CG LYS A 45 11.782 -8.915 -11.724 1.00 0.00 C ATOM 235 CD LYS A 45 11.662 -9.404 -10.271 1.00 0.00 C ATOM 236 CE LYS A 45 12.677 -10.501 -9.907 1.00 0.00 C ATOM 237 NZ LYS A 45 14.089 -10.100 -10.094 1.00 0.00 N ATOM 0 H LYS A 45 11.899 -6.004 -12.275 1.00 0.00 H new ATOM 0 HA LYS A 45 11.289 -8.088 -14.163 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.480 -7.219 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.688 -8.569 -12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.812 -9.775 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.723 -8.380 -11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.798 -8.557 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.654 -9.784 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.527 -10.790 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.477 -11.383 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.705 -10.927 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.219 -9.723 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.337 -9.367 -9.399 1.00 0.00 H new ATOM 251 N LEU A 46 9.020 -5.713 -13.903 1.00 0.00 N ATOM 252 CA LEU A 46 7.879 -5.165 -14.670 1.00 0.00 C ATOM 253 C LEU A 46 8.247 -4.682 -16.080 1.00 0.00 C ATOM 254 O LEU A 46 7.453 -4.807 -17.013 1.00 0.00 O ATOM 255 CB LEU A 46 7.108 -4.124 -13.838 1.00 0.00 C ATOM 256 CG LEU A 46 5.785 -4.750 -13.359 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.086 -3.929 -12.283 1.00 0.00 C ATOM 258 CD2 LEU A 46 4.767 -4.866 -14.496 1.00 0.00 C ATOM 0 H LEU A 46 9.333 -5.121 -13.134 1.00 0.00 H new ATOM 0 HA LEU A 46 7.197 -5.995 -14.857 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.706 -3.806 -12.984 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.910 -3.235 -14.437 1.00 0.00 H new ATOM 0 HG LEU A 46 6.082 -5.724 -12.970 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.161 -4.425 -11.990 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.739 -3.836 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.858 -2.937 -12.673 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.848 -5.312 -14.117 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.552 -3.874 -14.894 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.176 -5.494 -15.288 1.00 0.00 H new ATOM 270 N GLU A 47 9.486 -4.242 -16.273 1.00 0.00 N ATOM 271 CA GLU A 47 10.089 -4.010 -17.595 1.00 0.00 C ATOM 272 C GLU A 47 10.284 -5.300 -18.399 1.00 0.00 C ATOM 273 O GLU A 47 9.924 -5.351 -19.575 1.00 0.00 O ATOM 274 CB GLU A 47 11.400 -3.235 -17.426 1.00 0.00 C ATOM 275 CG GLU A 47 12.156 -3.051 -18.730 1.00 0.00 C ATOM 276 CD GLU A 47 13.458 -2.306 -18.474 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.460 -2.968 -18.125 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.476 -1.064 -18.631 1.00 0.00 O ATOM 0 H GLU A 47 10.119 -4.030 -15.502 1.00 0.00 H new ATOM 0 HA GLU A 47 9.393 -3.411 -18.183 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.184 -2.256 -16.997 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.037 -3.761 -16.715 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.365 -4.022 -19.179 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.543 -2.496 -19.440 1.00 0.00 H new ATOM 285 N LYS A 48 10.787 -6.366 -17.780 1.00 0.00 N ATOM 286 CA LYS A 48 10.945 -7.676 -18.421 1.00 0.00 C ATOM 287 C LYS A 48 9.594 -8.299 -18.826 1.00 0.00 C ATOM 288 O LYS A 48 9.488 -8.921 -19.884 1.00 0.00 O ATOM 289 CB LYS A 48 11.734 -8.630 -17.505 1.00 0.00 C ATOM 290 CG LYS A 48 13.248 -8.350 -17.467 1.00 0.00 C ATOM 291 CD LYS A 48 13.969 -8.800 -18.751 1.00 0.00 C ATOM 292 CE LYS A 48 15.497 -8.663 -18.654 1.00 0.00 C ATOM 293 NZ LYS A 48 15.952 -7.254 -18.657 1.00 0.00 N ATOM 0 H LYS A 48 11.100 -6.348 -16.810 1.00 0.00 H new ATOM 0 HA LYS A 48 11.509 -7.520 -19.341 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.336 -8.558 -16.493 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.572 -9.655 -17.839 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.412 -7.283 -17.318 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.687 -8.862 -16.611 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.714 -9.839 -18.960 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.608 -8.208 -19.592 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.843 -9.149 -17.742 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.957 -9.190 -19.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.989 -7.224 -18.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.649 -6.793 -19.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.538 -6.754 -17.845 1.00 0.00 H new ATOM 307 N MET A 49 8.539 -8.075 -18.037 1.00 0.00 N ATOM 308 CA MET A 49 7.166 -8.433 -18.365 1.00 0.00 C ATOM 309 C MET A 49 6.609 -7.592 -19.522 1.00 0.00 C ATOM 310 O MET A 49 5.921 -8.112 -20.398 1.00 0.00 O ATOM 311 CB MET A 49 6.337 -8.162 -17.116 1.00 0.00 C ATOM 312 CG MET A 49 6.525 -9.209 -16.017 1.00 0.00 C ATOM 313 SD MET A 49 6.018 -8.612 -14.385 1.00 0.00 S ATOM 314 CE MET A 49 4.266 -8.290 -14.672 1.00 0.00 C ATOM 0 H MET A 49 8.625 -7.625 -17.126 1.00 0.00 H new ATOM 0 HA MET A 49 7.128 -9.476 -18.678 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.601 -7.181 -16.721 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.283 -8.122 -17.391 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.949 -10.100 -16.268 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.573 -9.507 -15.981 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.818 -7.882 -13.766 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.156 -7.573 -15.486 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.764 -9.220 -14.938 1.00 0.00 H new ATOM 324 N ALA A 50 6.943 -6.301 -19.571 1.00 0.00 N ATOM 325 CA ALA A 50 6.471 -5.365 -20.587 1.00 0.00 C ATOM 326 C ALA A 50 6.900 -5.705 -22.017 1.00 0.00 C ATOM 327 O ALA A 50 6.209 -5.308 -22.950 1.00 0.00 O ATOM 328 CB ALA A 50 6.868 -3.942 -20.197 1.00 0.00 C ATOM 0 H ALA A 50 7.565 -5.869 -18.887 1.00 0.00 H new ATOM 0 HA ALA A 50 5.385 -5.451 -20.609 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.515 -3.245 -20.957 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.420 -3.690 -19.236 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.953 -3.875 -20.120 1.00 0.00 H new ATOM 334 N ASN A 51 7.948 -6.504 -22.225 1.00 0.00 N ATOM 335 CA ASN A 51 8.252 -7.082 -23.538 1.00 0.00 C ATOM 336 C ASN A 51 7.101 -7.949 -24.121 1.00 0.00 C ATOM 337 O ASN A 51 6.980 -8.073 -25.341 1.00 0.00 O ATOM 338 CB ASN A 51 9.584 -7.835 -23.436 1.00 0.00 C ATOM 339 CG ASN A 51 10.017 -8.450 -24.759 1.00 0.00 C ATOM 340 OD1 ASN A 51 10.076 -9.665 -24.907 1.00 0.00 O ATOM 341 ND2 ASN A 51 10.336 -7.644 -25.750 1.00 0.00 N ATOM 0 H ASN A 51 8.608 -6.768 -21.493 1.00 0.00 H new ATOM 0 HA ASN A 51 8.350 -6.274 -24.263 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.358 -7.150 -23.089 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.495 -8.622 -22.687 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.634 -8.030 -26.646 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.285 -6.633 -25.622 1.00 0.00 H new ATOM 348 N GLU A 52 6.198 -8.476 -23.278 1.00 0.00 N ATOM 349 CA GLU A 52 4.940 -9.147 -23.679 1.00 0.00 C ATOM 350 C GLU A 52 3.935 -8.188 -24.332 1.00 0.00 C ATOM 351 O GLU A 52 3.236 -8.560 -25.273 1.00 0.00 O ATOM 352 CB GLU A 52 4.306 -9.838 -22.460 1.00 0.00 C ATOM 353 CG GLU A 52 3.270 -10.921 -22.775 1.00 0.00 C ATOM 354 CD GLU A 52 1.868 -10.385 -23.059 1.00 0.00 C ATOM 355 OE1 GLU A 52 1.368 -9.550 -22.273 1.00 0.00 O ATOM 356 OE2 GLU A 52 1.241 -10.868 -24.029 1.00 0.00 O ATOM 0 H GLU A 52 6.323 -8.449 -22.266 1.00 0.00 H new ATOM 0 HA GLU A 52 5.197 -9.890 -24.433 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.102 -10.285 -21.864 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.832 -9.077 -21.840 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.610 -11.492 -23.639 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.218 -11.614 -21.935 1.00 0.00 H new ATOM 363 N GLU A 53 3.937 -6.925 -23.890 1.00 0.00 N ATOM 364 CA GLU A 53 3.202 -5.772 -24.447 1.00 0.00 C ATOM 365 C GLU A 53 4.043 -4.934 -25.429 1.00 0.00 C ATOM 366 O GLU A 53 3.583 -3.909 -25.933 1.00 0.00 O ATOM 367 CB GLU A 53 2.693 -4.901 -23.284 1.00 0.00 C ATOM 368 CG GLU A 53 1.281 -5.308 -22.862 1.00 0.00 C ATOM 369 CD GLU A 53 0.719 -4.349 -21.821 1.00 0.00 C ATOM 370 OE1 GLU A 53 0.429 -3.183 -22.170 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.515 -4.786 -20.669 1.00 0.00 O ATOM 0 H GLU A 53 4.490 -6.658 -23.076 1.00 0.00 H new ATOM 0 HA GLU A 53 2.365 -6.158 -25.029 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.370 -4.993 -22.434 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.698 -3.853 -23.583 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.628 -5.324 -23.735 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.297 -6.320 -22.457 1.00 0.00 H new ATOM 378 N GLU A 54 5.262 -5.394 -25.736 1.00 0.00 N ATOM 379 CA GLU A 54 6.251 -4.768 -26.642 1.00 0.00 C ATOM 380 C GLU A 54 6.783 -3.423 -26.118 1.00 0.00 C ATOM 381 O GLU A 54 6.836 -2.412 -26.819 1.00 0.00 O ATOM 382 CB GLU A 54 5.728 -4.722 -28.092 1.00 0.00 C ATOM 383 CG GLU A 54 6.870 -4.730 -29.105 1.00 0.00 C ATOM 384 CD GLU A 54 6.313 -4.607 -30.516 1.00 0.00 C ATOM 385 OE1 GLU A 54 5.993 -5.654 -31.124 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.211 -3.468 -31.024 1.00 0.00 O ATOM 0 H GLU A 54 5.612 -6.266 -25.338 1.00 0.00 H new ATOM 0 HA GLU A 54 7.132 -5.409 -26.659 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.077 -5.577 -28.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.123 -3.826 -28.232 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.554 -3.906 -28.902 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.445 -5.651 -29.011 1.00 0.00 H new ATOM 393 N GLU A 55 7.152 -3.444 -24.832 1.00 0.00 N ATOM 394 CA GLU A 55 7.610 -2.342 -23.963 1.00 0.00 C ATOM 395 C GLU A 55 6.592 -1.209 -23.788 1.00 0.00 C ATOM 396 O GLU A 55 6.476 -0.286 -24.593 1.00 0.00 O ATOM 397 CB GLU A 55 8.989 -1.791 -24.338 1.00 0.00 C ATOM 398 CG GLU A 55 10.124 -2.821 -24.344 1.00 0.00 C ATOM 399 CD GLU A 55 10.216 -3.591 -25.657 1.00 0.00 C ATOM 400 OE1 GLU A 55 10.589 -2.978 -26.684 1.00 0.00 O ATOM 401 OE2 GLU A 55 9.980 -4.819 -25.643 1.00 0.00 O ATOM 0 H GLU A 55 7.137 -4.324 -24.316 1.00 0.00 H new ATOM 0 HA GLU A 55 7.710 -2.819 -22.988 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.925 -1.339 -25.328 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.246 -0.995 -23.640 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.070 -2.313 -24.159 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.974 -3.525 -23.525 1.00 0.00 H new ATOM 408 N SER A 56 5.882 -1.290 -22.664 1.00 0.00 N ATOM 409 CA SER A 56 4.859 -0.350 -22.179 1.00 0.00 C ATOM 410 C SER A 56 5.025 -0.144 -20.659 1.00 0.00 C ATOM 411 O SER A 56 4.061 -0.125 -19.886 1.00 0.00 O ATOM 412 CB SER A 56 3.452 -0.862 -22.541 1.00 0.00 C ATOM 413 OG SER A 56 3.251 -0.902 -23.945 1.00 0.00 O ATOM 0 H SER A 56 6.012 -2.069 -22.018 1.00 0.00 H new ATOM 0 HA SER A 56 4.987 0.617 -22.665 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.310 -1.859 -22.125 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.702 -0.216 -22.085 1.00 0.00 H new ATOM 0 HG SER A 56 2.349 -1.233 -24.137 1.00 0.00 H new ATOM 419 N VAL A 57 6.287 -0.087 -20.208 1.00 0.00 N ATOM 420 CA VAL A 57 6.680 0.023 -18.791 1.00 0.00 C ATOM 421 C VAL A 57 6.047 1.284 -18.172 1.00 0.00 C ATOM 422 O VAL A 57 6.329 2.407 -18.592 1.00 0.00 O ATOM 423 CB VAL A 57 8.213 0.094 -18.589 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.567 -0.322 -17.154 1.00 0.00 C ATOM 425 CG2 VAL A 57 9.001 -0.805 -19.547 1.00 0.00 C ATOM 0 H VAL A 57 7.089 -0.117 -20.837 1.00 0.00 H new ATOM 0 HA VAL A 57 6.321 -0.882 -18.300 1.00 0.00 H new ATOM 0 HB VAL A 57 8.494 1.127 -18.793 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.647 -0.271 -17.016 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.079 0.351 -16.449 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.227 -1.342 -16.977 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.068 -0.703 -19.347 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.702 -1.843 -19.401 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.795 -0.509 -20.576 1.00 0.00 H new ATOM 435 N GLY A 58 5.135 1.090 -17.224 1.00 0.00 N ATOM 436 CA GLY A 58 4.278 2.133 -16.632 1.00 0.00 C ATOM 437 C GLY A 58 2.802 1.773 -16.771 1.00 0.00 C ATOM 438 O GLY A 58 2.112 1.529 -15.782 1.00 0.00 O ATOM 0 H GLY A 58 4.959 0.168 -16.826 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.527 2.259 -15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.471 3.088 -17.121 1.00 0.00 H new ATOM 442 N SER A 59 2.353 1.578 -18.009 1.00 0.00 N ATOM 443 CA SER A 59 1.029 1.030 -18.302 1.00 0.00 C ATOM 444 C SER A 59 0.884 -0.420 -17.821 1.00 0.00 C ATOM 445 O SER A 59 -0.149 -0.773 -17.253 1.00 0.00 O ATOM 446 CB SER A 59 0.778 1.092 -19.807 1.00 0.00 C ATOM 447 OG SER A 59 0.671 2.430 -20.271 1.00 0.00 O ATOM 0 H SER A 59 2.900 1.797 -18.842 1.00 0.00 H new ATOM 0 HA SER A 59 0.295 1.632 -17.766 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.591 0.590 -20.332 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.138 0.551 -20.045 1.00 0.00 H new ATOM 0 HG SER A 59 0.512 2.429 -21.238 1.00 0.00 H new ATOM 453 N TYR A 60 1.932 -1.247 -17.945 1.00 0.00 N ATOM 454 CA TYR A 60 1.926 -2.596 -17.357 1.00 0.00 C ATOM 455 C TYR A 60 1.832 -2.541 -15.824 1.00 0.00 C ATOM 456 O TYR A 60 1.049 -3.264 -15.218 1.00 0.00 O ATOM 457 CB TYR A 60 3.167 -3.390 -17.791 1.00 0.00 C ATOM 458 CG TYR A 60 2.928 -4.889 -17.943 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.471 -5.680 -16.868 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.152 -5.501 -19.189 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.231 -7.055 -17.041 1.00 0.00 C ATOM 462 CE2 TYR A 60 2.960 -6.885 -19.352 1.00 0.00 C ATOM 463 CZ TYR A 60 2.494 -7.663 -18.279 1.00 0.00 C ATOM 464 OH TYR A 60 2.280 -8.998 -18.438 1.00 0.00 O ATOM 0 H TYR A 60 2.789 -1.009 -18.443 1.00 0.00 H new ATOM 0 HA TYR A 60 1.040 -3.110 -17.729 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.525 -2.992 -18.741 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.960 -3.232 -17.060 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.304 -5.225 -15.903 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.474 -4.903 -20.029 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.844 -7.643 -16.222 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.171 -7.350 -20.304 1.00 0.00 H new ATOM 0 HH TYR A 60 2.510 -9.259 -19.354 1.00 0.00 H new ATOM 474 N ILE A 61 2.578 -1.623 -15.198 1.00 0.00 N ATOM 475 CA ILE A 61 2.574 -1.417 -13.734 1.00 0.00 C ATOM 476 C ILE A 61 1.158 -1.104 -13.240 1.00 0.00 C ATOM 477 O ILE A 61 0.660 -1.739 -12.308 1.00 0.00 O ATOM 478 CB ILE A 61 3.542 -0.289 -13.282 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.941 -0.338 -13.942 1.00 0.00 C ATOM 480 CG2 ILE A 61 3.650 -0.303 -11.745 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.814 0.861 -13.559 1.00 0.00 C ATOM 0 H ILE A 61 3.209 -0.993 -15.693 1.00 0.00 H new ATOM 0 HA ILE A 61 2.926 -2.348 -13.290 1.00 0.00 H new ATOM 0 HB ILE A 61 3.111 0.652 -13.626 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.445 -1.259 -13.649 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.827 -0.369 -15.026 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.328 0.486 -11.421 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.665 -0.137 -11.309 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.034 -1.269 -11.416 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.784 0.776 -14.049 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.326 1.783 -13.877 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.954 0.879 -12.478 1.00 0.00 H new ATOM 493 N LYS A 62 0.481 -0.179 -13.925 1.00 0.00 N ATOM 494 CA LYS A 62 -0.923 0.123 -13.675 1.00 0.00 C ATOM 495 C LYS A 62 -1.803 -1.123 -13.895 1.00 0.00 C ATOM 496 O LYS A 62 -2.525 -1.542 -12.995 1.00 0.00 O ATOM 497 CB LYS A 62 -1.328 1.304 -14.575 1.00 0.00 C ATOM 498 CG LYS A 62 -2.727 1.868 -14.285 1.00 0.00 C ATOM 499 CD LYS A 62 -2.943 3.133 -15.135 1.00 0.00 C ATOM 500 CE LYS A 62 -4.325 3.780 -14.957 1.00 0.00 C ATOM 501 NZ LYS A 62 -5.401 3.057 -15.673 1.00 0.00 N ATOM 0 H LYS A 62 0.896 0.381 -14.670 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.072 0.410 -12.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.596 2.103 -14.458 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.287 0.983 -15.616 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.489 1.124 -14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.825 2.105 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.176 3.864 -14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.805 2.879 -16.186 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.567 3.820 -13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.287 4.809 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.308 3.540 -15.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.190 3.040 -16.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.461 2.082 -15.316 1.00 0.00 H new ATOM 515 N ARG A 63 -1.691 -1.780 -15.053 1.00 0.00 N ATOM 516 CA ARG A 63 -2.464 -2.976 -15.417 1.00 0.00 C ATOM 517 C ARG A 63 -2.276 -4.172 -14.459 1.00 0.00 C ATOM 518 O ARG A 63 -3.204 -4.951 -14.280 1.00 0.00 O ATOM 519 CB ARG A 63 -2.178 -3.368 -16.877 1.00 0.00 C ATOM 520 CG ARG A 63 -3.238 -4.345 -17.419 1.00 0.00 C ATOM 521 CD ARG A 63 -3.080 -4.628 -18.919 1.00 0.00 C ATOM 522 NE ARG A 63 -1.847 -5.370 -19.229 1.00 0.00 N ATOM 523 CZ ARG A 63 -1.625 -6.665 -19.121 1.00 0.00 C ATOM 524 NH1 ARG A 63 -2.502 -7.507 -18.643 1.00 0.00 N ATOM 525 NH2 ARG A 63 -0.479 -7.130 -19.517 1.00 0.00 N ATOM 0 H ARG A 63 -1.043 -1.488 -15.785 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.515 -2.704 -15.315 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.157 -2.472 -17.498 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.191 -3.826 -16.945 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.174 -5.284 -16.869 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.231 -3.934 -17.235 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.940 -5.198 -19.270 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.079 -3.684 -19.465 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.065 -4.811 -19.571 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.413 -7.172 -18.330 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.276 -8.500 -18.583 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.223 -6.497 -19.900 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.281 -8.128 -19.445 1.00 0.00 H new ATOM 539 N TYR A 64 -1.140 -4.305 -13.777 1.00 0.00 N ATOM 540 CA TYR A 64 -0.861 -5.390 -12.817 1.00 0.00 C ATOM 541 C TYR A 64 -1.756 -5.335 -11.566 1.00 0.00 C ATOM 542 O TYR A 64 -2.191 -6.350 -11.022 1.00 0.00 O ATOM 543 CB TYR A 64 0.619 -5.314 -12.411 1.00 0.00 C ATOM 544 CG TYR A 64 1.284 -6.626 -12.036 1.00 0.00 C ATOM 545 CD1 TYR A 64 1.104 -7.789 -12.815 1.00 0.00 C ATOM 546 CD2 TYR A 64 2.117 -6.673 -10.902 1.00 0.00 C ATOM 547 CE1 TYR A 64 1.703 -9.001 -12.420 1.00 0.00 C ATOM 548 CE2 TYR A 64 2.753 -7.871 -10.539 1.00 0.00 C ATOM 549 CZ TYR A 64 2.522 -9.039 -11.279 1.00 0.00 C ATOM 550 OH TYR A 64 3.071 -10.212 -10.870 1.00 0.00 O ATOM 0 H TYR A 64 -0.365 -3.649 -13.874 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.083 -6.337 -13.309 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.177 -4.872 -13.236 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.707 -4.632 -11.565 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.507 -7.750 -13.714 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.268 -5.783 -10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.533 -9.900 -12.994 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.420 -7.893 -9.690 1.00 0.00 H new ATOM 0 HH TYR A 64 3.772 -10.032 -10.210 1.00 0.00 H new ATOM 560 N ILE A 65 -2.099 -4.113 -11.171 1.00 0.00 N ATOM 561 CA ILE A 65 -3.140 -3.805 -10.179 1.00 0.00 C ATOM 562 C ILE A 65 -4.527 -4.169 -10.716 1.00 0.00 C ATOM 563 O ILE A 65 -5.316 -4.779 -10.002 1.00 0.00 O ATOM 564 CB ILE A 65 -3.051 -2.320 -9.739 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.886 -2.077 -8.767 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.345 -1.764 -9.129 1.00 0.00 C ATOM 567 CD1 ILE A 65 -2.057 -2.710 -7.380 1.00 0.00 C ATOM 0 H ILE A 65 -1.648 -3.277 -11.542 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.972 -4.415 -9.292 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.874 -1.777 -10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.971 -2.464 -9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.752 -1.002 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.196 -0.721 -8.849 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.151 -1.832 -9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.608 -2.343 -8.244 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.185 -2.483 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.950 -2.306 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.157 -3.790 -7.483 1.00 0.00 H new ATOM 579 N LEU A 66 -4.817 -3.878 -11.986 1.00 0.00 N ATOM 580 CA LEU A 66 -6.124 -4.168 -12.591 1.00 0.00 C ATOM 581 C LEU A 66 -6.328 -5.688 -12.776 1.00 0.00 C ATOM 582 O LEU A 66 -7.416 -6.221 -12.557 1.00 0.00 O ATOM 583 CB LEU A 66 -6.263 -3.399 -13.917 1.00 0.00 C ATOM 584 CG LEU A 66 -5.806 -1.930 -13.867 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.057 -1.211 -15.182 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.424 -1.096 -12.754 1.00 0.00 C ATOM 0 H LEU A 66 -4.156 -3.436 -12.625 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.912 -3.829 -11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.686 -3.918 -14.683 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.307 -3.429 -14.229 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.739 -2.012 -13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.720 -0.178 -15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.509 -1.711 -15.980 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.123 -1.228 -15.408 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.038 -0.078 -12.805 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.508 -1.079 -12.871 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.170 -1.533 -11.788 1.00 0.00 H new ATOM 598 N LYS A 67 -5.235 -6.392 -13.076 1.00 0.00 N ATOM 599 CA LYS A 67 -5.124 -7.848 -13.138 1.00 0.00 C ATOM 600 C LYS A 67 -5.405 -8.520 -11.781 1.00 0.00 C ATOM 601 O LYS A 67 -5.986 -9.605 -11.732 1.00 0.00 O ATOM 602 CB LYS A 67 -3.717 -8.184 -13.659 1.00 0.00 C ATOM 603 CG LYS A 67 -3.484 -9.691 -13.843 1.00 0.00 C ATOM 604 CD LYS A 67 -2.121 -9.955 -14.507 1.00 0.00 C ATOM 605 CE LYS A 67 -1.767 -11.449 -14.592 1.00 0.00 C ATOM 606 NZ LYS A 67 -2.609 -12.192 -15.557 1.00 0.00 N ATOM 0 H LYS A 67 -4.351 -5.932 -13.295 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.883 -8.242 -13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.559 -7.679 -14.612 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.976 -7.790 -12.964 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.525 -10.191 -12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.280 -10.115 -14.455 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.126 -9.532 -15.511 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.344 -9.436 -13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.720 -11.552 -14.878 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.874 -11.898 -13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.323 -13.192 -15.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.607 -12.121 -15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.489 -11.786 -16.507 1.00 0.00 H new ATOM 620 N ALA A 68 -5.031 -7.868 -10.679 1.00 0.00 N ATOM 621 CA ALA A 68 -5.392 -8.297 -9.322 1.00 0.00 C ATOM 622 C ALA A 68 -6.820 -7.892 -8.881 1.00 0.00 C ATOM 623 O ALA A 68 -7.485 -8.624 -8.144 1.00 0.00 O ATOM 624 CB ALA A 68 -4.368 -7.713 -8.349 1.00 0.00 C ATOM 0 H ALA A 68 -4.464 -7.020 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.385 -9.387 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.616 -8.019 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.373 -8.078 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.383 -6.625 -8.414 1.00 0.00 H new ATOM 630 N LEU A 69 -7.321 -6.738 -9.339 1.00 0.00 N ATOM 631 CA LEU A 69 -8.543 -6.098 -8.836 1.00 0.00 C ATOM 632 C LEU A 69 -9.826 -6.887 -9.150 1.00 0.00 C ATOM 633 O LEU A 69 -10.837 -6.756 -8.460 1.00 0.00 O ATOM 634 CB LEU A 69 -8.605 -4.645 -9.349 1.00 0.00 C ATOM 635 CG LEU A 69 -8.572 -3.626 -8.198 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.126 -2.246 -8.672 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.951 -3.466 -7.570 1.00 0.00 C ATOM 0 H LEU A 69 -6.876 -6.210 -10.089 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.491 -6.090 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.766 -4.461 -10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.516 -4.505 -9.931 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.859 -4.016 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.117 -1.557 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.124 -2.313 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.818 -1.881 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.899 -2.740 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.656 -3.118 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.285 -4.426 -7.177 1.00 0.00 H new ATOM 649 N ARG A 70 -9.754 -7.793 -10.122 1.00 0.00 N ATOM 650 CA ARG A 70 -10.797 -8.782 -10.423 1.00 0.00 C ATOM 651 C ARG A 70 -11.217 -9.676 -9.227 1.00 0.00 C ATOM 652 O ARG A 70 -12.327 -10.208 -9.213 1.00 0.00 O ATOM 653 CB ARG A 70 -10.462 -9.574 -11.690 1.00 0.00 C ATOM 654 CG ARG A 70 -9.284 -10.489 -11.413 1.00 0.00 C ATOM 655 CD ARG A 70 -8.816 -11.247 -12.657 1.00 0.00 C ATOM 656 NE ARG A 70 -7.532 -11.914 -12.385 1.00 0.00 N ATOM 657 CZ ARG A 70 -7.212 -13.184 -12.554 1.00 0.00 C ATOM 658 NH1 ARG A 70 -8.046 -14.065 -13.035 1.00 0.00 N ATOM 659 NH2 ARG A 70 -6.018 -13.599 -12.231 1.00 0.00 N ATOM 0 H ARG A 70 -8.947 -7.865 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.700 -8.206 -10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.326 -10.159 -12.006 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.224 -8.892 -12.506 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.456 -9.899 -11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.560 -11.205 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.564 -11.985 -12.947 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.707 -10.557 -13.494 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.792 -11.316 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.990 -13.783 -13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.754 -15.036 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.336 -12.943 -11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.767 -14.579 -12.360 1.00 0.00 H new ATOM 673 N LYS A 71 -10.356 -9.810 -8.207 1.00 0.00 N ATOM 674 CA LYS A 71 -10.651 -10.514 -6.940 1.00 0.00 C ATOM 675 C LYS A 71 -11.069 -9.579 -5.774 1.00 0.00 C ATOM 676 O LYS A 71 -11.392 -10.045 -4.678 1.00 0.00 O ATOM 677 CB LYS A 71 -9.457 -11.386 -6.542 1.00 0.00 C ATOM 678 CG LYS A 71 -9.196 -12.537 -7.529 1.00 0.00 C ATOM 679 CD LYS A 71 -8.117 -13.488 -6.987 1.00 0.00 C ATOM 680 CE LYS A 71 -7.928 -14.680 -7.934 1.00 0.00 C ATOM 681 NZ LYS A 71 -6.955 -15.658 -7.402 1.00 0.00 N ATOM 0 H LYS A 71 -9.412 -9.425 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.523 -11.139 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.565 -10.763 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.631 -11.799 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.120 -13.089 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.881 -12.133 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.175 -12.952 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.401 -13.844 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.887 -15.172 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.588 -14.321 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.856 -16.448 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.033 -15.195 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.291 -16.020 -6.487 1.00 0.00 H new ATOM 695 N ILE A 72 -11.069 -8.262 -6.005 1.00 0.00 N ATOM 696 CA ILE A 72 -11.234 -7.189 -5.008 1.00 0.00 C ATOM 697 C ILE A 72 -12.511 -6.344 -5.237 1.00 0.00 C ATOM 698 O ILE A 72 -13.039 -5.758 -4.288 1.00 0.00 O ATOM 699 CB ILE A 72 -9.941 -6.346 -5.063 1.00 0.00 C ATOM 700 CG1 ILE A 72 -8.712 -7.152 -4.591 1.00 0.00 C ATOM 701 CG2 ILE A 72 -10.003 -4.987 -4.349 1.00 0.00 C ATOM 702 CD1 ILE A 72 -8.749 -7.585 -3.118 1.00 0.00 C ATOM 0 H ILE A 72 -10.947 -7.890 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.378 -7.610 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.834 -6.105 -6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.618 -8.042 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.817 -6.552 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.044 -4.479 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.786 -4.376 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.223 -5.141 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.844 -8.145 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.808 -6.703 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.621 -8.216 -2.946 1.00 0.00 H new ATOM 714 N GLU A 73 -13.028 -6.328 -6.477 1.00 0.00 N ATOM 715 CA GLU A 73 -14.332 -5.771 -6.897 1.00 0.00 C ATOM 716 C GLU A 73 -15.495 -6.221 -5.999 1.00 0.00 C ATOM 717 O GLU A 73 -15.673 -7.445 -5.808 1.00 0.00 O ATOM 718 CB GLU A 73 -14.590 -6.145 -8.366 1.00 0.00 C ATOM 719 CG GLU A 73 -15.829 -5.468 -8.953 1.00 0.00 C ATOM 720 CD GLU A 73 -16.024 -5.891 -10.401 1.00 0.00 C ATOM 721 OE1 GLU A 73 -15.486 -5.209 -11.301 1.00 0.00 O ATOM 722 OE2 GLU A 73 -16.728 -6.899 -10.638 1.00 0.00 O ATOM 0 H GLU A 73 -12.517 -6.728 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.281 -4.687 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.719 -5.872 -8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.704 -7.226 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.709 -5.734 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.722 -4.385 -8.894 1.00 0.00 H new ATOM 730 N THR B 31 16.899 5.558 -5.539 1.00 0.00 N ATOM 731 CA THR B 31 15.477 5.155 -5.550 1.00 0.00 C ATOM 732 C THR B 31 14.927 5.252 -6.983 1.00 0.00 C ATOM 733 O THR B 31 15.403 6.066 -7.780 1.00 0.00 O ATOM 734 CB THR B 31 14.618 6.087 -4.656 1.00 0.00 C ATOM 735 OG1 THR B 31 15.295 6.528 -3.491 1.00 0.00 O ATOM 736 CG2 THR B 31 13.316 5.448 -4.178 1.00 0.00 C ATOM 0 HA THR B 31 15.422 4.135 -5.171 1.00 0.00 H new ATOM 0 HB THR B 31 14.406 6.927 -5.318 1.00 0.00 H new ATOM 0 HG1 THR B 31 16.263 6.484 -3.639 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.768 6.158 -3.558 1.00 0.00 H new ATOM 0 HG22 THR B 31 12.708 5.174 -5.040 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.542 4.556 -3.594 1.00 0.00 H new ATOM 744 N ARG B 32 13.919 4.451 -7.324 1.00 0.00 N ATOM 745 CA ARG B 32 13.194 4.512 -8.595 1.00 0.00 C ATOM 746 C ARG B 32 11.895 5.335 -8.461 1.00 0.00 C ATOM 747 O ARG B 32 11.480 5.682 -7.354 1.00 0.00 O ATOM 748 CB ARG B 32 12.921 3.067 -9.054 1.00 0.00 C ATOM 749 CG ARG B 32 12.947 2.842 -10.568 1.00 0.00 C ATOM 750 CD ARG B 32 14.307 3.146 -11.211 1.00 0.00 C ATOM 751 NE ARG B 32 14.380 4.499 -11.796 1.00 0.00 N ATOM 752 CZ ARG B 32 13.862 4.906 -12.945 1.00 0.00 C ATOM 753 NH1 ARG B 32 13.137 4.129 -13.701 1.00 0.00 N ATOM 754 NH2 ARG B 32 14.058 6.128 -13.355 1.00 0.00 N ATOM 0 H ARG B 32 13.572 3.718 -6.705 1.00 0.00 H new ATOM 0 HA ARG B 32 13.794 5.024 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG B 32 13.661 2.412 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.946 2.762 -8.675 1.00 0.00 H new ATOM 0 HG2 ARG B 32 12.679 1.807 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG B 32 12.186 3.469 -11.033 1.00 0.00 H new ATOM 0 HD2 ARG B 32 15.090 3.038 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.508 2.409 -11.988 1.00 0.00 H new ATOM 0 HE ARG B 32 14.886 5.200 -11.254 1.00 0.00 H new ATOM 0 HH11 ARG B 32 12.950 3.168 -13.414 1.00 0.00 H new ATOM 0 HH12 ARG B 32 12.757 4.482 -14.579 1.00 0.00 H new ATOM 0 HH21 ARG B 32 14.611 6.773 -12.791 1.00 0.00 H new ATOM 0 HH22 ARG B 32 13.658 6.439 -14.240 1.00 0.00 H new ATOM 768 N ALA B 33 11.232 5.620 -9.580 1.00 0.00 N ATOM 769 CA ALA B 33 10.037 6.464 -9.645 1.00 0.00 C ATOM 770 C ALA B 33 8.958 5.857 -10.559 1.00 0.00 C ATOM 771 O ALA B 33 9.235 5.446 -11.687 1.00 0.00 O ATOM 772 CB ALA B 33 10.456 7.857 -10.130 1.00 0.00 C ATOM 0 H ALA B 33 11.517 5.262 -10.491 1.00 0.00 H new ATOM 0 HA ALA B 33 9.592 6.535 -8.652 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.579 8.502 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA B 33 11.177 8.284 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.911 7.777 -11.117 1.00 0.00 H new ATOM 778 N VAL B 34 7.726 5.818 -10.054 1.00 0.00 N ATOM 779 CA VAL B 34 6.527 5.263 -10.707 1.00 0.00 C ATOM 780 C VAL B 34 5.354 6.209 -10.497 1.00 0.00 C ATOM 781 O VAL B 34 4.691 6.166 -9.467 1.00 0.00 O ATOM 782 CB VAL B 34 6.196 3.844 -10.194 1.00 0.00 C ATOM 783 CG1 VAL B 34 4.858 3.296 -10.705 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.275 2.853 -10.652 1.00 0.00 C ATOM 0 H VAL B 34 7.519 6.192 -9.128 1.00 0.00 H new ATOM 0 HA VAL B 34 6.728 5.170 -11.774 1.00 0.00 H new ATOM 0 HB VAL B 34 6.146 3.939 -9.109 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.696 2.296 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.049 3.952 -10.383 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.876 3.249 -11.794 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.032 1.856 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.317 2.839 -11.741 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.243 3.160 -10.255 1.00 0.00 H new ATOM 794 N SER B 35 5.119 7.082 -11.472 1.00 0.00 N ATOM 795 CA SER B 35 3.978 8.005 -11.496 1.00 0.00 C ATOM 796 C SER B 35 2.929 7.565 -12.525 1.00 0.00 C ATOM 797 O SER B 35 3.253 7.314 -13.690 1.00 0.00 O ATOM 798 CB SER B 35 4.450 9.433 -11.766 1.00 0.00 C ATOM 799 OG SER B 35 3.378 10.345 -11.606 1.00 0.00 O ATOM 0 H SER B 35 5.726 7.173 -12.286 1.00 0.00 H new ATOM 0 HA SER B 35 3.503 7.983 -10.515 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.260 9.690 -11.084 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.850 9.506 -12.777 1.00 0.00 H new ATOM 0 HG SER B 35 3.695 11.256 -11.780 1.00 0.00 H new ATOM 805 N LEU B 36 1.679 7.442 -12.078 1.00 0.00 N ATOM 806 CA LEU B 36 0.560 6.836 -12.807 1.00 0.00 C ATOM 807 C LEU B 36 -0.698 7.721 -12.722 1.00 0.00 C ATOM 808 O LEU B 36 -0.787 8.621 -11.884 1.00 0.00 O ATOM 809 CB LEU B 36 0.278 5.430 -12.228 1.00 0.00 C ATOM 810 CG LEU B 36 1.448 4.426 -12.279 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.039 3.121 -11.594 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.874 4.086 -13.706 1.00 0.00 C ATOM 0 H LEU B 36 1.404 7.777 -11.155 1.00 0.00 H new ATOM 0 HA LEU B 36 0.828 6.747 -13.860 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.032 5.543 -11.189 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.566 5.000 -12.767 1.00 0.00 H new ATOM 0 HG LEU B 36 2.286 4.903 -11.770 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.868 2.415 -11.632 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.781 3.321 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.176 2.696 -12.107 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.700 3.376 -13.680 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.033 3.645 -14.241 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.193 4.995 -14.217 1.00 0.00 H new ATOM 824 N TYR B 37 -1.684 7.435 -13.574 1.00 0.00 N ATOM 825 CA TYR B 37 -2.912 8.223 -13.747 1.00 0.00 C ATOM 826 C TYR B 37 -4.160 7.327 -13.720 1.00 0.00 C ATOM 827 O TYR B 37 -4.748 6.993 -14.751 1.00 0.00 O ATOM 828 CB TYR B 37 -2.813 9.074 -15.023 1.00 0.00 C ATOM 829 CG TYR B 37 -1.807 10.204 -14.919 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.187 11.423 -14.324 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.492 10.040 -15.396 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.264 12.477 -14.219 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.435 11.094 -15.278 1.00 0.00 C ATOM 834 CZ TYR B 37 0.049 12.312 -14.694 1.00 0.00 C ATOM 835 OH TYR B 37 0.951 13.329 -14.593 1.00 0.00 O ATOM 0 H TYR B 37 -1.651 6.620 -14.186 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.019 8.908 -12.906 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.540 8.430 -15.859 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.794 9.491 -15.249 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.191 11.548 -13.947 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.195 9.107 -15.852 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.563 13.414 -13.773 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.445 10.965 -15.637 1.00 0.00 H new ATOM 0 HH TYR B 37 1.810 13.043 -14.970 1.00 0.00 H new ATOM 845 N PHE B 38 -4.530 6.882 -12.519 1.00 0.00 N ATOM 846 CA PHE B 38 -5.801 6.236 -12.227 1.00 0.00 C ATOM 847 C PHE B 38 -7.012 7.157 -12.496 1.00 0.00 C ATOM 848 O PHE B 38 -6.873 8.352 -12.772 1.00 0.00 O ATOM 849 CB PHE B 38 -5.755 5.824 -10.748 1.00 0.00 C ATOM 850 CG PHE B 38 -5.023 4.528 -10.448 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.497 3.312 -10.981 1.00 0.00 C ATOM 852 CD2 PHE B 38 -3.930 4.515 -9.565 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.912 2.091 -10.601 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.328 3.294 -9.214 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.816 2.084 -9.726 1.00 0.00 C ATOM 0 H PHE B 38 -3.930 6.966 -11.698 1.00 0.00 H new ATOM 0 HA PHE B 38 -5.934 5.376 -12.883 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.283 6.626 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.778 5.735 -10.383 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.315 3.318 -11.686 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.553 5.441 -9.157 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.306 1.160 -10.982 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.481 3.288 -8.543 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.350 1.150 -9.448 1.00 0.00 H new ATOM 865 N SER B 39 -8.214 6.615 -12.321 1.00 0.00 N ATOM 866 CA SER B 39 -9.468 7.369 -12.296 1.00 0.00 C ATOM 867 C SER B 39 -10.297 7.040 -11.051 1.00 0.00 C ATOM 868 O SER B 39 -9.956 6.126 -10.294 1.00 0.00 O ATOM 869 CB SER B 39 -10.251 7.117 -13.592 1.00 0.00 C ATOM 870 OG SER B 39 -10.663 5.761 -13.676 1.00 0.00 O ATOM 0 H SER B 39 -8.348 5.613 -12.189 1.00 0.00 H new ATOM 0 HA SER B 39 -9.237 8.433 -12.238 1.00 0.00 H new ATOM 0 HB2 SER B 39 -11.123 7.770 -13.628 1.00 0.00 H new ATOM 0 HB3 SER B 39 -9.630 7.367 -14.452 1.00 0.00 H new ATOM 0 HG SER B 39 -11.162 5.622 -14.508 1.00 0.00 H new ATOM 876 N ASP B 40 -11.356 7.818 -10.803 1.00 0.00 N ATOM 877 CA ASP B 40 -12.093 7.827 -9.529 1.00 0.00 C ATOM 878 C ASP B 40 -12.559 6.439 -9.068 1.00 0.00 C ATOM 879 O ASP B 40 -12.426 6.104 -7.894 1.00 0.00 O ATOM 880 CB ASP B 40 -13.275 8.811 -9.641 1.00 0.00 C ATOM 881 CG ASP B 40 -13.764 9.347 -8.282 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.919 9.846 -7.501 1.00 0.00 O ATOM 883 OD2 ASP B 40 -14.992 9.324 -8.026 1.00 0.00 O ATOM 0 H ASP B 40 -11.733 8.470 -11.491 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.401 8.158 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.978 9.652 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.104 8.314 -10.145 1.00 0.00 H new ATOM 888 N GLU B 41 -13.039 5.596 -9.988 1.00 0.00 N ATOM 889 CA GLU B 41 -13.408 4.185 -9.738 1.00 0.00 C ATOM 890 C GLU B 41 -12.233 3.334 -9.277 1.00 0.00 C ATOM 891 O GLU B 41 -12.274 2.743 -8.202 1.00 0.00 O ATOM 892 CB GLU B 41 -13.966 3.558 -11.021 1.00 0.00 C ATOM 893 CG GLU B 41 -15.329 4.135 -11.384 1.00 0.00 C ATOM 894 CD GLU B 41 -16.459 3.208 -10.944 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.450 2.759 -9.774 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.353 2.932 -11.774 1.00 0.00 O ATOM 0 H GLU B 41 -13.188 5.877 -10.957 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.152 4.201 -8.942 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.269 3.727 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.050 2.479 -10.892 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.451 5.110 -10.912 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.384 4.293 -12.461 1.00 0.00 H new ATOM 903 N GLN B 42 -11.168 3.319 -10.075 1.00 0.00 N ATOM 904 CA GLN B 42 -9.922 2.577 -9.800 1.00 0.00 C ATOM 905 C GLN B 42 -9.284 2.995 -8.465 1.00 0.00 C ATOM 906 O GLN B 42 -8.846 2.150 -7.681 1.00 0.00 O ATOM 907 CB GLN B 42 -8.922 2.755 -10.949 1.00 0.00 C ATOM 908 CG GLN B 42 -9.490 2.460 -12.348 1.00 0.00 C ATOM 909 CD GLN B 42 -10.169 1.107 -12.462 1.00 0.00 C ATOM 910 OE1 GLN B 42 -9.728 0.108 -11.915 1.00 0.00 O ATOM 911 NE2 GLN B 42 -11.269 1.035 -13.182 1.00 0.00 N ATOM 0 H GLN B 42 -11.138 3.833 -10.955 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.186 1.522 -9.720 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.549 3.779 -10.932 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -8.068 2.101 -10.773 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -10.206 3.239 -12.610 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -8.681 2.512 -13.077 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -11.636 1.870 -13.638 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -11.755 0.144 -13.284 1.00 0.00 H new ATOM 920 N TYR B 43 -9.303 4.296 -8.167 1.00 0.00 N ATOM 921 CA TYR B 43 -8.818 4.863 -6.909 1.00 0.00 C ATOM 922 C TYR B 43 -9.690 4.452 -5.714 1.00 0.00 C ATOM 923 O TYR B 43 -9.170 4.034 -4.681 1.00 0.00 O ATOM 924 CB TYR B 43 -8.776 6.388 -7.054 1.00 0.00 C ATOM 925 CG TYR B 43 -8.018 7.097 -5.949 1.00 0.00 C ATOM 926 CD1 TYR B 43 -8.654 7.415 -4.732 1.00 0.00 C ATOM 927 CD2 TYR B 43 -6.667 7.442 -6.142 1.00 0.00 C ATOM 928 CE1 TYR B 43 -7.934 8.062 -3.711 1.00 0.00 C ATOM 929 CE2 TYR B 43 -5.958 8.111 -5.128 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.587 8.410 -3.907 1.00 0.00 C ATOM 931 OH TYR B 43 -5.898 9.040 -2.915 1.00 0.00 O ATOM 0 H TYR B 43 -9.665 5.000 -8.810 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.820 4.474 -6.707 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.319 6.638 -8.011 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.797 6.767 -7.080 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -9.693 7.162 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -6.174 7.193 -7.070 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -8.418 8.292 -2.773 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -4.928 8.395 -5.288 1.00 0.00 H new ATOM 0 HH TYR B 43 -4.979 9.209 -3.211 1.00 0.00 H new ATOM 941 N GLN B 44 -11.018 4.499 -5.862 1.00 0.00 N ATOM 942 CA GLN B 44 -11.976 4.118 -4.812 1.00 0.00 C ATOM 943 C GLN B 44 -11.925 2.626 -4.473 1.00 0.00 C ATOM 944 O GLN B 44 -11.965 2.254 -3.305 1.00 0.00 O ATOM 945 CB GLN B 44 -13.411 4.467 -5.218 1.00 0.00 C ATOM 946 CG GLN B 44 -13.742 5.944 -4.988 1.00 0.00 C ATOM 947 CD GLN B 44 -15.092 6.281 -5.580 1.00 0.00 C ATOM 948 OE1 GLN B 44 -16.075 6.479 -4.877 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.174 6.324 -6.891 1.00 0.00 N ATOM 0 H GLN B 44 -11.466 4.806 -6.725 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.682 4.686 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.556 4.225 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -14.106 3.849 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.742 6.161 -3.920 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -12.973 6.570 -5.440 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.344 6.156 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -16.068 6.525 -7.340 1.00 0.00 H new ATOM 958 N LYS B 45 -11.794 1.764 -5.481 1.00 0.00 N ATOM 959 CA LYS B 45 -11.590 0.324 -5.304 1.00 0.00 C ATOM 960 C LYS B 45 -10.316 0.011 -4.492 1.00 0.00 C ATOM 961 O LYS B 45 -10.334 -0.882 -3.642 1.00 0.00 O ATOM 962 CB LYS B 45 -11.595 -0.342 -6.693 1.00 0.00 C ATOM 963 CG LYS B 45 -12.738 -1.358 -6.886 1.00 0.00 C ATOM 964 CD LYS B 45 -14.166 -0.779 -6.822 1.00 0.00 C ATOM 965 CE LYS B 45 -14.435 0.265 -7.916 1.00 0.00 C ATOM 966 NZ LYS B 45 -15.837 0.736 -7.907 1.00 0.00 N ATOM 0 H LYS B 45 -11.827 2.050 -6.460 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.406 -0.091 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.675 0.431 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.641 -0.847 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.607 -1.846 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.645 -2.131 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.887 -1.591 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.325 -0.323 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.767 1.115 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.204 -0.165 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.947 1.510 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -16.468 -0.049 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -16.082 1.078 -6.956 1.00 0.00 H new ATOM 980 N LEU B 46 -9.238 0.784 -4.673 1.00 0.00 N ATOM 981 CA LEU B 46 -8.031 0.673 -3.852 1.00 0.00 C ATOM 982 C LEU B 46 -8.148 1.319 -2.457 1.00 0.00 C ATOM 983 O LEU B 46 -7.715 0.734 -1.465 1.00 0.00 O ATOM 984 CB LEU B 46 -6.836 1.212 -4.662 1.00 0.00 C ATOM 985 CG LEU B 46 -5.839 0.067 -4.864 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.896 0.320 -6.027 1.00 0.00 C ATOM 987 CD2 LEU B 46 -5.003 -0.150 -3.601 1.00 0.00 C ATOM 0 H LEU B 46 -9.180 1.504 -5.394 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.875 -0.382 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.172 1.597 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.362 2.040 -4.135 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.432 -0.820 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.209 -0.521 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.472 0.430 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.328 1.232 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.301 -0.968 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.451 0.761 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.660 -0.398 -2.768 1.00 0.00 H new ATOM 999 N GLU B 47 -8.802 2.478 -2.346 1.00 0.00 N ATOM 1000 CA GLU B 47 -9.137 3.143 -1.066 1.00 0.00 C ATOM 1001 C GLU B 47 -10.022 2.280 -0.162 1.00 0.00 C ATOM 1002 O GLU B 47 -9.787 2.197 1.042 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.796 4.501 -1.339 1.00 0.00 C ATOM 1004 CG GLU B 47 -10.114 5.287 -0.070 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.694 6.649 -0.431 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.904 6.716 -0.739 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.943 7.649 -0.380 1.00 0.00 O ATOM 0 H GLU B 47 -9.125 3.001 -3.160 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.203 3.295 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.136 5.096 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.717 4.343 -1.900 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.824 4.732 0.543 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -9.210 5.414 0.525 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.983 1.566 -0.746 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.820 0.581 -0.060 1.00 0.00 C ATOM 1016 C LYS B 48 -10.979 -0.569 0.532 1.00 0.00 C ATOM 1017 O LYS B 48 -11.212 -1.003 1.661 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.883 0.064 -1.046 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.902 -0.890 -0.401 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.956 -1.335 -1.427 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.963 -2.295 -0.782 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.980 -2.764 -1.748 1.00 0.00 N ATOM 0 H LYS B 48 -11.208 1.659 -1.737 1.00 0.00 H new ATOM 0 HA LYS B 48 -12.317 1.057 0.786 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.413 0.914 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.386 -0.450 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.387 -1.763 0.000 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.391 -0.395 0.438 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -15.478 -0.463 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -14.468 -1.824 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -15.432 -3.153 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -16.458 -1.795 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -17.640 -3.410 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -17.505 -1.948 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.511 -3.264 -2.530 1.00 0.00 H new ATOM 1036 N MET B 49 -9.955 -1.018 -0.202 1.00 0.00 N ATOM 1037 CA MET B 49 -8.970 -1.999 0.262 1.00 0.00 C ATOM 1038 C MET B 49 -8.067 -1.447 1.377 1.00 0.00 C ATOM 1039 O MET B 49 -7.783 -2.142 2.349 1.00 0.00 O ATOM 1040 CB MET B 49 -8.102 -2.438 -0.927 1.00 0.00 C ATOM 1041 CG MET B 49 -8.226 -3.939 -1.183 1.00 0.00 C ATOM 1042 SD MET B 49 -7.045 -4.664 -2.360 1.00 0.00 S ATOM 1043 CE MET B 49 -6.661 -3.288 -3.474 1.00 0.00 C ATOM 0 H MET B 49 -9.785 -0.702 -1.157 1.00 0.00 H new ATOM 0 HA MET B 49 -9.517 -2.845 0.678 1.00 0.00 H new ATOM 0 HB2 MET B 49 -8.401 -1.889 -1.820 1.00 0.00 H new ATOM 0 HB3 MET B 49 -7.060 -2.185 -0.732 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.119 -4.457 -0.230 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.234 -4.141 -1.544 1.00 0.00 H new ATOM 0 HE1 MET B 49 -6.173 -3.671 -4.370 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.583 -2.777 -3.753 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.996 -2.587 -2.970 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.649 -0.182 1.275 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.721 0.462 2.202 1.00 0.00 C ATOM 1055 C ALA B 50 -7.220 0.549 3.651 1.00 0.00 C ATOM 1056 O ALA B 50 -6.407 0.597 4.568 1.00 0.00 O ATOM 1057 CB ALA B 50 -6.337 1.834 1.650 1.00 0.00 C ATOM 0 H ALA B 50 -7.956 0.437 0.525 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.840 -0.177 2.266 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.644 2.321 2.336 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.860 1.714 0.677 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -7.232 2.446 1.542 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.528 0.468 3.893 1.00 0.00 N ATOM 1064 CA ASN B 51 -9.093 0.286 5.236 1.00 0.00 C ATOM 1065 C ASN B 51 -8.568 -0.986 5.965 1.00 0.00 C ATOM 1066 O ASN B 51 -8.509 -1.017 7.194 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.619 0.297 5.102 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.325 0.211 6.449 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.177 1.073 7.307 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -12.114 -0.822 6.672 1.00 0.00 N ATOM 0 H ASN B 51 -9.234 0.527 3.159 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.765 1.106 5.875 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.929 1.209 4.591 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.931 -0.540 4.478 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.605 -0.906 7.562 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -12.234 -1.537 5.954 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.118 -2.005 5.216 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.479 -3.245 5.711 1.00 0.00 C ATOM 1079 C GLU B 52 -6.035 -3.041 6.203 1.00 0.00 C ATOM 1080 O GLU B 52 -5.499 -3.864 6.945 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.508 -4.324 4.613 1.00 0.00 C ATOM 1082 CG GLU B 52 -7.393 -5.771 5.097 1.00 0.00 C ATOM 1083 CD GLU B 52 -8.615 -6.192 5.906 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -9.669 -6.474 5.290 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -8.514 -6.273 7.151 1.00 0.00 O ATOM 0 H GLU B 52 -8.191 -1.991 4.199 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.059 -3.565 6.577 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.438 -4.221 4.053 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.693 -4.128 3.916 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -7.278 -6.434 4.239 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -6.497 -5.881 5.707 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.430 -1.904 5.837 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.093 -1.412 6.260 1.00 0.00 C ATOM 1094 C GLU B 53 -4.188 -0.054 6.978 1.00 0.00 C ATOM 1095 O GLU B 53 -3.181 0.587 7.279 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.167 -1.351 5.033 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.657 -1.319 5.288 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.166 -2.615 5.925 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.904 -3.584 5.176 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -1.003 -2.650 7.165 1.00 0.00 O ATOM 0 H GLU B 53 -5.883 -1.253 5.195 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.670 -2.108 6.985 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.384 -2.215 4.405 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.430 -0.464 4.457 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.132 -1.154 4.347 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.415 -0.479 5.939 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.421 0.366 7.287 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.794 1.603 8.001 1.00 0.00 C ATOM 1109 C GLU B 54 -5.442 2.880 7.224 1.00 0.00 C ATOM 1110 O GLU B 54 -4.636 3.705 7.655 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.287 1.582 9.456 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.099 2.520 10.342 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.524 2.531 11.753 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -5.925 1.669 12.568 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.683 3.410 12.050 1.00 0.00 O ATOM 0 H GLU B 54 -6.242 -0.182 7.030 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.882 1.630 8.062 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.346 0.567 9.849 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.237 1.873 9.481 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.086 3.528 9.927 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.140 2.199 10.367 1.00 0.00 H new ATOM 1122 N GLU B 55 -6.081 3.019 6.054 1.00 0.00 N ATOM 1123 CA GLU B 55 -6.035 4.164 5.111 1.00 0.00 C ATOM 1124 C GLU B 55 -4.629 4.683 4.782 1.00 0.00 C ATOM 1125 O GLU B 55 -4.143 5.679 5.318 1.00 0.00 O ATOM 1126 CB GLU B 55 -7.039 5.275 5.472 1.00 0.00 C ATOM 1127 CG GLU B 55 -6.975 5.826 6.899 1.00 0.00 C ATOM 1128 CD GLU B 55 -7.989 6.949 7.067 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -9.145 6.658 7.449 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -7.625 8.124 6.831 1.00 0.00 O ATOM 0 H GLU B 55 -6.693 2.280 5.708 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.373 3.747 4.162 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.891 6.105 4.781 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -8.045 4.893 5.300 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.179 5.030 7.615 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -5.972 6.196 7.111 1.00 0.00 H new ATOM 1137 N SER B 56 -3.987 3.984 3.845 1.00 0.00 N ATOM 1138 CA SER B 56 -2.606 4.201 3.391 1.00 0.00 C ATOM 1139 C SER B 56 -2.534 4.086 1.853 1.00 0.00 C ATOM 1140 O SER B 56 -1.731 3.348 1.270 1.00 0.00 O ATOM 1141 CB SER B 56 -1.675 3.221 4.128 1.00 0.00 C ATOM 1142 OG SER B 56 -0.323 3.647 4.074 1.00 0.00 O ATOM 0 H SER B 56 -4.436 3.211 3.355 1.00 0.00 H new ATOM 0 HA SER B 56 -2.268 5.208 3.636 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.988 3.133 5.168 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.763 2.230 3.683 1.00 0.00 H new ATOM 0 HG SER B 56 0.242 3.004 4.552 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.491 4.742 1.181 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.703 4.650 -0.275 1.00 0.00 C ATOM 1150 C VAL B 57 -2.452 5.134 -1.032 1.00 0.00 C ATOM 1151 O VAL B 57 -2.078 6.305 -0.951 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.938 5.443 -0.770 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.378 4.935 -2.152 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -6.147 5.319 0.163 1.00 0.00 C ATOM 0 H VAL B 57 -4.154 5.365 1.642 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.891 3.597 -0.484 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.624 6.486 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.247 5.501 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.563 5.065 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.637 3.878 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.978 5.897 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.439 4.272 0.244 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.885 5.700 1.150 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.765 4.217 -1.716 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.448 4.436 -2.347 1.00 0.00 C ATOM 1166 C GLY B 58 0.582 3.409 -1.879 1.00 0.00 C ATOM 1167 O GLY B 58 1.110 2.632 -2.673 1.00 0.00 O ATOM 0 H GLY B 58 -2.115 3.269 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.550 4.381 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -0.094 5.440 -2.111 1.00 0.00 H new ATOM 1171 N SER B 59 0.777 3.289 -0.570 1.00 0.00 N ATOM 1172 CA SER B 59 1.524 2.174 0.009 1.00 0.00 C ATOM 1173 C SER B 59 0.834 0.835 -0.279 1.00 0.00 C ATOM 1174 O SER B 59 1.499 -0.141 -0.617 1.00 0.00 O ATOM 1175 CB SER B 59 1.632 2.378 1.518 1.00 0.00 C ATOM 1176 OG SER B 59 2.280 3.601 1.838 1.00 0.00 O ATOM 0 H SER B 59 0.425 3.956 0.117 1.00 0.00 H new ATOM 0 HA SER B 59 2.516 2.148 -0.442 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.635 2.368 1.959 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.184 1.548 1.959 1.00 0.00 H new ATOM 0 HG SER B 59 2.330 3.700 2.812 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.506 0.800 -0.249 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.286 -0.382 -0.645 1.00 0.00 C ATOM 1184 C TYR B 60 -1.070 -0.780 -2.116 1.00 0.00 C ATOM 1185 O TYR B 60 -0.900 -1.957 -2.422 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.776 -0.134 -0.374 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.515 -1.377 0.086 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.818 -2.409 -0.823 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.875 -1.518 1.439 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.478 -3.567 -0.373 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.574 -2.661 1.872 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.871 -3.689 0.968 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.528 -4.804 1.394 1.00 0.00 O ATOM 0 H TYR B 60 -1.079 1.589 0.050 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.931 -1.218 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.876 0.642 0.385 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.246 0.245 -1.282 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.544 -2.312 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.614 -0.746 2.148 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.684 -4.369 -1.066 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.882 -2.745 2.904 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.315 -4.970 2.336 1.00 0.00 H new ATOM 1203 N ILE B 61 -1.000 0.209 -3.016 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.684 0.024 -4.451 1.00 0.00 C ATOM 1205 C ILE B 61 0.651 -0.692 -4.595 1.00 0.00 C ATOM 1206 O ILE B 61 0.737 -1.756 -5.210 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.668 1.398 -5.190 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.103 1.822 -5.506 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.176 1.455 -6.484 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.312 3.325 -5.706 1.00 0.00 C ATOM 0 H ILE B 61 -1.164 1.185 -2.768 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.458 -0.590 -4.911 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.180 2.085 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.427 1.304 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.750 1.487 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.116 2.455 -6.914 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.215 1.222 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.207 0.728 -7.200 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.362 3.520 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.026 3.856 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.698 3.670 -6.537 1.00 0.00 H new ATOM 1222 N LYS B 62 1.681 -0.141 -3.955 1.00 0.00 N ATOM 1223 CA LYS B 62 3.005 -0.732 -4.008 1.00 0.00 C ATOM 1224 C LYS B 62 3.000 -2.139 -3.398 1.00 0.00 C ATOM 1225 O LYS B 62 3.400 -3.099 -4.050 1.00 0.00 O ATOM 1226 CB LYS B 62 4.007 0.223 -3.324 1.00 0.00 C ATOM 1227 CG LYS B 62 5.224 0.495 -4.220 1.00 0.00 C ATOM 1228 CD LYS B 62 6.289 1.392 -3.562 1.00 0.00 C ATOM 1229 CE LYS B 62 7.049 0.677 -2.435 1.00 0.00 C ATOM 1230 NZ LYS B 62 8.071 1.547 -1.813 1.00 0.00 N ATOM 0 H LYS B 62 1.619 0.711 -3.397 1.00 0.00 H new ATOM 0 HA LYS B 62 3.320 -0.860 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.511 1.164 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.338 -0.210 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.682 -0.455 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS B 62 4.886 0.965 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.998 1.723 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.809 2.285 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS B 62 6.342 0.348 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.528 -0.218 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.723 0.967 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.605 2.042 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.605 2.245 -1.198 1.00 0.00 H new ATOM 1244 N ARG B 63 2.451 -2.293 -2.193 1.00 0.00 N ATOM 1245 CA ARG B 63 2.406 -3.571 -1.483 1.00 0.00 C ATOM 1246 C ARG B 63 1.712 -4.665 -2.309 1.00 0.00 C ATOM 1247 O ARG B 63 2.189 -5.794 -2.327 1.00 0.00 O ATOM 1248 CB ARG B 63 1.731 -3.383 -0.110 1.00 0.00 C ATOM 1249 CG ARG B 63 1.948 -4.558 0.861 1.00 0.00 C ATOM 1250 CD ARG B 63 3.393 -4.619 1.383 1.00 0.00 C ATOM 1251 NE ARG B 63 3.603 -5.752 2.303 1.00 0.00 N ATOM 1252 CZ ARG B 63 3.337 -5.800 3.599 1.00 0.00 C ATOM 1253 NH1 ARG B 63 2.760 -4.818 4.237 1.00 0.00 N ATOM 1254 NH2 ARG B 63 3.651 -6.860 4.291 1.00 0.00 N ATOM 0 H ARG B 63 2.020 -1.526 -1.677 1.00 0.00 H new ATOM 0 HA ARG B 63 3.430 -3.909 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.112 -2.471 0.349 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.661 -3.241 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG B 63 1.263 -4.463 1.703 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.705 -5.494 0.357 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.079 -4.705 0.540 1.00 0.00 H new ATOM 0 HD3 ARG B 63 3.633 -3.687 1.895 1.00 0.00 H new ATOM 0 HE ARG B 63 4.000 -6.598 1.893 1.00 0.00 H new ATOM 0 HH11 ARG B 63 2.495 -3.970 3.736 1.00 0.00 H new ATOM 0 HH12 ARG B 63 2.574 -4.899 5.237 1.00 0.00 H new ATOM 0 HH21 ARG B 63 4.102 -7.653 3.834 1.00 0.00 H new ATOM 0 HH22 ARG B 63 3.446 -6.896 5.289 1.00 0.00 H new ATOM 1268 N TYR B 64 0.652 -4.344 -3.058 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.065 -5.326 -3.877 1.00 0.00 C ATOM 1270 C TYR B 64 0.746 -5.786 -5.094 1.00 0.00 C ATOM 1271 O TYR B 64 0.880 -6.977 -5.372 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.418 -4.755 -4.319 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.492 -5.833 -4.382 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.353 -6.945 -5.239 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.573 -5.792 -3.485 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.246 -8.028 -5.148 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.486 -6.862 -3.421 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.320 -7.982 -4.246 1.00 0.00 C ATOM 1279 OH TYR B 64 -5.198 -9.022 -4.164 1.00 0.00 O ATOM 0 H TYR B 64 0.268 -3.400 -3.113 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.226 -6.207 -3.256 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.727 -3.974 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.313 -4.288 -5.298 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.557 -6.965 -5.969 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.704 -4.935 -2.841 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.105 -8.897 -5.774 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.318 -6.819 -2.733 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.879 -8.823 -3.487 1.00 0.00 H new ATOM 1289 N ILE B 65 1.359 -4.825 -5.775 1.00 0.00 N ATOM 1290 CA ILE B 65 2.269 -5.042 -6.908 1.00 0.00 C ATOM 1291 C ILE B 65 3.448 -5.903 -6.452 1.00 0.00 C ATOM 1292 O ILE B 65 3.781 -6.894 -7.095 1.00 0.00 O ATOM 1293 CB ILE B 65 2.720 -3.682 -7.489 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.541 -3.018 -8.224 1.00 0.00 C ATOM 1295 CG2 ILE B 65 3.925 -3.791 -8.437 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.761 -1.533 -8.527 1.00 0.00 C ATOM 0 H ILE B 65 1.236 -3.838 -5.551 1.00 0.00 H new ATOM 0 HA ILE B 65 1.758 -5.578 -7.708 1.00 0.00 H new ATOM 0 HB ILE B 65 3.041 -3.072 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.363 -3.548 -9.160 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.640 -3.127 -7.620 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.187 -2.800 -8.807 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.774 -4.214 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.670 -4.436 -9.277 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.889 -1.134 -9.045 1.00 0.00 H new ATOM 0 HD12 ILE B 65 1.908 -0.989 -7.594 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.642 -1.417 -9.158 1.00 0.00 H new ATOM 1308 N LEU B 66 4.022 -5.584 -5.293 1.00 0.00 N ATOM 1309 CA LEU B 66 5.199 -6.255 -4.743 1.00 0.00 C ATOM 1310 C LEU B 66 4.834 -7.659 -4.224 1.00 0.00 C ATOM 1311 O LEU B 66 5.607 -8.606 -4.382 1.00 0.00 O ATOM 1312 CB LEU B 66 5.803 -5.338 -3.663 1.00 0.00 C ATOM 1313 CG LEU B 66 6.704 -4.190 -4.187 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.449 -3.665 -5.604 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.611 -2.968 -3.278 1.00 0.00 C ATOM 0 H LEU B 66 3.673 -4.834 -4.696 1.00 0.00 H new ATOM 0 HA LEU B 66 5.954 -6.421 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.988 -4.902 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.388 -5.951 -2.977 1.00 0.00 H new ATOM 0 HG LEU B 66 7.679 -4.676 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.156 -2.866 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.578 -4.476 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.432 -3.279 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.252 -2.176 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.580 -2.617 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.935 -3.237 -2.273 1.00 0.00 H new ATOM 1327 N LYS B 67 3.616 -7.822 -3.706 1.00 0.00 N ATOM 1328 CA LYS B 67 3.053 -9.116 -3.329 1.00 0.00 C ATOM 1329 C LYS B 67 2.801 -10.026 -4.547 1.00 0.00 C ATOM 1330 O LYS B 67 3.112 -11.217 -4.506 1.00 0.00 O ATOM 1331 CB LYS B 67 1.775 -8.876 -2.514 1.00 0.00 C ATOM 1332 CG LYS B 67 1.202 -10.183 -1.941 1.00 0.00 C ATOM 1333 CD LYS B 67 0.086 -9.962 -0.906 1.00 0.00 C ATOM 1334 CE LYS B 67 0.626 -9.369 0.404 1.00 0.00 C ATOM 1335 NZ LYS B 67 -0.421 -9.288 1.448 1.00 0.00 N ATOM 0 H LYS B 67 2.982 -7.042 -3.534 1.00 0.00 H new ATOM 0 HA LYS B 67 3.777 -9.652 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.990 -8.186 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.026 -8.399 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.813 -10.789 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS B 67 2.008 -10.752 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.668 -9.294 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.409 -10.911 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS B 67 1.452 -9.981 0.766 1.00 0.00 H new ATOM 0 HE3 LYS B 67 1.026 -8.373 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -0.015 -8.883 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.198 -8.683 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -0.785 -10.241 1.649 1.00 0.00 H new ATOM 1349 N ALA B 68 2.310 -9.470 -5.657 1.00 0.00 N ATOM 1350 CA ALA B 68 2.194 -10.188 -6.931 1.00 0.00 C ATOM 1351 C ALA B 68 3.576 -10.541 -7.538 1.00 0.00 C ATOM 1352 O ALA B 68 3.788 -11.660 -8.015 1.00 0.00 O ATOM 1353 CB ALA B 68 1.325 -9.349 -7.871 1.00 0.00 C ATOM 0 H ALA B 68 1.980 -8.506 -5.699 1.00 0.00 H new ATOM 0 HA ALA B 68 1.714 -11.153 -6.767 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.223 -9.862 -8.827 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.339 -9.209 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.793 -8.377 -8.029 1.00 0.00 H new ATOM 1359 N LEU B 69 4.558 -9.640 -7.424 1.00 0.00 N ATOM 1360 CA LEU B 69 5.925 -9.789 -7.931 1.00 0.00 C ATOM 1361 C LEU B 69 6.741 -10.878 -7.218 1.00 0.00 C ATOM 1362 O LEU B 69 7.687 -11.419 -7.793 1.00 0.00 O ATOM 1363 CB LEU B 69 6.622 -8.418 -7.866 1.00 0.00 C ATOM 1364 CG LEU B 69 6.790 -7.740 -9.242 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.324 -6.288 -9.242 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.258 -7.722 -9.640 1.00 0.00 C ATOM 0 H LEU B 69 4.414 -8.746 -6.954 1.00 0.00 H new ATOM 0 HA LEU B 69 5.863 -10.132 -8.964 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.048 -7.759 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.604 -8.541 -7.410 1.00 0.00 H new ATOM 0 HG LEU B 69 6.182 -8.319 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.465 -5.861 -10.235 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.268 -6.245 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.905 -5.719 -8.516 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.365 -7.241 -10.612 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.830 -7.167 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU B 69 8.632 -8.744 -9.697 1.00 0.00 H new ATOM 1378 N ARG B 70 6.346 -11.247 -5.999 1.00 0.00 N ATOM 1379 CA ARG B 70 6.904 -12.399 -5.288 1.00 0.00 C ATOM 1380 C ARG B 70 6.710 -13.744 -6.027 1.00 0.00 C ATOM 1381 O ARG B 70 7.513 -14.661 -5.836 1.00 0.00 O ATOM 1382 CB ARG B 70 6.355 -12.483 -3.859 1.00 0.00 C ATOM 1383 CG ARG B 70 6.953 -11.387 -2.954 1.00 0.00 C ATOM 1384 CD ARG B 70 7.694 -11.960 -1.737 1.00 0.00 C ATOM 1385 NE ARG B 70 8.873 -12.756 -2.138 1.00 0.00 N ATOM 1386 CZ ARG B 70 10.115 -12.331 -2.305 1.00 0.00 C ATOM 1387 NH1 ARG B 70 10.465 -11.088 -2.112 1.00 0.00 N ATOM 1388 NH2 ARG B 70 11.046 -13.164 -2.682 1.00 0.00 N ATOM 0 H ARG B 70 5.625 -10.752 -5.473 1.00 0.00 H new ATOM 0 HA ARG B 70 7.980 -12.228 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.270 -12.386 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.579 -13.464 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.641 -10.775 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.154 -10.729 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG B 70 8.010 -11.144 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG B 70 7.014 -12.584 -1.158 1.00 0.00 H new ATOM 0 HE ARG B 70 8.710 -13.749 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG B 70 9.769 -10.402 -1.821 1.00 0.00 H new ATOM 0 HH12 ARG B 70 11.434 -10.803 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG B 70 10.817 -14.144 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG B 70 12.003 -12.835 -2.810 1.00 0.00 H new ATOM 1402 N LYS B 71 5.674 -13.867 -6.871 1.00 0.00 N ATOM 1403 CA LYS B 71 5.394 -15.068 -7.675 1.00 0.00 C ATOM 1404 C LYS B 71 4.561 -14.767 -8.950 1.00 0.00 C ATOM 1405 O LYS B 71 3.406 -15.180 -9.085 1.00 0.00 O ATOM 1406 CB LYS B 71 4.798 -16.177 -6.796 1.00 0.00 C ATOM 1407 CG LYS B 71 4.951 -17.563 -7.445 1.00 0.00 C ATOM 1408 CD LYS B 71 4.468 -18.677 -6.506 1.00 0.00 C ATOM 1409 CE LYS B 71 4.683 -20.046 -7.164 1.00 0.00 C ATOM 1410 NZ LYS B 71 4.279 -21.156 -6.274 1.00 0.00 N ATOM 0 H LYS B 71 4.994 -13.121 -7.017 1.00 0.00 H new ATOM 0 HA LYS B 71 6.344 -15.440 -8.059 1.00 0.00 H new ATOM 0 HB2 LYS B 71 5.290 -16.174 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.742 -15.973 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.382 -17.596 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.996 -17.732 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS B 71 5.010 -18.629 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS B 71 3.412 -18.537 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS B 71 4.111 -20.097 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.734 -20.159 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 4.440 -22.063 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 4.842 -21.123 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 3.270 -21.063 -6.039 1.00 0.00 H new