USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 607 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: A 74 CYS SG : rot 147:sc= 1.46 USER MOD Set 1.2: A 77 CYS SG : rot -37:sc= 0.134 USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.246 K(o=0.94,f=-0.27) USER MOD Set 1.4: A 95 HIS : no HD1:sc= -0.904 K(o=0.94,f=0.13) USER MOD Set 2.1: A 73 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -177:sc= 1.05 (180deg=-0.0705) USER MOD Set 3.1: A 44 CYS SG : rot -126:sc= -3.16! USER MOD Set 3.2: A 47 CYS SG : rot -99:sc= -0.633! USER MOD Set 3.3: A 60 HIS : no HD1:sc=-0.00499 X(o=-4.5,f=-4.3) USER MOD Set 3.4: A 64 HIS : no HE2:sc= -0.667 X(o=-4.5,f=-4) USER MOD Set 4.1: A 51 CYS SG : rot 130:sc= 1.18 USER MOD Set 4.2: A 56 SER OG : rot 165:sc= 0.423 USER MOD Set 5.1: A 16 CYS SG : rot -170:sc= 0.413 USER MOD Set 5.2: A 19 CYS SG : rot 57:sc= 0.307 USER MOD Set 5.3: A 32 HIS : no HE2:sc= 0.097 K(o=0.019,f=-1.3) USER MOD Set 5.4: A 36 HIS :FLIP no HD1:sc= -0.798 F(o=-2.7!,f=0.019) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.307 K(o=-0.31,f=-1.1) USER MOD Single : A 28 ASN : amide:sc= -0.648 K(o=-0.65,f=-2.1) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 30:sc= -1.16! USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0166) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 50 THR OG1 : rot -161:sc= 1.41 USER MOD Single : A 53 GLN : amide:sc= -0.0934 K(o=-0.093,f=-2.8!) USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= -1.46 (180deg=-3.73!) USER MOD Single : A 58 ASN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 61 MET CE :methyl -160:sc= -0.0889 (180deg=-0.568) USER MOD Single : A 62 LYS NZ :NH3+ -138:sc= -0.494 (180deg=-0.907) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.68 K(o=-1.7,f=-6.3!) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc=-0.00772 (180deg=-0.11) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= 0.654 (180deg=0.0554) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.42 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.053 (180deg=-0.362) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -32:sc= 0.264 USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 14.414 -11.741 15.919 1.00 0.00 N ATOM 37 CA ARG A 12 13.408 -11.848 14.843 1.00 0.00 C ATOM 38 C ARG A 12 13.315 -10.474 14.161 1.00 0.00 C ATOM 39 O ARG A 12 12.268 -10.076 13.633 1.00 0.00 O ATOM 40 CB ARG A 12 12.021 -12.318 15.429 1.00 0.00 C ATOM 41 CG ARG A 12 11.306 -13.445 14.638 1.00 0.00 C ATOM 42 CD ARG A 12 10.997 -13.072 13.176 1.00 0.00 C ATOM 43 NE ARG A 12 10.251 -14.126 12.475 1.00 0.00 N ATOM 44 CZ ARG A 12 10.795 -15.147 11.785 1.00 0.00 C ATOM 45 NH1 ARG A 12 12.112 -15.309 11.727 1.00 0.00 N ATOM 46 NH2 ARG A 12 10.008 -16.014 11.175 1.00 0.00 N ATOM 0 HA ARG A 12 13.698 -12.598 14.107 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.176 -12.659 16.452 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.357 -11.455 15.478 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.929 -14.339 14.652 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.374 -13.698 15.144 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.421 -12.147 13.154 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.931 -12.879 12.648 1.00 0.00 H new ATOM 0 HE ARG A 12 9.233 -14.081 12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.728 -14.655 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.507 -16.088 11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.995 -15.908 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.413 -16.790 10.651 1.00 0.00 H new ATOM 60 N ASP A 13 14.470 -9.794 14.110 1.00 0.00 N ATOM 61 CA ASP A 13 14.556 -8.359 13.848 1.00 0.00 C ATOM 62 C ASP A 13 15.423 -8.144 12.620 1.00 0.00 C ATOM 63 O ASP A 13 16.648 -7.992 12.711 1.00 0.00 O ATOM 64 CB ASP A 13 15.138 -7.610 15.072 1.00 0.00 C ATOM 65 CG ASP A 13 14.366 -7.901 16.372 1.00 0.00 C ATOM 66 OD1 ASP A 13 13.294 -7.296 16.591 1.00 0.00 O ATOM 67 OD2 ASP A 13 14.806 -8.778 17.162 1.00 0.00 O ATOM 0 H ASP A 13 15.379 -10.235 14.252 1.00 0.00 H new ATOM 0 HA ASP A 13 13.559 -7.958 13.667 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.182 -7.894 15.203 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.122 -6.538 14.877 1.00 0.00 H new ATOM 72 N TYR A 14 14.772 -8.217 11.469 1.00 0.00 N ATOM 73 CA TYR A 14 15.415 -8.079 10.157 1.00 0.00 C ATOM 74 C TYR A 14 15.331 -6.626 9.699 1.00 0.00 C ATOM 75 O TYR A 14 14.246 -6.105 9.402 1.00 0.00 O ATOM 76 CB TYR A 14 14.789 -9.074 9.152 1.00 0.00 C ATOM 77 CG TYR A 14 15.152 -10.519 9.523 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.402 -11.239 10.456 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.290 -11.128 8.990 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.773 -12.518 10.826 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.666 -12.397 9.369 1.00 0.00 C ATOM 82 CZ TYR A 14 15.906 -13.090 10.284 1.00 0.00 C ATOM 83 OH TYR A 14 16.293 -14.355 10.671 1.00 0.00 O ATOM 0 H TYR A 14 13.766 -8.376 11.412 1.00 0.00 H new ATOM 0 HA TYR A 14 16.473 -8.332 10.223 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.705 -8.957 9.143 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.142 -8.852 8.145 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.522 -10.791 10.893 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.887 -10.593 8.266 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.177 -13.069 11.538 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.554 -12.847 8.950 1.00 0.00 H new ATOM 0 HH TYR A 14 17.110 -14.608 10.193 1.00 0.00 H new ATOM 93 N ILE A 15 16.510 -5.984 9.662 1.00 0.00 N ATOM 94 CA ILE A 15 16.655 -4.532 9.517 1.00 0.00 C ATOM 95 C ILE A 15 17.193 -4.206 8.114 1.00 0.00 C ATOM 96 O ILE A 15 18.015 -4.949 7.563 1.00 0.00 O ATOM 97 CB ILE A 15 17.634 -3.944 10.613 1.00 0.00 C ATOM 98 CG1 ILE A 15 17.320 -4.516 12.024 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.631 -2.392 10.628 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.924 -4.254 12.509 1.00 0.00 C ATOM 0 H ILE A 15 17.403 -6.471 9.734 1.00 0.00 H new ATOM 0 HA ILE A 15 15.675 -4.074 9.654 1.00 0.00 H new ATOM 0 HB ILE A 15 18.640 -4.263 10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.490 -5.593 12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 15 18.025 -4.091 12.739 1.00 0.00 H new ATOM 0 HG21 ILE A 15 18.317 -2.034 11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.949 -2.018 9.655 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.625 -2.032 10.844 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.796 -4.689 13.500 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.752 -3.179 12.559 1.00 0.00 H new ATOM 0 HD13 ILE A 15 15.209 -4.704 11.820 1.00 0.00 H new ATOM 112 N CYS A 16 16.742 -3.073 7.566 1.00 0.00 N ATOM 113 CA CYS A 16 17.182 -2.546 6.267 1.00 0.00 C ATOM 114 C CYS A 16 18.251 -1.460 6.534 1.00 0.00 C ATOM 115 O CYS A 16 18.288 -0.416 5.872 1.00 0.00 O ATOM 116 CB CYS A 16 15.943 -2.016 5.511 1.00 0.00 C ATOM 117 SG CYS A 16 16.236 -1.512 3.790 1.00 0.00 S ATOM 0 H CYS A 16 16.046 -2.483 8.022 1.00 0.00 H new ATOM 0 HA CYS A 16 17.638 -3.309 5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.175 -2.790 5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.542 -1.163 6.058 1.00 0.00 H new ATOM 0 HG CYS A 16 15.187 -0.894 3.334 1.00 0.00 H new ATOM 122 N GLU A 17 19.168 -1.824 7.474 1.00 0.00 N ATOM 123 CA GLU A 17 20.244 -0.981 8.099 1.00 0.00 C ATOM 124 C GLU A 17 19.763 0.333 8.789 1.00 0.00 C ATOM 125 O GLU A 17 20.229 0.669 9.875 1.00 0.00 O ATOM 126 CB GLU A 17 21.362 -0.677 7.060 1.00 0.00 C ATOM 127 CG GLU A 17 22.661 -0.096 7.654 1.00 0.00 C ATOM 128 CD GLU A 17 23.772 0.119 6.605 1.00 0.00 C ATOM 129 OE1 GLU A 17 24.206 -0.869 5.967 1.00 0.00 O ATOM 130 OE2 GLU A 17 24.216 1.269 6.403 1.00 0.00 O ATOM 0 H GLU A 17 19.182 -2.775 7.844 1.00 0.00 H new ATOM 0 HA GLU A 17 20.634 -1.588 8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.603 -1.597 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.971 0.024 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.437 0.856 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.029 -0.767 8.430 1.00 0.00 H new ATOM 137 N TYR A 18 18.812 1.030 8.169 1.00 0.00 N ATOM 138 CA TYR A 18 18.447 2.415 8.480 1.00 0.00 C ATOM 139 C TYR A 18 16.923 2.539 8.536 1.00 0.00 C ATOM 140 O TYR A 18 16.363 3.179 9.422 1.00 0.00 O ATOM 141 CB TYR A 18 19.023 3.343 7.387 1.00 0.00 C ATOM 142 CG TYR A 18 19.063 4.826 7.775 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.464 5.208 9.052 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.699 5.834 6.880 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.508 6.527 9.424 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.744 7.166 7.251 1.00 0.00 C ATOM 147 CZ TYR A 18 19.146 7.509 8.527 1.00 0.00 C ATOM 148 OH TYR A 18 19.189 8.839 8.900 1.00 0.00 O ATOM 0 H TYR A 18 18.255 0.635 7.411 1.00 0.00 H new ATOM 0 HA TYR A 18 18.857 2.704 9.448 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.034 3.016 7.145 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.426 3.232 6.481 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.747 4.448 9.766 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.378 5.570 5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.826 6.797 10.420 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.466 7.935 6.545 1.00 0.00 H new ATOM 0 HH TYR A 18 18.903 9.399 8.148 1.00 0.00 H new ATOM 158 N CYS A 19 16.272 1.911 7.546 1.00 0.00 N ATOM 159 CA CYS A 19 14.816 2.039 7.309 1.00 0.00 C ATOM 160 C CYS A 19 14.094 0.690 7.464 1.00 0.00 C ATOM 161 O CYS A 19 13.411 0.211 6.543 1.00 0.00 O ATOM 162 CB CYS A 19 14.591 2.687 5.920 1.00 0.00 C ATOM 163 SG CYS A 19 15.773 2.152 4.652 1.00 0.00 S ATOM 0 H CYS A 19 16.738 1.295 6.880 1.00 0.00 H new ATOM 0 HA CYS A 19 14.377 2.689 8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.581 2.454 5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.651 3.771 6.023 1.00 0.00 H new ATOM 0 HG CYS A 19 15.732 0.858 4.539 1.00 0.00 H new ATOM 168 N ALA A 20 14.312 0.043 8.631 1.00 0.00 N ATOM 169 CA ALA A 20 13.400 -0.984 9.165 1.00 0.00 C ATOM 170 C ALA A 20 13.511 -1.077 10.698 1.00 0.00 C ATOM 171 O ALA A 20 14.620 -1.207 11.226 1.00 0.00 O ATOM 172 CB ALA A 20 13.641 -2.358 8.518 1.00 0.00 C ATOM 0 H ALA A 20 15.123 0.220 9.224 1.00 0.00 H new ATOM 0 HA ALA A 20 12.386 -0.676 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.948 -3.086 8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.481 -2.287 7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.665 -2.677 8.712 1.00 0.00 H new ATOM 178 N ARG A 21 12.356 -0.986 11.397 1.00 0.00 N ATOM 179 CA ARG A 21 12.301 -1.239 12.857 1.00 0.00 C ATOM 180 C ARG A 21 12.533 -2.735 13.106 1.00 0.00 C ATOM 181 O ARG A 21 13.447 -3.086 13.851 1.00 0.00 O ATOM 182 CB ARG A 21 10.991 -0.725 13.569 1.00 0.00 C ATOM 183 CG ARG A 21 9.715 -0.599 12.707 1.00 0.00 C ATOM 184 CD ARG A 21 9.655 0.726 11.918 1.00 0.00 C ATOM 185 NE ARG A 21 8.341 0.940 11.288 1.00 0.00 N ATOM 186 CZ ARG A 21 7.395 1.791 11.736 1.00 0.00 C ATOM 187 NH1 ARG A 21 7.595 2.525 12.839 1.00 0.00 N ATOM 188 NH2 ARG A 21 6.251 1.894 11.080 1.00 0.00 N ATOM 0 H ARG A 21 11.458 -0.742 10.980 1.00 0.00 H new ATOM 0 HA ARG A 21 13.094 -0.648 13.315 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.772 -1.398 14.398 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.204 0.253 14.000 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.670 -1.435 12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.838 -0.673 13.351 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.874 1.557 12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.428 0.725 11.150 1.00 0.00 H new ATOM 0 HE ARG A 21 8.130 0.403 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.472 2.445 13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.870 3.164 13.165 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.090 1.333 10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.529 2.535 11.411 1.00 0.00 H new ATOM 202 N ALA A 22 11.675 -3.602 12.520 1.00 0.00 N ATOM 203 CA ALA A 22 11.947 -5.049 12.384 1.00 0.00 C ATOM 204 C ALA A 22 10.906 -5.718 11.476 1.00 0.00 C ATOM 205 O ALA A 22 9.697 -5.562 11.692 1.00 0.00 O ATOM 206 CB ALA A 22 11.945 -5.737 13.755 1.00 0.00 C ATOM 0 H ALA A 22 10.777 -3.317 12.129 1.00 0.00 H new ATOM 0 HA ALA A 22 12.934 -5.157 11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.147 -6.801 13.629 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.715 -5.293 14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.971 -5.606 14.226 1.00 0.00 H new ATOM 212 N PHE A 23 11.382 -6.444 10.458 1.00 0.00 N ATOM 213 CA PHE A 23 10.534 -7.298 9.600 1.00 0.00 C ATOM 214 C PHE A 23 10.712 -8.759 10.015 1.00 0.00 C ATOM 215 O PHE A 23 11.724 -9.120 10.639 1.00 0.00 O ATOM 216 CB PHE A 23 10.892 -7.125 8.103 1.00 0.00 C ATOM 217 CG PHE A 23 10.362 -5.838 7.458 1.00 0.00 C ATOM 218 CD1 PHE A 23 11.059 -4.636 7.557 1.00 0.00 C ATOM 219 CD2 PHE A 23 9.172 -5.842 6.722 1.00 0.00 C ATOM 220 CE1 PHE A 23 10.587 -3.485 6.946 1.00 0.00 C ATOM 221 CE2 PHE A 23 8.706 -4.692 6.112 1.00 0.00 C ATOM 222 CZ PHE A 23 9.413 -3.516 6.224 1.00 0.00 C ATOM 0 H PHE A 23 12.369 -6.460 10.200 1.00 0.00 H new ATOM 0 HA PHE A 23 9.494 -6.998 9.729 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.977 -7.147 7.999 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.502 -7.979 7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 23 11.981 -4.600 8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.608 -6.758 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.140 -2.562 7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.786 -4.716 5.547 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.048 -2.619 5.747 1.00 0.00 H new ATOM 232 N LYS A 24 9.709 -9.584 9.678 1.00 0.00 N ATOM 233 CA LYS A 24 9.725 -11.027 9.943 1.00 0.00 C ATOM 234 C LYS A 24 10.916 -11.733 9.255 1.00 0.00 C ATOM 235 O LYS A 24 11.498 -12.668 9.817 1.00 0.00 O ATOM 236 CB LYS A 24 8.377 -11.661 9.497 1.00 0.00 C ATOM 237 CG LYS A 24 8.232 -13.168 9.831 1.00 0.00 C ATOM 238 CD LYS A 24 6.841 -13.748 9.477 1.00 0.00 C ATOM 239 CE LYS A 24 6.541 -13.739 7.973 1.00 0.00 C ATOM 240 NZ LYS A 24 5.178 -14.247 7.684 1.00 0.00 N ATOM 0 H LYS A 24 8.860 -9.265 9.211 1.00 0.00 H new ATOM 0 HA LYS A 24 9.851 -11.167 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.560 -11.117 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.266 -11.528 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.998 -13.727 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.419 -13.316 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.778 -14.772 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.074 -13.174 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.641 -12.724 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.276 -14.352 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.010 -14.226 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.091 -15.224 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.475 -13.647 8.162 1.00 0.00 H new ATOM 254 N SER A 25 11.285 -11.276 8.046 1.00 0.00 N ATOM 255 CA SER A 25 12.353 -11.912 7.239 1.00 0.00 C ATOM 256 C SER A 25 13.139 -10.859 6.431 1.00 0.00 C ATOM 257 O SER A 25 12.650 -9.753 6.173 1.00 0.00 O ATOM 258 CB SER A 25 11.746 -12.967 6.281 1.00 0.00 C ATOM 259 OG SER A 25 10.963 -13.924 6.987 1.00 0.00 O ATOM 0 H SER A 25 10.859 -10.464 7.600 1.00 0.00 H new ATOM 0 HA SER A 25 13.043 -12.405 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.127 -12.469 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.547 -13.475 5.744 1.00 0.00 H new ATOM 0 HG SER A 25 10.593 -14.575 6.354 1.00 0.00 H new ATOM 265 N SER A 26 14.386 -11.221 6.089 1.00 0.00 N ATOM 266 CA SER A 26 15.236 -10.448 5.162 1.00 0.00 C ATOM 267 C SER A 26 14.579 -10.293 3.763 1.00 0.00 C ATOM 268 O SER A 26 14.737 -9.259 3.109 1.00 0.00 O ATOM 269 CB SER A 26 16.618 -11.120 5.065 1.00 0.00 C ATOM 270 OG SER A 26 16.493 -12.487 4.723 1.00 0.00 O ATOM 0 H SER A 26 14.837 -12.062 6.448 1.00 0.00 H new ATOM 0 HA SER A 26 15.355 -9.439 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 26 17.224 -10.608 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 26 17.140 -11.026 6.017 1.00 0.00 H new ATOM 0 HG SER A 26 17.383 -12.893 4.665 1.00 0.00 H new ATOM 276 N HIS A 27 13.838 -11.334 3.327 1.00 0.00 N ATOM 277 CA HIS A 27 13.071 -11.312 2.056 1.00 0.00 C ATOM 278 C HIS A 27 11.810 -10.420 2.195 1.00 0.00 C ATOM 279 O HIS A 27 11.349 -9.819 1.219 1.00 0.00 O ATOM 280 CB HIS A 27 12.705 -12.747 1.593 1.00 0.00 C ATOM 281 CG HIS A 27 12.295 -12.851 0.141 1.00 0.00 C ATOM 282 ND1 HIS A 27 12.868 -12.093 -0.863 1.00 0.00 N ATOM 283 CD2 HIS A 27 11.379 -13.638 -0.475 1.00 0.00 C ATOM 284 CE1 HIS A 27 12.323 -12.407 -2.022 1.00 0.00 C ATOM 285 NE2 HIS A 27 11.417 -13.344 -1.814 1.00 0.00 N ATOM 0 H HIS A 27 13.753 -12.211 3.841 1.00 0.00 H new ATOM 0 HA HIS A 27 13.706 -10.877 1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.561 -13.400 1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.891 -13.120 2.215 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.737 -14.364 0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 27 12.575 -11.972 -2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.839 -13.779 -2.533 1.00 0.00 H new ATOM 294 N ASN A 28 11.235 -10.407 3.413 1.00 0.00 N ATOM 295 CA ASN A 28 10.069 -9.557 3.772 1.00 0.00 C ATOM 296 C ASN A 28 10.411 -8.051 3.646 1.00 0.00 C ATOM 297 O ASN A 28 9.663 -7.277 3.045 1.00 0.00 O ATOM 298 CB ASN A 28 9.622 -9.878 5.233 1.00 0.00 C ATOM 299 CG ASN A 28 8.308 -9.210 5.686 1.00 0.00 C ATOM 300 OD1 ASN A 28 8.126 -8.930 6.876 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.366 -8.984 4.769 1.00 0.00 N ATOM 0 H ASN A 28 11.564 -10.987 4.185 1.00 0.00 H new ATOM 0 HA ASN A 28 9.257 -9.777 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.513 -10.958 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.417 -9.574 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.474 -8.572 5.045 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.537 -9.223 3.792 1.00 0.00 H new ATOM 308 N LEU A 29 11.533 -7.647 4.273 1.00 0.00 N ATOM 309 CA LEU A 29 12.058 -6.263 4.194 1.00 0.00 C ATOM 310 C LEU A 29 12.458 -5.898 2.762 1.00 0.00 C ATOM 311 O LEU A 29 12.355 -4.733 2.363 1.00 0.00 O ATOM 312 CB LEU A 29 13.226 -6.087 5.221 1.00 0.00 C ATOM 313 CG LEU A 29 14.694 -6.475 4.813 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.421 -5.373 4.000 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.523 -6.864 6.052 1.00 0.00 C ATOM 0 H LEU A 29 12.103 -8.267 4.849 1.00 0.00 H new ATOM 0 HA LEU A 29 11.270 -5.560 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.239 -5.039 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.970 -6.669 6.106 1.00 0.00 H new ATOM 0 HG LEU A 29 14.604 -7.338 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.428 -5.708 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.869 -5.174 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.478 -4.461 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.535 -7.128 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.562 -6.022 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.059 -7.718 6.547 1.00 0.00 H new ATOM 327 N ALA A 30 12.941 -6.918 2.022 1.00 0.00 N ATOM 328 CA ALA A 30 13.326 -6.795 0.589 1.00 0.00 C ATOM 329 C ALA A 30 12.181 -6.209 -0.277 1.00 0.00 C ATOM 330 O ALA A 30 12.431 -5.566 -1.307 1.00 0.00 O ATOM 331 CB ALA A 30 13.802 -8.141 0.019 1.00 0.00 C ATOM 0 H ALA A 30 13.078 -7.856 2.398 1.00 0.00 H new ATOM 0 HA ALA A 30 14.158 -6.092 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.075 -8.016 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.669 -8.488 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.000 -8.874 0.100 1.00 0.00 H new ATOM 337 N VAL A 31 10.932 -6.434 0.171 1.00 0.00 N ATOM 338 CA VAL A 31 9.721 -5.903 -0.475 1.00 0.00 C ATOM 339 C VAL A 31 9.680 -4.351 -0.411 1.00 0.00 C ATOM 340 O VAL A 31 9.435 -3.695 -1.433 1.00 0.00 O ATOM 341 CB VAL A 31 8.433 -6.516 0.174 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.139 -5.941 -0.444 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.466 -8.057 0.069 1.00 0.00 C ATOM 0 H VAL A 31 10.735 -6.995 1.000 1.00 0.00 H new ATOM 0 HA VAL A 31 9.751 -6.193 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 31 8.426 -6.236 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.273 -6.395 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.113 -4.862 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.117 -6.160 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.566 -8.472 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.511 -8.349 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.344 -8.438 0.590 1.00 0.00 H new ATOM 353 N HIS A 32 9.931 -3.778 0.790 1.00 0.00 N ATOM 354 CA HIS A 32 10.009 -2.309 0.991 1.00 0.00 C ATOM 355 C HIS A 32 11.255 -1.779 0.265 1.00 0.00 C ATOM 356 O HIS A 32 11.254 -0.692 -0.322 1.00 0.00 O ATOM 357 CB HIS A 32 10.028 -1.951 2.541 1.00 0.00 C ATOM 358 CG HIS A 32 11.109 -0.968 2.971 1.00 0.00 C ATOM 359 ND1 HIS A 32 10.926 0.386 3.073 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.421 -1.189 3.240 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.103 0.944 3.379 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.059 0.038 3.492 1.00 0.00 N ATOM 0 H HIS A 32 10.084 -4.316 1.643 1.00 0.00 H new ATOM 0 HA HIS A 32 9.126 -1.828 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.056 -1.539 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.153 -2.873 3.108 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.045 0.883 2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.900 -2.157 3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.254 2.005 3.517 1.00 0.00 H new ATOM 370 N ARG A 33 12.317 -2.598 0.338 1.00 0.00 N ATOM 371 CA ARG A 33 13.645 -2.326 -0.213 1.00 0.00 C ATOM 372 C ARG A 33 13.631 -2.176 -1.762 1.00 0.00 C ATOM 373 O ARG A 33 14.638 -1.807 -2.327 1.00 0.00 O ATOM 374 CB ARG A 33 14.604 -3.462 0.261 1.00 0.00 C ATOM 375 CG ARG A 33 16.095 -3.243 -0.015 1.00 0.00 C ATOM 376 CD ARG A 33 16.994 -4.404 0.450 1.00 0.00 C ATOM 377 NE ARG A 33 18.401 -4.188 0.062 1.00 0.00 N ATOM 378 CZ ARG A 33 19.241 -3.297 0.619 1.00 0.00 C ATOM 379 NH1 ARG A 33 18.842 -2.474 1.592 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.487 -3.230 0.188 1.00 0.00 N ATOM 0 H ARG A 33 12.266 -3.504 0.803 1.00 0.00 H new ATOM 0 HA ARG A 33 14.000 -1.364 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.470 -3.599 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.299 -4.392 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.238 -3.092 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.415 -2.327 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.926 -4.507 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.636 -5.338 0.018 1.00 0.00 H new ATOM 0 HE ARG A 33 18.769 -4.765 -0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.880 -2.512 1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.499 -1.807 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.802 -3.849 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.134 -2.559 0.602 1.00 0.00 H new ATOM 394 N MET A 34 12.446 -2.380 -2.413 1.00 0.00 N ATOM 395 CA MET A 34 12.225 -2.244 -3.900 1.00 0.00 C ATOM 396 C MET A 34 12.854 -0.967 -4.563 1.00 0.00 C ATOM 397 O MET A 34 12.979 -0.899 -5.793 1.00 0.00 O ATOM 398 CB MET A 34 10.699 -2.241 -4.193 1.00 0.00 C ATOM 399 CG MET A 34 9.961 -0.972 -3.728 1.00 0.00 C ATOM 400 SD MET A 34 8.251 -0.903 -4.300 1.00 0.00 S ATOM 401 CE MET A 34 7.819 0.784 -3.876 1.00 0.00 C ATOM 0 H MET A 34 11.597 -2.649 -1.915 1.00 0.00 H new ATOM 0 HA MET A 34 12.738 -3.099 -4.341 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.548 -2.361 -5.266 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.247 -3.107 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 34 9.976 -0.928 -2.639 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.495 -0.094 -4.090 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.787 0.980 -4.169 1.00 0.00 H new ATOM 0 HE2 MET A 34 7.925 0.927 -2.801 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.482 1.472 -4.401 1.00 0.00 H new ATOM 411 N ILE A 35 13.213 0.011 -3.725 1.00 0.00 N ATOM 412 CA ILE A 35 13.869 1.254 -4.111 1.00 0.00 C ATOM 413 C ILE A 35 15.423 1.042 -4.183 1.00 0.00 C ATOM 414 O ILE A 35 16.057 1.373 -5.192 1.00 0.00 O ATOM 415 CB ILE A 35 13.427 2.412 -3.114 1.00 0.00 C ATOM 416 CG1 ILE A 35 14.274 3.695 -3.315 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.427 1.956 -1.632 1.00 0.00 C ATOM 418 CD1 ILE A 35 14.122 4.377 -4.673 1.00 0.00 C ATOM 0 H ILE A 35 13.046 -0.049 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 35 13.560 1.561 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 35 12.394 2.656 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.008 4.410 -2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 35 15.324 3.442 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.118 2.785 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.733 1.125 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.430 1.637 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.756 5.263 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.419 3.686 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.082 4.670 -4.819 1.00 0.00 H new ATOM 430 N HIS A 36 16.018 0.478 -3.102 1.00 0.00 N ATOM 431 CA HIS A 36 17.498 0.224 -2.959 1.00 0.00 C ATOM 432 C HIS A 36 17.880 -1.282 -3.141 1.00 0.00 C ATOM 433 O HIS A 36 19.015 -1.670 -2.841 1.00 0.00 O ATOM 434 CB HIS A 36 18.061 0.800 -1.598 1.00 0.00 C ATOM 435 CG HIS A 36 17.059 1.074 -0.496 1.00 0.00 C ATOM 436 ND1 HIS A 36 16.418 0.243 0.373 1.00 0.00 N flip ATOM 437 CD2 HIS A 36 16.672 2.340 -0.147 1.00 0.00 C flip ATOM 438 CE1 HIS A 36 15.654 0.998 1.265 1.00 0.00 C flip ATOM 439 NE2 HIS A 36 15.853 2.249 0.899 1.00 0.00 N flip ATOM 0 H HIS A 36 15.486 0.178 -2.285 1.00 0.00 H new ATOM 0 HA HIS A 36 17.977 0.765 -3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.802 0.098 -1.215 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.586 1.730 -1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.978 3.254 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.037 0.637 2.075 1.00 0.00 H new ATOM 0 HE2 HIS A 36 15.429 3.053 1.363 1.00 0.00 H new ATOM 447 N THR A 37 16.934 -2.108 -3.630 1.00 0.00 N ATOM 448 CA THR A 37 16.955 -3.592 -3.505 1.00 0.00 C ATOM 449 C THR A 37 18.204 -4.291 -4.101 1.00 0.00 C ATOM 450 O THR A 37 18.890 -5.027 -3.384 1.00 0.00 O ATOM 451 CB THR A 37 15.627 -4.197 -4.094 1.00 0.00 C ATOM 452 OG1 THR A 37 15.626 -5.625 -4.022 1.00 0.00 O ATOM 453 CG2 THR A 37 15.366 -3.743 -5.536 1.00 0.00 C ATOM 0 H THR A 37 16.116 -1.763 -4.133 1.00 0.00 H new ATOM 0 HA THR A 37 17.021 -3.796 -2.436 1.00 0.00 H new ATOM 0 HB THR A 37 14.817 -3.814 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.153 -5.914 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.438 -4.188 -5.895 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.283 -2.657 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.192 -4.061 -6.173 1.00 0.00 H new ATOM 461 N GLY A 38 18.504 -4.047 -5.387 1.00 0.00 N ATOM 462 CA GLY A 38 19.563 -4.796 -6.086 1.00 0.00 C ATOM 463 C GLY A 38 19.196 -6.271 -6.272 1.00 0.00 C ATOM 464 O GLY A 38 20.054 -7.155 -6.204 1.00 0.00 O ATOM 0 H GLY A 38 18.035 -3.345 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.745 -4.342 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.492 -4.722 -5.521 1.00 0.00 H new ATOM 468 N GLU A 39 17.897 -6.501 -6.528 1.00 0.00 N ATOM 469 CA GLU A 39 17.239 -7.837 -6.512 1.00 0.00 C ATOM 470 C GLU A 39 15.961 -7.715 -7.352 1.00 0.00 C ATOM 471 O GLU A 39 15.772 -8.425 -8.345 1.00 0.00 O ATOM 472 CB GLU A 39 16.817 -8.315 -5.079 1.00 0.00 C ATOM 473 CG GLU A 39 17.928 -8.404 -4.029 1.00 0.00 C ATOM 474 CD GLU A 39 17.370 -8.610 -2.616 1.00 0.00 C ATOM 475 OE1 GLU A 39 16.973 -7.609 -1.972 1.00 0.00 O ATOM 476 OE2 GLU A 39 17.308 -9.770 -2.147 1.00 0.00 O ATOM 0 H GLU A 39 17.250 -5.747 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 39 17.954 -8.564 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.050 -7.636 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.356 -9.298 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 39 18.597 -9.228 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.524 -7.492 -4.054 1.00 0.00 H new ATOM 483 N LYS A 40 15.109 -6.770 -6.894 1.00 0.00 N ATOM 484 CA LYS A 40 13.802 -6.411 -7.464 1.00 0.00 C ATOM 485 C LYS A 40 12.724 -7.453 -7.106 1.00 0.00 C ATOM 486 O LYS A 40 12.647 -8.510 -7.745 1.00 0.00 O ATOM 487 CB LYS A 40 13.842 -6.105 -8.991 1.00 0.00 C ATOM 488 CG LYS A 40 14.768 -4.929 -9.380 1.00 0.00 C ATOM 489 CD LYS A 40 14.610 -4.510 -10.862 1.00 0.00 C ATOM 490 CE LYS A 40 14.900 -5.649 -11.853 1.00 0.00 C ATOM 491 NZ LYS A 40 16.290 -6.145 -11.730 1.00 0.00 N ATOM 0 H LYS A 40 15.333 -6.210 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 40 13.522 -5.468 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.169 -7.000 -9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.831 -5.884 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.551 -4.074 -8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.804 -5.211 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.595 -4.148 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.282 -3.677 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.204 -6.470 -11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.728 -5.298 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.462 -6.877 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.954 -5.357 -11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.432 -6.550 -10.783 1.00 0.00 H new ATOM 505 N PRO A 41 11.894 -7.186 -6.030 1.00 0.00 N ATOM 506 CA PRO A 41 10.630 -7.925 -5.796 1.00 0.00 C ATOM 507 C PRO A 41 9.573 -7.568 -6.872 1.00 0.00 C ATOM 508 O PRO A 41 9.768 -6.633 -7.664 1.00 0.00 O ATOM 509 CB PRO A 41 10.198 -7.469 -4.378 1.00 0.00 C ATOM 510 CG PRO A 41 10.817 -6.113 -4.221 1.00 0.00 C ATOM 511 CD PRO A 41 12.143 -6.177 -4.950 1.00 0.00 C ATOM 0 HA PRO A 41 10.744 -9.007 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.113 -7.424 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.553 -8.159 -3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.176 -5.339 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.961 -5.868 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.423 -5.207 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.951 -6.487 -4.288 1.00 0.00 H new ATOM 519 N LEU A 42 8.446 -8.284 -6.872 1.00 0.00 N ATOM 520 CA LEU A 42 7.456 -8.210 -7.950 1.00 0.00 C ATOM 521 C LEU A 42 6.452 -7.113 -7.636 1.00 0.00 C ATOM 522 O LEU A 42 6.015 -6.985 -6.494 1.00 0.00 O ATOM 523 CB LEU A 42 6.759 -9.574 -8.083 1.00 0.00 C ATOM 524 CG LEU A 42 7.690 -10.740 -8.542 1.00 0.00 C ATOM 525 CD1 LEU A 42 6.947 -12.079 -8.512 1.00 0.00 C ATOM 526 CD2 LEU A 42 8.277 -10.458 -9.946 1.00 0.00 C ATOM 0 H LEU A 42 8.194 -8.931 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 42 7.941 -7.971 -8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.318 -9.837 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.939 -9.480 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 42 8.521 -10.805 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.618 -12.875 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.606 -12.283 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.088 -12.034 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.922 -11.285 -10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.465 -10.354 -10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.858 -9.536 -9.919 1.00 0.00 H new ATOM 538 N GLN A 43 6.077 -6.335 -8.655 1.00 0.00 N ATOM 539 CA GLN A 43 5.266 -5.134 -8.466 1.00 0.00 C ATOM 540 C GLN A 43 4.213 -5.023 -9.577 1.00 0.00 C ATOM 541 O GLN A 43 4.508 -5.277 -10.749 1.00 0.00 O ATOM 542 CB GLN A 43 6.189 -3.887 -8.430 1.00 0.00 C ATOM 543 CG GLN A 43 5.484 -2.544 -8.136 1.00 0.00 C ATOM 544 CD GLN A 43 6.462 -1.380 -7.922 1.00 0.00 C ATOM 545 OE1 GLN A 43 7.584 -1.571 -7.443 1.00 0.00 O ATOM 546 NE2 GLN A 43 6.045 -0.178 -8.279 1.00 0.00 N ATOM 0 H GLN A 43 6.326 -6.520 -9.627 1.00 0.00 H new ATOM 0 HA GLN A 43 4.735 -5.196 -7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.957 -4.047 -7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.699 -3.807 -9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.818 -2.302 -8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.862 -2.655 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.111 -0.058 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.657 0.630 -8.162 1.00 0.00 H new ATOM 555 N CYS A 44 2.979 -4.665 -9.183 1.00 0.00 N ATOM 556 CA CYS A 44 1.865 -4.422 -10.105 1.00 0.00 C ATOM 557 C CYS A 44 2.118 -3.130 -10.878 1.00 0.00 C ATOM 558 O CYS A 44 1.990 -2.036 -10.324 1.00 0.00 O ATOM 559 CB CYS A 44 0.521 -4.328 -9.343 1.00 0.00 C ATOM 560 SG CYS A 44 -0.857 -3.570 -10.284 1.00 0.00 S ATOM 0 H CYS A 44 2.728 -4.536 -8.203 1.00 0.00 H new ATOM 0 HA CYS A 44 1.800 -5.260 -10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.223 -5.331 -9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.678 -3.751 -8.431 1.00 0.00 H new ATOM 0 HG CYS A 44 -1.365 -2.591 -9.596 1.00 0.00 H new ATOM 565 N GLU A 45 2.470 -3.274 -12.160 1.00 0.00 N ATOM 566 CA GLU A 45 2.791 -2.142 -13.059 1.00 0.00 C ATOM 567 C GLU A 45 1.524 -1.450 -13.623 1.00 0.00 C ATOM 568 O GLU A 45 1.610 -0.667 -14.575 1.00 0.00 O ATOM 569 CB GLU A 45 3.694 -2.675 -14.205 1.00 0.00 C ATOM 570 CG GLU A 45 4.975 -3.392 -13.720 1.00 0.00 C ATOM 571 CD GLU A 45 5.793 -4.027 -14.862 1.00 0.00 C ATOM 572 OE1 GLU A 45 5.405 -5.113 -15.351 1.00 0.00 O ATOM 573 OE2 GLU A 45 6.829 -3.453 -15.271 1.00 0.00 O ATOM 0 H GLU A 45 2.543 -4.184 -12.614 1.00 0.00 H new ATOM 0 HA GLU A 45 3.315 -1.377 -12.487 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.115 -3.365 -14.818 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.978 -1.841 -14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.603 -2.677 -13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.699 -4.168 -13.006 1.00 0.00 H new ATOM 580 N ILE A 46 0.360 -1.707 -12.987 1.00 0.00 N ATOM 581 CA ILE A 46 -0.935 -1.142 -13.383 1.00 0.00 C ATOM 582 C ILE A 46 -1.147 0.112 -12.536 1.00 0.00 C ATOM 583 O ILE A 46 -1.367 1.211 -13.051 1.00 0.00 O ATOM 584 CB ILE A 46 -2.128 -2.156 -13.131 1.00 0.00 C ATOM 585 CG1 ILE A 46 -2.017 -3.439 -14.035 1.00 0.00 C ATOM 586 CG2 ILE A 46 -3.505 -1.452 -13.284 1.00 0.00 C ATOM 587 CD1 ILE A 46 -0.975 -4.466 -13.600 1.00 0.00 C ATOM 0 H ILE A 46 0.300 -2.321 -12.175 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.926 -0.921 -14.450 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.050 -2.499 -12.099 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.991 -3.927 -14.063 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.788 -3.125 -15.053 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.304 -2.172 -13.106 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.581 -0.640 -12.561 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.598 -1.050 -14.293 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.983 -5.308 -14.292 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.013 -4.005 -13.601 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.209 -4.819 -12.596 1.00 0.00 H new ATOM 599 N CYS A 47 -1.083 -0.097 -11.211 1.00 0.00 N ATOM 600 CA CYS A 47 -1.103 0.968 -10.230 1.00 0.00 C ATOM 601 C CYS A 47 0.266 0.873 -9.543 1.00 0.00 C ATOM 602 O CYS A 47 1.289 1.199 -10.163 1.00 0.00 O ATOM 603 CB CYS A 47 -2.337 0.804 -9.282 1.00 0.00 C ATOM 604 SG CYS A 47 -2.313 -0.648 -8.150 1.00 0.00 S ATOM 0 H CYS A 47 -1.015 -1.028 -10.799 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.233 1.967 -10.646 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.426 1.707 -8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.235 0.743 -9.897 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.034 -1.604 -8.655 1.00 0.00 H new ATOM 609 N GLY A 48 0.306 0.420 -8.296 1.00 0.00 N ATOM 610 CA GLY A 48 1.486 -0.198 -7.700 1.00 0.00 C ATOM 611 C GLY A 48 1.029 -1.229 -6.674 1.00 0.00 C ATOM 612 O GLY A 48 -0.110 -1.112 -6.195 1.00 0.00 O ATOM 0 H GLY A 48 -0.491 0.472 -7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.093 -0.674 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.110 0.559 -7.224 1.00 0.00 H new ATOM 616 N PHE A 49 1.871 -2.212 -6.280 1.00 0.00 N ATOM 617 CA PHE A 49 1.518 -3.254 -5.307 1.00 0.00 C ATOM 618 C PHE A 49 2.726 -4.160 -5.341 1.00 0.00 C ATOM 619 O PHE A 49 2.920 -4.856 -6.335 1.00 0.00 O ATOM 620 CB PHE A 49 0.226 -4.039 -5.713 1.00 0.00 C ATOM 621 CG PHE A 49 -0.166 -5.229 -4.817 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.506 -6.450 -4.921 1.00 0.00 C ATOM 623 CD2 PHE A 49 -1.205 -5.136 -3.895 1.00 0.00 C ATOM 624 CE1 PHE A 49 0.155 -7.527 -4.133 1.00 0.00 C ATOM 625 CE2 PHE A 49 -1.558 -6.220 -3.110 1.00 0.00 C ATOM 626 CZ PHE A 49 -0.876 -7.411 -3.229 1.00 0.00 C ATOM 0 H PHE A 49 2.823 -2.299 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 49 1.294 -2.845 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.608 -3.337 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.356 -4.407 -6.731 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.314 -6.552 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.743 -4.205 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.689 -8.461 -4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.370 -6.132 -2.403 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.151 -8.254 -2.612 1.00 0.00 H new ATOM 636 N THR A 50 3.511 -4.205 -4.279 1.00 0.00 N ATOM 637 CA THR A 50 4.784 -4.912 -4.310 1.00 0.00 C ATOM 638 C THR A 50 4.757 -6.016 -3.259 1.00 0.00 C ATOM 639 O THR A 50 4.305 -5.804 -2.123 1.00 0.00 O ATOM 640 CB THR A 50 5.996 -3.965 -4.057 1.00 0.00 C ATOM 641 OG1 THR A 50 5.824 -2.741 -4.799 1.00 0.00 O ATOM 642 CG2 THR A 50 7.352 -4.610 -4.438 1.00 0.00 C ATOM 0 H THR A 50 3.293 -3.763 -3.386 1.00 0.00 H new ATOM 0 HA THR A 50 4.914 -5.333 -5.307 1.00 0.00 H new ATOM 0 HB THR A 50 6.021 -3.762 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.687 -2.285 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.159 -3.904 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.505 -5.512 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.347 -4.868 -5.497 1.00 0.00 H new ATOM 650 N CYS A 51 5.225 -7.181 -3.664 1.00 0.00 N ATOM 651 CA CYS A 51 5.320 -8.357 -2.807 1.00 0.00 C ATOM 652 C CYS A 51 6.368 -9.332 -3.341 1.00 0.00 C ATOM 653 O CYS A 51 6.734 -9.303 -4.523 1.00 0.00 O ATOM 654 CB CYS A 51 3.950 -9.051 -2.675 1.00 0.00 C ATOM 655 SG CYS A 51 3.941 -10.425 -1.498 1.00 0.00 S ATOM 0 H CYS A 51 5.557 -7.344 -4.615 1.00 0.00 H new ATOM 0 HA CYS A 51 5.632 -8.029 -1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.208 -8.315 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.644 -9.421 -3.654 1.00 0.00 H new ATOM 0 HG CYS A 51 2.944 -10.286 -0.676 1.00 0.00 H new ATOM 661 N ARG A 52 6.854 -10.176 -2.430 1.00 0.00 N ATOM 662 CA ARG A 52 7.809 -11.253 -2.719 1.00 0.00 C ATOM 663 C ARG A 52 7.114 -12.476 -3.354 1.00 0.00 C ATOM 664 O ARG A 52 7.755 -13.287 -4.019 1.00 0.00 O ATOM 665 CB ARG A 52 8.578 -11.641 -1.409 1.00 0.00 C ATOM 666 CG ARG A 52 7.767 -11.582 -0.081 1.00 0.00 C ATOM 667 CD ARG A 52 6.630 -12.609 0.027 1.00 0.00 C ATOM 668 NE ARG A 52 5.690 -12.285 1.114 1.00 0.00 N ATOM 669 CZ ARG A 52 4.639 -13.026 1.475 1.00 0.00 C ATOM 670 NH1 ARG A 52 4.435 -14.224 0.942 1.00 0.00 N ATOM 671 NH2 ARG A 52 3.808 -12.571 2.397 1.00 0.00 N ATOM 0 H ARG A 52 6.590 -10.131 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 52 8.530 -10.891 -3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.964 -12.653 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.440 -10.981 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.452 -11.731 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.346 -10.582 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.089 -12.651 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.052 -13.600 0.197 1.00 0.00 H new ATOM 0 HE ARG A 52 5.855 -11.423 1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.085 -14.590 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.628 -14.779 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.972 -11.661 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.003 -13.130 2.679 1.00 0.00 H new ATOM 685 N GLN A 53 5.799 -12.589 -3.139 1.00 0.00 N ATOM 686 CA GLN A 53 5.005 -13.742 -3.575 1.00 0.00 C ATOM 687 C GLN A 53 4.305 -13.371 -4.889 1.00 0.00 C ATOM 688 O GLN A 53 3.509 -12.426 -4.922 1.00 0.00 O ATOM 689 CB GLN A 53 3.965 -14.110 -2.476 1.00 0.00 C ATOM 690 CG GLN A 53 3.165 -15.406 -2.719 1.00 0.00 C ATOM 691 CD GLN A 53 3.952 -16.709 -2.485 1.00 0.00 C ATOM 692 OE1 GLN A 53 5.172 -16.767 -2.631 1.00 0.00 O ATOM 693 NE2 GLN A 53 3.239 -17.775 -2.123 1.00 0.00 N ATOM 0 H GLN A 53 5.252 -11.878 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 53 5.644 -14.610 -3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.487 -14.200 -1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.261 -13.284 -2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.292 -15.404 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.796 -15.401 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.228 -17.698 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.704 -18.668 -1.960 1.00 0.00 H new ATOM 702 N LYS A 54 4.663 -14.078 -5.977 1.00 0.00 N ATOM 703 CA LYS A 54 4.030 -13.896 -7.304 1.00 0.00 C ATOM 704 C LYS A 54 2.501 -14.063 -7.259 1.00 0.00 C ATOM 705 O LYS A 54 1.792 -13.377 -7.988 1.00 0.00 O ATOM 706 CB LYS A 54 4.666 -14.847 -8.351 1.00 0.00 C ATOM 707 CG LYS A 54 4.552 -16.350 -8.049 1.00 0.00 C ATOM 708 CD LYS A 54 5.315 -17.252 -9.058 1.00 0.00 C ATOM 709 CE LYS A 54 6.860 -17.169 -8.939 1.00 0.00 C ATOM 710 NZ LYS A 54 7.422 -15.867 -9.392 1.00 0.00 N ATOM 0 H LYS A 54 5.395 -14.789 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 54 4.220 -12.867 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.202 -14.654 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.722 -14.595 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.934 -16.539 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.499 -16.632 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.005 -18.287 -8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.024 -16.973 -10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.146 -17.337 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.305 -17.972 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.344 -16.026 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.772 -15.427 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.543 -15.237 -8.573 1.00 0.00 H new ATOM 724 N ALA A 55 2.033 -14.971 -6.384 1.00 0.00 N ATOM 725 CA ALA A 55 0.592 -15.206 -6.138 1.00 0.00 C ATOM 726 C ALA A 55 -0.147 -13.900 -5.744 1.00 0.00 C ATOM 727 O ALA A 55 -1.248 -13.637 -6.238 1.00 0.00 O ATOM 728 CB ALA A 55 0.387 -16.284 -5.059 1.00 0.00 C ATOM 0 H ALA A 55 2.643 -15.566 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 55 0.161 -15.562 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.680 -16.438 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.843 -17.218 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.853 -15.960 -4.128 1.00 0.00 H new ATOM 734 N SER A 56 0.493 -13.074 -4.891 1.00 0.00 N ATOM 735 CA SER A 56 -0.128 -11.855 -4.319 1.00 0.00 C ATOM 736 C SER A 56 -0.614 -10.875 -5.418 1.00 0.00 C ATOM 737 O SER A 56 -1.807 -10.533 -5.473 1.00 0.00 O ATOM 738 CB SER A 56 0.873 -11.156 -3.370 1.00 0.00 C ATOM 739 OG SER A 56 1.308 -12.046 -2.362 1.00 0.00 O ATOM 0 H SER A 56 1.451 -13.230 -4.578 1.00 0.00 H new ATOM 0 HA SER A 56 -1.009 -12.162 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.730 -10.795 -3.939 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.403 -10.284 -2.915 1.00 0.00 H new ATOM 0 HG SER A 56 2.101 -11.677 -1.920 1.00 0.00 H new ATOM 745 N LEU A 57 0.309 -10.457 -6.311 1.00 0.00 N ATOM 746 CA LEU A 57 -0.011 -9.564 -7.440 1.00 0.00 C ATOM 747 C LEU A 57 -0.733 -10.313 -8.583 1.00 0.00 C ATOM 748 O LEU A 57 -1.452 -9.686 -9.362 1.00 0.00 O ATOM 749 CB LEU A 57 1.231 -8.780 -7.976 1.00 0.00 C ATOM 750 CG LEU A 57 2.385 -9.589 -8.668 1.00 0.00 C ATOM 751 CD1 LEU A 57 3.256 -8.658 -9.551 1.00 0.00 C ATOM 752 CD2 LEU A 57 3.260 -10.334 -7.634 1.00 0.00 C ATOM 0 H LEU A 57 1.291 -10.729 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.699 -8.820 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.872 -8.038 -8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.665 -8.234 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 57 1.920 -10.339 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.049 -9.240 -10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.635 -8.202 -10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.697 -7.877 -8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.047 -10.882 -8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.709 -9.613 -6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.642 -11.033 -7.070 1.00 0.00 H new ATOM 764 N ASN A 58 -0.481 -11.639 -8.713 1.00 0.00 N ATOM 765 CA ASN A 58 -1.203 -12.531 -9.680 1.00 0.00 C ATOM 766 C ASN A 58 -2.731 -12.395 -9.581 1.00 0.00 C ATOM 767 O ASN A 58 -3.413 -12.290 -10.607 1.00 0.00 O ATOM 768 CB ASN A 58 -0.808 -14.022 -9.467 1.00 0.00 C ATOM 769 CG ASN A 58 -1.521 -15.024 -10.394 1.00 0.00 C ATOM 770 OD1 ASN A 58 -1.025 -15.342 -11.472 1.00 0.00 O ATOM 771 ND2 ASN A 58 -2.680 -15.536 -9.972 1.00 0.00 N ATOM 0 H ASN A 58 0.222 -12.127 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.898 -12.208 -10.675 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.268 -14.121 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.019 -14.294 -8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.180 -16.212 -10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.066 -15.251 -9.072 1.00 0.00 H new ATOM 778 N TRP A 59 -3.269 -12.417 -8.359 1.00 0.00 N ATOM 779 CA TRP A 59 -4.722 -12.278 -8.135 1.00 0.00 C ATOM 780 C TRP A 59 -5.110 -10.787 -8.189 1.00 0.00 C ATOM 781 O TRP A 59 -6.115 -10.433 -8.804 1.00 0.00 O ATOM 782 CB TRP A 59 -5.138 -12.917 -6.784 1.00 0.00 C ATOM 783 CG TRP A 59 -4.828 -14.403 -6.678 1.00 0.00 C ATOM 784 CD1 TRP A 59 -3.827 -14.989 -5.949 1.00 0.00 C ATOM 785 CD2 TRP A 59 -5.531 -15.486 -7.313 1.00 0.00 C ATOM 786 NE1 TRP A 59 -3.855 -16.349 -6.104 1.00 0.00 N ATOM 787 CE2 TRP A 59 -4.895 -16.682 -6.929 1.00 0.00 C ATOM 788 CE3 TRP A 59 -6.631 -15.570 -8.169 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -5.325 -17.933 -7.361 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -7.058 -16.816 -8.601 1.00 0.00 C ATOM 791 CH2 TRP A 59 -6.407 -17.983 -8.192 1.00 0.00 C ATOM 0 H TRP A 59 -2.724 -12.530 -7.504 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.256 -12.809 -8.923 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.630 -12.392 -5.975 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.208 -12.769 -6.638 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.116 -14.453 -5.338 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.206 -17.008 -5.674 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.143 -14.675 -8.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.819 -18.835 -7.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -7.907 -16.886 -9.264 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -6.766 -18.941 -8.539 1.00 0.00 H new ATOM 802 N HIS A 60 -4.311 -9.943 -7.492 1.00 0.00 N ATOM 803 CA HIS A 60 -4.471 -8.459 -7.484 1.00 0.00 C ATOM 804 C HIS A 60 -4.700 -7.804 -8.884 1.00 0.00 C ATOM 805 O HIS A 60 -5.519 -6.879 -8.993 1.00 0.00 O ATOM 806 CB HIS A 60 -3.263 -7.802 -6.778 1.00 0.00 C ATOM 807 CG HIS A 60 -3.242 -6.304 -6.851 1.00 0.00 C ATOM 808 ND1 HIS A 60 -4.130 -5.476 -6.207 1.00 0.00 N ATOM 809 CD2 HIS A 60 -2.471 -5.504 -7.605 1.00 0.00 C ATOM 810 CE1 HIS A 60 -3.873 -4.221 -6.598 1.00 0.00 C ATOM 811 NE2 HIS A 60 -2.864 -4.181 -7.458 1.00 0.00 N ATOM 0 H HIS A 60 -3.534 -10.268 -6.917 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.392 -8.273 -6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.263 -8.103 -5.730 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.345 -8.188 -7.221 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.661 -5.841 -8.235 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.418 -3.353 -6.257 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.465 -3.359 -7.911 1.00 0.00 H new ATOM 819 N MET A 61 -3.956 -8.224 -9.922 1.00 0.00 N ATOM 820 CA MET A 61 -4.186 -7.727 -11.308 1.00 0.00 C ATOM 821 C MET A 61 -5.586 -8.121 -11.824 1.00 0.00 C ATOM 822 O MET A 61 -6.243 -7.336 -12.498 1.00 0.00 O ATOM 823 CB MET A 61 -3.082 -8.218 -12.284 1.00 0.00 C ATOM 824 CG MET A 61 -2.940 -9.738 -12.420 1.00 0.00 C ATOM 825 SD MET A 61 -1.780 -10.223 -13.722 1.00 0.00 S ATOM 826 CE MET A 61 -2.624 -9.637 -15.194 1.00 0.00 C ATOM 0 H MET A 61 -3.196 -8.899 -9.839 1.00 0.00 H new ATOM 0 HA MET A 61 -4.135 -6.639 -11.269 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.284 -7.801 -13.271 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.126 -7.811 -11.956 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.606 -10.153 -11.469 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.917 -10.172 -12.631 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.233 -10.157 -16.069 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.692 -9.832 -15.103 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.459 -8.565 -15.305 1.00 0.00 H new ATOM 836 N LYS A 62 -6.024 -9.345 -11.511 1.00 0.00 N ATOM 837 CA LYS A 62 -7.387 -9.822 -11.849 1.00 0.00 C ATOM 838 C LYS A 62 -8.476 -9.081 -11.020 1.00 0.00 C ATOM 839 O LYS A 62 -9.637 -9.013 -11.428 1.00 0.00 O ATOM 840 CB LYS A 62 -7.493 -11.360 -11.687 1.00 0.00 C ATOM 841 CG LYS A 62 -8.766 -11.978 -12.317 1.00 0.00 C ATOM 842 CD LYS A 62 -8.816 -13.519 -12.239 1.00 0.00 C ATOM 843 CE LYS A 62 -8.858 -14.053 -10.797 1.00 0.00 C ATOM 844 NZ LYS A 62 -9.023 -15.527 -10.767 1.00 0.00 N ATOM 0 H LYS A 62 -5.456 -10.035 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.570 -9.586 -12.897 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.616 -11.823 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.471 -11.605 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.643 -11.570 -11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.827 -11.674 -13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.695 -13.875 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.943 -13.930 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.939 -13.778 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.680 -13.583 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.703 -15.785 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.376 -15.856 -11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.106 -15.975 -10.568 1.00 0.00 H new ATOM 858 N LYS A 63 -8.091 -8.562 -9.837 1.00 0.00 N ATOM 859 CA LYS A 63 -8.974 -7.680 -9.025 1.00 0.00 C ATOM 860 C LYS A 63 -9.289 -6.371 -9.787 1.00 0.00 C ATOM 861 O LYS A 63 -10.372 -5.810 -9.625 1.00 0.00 O ATOM 862 CB LYS A 63 -8.370 -7.355 -7.629 1.00 0.00 C ATOM 863 CG LYS A 63 -7.960 -8.587 -6.789 1.00 0.00 C ATOM 864 CD LYS A 63 -9.097 -9.599 -6.579 1.00 0.00 C ATOM 865 CE LYS A 63 -8.663 -10.801 -5.726 1.00 0.00 C ATOM 866 NZ LYS A 63 -9.793 -11.722 -5.459 1.00 0.00 N ATOM 0 H LYS A 63 -7.177 -8.734 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.900 -8.231 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.494 -6.721 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.097 -6.774 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.126 -9.088 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.602 -8.249 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.939 -9.101 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.448 -9.953 -7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.867 -11.341 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.252 -10.447 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.461 -12.520 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.543 -11.213 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.169 -12.080 -6.360 1.00 0.00 H new ATOM 880 N HIS A 64 -8.336 -5.924 -10.651 1.00 0.00 N ATOM 881 CA HIS A 64 -8.483 -4.705 -11.502 1.00 0.00 C ATOM 882 C HIS A 64 -9.516 -4.909 -12.640 1.00 0.00 C ATOM 883 O HIS A 64 -9.836 -3.944 -13.350 1.00 0.00 O ATOM 884 CB HIS A 64 -7.126 -4.286 -12.147 1.00 0.00 C ATOM 885 CG HIS A 64 -6.175 -3.551 -11.264 1.00 0.00 C ATOM 886 ND1 HIS A 64 -6.389 -2.260 -10.853 1.00 0.00 N ATOM 887 CD2 HIS A 64 -4.933 -3.885 -10.832 1.00 0.00 C ATOM 888 CE1 HIS A 64 -5.293 -1.850 -10.216 1.00 0.00 C ATOM 889 NE2 HIS A 64 -4.377 -2.799 -10.175 1.00 0.00 N ATOM 0 H HIS A 64 -7.442 -6.398 -10.778 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.833 -3.919 -10.833 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.629 -5.184 -12.513 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.338 -3.663 -13.016 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.235 -1.712 -11.007 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.455 -4.843 -10.977 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.170 -0.866 -9.788 1.00 0.00 H new ATOM 1020 N SER A 73 -15.021 -3.660 1.385 1.00 0.00 N ATOM 1021 CA SER A 73 -14.262 -3.946 2.614 1.00 0.00 C ATOM 1022 C SER A 73 -15.218 -4.368 3.730 1.00 0.00 C ATOM 1023 O SER A 73 -16.434 -4.222 3.609 1.00 0.00 O ATOM 1024 CB SER A 73 -13.467 -2.697 3.084 1.00 0.00 C ATOM 1025 OG SER A 73 -12.514 -2.285 2.132 1.00 0.00 O ATOM 0 HA SER A 73 -13.561 -4.751 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.160 -1.879 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.965 -2.921 4.025 1.00 0.00 H new ATOM 0 HG SER A 73 -12.038 -1.496 2.466 1.00 0.00 H new ATOM 1031 N CYS A 74 -14.643 -4.906 4.806 1.00 0.00 N ATOM 1032 CA CYS A 74 -15.329 -5.023 6.091 1.00 0.00 C ATOM 1033 C CYS A 74 -14.904 -3.824 6.946 1.00 0.00 C ATOM 1034 O CYS A 74 -13.710 -3.603 7.145 1.00 0.00 O ATOM 1035 CB CYS A 74 -14.993 -6.330 6.822 1.00 0.00 C ATOM 1036 SG CYS A 74 -15.709 -6.409 8.498 1.00 0.00 S ATOM 0 H CYS A 74 -13.691 -5.272 4.811 1.00 0.00 H new ATOM 0 HA CYS A 74 -16.405 -5.035 5.918 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.359 -7.173 6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.910 -6.435 6.889 1.00 0.00 H new ATOM 0 HG CYS A 74 -16.012 -7.641 8.783 1.00 0.00 H new ATOM 1041 N ASN A 75 -15.885 -3.055 7.420 1.00 0.00 N ATOM 1042 CA ASN A 75 -15.658 -1.858 8.262 1.00 0.00 C ATOM 1043 C ASN A 75 -14.976 -2.179 9.616 1.00 0.00 C ATOM 1044 O ASN A 75 -14.407 -1.282 10.242 1.00 0.00 O ATOM 1045 CB ASN A 75 -17.006 -1.103 8.501 1.00 0.00 C ATOM 1046 CG ASN A 75 -18.189 -2.001 8.913 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -18.022 -3.153 9.324 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -19.396 -1.461 8.824 1.00 0.00 N ATOM 0 H ASN A 75 -16.871 -3.239 7.234 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.967 -1.219 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.852 -0.352 9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.274 -0.570 7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -20.217 -2.000 9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.504 -0.507 8.481 1.00 0.00 H new ATOM 1055 N ILE A 76 -15.047 -3.447 10.071 1.00 0.00 N ATOM 1056 CA ILE A 76 -14.510 -3.851 11.392 1.00 0.00 C ATOM 1057 C ILE A 76 -13.163 -4.624 11.290 1.00 0.00 C ATOM 1058 O ILE A 76 -12.290 -4.430 12.144 1.00 0.00 O ATOM 1059 CB ILE A 76 -15.575 -4.685 12.204 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -16.955 -3.927 12.216 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -15.080 -5.011 13.643 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -17.992 -4.440 13.188 1.00 0.00 C ATOM 0 H ILE A 76 -15.471 -4.211 9.544 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.299 -2.929 11.934 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.715 -5.643 11.704 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -16.767 -2.877 12.439 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -17.377 -3.969 11.212 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.842 -5.586 14.168 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -14.160 -5.593 13.588 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.890 -4.083 14.182 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.898 -3.839 13.104 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -18.224 -5.480 12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -17.604 -4.371 14.204 1.00 0.00 H new ATOM 1074 N CYS A 77 -12.962 -5.495 10.260 1.00 0.00 N ATOM 1075 CA CYS A 77 -11.703 -6.299 10.172 1.00 0.00 C ATOM 1076 C CYS A 77 -11.092 -6.308 8.758 1.00 0.00 C ATOM 1077 O CYS A 77 -10.187 -7.099 8.490 1.00 0.00 O ATOM 1078 CB CYS A 77 -11.928 -7.738 10.726 1.00 0.00 C ATOM 1079 SG CYS A 77 -13.011 -8.838 9.746 1.00 0.00 S ATOM 0 H CYS A 77 -13.627 -5.657 9.504 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.964 -5.807 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.955 -8.220 10.826 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -12.347 -7.654 11.729 1.00 0.00 H new ATOM 0 HG CYS A 77 -13.994 -8.148 9.248 1.00 0.00 H new ATOM 1084 N GLY A 78 -11.579 -5.404 7.870 1.00 0.00 N ATOM 1085 CA GLY A 78 -10.979 -5.168 6.538 1.00 0.00 C ATOM 1086 C GLY A 78 -10.736 -6.433 5.711 1.00 0.00 C ATOM 1087 O GLY A 78 -9.760 -6.522 4.974 1.00 0.00 O ATOM 0 H GLY A 78 -12.395 -4.822 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.632 -4.502 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.030 -4.649 6.669 1.00 0.00 H new ATOM 1091 N LYS A 79 -11.627 -7.427 5.893 1.00 0.00 N ATOM 1092 CA LYS A 79 -11.506 -8.764 5.278 1.00 0.00 C ATOM 1093 C LYS A 79 -11.581 -8.716 3.730 1.00 0.00 C ATOM 1094 O LYS A 79 -10.907 -9.519 3.079 1.00 0.00 O ATOM 1095 CB LYS A 79 -12.617 -9.668 5.891 1.00 0.00 C ATOM 1096 CG LYS A 79 -12.398 -11.193 5.773 1.00 0.00 C ATOM 1097 CD LYS A 79 -12.791 -11.798 4.400 1.00 0.00 C ATOM 1098 CE LYS A 79 -12.579 -13.315 4.333 1.00 0.00 C ATOM 1099 NZ LYS A 79 -11.152 -13.675 4.527 1.00 0.00 N ATOM 0 H LYS A 79 -12.458 -7.324 6.476 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.522 -9.179 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.719 -9.417 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -13.564 -9.420 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.347 -11.412 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.974 -11.691 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.838 -11.573 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.204 -11.319 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.185 -13.802 5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.922 -13.689 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.019 -14.687 4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.561 -13.113 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.875 -13.478 5.510 1.00 0.00 H new ATOM 1113 N LYS A 80 -12.412 -7.790 3.169 1.00 0.00 N ATOM 1114 CA LYS A 80 -12.616 -7.621 1.702 1.00 0.00 C ATOM 1115 C LYS A 80 -13.499 -8.757 1.161 1.00 0.00 C ATOM 1116 O LYS A 80 -13.123 -9.935 1.215 1.00 0.00 O ATOM 1117 CB LYS A 80 -11.267 -7.517 0.893 1.00 0.00 C ATOM 1118 CG LYS A 80 -10.711 -6.095 0.668 1.00 0.00 C ATOM 1119 CD LYS A 80 -10.499 -5.299 1.972 1.00 0.00 C ATOM 1120 CE LYS A 80 -9.731 -3.991 1.743 1.00 0.00 C ATOM 1121 NZ LYS A 80 -10.344 -3.165 0.668 1.00 0.00 N ATOM 0 H LYS A 80 -12.962 -7.137 3.727 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.123 -6.667 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.509 -8.102 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.415 -7.984 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.762 -6.165 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.396 -5.544 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.468 -5.074 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.954 -5.916 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.706 -3.418 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.698 -4.219 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.766 -2.315 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.392 -3.719 -0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.304 -2.883 0.952 1.00 0.00 H new ATOM 1135 N PHE A 81 -14.689 -8.385 0.669 1.00 0.00 N ATOM 1136 CA PHE A 81 -15.697 -9.333 0.155 1.00 0.00 C ATOM 1137 C PHE A 81 -16.098 -8.999 -1.282 1.00 0.00 C ATOM 1138 O PHE A 81 -15.970 -7.860 -1.728 1.00 0.00 O ATOM 1139 CB PHE A 81 -16.945 -9.310 1.060 1.00 0.00 C ATOM 1140 CG PHE A 81 -16.684 -9.816 2.473 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -16.247 -8.957 3.478 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -16.861 -11.158 2.790 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -16.007 -9.426 4.746 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -16.616 -11.621 4.060 1.00 0.00 C ATOM 1145 CZ PHE A 81 -16.192 -10.757 5.033 1.00 0.00 C ATOM 0 H PHE A 81 -14.985 -7.410 0.615 1.00 0.00 H new ATOM 0 HA PHE A 81 -15.255 -10.329 0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.326 -8.290 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -17.726 -9.919 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -16.095 -7.911 3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -17.196 -11.846 2.028 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -15.673 -8.749 5.518 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -16.758 -12.667 4.291 1.00 0.00 H new ATOM 0 HZ PHE A 81 -16.002 -11.123 6.031 1.00 0.00 H new ATOM 1155 N GLU A 82 -16.557 -10.034 -1.995 1.00 0.00 N ATOM 1156 CA GLU A 82 -17.137 -9.924 -3.338 1.00 0.00 C ATOM 1157 C GLU A 82 -18.417 -9.065 -3.328 1.00 0.00 C ATOM 1158 O GLU A 82 -18.634 -8.243 -4.224 1.00 0.00 O ATOM 1159 CB GLU A 82 -17.456 -11.356 -3.850 1.00 0.00 C ATOM 1160 CG GLU A 82 -18.114 -11.444 -5.236 1.00 0.00 C ATOM 1161 CD GLU A 82 -18.409 -12.893 -5.665 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -19.462 -13.444 -5.269 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -17.579 -13.505 -6.379 1.00 0.00 O ATOM 0 H GLU A 82 -16.535 -10.992 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.422 -9.434 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.528 -11.927 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -18.111 -11.842 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.044 -10.876 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.461 -10.977 -5.974 1.00 0.00 H new ATOM 1170 N LYS A 83 -19.253 -9.267 -2.290 1.00 0.00 N ATOM 1171 CA LYS A 83 -20.576 -8.648 -2.176 1.00 0.00 C ATOM 1172 C LYS A 83 -20.627 -7.831 -0.883 1.00 0.00 C ATOM 1173 O LYS A 83 -20.042 -8.230 0.132 1.00 0.00 O ATOM 1174 CB LYS A 83 -21.677 -9.750 -2.136 1.00 0.00 C ATOM 1175 CG LYS A 83 -21.517 -10.864 -3.186 1.00 0.00 C ATOM 1176 CD LYS A 83 -22.460 -12.066 -2.959 1.00 0.00 C ATOM 1177 CE LYS A 83 -23.950 -11.714 -3.088 1.00 0.00 C ATOM 1178 NZ LYS A 83 -24.822 -12.818 -2.611 1.00 0.00 N ATOM 0 H LYS A 83 -19.020 -9.872 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 83 -20.753 -8.002 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -21.681 -10.203 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -22.649 -9.277 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -21.703 -10.448 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.485 -11.215 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -22.217 -12.848 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -22.277 -12.478 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -24.161 -10.811 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -24.182 -11.492 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -25.632 -12.923 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -24.279 -13.705 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -25.166 -12.600 -1.654 1.00 0.00 H new ATOM 1192 N LYS A 84 -21.333 -6.701 -0.922 1.00 0.00 N ATOM 1193 CA LYS A 84 -21.731 -5.958 0.284 1.00 0.00 C ATOM 1194 C LYS A 84 -22.703 -6.824 1.100 1.00 0.00 C ATOM 1195 O LYS A 84 -22.736 -6.755 2.321 1.00 0.00 O ATOM 1196 CB LYS A 84 -22.387 -4.609 -0.119 1.00 0.00 C ATOM 1197 CG LYS A 84 -21.409 -3.614 -0.787 1.00 0.00 C ATOM 1198 CD LYS A 84 -22.098 -2.348 -1.352 1.00 0.00 C ATOM 1199 CE LYS A 84 -23.061 -2.658 -2.511 1.00 0.00 C ATOM 1200 NZ LYS A 84 -23.628 -1.424 -3.099 1.00 0.00 N ATOM 0 H LYS A 84 -21.648 -6.270 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.856 -5.735 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -23.212 -4.807 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -22.814 -4.143 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.657 -3.313 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -20.884 -4.122 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -22.648 -1.852 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.336 -1.649 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -22.533 -3.219 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -23.870 -3.294 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -24.272 -1.674 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -24.153 -0.901 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -22.858 -0.828 -3.465 1.00 0.00 H new ATOM 1214 N ASP A 85 -23.480 -7.653 0.381 1.00 0.00 N ATOM 1215 CA ASP A 85 -24.324 -8.712 0.959 1.00 0.00 C ATOM 1216 C ASP A 85 -23.483 -9.650 1.850 1.00 0.00 C ATOM 1217 O ASP A 85 -23.882 -9.948 2.981 1.00 0.00 O ATOM 1218 CB ASP A 85 -25.007 -9.502 -0.187 1.00 0.00 C ATOM 1219 CG ASP A 85 -25.916 -10.658 0.289 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -27.010 -10.378 0.828 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -25.550 -11.849 0.108 1.00 0.00 O ATOM 0 H ASP A 85 -23.540 -7.604 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 85 -25.092 -8.261 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -25.601 -8.811 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -24.236 -9.908 -0.842 1.00 0.00 H new ATOM 1226 N SER A 86 -22.299 -10.073 1.342 1.00 0.00 N ATOM 1227 CA SER A 86 -21.363 -10.906 2.105 1.00 0.00 C ATOM 1228 C SER A 86 -20.841 -10.181 3.373 1.00 0.00 C ATOM 1229 O SER A 86 -20.594 -10.831 4.386 1.00 0.00 O ATOM 1230 CB SER A 86 -20.181 -11.329 1.217 1.00 0.00 C ATOM 1231 OG SER A 86 -20.624 -11.952 0.027 1.00 0.00 O ATOM 0 H SER A 86 -21.977 -9.844 0.401 1.00 0.00 H new ATOM 0 HA SER A 86 -21.908 -11.792 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.580 -10.454 0.969 1.00 0.00 H new ATOM 0 HB3 SER A 86 -19.536 -12.013 1.769 1.00 0.00 H new ATOM 0 HG SER A 86 -19.849 -12.207 -0.516 1.00 0.00 H new ATOM 1237 N VAL A 87 -20.700 -8.836 3.307 1.00 0.00 N ATOM 1238 CA VAL A 87 -20.123 -8.025 4.410 1.00 0.00 C ATOM 1239 C VAL A 87 -21.140 -7.894 5.559 1.00 0.00 C ATOM 1240 O VAL A 87 -20.800 -8.059 6.729 1.00 0.00 O ATOM 1241 CB VAL A 87 -19.701 -6.566 3.964 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -19.022 -5.797 5.128 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -18.799 -6.575 2.713 1.00 0.00 C ATOM 0 H VAL A 87 -20.980 -8.285 2.496 1.00 0.00 H new ATOM 0 HA VAL A 87 -19.225 -8.554 4.729 1.00 0.00 H new ATOM 0 HB VAL A 87 -20.618 -6.042 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -18.744 -4.799 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -19.716 -5.717 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -18.129 -6.334 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -18.536 -5.551 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -17.891 -7.140 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -19.332 -7.041 1.884 1.00 0.00 H new ATOM 1253 N VAL A 88 -22.391 -7.604 5.173 1.00 0.00 N ATOM 1254 CA VAL A 88 -23.510 -7.329 6.100 1.00 0.00 C ATOM 1255 C VAL A 88 -23.917 -8.629 6.802 1.00 0.00 C ATOM 1256 O VAL A 88 -24.206 -8.643 8.009 1.00 0.00 O ATOM 1257 CB VAL A 88 -24.752 -6.706 5.334 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -25.965 -6.495 6.282 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -24.362 -5.378 4.635 1.00 0.00 C ATOM 0 H VAL A 88 -22.663 -7.552 4.191 1.00 0.00 H new ATOM 0 HA VAL A 88 -23.179 -6.600 6.840 1.00 0.00 H new ATOM 0 HB VAL A 88 -25.054 -7.421 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -26.795 -6.067 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -26.268 -7.453 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -25.684 -5.817 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -25.230 -4.971 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -24.016 -4.662 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -23.565 -5.566 3.915 1.00 0.00 H new ATOM 1269 N ALA A 89 -23.869 -9.728 6.023 1.00 0.00 N ATOM 1270 CA ALA A 89 -24.165 -11.082 6.520 1.00 0.00 C ATOM 1271 C ALA A 89 -23.067 -11.520 7.500 1.00 0.00 C ATOM 1272 O ALA A 89 -23.343 -12.127 8.535 1.00 0.00 O ATOM 1273 CB ALA A 89 -24.298 -12.076 5.352 1.00 0.00 C ATOM 0 H ALA A 89 -23.624 -9.700 5.033 1.00 0.00 H new ATOM 0 HA ALA A 89 -25.119 -11.069 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -24.517 -13.070 5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -25.107 -11.759 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -23.364 -12.104 4.790 1.00 0.00 H new ATOM 1279 N HIS A 90 -21.822 -11.145 7.163 1.00 0.00 N ATOM 1280 CA HIS A 90 -20.623 -11.440 7.979 1.00 0.00 C ATOM 1281 C HIS A 90 -20.574 -10.572 9.248 1.00 0.00 C ATOM 1282 O HIS A 90 -20.057 -11.000 10.262 1.00 0.00 O ATOM 1283 CB HIS A 90 -19.341 -11.252 7.108 1.00 0.00 C ATOM 1284 CG HIS A 90 -18.066 -10.905 7.831 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -17.168 -11.823 8.322 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -17.515 -9.689 8.061 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -16.122 -11.149 8.810 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -16.286 -9.850 8.669 1.00 0.00 N ATOM 0 H HIS A 90 -21.613 -10.624 6.311 1.00 0.00 H new ATOM 0 HA HIS A 90 -20.673 -12.477 8.312 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -19.173 -12.173 6.549 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -19.540 -10.468 6.378 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -17.280 -12.837 8.315 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -17.967 -8.741 7.808 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.255 -11.610 9.261 1.00 0.00 H new ATOM 1296 N LYS A 91 -21.064 -9.334 9.156 1.00 0.00 N ATOM 1297 CA LYS A 91 -21.006 -8.358 10.261 1.00 0.00 C ATOM 1298 C LYS A 91 -22.021 -8.728 11.355 1.00 0.00 C ATOM 1299 O LYS A 91 -21.698 -8.753 12.540 1.00 0.00 O ATOM 1300 CB LYS A 91 -21.244 -6.920 9.734 1.00 0.00 C ATOM 1301 CG LYS A 91 -21.042 -5.818 10.792 1.00 0.00 C ATOM 1302 CD LYS A 91 -21.301 -4.400 10.246 1.00 0.00 C ATOM 1303 CE LYS A 91 -21.191 -3.323 11.341 1.00 0.00 C ATOM 1304 NZ LYS A 91 -22.127 -3.591 12.464 1.00 0.00 N ATOM 0 H LYS A 91 -21.514 -8.974 8.315 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.010 -8.388 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.568 -6.735 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.259 -6.852 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.709 -6.004 11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -20.023 -5.873 11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.586 -4.182 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.295 -4.361 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.169 -3.289 11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -21.406 -2.344 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -22.217 -2.738 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -23.060 -3.850 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -21.760 -4.373 13.043 1.00 0.00 H new ATOM 1318 N ALA A 92 -23.249 -9.056 10.921 1.00 0.00 N ATOM 1319 CA ALA A 92 -24.349 -9.464 11.813 1.00 0.00 C ATOM 1320 C ALA A 92 -24.054 -10.814 12.510 1.00 0.00 C ATOM 1321 O ALA A 92 -24.645 -11.131 13.546 1.00 0.00 O ATOM 1322 CB ALA A 92 -25.667 -9.540 11.024 1.00 0.00 C ATOM 0 H ALA A 92 -23.509 -9.046 9.935 1.00 0.00 H new ATOM 0 HA ALA A 92 -24.443 -8.710 12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -26.474 -9.842 11.692 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -25.894 -8.562 10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -25.568 -10.270 10.220 1.00 0.00 H new ATOM 1328 N LYS A 93 -23.136 -11.600 11.917 1.00 0.00 N ATOM 1329 CA LYS A 93 -22.798 -12.955 12.372 1.00 0.00 C ATOM 1330 C LYS A 93 -21.493 -12.978 13.205 1.00 0.00 C ATOM 1331 O LYS A 93 -21.455 -13.532 14.310 1.00 0.00 O ATOM 1332 CB LYS A 93 -22.676 -13.848 11.110 1.00 0.00 C ATOM 1333 CG LYS A 93 -22.004 -15.207 11.325 1.00 0.00 C ATOM 1334 CD LYS A 93 -21.915 -16.048 10.032 1.00 0.00 C ATOM 1335 CE LYS A 93 -21.155 -15.336 8.903 1.00 0.00 C ATOM 1336 NZ LYS A 93 -21.041 -16.189 7.702 1.00 0.00 N ATOM 0 H LYS A 93 -22.604 -11.305 11.099 1.00 0.00 H new ATOM 0 HA LYS A 93 -23.579 -13.330 13.033 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -23.675 -14.016 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -22.115 -13.301 10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -21.000 -15.051 11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -22.560 -15.766 12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -21.422 -16.994 10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -22.922 -16.286 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -21.669 -14.410 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -20.159 -15.061 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.522 -15.677 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -20.529 -17.061 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.992 -16.430 7.356 1.00 0.00 H new ATOM 1350 N SER A 94 -20.434 -12.357 12.663 1.00 0.00 N ATOM 1351 CA SER A 94 -19.049 -12.471 13.177 1.00 0.00 C ATOM 1352 C SER A 94 -18.667 -11.255 14.036 1.00 0.00 C ATOM 1353 O SER A 94 -17.584 -11.217 14.634 1.00 0.00 O ATOM 1354 CB SER A 94 -18.054 -12.632 11.994 1.00 0.00 C ATOM 1355 OG SER A 94 -16.718 -12.865 12.429 1.00 0.00 O ATOM 0 H SER A 94 -20.510 -11.753 11.845 1.00 0.00 H new ATOM 0 HA SER A 94 -18.996 -13.355 13.812 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.376 -13.461 11.363 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.080 -11.733 11.378 1.00 0.00 H new ATOM 0 HG SER A 94 -16.567 -12.406 13.282 1.00 0.00 H new ATOM 1361 N HIS A 95 -19.580 -10.270 14.108 1.00 0.00 N ATOM 1362 CA HIS A 95 -19.398 -9.031 14.886 1.00 0.00 C ATOM 1363 C HIS A 95 -20.716 -8.652 15.646 1.00 0.00 C ATOM 1364 O HIS A 95 -21.240 -7.536 15.451 1.00 0.00 O ATOM 1365 CB HIS A 95 -18.976 -7.879 13.928 1.00 0.00 C ATOM 1366 CG HIS A 95 -17.693 -8.083 13.159 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -16.508 -8.527 13.708 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -17.433 -7.852 11.856 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -15.587 -8.536 12.738 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -16.105 -8.139 11.592 1.00 0.00 N ATOM 0 H HIS A 95 -20.476 -10.312 13.622 1.00 0.00 H new ATOM 0 HA HIS A 95 -18.616 -9.191 15.629 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -19.782 -7.717 13.212 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -18.882 -6.965 14.514 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -18.150 -7.498 11.131 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -14.557 -8.829 12.875 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -15.625 -8.060 10.695 1.00 0.00 H new