USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 745 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 103 HIS : no HD1:sc= 0.0889 K(o=1.1,f=-0.49) USER MOD Set 1.2: A 107 GLN : amide:sc= 1.03 K(o=1.1,f=-0.49) USER MOD Set 2.1: A 66 ASN : amide:sc= 0.21 K(o=0.21,f=-5.9!) USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.712 USER MOD Set 3.2: A 64 ASN : amide:sc= 0.749 X(o=1.5,f=1.2) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 127:sc= 0.977 USER MOD Single : A 24 MET CE :methyl 168:sc= 0 (180deg=-0.0682) USER MOD Single : A 43 TYR OH : rot 162:sc= 1.21 USER MOD Single : A 48 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.15) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.775) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -41:sc= 1.23 USER MOD Single : A 69 ASN : amide:sc= 0.277 X(o=0.28,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 2.22 (180deg=1.5) USER MOD Single : A 91 TYR OH : rot -26:sc= 0.359 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 78:sc= 1.25 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -1.890 0.244 12.808 1.00 0.00 N ATOM 15 CA ASP A 2 -1.940 -1.080 12.150 1.00 0.00 C ATOM 16 C ASP A 2 -1.260 -1.120 10.763 1.00 0.00 C ATOM 17 O ASP A 2 -1.239 -2.167 10.112 1.00 0.00 O ATOM 18 CB ASP A 2 -3.410 -1.527 12.076 1.00 0.00 C ATOM 19 CG ASP A 2 -3.980 -1.808 13.477 1.00 0.00 C ATOM 20 OD1 ASP A 2 -3.829 -2.954 13.967 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.539 -0.876 14.110 1.00 0.00 O ATOM 0 HA ASP A 2 -1.359 -1.777 12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.003 -0.754 11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.489 -2.424 11.462 1.00 0.00 H new ATOM 26 N VAL A 3 -0.667 0.001 10.327 1.00 0.00 N ATOM 27 CA VAL A 3 -0.032 0.188 9.002 1.00 0.00 C ATOM 28 C VAL A 3 1.436 0.602 9.170 1.00 0.00 C ATOM 29 O VAL A 3 1.766 1.422 10.034 1.00 0.00 O ATOM 30 CB VAL A 3 -0.767 1.281 8.185 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.433 1.160 6.695 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.302 1.224 8.279 1.00 0.00 C ATOM 0 H VAL A 3 -0.611 0.839 10.906 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.092 -0.761 8.469 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.419 2.217 8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.959 1.937 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.641 1.277 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.743 0.180 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.733 2.024 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.654 0.261 7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.608 1.346 9.318 1.00 0.00 H new ATOM 42 N LEU A 4 2.325 0.058 8.334 1.00 0.00 N ATOM 43 CA LEU A 4 3.735 0.464 8.245 1.00 0.00 C ATOM 44 C LEU A 4 3.875 1.867 7.621 1.00 0.00 C ATOM 45 O LEU A 4 3.087 2.263 6.760 1.00 0.00 O ATOM 46 CB LEU A 4 4.520 -0.589 7.428 1.00 0.00 C ATOM 47 CG LEU A 4 4.942 -1.888 8.145 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.987 -1.618 9.229 1.00 0.00 C ATOM 49 CD2 LEU A 4 3.781 -2.666 8.764 1.00 0.00 C ATOM 0 H LEU A 4 2.082 -0.692 7.686 1.00 0.00 H new ATOM 0 HA LEU A 4 4.151 0.518 9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.913 -0.865 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.421 -0.111 7.044 1.00 0.00 H new ATOM 0 HG LEU A 4 5.368 -2.508 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.260 -2.556 9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.873 -1.171 8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.574 -0.934 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.163 -3.565 9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.278 -2.042 9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.074 -2.947 7.983 1.00 0.00 H new ATOM 61 N GLU A 5 4.896 2.618 8.027 1.00 0.00 N ATOM 62 CA GLU A 5 5.079 4.023 7.682 1.00 0.00 C ATOM 63 C GLU A 5 6.571 4.321 7.442 1.00 0.00 C ATOM 64 O GLU A 5 7.330 4.623 8.369 1.00 0.00 O ATOM 65 CB GLU A 5 4.464 4.838 8.830 1.00 0.00 C ATOM 66 CG GLU A 5 4.382 6.299 8.437 1.00 0.00 C ATOM 67 CD GLU A 5 3.584 7.115 9.478 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.327 7.063 9.472 1.00 0.00 O ATOM 69 OE2 GLU A 5 4.213 7.809 10.317 1.00 0.00 O ATOM 0 H GLU A 5 5.640 2.254 8.622 1.00 0.00 H new ATOM 0 HA GLU A 5 4.581 4.292 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.469 4.459 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.068 4.728 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.387 6.710 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.908 6.389 7.460 1.00 0.00 H new ATOM 76 N LEU A 6 7.011 4.162 6.188 1.00 0.00 N ATOM 77 CA LEU A 6 8.421 4.192 5.790 1.00 0.00 C ATOM 78 C LEU A 6 8.857 5.545 5.189 1.00 0.00 C ATOM 79 O LEU A 6 8.044 6.385 4.797 1.00 0.00 O ATOM 80 CB LEU A 6 8.713 3.062 4.775 1.00 0.00 C ATOM 81 CG LEU A 6 8.439 1.598 5.178 1.00 0.00 C ATOM 82 CD1 LEU A 6 8.844 1.277 6.612 1.00 0.00 C ATOM 83 CD2 LEU A 6 6.990 1.181 4.944 1.00 0.00 C ATOM 0 H LEU A 6 6.379 4.005 5.403 1.00 0.00 H new ATOM 0 HA LEU A 6 8.999 4.044 6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.131 3.269 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.765 3.134 4.497 1.00 0.00 H new ATOM 0 HG LEU A 6 9.077 1.013 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.623 0.231 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.912 1.455 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.287 1.914 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.857 0.142 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.329 1.817 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.748 1.286 3.886 1.00 0.00 H new ATOM 95 N THR A 7 10.175 5.711 5.063 1.00 0.00 N ATOM 96 CA THR A 7 10.859 6.798 4.336 1.00 0.00 C ATOM 97 C THR A 7 12.184 6.274 3.762 1.00 0.00 C ATOM 98 O THR A 7 12.691 5.243 4.204 1.00 0.00 O ATOM 99 CB THR A 7 11.061 8.026 5.244 1.00 0.00 C ATOM 100 OG1 THR A 7 11.635 9.102 4.527 1.00 0.00 O ATOM 101 CG2 THR A 7 11.930 7.759 6.475 1.00 0.00 C ATOM 0 H THR A 7 10.835 5.059 5.486 1.00 0.00 H new ATOM 0 HA THR A 7 10.236 7.127 3.504 1.00 0.00 H new ATOM 0 HB THR A 7 10.059 8.277 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.751 9.869 5.126 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.022 8.674 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.468 6.983 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.919 7.430 6.157 1.00 0.00 H new ATOM 109 N ASP A 8 12.753 6.961 2.772 1.00 0.00 N ATOM 110 CA ASP A 8 13.951 6.543 2.022 1.00 0.00 C ATOM 111 C ASP A 8 15.181 6.197 2.895 1.00 0.00 C ATOM 112 O ASP A 8 16.018 5.383 2.509 1.00 0.00 O ATOM 113 CB ASP A 8 14.295 7.677 1.047 1.00 0.00 C ATOM 114 CG ASP A 8 15.500 7.343 0.156 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.391 6.432 -0.694 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.548 8.024 0.281 1.00 0.00 O ATOM 0 H ASP A 8 12.384 7.857 2.454 1.00 0.00 H new ATOM 0 HA ASP A 8 13.710 5.611 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.429 7.886 0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.506 8.585 1.611 1.00 0.00 H new ATOM 121 N ASP A 9 15.269 6.777 4.098 1.00 0.00 N ATOM 122 CA ASP A 9 16.303 6.480 5.094 1.00 0.00 C ATOM 123 C ASP A 9 16.351 5.000 5.533 1.00 0.00 C ATOM 124 O ASP A 9 17.410 4.511 5.939 1.00 0.00 O ATOM 125 CB ASP A 9 16.079 7.386 6.306 1.00 0.00 C ATOM 126 CG ASP A 9 17.238 7.315 7.315 1.00 0.00 C ATOM 127 OD1 ASP A 9 18.361 7.765 6.974 1.00 0.00 O ATOM 128 OD2 ASP A 9 17.026 6.833 8.456 1.00 0.00 O ATOM 0 H ASP A 9 14.605 7.484 4.413 1.00 0.00 H new ATOM 0 HA ASP A 9 17.269 6.672 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.957 8.415 5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.151 7.101 6.802 1.00 0.00 H new ATOM 133 N ASN A 10 15.225 4.278 5.439 1.00 0.00 N ATOM 134 CA ASN A 10 15.089 2.883 5.897 1.00 0.00 C ATOM 135 C ASN A 10 14.188 1.969 5.028 1.00 0.00 C ATOM 136 O ASN A 10 14.241 0.746 5.190 1.00 0.00 O ATOM 137 CB ASN A 10 14.637 2.890 7.374 1.00 0.00 C ATOM 138 CG ASN A 10 13.258 3.494 7.593 1.00 0.00 C ATOM 139 OD1 ASN A 10 13.076 4.697 7.718 1.00 0.00 O ATOM 140 ND2 ASN A 10 12.230 2.680 7.654 1.00 0.00 N ATOM 0 H ASN A 10 14.366 4.652 5.035 1.00 0.00 H new ATOM 0 HA ASN A 10 16.074 2.428 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.639 1.867 7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.365 3.447 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.293 3.053 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.369 1.675 7.551 1.00 0.00 H new ATOM 147 N PHE A 11 13.392 2.514 4.098 1.00 0.00 N ATOM 148 CA PHE A 11 12.510 1.763 3.184 1.00 0.00 C ATOM 149 C PHE A 11 13.236 0.621 2.447 1.00 0.00 C ATOM 150 O PHE A 11 12.720 -0.496 2.383 1.00 0.00 O ATOM 151 CB PHE A 11 11.900 2.749 2.175 1.00 0.00 C ATOM 152 CG PHE A 11 11.060 2.121 1.070 1.00 0.00 C ATOM 153 CD1 PHE A 11 9.697 1.824 1.286 1.00 0.00 C ATOM 154 CD2 PHE A 11 11.636 1.851 -0.186 1.00 0.00 C ATOM 155 CE1 PHE A 11 8.916 1.274 0.252 1.00 0.00 C ATOM 156 CE2 PHE A 11 10.854 1.302 -1.220 1.00 0.00 C ATOM 157 CZ PHE A 11 9.496 1.021 -1.004 1.00 0.00 C ATOM 0 H PHE A 11 13.340 3.522 3.954 1.00 0.00 H new ATOM 0 HA PHE A 11 11.731 1.289 3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.279 3.461 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.708 3.317 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.251 2.020 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.681 2.066 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.874 1.047 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.300 1.097 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.896 0.610 -1.803 1.00 0.00 H new ATOM 167 N GLU A 12 14.464 0.867 1.981 1.00 0.00 N ATOM 168 CA GLU A 12 15.325 -0.057 1.215 1.00 0.00 C ATOM 169 C GLU A 12 15.737 -1.345 1.965 1.00 0.00 C ATOM 170 O GLU A 12 16.421 -2.209 1.411 1.00 0.00 O ATOM 171 CB GLU A 12 16.589 0.697 0.764 1.00 0.00 C ATOM 172 CG GLU A 12 16.284 1.840 -0.222 1.00 0.00 C ATOM 173 CD GLU A 12 17.580 2.373 -0.863 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.377 3.051 -0.171 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.831 2.098 -2.063 1.00 0.00 O ATOM 0 H GLU A 12 14.916 1.768 2.134 1.00 0.00 H new ATOM 0 HA GLU A 12 14.725 -0.393 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.095 1.104 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.278 -0.006 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.608 1.484 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.772 2.649 0.299 1.00 0.00 H new ATOM 182 N SER A 13 15.340 -1.497 3.228 1.00 0.00 N ATOM 183 CA SER A 13 15.476 -2.733 4.018 1.00 0.00 C ATOM 184 C SER A 13 14.209 -3.059 4.829 1.00 0.00 C ATOM 185 O SER A 13 14.277 -3.696 5.881 1.00 0.00 O ATOM 186 CB SER A 13 16.757 -2.672 4.856 1.00 0.00 C ATOM 187 OG SER A 13 17.848 -2.559 3.954 1.00 0.00 O ATOM 0 H SER A 13 14.899 -0.741 3.752 1.00 0.00 H new ATOM 0 HA SER A 13 15.576 -3.578 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.731 -1.820 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.857 -3.567 5.470 1.00 0.00 H new ATOM 0 HG SER A 13 18.687 -2.516 4.459 1.00 0.00 H new ATOM 193 N ARG A 14 13.046 -2.627 4.320 1.00 0.00 N ATOM 194 CA ARG A 14 11.692 -2.976 4.810 1.00 0.00 C ATOM 195 C ARG A 14 10.749 -3.472 3.711 1.00 0.00 C ATOM 196 O ARG A 14 9.744 -4.107 4.030 1.00 0.00 O ATOM 197 CB ARG A 14 11.056 -1.754 5.478 1.00 0.00 C ATOM 198 CG ARG A 14 11.828 -1.223 6.698 1.00 0.00 C ATOM 199 CD ARG A 14 11.847 -2.222 7.864 1.00 0.00 C ATOM 200 NE ARG A 14 12.612 -1.697 9.006 1.00 0.00 N ATOM 201 CZ ARG A 14 13.897 -1.871 9.274 1.00 0.00 C ATOM 202 NH1 ARG A 14 14.699 -2.552 8.503 1.00 0.00 N ATOM 203 NH2 ARG A 14 14.415 -1.346 10.347 1.00 0.00 N ATOM 0 H ARG A 14 13.015 -1.996 3.519 1.00 0.00 H new ATOM 0 HA ARG A 14 11.828 -3.795 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.971 -0.955 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.043 -2.011 5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.852 -0.994 6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.376 -0.289 7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.826 -2.439 8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.285 -3.163 7.532 1.00 0.00 H new ATOM 0 HE ARG A 14 12.088 -1.130 9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.343 -2.980 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.682 -2.656 8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.831 -0.801 10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.405 -1.480 10.554 1.00 0.00 H new ATOM 217 N ILE A 15 11.102 -3.287 2.434 1.00 0.00 N ATOM 218 CA ILE A 15 10.395 -3.874 1.281 1.00 0.00 C ATOM 219 C ILE A 15 10.189 -5.396 1.398 1.00 0.00 C ATOM 220 O ILE A 15 9.262 -5.964 0.824 1.00 0.00 O ATOM 221 CB ILE A 15 11.089 -3.558 -0.067 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.381 -4.356 -0.371 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.345 -2.058 -0.208 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.549 -4.164 0.600 1.00 0.00 C ATOM 0 H ILE A 15 11.902 -2.715 2.164 1.00 0.00 H new ATOM 0 HA ILE A 15 9.415 -3.397 1.296 1.00 0.00 H new ATOM 0 HB ILE A 15 10.375 -3.896 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.129 -5.416 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 15 12.721 -4.086 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.833 -1.860 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.397 -1.522 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.988 -1.721 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.393 -4.775 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.844 -3.115 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.243 -4.466 1.602 1.00 0.00 H new ATOM 236 N SER A 16 11.070 -6.040 2.160 1.00 0.00 N ATOM 237 CA SER A 16 11.112 -7.491 2.389 1.00 0.00 C ATOM 238 C SER A 16 9.986 -8.000 3.301 1.00 0.00 C ATOM 239 O SER A 16 9.815 -9.209 3.452 1.00 0.00 O ATOM 240 CB SER A 16 12.464 -7.898 2.999 1.00 0.00 C ATOM 241 OG SER A 16 13.545 -7.451 2.196 1.00 0.00 O ATOM 0 H SER A 16 11.810 -5.546 2.660 1.00 0.00 H new ATOM 0 HA SER A 16 10.974 -7.950 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.555 -7.479 4.001 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.508 -8.982 3.102 1.00 0.00 H new ATOM 0 HG SER A 16 14.392 -7.722 2.608 1.00 0.00 H new ATOM 247 N ASP A 17 9.225 -7.099 3.933 1.00 0.00 N ATOM 248 CA ASP A 17 8.185 -7.418 4.918 1.00 0.00 C ATOM 249 C ASP A 17 6.858 -7.883 4.286 1.00 0.00 C ATOM 250 O ASP A 17 5.788 -7.306 4.500 1.00 0.00 O ATOM 251 CB ASP A 17 8.011 -6.233 5.879 1.00 0.00 C ATOM 252 CG ASP A 17 7.144 -6.578 7.104 1.00 0.00 C ATOM 253 OD1 ASP A 17 7.309 -7.683 7.683 1.00 0.00 O ATOM 254 OD2 ASP A 17 6.340 -5.724 7.547 1.00 0.00 O ATOM 0 H ASP A 17 9.319 -6.097 3.768 1.00 0.00 H new ATOM 0 HA ASP A 17 8.519 -8.283 5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.992 -5.899 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.558 -5.400 5.342 1.00 0.00 H new ATOM 259 N THR A 18 6.931 -8.916 3.451 1.00 0.00 N ATOM 260 CA THR A 18 5.781 -9.609 2.848 1.00 0.00 C ATOM 261 C THR A 18 4.918 -10.365 3.866 1.00 0.00 C ATOM 262 O THR A 18 5.328 -10.627 5.003 1.00 0.00 O ATOM 263 CB THR A 18 6.235 -10.597 1.754 1.00 0.00 C ATOM 264 OG1 THR A 18 7.139 -11.548 2.271 1.00 0.00 O ATOM 265 CG2 THR A 18 6.923 -9.909 0.582 1.00 0.00 C ATOM 0 H THR A 18 7.824 -9.314 3.161 1.00 0.00 H new ATOM 0 HA THR A 18 5.169 -8.819 2.414 1.00 0.00 H new ATOM 0 HB THR A 18 5.321 -11.076 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.410 -12.163 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.220 -10.655 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.236 -9.199 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.807 -9.380 0.938 1.00 0.00 H new ATOM 273 N GLY A 19 3.716 -10.748 3.425 1.00 0.00 N ATOM 274 CA GLY A 19 2.764 -11.584 4.169 1.00 0.00 C ATOM 275 C GLY A 19 2.533 -12.959 3.535 1.00 0.00 C ATOM 276 O GLY A 19 3.167 -13.318 2.546 1.00 0.00 O ATOM 0 H GLY A 19 3.365 -10.475 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.130 -11.719 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.811 -11.060 4.239 1.00 0.00 H new ATOM 280 N SER A 20 1.587 -13.718 4.096 1.00 0.00 N ATOM 281 CA SER A 20 1.192 -15.080 3.673 1.00 0.00 C ATOM 282 C SER A 20 0.794 -15.189 2.187 1.00 0.00 C ATOM 283 O SER A 20 0.957 -16.250 1.577 1.00 0.00 O ATOM 284 CB SER A 20 0.029 -15.585 4.540 1.00 0.00 C ATOM 285 OG SER A 20 0.295 -15.395 5.924 1.00 0.00 O ATOM 0 H SER A 20 1.045 -13.391 4.896 1.00 0.00 H new ATOM 0 HA SER A 20 2.080 -15.698 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.886 -15.058 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.142 -16.643 4.342 1.00 0.00 H new ATOM 0 HG SER A 20 -0.451 -14.911 6.337 1.00 0.00 H new ATOM 291 N ALA A 21 0.321 -14.089 1.585 1.00 0.00 N ATOM 292 CA ALA A 21 0.039 -13.957 0.151 1.00 0.00 C ATOM 293 C ALA A 21 1.283 -14.069 -0.764 1.00 0.00 C ATOM 294 O ALA A 21 1.138 -14.246 -1.976 1.00 0.00 O ATOM 295 CB ALA A 21 -0.667 -12.609 -0.056 1.00 0.00 C ATOM 0 H ALA A 21 0.117 -13.235 2.104 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.590 -14.797 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.893 -12.475 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.593 -12.592 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.016 -11.802 0.281 1.00 0.00 H new ATOM 301 N GLY A 22 2.499 -13.954 -0.212 1.00 0.00 N ATOM 302 CA GLY A 22 3.761 -13.968 -0.966 1.00 0.00 C ATOM 303 C GLY A 22 4.206 -12.587 -1.448 1.00 0.00 C ATOM 304 O GLY A 22 5.129 -12.488 -2.257 1.00 0.00 O ATOM 0 H GLY A 22 2.636 -13.846 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.544 -14.393 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.651 -14.626 -1.828 1.00 0.00 H new ATOM 308 N LEU A 23 3.563 -11.510 -0.975 1.00 0.00 N ATOM 309 CA LEU A 23 3.803 -10.133 -1.406 1.00 0.00 C ATOM 310 C LEU A 23 3.585 -9.096 -0.289 1.00 0.00 C ATOM 311 O LEU A 23 3.151 -9.433 0.815 1.00 0.00 O ATOM 312 CB LEU A 23 2.966 -9.868 -2.684 1.00 0.00 C ATOM 313 CG LEU A 23 1.432 -9.781 -2.542 1.00 0.00 C ATOM 314 CD1 LEU A 23 0.973 -8.421 -2.016 1.00 0.00 C ATOM 315 CD2 LEU A 23 0.798 -9.976 -3.923 1.00 0.00 C ATOM 0 H LEU A 23 2.839 -11.580 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 23 4.858 -10.012 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.314 -8.933 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.190 -10.659 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 23 1.126 -10.551 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.114 -8.411 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.413 -8.243 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.292 -7.638 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.287 -9.917 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.151 -9.197 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.078 -10.953 -4.317 1.00 0.00 H new ATOM 327 N MET A 24 3.883 -7.833 -0.592 1.00 0.00 N ATOM 328 CA MET A 24 3.659 -6.651 0.256 1.00 0.00 C ATOM 329 C MET A 24 2.901 -5.580 -0.551 1.00 0.00 C ATOM 330 O MET A 24 3.109 -5.445 -1.761 1.00 0.00 O ATOM 331 CB MET A 24 5.032 -6.137 0.723 1.00 0.00 C ATOM 332 CG MET A 24 4.963 -4.967 1.703 1.00 0.00 C ATOM 333 SD MET A 24 6.601 -4.424 2.253 1.00 0.00 S ATOM 334 CE MET A 24 6.131 -3.106 3.398 1.00 0.00 C ATOM 0 H MET A 24 4.311 -7.588 -1.485 1.00 0.00 H new ATOM 0 HA MET A 24 3.054 -6.899 1.128 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.574 -6.958 1.192 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.609 -5.832 -0.150 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.447 -4.131 1.230 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.370 -5.258 2.570 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.000 -2.807 3.985 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.761 -2.249 2.835 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.348 -3.466 4.066 1.00 0.00 H new ATOM 344 N LEU A 25 2.049 -4.795 0.121 1.00 0.00 N ATOM 345 CA LEU A 25 1.247 -3.723 -0.483 1.00 0.00 C ATOM 346 C LEU A 25 1.622 -2.383 0.163 1.00 0.00 C ATOM 347 O LEU A 25 1.702 -2.276 1.390 1.00 0.00 O ATOM 348 CB LEU A 25 -0.243 -4.081 -0.299 1.00 0.00 C ATOM 349 CG LEU A 25 -1.254 -3.033 -0.812 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.134 -2.761 -2.308 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.681 -3.526 -0.570 1.00 0.00 C ATOM 0 H LEU A 25 1.894 -4.890 1.125 1.00 0.00 H new ATOM 0 HA LEU A 25 1.443 -3.624 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.436 -5.025 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.429 -4.248 0.762 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.031 -2.116 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.873 -2.016 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.134 -2.389 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.309 -3.684 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.390 -2.782 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.836 -4.465 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.836 -3.682 0.498 1.00 0.00 H new ATOM 363 N VAL A 26 1.843 -1.354 -0.654 1.00 0.00 N ATOM 364 CA VAL A 26 2.255 -0.014 -0.195 1.00 0.00 C ATOM 365 C VAL A 26 1.425 1.074 -0.875 1.00 0.00 C ATOM 366 O VAL A 26 1.000 0.901 -2.020 1.00 0.00 O ATOM 367 CB VAL A 26 3.777 0.192 -0.379 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.199 0.185 -1.849 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.302 1.474 0.271 1.00 0.00 C ATOM 0 H VAL A 26 1.742 -1.421 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 26 2.058 0.063 0.874 1.00 0.00 H new ATOM 0 HB VAL A 26 4.222 -0.662 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.277 0.334 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.935 -0.772 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.687 0.988 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.376 1.554 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.801 2.336 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.104 1.446 1.342 1.00 0.00 H new ATOM 379 N GLU A 27 1.223 2.204 -0.196 1.00 0.00 N ATOM 380 CA GLU A 27 0.479 3.366 -0.688 1.00 0.00 C ATOM 381 C GLU A 27 1.388 4.603 -0.702 1.00 0.00 C ATOM 382 O GLU A 27 1.866 5.048 0.345 1.00 0.00 O ATOM 383 CB GLU A 27 -0.752 3.602 0.199 1.00 0.00 C ATOM 384 CG GLU A 27 -1.587 4.796 -0.277 1.00 0.00 C ATOM 385 CD GLU A 27 -2.799 5.024 0.649 1.00 0.00 C ATOM 386 OE1 GLU A 27 -2.636 5.679 1.710 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.917 4.575 0.306 1.00 0.00 O ATOM 0 H GLU A 27 1.586 2.341 0.747 1.00 0.00 H new ATOM 0 HA GLU A 27 0.143 3.179 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.372 2.706 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.430 3.772 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.967 5.692 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.931 4.621 -1.296 1.00 0.00 H new ATOM 394 N PHE A 28 1.615 5.165 -1.885 1.00 0.00 N ATOM 395 CA PHE A 28 2.275 6.459 -2.046 1.00 0.00 C ATOM 396 C PHE A 28 1.212 7.570 -2.062 1.00 0.00 C ATOM 397 O PHE A 28 0.272 7.534 -2.863 1.00 0.00 O ATOM 398 CB PHE A 28 3.120 6.459 -3.320 1.00 0.00 C ATOM 399 CG PHE A 28 4.287 5.483 -3.309 1.00 0.00 C ATOM 400 CD1 PHE A 28 4.093 4.140 -3.682 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.576 5.918 -2.941 1.00 0.00 C ATOM 402 CE1 PHE A 28 5.174 3.239 -3.673 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.652 5.013 -2.923 1.00 0.00 C ATOM 404 CZ PHE A 28 6.449 3.673 -3.285 1.00 0.00 C ATOM 0 H PHE A 28 1.344 4.732 -2.768 1.00 0.00 H new ATOM 0 HA PHE A 28 2.948 6.645 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.476 6.224 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.507 7.465 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.111 3.800 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.738 6.951 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.021 2.211 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.635 5.350 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.274 2.977 -3.265 1.00 0.00 H new ATOM 414 N PHE A 29 1.345 8.536 -1.151 1.00 0.00 N ATOM 415 CA PHE A 29 0.345 9.584 -0.879 1.00 0.00 C ATOM 416 C PHE A 29 1.014 10.873 -0.356 1.00 0.00 C ATOM 417 O PHE A 29 2.219 11.049 -0.528 1.00 0.00 O ATOM 418 CB PHE A 29 -0.706 8.983 0.080 1.00 0.00 C ATOM 419 CG PHE A 29 -1.992 9.767 0.295 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.688 10.337 -0.796 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.515 9.910 1.595 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.883 11.050 -0.587 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.716 10.610 1.799 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.401 11.180 0.710 1.00 0.00 C ATOM 0 H PHE A 29 2.174 8.618 -0.562 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.163 9.896 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.974 7.994 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.232 8.841 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.299 10.224 -1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.992 9.481 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.400 11.496 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.116 10.711 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.324 11.717 0.873 1.00 0.00 H new ATOM 434 N ALA A 30 0.262 11.798 0.241 1.00 0.00 N ATOM 435 CA ALA A 30 0.780 13.035 0.837 1.00 0.00 C ATOM 436 C ALA A 30 -0.111 13.487 2.025 1.00 0.00 C ATOM 437 O ALA A 30 -1.305 13.157 2.055 1.00 0.00 O ATOM 438 CB ALA A 30 0.821 14.110 -0.264 1.00 0.00 C ATOM 0 H ALA A 30 -0.750 11.708 0.327 1.00 0.00 H new ATOM 0 HA ALA A 30 1.782 12.872 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.203 15.042 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.474 13.779 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.184 14.271 -0.653 1.00 0.00 H new ATOM 444 N PRO A 31 0.405 14.276 2.990 1.00 0.00 N ATOM 445 CA PRO A 31 -0.344 14.715 4.171 1.00 0.00 C ATOM 446 C PRO A 31 -1.355 15.856 3.911 1.00 0.00 C ATOM 447 O PRO A 31 -2.082 16.237 4.829 1.00 0.00 O ATOM 448 CB PRO A 31 0.735 15.159 5.166 1.00 0.00 C ATOM 449 CG PRO A 31 1.846 15.688 4.269 1.00 0.00 C ATOM 450 CD PRO A 31 1.782 14.743 3.069 1.00 0.00 C ATOM 0 HA PRO A 31 -0.971 13.901 4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.365 15.929 5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.078 14.329 5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.674 16.724 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.817 15.652 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.071 15.258 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.470 13.907 3.195 1.00 0.00 H new ATOM 550 N ARG A 38 -10.290 11.457 4.571 1.00 0.00 N ATOM 551 CA ARG A 38 -11.284 10.574 3.926 1.00 0.00 C ATOM 552 C ARG A 38 -10.725 9.201 3.528 1.00 0.00 C ATOM 553 O ARG A 38 -11.504 8.293 3.241 1.00 0.00 O ATOM 554 CB ARG A 38 -11.858 11.292 2.688 1.00 0.00 C ATOM 555 CG ARG A 38 -12.456 12.680 2.991 1.00 0.00 C ATOM 556 CD ARG A 38 -13.004 13.360 1.731 1.00 0.00 C ATOM 557 NE ARG A 38 -14.243 12.728 1.235 1.00 0.00 N ATOM 558 CZ ARG A 38 -15.000 13.174 0.247 1.00 0.00 C ATOM 559 NH1 ARG A 38 -14.705 14.253 -0.427 1.00 0.00 N ATOM 560 NH2 ARG A 38 -16.083 12.537 -0.089 1.00 0.00 N ATOM 0 HA ARG A 38 -12.064 10.376 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.068 11.402 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.630 10.665 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.256 12.577 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.691 13.313 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.198 14.411 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.247 13.329 0.948 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.542 11.869 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.865 14.784 -0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.315 14.565 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.352 11.689 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.664 12.885 -0.852 1.00 0.00 H new ATOM 574 N LEU A 39 -9.396 9.046 3.525 1.00 0.00 N ATOM 575 CA LEU A 39 -8.678 7.827 3.123 1.00 0.00 C ATOM 576 C LEU A 39 -7.820 7.220 4.247 1.00 0.00 C ATOM 577 O LEU A 39 -7.698 6.001 4.321 1.00 0.00 O ATOM 578 CB LEU A 39 -7.832 8.195 1.892 1.00 0.00 C ATOM 579 CG LEU A 39 -7.021 7.028 1.307 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.918 5.941 0.714 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.126 7.577 0.196 1.00 0.00 C ATOM 0 H LEU A 39 -8.765 9.794 3.813 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.398 7.044 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.491 8.588 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.146 8.997 2.164 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.440 6.580 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.300 5.138 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.570 5.543 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.524 6.366 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.540 6.765 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.744 8.029 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.454 8.330 0.609 1.00 0.00 H new ATOM 593 N ALA A 40 -7.281 8.030 5.166 1.00 0.00 N ATOM 594 CA ALA A 40 -6.544 7.538 6.336 1.00 0.00 C ATOM 595 C ALA A 40 -7.299 6.461 7.162 1.00 0.00 C ATOM 596 O ALA A 40 -6.678 5.432 7.460 1.00 0.00 O ATOM 597 CB ALA A 40 -6.106 8.730 7.199 1.00 0.00 C ATOM 0 H ALA A 40 -7.344 9.047 5.119 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.663 7.014 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.558 8.368 8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.463 9.387 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.985 9.283 7.529 1.00 0.00 H new ATOM 603 N PRO A 41 -8.614 6.607 7.478 1.00 0.00 N ATOM 604 CA PRO A 41 -9.351 5.584 8.228 1.00 0.00 C ATOM 605 C PRO A 41 -9.705 4.343 7.386 1.00 0.00 C ATOM 606 O PRO A 41 -10.020 3.293 7.952 1.00 0.00 O ATOM 607 CB PRO A 41 -10.608 6.282 8.744 1.00 0.00 C ATOM 608 CG PRO A 41 -10.884 7.343 7.684 1.00 0.00 C ATOM 609 CD PRO A 41 -9.480 7.761 7.253 1.00 0.00 C ATOM 0 HA PRO A 41 -8.733 5.192 9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.442 5.587 8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.446 6.727 9.726 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.461 6.942 6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.450 8.182 8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.468 8.055 6.204 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.138 8.621 7.829 1.00 0.00 H new ATOM 617 N GLU A 42 -9.654 4.421 6.047 1.00 0.00 N ATOM 618 CA GLU A 42 -9.917 3.273 5.163 1.00 0.00 C ATOM 619 C GLU A 42 -8.725 2.312 5.116 1.00 0.00 C ATOM 620 O GLU A 42 -8.885 1.096 5.225 1.00 0.00 O ATOM 621 CB GLU A 42 -10.219 3.768 3.737 1.00 0.00 C ATOM 622 CG GLU A 42 -11.520 4.571 3.611 1.00 0.00 C ATOM 623 CD GLU A 42 -12.750 3.678 3.857 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.985 2.760 3.037 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.480 3.887 4.858 1.00 0.00 O ATOM 0 H GLU A 42 -9.429 5.281 5.546 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.777 2.738 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.389 4.387 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.270 2.908 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.514 5.393 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.582 5.015 2.617 1.00 0.00 H new ATOM 632 N TYR A 43 -7.513 2.846 4.962 1.00 0.00 N ATOM 633 CA TYR A 43 -6.327 2.025 4.743 1.00 0.00 C ATOM 634 C TYR A 43 -5.867 1.286 6.017 1.00 0.00 C ATOM 635 O TYR A 43 -5.463 0.125 5.944 1.00 0.00 O ATOM 636 CB TYR A 43 -5.241 2.919 4.134 1.00 0.00 C ATOM 637 CG TYR A 43 -4.079 2.174 3.504 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.285 1.349 2.377 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.779 2.344 4.017 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.196 0.702 1.768 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.691 1.697 3.407 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.890 0.883 2.274 1.00 0.00 C ATOM 643 OH TYR A 43 -0.823 0.303 1.665 1.00 0.00 O ATOM 0 H TYR A 43 -7.329 3.849 4.985 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.561 1.221 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.698 3.557 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.853 3.576 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.281 1.215 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.618 2.972 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.358 0.065 0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.697 1.824 3.809 1.00 0.00 H new ATOM 0 HH TYR A 43 0.001 0.749 1.953 1.00 0.00 H new ATOM 653 N GLU A 44 -6.030 1.890 7.207 1.00 0.00 N ATOM 654 CA GLU A 44 -5.786 1.205 8.489 1.00 0.00 C ATOM 655 C GLU A 44 -6.801 0.094 8.795 1.00 0.00 C ATOM 656 O GLU A 44 -6.442 -0.947 9.355 1.00 0.00 O ATOM 657 CB GLU A 44 -5.698 2.229 9.632 1.00 0.00 C ATOM 658 CG GLU A 44 -7.021 2.891 10.026 1.00 0.00 C ATOM 659 CD GLU A 44 -6.817 3.875 11.193 1.00 0.00 C ATOM 660 OE1 GLU A 44 -6.489 5.066 10.959 1.00 0.00 O ATOM 661 OE2 GLU A 44 -6.979 3.469 12.368 1.00 0.00 O ATOM 0 H GLU A 44 -6.332 2.859 7.308 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.826 0.697 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.284 1.733 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.993 3.009 9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.438 3.419 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.744 2.127 10.312 1.00 0.00 H new ATOM 668 N ALA A 45 -8.058 0.277 8.374 1.00 0.00 N ATOM 669 CA ALA A 45 -9.076 -0.768 8.443 1.00 0.00 C ATOM 670 C ALA A 45 -8.704 -1.969 7.556 1.00 0.00 C ATOM 671 O ALA A 45 -8.758 -3.107 8.026 1.00 0.00 O ATOM 672 CB ALA A 45 -10.449 -0.185 8.085 1.00 0.00 C ATOM 0 H ALA A 45 -8.394 1.154 7.977 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.128 -1.144 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.203 -0.970 8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.702 0.609 8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.419 0.221 7.074 1.00 0.00 H new ATOM 678 N ALA A 46 -8.225 -1.743 6.327 1.00 0.00 N ATOM 679 CA ALA A 46 -7.760 -2.826 5.453 1.00 0.00 C ATOM 680 C ALA A 46 -6.566 -3.579 6.063 1.00 0.00 C ATOM 681 O ALA A 46 -6.541 -4.810 6.064 1.00 0.00 O ATOM 682 CB ALA A 46 -7.402 -2.245 4.081 1.00 0.00 C ATOM 0 H ALA A 46 -8.149 -0.814 5.914 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.564 -3.554 5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.056 -3.045 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.283 -1.774 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.613 -1.502 4.195 1.00 0.00 H new ATOM 688 N ALA A 47 -5.612 -2.849 6.647 1.00 0.00 N ATOM 689 CA ALA A 47 -4.418 -3.416 7.277 1.00 0.00 C ATOM 690 C ALA A 47 -4.756 -4.273 8.509 1.00 0.00 C ATOM 691 O ALA A 47 -4.137 -5.304 8.747 1.00 0.00 O ATOM 692 CB ALA A 47 -3.472 -2.270 7.647 1.00 0.00 C ATOM 0 H ALA A 47 -5.649 -1.831 6.696 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.934 -4.087 6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.576 -2.675 8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.193 -1.724 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.973 -1.594 8.341 1.00 0.00 H new ATOM 698 N THR A 48 -5.789 -3.874 9.256 1.00 0.00 N ATOM 699 CA THR A 48 -6.359 -4.629 10.380 1.00 0.00 C ATOM 700 C THR A 48 -7.088 -5.890 9.897 1.00 0.00 C ATOM 701 O THR A 48 -6.860 -6.978 10.433 1.00 0.00 O ATOM 702 CB THR A 48 -7.330 -3.746 11.185 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.703 -2.544 11.586 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.815 -4.439 12.456 1.00 0.00 C ATOM 0 H THR A 48 -6.268 -2.989 9.092 1.00 0.00 H new ATOM 0 HA THR A 48 -5.533 -4.935 11.021 1.00 0.00 H new ATOM 0 HB THR A 48 -8.173 -3.548 10.523 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.668 -1.925 10.827 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.497 -3.780 12.992 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.333 -5.361 12.193 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.961 -4.672 13.092 1.00 0.00 H new ATOM 712 N ARG A 49 -7.943 -5.781 8.862 1.00 0.00 N ATOM 713 CA ARG A 49 -8.749 -6.905 8.334 1.00 0.00 C ATOM 714 C ARG A 49 -7.930 -7.967 7.591 1.00 0.00 C ATOM 715 O ARG A 49 -8.337 -9.130 7.557 1.00 0.00 O ATOM 716 CB ARG A 49 -9.865 -6.367 7.415 1.00 0.00 C ATOM 717 CG ARG A 49 -10.968 -5.573 8.143 1.00 0.00 C ATOM 718 CD ARG A 49 -11.661 -6.371 9.252 1.00 0.00 C ATOM 719 NE ARG A 49 -12.842 -5.651 9.776 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.653 -6.053 10.742 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.481 -7.182 11.370 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.671 -5.322 11.096 1.00 0.00 N ATOM 0 H ARG A 49 -8.097 -4.905 8.363 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.176 -7.404 9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.416 -5.727 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.324 -7.207 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.533 -4.671 8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.714 -5.252 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.967 -7.343 8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.957 -6.557 10.063 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.054 -4.750 9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.700 -7.790 11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.127 -7.458 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.848 -4.433 10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.291 -5.638 11.841 1.00 0.00 H new ATOM 736 N LEU A 50 -6.783 -7.581 7.030 1.00 0.00 N ATOM 737 CA LEU A 50 -5.909 -8.438 6.215 1.00 0.00 C ATOM 738 C LEU A 50 -4.603 -8.853 6.918 1.00 0.00 C ATOM 739 O LEU A 50 -3.766 -9.498 6.289 1.00 0.00 O ATOM 740 CB LEU A 50 -5.613 -7.725 4.884 1.00 0.00 C ATOM 741 CG LEU A 50 -6.843 -7.399 4.019 1.00 0.00 C ATOM 742 CD1 LEU A 50 -6.377 -6.764 2.705 1.00 0.00 C ATOM 743 CD2 LEU A 50 -7.658 -8.654 3.711 1.00 0.00 C ATOM 0 H LEU A 50 -6.422 -6.633 7.132 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.445 -9.371 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.085 -6.796 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.935 -8.349 4.301 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.479 -6.709 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.244 -6.530 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.826 -5.848 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.729 -7.461 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.519 -8.387 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.036 -9.368 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.001 -9.103 4.643 1.00 0.00 H new ATOM 755 N LYS A 51 -4.420 -8.511 8.202 1.00 0.00 N ATOM 756 CA LYS A 51 -3.157 -8.647 8.954 1.00 0.00 C ATOM 757 C LYS A 51 -2.491 -10.032 8.885 1.00 0.00 C ATOM 758 O LYS A 51 -1.264 -10.124 8.826 1.00 0.00 O ATOM 759 CB LYS A 51 -3.407 -8.189 10.408 1.00 0.00 C ATOM 760 CG LYS A 51 -2.108 -8.022 11.212 1.00 0.00 C ATOM 761 CD LYS A 51 -2.349 -7.535 12.645 1.00 0.00 C ATOM 762 CE LYS A 51 -2.883 -6.093 12.685 1.00 0.00 C ATOM 763 NZ LYS A 51 -3.029 -5.610 14.085 1.00 0.00 N ATOM 0 H LYS A 51 -5.172 -8.118 8.768 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.423 -8.004 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.947 -7.242 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.047 -8.916 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.581 -8.976 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.458 -7.314 10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.060 -8.198 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.417 -7.592 13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.205 -5.436 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.847 -6.046 12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.159 -4.578 14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.856 -6.063 14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.174 -5.851 14.626 1.00 0.00 H new ATOM 777 N GLY A 52 -3.290 -11.103 8.845 1.00 0.00 N ATOM 778 CA GLY A 52 -2.822 -12.497 8.746 1.00 0.00 C ATOM 779 C GLY A 52 -2.433 -12.965 7.336 1.00 0.00 C ATOM 780 O GLY A 52 -1.850 -14.044 7.193 1.00 0.00 O ATOM 0 H GLY A 52 -4.307 -11.027 8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.960 -12.620 9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.606 -13.153 9.124 1.00 0.00 H new ATOM 784 N ILE A 53 -2.737 -12.174 6.295 1.00 0.00 N ATOM 785 CA ILE A 53 -2.613 -12.567 4.878 1.00 0.00 C ATOM 786 C ILE A 53 -1.691 -11.622 4.089 1.00 0.00 C ATOM 787 O ILE A 53 -0.839 -12.094 3.338 1.00 0.00 O ATOM 788 CB ILE A 53 -3.994 -12.667 4.179 1.00 0.00 C ATOM 789 CG1 ILE A 53 -5.142 -13.259 5.033 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.842 -13.489 2.883 1.00 0.00 C ATOM 791 CD1 ILE A 53 -4.977 -14.721 5.460 1.00 0.00 C ATOM 0 H ILE A 53 -3.084 -11.222 6.415 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.158 -13.557 4.882 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.294 -11.637 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.252 -12.650 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.071 -13.168 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.808 -13.565 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.130 -12.996 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.480 -14.488 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.840 -15.027 6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.903 -15.352 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.071 -14.826 6.057 1.00 0.00 H new ATOM 803 N VAL A 54 -1.817 -10.306 4.273 1.00 0.00 N ATOM 804 CA VAL A 54 -0.973 -9.291 3.619 1.00 0.00 C ATOM 805 C VAL A 54 -0.835 -8.031 4.506 1.00 0.00 C ATOM 806 O VAL A 54 -1.847 -7.392 4.824 1.00 0.00 O ATOM 807 CB VAL A 54 -1.491 -8.967 2.197 1.00 0.00 C ATOM 808 CG1 VAL A 54 -2.924 -8.424 2.102 1.00 0.00 C ATOM 809 CG2 VAL A 54 -0.551 -8.001 1.469 1.00 0.00 C ATOM 0 H VAL A 54 -2.521 -9.903 4.892 1.00 0.00 H new ATOM 0 HA VAL A 54 0.030 -9.701 3.498 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.510 -9.945 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.173 -8.235 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.619 -9.156 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.999 -7.495 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.943 -7.793 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.479 -7.070 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.438 -8.451 1.383 1.00 0.00 H new ATOM 819 N PRO A 55 0.385 -7.655 4.938 1.00 0.00 N ATOM 820 CA PRO A 55 0.633 -6.383 5.610 1.00 0.00 C ATOM 821 C PRO A 55 0.603 -5.212 4.615 1.00 0.00 C ATOM 822 O PRO A 55 0.894 -5.373 3.426 1.00 0.00 O ATOM 823 CB PRO A 55 2.008 -6.527 6.263 1.00 0.00 C ATOM 824 CG PRO A 55 2.738 -7.460 5.302 1.00 0.00 C ATOM 825 CD PRO A 55 1.637 -8.385 4.799 1.00 0.00 C ATOM 0 HA PRO A 55 -0.137 -6.162 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.514 -5.566 6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.938 -6.951 7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.204 -6.910 4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.530 -8.015 5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.810 -8.664 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.613 -9.309 5.377 1.00 0.00 H new ATOM 833 N LEU A 56 0.296 -4.018 5.123 1.00 0.00 N ATOM 834 CA LEU A 56 0.116 -2.785 4.350 1.00 0.00 C ATOM 835 C LEU A 56 1.059 -1.692 4.871 1.00 0.00 C ATOM 836 O LEU A 56 1.365 -1.634 6.067 1.00 0.00 O ATOM 837 CB LEU A 56 -1.349 -2.317 4.451 1.00 0.00 C ATOM 838 CG LEU A 56 -2.302 -2.814 3.350 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.498 -4.330 3.326 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.678 -2.187 3.577 1.00 0.00 C ATOM 0 H LEU A 56 0.160 -3.876 6.124 1.00 0.00 H new ATOM 0 HA LEU A 56 0.355 -2.981 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.744 -2.637 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.361 -1.227 4.447 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.846 -2.525 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.183 -4.596 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.538 -4.818 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.913 -4.658 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.366 -2.530 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.056 -2.483 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.595 -1.101 3.533 1.00 0.00 H new ATOM 852 N ALA A 57 1.482 -0.804 3.976 1.00 0.00 N ATOM 853 CA ALA A 57 2.494 0.214 4.231 1.00 0.00 C ATOM 854 C ALA A 57 2.217 1.552 3.517 1.00 0.00 C ATOM 855 O ALA A 57 1.419 1.602 2.582 1.00 0.00 O ATOM 856 CB ALA A 57 3.842 -0.357 3.792 1.00 0.00 C ATOM 0 H ALA A 57 1.118 -0.773 3.024 1.00 0.00 H new ATOM 0 HA ALA A 57 2.485 0.449 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.625 0.381 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.058 -1.260 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.806 -0.600 2.730 1.00 0.00 H new ATOM 862 N LYS A 58 2.919 2.616 3.917 1.00 0.00 N ATOM 863 CA LYS A 58 2.782 3.983 3.385 1.00 0.00 C ATOM 864 C LYS A 58 4.139 4.638 3.115 1.00 0.00 C ATOM 865 O LYS A 58 5.105 4.377 3.837 1.00 0.00 O ATOM 866 CB LYS A 58 2.021 4.865 4.386 1.00 0.00 C ATOM 867 CG LYS A 58 0.627 4.345 4.775 1.00 0.00 C ATOM 868 CD LYS A 58 -0.096 5.285 5.756 1.00 0.00 C ATOM 869 CE LYS A 58 0.702 5.448 7.065 1.00 0.00 C ATOM 870 NZ LYS A 58 0.038 6.358 8.034 1.00 0.00 N ATOM 0 H LYS A 58 3.627 2.551 4.648 1.00 0.00 H new ATOM 0 HA LYS A 58 2.238 3.899 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.621 4.965 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.915 5.863 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.022 4.227 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.723 3.357 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.239 6.260 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.087 4.890 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.838 4.470 7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.695 5.833 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.746 6.740 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.415 7.141 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.683 5.831 8.568 1.00 0.00 H new ATOM 884 N VAL A 59 4.164 5.548 2.139 1.00 0.00 N ATOM 885 CA VAL A 59 5.276 6.459 1.811 1.00 0.00 C ATOM 886 C VAL A 59 4.693 7.814 1.369 1.00 0.00 C ATOM 887 O VAL A 59 3.638 7.864 0.734 1.00 0.00 O ATOM 888 CB VAL A 59 6.171 5.865 0.696 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.345 6.797 0.340 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.787 4.517 1.085 1.00 0.00 C ATOM 0 H VAL A 59 3.366 5.681 1.518 1.00 0.00 H new ATOM 0 HA VAL A 59 5.900 6.596 2.694 1.00 0.00 H new ATOM 0 HB VAL A 59 5.500 5.740 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.946 6.341 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.957 7.754 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.963 6.957 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.404 4.149 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.403 4.642 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.992 3.800 1.291 1.00 0.00 H new ATOM 900 N ASP A 60 5.375 8.924 1.671 1.00 0.00 N ATOM 901 CA ASP A 60 4.882 10.279 1.371 1.00 0.00 C ATOM 902 C ASP A 60 5.679 10.949 0.241 1.00 0.00 C ATOM 903 O ASP A 60 6.892 11.140 0.329 1.00 0.00 O ATOM 904 CB ASP A 60 4.901 11.137 2.644 1.00 0.00 C ATOM 905 CG ASP A 60 3.827 10.697 3.655 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.636 11.030 3.446 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.179 10.058 4.677 1.00 0.00 O ATOM 0 H ASP A 60 6.285 8.912 2.131 1.00 0.00 H new ATOM 0 HA ASP A 60 3.855 10.190 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.884 11.072 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.742 12.182 2.379 1.00 0.00 H new ATOM 912 N CYS A 61 4.985 11.346 -0.832 1.00 0.00 N ATOM 913 CA CYS A 61 5.553 12.014 -2.000 1.00 0.00 C ATOM 914 C CYS A 61 6.176 13.386 -1.677 1.00 0.00 C ATOM 915 O CYS A 61 7.194 13.752 -2.261 1.00 0.00 O ATOM 916 CB CYS A 61 4.442 12.153 -3.051 1.00 0.00 C ATOM 917 SG CYS A 61 5.021 12.694 -4.682 1.00 0.00 S ATOM 0 H CYS A 61 3.978 11.204 -0.910 1.00 0.00 H new ATOM 0 HA CYS A 61 6.375 11.406 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.937 11.193 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.701 12.865 -2.687 1.00 0.00 H new ATOM 922 N THR A 62 5.609 14.136 -0.720 1.00 0.00 N ATOM 923 CA THR A 62 6.213 15.401 -0.250 1.00 0.00 C ATOM 924 C THR A 62 7.510 15.170 0.541 1.00 0.00 C ATOM 925 O THR A 62 8.443 15.977 0.475 1.00 0.00 O ATOM 926 CB THR A 62 5.206 16.233 0.567 1.00 0.00 C ATOM 927 OG1 THR A 62 5.688 17.549 0.730 1.00 0.00 O ATOM 928 CG2 THR A 62 4.898 15.688 1.960 1.00 0.00 C ATOM 0 H THR A 62 4.735 13.893 -0.254 1.00 0.00 H new ATOM 0 HA THR A 62 6.480 15.971 -1.140 1.00 0.00 H new ATOM 0 HB THR A 62 4.283 16.191 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.042 18.072 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.180 16.342 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.477 14.686 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.816 15.647 2.546 1.00 0.00 H new ATOM 936 N ALA A 63 7.605 14.043 1.263 1.00 0.00 N ATOM 937 CA ALA A 63 8.800 13.668 2.023 1.00 0.00 C ATOM 938 C ALA A 63 9.931 13.140 1.117 1.00 0.00 C ATOM 939 O ALA A 63 11.101 13.446 1.360 1.00 0.00 O ATOM 940 CB ALA A 63 8.408 12.633 3.082 1.00 0.00 C ATOM 0 H ALA A 63 6.848 13.364 1.334 1.00 0.00 H new ATOM 0 HA ALA A 63 9.196 14.560 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.290 12.346 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.664 13.063 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.990 11.753 2.593 1.00 0.00 H new ATOM 946 N ASN A 64 9.591 12.384 0.059 1.00 0.00 N ATOM 947 CA ASN A 64 10.533 11.796 -0.900 1.00 0.00 C ATOM 948 C ASN A 64 10.011 11.873 -2.344 1.00 0.00 C ATOM 949 O ASN A 64 9.487 10.913 -2.914 1.00 0.00 O ATOM 950 CB ASN A 64 10.862 10.351 -0.520 1.00 0.00 C ATOM 951 CG ASN A 64 11.490 10.221 0.857 1.00 0.00 C ATOM 952 OD1 ASN A 64 12.641 10.558 1.083 1.00 0.00 O ATOM 953 ND2 ASN A 64 10.750 9.717 1.821 1.00 0.00 N ATOM 0 H ASN A 64 8.620 12.160 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 64 11.449 12.386 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.949 9.757 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.541 9.933 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.138 9.608 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.788 9.436 1.631 1.00 0.00 H new ATOM 960 N THR A 65 10.164 13.046 -2.945 1.00 0.00 N ATOM 961 CA THR A 65 9.584 13.383 -4.261 1.00 0.00 C ATOM 962 C THR A 65 10.374 12.727 -5.394 1.00 0.00 C ATOM 963 O THR A 65 9.789 12.273 -6.377 1.00 0.00 O ATOM 964 CB THR A 65 9.521 14.911 -4.458 1.00 0.00 C ATOM 965 OG1 THR A 65 9.010 15.532 -3.297 1.00 0.00 O ATOM 966 CG2 THR A 65 8.603 15.301 -5.617 1.00 0.00 C ATOM 0 H THR A 65 10.701 13.810 -2.534 1.00 0.00 H new ATOM 0 HA THR A 65 8.567 12.992 -4.287 1.00 0.00 H new ATOM 0 HB THR A 65 10.539 15.238 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.261 15.006 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.588 16.386 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.972 14.854 -6.540 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.593 14.942 -5.418 1.00 0.00 H new ATOM 974 N ASN A 66 11.689 12.590 -5.220 1.00 0.00 N ATOM 975 CA ASN A 66 12.566 11.842 -6.119 1.00 0.00 C ATOM 976 C ASN A 66 12.163 10.363 -6.258 1.00 0.00 C ATOM 977 O ASN A 66 12.037 9.858 -7.369 1.00 0.00 O ATOM 978 CB ASN A 66 14.022 12.051 -5.643 1.00 0.00 C ATOM 979 CG ASN A 66 14.350 11.654 -4.205 1.00 0.00 C ATOM 980 OD1 ASN A 66 13.566 11.081 -3.461 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.527 11.998 -3.743 1.00 0.00 N ATOM 0 H ASN A 66 12.185 13.006 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 66 12.468 12.225 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.678 11.488 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.270 13.105 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.777 11.787 -2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.193 12.476 -4.350 1.00 0.00 H new ATOM 988 N THR A 67 11.863 9.703 -5.138 1.00 0.00 N ATOM 989 CA THR A 67 11.361 8.318 -5.091 1.00 0.00 C ATOM 990 C THR A 67 9.962 8.247 -5.696 1.00 0.00 C ATOM 991 O THR A 67 9.686 7.382 -6.516 1.00 0.00 O ATOM 992 CB THR A 67 11.352 7.790 -3.643 1.00 0.00 C ATOM 993 OG1 THR A 67 12.652 7.862 -3.092 1.00 0.00 O ATOM 994 CG2 THR A 67 10.912 6.328 -3.535 1.00 0.00 C ATOM 0 H THR A 67 11.963 10.122 -4.213 1.00 0.00 H new ATOM 0 HA THR A 67 12.029 7.687 -5.677 1.00 0.00 H new ATOM 0 HB THR A 67 10.639 8.417 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.636 7.526 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.928 6.019 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.901 6.222 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.593 5.700 -4.109 1.00 0.00 H new ATOM 1002 N CYS A 68 9.098 9.214 -5.370 1.00 0.00 N ATOM 1003 CA CYS A 68 7.725 9.300 -5.875 1.00 0.00 C ATOM 1004 C CYS A 68 7.685 9.356 -7.418 1.00 0.00 C ATOM 1005 O CYS A 68 6.934 8.619 -8.052 1.00 0.00 O ATOM 1006 CB CYS A 68 7.101 10.534 -5.208 1.00 0.00 C ATOM 1007 SG CYS A 68 5.403 10.950 -5.652 1.00 0.00 S ATOM 0 H CYS A 68 9.339 9.974 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 68 7.150 8.409 -5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.141 10.389 -4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.729 11.395 -5.438 1.00 0.00 H new ATOM 1012 N ASN A 69 8.544 10.177 -8.033 1.00 0.00 N ATOM 1013 CA ASN A 69 8.585 10.342 -9.496 1.00 0.00 C ATOM 1014 C ASN A 69 9.301 9.177 -10.196 1.00 0.00 C ATOM 1015 O ASN A 69 8.863 8.751 -11.270 1.00 0.00 O ATOM 1016 CB ASN A 69 9.210 11.701 -9.855 1.00 0.00 C ATOM 1017 CG ASN A 69 8.227 12.837 -9.633 1.00 0.00 C ATOM 1018 OD1 ASN A 69 7.758 13.485 -10.561 1.00 0.00 O ATOM 1019 ND2 ASN A 69 7.860 13.078 -8.398 1.00 0.00 N ATOM 0 H ASN A 69 9.229 10.745 -7.535 1.00 0.00 H new ATOM 0 HA ASN A 69 7.560 10.326 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.101 11.865 -9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.530 11.693 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.178 13.811 -8.202 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.256 12.533 -7.633 1.00 0.00 H new ATOM 1026 N LYS A 70 10.342 8.611 -9.566 1.00 0.00 N ATOM 1027 CA LYS A 70 10.989 7.367 -10.009 1.00 0.00 C ATOM 1028 C LYS A 70 10.031 6.163 -10.014 1.00 0.00 C ATOM 1029 O LYS A 70 10.194 5.256 -10.827 1.00 0.00 O ATOM 1030 CB LYS A 70 12.230 7.128 -9.124 1.00 0.00 C ATOM 1031 CG LYS A 70 13.079 5.923 -9.553 1.00 0.00 C ATOM 1032 CD LYS A 70 14.324 5.795 -8.656 1.00 0.00 C ATOM 1033 CE LYS A 70 15.173 4.568 -9.003 1.00 0.00 C ATOM 1034 NZ LYS A 70 15.861 4.702 -10.317 1.00 0.00 N ATOM 0 H LYS A 70 10.762 9.009 -8.726 1.00 0.00 H new ATOM 0 HA LYS A 70 11.297 7.476 -11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.853 8.022 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.906 6.983 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.484 5.011 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.383 6.037 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.933 6.694 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.012 5.734 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.917 4.412 -8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.537 3.683 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.422 3.846 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.153 4.823 -11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.490 5.530 -10.297 1.00 0.00 H new ATOM 1048 N TYR A 71 9.021 6.173 -9.140 1.00 0.00 N ATOM 1049 CA TYR A 71 8.093 5.033 -8.948 1.00 0.00 C ATOM 1050 C TYR A 71 6.799 5.171 -9.766 1.00 0.00 C ATOM 1051 O TYR A 71 5.996 4.235 -9.825 1.00 0.00 O ATOM 1052 CB TYR A 71 7.809 4.810 -7.452 1.00 0.00 C ATOM 1053 CG TYR A 71 8.882 4.017 -6.717 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.242 4.353 -6.854 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.520 2.918 -5.915 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.240 3.605 -6.201 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.509 2.166 -5.251 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.874 2.506 -5.396 1.00 0.00 C ATOM 1059 OH TYR A 71 11.828 1.770 -4.766 1.00 0.00 O ATOM 0 H TYR A 71 8.815 6.971 -8.539 1.00 0.00 H new ATOM 0 HA TYR A 71 8.592 4.144 -9.334 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.696 5.780 -6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.856 4.290 -7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.524 5.196 -7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.479 2.650 -5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.280 3.871 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.224 1.329 -4.631 1.00 0.00 H new ATOM 0 HH TYR A 71 11.402 1.052 -4.253 1.00 0.00 H new ATOM 1069 N GLY A 72 6.612 6.316 -10.424 1.00 0.00 N ATOM 1070 CA GLY A 72 5.516 6.579 -11.364 1.00 0.00 C ATOM 1071 C GLY A 72 4.295 7.248 -10.726 1.00 0.00 C ATOM 1072 O GLY A 72 3.223 7.295 -11.335 1.00 0.00 O ATOM 0 H GLY A 72 7.239 7.113 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.886 7.214 -12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.206 5.637 -11.817 1.00 0.00 H new ATOM 1076 N VAL A 73 4.436 7.756 -9.500 1.00 0.00 N ATOM 1077 CA VAL A 73 3.375 8.366 -8.672 1.00 0.00 C ATOM 1078 C VAL A 73 3.118 9.824 -9.111 1.00 0.00 C ATOM 1079 O VAL A 73 3.275 10.789 -8.364 1.00 0.00 O ATOM 1080 CB VAL A 73 3.721 8.199 -7.177 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.600 8.673 -6.239 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.041 6.739 -6.821 1.00 0.00 C ATOM 0 H VAL A 73 5.339 7.756 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 73 2.427 7.849 -8.823 1.00 0.00 H new ATOM 0 HB VAL A 73 4.599 8.827 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.907 8.528 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.402 9.730 -6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.695 8.097 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.279 6.667 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.177 6.113 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.895 6.400 -7.408 1.00 0.00 H new ATOM 1092 N SER A 74 2.755 9.984 -10.385 1.00 0.00 N ATOM 1093 CA SER A 74 2.376 11.276 -11.003 1.00 0.00 C ATOM 1094 C SER A 74 0.979 11.791 -10.587 1.00 0.00 C ATOM 1095 O SER A 74 0.578 12.876 -11.015 1.00 0.00 O ATOM 1096 CB SER A 74 2.444 11.170 -12.533 1.00 0.00 C ATOM 1097 OG SER A 74 3.767 10.882 -12.973 1.00 0.00 O ATOM 0 H SER A 74 2.712 9.204 -11.041 1.00 0.00 H new ATOM 0 HA SER A 74 3.098 12.003 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.766 10.388 -12.876 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.105 12.105 -12.980 1.00 0.00 H new ATOM 0 HG SER A 74 3.780 10.818 -13.951 1.00 0.00 H new ATOM 1103 N GLY A 75 0.218 11.031 -9.783 1.00 0.00 N ATOM 1104 CA GLY A 75 -1.186 11.312 -9.453 1.00 0.00 C ATOM 1105 C GLY A 75 -1.723 10.505 -8.262 1.00 0.00 C ATOM 1106 O GLY A 75 -2.669 9.732 -8.410 1.00 0.00 O ATOM 0 H GLY A 75 0.571 10.185 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.291 12.375 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.803 11.103 -10.327 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.083 10.644 -7.091 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.464 9.972 -5.842 1.00 0.00 C ATOM 1112 C TYR A 76 -2.925 10.242 -5.391 1.00 0.00 C ATOM 1113 O TYR A 76 -3.489 11.290 -5.747 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.456 10.307 -4.731 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.063 11.764 -4.566 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.806 12.632 -3.742 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.099 12.241 -5.205 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.381 13.962 -3.555 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.530 13.562 -5.015 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.792 14.431 -4.184 1.00 0.00 C ATOM 1121 OH TYR A 76 1.212 15.712 -3.990 1.00 0.00 O ATOM 0 H TYR A 76 -0.264 11.243 -6.985 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.432 8.902 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.869 9.959 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.451 9.731 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.702 12.278 -3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.664 11.582 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.956 14.626 -2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.426 13.914 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 76 2.037 15.866 -4.497 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.557 9.345 -4.594 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.016 8.109 -4.008 1.00 0.00 C ATOM 1133 C PRO A 77 -2.734 7.015 -5.044 1.00 0.00 C ATOM 1134 O PRO A 77 -3.552 6.741 -5.926 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.069 7.636 -2.994 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.371 8.183 -3.568 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.948 9.509 -4.186 1.00 0.00 C ATOM 0 HA PRO A 77 -2.049 8.311 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.090 6.549 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.872 8.028 -1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.798 7.510 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.126 8.322 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.577 9.758 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.049 10.323 -3.468 1.00 0.00 H new ATOM 1145 N THR A 78 -1.581 6.363 -4.913 1.00 0.00 N ATOM 1146 CA THR A 78 -1.104 5.308 -5.822 1.00 0.00 C ATOM 1147 C THR A 78 -0.623 4.111 -5.011 1.00 0.00 C ATOM 1148 O THR A 78 0.367 4.203 -4.286 1.00 0.00 O ATOM 1149 CB THR A 78 0.023 5.811 -6.745 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.392 6.940 -7.481 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.478 4.762 -7.761 1.00 0.00 C ATOM 0 H THR A 78 -0.930 6.555 -4.152 1.00 0.00 H new ATOM 0 HA THR A 78 -1.938 5.011 -6.458 1.00 0.00 H new ATOM 0 HB THR A 78 0.851 6.051 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.340 7.242 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.273 5.177 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.850 3.883 -7.235 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.364 4.478 -8.392 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.337 2.989 -5.113 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.001 1.759 -4.400 1.00 0.00 C ATOM 1161 C LEU A 79 -0.198 0.811 -5.307 1.00 0.00 C ATOM 1162 O LEU A 79 -0.573 0.591 -6.466 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.277 1.085 -3.861 1.00 0.00 C ATOM 1164 CG LEU A 79 -2.943 1.763 -2.644 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -3.815 2.960 -3.023 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.853 0.751 -1.950 1.00 0.00 C ATOM 0 H LEU A 79 -2.170 2.909 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.371 2.008 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.007 1.038 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.034 0.058 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.134 2.114 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.253 3.390 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.204 3.711 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.610 2.633 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.328 1.220 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.619 0.412 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.262 -0.102 -1.618 1.00 0.00 H new ATOM 1178 N LYS A 80 0.889 0.223 -4.790 1.00 0.00 N ATOM 1179 CA LYS A 80 1.839 -0.622 -5.538 1.00 0.00 C ATOM 1180 C LYS A 80 2.120 -1.953 -4.831 1.00 0.00 C ATOM 1181 O LYS A 80 2.014 -2.064 -3.608 1.00 0.00 O ATOM 1182 CB LYS A 80 3.135 0.154 -5.844 1.00 0.00 C ATOM 1183 CG LYS A 80 2.890 1.466 -6.619 1.00 0.00 C ATOM 1184 CD LYS A 80 4.099 1.897 -7.463 1.00 0.00 C ATOM 1185 CE LYS A 80 4.113 1.125 -8.795 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.313 1.446 -9.606 1.00 0.00 N ATOM 0 H LYS A 80 1.143 0.324 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 80 1.370 -0.879 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.644 0.383 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.804 -0.483 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.025 1.341 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.645 2.259 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.055 2.969 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.022 1.709 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.086 0.054 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.215 1.366 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.163 1.133 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.477 2.473 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.141 0.958 -9.209 1.00 0.00 H new ATOM 1200 N ILE A 81 2.484 -2.963 -5.626 1.00 0.00 N ATOM 1201 CA ILE A 81 2.577 -4.373 -5.224 1.00 0.00 C ATOM 1202 C ILE A 81 3.988 -4.930 -5.445 1.00 0.00 C ATOM 1203 O ILE A 81 4.584 -4.748 -6.511 1.00 0.00 O ATOM 1204 CB ILE A 81 1.536 -5.196 -6.021 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.110 -4.755 -5.633 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.683 -6.714 -5.778 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.982 -5.326 -6.546 1.00 0.00 C ATOM 0 H ILE A 81 2.732 -2.818 -6.605 1.00 0.00 H new ATOM 0 HA ILE A 81 2.366 -4.447 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 81 1.716 -5.007 -7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.089 -5.063 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.057 -3.667 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.932 -7.250 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.677 -7.037 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.544 -6.928 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.957 -4.973 -6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.808 -4.997 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.957 -6.415 -6.506 1.00 0.00 H new ATOM 1219 N PHE A 82 4.492 -5.641 -4.436 1.00 0.00 N ATOM 1220 CA PHE A 82 5.860 -6.173 -4.384 1.00 0.00 C ATOM 1221 C PHE A 82 5.875 -7.650 -3.969 1.00 0.00 C ATOM 1222 O PHE A 82 5.858 -7.982 -2.780 1.00 0.00 O ATOM 1223 CB PHE A 82 6.723 -5.322 -3.443 1.00 0.00 C ATOM 1224 CG PHE A 82 6.951 -3.893 -3.898 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.939 -2.929 -3.763 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.193 -3.529 -4.452 1.00 0.00 C ATOM 1227 CE1 PHE A 82 6.158 -1.616 -4.213 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.416 -2.213 -4.888 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.393 -1.258 -4.782 1.00 0.00 C ATOM 0 H PHE A 82 3.946 -5.871 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 82 6.284 -6.119 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.252 -5.304 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.691 -5.808 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.994 -3.196 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.978 -4.265 -4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.374 -0.879 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.373 -1.936 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.554 -0.251 -5.137 1.00 0.00 H new ATOM 1239 N ARG A 83 5.880 -8.550 -4.954 1.00 0.00 N ATOM 1240 CA ARG A 83 6.008 -10.010 -4.750 1.00 0.00 C ATOM 1241 C ARG A 83 7.411 -10.358 -4.242 1.00 0.00 C ATOM 1242 O ARG A 83 8.409 -9.953 -4.838 1.00 0.00 O ATOM 1243 CB ARG A 83 5.678 -10.755 -6.051 1.00 0.00 C ATOM 1244 CG ARG A 83 5.538 -12.266 -5.812 1.00 0.00 C ATOM 1245 CD ARG A 83 5.260 -13.042 -7.102 1.00 0.00 C ATOM 1246 NE ARG A 83 6.444 -13.099 -7.981 1.00 0.00 N ATOM 1247 CZ ARG A 83 6.540 -13.760 -9.125 1.00 0.00 C ATOM 1248 NH1 ARG A 83 5.549 -14.445 -9.622 1.00 0.00 N ATOM 1249 NH2 ARG A 83 7.660 -13.741 -9.791 1.00 0.00 N ATOM 0 H ARG A 83 5.794 -8.289 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 83 5.294 -10.329 -3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.751 -10.364 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.462 -10.572 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.452 -12.644 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.729 -12.445 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.944 -14.055 -6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.434 -12.572 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 83 7.268 -12.579 -7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.658 -14.486 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.664 -14.940 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.459 -13.218 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.738 -14.249 -10.672 1.00 0.00 H new ATOM 1263 N ASP A 84 7.486 -11.093 -3.136 1.00 0.00 N ATOM 1264 CA ASP A 84 8.738 -11.407 -2.417 1.00 0.00 C ATOM 1265 C ASP A 84 9.627 -10.168 -2.140 1.00 0.00 C ATOM 1266 O ASP A 84 10.861 -10.237 -2.142 1.00 0.00 O ATOM 1267 CB ASP A 84 9.466 -12.557 -3.142 1.00 0.00 C ATOM 1268 CG ASP A 84 10.578 -13.203 -2.298 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.367 -13.458 -1.085 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.661 -13.524 -2.852 1.00 0.00 O ATOM 0 H ASP A 84 6.662 -11.502 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 84 8.482 -11.750 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.739 -13.321 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.897 -12.178 -4.069 1.00 0.00 H new ATOM 1275 N GLY A 85 8.998 -9.001 -1.945 1.00 0.00 N ATOM 1276 CA GLY A 85 9.678 -7.716 -1.728 1.00 0.00 C ATOM 1277 C GLY A 85 10.349 -7.086 -2.963 1.00 0.00 C ATOM 1278 O GLY A 85 11.285 -6.292 -2.821 1.00 0.00 O ATOM 0 H GLY A 85 7.981 -8.922 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.951 -7.006 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.438 -7.856 -0.959 1.00 0.00 H new ATOM 1282 N GLU A 86 9.870 -7.403 -4.166 1.00 0.00 N ATOM 1283 CA GLU A 86 10.325 -6.837 -5.451 1.00 0.00 C ATOM 1284 C GLU A 86 9.111 -6.508 -6.335 1.00 0.00 C ATOM 1285 O GLU A 86 8.142 -7.266 -6.369 1.00 0.00 O ATOM 1286 CB GLU A 86 11.255 -7.810 -6.188 1.00 0.00 C ATOM 1287 CG GLU A 86 12.593 -8.030 -5.467 1.00 0.00 C ATOM 1288 CD GLU A 86 13.557 -8.867 -6.328 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.538 -10.120 -6.232 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.341 -8.279 -7.111 1.00 0.00 O ATOM 0 H GLU A 86 9.124 -8.088 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 86 10.883 -5.925 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.750 -8.769 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.448 -7.429 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.049 -7.067 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.419 -8.534 -4.517 1.00 0.00 H new ATOM 1297 N GLU A 87 9.126 -5.362 -7.024 1.00 0.00 N ATOM 1298 CA GLU A 87 7.950 -4.824 -7.729 1.00 0.00 C ATOM 1299 C GLU A 87 7.355 -5.839 -8.726 1.00 0.00 C ATOM 1300 O GLU A 87 8.071 -6.371 -9.587 1.00 0.00 O ATOM 1301 CB GLU A 87 8.317 -3.504 -8.424 1.00 0.00 C ATOM 1302 CG GLU A 87 7.070 -2.766 -8.926 1.00 0.00 C ATOM 1303 CD GLU A 87 7.448 -1.451 -9.631 1.00 0.00 C ATOM 1304 OE1 GLU A 87 7.834 -1.490 -10.823 1.00 0.00 O ATOM 1305 OE2 GLU A 87 7.330 -0.364 -9.014 1.00 0.00 O ATOM 0 H GLU A 87 9.957 -4.776 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 87 7.173 -4.628 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.863 -2.866 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.983 -3.706 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.518 -3.406 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.407 -2.554 -8.087 1.00 0.00 H new ATOM 1312 N ALA A 88 6.042 -6.090 -8.630 1.00 0.00 N ATOM 1313 CA ALA A 88 5.315 -7.030 -9.495 1.00 0.00 C ATOM 1314 C ALA A 88 4.235 -6.311 -10.321 1.00 0.00 C ATOM 1315 O ALA A 88 3.765 -6.839 -11.330 1.00 0.00 O ATOM 1316 CB ALA A 88 4.743 -8.157 -8.629 1.00 0.00 C ATOM 0 H ALA A 88 5.445 -5.638 -7.937 1.00 0.00 H new ATOM 0 HA ALA A 88 5.999 -7.468 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.201 -8.861 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.557 -8.676 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.063 -7.737 -7.887 1.00 0.00 H new ATOM 1322 N GLY A 89 3.872 -5.086 -9.917 1.00 0.00 N ATOM 1323 CA GLY A 89 3.035 -4.179 -10.701 1.00 0.00 C ATOM 1324 C GLY A 89 2.456 -3.065 -9.833 1.00 0.00 C ATOM 1325 O GLY A 89 3.177 -2.274 -9.220 1.00 0.00 O ATOM 0 H GLY A 89 4.159 -4.694 -9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.624 -3.744 -11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.224 -4.740 -11.165 1.00 0.00 H new ATOM 1329 N ALA A 90 1.131 -3.023 -9.797 1.00 0.00 N ATOM 1330 CA ALA A 90 0.326 -1.997 -9.136 1.00 0.00 C ATOM 1331 C ALA A 90 -1.106 -2.476 -8.841 1.00 0.00 C ATOM 1332 O ALA A 90 -1.639 -3.374 -9.503 1.00 0.00 O ATOM 1333 CB ALA A 90 0.307 -0.746 -10.023 1.00 0.00 C ATOM 0 H ALA A 90 0.558 -3.736 -10.249 1.00 0.00 H new ATOM 0 HA ALA A 90 0.778 -1.770 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.290 0.030 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.326 -0.385 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.128 -0.993 -10.991 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.740 -1.852 -7.852 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.150 -2.054 -7.516 1.00 0.00 C ATOM 1341 C TYR A 91 -4.093 -1.525 -8.623 1.00 0.00 C ATOM 1342 O TYR A 91 -3.752 -0.591 -9.358 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.404 -1.323 -6.194 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.830 -1.368 -5.683 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.323 -2.534 -5.063 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.660 -0.244 -5.842 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.657 -2.578 -4.612 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.991 -0.288 -5.394 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.497 -1.460 -4.794 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.796 -1.507 -4.401 1.00 0.00 O ATOM 0 H TYR A 91 -1.278 -1.175 -7.246 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.360 -3.120 -7.425 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.751 -1.749 -5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.113 -0.279 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.680 -3.392 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.275 0.651 -6.308 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.036 -3.466 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.628 0.577 -5.509 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.106 -2.437 -4.408 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.296 -2.098 -8.725 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.348 -1.684 -9.666 1.00 0.00 C ATOM 1362 C ASP A 92 -7.740 -1.995 -9.080 1.00 0.00 C ATOM 1363 O ASP A 92 -8.235 -3.127 -9.166 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.139 -2.369 -11.030 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.219 -1.980 -12.056 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.640 -0.795 -12.090 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.635 -2.852 -12.861 1.00 0.00 O ATOM 0 H ASP A 92 -5.575 -2.885 -8.140 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.288 -0.607 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.157 -2.101 -11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.144 -3.451 -10.894 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.362 -0.994 -8.448 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.645 -1.134 -7.748 1.00 0.00 C ATOM 1374 C GLY A 93 -10.147 0.167 -7.087 1.00 0.00 C ATOM 1375 O GLY A 93 -9.600 1.242 -7.353 1.00 0.00 O ATOM 0 H GLY A 93 -7.983 -0.048 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.397 -1.483 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.547 -1.904 -6.982 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.193 0.090 -6.234 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.863 1.237 -5.598 1.00 0.00 C ATOM 1381 C PRO A 94 -11.013 2.249 -4.795 1.00 0.00 C ATOM 1382 O PRO A 94 -11.486 3.366 -4.567 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.911 0.613 -4.674 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.271 -0.702 -5.355 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.947 -1.137 -5.972 1.00 0.00 C ATOM 0 HA PRO A 94 -12.238 1.861 -6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.512 0.448 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.783 1.258 -4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.646 -1.437 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.045 -0.567 -6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.399 -1.793 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.112 -1.696 -6.893 1.00 0.00 H new ATOM 1393 N ARG A 95 -9.798 1.882 -4.350 1.00 0.00 N ATOM 1394 CA ARG A 95 -8.962 2.656 -3.395 1.00 0.00 C ATOM 1395 C ARG A 95 -9.712 3.008 -2.093 1.00 0.00 C ATOM 1396 O ARG A 95 -9.660 4.132 -1.591 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.304 3.884 -4.071 1.00 0.00 C ATOM 1398 CG ARG A 95 -7.376 3.517 -5.242 1.00 0.00 C ATOM 1399 CD ARG A 95 -6.633 4.741 -5.807 1.00 0.00 C ATOM 1400 NE ARG A 95 -7.562 5.664 -6.496 1.00 0.00 N ATOM 1401 CZ ARG A 95 -7.259 6.774 -7.149 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -6.045 7.243 -7.235 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -8.197 7.456 -7.744 1.00 0.00 N ATOM 0 H ARG A 95 -9.352 1.015 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.147 2.001 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.086 4.552 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.733 4.437 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.649 2.776 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.962 3.053 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.128 5.268 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.862 4.411 -6.503 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.551 5.416 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.274 6.749 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.866 8.104 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.164 7.134 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.964 8.312 -8.248 1.00 0.00 H new ATOM 1417 N THR A 96 -10.410 2.011 -1.547 1.00 0.00 N ATOM 1418 CA THR A 96 -11.141 2.033 -0.258 1.00 0.00 C ATOM 1419 C THR A 96 -10.929 0.709 0.478 1.00 0.00 C ATOM 1420 O THR A 96 -10.534 -0.271 -0.151 1.00 0.00 O ATOM 1421 CB THR A 96 -12.659 2.219 -0.454 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.191 1.212 -1.287 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.020 3.576 -1.047 1.00 0.00 C ATOM 0 H THR A 96 -10.491 1.107 -2.013 1.00 0.00 H new ATOM 0 HA THR A 96 -10.750 2.875 0.313 1.00 0.00 H new ATOM 0 HB THR A 96 -13.093 2.153 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.155 1.352 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.102 3.647 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.672 4.367 -0.383 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.544 3.685 -2.022 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.193 0.646 1.786 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.959 -0.544 2.613 1.00 0.00 C ATOM 1433 C ALA A 97 -11.542 -1.839 2.007 1.00 0.00 C ATOM 1434 O ALA A 97 -10.855 -2.857 1.911 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.552 -0.301 4.010 1.00 0.00 C ATOM 0 H ALA A 97 -11.581 1.431 2.309 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.881 -0.696 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.384 -1.179 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.070 0.565 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.623 -0.116 3.924 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.797 -1.778 1.541 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.503 -2.901 0.899 1.00 0.00 C ATOM 1443 C ASP A 98 -12.882 -3.281 -0.457 1.00 0.00 C ATOM 1444 O ASP A 98 -12.865 -4.457 -0.823 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.983 -2.536 0.697 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.738 -2.444 2.026 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -16.023 -3.504 2.633 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.074 -1.314 2.465 1.00 0.00 O ATOM 0 H ASP A 98 -13.363 -0.931 1.600 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.411 -3.763 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.053 -1.582 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.457 -3.284 0.062 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.305 -2.310 -1.170 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.585 -2.524 -2.420 1.00 0.00 C ATOM 1455 C GLY A 99 -10.232 -3.205 -2.231 1.00 0.00 C ATOM 1456 O GLY A 99 -9.781 -3.899 -3.147 1.00 0.00 O ATOM 0 H GLY A 99 -12.328 -1.331 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.199 -3.131 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.434 -1.564 -2.913 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.580 -3.049 -1.072 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.340 -3.780 -0.753 1.00 0.00 C ATOM 1462 C ILE A 100 -8.659 -5.230 -0.372 1.00 0.00 C ATOM 1463 O ILE A 100 -8.044 -6.164 -0.887 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.537 -3.119 0.391 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.437 -1.578 0.345 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -6.126 -3.731 0.406 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.946 -0.977 -0.981 1.00 0.00 C ATOM 0 H ILE A 100 -9.891 -2.419 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.723 -3.754 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.094 -3.326 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.420 -1.163 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.766 -1.253 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.541 -3.278 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.197 -4.806 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.638 -3.543 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.915 0.109 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.947 -1.353 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.627 -1.261 -1.783 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.654 -5.433 0.499 1.00 0.00 N ATOM 1480 CA VAL A 101 -10.136 -6.764 0.904 1.00 0.00 C ATOM 1481 C VAL A 101 -10.624 -7.565 -0.298 1.00 0.00 C ATOM 1482 O VAL A 101 -10.207 -8.705 -0.476 1.00 0.00 O ATOM 1483 CB VAL A 101 -11.222 -6.637 1.990 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.821 -7.994 2.383 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.648 -6.005 3.265 1.00 0.00 C ATOM 0 H VAL A 101 -10.156 -4.668 0.950 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.300 -7.316 1.334 1.00 0.00 H new ATOM 0 HB VAL A 101 -12.001 -6.009 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.581 -7.848 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -12.275 -8.459 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -11.034 -8.641 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -11.433 -5.926 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.840 -6.628 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.262 -5.011 3.037 1.00 0.00 H new ATOM 1495 N SER A 102 -11.418 -6.953 -1.177 1.00 0.00 N ATOM 1496 CA SER A 102 -11.898 -7.589 -2.421 1.00 0.00 C ATOM 1497 C SER A 102 -10.751 -8.017 -3.353 1.00 0.00 C ATOM 1498 O SER A 102 -10.758 -9.137 -3.864 1.00 0.00 O ATOM 1499 CB SER A 102 -12.839 -6.649 -3.189 1.00 0.00 C ATOM 1500 OG SER A 102 -13.969 -6.295 -2.408 1.00 0.00 O ATOM 0 H SER A 102 -11.752 -5.997 -1.053 1.00 0.00 H new ATOM 0 HA SER A 102 -12.435 -8.486 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.298 -5.748 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.168 -7.133 -4.109 1.00 0.00 H new ATOM 0 HG SER A 102 -13.715 -5.608 -1.757 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.731 -7.165 -3.524 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.512 -7.473 -4.278 1.00 0.00 C ATOM 1508 C HIS A 103 -7.719 -8.648 -3.664 1.00 0.00 C ATOM 1509 O HIS A 103 -7.165 -9.469 -4.400 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.667 -6.189 -4.361 1.00 0.00 C ATOM 1511 CG HIS A 103 -6.254 -6.384 -4.845 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.820 -6.405 -6.152 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -5.148 -6.498 -4.048 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.480 -6.541 -6.143 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -4.023 -6.611 -4.881 1.00 0.00 N ATOM 0 H HIS A 103 -9.732 -6.223 -3.133 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.782 -7.804 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.168 -5.485 -5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.636 -5.729 -3.374 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.141 -6.501 -2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.860 -6.587 -7.026 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.053 -6.724 -4.587 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.695 -8.778 -2.332 1.00 0.00 N ATOM 1524 CA LEU A 104 -7.032 -9.873 -1.622 1.00 0.00 C ATOM 1525 C LEU A 104 -7.803 -11.206 -1.711 1.00 0.00 C ATOM 1526 O LEU A 104 -7.207 -12.239 -2.020 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.779 -9.392 -0.179 1.00 0.00 C ATOM 1528 CG LEU A 104 -6.002 -10.336 0.759 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.872 -11.449 1.339 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.745 -10.924 0.119 1.00 0.00 C ATOM 0 H LEU A 104 -8.146 -8.110 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.080 -10.109 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.238 -8.447 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.745 -9.182 0.280 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.682 -9.698 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.268 -12.080 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.689 -11.011 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.281 -12.051 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.246 -11.579 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.021 -11.496 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.070 -10.117 -0.166 1.00 0.00 H new ATOM 1542 N LYS A 105 -9.132 -11.209 -1.517 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.971 -12.430 -1.607 1.00 0.00 C ATOM 1544 C LYS A 105 -9.850 -13.158 -2.949 1.00 0.00 C ATOM 1545 O LYS A 105 -9.896 -14.389 -3.006 1.00 0.00 O ATOM 1546 CB LYS A 105 -11.447 -12.072 -1.348 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.676 -11.738 0.131 1.00 0.00 C ATOM 1548 CD LYS A 105 -13.162 -11.478 0.425 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.380 -11.316 1.931 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.806 -11.057 2.260 1.00 0.00 N ATOM 0 H LYS A 105 -9.662 -10.367 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.601 -13.114 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.733 -11.221 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.085 -12.906 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.320 -12.561 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.091 -10.859 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.492 -10.580 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.765 -12.305 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.047 -12.218 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.767 -10.494 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.911 -10.953 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.117 -10.183 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.388 -11.853 1.931 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.657 -12.385 -4.022 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.481 -12.846 -5.417 1.00 0.00 C ATOM 1566 C LYS A 106 -8.177 -13.620 -5.690 1.00 0.00 C ATOM 1567 O LYS A 106 -8.073 -14.258 -6.741 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.593 -11.632 -6.359 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.031 -11.107 -6.517 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.904 -12.011 -7.399 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.286 -11.364 -7.584 1.00 0.00 C ATOM 1572 NZ LYS A 106 -14.169 -12.208 -8.432 1.00 0.00 N ATOM 0 H LYS A 106 -9.616 -11.369 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.274 -13.570 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.961 -10.829 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.205 -11.907 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.490 -11.017 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.002 -10.106 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.428 -12.161 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.009 -12.994 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.751 -11.211 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.171 -10.381 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.094 -11.745 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.735 -12.333 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.297 -13.137 -7.983 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.214 -13.612 -4.763 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.887 -14.237 -4.913 1.00 0.00 C ATOM 1588 C GLN A 107 -5.476 -15.143 -3.740 1.00 0.00 C ATOM 1589 O GLN A 107 -4.773 -16.132 -3.938 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.852 -13.126 -5.133 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.770 -12.057 -4.035 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.802 -10.933 -4.390 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.588 -11.115 -4.432 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -4.302 -9.747 -4.643 1.00 0.00 N ATOM 0 H GLN A 107 -7.336 -13.158 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.937 -14.904 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.870 -13.587 -5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.074 -12.631 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.762 -11.638 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.455 -12.523 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.311 -9.601 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.682 -8.971 -4.876 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.954 -14.840 -2.533 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.740 -15.646 -1.321 1.00 0.00 C ATOM 1605 C ALA A 108 -6.436 -17.027 -1.339 1.00 0.00 C ATOM 1606 O ALA A 108 -6.043 -17.916 -0.575 1.00 0.00 O ATOM 1607 CB ALA A 108 -6.188 -14.821 -0.110 1.00 0.00 C ATOM 0 H ALA A 108 -6.516 -14.006 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.676 -15.878 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.038 -15.401 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.601 -13.904 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.244 -14.571 -0.211 1.00 0.00 H new