USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 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 7 THR OG1 : rot 180:sc= 0.583 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.639 X(o=1.2,f=0.98) USER MOD Single : A 10 ASN : amide:sc= 0.865 K(o=0.87,f=-5.2!) USER MOD Single : A 13 SER OG : rot -71:sc= 1.27 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -87:sc= 1.27 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 171:sc= 0 (180deg=-0.128) USER MOD Single : A 43 TYR OH : rot 157:sc= 0.00803 USER MOD Single : A 48 THR OG1 : rot -26:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.09) USER MOD Single : A 62 THR OG1 : rot -29:sc= 1.23 USER MOD Single : A 65 THR OG1 : rot -53:sc= 1.29 USER MOD Single : A 66 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.038) USER MOD Single : A 67 THR OG1 : rot -121:sc= 0.972 USER MOD Single : A 69 ASN : amide:sc= 0.603 K(o=0.6,f=-0.059) 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+ -171:sc= 1.27 (180deg=1.11) USER MOD Single : A 91 TYR OH : rot -30:sc= 0.185 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 88:sc= 1.21 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.12) 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 Single : A 107 GLN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -1.693 -1.429 11.838 1.00 0.00 N ATOM 15 CA ASP A 2 -1.282 -2.589 11.027 1.00 0.00 C ATOM 16 C ASP A 2 -0.589 -2.179 9.708 1.00 0.00 C ATOM 17 O ASP A 2 0.208 -2.958 9.173 1.00 0.00 O ATOM 18 CB ASP A 2 -2.495 -3.492 10.740 1.00 0.00 C ATOM 19 CG ASP A 2 -2.973 -4.248 11.984 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.196 -5.068 12.529 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.133 -4.032 12.420 1.00 0.00 O ATOM 0 HA ASP A 2 -0.546 -3.143 11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.312 -2.884 10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.234 -4.209 9.962 1.00 0.00 H new ATOM 26 N VAL A 3 -0.839 -0.964 9.207 1.00 0.00 N ATOM 27 CA VAL A 3 -0.114 -0.378 8.057 1.00 0.00 C ATOM 28 C VAL A 3 1.278 0.089 8.501 1.00 0.00 C ATOM 29 O VAL A 3 1.414 0.802 9.500 1.00 0.00 O ATOM 30 CB VAL A 3 -0.888 0.810 7.456 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.135 1.447 6.279 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.252 0.375 6.914 1.00 0.00 C ATOM 0 H VAL A 3 -1.557 -0.347 9.588 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.018 -1.148 7.292 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.002 1.525 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.715 2.281 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.835 1.809 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.011 0.704 5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.770 1.239 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.112 -0.374 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.846 -0.050 7.723 1.00 0.00 H new ATOM 42 N LEU A 4 2.319 -0.276 7.739 1.00 0.00 N ATOM 43 CA LEU A 4 3.691 0.208 7.924 1.00 0.00 C ATOM 44 C LEU A 4 3.853 1.635 7.361 1.00 0.00 C ATOM 45 O LEU A 4 3.668 1.866 6.163 1.00 0.00 O ATOM 46 CB LEU A 4 4.652 -0.758 7.207 1.00 0.00 C ATOM 47 CG LEU A 4 4.627 -2.219 7.694 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.536 -3.066 6.804 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.091 -2.361 9.147 1.00 0.00 C ATOM 0 H LEU A 4 2.227 -0.930 6.961 1.00 0.00 H new ATOM 0 HA LEU A 4 3.921 0.244 8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.420 -0.747 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.667 -0.377 7.316 1.00 0.00 H new ATOM 0 HG LEU A 4 3.593 -2.560 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.520 -4.100 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.182 -3.020 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.555 -2.683 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.054 -3.410 9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.113 -1.994 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.436 -1.780 9.796 1.00 0.00 H new ATOM 61 N GLU A 5 4.226 2.605 8.197 1.00 0.00 N ATOM 62 CA GLU A 5 4.402 4.010 7.785 1.00 0.00 C ATOM 63 C GLU A 5 5.844 4.285 7.315 1.00 0.00 C ATOM 64 O GLU A 5 6.613 5.012 7.952 1.00 0.00 O ATOM 65 CB GLU A 5 3.946 4.973 8.897 1.00 0.00 C ATOM 66 CG GLU A 5 2.491 4.731 9.319 1.00 0.00 C ATOM 67 CD GLU A 5 1.902 5.952 10.050 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.139 6.098 11.275 1.00 0.00 O ATOM 69 OE2 GLU A 5 1.211 6.777 9.397 1.00 0.00 O ATOM 0 H GLU A 5 4.417 2.443 9.186 1.00 0.00 H new ATOM 0 HA GLU A 5 3.759 4.194 6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.597 4.857 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.055 6.001 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.889 4.508 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.441 3.858 9.969 1.00 0.00 H new ATOM 76 N LEU A 6 6.227 3.629 6.214 1.00 0.00 N ATOM 77 CA LEU A 6 7.571 3.686 5.620 1.00 0.00 C ATOM 78 C LEU A 6 7.959 5.095 5.116 1.00 0.00 C ATOM 79 O LEU A 6 7.124 5.956 4.830 1.00 0.00 O ATOM 80 CB LEU A 6 7.666 2.640 4.483 1.00 0.00 C ATOM 81 CG LEU A 6 7.348 1.189 4.891 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.510 0.246 3.697 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.263 0.678 6.000 1.00 0.00 C ATOM 0 H LEU A 6 5.591 3.024 5.694 1.00 0.00 H new ATOM 0 HA LEU A 6 8.290 3.451 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.984 2.933 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.673 2.670 4.068 1.00 0.00 H new ATOM 0 HG LEU A 6 6.319 1.199 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.281 -0.774 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.828 0.546 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.536 0.293 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.995 -0.349 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.299 0.711 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.150 1.306 6.883 1.00 0.00 H new ATOM 95 N THR A 7 9.269 5.309 4.956 1.00 0.00 N ATOM 96 CA THR A 7 9.877 6.515 4.352 1.00 0.00 C ATOM 97 C THR A 7 11.176 6.134 3.638 1.00 0.00 C ATOM 98 O THR A 7 11.766 5.108 3.960 1.00 0.00 O ATOM 99 CB THR A 7 10.117 7.602 5.422 1.00 0.00 C ATOM 100 OG1 THR A 7 10.674 8.764 4.853 1.00 0.00 O ATOM 101 CG2 THR A 7 11.033 7.175 6.569 1.00 0.00 C ATOM 0 H THR A 7 9.967 4.626 5.252 1.00 0.00 H new ATOM 0 HA THR A 7 9.189 6.932 3.616 1.00 0.00 H new ATOM 0 HB THR A 7 9.125 7.789 5.832 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.814 9.436 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.145 8.000 7.272 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.598 6.318 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.011 6.902 6.172 1.00 0.00 H new ATOM 109 N ASP A 8 11.642 6.944 2.690 1.00 0.00 N ATOM 110 CA ASP A 8 12.819 6.670 1.854 1.00 0.00 C ATOM 111 C ASP A 8 14.111 6.303 2.629 1.00 0.00 C ATOM 112 O ASP A 8 14.938 5.529 2.142 1.00 0.00 O ATOM 113 CB ASP A 8 13.051 7.911 0.995 1.00 0.00 C ATOM 114 CG ASP A 8 14.125 7.679 -0.074 1.00 0.00 C ATOM 115 OD1 ASP A 8 13.803 7.053 -1.116 1.00 0.00 O ATOM 116 OD2 ASP A 8 15.279 8.142 0.101 1.00 0.00 O ATOM 0 H ASP A 8 11.201 7.837 2.472 1.00 0.00 H new ATOM 0 HA ASP A 8 12.604 5.780 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.116 8.198 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.349 8.743 1.633 1.00 0.00 H new ATOM 121 N ASP A 9 14.262 6.823 3.852 1.00 0.00 N ATOM 122 CA ASP A 9 15.406 6.570 4.746 1.00 0.00 C ATOM 123 C ASP A 9 15.388 5.180 5.429 1.00 0.00 C ATOM 124 O ASP A 9 16.383 4.737 6.010 1.00 0.00 O ATOM 125 CB ASP A 9 15.404 7.673 5.817 1.00 0.00 C ATOM 126 CG ASP A 9 16.702 7.722 6.632 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.780 7.987 6.046 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.650 7.540 7.871 1.00 0.00 O ATOM 0 H ASP A 9 13.572 7.452 4.263 1.00 0.00 H new ATOM 0 HA ASP A 9 16.310 6.580 4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.248 8.638 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.564 7.514 6.493 1.00 0.00 H new ATOM 133 N ASN A 10 14.246 4.491 5.347 1.00 0.00 N ATOM 134 CA ASN A 10 13.918 3.270 6.090 1.00 0.00 C ATOM 135 C ASN A 10 13.356 2.130 5.207 1.00 0.00 C ATOM 136 O ASN A 10 13.644 0.961 5.452 1.00 0.00 O ATOM 137 CB ASN A 10 12.927 3.713 7.186 1.00 0.00 C ATOM 138 CG ASN A 10 12.257 2.568 7.923 1.00 0.00 C ATOM 139 OD1 ASN A 10 12.887 1.698 8.500 1.00 0.00 O ATOM 140 ND2 ASN A 10 10.940 2.535 7.919 1.00 0.00 N ATOM 0 H ASN A 10 13.488 4.784 4.731 1.00 0.00 H new ATOM 0 HA ASN A 10 14.820 2.828 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.456 4.334 7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.157 4.337 6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.447 1.782 8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.413 3.263 7.436 1.00 0.00 H new ATOM 147 N PHE A 11 12.595 2.456 4.157 1.00 0.00 N ATOM 148 CA PHE A 11 11.917 1.526 3.243 1.00 0.00 C ATOM 149 C PHE A 11 12.827 0.378 2.780 1.00 0.00 C ATOM 150 O PHE A 11 12.466 -0.786 2.914 1.00 0.00 O ATOM 151 CB PHE A 11 11.377 2.370 2.070 1.00 0.00 C ATOM 152 CG PHE A 11 10.700 1.615 0.941 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.474 1.051 -0.097 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.294 1.545 0.880 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.842 0.403 -1.179 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.669 0.889 -0.200 1.00 0.00 C ATOM 157 CZ PHE A 11 9.444 0.326 -1.228 1.00 0.00 C ATOM 0 H PHE A 11 12.425 3.430 3.907 1.00 0.00 H new ATOM 0 HA PHE A 11 11.097 1.022 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.666 3.093 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.207 2.938 1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.551 1.116 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.696 1.993 1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.435 -0.033 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.592 0.819 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.961 -0.167 -2.058 1.00 0.00 H new ATOM 167 N GLU A 12 14.049 0.691 2.345 1.00 0.00 N ATOM 168 CA GLU A 12 15.045 -0.244 1.780 1.00 0.00 C ATOM 169 C GLU A 12 15.489 -1.381 2.725 1.00 0.00 C ATOM 170 O GLU A 12 16.181 -2.312 2.300 1.00 0.00 O ATOM 171 CB GLU A 12 16.270 0.542 1.296 1.00 0.00 C ATOM 172 CG GLU A 12 15.949 1.507 0.152 1.00 0.00 C ATOM 173 CD GLU A 12 17.231 2.079 -0.468 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.800 3.049 0.086 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.691 1.559 -1.517 1.00 0.00 O ATOM 0 H GLU A 12 14.396 1.650 2.375 1.00 0.00 H new ATOM 0 HA GLU A 12 14.542 -0.742 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.687 1.104 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.038 -0.159 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.372 0.988 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.327 2.321 0.523 1.00 0.00 H new ATOM 182 N SER A 13 15.085 -1.321 3.999 1.00 0.00 N ATOM 183 CA SER A 13 15.351 -2.345 5.021 1.00 0.00 C ATOM 184 C SER A 13 14.131 -3.203 5.404 1.00 0.00 C ATOM 185 O SER A 13 14.297 -4.255 6.034 1.00 0.00 O ATOM 186 CB SER A 13 15.890 -1.661 6.280 1.00 0.00 C ATOM 187 OG SER A 13 14.872 -0.902 6.919 1.00 0.00 O ATOM 0 H SER A 13 14.546 -0.534 4.361 1.00 0.00 H new ATOM 0 HA SER A 13 16.077 -3.029 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.277 -2.411 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.724 -1.010 6.017 1.00 0.00 H new ATOM 0 HG SER A 13 14.667 -0.110 6.380 1.00 0.00 H new ATOM 193 N ARG A 14 12.916 -2.786 5.022 1.00 0.00 N ATOM 194 CA ARG A 14 11.648 -3.379 5.503 1.00 0.00 C ATOM 195 C ARG A 14 10.965 -4.289 4.487 1.00 0.00 C ATOM 196 O ARG A 14 10.276 -5.235 4.858 1.00 0.00 O ATOM 197 CB ARG A 14 10.695 -2.247 5.908 1.00 0.00 C ATOM 198 CG ARG A 14 11.252 -1.286 6.975 1.00 0.00 C ATOM 199 CD ARG A 14 11.698 -1.979 8.270 1.00 0.00 C ATOM 200 NE ARG A 14 12.284 -1.000 9.200 1.00 0.00 N ATOM 201 CZ ARG A 14 12.567 -1.164 10.475 1.00 0.00 C ATOM 202 NH1 ARG A 14 12.336 -2.276 11.111 1.00 0.00 N ATOM 203 NH2 ARG A 14 13.103 -0.188 11.144 1.00 0.00 N ATOM 0 H ARG A 14 12.778 -2.019 4.363 1.00 0.00 H new ATOM 0 HA ARG A 14 11.896 -4.013 6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.438 -1.671 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.770 -2.686 6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.100 -0.745 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.489 -0.546 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.846 -2.471 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.428 -2.756 8.042 1.00 0.00 H new ATOM 0 HE ARG A 14 12.497 -0.082 8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.919 -3.067 10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.572 -2.356 12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.302 0.699 10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.325 -0.308 12.132 1.00 0.00 H new ATOM 217 N ILE A 15 11.204 -4.044 3.202 1.00 0.00 N ATOM 218 CA ILE A 15 10.656 -4.830 2.078 1.00 0.00 C ATOM 219 C ILE A 15 11.213 -6.260 2.005 1.00 0.00 C ATOM 220 O ILE A 15 10.619 -7.144 1.386 1.00 0.00 O ATOM 221 CB ILE A 15 10.840 -4.081 0.742 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.249 -4.165 0.104 1.00 0.00 C ATOM 223 CG2 ILE A 15 10.389 -2.624 0.900 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.402 -3.618 0.949 1.00 0.00 C ATOM 0 H ILE A 15 11.799 -3.275 2.895 1.00 0.00 H new ATOM 0 HA ILE A 15 9.588 -4.939 2.269 1.00 0.00 H new ATOM 0 HB ILE A 15 10.205 -4.606 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.459 -5.209 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 15 12.230 -3.625 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.520 -2.098 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.338 -2.598 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.988 -2.139 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.338 -3.729 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.229 -2.563 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.461 -4.172 1.886 1.00 0.00 H new ATOM 236 N SER A 16 12.333 -6.491 2.683 1.00 0.00 N ATOM 237 CA SER A 16 13.006 -7.797 2.803 1.00 0.00 C ATOM 238 C SER A 16 12.218 -8.776 3.678 1.00 0.00 C ATOM 239 O SER A 16 12.409 -9.987 3.580 1.00 0.00 O ATOM 240 CB SER A 16 14.411 -7.622 3.401 1.00 0.00 C ATOM 241 OG SER A 16 15.184 -6.733 2.603 1.00 0.00 O ATOM 0 H SER A 16 12.822 -5.751 3.186 1.00 0.00 H new ATOM 0 HA SER A 16 13.071 -8.210 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.335 -7.235 4.417 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.909 -8.590 3.465 1.00 0.00 H new ATOM 0 HG SER A 16 16.075 -6.630 2.997 1.00 0.00 H new ATOM 247 N ASP A 17 11.311 -8.269 4.526 1.00 0.00 N ATOM 248 CA ASP A 17 10.481 -9.079 5.428 1.00 0.00 C ATOM 249 C ASP A 17 9.284 -9.757 4.727 1.00 0.00 C ATOM 250 O ASP A 17 8.558 -10.551 5.332 1.00 0.00 O ATOM 251 CB ASP A 17 10.020 -8.193 6.597 1.00 0.00 C ATOM 252 CG ASP A 17 9.457 -9.005 7.776 1.00 0.00 C ATOM 253 OD1 ASP A 17 10.186 -9.866 8.329 1.00 0.00 O ATOM 254 OD2 ASP A 17 8.297 -8.751 8.188 1.00 0.00 O ATOM 0 H ASP A 17 11.131 -7.268 4.605 1.00 0.00 H new ATOM 0 HA ASP A 17 11.092 -9.903 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.860 -7.592 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.257 -7.500 6.242 1.00 0.00 H new ATOM 259 N THR A 18 9.079 -9.456 3.434 1.00 0.00 N ATOM 260 CA THR A 18 7.955 -9.945 2.603 1.00 0.00 C ATOM 261 C THR A 18 7.848 -11.460 2.453 1.00 0.00 C ATOM 262 O THR A 18 6.758 -11.941 2.155 1.00 0.00 O ATOM 263 CB THR A 18 8.006 -9.365 1.182 1.00 0.00 C ATOM 264 OG1 THR A 18 9.300 -9.414 0.630 1.00 0.00 O ATOM 265 CG2 THR A 18 7.528 -7.927 1.165 1.00 0.00 C ATOM 0 H THR A 18 9.710 -8.845 2.916 1.00 0.00 H new ATOM 0 HA THR A 18 7.084 -9.601 3.161 1.00 0.00 H new ATOM 0 HB THR A 18 7.345 -9.986 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.795 -8.608 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.574 -7.540 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.500 -7.881 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.166 -7.324 1.811 1.00 0.00 H new ATOM 273 N GLY A 19 8.930 -12.217 2.654 1.00 0.00 N ATOM 274 CA GLY A 19 8.984 -13.676 2.481 1.00 0.00 C ATOM 275 C GLY A 19 7.830 -14.465 3.123 1.00 0.00 C ATOM 276 O GLY A 19 7.391 -15.475 2.568 1.00 0.00 O ATOM 0 H GLY A 19 9.822 -11.821 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.002 -13.897 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.924 -14.039 2.897 1.00 0.00 H new ATOM 280 N SER A 20 7.286 -13.974 4.244 1.00 0.00 N ATOM 281 CA SER A 20 6.140 -14.573 4.958 1.00 0.00 C ATOM 282 C SER A 20 4.784 -14.496 4.235 1.00 0.00 C ATOM 283 O SER A 20 3.873 -15.258 4.566 1.00 0.00 O ATOM 284 CB SER A 20 5.993 -13.921 6.335 1.00 0.00 C ATOM 285 OG SER A 20 7.171 -14.115 7.103 1.00 0.00 O ATOM 0 H SER A 20 7.636 -13.128 4.694 1.00 0.00 H new ATOM 0 HA SER A 20 6.382 -15.634 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.797 -12.855 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.137 -14.348 6.857 1.00 0.00 H new ATOM 0 HG SER A 20 7.063 -13.691 7.980 1.00 0.00 H new ATOM 291 N ALA A 21 4.646 -13.607 3.252 1.00 0.00 N ATOM 292 CA ALA A 21 3.429 -13.407 2.447 1.00 0.00 C ATOM 293 C ALA A 21 3.685 -13.344 0.921 1.00 0.00 C ATOM 294 O ALA A 21 2.741 -13.308 0.127 1.00 0.00 O ATOM 295 CB ALA A 21 2.752 -12.123 2.938 1.00 0.00 C ATOM 0 H ALA A 21 5.403 -12.980 2.980 1.00 0.00 H new ATOM 0 HA ALA A 21 2.786 -14.276 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.845 -11.946 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.496 -12.227 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.433 -11.281 2.811 1.00 0.00 H new ATOM 301 N GLY A 22 4.952 -13.331 0.500 1.00 0.00 N ATOM 302 CA GLY A 22 5.393 -13.325 -0.904 1.00 0.00 C ATOM 303 C GLY A 22 5.532 -11.938 -1.550 1.00 0.00 C ATOM 304 O GLY A 22 6.290 -11.802 -2.512 1.00 0.00 O ATOM 0 H GLY A 22 5.735 -13.324 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.355 -13.833 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.685 -13.910 -1.491 1.00 0.00 H new ATOM 308 N LEU A 23 4.851 -10.902 -1.038 1.00 0.00 N ATOM 309 CA LEU A 23 4.882 -9.536 -1.585 1.00 0.00 C ATOM 310 C LEU A 23 4.530 -8.452 -0.555 1.00 0.00 C ATOM 311 O LEU A 23 4.027 -8.749 0.531 1.00 0.00 O ATOM 312 CB LEU A 23 3.980 -9.470 -2.843 1.00 0.00 C ATOM 313 CG LEU A 23 2.452 -9.561 -2.642 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.821 -8.221 -2.254 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.804 -9.998 -3.959 1.00 0.00 C ATOM 0 H LEU A 23 4.252 -10.991 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 23 5.910 -9.314 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.194 -8.534 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.278 -10.278 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 23 2.283 -10.273 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.746 -8.348 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.258 -7.870 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.009 -7.489 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.724 -10.066 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.031 -9.268 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.196 -10.972 -4.252 1.00 0.00 H new ATOM 327 N MET A 24 4.743 -7.187 -0.933 1.00 0.00 N ATOM 328 CA MET A 24 4.284 -5.987 -0.220 1.00 0.00 C ATOM 329 C MET A 24 3.316 -5.198 -1.109 1.00 0.00 C ATOM 330 O MET A 24 3.583 -4.996 -2.298 1.00 0.00 O ATOM 331 CB MET A 24 5.500 -5.108 0.141 1.00 0.00 C ATOM 332 CG MET A 24 5.160 -3.842 0.943 1.00 0.00 C ATOM 333 SD MET A 24 4.446 -4.119 2.593 1.00 0.00 S ATOM 334 CE MET A 24 5.861 -4.863 3.452 1.00 0.00 C ATOM 0 H MET A 24 5.263 -6.960 -1.781 1.00 0.00 H new ATOM 0 HA MET A 24 3.768 -6.281 0.694 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.207 -5.707 0.715 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.005 -4.814 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.069 -3.251 1.056 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.460 -3.243 0.361 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.639 -4.945 4.516 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.053 -5.855 3.044 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.742 -4.236 3.312 1.00 0.00 H new ATOM 344 N LEU A 25 2.226 -4.711 -0.513 1.00 0.00 N ATOM 345 CA LEU A 25 1.306 -3.743 -1.116 1.00 0.00 C ATOM 346 C LEU A 25 1.578 -2.381 -0.455 1.00 0.00 C ATOM 347 O LEU A 25 1.635 -2.284 0.771 1.00 0.00 O ATOM 348 CB LEU A 25 -0.147 -4.225 -0.894 1.00 0.00 C ATOM 349 CG LEU A 25 -1.237 -3.260 -1.400 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.229 -3.059 -2.914 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.618 -3.783 -1.017 1.00 0.00 C ATOM 0 H LEU A 25 1.951 -4.987 0.430 1.00 0.00 H new ATOM 0 HA LEU A 25 1.453 -3.648 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.275 -5.187 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.299 -4.394 0.172 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.016 -2.302 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.024 -2.368 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.267 -2.649 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.390 -4.017 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.381 -3.094 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.773 -4.764 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.688 -3.865 0.068 1.00 0.00 H new ATOM 363 N VAL A 26 1.767 -1.329 -1.255 1.00 0.00 N ATOM 364 CA VAL A 26 2.135 0.010 -0.755 1.00 0.00 C ATOM 365 C VAL A 26 1.293 1.099 -1.416 1.00 0.00 C ATOM 366 O VAL A 26 0.885 0.955 -2.567 1.00 0.00 O ATOM 367 CB VAL A 26 3.654 0.259 -0.901 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.104 0.307 -2.356 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.131 1.532 -0.199 1.00 0.00 C ATOM 0 H VAL A 26 1.671 -1.375 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 26 1.911 0.051 0.311 1.00 0.00 H new ATOM 0 HB VAL A 26 4.113 -0.599 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.179 0.484 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.873 -0.642 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.582 1.113 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.206 1.645 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.616 2.395 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.912 1.464 0.867 1.00 0.00 H new ATOM 379 N GLU A 27 1.053 2.198 -0.703 1.00 0.00 N ATOM 380 CA GLU A 27 0.255 3.350 -1.129 1.00 0.00 C ATOM 381 C GLU A 27 1.079 4.648 -1.034 1.00 0.00 C ATOM 382 O GLU A 27 1.379 5.144 0.059 1.00 0.00 O ATOM 383 CB GLU A 27 -1.011 3.419 -0.259 1.00 0.00 C ATOM 384 CG GLU A 27 -1.939 4.566 -0.667 1.00 0.00 C ATOM 385 CD GLU A 27 -3.172 4.604 0.258 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.155 3.876 -0.023 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.153 5.370 1.256 1.00 0.00 O ATOM 0 H GLU A 27 1.429 2.317 0.238 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.037 3.235 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.551 2.475 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.724 3.541 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.404 5.514 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.255 4.438 -1.702 1.00 0.00 H new ATOM 394 N PHE A 28 1.453 5.209 -2.181 1.00 0.00 N ATOM 395 CA PHE A 28 2.075 6.528 -2.276 1.00 0.00 C ATOM 396 C PHE A 28 0.992 7.617 -2.341 1.00 0.00 C ATOM 397 O PHE A 28 0.090 7.552 -3.186 1.00 0.00 O ATOM 398 CB PHE A 28 2.986 6.570 -3.511 1.00 0.00 C ATOM 399 CG PHE A 28 4.161 5.606 -3.487 1.00 0.00 C ATOM 400 CD1 PHE A 28 4.014 4.287 -3.960 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.414 6.030 -3.004 1.00 0.00 C ATOM 402 CE1 PHE A 28 5.106 3.404 -3.939 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.507 5.144 -2.980 1.00 0.00 C ATOM 404 CZ PHE A 28 6.349 3.822 -3.437 1.00 0.00 C ATOM 0 H PHE A 28 1.331 4.753 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 28 2.683 6.717 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.383 6.359 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.371 7.583 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.059 3.954 -4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.537 7.043 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.989 2.397 -4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.466 5.478 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.180 3.133 -3.402 1.00 0.00 H new ATOM 414 N PHE A 29 1.053 8.617 -1.456 1.00 0.00 N ATOM 415 CA PHE A 29 0.077 9.711 -1.357 1.00 0.00 C ATOM 416 C PHE A 29 0.721 11.022 -0.858 1.00 0.00 C ATOM 417 O PHE A 29 1.903 11.027 -0.519 1.00 0.00 O ATOM 418 CB PHE A 29 -1.100 9.244 -0.465 1.00 0.00 C ATOM 419 CG PHE A 29 -2.514 9.741 -0.763 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.810 10.726 -1.731 1.00 0.00 C ATOM 421 CD2 PHE A 29 -3.587 9.157 -0.053 1.00 0.00 C ATOM 422 CE1 PHE A 29 -4.139 11.094 -2.001 1.00 0.00 C ATOM 423 CE2 PHE A 29 -4.917 9.537 -0.312 1.00 0.00 C ATOM 424 CZ PHE A 29 -5.197 10.486 -1.307 1.00 0.00 C ATOM 0 H PHE A 29 1.803 8.691 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.307 9.946 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.123 8.155 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.864 9.526 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.005 11.202 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.384 8.409 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.347 11.848 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.724 9.097 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.219 10.747 -1.537 1.00 0.00 H new ATOM 434 N ALA A 30 -0.020 12.136 -0.816 1.00 0.00 N ATOM 435 CA ALA A 30 0.499 13.464 -0.471 1.00 0.00 C ATOM 436 C ALA A 30 -0.515 14.281 0.374 1.00 0.00 C ATOM 437 O ALA A 30 -1.501 14.766 -0.190 1.00 0.00 O ATOM 438 CB ALA A 30 0.822 14.185 -1.790 1.00 0.00 C ATOM 0 H ALA A 30 -1.018 12.139 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 30 1.393 13.363 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.212 15.180 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.568 13.615 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.085 14.272 -2.388 1.00 0.00 H new ATOM 444 N PRO A 31 -0.310 14.451 1.702 1.00 0.00 N ATOM 445 CA PRO A 31 -1.277 15.102 2.601 1.00 0.00 C ATOM 446 C PRO A 31 -1.765 16.502 2.182 1.00 0.00 C ATOM 447 O PRO A 31 -2.932 16.834 2.389 1.00 0.00 O ATOM 448 CB PRO A 31 -0.588 15.152 3.971 1.00 0.00 C ATOM 449 CG PRO A 31 0.320 13.929 3.937 1.00 0.00 C ATOM 450 CD PRO A 31 0.787 13.893 2.490 1.00 0.00 C ATOM 0 HA PRO A 31 -2.198 14.519 2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.021 16.073 4.105 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.308 15.099 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.156 14.027 4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.216 13.020 4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.698 14.476 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.013 12.874 2.178 1.00 0.00 H new ATOM 550 N ARG A 38 -8.885 10.873 5.024 1.00 0.00 N ATOM 551 CA ARG A 38 -10.113 10.111 4.683 1.00 0.00 C ATOM 552 C ARG A 38 -9.841 8.676 4.208 1.00 0.00 C ATOM 553 O ARG A 38 -10.713 7.818 4.363 1.00 0.00 O ATOM 554 CB ARG A 38 -10.924 10.865 3.605 1.00 0.00 C ATOM 555 CG ARG A 38 -11.449 12.265 3.982 1.00 0.00 C ATOM 556 CD ARG A 38 -12.472 12.302 5.131 1.00 0.00 C ATOM 557 NE ARG A 38 -11.848 12.047 6.446 1.00 0.00 N ATOM 558 CZ ARG A 38 -12.458 11.744 7.580 1.00 0.00 C ATOM 559 NH1 ARG A 38 -13.758 11.800 7.711 1.00 0.00 N ATOM 560 NH2 ARG A 38 -11.754 11.367 8.609 1.00 0.00 N ATOM 0 HA ARG A 38 -10.684 10.032 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.299 10.964 2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.777 10.246 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.599 12.891 4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.904 12.713 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.962 13.275 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.247 11.558 4.949 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.831 12.112 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.338 12.085 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.192 11.559 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.738 11.307 8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.218 11.132 9.486 1.00 0.00 H new ATOM 574 N LEU A 39 -8.643 8.389 3.687 1.00 0.00 N ATOM 575 CA LEU A 39 -8.288 7.061 3.150 1.00 0.00 C ATOM 576 C LEU A 39 -7.458 6.194 4.115 1.00 0.00 C ATOM 577 O LEU A 39 -7.578 4.970 4.096 1.00 0.00 O ATOM 578 CB LEU A 39 -7.575 7.254 1.803 1.00 0.00 C ATOM 579 CG LEU A 39 -7.322 5.943 1.031 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.605 5.208 0.648 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.567 6.249 -0.266 1.00 0.00 C ATOM 0 H LEU A 39 -7.886 9.070 3.623 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.212 6.500 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.172 7.920 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.620 7.751 1.977 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.748 5.304 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.354 4.295 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.162 4.954 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.216 5.849 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.389 5.322 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.161 6.923 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.613 6.720 -0.029 1.00 0.00 H new ATOM 593 N ALA A 40 -6.682 6.800 5.019 1.00 0.00 N ATOM 594 CA ALA A 40 -5.964 6.081 6.071 1.00 0.00 C ATOM 595 C ALA A 40 -6.843 5.108 6.904 1.00 0.00 C ATOM 596 O ALA A 40 -6.427 3.960 7.066 1.00 0.00 O ATOM 597 CB ALA A 40 -5.217 7.087 6.954 1.00 0.00 C ATOM 0 H ALA A 40 -6.535 7.809 5.040 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.248 5.425 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.681 6.554 7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.507 7.648 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.931 7.776 7.405 1.00 0.00 H new ATOM 603 N PRO A 41 -8.055 5.475 7.385 1.00 0.00 N ATOM 604 CA PRO A 41 -8.877 4.560 8.177 1.00 0.00 C ATOM 605 C PRO A 41 -9.445 3.391 7.359 1.00 0.00 C ATOM 606 O PRO A 41 -9.734 2.343 7.931 1.00 0.00 O ATOM 607 CB PRO A 41 -9.984 5.422 8.794 1.00 0.00 C ATOM 608 CG PRO A 41 -10.133 6.576 7.809 1.00 0.00 C ATOM 609 CD PRO A 41 -8.709 6.775 7.306 1.00 0.00 C ATOM 0 HA PRO A 41 -8.272 4.074 8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.914 4.864 8.901 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.709 5.776 9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.818 6.330 6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.521 7.473 8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.708 7.148 6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.183 7.511 7.913 1.00 0.00 H new ATOM 617 N GLU A 42 -9.576 3.529 6.032 1.00 0.00 N ATOM 618 CA GLU A 42 -9.935 2.403 5.156 1.00 0.00 C ATOM 619 C GLU A 42 -8.751 1.440 4.998 1.00 0.00 C ATOM 620 O GLU A 42 -8.912 0.222 5.088 1.00 0.00 O ATOM 621 CB GLU A 42 -10.337 2.928 3.763 1.00 0.00 C ATOM 622 CG GLU A 42 -11.681 3.661 3.730 1.00 0.00 C ATOM 623 CD GLU A 42 -12.848 2.678 3.929 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.084 1.847 3.019 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.522 2.724 4.987 1.00 0.00 O ATOM 0 H GLU A 42 -9.438 4.412 5.540 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.772 1.873 5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.560 3.602 3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.377 2.089 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.704 4.422 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.794 4.178 2.777 1.00 0.00 H new ATOM 632 N TYR A 43 -7.550 1.976 4.788 1.00 0.00 N ATOM 633 CA TYR A 43 -6.364 1.174 4.504 1.00 0.00 C ATOM 634 C TYR A 43 -5.862 0.421 5.757 1.00 0.00 C ATOM 635 O TYR A 43 -5.453 -0.734 5.669 1.00 0.00 O ATOM 636 CB TYR A 43 -5.304 2.105 3.907 1.00 0.00 C ATOM 637 CG TYR A 43 -4.206 1.404 3.139 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.516 0.697 1.955 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.870 1.498 3.575 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.493 0.077 1.211 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.848 0.883 2.835 1.00 0.00 C ATOM 642 CZ TYR A 43 -2.154 0.183 1.646 1.00 0.00 C ATOM 643 OH TYR A 43 -1.157 -0.398 0.931 1.00 0.00 O ATOM 0 H TYR A 43 -7.373 2.980 4.810 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.603 0.391 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.797 2.815 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.852 2.683 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.541 0.632 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.632 2.042 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.731 -0.476 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.825 0.945 3.175 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.309 0.052 1.127 1.00 0.00 H new ATOM 653 N GLU A 44 -5.985 1.021 6.947 1.00 0.00 N ATOM 654 CA GLU A 44 -5.759 0.365 8.248 1.00 0.00 C ATOM 655 C GLU A 44 -6.763 -0.759 8.504 1.00 0.00 C ATOM 656 O GLU A 44 -6.392 -1.854 8.923 1.00 0.00 O ATOM 657 CB GLU A 44 -5.895 1.380 9.383 1.00 0.00 C ATOM 658 CG GLU A 44 -4.810 2.449 9.354 1.00 0.00 C ATOM 659 CD GLU A 44 -3.502 2.064 10.083 1.00 0.00 C ATOM 660 OE1 GLU A 44 -3.189 0.859 10.251 1.00 0.00 O ATOM 661 OE2 GLU A 44 -2.777 2.994 10.511 1.00 0.00 O ATOM 0 H GLU A 44 -6.251 2.001 7.038 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.753 -0.053 8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.872 1.859 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.857 0.857 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.576 2.681 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.205 3.360 9.803 1.00 0.00 H new ATOM 668 N ALA A 45 -8.037 -0.487 8.223 1.00 0.00 N ATOM 669 CA ALA A 45 -9.103 -1.480 8.372 1.00 0.00 C ATOM 670 C ALA A 45 -8.878 -2.714 7.470 1.00 0.00 C ATOM 671 O ALA A 45 -9.138 -3.842 7.893 1.00 0.00 O ATOM 672 CB ALA A 45 -10.465 -0.822 8.122 1.00 0.00 C ATOM 0 H ALA A 45 -8.359 0.421 7.888 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.085 -1.852 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.254 -1.565 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.618 -0.018 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.492 -0.414 7.112 1.00 0.00 H new ATOM 678 N ALA A 46 -8.360 -2.517 6.252 1.00 0.00 N ATOM 679 CA ALA A 46 -7.895 -3.608 5.393 1.00 0.00 C ATOM 680 C ALA A 46 -6.675 -4.326 5.980 1.00 0.00 C ATOM 681 O ALA A 46 -6.637 -5.553 6.013 1.00 0.00 O ATOM 682 CB ALA A 46 -7.562 -3.038 4.014 1.00 0.00 C ATOM 0 H ALA A 46 -8.252 -1.593 5.835 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.690 -4.349 5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.214 -3.840 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.454 -2.582 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.780 -2.284 4.111 1.00 0.00 H new ATOM 688 N ALA A 47 -5.684 -3.582 6.478 1.00 0.00 N ATOM 689 CA ALA A 47 -4.460 -4.138 7.054 1.00 0.00 C ATOM 690 C ALA A 47 -4.736 -5.027 8.278 1.00 0.00 C ATOM 691 O ALA A 47 -4.110 -6.074 8.415 1.00 0.00 O ATOM 692 CB ALA A 47 -3.493 -2.992 7.371 1.00 0.00 C ATOM 0 H ALA A 47 -5.711 -2.562 6.492 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.997 -4.799 6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.577 -3.397 7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.256 -2.452 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.958 -2.310 8.083 1.00 0.00 H new ATOM 698 N THR A 48 -5.715 -4.680 9.123 1.00 0.00 N ATOM 699 CA THR A 48 -6.200 -5.540 10.220 1.00 0.00 C ATOM 700 C THR A 48 -6.865 -6.831 9.719 1.00 0.00 C ATOM 701 O THR A 48 -6.648 -7.892 10.305 1.00 0.00 O ATOM 702 CB THR A 48 -7.171 -4.778 11.139 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.603 -3.565 11.587 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.534 -5.565 12.402 1.00 0.00 C ATOM 0 H THR A 48 -6.201 -3.785 9.067 1.00 0.00 H new ATOM 0 HA THR A 48 -5.315 -5.826 10.788 1.00 0.00 H new ATOM 0 HB THR A 48 -8.060 -4.610 10.531 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.626 -3.639 11.580 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.221 -4.978 13.011 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.010 -6.504 12.121 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.629 -5.773 12.973 1.00 0.00 H new ATOM 712 N ARG A 49 -7.632 -6.779 8.611 1.00 0.00 N ATOM 713 CA ARG A 49 -8.227 -7.986 7.984 1.00 0.00 C ATOM 714 C ARG A 49 -7.192 -8.893 7.297 1.00 0.00 C ATOM 715 O ARG A 49 -7.418 -10.097 7.184 1.00 0.00 O ATOM 716 CB ARG A 49 -9.322 -7.595 6.964 1.00 0.00 C ATOM 717 CG ARG A 49 -10.738 -7.845 7.513 1.00 0.00 C ATOM 718 CD ARG A 49 -11.147 -6.866 8.624 1.00 0.00 C ATOM 719 NE ARG A 49 -11.441 -5.530 8.071 1.00 0.00 N ATOM 720 CZ ARG A 49 -12.585 -5.108 7.557 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.659 -5.851 7.527 1.00 0.00 N ATOM 722 NH2 ARG A 49 -12.671 -3.915 7.041 1.00 0.00 N ATOM 0 H ARG A 49 -7.857 -5.910 8.126 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.665 -8.556 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.215 -6.542 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.183 -8.166 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.454 -7.773 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.795 -8.863 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.024 -7.249 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.346 -6.791 9.360 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.676 -4.856 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.636 -6.796 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.521 -5.486 7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.855 -3.303 7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.554 -3.593 6.646 1.00 0.00 H new ATOM 736 N LEU A 50 -6.077 -8.318 6.847 1.00 0.00 N ATOM 737 CA LEU A 50 -5.062 -8.963 6.002 1.00 0.00 C ATOM 738 C LEU A 50 -3.716 -9.201 6.723 1.00 0.00 C ATOM 739 O LEU A 50 -2.757 -9.638 6.093 1.00 0.00 O ATOM 740 CB LEU A 50 -4.876 -8.120 4.721 1.00 0.00 C ATOM 741 CG LEU A 50 -6.140 -7.966 3.849 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.889 -6.961 2.724 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.581 -9.279 3.206 1.00 0.00 C ATOM 0 H LEU A 50 -5.843 -7.350 7.068 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.423 -9.960 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.527 -7.127 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.090 -8.574 4.117 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.927 -7.623 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.789 -6.862 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.632 -5.992 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.067 -7.311 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.474 -9.108 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.782 -9.658 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.802 -10.009 3.985 1.00 0.00 H new ATOM 755 N LYS A 51 -3.629 -8.948 8.036 1.00 0.00 N ATOM 756 CA LYS A 51 -2.374 -8.929 8.819 1.00 0.00 C ATOM 757 C LYS A 51 -1.522 -10.204 8.786 1.00 0.00 C ATOM 758 O LYS A 51 -0.295 -10.128 8.861 1.00 0.00 O ATOM 759 CB LYS A 51 -2.671 -8.524 10.270 1.00 0.00 C ATOM 760 CG LYS A 51 -3.591 -9.493 11.028 1.00 0.00 C ATOM 761 CD LYS A 51 -3.908 -8.976 12.438 1.00 0.00 C ATOM 762 CE LYS A 51 -4.865 -9.947 13.144 1.00 0.00 C ATOM 763 NZ LYS A 51 -5.175 -9.508 14.535 1.00 0.00 N ATOM 0 H LYS A 51 -4.451 -8.744 8.605 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.753 -8.188 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.728 -8.441 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.127 -7.534 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.518 -9.628 10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.115 -10.471 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.988 -8.875 13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.358 -7.985 12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.790 -10.025 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.421 -10.942 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.824 -10.190 14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.295 -9.458 15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.622 -8.569 14.511 1.00 0.00 H new ATOM 777 N GLY A 52 -2.169 -11.357 8.637 1.00 0.00 N ATOM 778 CA GLY A 52 -1.536 -12.674 8.489 1.00 0.00 C ATOM 779 C GLY A 52 -1.645 -13.231 7.062 1.00 0.00 C ATOM 780 O GLY A 52 -1.520 -14.444 6.863 1.00 0.00 O ATOM 0 H GLY A 52 -3.188 -11.406 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.484 -12.599 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.999 -13.375 9.184 1.00 0.00 H new ATOM 784 N ILE A 53 -1.934 -12.355 6.089 1.00 0.00 N ATOM 785 CA ILE A 53 -2.298 -12.722 4.705 1.00 0.00 C ATOM 786 C ILE A 53 -1.460 -11.947 3.666 1.00 0.00 C ATOM 787 O ILE A 53 -0.847 -12.564 2.794 1.00 0.00 O ATOM 788 CB ILE A 53 -3.820 -12.512 4.482 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.674 -13.223 5.562 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.221 -12.983 3.075 1.00 0.00 C ATOM 791 CD1 ILE A 53 -6.193 -13.103 5.376 1.00 0.00 C ATOM 0 H ILE A 53 -1.922 -11.347 6.242 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.070 -13.778 4.562 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.020 -11.444 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.408 -14.280 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.410 -12.815 6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.291 -12.830 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.669 -12.411 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.988 -14.042 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.701 -13.633 6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.480 -12.052 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.478 -13.539 4.418 1.00 0.00 H new ATOM 803 N VAL A 54 -1.390 -10.614 3.765 1.00 0.00 N ATOM 804 CA VAL A 54 -0.560 -9.725 2.926 1.00 0.00 C ATOM 805 C VAL A 54 -0.297 -8.392 3.661 1.00 0.00 C ATOM 806 O VAL A 54 -1.253 -7.745 4.102 1.00 0.00 O ATOM 807 CB VAL A 54 -1.191 -9.514 1.530 1.00 0.00 C ATOM 808 CG1 VAL A 54 -2.630 -8.972 1.515 1.00 0.00 C ATOM 809 CG2 VAL A 54 -0.322 -8.614 0.646 1.00 0.00 C ATOM 0 H VAL A 54 -1.931 -10.099 4.459 1.00 0.00 H new ATOM 0 HA VAL A 54 0.404 -10.205 2.756 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.241 -10.527 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.968 -8.865 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.286 -9.666 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.658 -8.001 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.799 -8.490 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.207 -7.640 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.658 -9.072 0.514 1.00 0.00 H new ATOM 819 N PRO A 55 0.973 -7.963 3.846 1.00 0.00 N ATOM 820 CA PRO A 55 1.297 -6.711 4.531 1.00 0.00 C ATOM 821 C PRO A 55 0.986 -5.472 3.664 1.00 0.00 C ATOM 822 O PRO A 55 1.053 -5.514 2.429 1.00 0.00 O ATOM 823 CB PRO A 55 2.786 -6.807 4.875 1.00 0.00 C ATOM 824 CG PRO A 55 3.333 -7.678 3.746 1.00 0.00 C ATOM 825 CD PRO A 55 2.198 -8.659 3.477 1.00 0.00 C ATOM 0 HA PRO A 55 0.687 -6.583 5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.261 -5.826 4.897 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.948 -7.261 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.572 -7.087 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.247 -8.192 4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.178 -8.955 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.322 -9.570 4.063 1.00 0.00 H new ATOM 833 N LEU A 56 0.680 -4.358 4.342 1.00 0.00 N ATOM 834 CA LEU A 56 0.317 -3.068 3.750 1.00 0.00 C ATOM 835 C LEU A 56 1.246 -1.961 4.274 1.00 0.00 C ATOM 836 O LEU A 56 1.637 -1.982 5.445 1.00 0.00 O ATOM 837 CB LEU A 56 -1.149 -2.719 4.106 1.00 0.00 C ATOM 838 CG LEU A 56 -2.220 -3.168 3.092 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.362 -4.685 2.967 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.578 -2.609 3.509 1.00 0.00 C ATOM 0 H LEU A 56 0.679 -4.332 5.362 1.00 0.00 H new ATOM 0 HA LEU A 56 0.422 -3.140 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.383 -3.166 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.224 -1.638 4.228 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.892 -2.787 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.135 -4.919 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.414 -5.114 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.639 -5.105 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.337 -2.925 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.836 -2.982 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.532 -1.520 3.532 1.00 0.00 H new ATOM 852 N ALA A 57 1.553 -0.974 3.433 1.00 0.00 N ATOM 853 CA ALA A 57 2.395 0.168 3.792 1.00 0.00 C ATOM 854 C ALA A 57 1.972 1.480 3.102 1.00 0.00 C ATOM 855 O ALA A 57 1.304 1.481 2.070 1.00 0.00 O ATOM 856 CB ALA A 57 3.848 -0.171 3.443 1.00 0.00 C ATOM 0 H ALA A 57 1.219 -0.944 2.470 1.00 0.00 H new ATOM 0 HA ALA A 57 2.280 0.343 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.491 0.670 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.160 -1.053 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.928 -0.371 2.375 1.00 0.00 H new ATOM 862 N LYS A 58 2.424 2.620 3.632 1.00 0.00 N ATOM 863 CA LYS A 58 2.185 3.957 3.065 1.00 0.00 C ATOM 864 C LYS A 58 3.468 4.792 2.997 1.00 0.00 C ATOM 865 O LYS A 58 4.374 4.622 3.817 1.00 0.00 O ATOM 866 CB LYS A 58 1.054 4.679 3.829 1.00 0.00 C ATOM 867 CG LYS A 58 1.339 4.834 5.331 1.00 0.00 C ATOM 868 CD LYS A 58 0.224 5.579 6.084 1.00 0.00 C ATOM 869 CE LYS A 58 0.406 7.100 5.992 1.00 0.00 C ATOM 870 NZ LYS A 58 -0.225 7.782 7.152 1.00 0.00 N ATOM 0 H LYS A 58 2.980 2.643 4.487 1.00 0.00 H new ATOM 0 HA LYS A 58 1.855 3.829 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.901 5.666 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.125 4.125 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.471 3.847 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.279 5.370 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.745 5.301 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.223 5.274 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.468 7.341 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.035 7.467 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.133 8.812 7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.232 7.527 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.248 7.484 8.029 1.00 0.00 H new ATOM 884 N VAL A 59 3.523 5.705 2.023 1.00 0.00 N ATOM 885 CA VAL A 59 4.655 6.613 1.746 1.00 0.00 C ATOM 886 C VAL A 59 4.124 7.998 1.348 1.00 0.00 C ATOM 887 O VAL A 59 3.105 8.109 0.664 1.00 0.00 O ATOM 888 CB VAL A 59 5.563 6.046 0.629 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.777 6.949 0.368 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.123 4.656 0.983 1.00 0.00 C ATOM 0 H VAL A 59 2.749 5.843 1.374 1.00 0.00 H new ATOM 0 HA VAL A 59 5.254 6.703 2.652 1.00 0.00 H new ATOM 0 HB VAL A 59 4.924 5.988 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.389 6.516 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.436 7.938 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.369 7.035 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.754 4.300 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.713 4.724 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.298 3.959 1.134 1.00 0.00 H new ATOM 900 N ASP A 60 4.819 9.050 1.781 1.00 0.00 N ATOM 901 CA ASP A 60 4.384 10.447 1.676 1.00 0.00 C ATOM 902 C ASP A 60 5.239 11.226 0.655 1.00 0.00 C ATOM 903 O ASP A 60 6.396 11.560 0.909 1.00 0.00 O ATOM 904 CB ASP A 60 4.437 11.062 3.083 1.00 0.00 C ATOM 905 CG ASP A 60 4.016 12.542 3.164 1.00 0.00 C ATOM 906 OD1 ASP A 60 3.873 13.217 2.115 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.847 13.033 4.306 1.00 0.00 O ATOM 0 H ASP A 60 5.730 8.952 2.229 1.00 0.00 H new ATOM 0 HA ASP A 60 3.362 10.501 1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.792 10.480 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.453 10.968 3.466 1.00 0.00 H new ATOM 912 N CYS A 61 4.662 11.531 -0.513 1.00 0.00 N ATOM 913 CA CYS A 61 5.313 12.304 -1.572 1.00 0.00 C ATOM 914 C CYS A 61 5.534 13.801 -1.269 1.00 0.00 C ATOM 915 O CYS A 61 6.305 14.431 -1.992 1.00 0.00 O ATOM 916 CB CYS A 61 4.512 12.110 -2.860 1.00 0.00 C ATOM 917 SG CYS A 61 4.358 10.378 -3.349 1.00 0.00 S ATOM 0 H CYS A 61 3.713 11.242 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 61 6.327 11.917 -1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.516 12.533 -2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.991 12.667 -3.665 1.00 0.00 H new ATOM 922 N THR A 62 4.928 14.377 -0.222 1.00 0.00 N ATOM 923 CA THR A 62 5.291 15.735 0.252 1.00 0.00 C ATOM 924 C THR A 62 6.578 15.703 1.086 1.00 0.00 C ATOM 925 O THR A 62 7.324 16.687 1.131 1.00 0.00 O ATOM 926 CB THR A 62 4.187 16.412 1.084 1.00 0.00 C ATOM 927 OG1 THR A 62 4.014 15.816 2.349 1.00 0.00 O ATOM 928 CG2 THR A 62 2.830 16.413 0.381 1.00 0.00 C ATOM 0 H THR A 62 4.185 13.932 0.317 1.00 0.00 H new ATOM 0 HA THR A 62 5.437 16.323 -0.654 1.00 0.00 H new ATOM 0 HB THR A 62 4.536 17.437 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.261 14.869 2.301 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.092 16.903 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.910 16.950 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.519 15.386 0.189 1.00 0.00 H new ATOM 936 N ALA A 63 6.859 14.551 1.708 1.00 0.00 N ATOM 937 CA ALA A 63 8.046 14.288 2.520 1.00 0.00 C ATOM 938 C ALA A 63 9.215 13.700 1.699 1.00 0.00 C ATOM 939 O ALA A 63 10.378 13.991 1.996 1.00 0.00 O ATOM 940 CB ALA A 63 7.614 13.345 3.646 1.00 0.00 C ATOM 0 H ALA A 63 6.237 13.745 1.655 1.00 0.00 H new ATOM 0 HA ALA A 63 8.433 15.224 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.471 13.120 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.836 13.822 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.227 12.421 3.218 1.00 0.00 H new ATOM 946 N ASN A 64 8.923 12.925 0.640 1.00 0.00 N ATOM 947 CA ASN A 64 9.902 12.317 -0.268 1.00 0.00 C ATOM 948 C ASN A 64 9.499 12.448 -1.749 1.00 0.00 C ATOM 949 O ASN A 64 9.195 11.488 -2.461 1.00 0.00 O ATOM 950 CB ASN A 64 10.154 10.854 0.079 1.00 0.00 C ATOM 951 CG ASN A 64 10.659 10.609 1.487 1.00 0.00 C ATOM 952 OD1 ASN A 64 11.771 10.963 1.855 1.00 0.00 O ATOM 953 ND2 ASN A 64 9.860 9.982 2.316 1.00 0.00 N ATOM 0 H ASN A 64 7.961 12.698 0.386 1.00 0.00 H new ATOM 0 HA ASN A 64 10.828 12.875 -0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.227 10.298 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.879 10.448 -0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.165 9.788 3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.933 9.688 2.007 1.00 0.00 H new ATOM 960 N THR A 65 9.512 13.681 -2.221 1.00 0.00 N ATOM 961 CA THR A 65 9.106 14.065 -3.592 1.00 0.00 C ATOM 962 C THR A 65 10.093 13.551 -4.643 1.00 0.00 C ATOM 963 O THR A 65 9.695 13.144 -5.736 1.00 0.00 O ATOM 964 CB THR A 65 8.963 15.594 -3.725 1.00 0.00 C ATOM 965 OG1 THR A 65 8.292 16.137 -2.603 1.00 0.00 O ATOM 966 CG2 THR A 65 8.166 15.996 -4.967 1.00 0.00 C ATOM 0 H THR A 65 9.811 14.477 -1.658 1.00 0.00 H new ATOM 0 HA THR A 65 8.137 13.600 -3.772 1.00 0.00 H new ATOM 0 HB THR A 65 9.978 15.983 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.442 15.667 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.093 17.082 -5.016 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.671 15.625 -5.859 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.165 15.567 -4.912 1.00 0.00 H new ATOM 974 N ASN A 66 11.386 13.528 -4.303 1.00 0.00 N ATOM 975 CA ASN A 66 12.473 13.033 -5.159 1.00 0.00 C ATOM 976 C ASN A 66 12.372 11.524 -5.445 1.00 0.00 C ATOM 977 O ASN A 66 12.622 11.081 -6.565 1.00 0.00 O ATOM 978 CB ASN A 66 13.829 13.436 -4.543 1.00 0.00 C ATOM 979 CG ASN A 66 14.285 12.595 -3.353 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.884 11.538 -3.501 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.031 13.034 -2.140 1.00 0.00 N ATOM 0 H ASN A 66 11.716 13.863 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 66 12.383 13.503 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.592 13.380 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.770 14.478 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.333 12.494 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.532 13.914 -2.010 1.00 0.00 H new ATOM 988 N THR A 67 11.919 10.765 -4.451 1.00 0.00 N ATOM 989 CA THR A 67 11.561 9.342 -4.595 1.00 0.00 C ATOM 990 C THR A 67 10.294 9.195 -5.438 1.00 0.00 C ATOM 991 O THR A 67 10.277 8.443 -6.407 1.00 0.00 O ATOM 992 CB THR A 67 11.342 8.688 -3.215 1.00 0.00 C ATOM 993 OG1 THR A 67 12.393 9.013 -2.336 1.00 0.00 O ATOM 994 CG2 THR A 67 11.281 7.165 -3.284 1.00 0.00 C ATOM 0 H THR A 67 11.785 11.120 -3.504 1.00 0.00 H new ATOM 0 HA THR A 67 12.387 8.837 -5.095 1.00 0.00 H new ATOM 0 HB THR A 67 10.387 9.075 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.833 8.191 -2.034 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.126 6.761 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.456 6.863 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.218 6.781 -3.688 1.00 0.00 H new ATOM 1002 N CYS A 68 9.240 9.954 -5.126 1.00 0.00 N ATOM 1003 CA CYS A 68 7.918 9.749 -5.724 1.00 0.00 C ATOM 1004 C CYS A 68 7.857 10.087 -7.218 1.00 0.00 C ATOM 1005 O CYS A 68 7.288 9.316 -7.992 1.00 0.00 O ATOM 1006 CB CYS A 68 6.878 10.558 -4.947 1.00 0.00 C ATOM 1007 SG CYS A 68 6.286 9.734 -3.455 1.00 0.00 S ATOM 0 H CYS A 68 9.278 10.723 -4.457 1.00 0.00 H new ATOM 0 HA CYS A 68 7.699 8.683 -5.654 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.310 11.521 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.029 10.764 -5.599 1.00 0.00 H new ATOM 1012 N ASN A 69 8.457 11.204 -7.650 1.00 0.00 N ATOM 1013 CA ASN A 69 8.414 11.565 -9.076 1.00 0.00 C ATOM 1014 C ASN A 69 9.246 10.617 -9.952 1.00 0.00 C ATOM 1015 O ASN A 69 8.845 10.249 -11.058 1.00 0.00 O ATOM 1016 CB ASN A 69 8.820 13.032 -9.261 1.00 0.00 C ATOM 1017 CG ASN A 69 10.309 13.305 -9.369 1.00 0.00 C ATOM 1018 OD1 ASN A 69 10.901 13.258 -10.442 1.00 0.00 O ATOM 1019 ND2 ASN A 69 10.956 13.621 -8.278 1.00 0.00 N ATOM 0 H ASN A 69 8.965 11.858 -7.054 1.00 0.00 H new ATOM 0 HA ASN A 69 7.386 11.449 -9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.336 13.411 -10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.426 13.605 -8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.954 13.829 -8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.463 13.660 -7.386 1.00 0.00 H new ATOM 1026 N LYS A 70 10.376 10.161 -9.401 1.00 0.00 N ATOM 1027 CA LYS A 70 11.231 9.107 -9.980 1.00 0.00 C ATOM 1028 C LYS A 70 10.529 7.736 -10.056 1.00 0.00 C ATOM 1029 O LYS A 70 10.820 6.941 -10.952 1.00 0.00 O ATOM 1030 CB LYS A 70 12.529 9.049 -9.153 1.00 0.00 C ATOM 1031 CG LYS A 70 13.568 8.066 -9.716 1.00 0.00 C ATOM 1032 CD LYS A 70 14.952 8.247 -9.069 1.00 0.00 C ATOM 1033 CE LYS A 70 14.917 8.056 -7.545 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.277 8.186 -6.953 1.00 0.00 N ATOM 0 H LYS A 70 10.735 10.521 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 70 11.457 9.357 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.969 10.046 -9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.287 8.763 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.224 7.045 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.652 8.207 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.650 7.533 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.330 9.243 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.251 8.795 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.507 7.074 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.222 8.052 -5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.904 7.465 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.656 9.132 -7.159 1.00 0.00 H new ATOM 1048 N TYR A 71 9.583 7.478 -9.145 1.00 0.00 N ATOM 1049 CA TYR A 71 8.793 6.227 -9.079 1.00 0.00 C ATOM 1050 C TYR A 71 7.513 6.289 -9.934 1.00 0.00 C ATOM 1051 O TYR A 71 6.835 5.278 -10.135 1.00 0.00 O ATOM 1052 CB TYR A 71 8.445 5.910 -7.609 1.00 0.00 C ATOM 1053 CG TYR A 71 9.534 5.252 -6.773 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.902 5.523 -6.998 1.00 0.00 C ATOM 1055 CD2 TYR A 71 9.161 4.356 -5.751 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.887 4.906 -6.202 1.00 0.00 C ATOM 1057 CE2 TYR A 71 10.146 3.743 -4.949 1.00 0.00 C ATOM 1058 CZ TYR A 71 11.514 4.021 -5.171 1.00 0.00 C ATOM 1059 OH TYR A 71 12.458 3.426 -4.389 1.00 0.00 O ATOM 0 H TYR A 71 9.334 8.144 -8.413 1.00 0.00 H new ATOM 0 HA TYR A 71 9.408 5.428 -9.494 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.157 6.840 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.570 5.260 -7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.194 6.205 -7.783 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.117 4.138 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.932 5.112 -6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.855 3.060 -4.164 1.00 0.00 H new ATOM 0 HH TYR A 71 12.020 2.849 -3.729 1.00 0.00 H new ATOM 1069 N GLY A 72 7.192 7.475 -10.448 1.00 0.00 N ATOM 1070 CA GLY A 72 6.068 7.735 -11.361 1.00 0.00 C ATOM 1071 C GLY A 72 4.757 8.115 -10.662 1.00 0.00 C ATOM 1072 O GLY A 72 3.691 8.021 -11.270 1.00 0.00 O ATOM 0 H GLY A 72 7.726 8.318 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.348 8.538 -12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.897 6.847 -11.969 1.00 0.00 H new ATOM 1076 N VAL A 73 4.810 8.553 -9.398 1.00 0.00 N ATOM 1077 CA VAL A 73 3.648 8.990 -8.593 1.00 0.00 C ATOM 1078 C VAL A 73 3.241 10.433 -8.975 1.00 0.00 C ATOM 1079 O VAL A 73 3.211 11.351 -8.155 1.00 0.00 O ATOM 1080 CB VAL A 73 3.918 8.829 -7.078 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.604 8.915 -6.287 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.558 7.484 -6.708 1.00 0.00 C ATOM 0 H VAL A 73 5.689 8.617 -8.885 1.00 0.00 H new ATOM 0 HA VAL A 73 2.802 8.342 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 73 4.608 9.635 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.812 8.800 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.136 9.884 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.930 8.122 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.718 7.441 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.897 6.671 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.514 7.383 -7.221 1.00 0.00 H new ATOM 1092 N SER A 74 2.967 10.647 -10.262 1.00 0.00 N ATOM 1093 CA SER A 74 2.557 11.938 -10.848 1.00 0.00 C ATOM 1094 C SER A 74 1.070 12.282 -10.604 1.00 0.00 C ATOM 1095 O SER A 74 0.610 13.346 -11.030 1.00 0.00 O ATOM 1096 CB SER A 74 2.829 11.924 -12.361 1.00 0.00 C ATOM 1097 OG SER A 74 4.195 11.654 -12.627 1.00 0.00 O ATOM 0 H SER A 74 3.025 9.903 -10.957 1.00 0.00 H new ATOM 0 HA SER A 74 3.147 12.707 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.205 11.169 -12.840 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.554 12.886 -12.793 1.00 0.00 H new ATOM 0 HG SER A 74 4.345 11.648 -13.595 1.00 0.00 H new ATOM 1103 N GLY A 75 0.301 11.403 -9.947 1.00 0.00 N ATOM 1104 CA GLY A 75 -1.156 11.515 -9.801 1.00 0.00 C ATOM 1105 C GLY A 75 -1.712 10.656 -8.659 1.00 0.00 C ATOM 1106 O GLY A 75 -2.604 9.830 -8.880 1.00 0.00 O ATOM 0 H GLY A 75 0.684 10.575 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.419 12.558 -9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.633 11.220 -10.736 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.142 10.813 -7.458 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.571 10.129 -6.231 1.00 0.00 C ATOM 1112 C TYR A 76 -3.090 10.292 -5.924 1.00 0.00 C ATOM 1113 O TYR A 76 -3.689 11.294 -6.334 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.685 10.559 -5.041 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.180 11.994 -5.034 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -1.098 13.058 -4.970 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.201 12.265 -5.118 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.651 14.384 -5.092 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.658 13.593 -5.203 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.733 14.655 -5.210 1.00 0.00 C ATOM 1121 OH TYR A 76 1.190 15.931 -5.323 1.00 0.00 O ATOM 0 H TYR A 76 -0.348 11.436 -7.308 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.434 9.061 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.249 10.395 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.180 9.896 -5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.149 12.855 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.910 11.451 -5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.363 15.196 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.717 13.798 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 76 2.167 15.923 -5.393 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.720 9.357 -5.176 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.125 8.162 -4.569 1.00 0.00 C ATOM 1133 C PRO A 77 -2.735 7.104 -5.611 1.00 0.00 C ATOM 1134 O PRO A 77 -3.407 6.925 -6.630 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.190 7.611 -3.613 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.508 8.062 -4.244 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.150 9.400 -4.888 1.00 0.00 C ATOM 0 HA PRO A 77 -2.198 8.418 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.134 6.525 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.070 8.011 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.867 7.344 -4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.294 8.173 -3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.724 9.556 -5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.385 10.227 -4.218 1.00 0.00 H new ATOM 1145 N THR A 78 -1.634 6.400 -5.343 1.00 0.00 N ATOM 1146 CA THR A 78 -1.052 5.399 -6.253 1.00 0.00 C ATOM 1147 C THR A 78 -0.645 4.166 -5.454 1.00 0.00 C ATOM 1148 O THR A 78 0.302 4.211 -4.666 1.00 0.00 O ATOM 1149 CB THR A 78 0.150 5.983 -7.019 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.218 7.146 -7.741 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.766 5.016 -8.029 1.00 0.00 C ATOM 0 H THR A 78 -1.110 6.507 -4.475 1.00 0.00 H new ATOM 0 HA THR A 78 -1.800 5.112 -6.992 1.00 0.00 H new ATOM 0 HB THR A 78 0.884 6.204 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.564 7.497 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.606 5.498 -8.529 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.116 4.123 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.016 4.736 -8.769 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.386 3.062 -5.629 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.084 1.777 -4.987 1.00 0.00 C ATOM 1161 C LEU A 79 -0.260 0.875 -5.923 1.00 0.00 C ATOM 1162 O LEU A 79 -0.575 0.728 -7.109 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.380 1.078 -4.527 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.072 1.707 -3.304 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.148 2.735 -3.683 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.762 0.621 -2.480 1.00 0.00 C ATOM 0 H LEU A 79 -2.215 3.037 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.479 1.971 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.084 1.073 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.150 0.038 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.285 2.211 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.598 3.142 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.693 3.543 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.917 2.251 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.249 1.074 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.508 0.117 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.022 -0.103 -2.140 1.00 0.00 H new ATOM 1178 N LYS A 80 0.793 0.250 -5.380 1.00 0.00 N ATOM 1179 CA LYS A 80 1.801 -0.547 -6.109 1.00 0.00 C ATOM 1180 C LYS A 80 2.118 -1.862 -5.382 1.00 0.00 C ATOM 1181 O LYS A 80 1.948 -1.967 -4.166 1.00 0.00 O ATOM 1182 CB LYS A 80 3.087 0.288 -6.297 1.00 0.00 C ATOM 1183 CG LYS A 80 2.992 1.316 -7.432 1.00 0.00 C ATOM 1184 CD LYS A 80 4.268 2.179 -7.479 1.00 0.00 C ATOM 1185 CE LYS A 80 4.375 3.057 -8.737 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.672 2.251 -9.953 1.00 0.00 N ATOM 0 H LYS A 80 0.978 0.285 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 80 1.389 -0.805 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.312 0.807 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.921 -0.385 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.855 0.805 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.120 1.952 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.296 2.819 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.139 1.526 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.441 3.600 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.158 3.801 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.887 2.887 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.491 1.636 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.846 1.666 -10.192 1.00 0.00 H new ATOM 1200 N ILE A 81 2.607 -2.856 -6.131 1.00 0.00 N ATOM 1201 CA ILE A 81 2.846 -4.232 -5.667 1.00 0.00 C ATOM 1202 C ILE A 81 4.309 -4.625 -5.917 1.00 0.00 C ATOM 1203 O ILE A 81 4.833 -4.457 -7.022 1.00 0.00 O ATOM 1204 CB ILE A 81 1.873 -5.199 -6.380 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.433 -4.928 -5.903 1.00 0.00 C ATOM 1206 CG2 ILE A 81 2.248 -6.675 -6.145 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.632 -5.731 -6.654 1.00 0.00 C ATOM 0 H ILE A 81 2.857 -2.723 -7.111 1.00 0.00 H new ATOM 0 HA ILE A 81 2.662 -4.293 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 81 1.945 -5.017 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.364 -5.157 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.218 -3.865 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.537 -7.318 -6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.252 -6.861 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.220 -6.892 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.618 -5.485 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.593 -5.484 -7.715 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.445 -6.797 -6.522 1.00 0.00 H new ATOM 1219 N PHE A 82 4.934 -5.192 -4.885 1.00 0.00 N ATOM 1220 CA PHE A 82 6.354 -5.538 -4.843 1.00 0.00 C ATOM 1221 C PHE A 82 6.556 -6.989 -4.388 1.00 0.00 C ATOM 1222 O PHE A 82 6.600 -7.282 -3.189 1.00 0.00 O ATOM 1223 CB PHE A 82 7.096 -4.581 -3.909 1.00 0.00 C ATOM 1224 CG PHE A 82 7.202 -3.144 -4.365 1.00 0.00 C ATOM 1225 CD1 PHE A 82 6.088 -2.292 -4.306 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.441 -2.642 -4.796 1.00 0.00 C ATOM 1227 CE1 PHE A 82 6.210 -0.949 -4.705 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.562 -1.297 -5.190 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.444 -0.448 -5.148 1.00 0.00 C ATOM 0 H PHE A 82 4.446 -5.432 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 82 6.760 -5.442 -5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.599 -4.596 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.104 -4.966 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.138 -2.667 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.304 -3.291 -4.825 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.348 -0.299 -4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.516 -0.917 -5.525 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.533 0.584 -5.455 1.00 0.00 H new ATOM 1239 N ARG A 83 6.674 -7.906 -5.347 1.00 0.00 N ATOM 1240 CA ARG A 83 6.958 -9.326 -5.077 1.00 0.00 C ATOM 1241 C ARG A 83 8.379 -9.478 -4.524 1.00 0.00 C ATOM 1242 O ARG A 83 9.328 -8.947 -5.099 1.00 0.00 O ATOM 1243 CB ARG A 83 6.774 -10.180 -6.344 1.00 0.00 C ATOM 1244 CG ARG A 83 6.577 -11.665 -5.989 1.00 0.00 C ATOM 1245 CD ARG A 83 6.806 -12.561 -7.211 1.00 0.00 C ATOM 1246 NE ARG A 83 6.272 -13.922 -7.012 1.00 0.00 N ATOM 1247 CZ ARG A 83 6.824 -14.930 -6.356 1.00 0.00 C ATOM 1248 NH1 ARG A 83 7.946 -14.832 -5.702 1.00 0.00 N ATOM 1249 NH2 ARG A 83 6.233 -16.091 -6.335 1.00 0.00 N ATOM 0 H ARG A 83 6.576 -7.690 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 83 6.248 -9.684 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.913 -9.820 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.645 -10.070 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.267 -11.946 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.569 -11.819 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.332 -12.111 -8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.874 -12.619 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 83 5.362 -14.110 -7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.446 -13.943 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.324 -15.644 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.347 -16.221 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.656 -16.870 -5.830 1.00 0.00 H new ATOM 1263 N ASP A 84 8.510 -10.181 -3.402 1.00 0.00 N ATOM 1264 CA ASP A 84 9.764 -10.322 -2.636 1.00 0.00 C ATOM 1265 C ASP A 84 10.451 -8.974 -2.290 1.00 0.00 C ATOM 1266 O ASP A 84 11.661 -8.922 -2.052 1.00 0.00 O ATOM 1267 CB ASP A 84 10.724 -11.284 -3.367 1.00 0.00 C ATOM 1268 CG ASP A 84 10.074 -12.627 -3.740 1.00 0.00 C ATOM 1269 OD1 ASP A 84 9.908 -13.495 -2.848 1.00 0.00 O ATOM 1270 OD2 ASP A 84 9.754 -12.838 -4.937 1.00 0.00 O ATOM 0 H ASP A 84 7.730 -10.686 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 84 9.494 -10.749 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.090 -10.802 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.591 -11.472 -2.734 1.00 0.00 H new ATOM 1275 N GLY A 85 9.694 -7.867 -2.294 1.00 0.00 N ATOM 1276 CA GLY A 85 10.207 -6.514 -2.042 1.00 0.00 C ATOM 1277 C GLY A 85 10.749 -5.770 -3.277 1.00 0.00 C ATOM 1278 O GLY A 85 11.461 -4.776 -3.130 1.00 0.00 O ATOM 0 H GLY A 85 8.691 -7.888 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.408 -5.917 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.003 -6.578 -1.300 1.00 0.00 H new ATOM 1282 N GLU A 86 10.411 -6.210 -4.491 1.00 0.00 N ATOM 1283 CA GLU A 86 10.805 -5.593 -5.769 1.00 0.00 C ATOM 1284 C GLU A 86 9.580 -5.469 -6.693 1.00 0.00 C ATOM 1285 O GLU A 86 8.762 -6.383 -6.775 1.00 0.00 O ATOM 1286 CB GLU A 86 11.895 -6.430 -6.460 1.00 0.00 C ATOM 1287 CG GLU A 86 13.294 -6.257 -5.850 1.00 0.00 C ATOM 1288 CD GLU A 86 14.027 -5.015 -6.401 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.529 -3.873 -6.261 1.00 0.00 O ATOM 1290 OE2 GLU A 86 15.125 -5.179 -6.993 1.00 0.00 O ATOM 0 H GLU A 86 9.832 -7.039 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 86 11.204 -4.600 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.616 -7.483 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.933 -6.159 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.207 -6.173 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.889 -7.147 -6.054 1.00 0.00 H new ATOM 1297 N GLU A 87 9.418 -4.318 -7.355 1.00 0.00 N ATOM 1298 CA GLU A 87 8.191 -3.972 -8.102 1.00 0.00 C ATOM 1299 C GLU A 87 7.805 -5.061 -9.122 1.00 0.00 C ATOM 1300 O GLU A 87 8.637 -5.473 -9.942 1.00 0.00 O ATOM 1301 CB GLU A 87 8.349 -2.606 -8.784 1.00 0.00 C ATOM 1302 CG GLU A 87 7.031 -2.096 -9.388 1.00 0.00 C ATOM 1303 CD GLU A 87 7.215 -0.736 -10.100 1.00 0.00 C ATOM 1304 OE1 GLU A 87 7.938 -0.673 -11.126 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.631 0.281 -9.650 1.00 0.00 O ATOM 0 H GLU A 87 10.135 -3.593 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 87 7.374 -3.911 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.717 -1.881 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.101 -2.680 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.649 -2.829 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.285 -1.996 -8.600 1.00 0.00 H new ATOM 1312 N ALA A 88 6.545 -5.520 -9.090 1.00 0.00 N ATOM 1313 CA ALA A 88 6.077 -6.650 -9.905 1.00 0.00 C ATOM 1314 C ALA A 88 4.731 -6.354 -10.578 1.00 0.00 C ATOM 1315 O ALA A 88 4.330 -7.056 -11.510 1.00 0.00 O ATOM 1316 CB ALA A 88 6.013 -7.895 -9.009 1.00 0.00 C ATOM 0 H ALA A 88 5.820 -5.117 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 88 6.778 -6.826 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.667 -8.747 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.005 -8.107 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.321 -7.716 -8.186 1.00 0.00 H new ATOM 1322 N GLY A 89 4.049 -5.299 -10.131 1.00 0.00 N ATOM 1323 CA GLY A 89 2.840 -4.779 -10.741 1.00 0.00 C ATOM 1324 C GLY A 89 2.263 -3.618 -9.939 1.00 0.00 C ATOM 1325 O GLY A 89 2.974 -2.798 -9.358 1.00 0.00 O ATOM 0 H GLY A 89 4.338 -4.771 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.057 -4.448 -11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.098 -5.574 -10.816 1.00 0.00 H new ATOM 1329 N ALA A 90 0.942 -3.602 -9.908 1.00 0.00 N ATOM 1330 CA ALA A 90 0.106 -2.571 -9.296 1.00 0.00 C ATOM 1331 C ALA A 90 -1.291 -3.098 -8.925 1.00 0.00 C ATOM 1332 O ALA A 90 -1.808 -4.056 -9.506 1.00 0.00 O ATOM 1333 CB ALA A 90 -0.003 -1.378 -10.262 1.00 0.00 C ATOM 0 H ALA A 90 0.388 -4.347 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 90 0.577 -2.256 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.625 -0.603 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.991 -0.977 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.452 -1.708 -11.199 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.895 -2.434 -7.944 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.243 -2.695 -7.425 1.00 0.00 C ATOM 1341 C TYR A 91 -4.356 -2.432 -8.467 1.00 0.00 C ATOM 1342 O TYR A 91 -4.167 -1.710 -9.450 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.398 -1.804 -6.188 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.780 -1.767 -5.576 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.316 -2.912 -4.958 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.543 -0.588 -5.668 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.637 -2.886 -4.469 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.848 -0.556 -5.155 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.407 -1.713 -4.579 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.696 -1.704 -4.155 1.00 0.00 O ATOM 0 H TYR A 91 -1.439 -1.659 -7.462 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.354 -3.750 -7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.693 -2.142 -5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.112 -0.787 -6.457 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.718 -3.806 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.124 0.292 -6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.059 -3.767 -4.009 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.424 0.356 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.080 -2.600 -4.257 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.537 -3.028 -8.255 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.652 -3.025 -9.215 1.00 0.00 C ATOM 1362 C ASP A 92 -7.326 -1.653 -9.430 1.00 0.00 C ATOM 1363 O ASP A 92 -7.692 -1.337 -10.567 1.00 0.00 O ATOM 1364 CB ASP A 92 -7.684 -4.069 -8.768 1.00 0.00 C ATOM 1365 CG ASP A 92 -8.795 -4.259 -9.817 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -8.492 -4.729 -10.940 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -9.972 -3.951 -9.511 1.00 0.00 O ATOM 0 H ASP A 92 -5.749 -3.535 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.227 -3.274 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.184 -5.021 -8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.127 -3.760 -7.821 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.485 -0.846 -8.373 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.050 0.516 -8.449 1.00 0.00 C ATOM 1374 C GLY A 93 -9.103 0.952 -7.401 1.00 0.00 C ATOM 1375 O GLY A 93 -9.069 2.137 -7.051 1.00 0.00 O ATOM 0 H GLY A 93 -7.223 -1.120 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.220 1.220 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.500 0.631 -9.435 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.023 0.095 -6.890 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.160 0.503 -6.040 1.00 0.00 C ATOM 1381 C PRO A 94 -10.851 1.354 -4.796 1.00 0.00 C ATOM 1382 O PRO A 94 -11.666 2.202 -4.422 1.00 0.00 O ATOM 1383 CB PRO A 94 -11.854 -0.797 -5.641 1.00 0.00 C ATOM 1384 CG PRO A 94 -11.614 -1.698 -6.851 1.00 0.00 C ATOM 1385 CD PRO A 94 -10.215 -1.288 -7.305 1.00 0.00 C ATOM 0 HA PRO A 94 -11.773 1.186 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.427 -1.220 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.917 -0.646 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.660 -2.754 -6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.357 -1.534 -7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.459 -1.934 -6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.117 -1.384 -8.386 1.00 0.00 H new ATOM 1393 N ARG A 95 -9.668 1.165 -4.188 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.078 1.955 -3.084 1.00 0.00 C ATOM 1395 C ARG A 95 -10.052 2.280 -1.939 1.00 0.00 C ATOM 1396 O ARG A 95 -10.267 3.427 -1.553 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.243 3.129 -3.634 1.00 0.00 C ATOM 1398 CG ARG A 95 -9.015 4.237 -4.369 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.037 5.141 -5.126 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.729 6.196 -5.888 1.00 0.00 N ATOM 1401 CZ ARG A 95 -9.332 6.081 -7.062 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -9.439 4.947 -7.696 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -9.857 7.131 -7.627 1.00 0.00 N ATOM 0 H ARG A 95 -9.052 0.403 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.365 1.316 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.704 3.583 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.495 2.725 -4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.728 3.795 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.590 4.826 -3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.347 5.600 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.439 4.536 -5.807 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.746 7.123 -5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.049 4.097 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.913 4.910 -8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.803 8.039 -7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.322 7.045 -8.531 1.00 0.00 H new ATOM 1417 N THR A 96 -10.603 1.209 -1.378 1.00 0.00 N ATOM 1418 CA THR A 96 -11.427 1.145 -0.152 1.00 0.00 C ATOM 1419 C THR A 96 -11.109 -0.154 0.597 1.00 0.00 C ATOM 1420 O THR A 96 -10.640 -1.107 -0.025 1.00 0.00 O ATOM 1421 CB THR A 96 -12.939 1.163 -0.466 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.288 0.121 -1.358 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.413 2.487 -1.060 1.00 0.00 C ATOM 0 H THR A 96 -10.482 0.285 -1.793 1.00 0.00 H new ATOM 0 HA THR A 96 -11.190 2.022 0.450 1.00 0.00 H new ATOM 0 HB THR A 96 -13.435 1.022 0.494 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.251 0.154 -1.539 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.484 2.434 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.213 3.294 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.881 2.679 -1.992 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.350 -0.225 1.911 1.00 0.00 N ATOM 1432 CA ALA A 97 -11.029 -1.391 2.745 1.00 0.00 C ATOM 1433 C ALA A 97 -11.531 -2.733 2.173 1.00 0.00 C ATOM 1434 O ALA A 97 -10.778 -3.702 2.078 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.605 -1.160 4.153 1.00 0.00 C ATOM 0 H ALA A 97 -11.780 0.538 2.434 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.943 -1.478 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.375 -2.018 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.163 -0.262 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.686 -1.036 4.088 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.791 -2.756 1.739 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.438 -3.913 1.104 1.00 0.00 C ATOM 1443 C ASP A 98 -12.789 -4.280 -0.233 1.00 0.00 C ATOM 1444 O ASP A 98 -12.679 -5.455 -0.586 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.902 -3.557 0.839 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.763 -4.794 0.560 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.919 -5.636 1.477 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.306 -4.919 -0.564 1.00 0.00 O ATOM 0 H ASP A 98 -13.410 -1.950 1.820 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.337 -4.765 1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.305 -3.024 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.960 -2.878 -0.012 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.338 -3.257 -0.961 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.647 -3.367 -2.244 1.00 0.00 C ATOM 1455 C GLY A 99 -10.252 -3.988 -2.125 1.00 0.00 C ATOM 1456 O GLY A 99 -9.862 -4.759 -3.000 1.00 0.00 O ATOM 0 H GLY A 99 -12.450 -2.289 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.249 -3.970 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.560 -2.376 -2.689 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.507 -3.706 -1.047 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.203 -4.350 -0.793 1.00 0.00 C ATOM 1462 C ILE A 100 -8.385 -5.842 -0.477 1.00 0.00 C ATOM 1463 O ILE A 100 -7.739 -6.695 -1.084 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.412 -3.688 0.357 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.481 -2.151 0.449 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.945 -4.144 0.259 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -7.070 -1.376 -0.812 1.00 0.00 C ATOM 0 H ILE A 100 -9.784 -3.033 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.626 -4.224 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.897 -4.022 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.502 -1.869 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.844 -1.828 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.368 -3.688 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.895 -5.229 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.532 -3.839 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.159 -0.306 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.037 -1.615 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.721 -1.656 -1.640 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.309 -6.163 0.441 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.683 -7.549 0.761 1.00 0.00 C ATOM 1481 C VAL A 101 -10.181 -8.290 -0.483 1.00 0.00 C ATOM 1482 O VAL A 101 -9.711 -9.391 -0.766 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.728 -7.581 1.898 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.148 -9.015 2.252 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.167 -6.959 3.180 1.00 0.00 C ATOM 0 H VAL A 101 -9.819 -5.467 0.984 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.792 -8.071 1.111 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.584 -7.017 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.884 -8.991 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.584 -9.493 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.274 -9.580 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.924 -6.995 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.287 -7.517 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.890 -5.922 2.990 1.00 0.00 H new ATOM 1495 N SER A 102 -11.067 -7.677 -1.276 1.00 0.00 N ATOM 1496 CA SER A 102 -11.581 -8.274 -2.524 1.00 0.00 C ATOM 1497 C SER A 102 -10.464 -8.582 -3.530 1.00 0.00 C ATOM 1498 O SER A 102 -10.418 -9.684 -4.083 1.00 0.00 O ATOM 1499 CB SER A 102 -12.617 -7.366 -3.192 1.00 0.00 C ATOM 1500 OG SER A 102 -13.741 -7.176 -2.354 1.00 0.00 O ATOM 0 H SER A 102 -11.451 -6.754 -1.075 1.00 0.00 H new ATOM 0 HA SER A 102 -12.052 -9.213 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.165 -6.402 -3.424 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.934 -7.805 -4.138 1.00 0.00 H new ATOM 0 HG SER A 102 -13.584 -6.409 -1.764 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.523 -7.652 -3.731 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.359 -7.834 -4.595 1.00 0.00 C ATOM 1508 C HIS A 103 -7.467 -9.020 -4.165 1.00 0.00 C ATOM 1509 O HIS A 103 -6.908 -9.711 -5.025 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.585 -6.509 -4.621 1.00 0.00 C ATOM 1511 CG HIS A 103 -6.206 -6.594 -5.219 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.877 -6.628 -6.559 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -5.039 -6.673 -4.511 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.540 -6.709 -6.655 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.981 -6.744 -5.429 1.00 0.00 N ATOM 0 H HIS A 103 -9.553 -6.734 -3.287 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.695 -8.093 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.165 -5.777 -5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.501 -6.134 -3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.948 -6.680 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.990 -6.742 -7.584 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.986 -6.809 -5.212 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.355 -9.291 -2.860 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.693 -10.492 -2.336 1.00 0.00 C ATOM 1525 C LEU A 104 -7.533 -11.757 -2.583 1.00 0.00 C ATOM 1526 O LEU A 104 -7.026 -12.720 -3.159 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.341 -10.271 -0.850 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.528 -11.379 -0.142 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.401 -12.547 0.325 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.364 -11.915 -0.979 1.00 0.00 C ATOM 0 H LEU A 104 -7.724 -8.679 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.761 -10.661 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.781 -9.339 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.272 -10.132 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.108 -10.883 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.777 -13.295 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.150 -12.183 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.898 -12.996 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.839 -12.689 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.748 -12.337 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.675 -11.102 -1.207 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.817 -11.785 -2.197 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.661 -12.997 -2.323 1.00 0.00 C ATOM 1544 C LYS A 105 -9.782 -13.494 -3.767 1.00 0.00 C ATOM 1545 O LYS A 105 -9.771 -14.696 -4.016 1.00 0.00 O ATOM 1546 CB LYS A 105 -11.061 -12.758 -1.726 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.010 -12.530 -0.210 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.413 -12.395 0.409 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.090 -13.762 0.551 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.512 -13.634 0.961 1.00 0.00 N ATOM 0 H LYS A 105 -9.301 -10.983 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.156 -13.779 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.517 -11.893 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.698 -13.616 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.485 -13.361 0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.434 -11.629 0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.338 -11.920 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.027 -11.745 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.032 -14.296 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.552 -14.359 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.935 -14.580 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.566 -13.146 1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.031 -13.086 0.246 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.825 -12.561 -4.726 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.870 -12.798 -6.190 1.00 0.00 C ATOM 1566 C LYS A 106 -8.648 -13.523 -6.783 1.00 0.00 C ATOM 1567 O LYS A 106 -8.691 -13.911 -7.951 1.00 0.00 O ATOM 1568 CB LYS A 106 -10.103 -11.452 -6.903 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.570 -11.008 -6.791 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.768 -9.589 -7.341 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.226 -9.121 -7.229 1.00 0.00 C ATOM 1572 NZ LYS A 106 -14.117 -9.802 -8.209 1.00 0.00 N ATOM 0 H LYS A 106 -9.830 -11.567 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.696 -13.488 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.456 -10.690 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.827 -11.542 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.205 -11.704 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.884 -11.043 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.124 -8.898 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.458 -9.560 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.589 -9.311 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.272 -8.044 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.090 -9.453 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.788 -9.601 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.096 -10.828 -8.043 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.589 -13.742 -5.995 1.00 0.00 N ATOM 1587 CA GLN A 107 -6.399 -14.514 -6.363 1.00 0.00 C ATOM 1588 C GLN A 107 -6.066 -15.630 -5.356 1.00 0.00 C ATOM 1589 O GLN A 107 -5.651 -16.723 -5.751 1.00 0.00 O ATOM 1590 CB GLN A 107 -5.219 -13.551 -6.569 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.908 -12.590 -5.411 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.822 -11.573 -5.744 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.673 -11.911 -6.024 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -4.129 -10.294 -5.723 1.00 0.00 N ATOM 0 H GLN A 107 -7.537 -13.371 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.608 -15.034 -7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.326 -14.143 -6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.415 -12.957 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.819 -12.060 -5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.599 -13.169 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.078 -10.001 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.418 -9.595 -5.937 1.00 0.00 H new ATOM 1603 N ALA A 108 -6.299 -15.381 -4.063 1.00 0.00 N ATOM 1604 CA ALA A 108 -6.101 -16.358 -2.989 1.00 0.00 C ATOM 1605 C ALA A 108 -7.178 -17.466 -2.922 1.00 0.00 C ATOM 1606 O ALA A 108 -6.904 -18.567 -2.429 1.00 0.00 O ATOM 1607 CB ALA A 108 -6.059 -15.596 -1.658 1.00 0.00 C ATOM 0 H ALA A 108 -6.636 -14.478 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.166 -16.878 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.912 -16.301 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.236 -14.882 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.999 -15.063 -1.514 1.00 0.00 H new