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 7 THR OG1 : rot 163:sc= 2.06 USER MOD Set 1.2: A 64 ASN : amide:sc= 1.54 K(o=4.6,f=1.1) USER MOD Set 1.3: A 67 THR OG1 : rot 176:sc= 1.04 USER MOD Single : A 10 ASN : amide:sc= 0.338 K(o=0.34,f=-7.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 18 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 172:sc= 0 (180deg=-0.0236) USER MOD Single : A 43 TYR OH : rot 159:sc= 0.89 USER MOD Single : A 48 THR OG1 : rot 66:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.17) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1.74 (180deg=1.71) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -31:sc= 1.2 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 69 ASN : amide:sc= 0.963 K(o=0.96,f=-0.007) 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+ -173:sc= 1.25 (180deg=1.2) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -70:sc= 0.693 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 103 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.053) 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= 0.876 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -1.830 -0.368 11.929 1.00 0.00 N ATOM 15 CA ASP A 2 -1.406 -1.662 11.356 1.00 0.00 C ATOM 16 C ASP A 2 -0.640 -1.531 10.015 1.00 0.00 C ATOM 17 O ASP A 2 0.055 -2.460 9.604 1.00 0.00 O ATOM 18 CB ASP A 2 -2.638 -2.560 11.186 1.00 0.00 C ATOM 19 CG ASP A 2 -3.268 -2.913 12.546 1.00 0.00 C ATOM 20 OD1 ASP A 2 -4.124 -2.147 13.050 1.00 0.00 O ATOM 21 OD2 ASP A 2 -2.888 -3.952 13.135 1.00 0.00 O ATOM 0 HA ASP A 2 -0.698 -2.108 12.055 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.375 -2.055 10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.354 -3.475 10.666 1.00 0.00 H new ATOM 26 N VAL A 3 -0.742 -0.376 9.337 1.00 0.00 N ATOM 27 CA VAL A 3 0.023 -0.029 8.123 1.00 0.00 C ATOM 28 C VAL A 3 1.463 0.357 8.492 1.00 0.00 C ATOM 29 O VAL A 3 1.680 1.166 9.401 1.00 0.00 O ATOM 30 CB VAL A 3 -0.648 1.154 7.384 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.058 1.447 6.062 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.124 0.882 7.067 1.00 0.00 C ATOM 0 H VAL A 3 -1.379 0.367 9.626 1.00 0.00 H new ATOM 0 HA VAL A 3 0.039 -0.901 7.469 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.573 2.006 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.434 2.282 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.100 1.702 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.013 0.566 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.549 1.741 6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.203 -0.000 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.670 0.711 7.995 1.00 0.00 H new ATOM 42 N LEU A 4 2.452 -0.171 7.766 1.00 0.00 N ATOM 43 CA LEU A 4 3.857 0.252 7.882 1.00 0.00 C ATOM 44 C LEU A 4 4.067 1.664 7.308 1.00 0.00 C ATOM 45 O LEU A 4 3.626 1.963 6.201 1.00 0.00 O ATOM 46 CB LEU A 4 4.746 -0.746 7.118 1.00 0.00 C ATOM 47 CG LEU A 4 4.793 -2.180 7.675 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.646 -3.030 6.727 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.423 -2.237 9.071 1.00 0.00 C ATOM 0 H LEU A 4 2.304 -0.908 7.077 1.00 0.00 H new ATOM 0 HA LEU A 4 4.125 0.272 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.401 -0.791 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.763 -0.353 7.098 1.00 0.00 H new ATOM 0 HG LEU A 4 3.771 -2.551 7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.695 -4.053 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.198 -3.027 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.652 -2.615 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.435 -3.268 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.444 -1.858 9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.839 -1.625 9.759 1.00 0.00 H new ATOM 61 N GLU A 5 4.805 2.519 8.014 1.00 0.00 N ATOM 62 CA GLU A 5 5.098 3.900 7.591 1.00 0.00 C ATOM 63 C GLU A 5 6.574 4.013 7.173 1.00 0.00 C ATOM 64 O GLU A 5 7.460 4.182 8.020 1.00 0.00 O ATOM 65 CB GLU A 5 4.731 4.897 8.706 1.00 0.00 C ATOM 66 CG GLU A 5 3.239 4.867 9.059 1.00 0.00 C ATOM 67 CD GLU A 5 2.877 6.019 10.013 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.997 5.858 11.251 1.00 0.00 O ATOM 69 OE2 GLU A 5 2.466 7.102 9.522 1.00 0.00 O ATOM 0 H GLU A 5 5.226 2.274 8.910 1.00 0.00 H new ATOM 0 HA GLU A 5 4.486 4.153 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.316 4.670 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.006 5.904 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.644 4.943 8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.990 3.913 9.524 1.00 0.00 H new ATOM 76 N LEU A 6 6.834 3.879 5.867 1.00 0.00 N ATOM 77 CA LEU A 6 8.176 3.710 5.299 1.00 0.00 C ATOM 78 C LEU A 6 8.592 4.834 4.334 1.00 0.00 C ATOM 79 O LEU A 6 7.782 5.667 3.920 1.00 0.00 O ATOM 80 CB LEU A 6 8.224 2.341 4.575 1.00 0.00 C ATOM 81 CG LEU A 6 7.790 1.118 5.411 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.959 -0.160 4.591 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.596 0.971 6.699 1.00 0.00 C ATOM 0 H LEU A 6 6.099 3.885 5.159 1.00 0.00 H new ATOM 0 HA LEU A 6 8.890 3.754 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.588 2.397 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.242 2.173 4.224 1.00 0.00 H new ATOM 0 HG LEU A 6 6.745 1.278 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.651 -1.019 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.342 -0.101 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.005 -0.273 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.249 0.095 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.652 0.852 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.464 1.861 7.315 1.00 0.00 H new ATOM 95 N THR A 7 9.878 4.837 3.966 1.00 0.00 N ATOM 96 CA THR A 7 10.479 5.674 2.911 1.00 0.00 C ATOM 97 C THR A 7 11.841 5.101 2.482 1.00 0.00 C ATOM 98 O THR A 7 12.323 4.142 3.080 1.00 0.00 O ATOM 99 CB THR A 7 10.587 7.135 3.380 1.00 0.00 C ATOM 100 OG1 THR A 7 10.851 7.992 2.293 1.00 0.00 O ATOM 101 CG2 THR A 7 11.649 7.394 4.443 1.00 0.00 C ATOM 0 H THR A 7 10.564 4.229 4.414 1.00 0.00 H new ATOM 0 HA THR A 7 9.831 5.662 2.034 1.00 0.00 H new ATOM 0 HB THR A 7 9.617 7.340 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.644 8.916 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.648 8.451 4.708 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.430 6.798 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.629 7.119 4.053 1.00 0.00 H new ATOM 109 N ASP A 8 12.495 5.667 1.465 1.00 0.00 N ATOM 110 CA ASP A 8 13.768 5.183 0.890 1.00 0.00 C ATOM 111 C ASP A 8 14.893 4.934 1.926 1.00 0.00 C ATOM 112 O ASP A 8 15.739 4.056 1.743 1.00 0.00 O ATOM 113 CB ASP A 8 14.215 6.199 -0.166 1.00 0.00 C ATOM 114 CG ASP A 8 15.512 5.783 -0.878 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.465 4.851 -1.715 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.574 6.409 -0.634 1.00 0.00 O ATOM 0 H ASP A 8 12.147 6.504 0.998 1.00 0.00 H new ATOM 0 HA ASP A 8 13.583 4.201 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.423 6.321 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.361 7.169 0.308 1.00 0.00 H new ATOM 121 N ASP A 9 14.881 5.679 3.038 1.00 0.00 N ATOM 122 CA ASP A 9 15.811 5.546 4.167 1.00 0.00 C ATOM 123 C ASP A 9 15.730 4.194 4.914 1.00 0.00 C ATOM 124 O ASP A 9 16.708 3.781 5.546 1.00 0.00 O ATOM 125 CB ASP A 9 15.520 6.693 5.151 1.00 0.00 C ATOM 126 CG ASP A 9 16.572 6.796 6.270 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.734 7.176 5.984 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.233 6.538 7.450 1.00 0.00 O ATOM 0 H ASP A 9 14.196 6.421 3.182 1.00 0.00 H new ATOM 0 HA ASP A 9 16.821 5.590 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.484 7.635 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.536 6.544 5.595 1.00 0.00 H new ATOM 133 N ASN A 10 14.577 3.511 4.858 1.00 0.00 N ATOM 134 CA ASN A 10 14.281 2.308 5.661 1.00 0.00 C ATOM 135 C ASN A 10 13.557 1.167 4.908 1.00 0.00 C ATOM 136 O ASN A 10 13.619 0.015 5.347 1.00 0.00 O ATOM 137 CB ASN A 10 13.519 2.750 6.927 1.00 0.00 C ATOM 138 CG ASN A 10 12.179 3.436 6.665 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.371 3.019 5.850 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.887 4.522 7.346 1.00 0.00 N ATOM 0 H ASN A 10 13.809 3.781 4.244 1.00 0.00 H new ATOM 0 HA ASN A 10 15.235 1.852 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.346 1.875 7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.153 3.429 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.999 4.999 7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.548 4.887 8.032 1.00 0.00 H new ATOM 147 N PHE A 11 12.921 1.456 3.769 1.00 0.00 N ATOM 148 CA PHE A 11 12.134 0.494 2.978 1.00 0.00 C ATOM 149 C PHE A 11 12.950 -0.731 2.534 1.00 0.00 C ATOM 150 O PHE A 11 12.465 -1.859 2.571 1.00 0.00 O ATOM 151 CB PHE A 11 11.540 1.243 1.775 1.00 0.00 C ATOM 152 CG PHE A 11 10.551 0.434 0.962 1.00 0.00 C ATOM 153 CD1 PHE A 11 10.985 -0.382 -0.103 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.180 0.497 1.273 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.048 -1.137 -0.835 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.252 -0.278 0.552 1.00 0.00 C ATOM 157 CZ PHE A 11 8.681 -1.096 -0.502 1.00 0.00 C ATOM 0 H PHE A 11 12.937 2.389 3.357 1.00 0.00 H new ATOM 0 HA PHE A 11 11.339 0.091 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.045 2.146 2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.353 1.562 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.034 -0.428 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.838 1.143 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.381 -1.752 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.204 -0.242 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.968 -1.690 -1.054 1.00 0.00 H new ATOM 167 N GLU A 12 14.227 -0.514 2.189 1.00 0.00 N ATOM 168 CA GLU A 12 15.199 -1.507 1.709 1.00 0.00 C ATOM 169 C GLU A 12 15.571 -2.602 2.727 1.00 0.00 C ATOM 170 O GLU A 12 16.350 -3.507 2.421 1.00 0.00 O ATOM 171 CB GLU A 12 16.484 -0.786 1.264 1.00 0.00 C ATOM 172 CG GLU A 12 16.275 0.169 0.081 1.00 0.00 C ATOM 173 CD GLU A 12 17.632 0.654 -0.462 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.340 1.427 0.230 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.010 0.262 -1.596 1.00 0.00 O ATOM 0 H GLU A 12 14.635 0.419 2.241 1.00 0.00 H new ATOM 0 HA GLU A 12 14.707 -2.020 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.886 -0.224 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.232 -1.530 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.719 -0.336 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.676 1.023 0.396 1.00 0.00 H new ATOM 182 N SER A 13 15.024 -2.537 3.942 1.00 0.00 N ATOM 183 CA SER A 13 15.141 -3.547 5.009 1.00 0.00 C ATOM 184 C SER A 13 13.772 -3.940 5.592 1.00 0.00 C ATOM 185 O SER A 13 13.668 -4.366 6.745 1.00 0.00 O ATOM 186 CB SER A 13 16.138 -3.058 6.065 1.00 0.00 C ATOM 187 OG SER A 13 17.395 -2.870 5.434 1.00 0.00 O ATOM 0 H SER A 13 14.457 -1.739 4.229 1.00 0.00 H new ATOM 0 HA SER A 13 15.534 -4.471 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.793 -2.125 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.223 -3.785 6.873 1.00 0.00 H new ATOM 0 HG SER A 13 18.048 -2.555 6.093 1.00 0.00 H new ATOM 193 N ARG A 14 12.707 -3.795 4.787 1.00 0.00 N ATOM 194 CA ARG A 14 11.322 -4.245 5.092 1.00 0.00 C ATOM 195 C ARG A 14 10.693 -5.108 3.993 1.00 0.00 C ATOM 196 O ARG A 14 9.762 -5.861 4.264 1.00 0.00 O ATOM 197 CB ARG A 14 10.431 -3.018 5.317 1.00 0.00 C ATOM 198 CG ARG A 14 10.888 -2.099 6.457 1.00 0.00 C ATOM 199 CD ARG A 14 10.794 -2.766 7.835 1.00 0.00 C ATOM 200 NE ARG A 14 11.256 -1.860 8.908 1.00 0.00 N ATOM 201 CZ ARG A 14 12.479 -1.757 9.396 1.00 0.00 C ATOM 202 NH1 ARG A 14 13.478 -2.473 8.968 1.00 0.00 N ATOM 203 NH2 ARG A 14 12.728 -0.899 10.351 1.00 0.00 N ATOM 0 H ARG A 14 12.780 -3.347 3.873 1.00 0.00 H new ATOM 0 HA ARG A 14 11.392 -4.866 5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.392 -2.439 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.416 -3.356 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.918 -1.791 6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.279 -1.195 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.763 -3.063 8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.394 -3.676 7.842 1.00 0.00 H new ATOM 0 HE ARG A 14 10.552 -1.246 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.335 -3.153 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.404 -2.354 9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.979 -0.312 10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.671 -0.817 10.730 1.00 0.00 H new ATOM 217 N ILE A 15 11.239 -5.066 2.772 1.00 0.00 N ATOM 218 CA ILE A 15 10.841 -5.901 1.619 1.00 0.00 C ATOM 219 C ILE A 15 10.889 -7.412 1.897 1.00 0.00 C ATOM 220 O ILE A 15 10.229 -8.210 1.230 1.00 0.00 O ATOM 221 CB ILE A 15 11.662 -5.546 0.353 1.00 0.00 C ATOM 222 CG1 ILE A 15 13.039 -6.242 0.215 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.821 -4.033 0.176 1.00 0.00 C ATOM 224 CD1 ILE A 15 14.046 -5.907 1.325 1.00 0.00 C ATOM 0 H ILE A 15 12.000 -4.426 2.545 1.00 0.00 H new ATOM 0 HA ILE A 15 9.793 -5.662 1.437 1.00 0.00 H new ATOM 0 HB ILE A 15 11.052 -5.954 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.885 -7.321 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.474 -5.967 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.403 -3.831 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.838 -3.572 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.336 -3.617 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.979 -6.440 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.237 -4.834 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.638 -6.209 2.290 1.00 0.00 H new ATOM 236 N SER A 16 11.671 -7.795 2.906 1.00 0.00 N ATOM 237 CA SER A 16 11.900 -9.175 3.353 1.00 0.00 C ATOM 238 C SER A 16 10.692 -9.786 4.072 1.00 0.00 C ATOM 239 O SER A 16 10.603 -11.011 4.200 1.00 0.00 O ATOM 240 CB SER A 16 13.130 -9.215 4.274 1.00 0.00 C ATOM 241 OG SER A 16 13.007 -8.269 5.326 1.00 0.00 O ATOM 0 H SER A 16 12.190 -7.118 3.465 1.00 0.00 H new ATOM 0 HA SER A 16 12.068 -9.777 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.245 -10.216 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.030 -9.006 3.695 1.00 0.00 H new ATOM 0 HG SER A 16 13.800 -8.313 5.900 1.00 0.00 H new ATOM 247 N ASP A 17 9.731 -8.963 4.502 1.00 0.00 N ATOM 248 CA ASP A 17 8.496 -9.423 5.159 1.00 0.00 C ATOM 249 C ASP A 17 7.497 -10.124 4.197 1.00 0.00 C ATOM 250 O ASP A 17 6.496 -10.700 4.627 1.00 0.00 O ATOM 251 CB ASP A 17 7.849 -8.235 5.894 1.00 0.00 C ATOM 252 CG ASP A 17 6.841 -8.693 6.964 1.00 0.00 C ATOM 253 OD1 ASP A 17 7.185 -9.562 7.802 1.00 0.00 O ATOM 254 OD2 ASP A 17 5.709 -8.154 7.006 1.00 0.00 O ATOM 0 H ASP A 17 9.785 -7.949 4.405 1.00 0.00 H new ATOM 0 HA ASP A 17 8.770 -10.196 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.627 -7.633 6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.343 -7.594 5.171 1.00 0.00 H new ATOM 259 N THR A 18 7.792 -10.101 2.895 1.00 0.00 N ATOM 260 CA THR A 18 7.013 -10.738 1.814 1.00 0.00 C ATOM 261 C THR A 18 6.975 -12.270 1.829 1.00 0.00 C ATOM 262 O THR A 18 6.082 -12.846 1.209 1.00 0.00 O ATOM 263 CB THR A 18 7.544 -10.335 0.428 1.00 0.00 C ATOM 264 OG1 THR A 18 8.943 -10.464 0.316 1.00 0.00 O ATOM 265 CG2 THR A 18 7.160 -8.901 0.107 1.00 0.00 C ATOM 0 H THR A 18 8.618 -9.617 2.542 1.00 0.00 H new ATOM 0 HA THR A 18 6.004 -10.373 2.004 1.00 0.00 H new ATOM 0 HB THR A 18 7.085 -11.022 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.368 -9.602 0.509 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.544 -8.633 -0.877 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.074 -8.805 0.111 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.586 -8.234 0.856 1.00 0.00 H new ATOM 273 N GLY A 19 7.925 -12.930 2.498 1.00 0.00 N ATOM 274 CA GLY A 19 8.163 -14.389 2.441 1.00 0.00 C ATOM 275 C GLY A 19 6.921 -15.291 2.498 1.00 0.00 C ATOM 276 O GLY A 19 6.791 -16.213 1.686 1.00 0.00 O ATOM 0 H GLY A 19 8.578 -12.452 3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.703 -14.610 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.819 -14.660 3.268 1.00 0.00 H new ATOM 280 N SER A 20 5.979 -15.005 3.409 1.00 0.00 N ATOM 281 CA SER A 20 4.736 -15.790 3.583 1.00 0.00 C ATOM 282 C SER A 20 3.578 -15.353 2.669 1.00 0.00 C ATOM 283 O SER A 20 2.649 -16.126 2.427 1.00 0.00 O ATOM 284 CB SER A 20 4.265 -15.684 5.035 1.00 0.00 C ATOM 285 OG SER A 20 5.240 -16.209 5.926 1.00 0.00 O ATOM 0 H SER A 20 6.054 -14.218 4.053 1.00 0.00 H new ATOM 0 HA SER A 20 4.992 -16.813 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.066 -14.641 5.281 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.327 -16.225 5.157 1.00 0.00 H new ATOM 0 HG SER A 20 4.918 -16.129 6.848 1.00 0.00 H new ATOM 291 N ALA A 21 3.629 -14.123 2.151 1.00 0.00 N ATOM 292 CA ALA A 21 2.566 -13.493 1.360 1.00 0.00 C ATOM 293 C ALA A 21 2.768 -13.626 -0.161 1.00 0.00 C ATOM 294 O ALA A 21 1.801 -13.582 -0.924 1.00 0.00 O ATOM 295 CB ALA A 21 2.547 -12.014 1.751 1.00 0.00 C ATOM 0 H ALA A 21 4.440 -13.516 2.275 1.00 0.00 H new ATOM 0 HA ALA A 21 1.624 -13.997 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.769 -11.499 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.343 -11.922 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.515 -11.566 1.527 1.00 0.00 H new ATOM 301 N GLY A 22 4.021 -13.745 -0.617 1.00 0.00 N ATOM 302 CA GLY A 22 4.410 -13.764 -2.033 1.00 0.00 C ATOM 303 C GLY A 22 4.605 -12.374 -2.651 1.00 0.00 C ATOM 304 O GLY A 22 5.368 -12.239 -3.610 1.00 0.00 O ATOM 0 H GLY A 22 4.820 -13.834 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.337 -14.328 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.648 -14.298 -2.600 1.00 0.00 H new ATOM 308 N LEU A 23 3.979 -11.326 -2.103 1.00 0.00 N ATOM 309 CA LEU A 23 4.147 -9.928 -2.527 1.00 0.00 C ATOM 310 C LEU A 23 3.897 -8.925 -1.382 1.00 0.00 C ATOM 311 O LEU A 23 3.403 -9.290 -0.316 1.00 0.00 O ATOM 312 CB LEU A 23 3.264 -9.650 -3.770 1.00 0.00 C ATOM 313 CG LEU A 23 1.729 -9.640 -3.579 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.200 -8.329 -2.987 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.054 -9.817 -4.942 1.00 0.00 C ATOM 0 H LEU A 23 3.322 -11.429 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 23 5.189 -9.779 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.557 -8.683 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.502 -10.400 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 23 1.501 -10.450 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.117 -8.389 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.653 -8.162 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.453 -7.502 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.029 -9.811 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.347 -9.000 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.363 -10.766 -5.380 1.00 0.00 H new ATOM 327 N MET A 24 4.213 -7.656 -1.644 1.00 0.00 N ATOM 328 CA MET A 24 3.911 -6.493 -0.798 1.00 0.00 C ATOM 329 C MET A 24 3.056 -5.485 -1.574 1.00 0.00 C ATOM 330 O MET A 24 3.230 -5.325 -2.786 1.00 0.00 O ATOM 331 CB MET A 24 5.240 -5.863 -0.353 1.00 0.00 C ATOM 332 CG MET A 24 5.162 -4.758 0.702 1.00 0.00 C ATOM 333 SD MET A 24 6.826 -4.264 1.238 1.00 0.00 S ATOM 334 CE MET A 24 6.425 -3.086 2.556 1.00 0.00 C ATOM 0 H MET A 24 4.712 -7.395 -2.494 1.00 0.00 H new ATOM 0 HA MET A 24 3.343 -6.799 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.879 -6.657 0.033 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.735 -5.456 -1.235 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.635 -3.896 0.294 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.587 -5.107 1.560 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.338 -2.801 3.080 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.963 -2.199 2.123 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.733 -3.549 3.259 1.00 0.00 H new ATOM 344 N LEU A 25 2.176 -4.775 -0.867 1.00 0.00 N ATOM 345 CA LEU A 25 1.348 -3.695 -1.405 1.00 0.00 C ATOM 346 C LEU A 25 1.689 -2.400 -0.655 1.00 0.00 C ATOM 347 O LEU A 25 1.790 -2.396 0.573 1.00 0.00 O ATOM 348 CB LEU A 25 -0.133 -4.080 -1.239 1.00 0.00 C ATOM 349 CG LEU A 25 -1.134 -3.039 -1.781 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.082 -2.912 -3.305 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.558 -3.443 -1.407 1.00 0.00 C ATOM 0 H LEU A 25 2.015 -4.941 0.126 1.00 0.00 H new ATOM 0 HA LEU A 25 1.540 -3.536 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.307 -5.029 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.336 -4.242 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.855 -2.084 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.806 -2.166 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.082 -2.605 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.321 -3.874 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.259 -2.703 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.785 -4.418 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.648 -3.497 -0.322 1.00 0.00 H new ATOM 363 N VAL A 26 1.886 -1.297 -1.378 1.00 0.00 N ATOM 364 CA VAL A 26 2.320 -0.025 -0.783 1.00 0.00 C ATOM 365 C VAL A 26 1.580 1.154 -1.410 1.00 0.00 C ATOM 366 O VAL A 26 1.392 1.185 -2.622 1.00 0.00 O ATOM 367 CB VAL A 26 3.847 0.156 -0.915 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.382 1.372 -0.144 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.667 -1.093 -0.569 1.00 0.00 C ATOM 0 H VAL A 26 1.751 -1.256 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 26 2.073 -0.053 0.278 1.00 0.00 H new ATOM 0 HB VAL A 26 3.986 0.339 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.461 1.442 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.910 2.279 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.155 1.259 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.728 -0.876 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.470 -1.383 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.386 -1.909 -1.235 1.00 0.00 H new ATOM 379 N GLU A 27 1.165 2.126 -0.596 1.00 0.00 N ATOM 380 CA GLU A 27 0.373 3.292 -0.996 1.00 0.00 C ATOM 381 C GLU A 27 1.195 4.585 -0.880 1.00 0.00 C ATOM 382 O GLU A 27 1.519 5.050 0.212 1.00 0.00 O ATOM 383 CB GLU A 27 -0.901 3.355 -0.132 1.00 0.00 C ATOM 384 CG GLU A 27 -1.824 4.514 -0.528 1.00 0.00 C ATOM 385 CD GLU A 27 -3.111 4.501 0.319 1.00 0.00 C ATOM 386 OE1 GLU A 27 -3.104 5.085 1.434 1.00 0.00 O ATOM 387 OE2 GLU A 27 -4.126 3.928 -0.144 1.00 0.00 O ATOM 0 H GLU A 27 1.380 2.123 0.401 1.00 0.00 H new ATOM 0 HA GLU A 27 0.087 3.192 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.445 2.415 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.620 3.460 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.304 5.462 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.078 4.438 -1.585 1.00 0.00 H new ATOM 394 N PHE A 28 1.528 5.183 -2.016 1.00 0.00 N ATOM 395 CA PHE A 28 2.200 6.474 -2.096 1.00 0.00 C ATOM 396 C PHE A 28 1.125 7.569 -2.165 1.00 0.00 C ATOM 397 O PHE A 28 0.288 7.561 -3.075 1.00 0.00 O ATOM 398 CB PHE A 28 3.148 6.469 -3.300 1.00 0.00 C ATOM 399 CG PHE A 28 4.235 5.403 -3.270 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.937 4.054 -3.557 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.563 5.760 -2.967 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.941 3.072 -3.491 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.573 4.783 -2.935 1.00 0.00 C ATOM 404 CZ PHE A 28 6.261 3.432 -3.180 1.00 0.00 C ATOM 0 H PHE A 28 1.334 4.774 -2.930 1.00 0.00 H new ATOM 0 HA PHE A 28 2.814 6.673 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.557 6.336 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.624 7.447 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.930 3.774 -3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.807 6.791 -2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.695 2.037 -3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.592 5.070 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.032 2.678 -3.129 1.00 0.00 H new ATOM 414 N PHE A 29 1.104 8.468 -1.182 1.00 0.00 N ATOM 415 CA PHE A 29 0.003 9.424 -0.970 1.00 0.00 C ATOM 416 C PHE A 29 0.467 10.751 -0.340 1.00 0.00 C ATOM 417 O PHE A 29 1.563 10.828 0.202 1.00 0.00 O ATOM 418 CB PHE A 29 -1.047 8.711 -0.095 1.00 0.00 C ATOM 419 CG PHE A 29 -2.263 9.523 0.315 1.00 0.00 C ATOM 420 CD1 PHE A 29 -3.096 10.119 -0.657 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.573 9.686 1.682 1.00 0.00 C ATOM 422 CE1 PHE A 29 -4.224 10.868 -0.271 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.707 10.427 2.070 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.530 11.017 1.094 1.00 0.00 C ATOM 0 H PHE A 29 1.856 8.559 -0.499 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.421 9.713 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.394 7.828 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.552 8.360 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.866 9.999 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.938 9.241 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.852 11.327 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.944 10.542 3.117 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.398 11.585 1.393 1.00 0.00 H new ATOM 434 N ALA A 30 -0.369 11.795 -0.383 1.00 0.00 N ATOM 435 CA ALA A 30 -0.128 13.099 0.245 1.00 0.00 C ATOM 436 C ALA A 30 -1.246 13.413 1.277 1.00 0.00 C ATOM 437 O ALA A 30 -2.327 13.845 0.870 1.00 0.00 O ATOM 438 CB ALA A 30 -0.008 14.160 -0.857 1.00 0.00 C ATOM 0 H ALA A 30 -1.263 11.754 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 30 0.807 13.093 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.171 15.135 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.822 13.907 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.932 14.192 -1.434 1.00 0.00 H new ATOM 444 N PRO A 31 -1.015 13.164 2.592 1.00 0.00 N ATOM 445 CA PRO A 31 -1.968 13.328 3.709 1.00 0.00 C ATOM 446 C PRO A 31 -2.606 14.719 3.979 1.00 0.00 C ATOM 447 O PRO A 31 -2.905 15.031 5.137 1.00 0.00 O ATOM 448 CB PRO A 31 -1.228 12.839 4.960 1.00 0.00 C ATOM 449 CG PRO A 31 -0.228 11.837 4.419 1.00 0.00 C ATOM 450 CD PRO A 31 0.159 12.449 3.081 1.00 0.00 C ATOM 0 HA PRO A 31 -2.850 12.756 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.732 13.660 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.910 12.378 5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.633 11.726 5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.669 10.847 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.005 13.127 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.463 11.676 2.375 1.00 0.00 H new ATOM 550 N ARG A 38 -10.555 10.632 4.027 1.00 0.00 N ATOM 551 CA ARG A 38 -11.294 9.767 3.089 1.00 0.00 C ATOM 552 C ARG A 38 -10.604 8.430 2.788 1.00 0.00 C ATOM 553 O ARG A 38 -11.261 7.520 2.280 1.00 0.00 O ATOM 554 CB ARG A 38 -11.537 10.520 1.764 1.00 0.00 C ATOM 555 CG ARG A 38 -12.061 11.960 1.926 1.00 0.00 C ATOM 556 CD ARG A 38 -12.259 12.622 0.556 1.00 0.00 C ATOM 557 NE ARG A 38 -12.457 14.080 0.688 1.00 0.00 N ATOM 558 CZ ARG A 38 -13.587 14.747 0.842 1.00 0.00 C ATOM 559 NH1 ARG A 38 -14.750 14.168 0.889 1.00 0.00 N ATOM 560 NH2 ARG A 38 -13.550 16.044 0.945 1.00 0.00 N ATOM 0 HA ARG A 38 -12.234 9.526 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.603 10.549 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.251 9.954 1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.005 11.950 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.357 12.544 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.391 12.426 -0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.121 12.179 0.057 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.609 14.647 0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.818 13.154 0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.594 14.728 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.656 16.533 0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.415 16.571 1.064 1.00 0.00 H new ATOM 574 N LEU A 39 -9.313 8.307 3.108 1.00 0.00 N ATOM 575 CA LEU A 39 -8.464 7.171 2.724 1.00 0.00 C ATOM 576 C LEU A 39 -7.654 6.586 3.893 1.00 0.00 C ATOM 577 O LEU A 39 -7.386 5.387 3.903 1.00 0.00 O ATOM 578 CB LEU A 39 -7.545 7.676 1.600 1.00 0.00 C ATOM 579 CG LEU A 39 -6.676 6.590 0.954 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.513 5.561 0.183 1.00 0.00 C ATOM 581 CD2 LEU A 39 -5.718 7.279 -0.017 1.00 0.00 C ATOM 0 H LEU A 39 -8.815 9.010 3.654 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.091 6.344 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.158 8.140 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.895 8.453 2.001 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.144 6.054 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.854 4.812 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.211 5.075 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.070 6.064 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.084 6.532 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.290 7.809 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.095 7.988 0.528 1.00 0.00 H new ATOM 593 N ALA A 40 -7.317 7.387 4.913 1.00 0.00 N ATOM 594 CA ALA A 40 -6.618 6.906 6.110 1.00 0.00 C ATOM 595 C ALA A 40 -7.354 5.754 6.836 1.00 0.00 C ATOM 596 O ALA A 40 -6.694 4.762 7.161 1.00 0.00 O ATOM 597 CB ALA A 40 -6.310 8.080 7.048 1.00 0.00 C ATOM 0 H ALA A 40 -7.522 8.386 4.930 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.676 6.469 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.791 7.712 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.678 8.803 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.241 8.561 7.347 1.00 0.00 H new ATOM 603 N PRO A 41 -8.693 5.802 7.052 1.00 0.00 N ATOM 604 CA PRO A 41 -9.415 4.694 7.684 1.00 0.00 C ATOM 605 C PRO A 41 -9.650 3.502 6.740 1.00 0.00 C ATOM 606 O PRO A 41 -9.973 2.409 7.210 1.00 0.00 O ATOM 607 CB PRO A 41 -10.743 5.294 8.165 1.00 0.00 C ATOM 608 CG PRO A 41 -11.013 6.397 7.147 1.00 0.00 C ATOM 609 CD PRO A 41 -9.615 6.911 6.817 1.00 0.00 C ATOM 0 HA PRO A 41 -8.827 4.278 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.541 4.551 8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.663 5.690 9.177 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.521 6.014 6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.644 7.183 7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.561 7.247 5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.359 7.766 7.443 1.00 0.00 H new ATOM 617 N GLU A 42 -9.504 3.670 5.418 1.00 0.00 N ATOM 618 CA GLU A 42 -9.715 2.592 4.445 1.00 0.00 C ATOM 619 C GLU A 42 -8.505 1.656 4.369 1.00 0.00 C ATOM 620 O GLU A 42 -8.639 0.431 4.447 1.00 0.00 O ATOM 621 CB GLU A 42 -9.968 3.190 3.049 1.00 0.00 C ATOM 622 CG GLU A 42 -11.294 3.961 2.928 1.00 0.00 C ATOM 623 CD GLU A 42 -12.512 3.050 3.166 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.588 1.980 2.521 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.392 3.399 3.992 1.00 0.00 O ATOM 0 H GLU A 42 -9.236 4.558 4.994 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.580 2.017 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.146 3.860 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.959 2.385 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.306 4.778 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.364 4.409 1.937 1.00 0.00 H new ATOM 632 N TYR A 43 -7.303 2.215 4.232 1.00 0.00 N ATOM 633 CA TYR A 43 -6.106 1.397 4.029 1.00 0.00 C ATOM 634 C TYR A 43 -5.644 0.666 5.308 1.00 0.00 C ATOM 635 O TYR A 43 -5.146 -0.456 5.237 1.00 0.00 O ATOM 636 CB TYR A 43 -5.011 2.281 3.430 1.00 0.00 C ATOM 637 CG TYR A 43 -3.863 1.512 2.815 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.054 0.763 1.637 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.590 1.581 3.403 1.00 0.00 C ATOM 640 CE1 TYR A 43 -2.961 0.111 1.028 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.498 0.940 2.798 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.673 0.223 1.596 1.00 0.00 C ATOM 643 OH TYR A 43 -0.588 -0.317 0.987 1.00 0.00 O ATOM 0 H TYR A 43 -7.132 3.220 4.257 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.345 0.594 3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.454 2.923 2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.620 2.935 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.039 0.688 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.451 2.129 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.109 -0.472 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.521 0.996 3.254 1.00 0.00 H new ATOM 0 HH TYR A 43 0.224 0.122 1.316 1.00 0.00 H new ATOM 653 N GLU A 44 -5.882 1.243 6.496 1.00 0.00 N ATOM 654 CA GLU A 44 -5.650 0.538 7.765 1.00 0.00 C ATOM 655 C GLU A 44 -6.658 -0.586 8.025 1.00 0.00 C ATOM 656 O GLU A 44 -6.298 -1.619 8.590 1.00 0.00 O ATOM 657 CB GLU A 44 -5.590 1.539 8.927 1.00 0.00 C ATOM 658 CG GLU A 44 -6.934 2.135 9.372 1.00 0.00 C ATOM 659 CD GLU A 44 -6.781 3.094 10.571 1.00 0.00 C ATOM 660 OE1 GLU A 44 -5.839 3.921 10.610 1.00 0.00 O ATOM 661 OE2 GLU A 44 -7.602 3.006 11.517 1.00 0.00 O ATOM 0 H GLU A 44 -6.234 2.194 6.604 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.683 0.042 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.133 1.044 9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.929 2.357 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.386 2.670 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.616 1.328 9.640 1.00 0.00 H new ATOM 668 N ALA A 45 -7.901 -0.428 7.565 1.00 0.00 N ATOM 669 CA ALA A 45 -8.888 -1.504 7.570 1.00 0.00 C ATOM 670 C ALA A 45 -8.464 -2.654 6.638 1.00 0.00 C ATOM 671 O ALA A 45 -8.564 -3.813 7.031 1.00 0.00 O ATOM 672 CB ALA A 45 -10.271 -0.934 7.228 1.00 0.00 C ATOM 0 H ALA A 45 -8.249 0.450 7.179 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.948 -1.938 8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.007 -1.738 7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.549 -0.184 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.241 -0.474 6.240 1.00 0.00 H new ATOM 678 N ALA A 46 -7.906 -2.366 5.451 1.00 0.00 N ATOM 679 CA ALA A 46 -7.319 -3.391 4.580 1.00 0.00 C ATOM 680 C ALA A 46 -6.132 -4.103 5.259 1.00 0.00 C ATOM 681 O ALA A 46 -6.082 -5.332 5.269 1.00 0.00 O ATOM 682 CB ALA A 46 -6.887 -2.761 3.252 1.00 0.00 C ATOM 0 H ALA A 46 -7.850 -1.421 5.072 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.080 -4.147 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.452 -3.527 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.754 -2.323 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.147 -1.984 3.442 1.00 0.00 H new ATOM 688 N ALA A 47 -5.229 -3.354 5.898 1.00 0.00 N ATOM 689 CA ALA A 47 -4.070 -3.904 6.608 1.00 0.00 C ATOM 690 C ALA A 47 -4.465 -4.743 7.837 1.00 0.00 C ATOM 691 O ALA A 47 -3.788 -5.716 8.165 1.00 0.00 O ATOM 692 CB ALA A 47 -3.137 -2.749 6.996 1.00 0.00 C ATOM 0 H ALA A 47 -5.283 -2.336 5.937 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.552 -4.592 5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.270 -3.144 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.807 -2.230 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.670 -2.052 7.642 1.00 0.00 H new ATOM 698 N THR A 48 -5.585 -4.405 8.487 1.00 0.00 N ATOM 699 CA THR A 48 -6.202 -5.199 9.566 1.00 0.00 C ATOM 700 C THR A 48 -6.846 -6.486 9.032 1.00 0.00 C ATOM 701 O THR A 48 -6.683 -7.552 9.628 1.00 0.00 O ATOM 702 CB THR A 48 -7.268 -4.367 10.313 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.705 -3.169 10.802 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.863 -5.083 11.526 1.00 0.00 C ATOM 0 H THR A 48 -6.103 -3.552 8.275 1.00 0.00 H new ATOM 0 HA THR A 48 -5.403 -5.475 10.255 1.00 0.00 H new ATOM 0 HB THR A 48 -8.053 -4.190 9.577 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.442 -2.600 10.049 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.604 -4.440 12.001 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.340 -6.009 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.070 -5.311 12.239 1.00 0.00 H new ATOM 712 N ARG A 49 -7.557 -6.416 7.896 1.00 0.00 N ATOM 713 CA ARG A 49 -8.294 -7.550 7.297 1.00 0.00 C ATOM 714 C ARG A 49 -7.384 -8.564 6.582 1.00 0.00 C ATOM 715 O ARG A 49 -7.709 -9.751 6.541 1.00 0.00 O ATOM 716 CB ARG A 49 -9.395 -6.997 6.367 1.00 0.00 C ATOM 717 CG ARG A 49 -10.531 -6.345 7.181 1.00 0.00 C ATOM 718 CD ARG A 49 -11.446 -5.434 6.348 1.00 0.00 C ATOM 719 NE ARG A 49 -12.402 -6.183 5.506 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.306 -5.646 4.698 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.444 -4.358 4.570 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.085 -6.405 3.987 1.00 0.00 N ATOM 0 H ARG A 49 -7.640 -5.556 7.355 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.754 -8.119 8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.965 -6.264 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.798 -7.804 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.134 -7.129 7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.096 -5.763 7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.000 -4.776 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.832 -4.797 5.711 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.363 -7.201 5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.845 -3.726 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.151 -3.981 3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.003 -7.420 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.778 -5.986 3.367 1.00 0.00 H new ATOM 736 N LEU A 50 -6.226 -8.117 6.082 1.00 0.00 N ATOM 737 CA LEU A 50 -5.184 -8.922 5.417 1.00 0.00 C ATOM 738 C LEU A 50 -3.947 -9.165 6.318 1.00 0.00 C ATOM 739 O LEU A 50 -2.923 -9.630 5.824 1.00 0.00 O ATOM 740 CB LEU A 50 -4.778 -8.233 4.092 1.00 0.00 C ATOM 741 CG LEU A 50 -5.713 -8.466 2.891 1.00 0.00 C ATOM 742 CD1 LEU A 50 -7.183 -8.141 3.127 1.00 0.00 C ATOM 743 CD2 LEU A 50 -5.244 -7.602 1.716 1.00 0.00 C ATOM 0 H LEU A 50 -5.973 -7.130 6.131 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.602 -9.907 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.710 -7.160 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.779 -8.575 3.820 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.654 -9.537 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.750 -8.341 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.567 -8.760 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.285 -7.089 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.902 -7.762 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.272 -6.551 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.225 -7.878 1.446 1.00 0.00 H new ATOM 755 N LYS A 51 -4.015 -8.875 7.623 1.00 0.00 N ATOM 756 CA LYS A 51 -2.858 -8.844 8.551 1.00 0.00 C ATOM 757 C LYS A 51 -1.967 -10.097 8.571 1.00 0.00 C ATOM 758 O LYS A 51 -0.751 -9.982 8.741 1.00 0.00 O ATOM 759 CB LYS A 51 -3.359 -8.482 9.961 1.00 0.00 C ATOM 760 CG LYS A 51 -2.217 -8.151 10.933 1.00 0.00 C ATOM 761 CD LYS A 51 -2.757 -7.494 12.212 1.00 0.00 C ATOM 762 CE LYS A 51 -1.603 -7.183 13.176 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.067 -6.360 14.321 1.00 0.00 N ATOM 0 H LYS A 51 -4.896 -8.648 8.084 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.187 -8.077 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.032 -7.627 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.939 -9.314 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.676 -9.062 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.505 -7.483 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.289 -6.576 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.475 -8.157 12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.173 -8.114 13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.812 -6.656 12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.328 -6.335 15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.265 -5.392 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.934 -6.775 14.718 1.00 0.00 H new ATOM 777 N GLY A 52 -2.558 -11.268 8.357 1.00 0.00 N ATOM 778 CA GLY A 52 -1.848 -12.557 8.279 1.00 0.00 C ATOM 779 C GLY A 52 -1.639 -13.070 6.848 1.00 0.00 C ATOM 780 O GLY A 52 -1.189 -14.206 6.688 1.00 0.00 O ATOM 0 H GLY A 52 -3.566 -11.358 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.877 -12.455 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.408 -13.303 8.843 1.00 0.00 H new ATOM 784 N ILE A 53 -1.958 -12.263 5.828 1.00 0.00 N ATOM 785 CA ILE A 53 -2.025 -12.675 4.410 1.00 0.00 C ATOM 786 C ILE A 53 -1.149 -11.803 3.487 1.00 0.00 C ATOM 787 O ILE A 53 -0.486 -12.349 2.605 1.00 0.00 O ATOM 788 CB ILE A 53 -3.488 -12.657 3.884 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.579 -13.136 4.872 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.570 -13.474 2.582 1.00 0.00 C ATOM 791 CD1 ILE A 53 -4.493 -14.619 5.252 1.00 0.00 C ATOM 0 H ILE A 53 -2.184 -11.278 5.964 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.635 -13.693 4.383 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.714 -11.603 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.515 -12.538 5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.558 -12.944 4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.594 -13.464 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.908 -13.036 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.265 -14.502 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.296 -14.864 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.590 -15.231 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.531 -14.818 5.725 1.00 0.00 H new ATOM 803 N VAL A 54 -1.120 -10.479 3.687 1.00 0.00 N ATOM 804 CA VAL A 54 -0.364 -9.516 2.851 1.00 0.00 C ATOM 805 C VAL A 54 0.189 -8.352 3.696 1.00 0.00 C ATOM 806 O VAL A 54 -0.593 -7.697 4.392 1.00 0.00 O ATOM 807 CB VAL A 54 -1.230 -8.910 1.716 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.360 -8.164 0.691 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.044 -9.933 0.921 1.00 0.00 C ATOM 0 H VAL A 54 -1.630 -10.030 4.448 1.00 0.00 H new ATOM 0 HA VAL A 54 0.454 -10.088 2.413 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.915 -8.245 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.995 -7.750 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.176 -7.356 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.357 -8.857 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.618 -9.420 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.370 -10.651 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.725 -10.457 1.592 1.00 0.00 H new ATOM 819 N PRO A 55 1.498 -8.036 3.636 1.00 0.00 N ATOM 820 CA PRO A 55 2.059 -6.824 4.234 1.00 0.00 C ATOM 821 C PRO A 55 1.663 -5.570 3.435 1.00 0.00 C ATOM 822 O PRO A 55 1.869 -5.504 2.219 1.00 0.00 O ATOM 823 CB PRO A 55 3.573 -7.034 4.248 1.00 0.00 C ATOM 824 CG PRO A 55 3.824 -7.965 3.065 1.00 0.00 C ATOM 825 CD PRO A 55 2.554 -8.814 3.001 1.00 0.00 C ATOM 0 HA PRO A 55 1.676 -6.659 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.108 -6.091 4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.906 -7.480 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.980 -7.407 2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.710 -8.580 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.296 -9.047 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.697 -9.764 3.515 1.00 0.00 H new ATOM 833 N LEU A 56 1.132 -4.557 4.135 1.00 0.00 N ATOM 834 CA LEU A 56 0.707 -3.269 3.570 1.00 0.00 C ATOM 835 C LEU A 56 1.545 -2.119 4.161 1.00 0.00 C ATOM 836 O LEU A 56 1.766 -2.065 5.375 1.00 0.00 O ATOM 837 CB LEU A 56 -0.803 -3.044 3.822 1.00 0.00 C ATOM 838 CG LEU A 56 -1.715 -3.436 2.642 1.00 0.00 C ATOM 839 CD1 LEU A 56 -1.754 -4.940 2.370 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.150 -2.990 2.925 1.00 0.00 C ATOM 0 H LEU A 56 0.982 -4.614 5.142 1.00 0.00 H new ATOM 0 HA LEU A 56 0.872 -3.287 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.101 -3.617 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.966 -1.992 4.057 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.293 -2.940 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.415 -5.140 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.750 -5.294 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.125 -5.460 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.790 -3.270 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.509 -3.474 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.176 -1.908 3.056 1.00 0.00 H new ATOM 852 N ALA A 57 1.965 -1.170 3.314 1.00 0.00 N ATOM 853 CA ALA A 57 2.764 -0.013 3.727 1.00 0.00 C ATOM 854 C ALA A 57 2.282 1.278 3.062 1.00 0.00 C ATOM 855 O ALA A 57 1.532 1.226 2.085 1.00 0.00 O ATOM 856 CB ALA A 57 4.227 -0.289 3.356 1.00 0.00 C ATOM 0 H ALA A 57 1.757 -1.186 2.316 1.00 0.00 H new ATOM 0 HA ALA A 57 2.659 0.128 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.844 0.559 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.570 -1.186 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.308 -0.436 2.279 1.00 0.00 H new ATOM 862 N LYS A 58 2.756 2.430 3.536 1.00 0.00 N ATOM 863 CA LYS A 58 2.561 3.723 2.867 1.00 0.00 C ATOM 864 C LYS A 58 3.821 4.589 2.874 1.00 0.00 C ATOM 865 O LYS A 58 4.725 4.379 3.688 1.00 0.00 O ATOM 866 CB LYS A 58 1.340 4.460 3.450 1.00 0.00 C ATOM 867 CG LYS A 58 1.556 4.961 4.886 1.00 0.00 C ATOM 868 CD LYS A 58 0.376 5.845 5.314 1.00 0.00 C ATOM 869 CE LYS A 58 0.546 6.369 6.740 1.00 0.00 C ATOM 870 NZ LYS A 58 1.659 7.349 6.860 1.00 0.00 N ATOM 0 H LYS A 58 3.291 2.496 4.402 1.00 0.00 H new ATOM 0 HA LYS A 58 2.355 3.517 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.098 5.308 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.479 3.791 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.652 4.114 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.486 5.526 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.284 6.686 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.550 5.274 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.383 6.838 7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.731 5.531 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.776 7.622 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.540 6.918 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.441 8.193 6.294 1.00 0.00 H new ATOM 884 N VAL A 59 3.833 5.582 1.982 1.00 0.00 N ATOM 885 CA VAL A 59 4.885 6.597 1.817 1.00 0.00 C ATOM 886 C VAL A 59 4.207 7.956 1.630 1.00 0.00 C ATOM 887 O VAL A 59 3.313 8.104 0.795 1.00 0.00 O ATOM 888 CB VAL A 59 5.798 6.287 0.612 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.945 7.300 0.500 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.429 4.891 0.690 1.00 0.00 C ATOM 0 H VAL A 59 3.069 5.710 1.318 1.00 0.00 H new ATOM 0 HA VAL A 59 5.520 6.600 2.703 1.00 0.00 H new ATOM 0 HB VAL A 59 5.146 6.343 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.568 7.051 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.535 8.302 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.549 7.268 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.061 4.728 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.033 4.815 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.642 4.137 0.715 1.00 0.00 H new ATOM 900 N ASP A 60 4.614 8.947 2.428 1.00 0.00 N ATOM 901 CA ASP A 60 3.928 10.236 2.533 1.00 0.00 C ATOM 902 C ASP A 60 4.623 11.287 1.650 1.00 0.00 C ATOM 903 O ASP A 60 5.547 11.964 2.090 1.00 0.00 O ATOM 904 CB ASP A 60 3.861 10.658 4.011 1.00 0.00 C ATOM 905 CG ASP A 60 3.264 9.560 4.915 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.021 9.452 5.027 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.039 8.790 5.537 1.00 0.00 O ATOM 0 H ASP A 60 5.438 8.875 3.025 1.00 0.00 H new ATOM 0 HA ASP A 60 2.906 10.146 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.863 10.906 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.260 11.563 4.100 1.00 0.00 H new ATOM 912 N CYS A 61 4.229 11.397 0.378 1.00 0.00 N ATOM 913 CA CYS A 61 4.870 12.210 -0.655 1.00 0.00 C ATOM 914 C CYS A 61 4.957 13.720 -0.365 1.00 0.00 C ATOM 915 O CYS A 61 5.846 14.394 -0.889 1.00 0.00 O ATOM 916 CB CYS A 61 4.115 11.959 -1.963 1.00 0.00 C ATOM 917 SG CYS A 61 4.002 10.214 -2.421 1.00 0.00 S ATOM 0 H CYS A 61 3.414 10.896 0.025 1.00 0.00 H new ATOM 0 HA CYS A 61 5.914 11.899 -0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.108 12.367 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.610 12.504 -2.767 1.00 0.00 H new ATOM 922 N THR A 62 4.087 14.247 0.504 1.00 0.00 N ATOM 923 CA THR A 62 4.187 15.631 1.032 1.00 0.00 C ATOM 924 C THR A 62 5.416 15.850 1.937 1.00 0.00 C ATOM 925 O THR A 62 5.843 16.984 2.151 1.00 0.00 O ATOM 926 CB THR A 62 2.889 16.007 1.763 1.00 0.00 C ATOM 927 OG1 THR A 62 2.764 17.406 1.895 1.00 0.00 O ATOM 928 CG2 THR A 62 2.732 15.374 3.147 1.00 0.00 C ATOM 0 H THR A 62 3.286 13.731 0.868 1.00 0.00 H new ATOM 0 HA THR A 62 4.326 16.291 0.176 1.00 0.00 H new ATOM 0 HB THR A 62 2.098 15.604 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.929 17.617 2.362 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.788 15.694 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.739 14.288 3.053 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.557 15.688 3.786 1.00 0.00 H new ATOM 936 N ALA A 63 5.993 14.756 2.446 1.00 0.00 N ATOM 937 CA ALA A 63 7.177 14.700 3.311 1.00 0.00 C ATOM 938 C ALA A 63 8.343 13.882 2.697 1.00 0.00 C ATOM 939 O ALA A 63 9.453 13.894 3.226 1.00 0.00 O ATOM 940 CB ALA A 63 6.716 14.111 4.650 1.00 0.00 C ATOM 0 H ALA A 63 5.622 13.826 2.252 1.00 0.00 H new ATOM 0 HA ALA A 63 7.585 15.702 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.564 14.048 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.948 14.752 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.307 13.114 4.487 1.00 0.00 H new ATOM 946 N ASN A 64 8.096 13.175 1.579 1.00 0.00 N ATOM 947 CA ASN A 64 8.995 12.197 0.950 1.00 0.00 C ATOM 948 C ASN A 64 8.947 12.244 -0.587 1.00 0.00 C ATOM 949 O ASN A 64 8.849 11.248 -1.304 1.00 0.00 O ATOM 950 CB ASN A 64 8.652 10.797 1.431 1.00 0.00 C ATOM 951 CG ASN A 64 8.793 10.587 2.927 1.00 0.00 C ATOM 952 OD1 ASN A 64 9.865 10.278 3.433 1.00 0.00 O ATOM 953 ND2 ASN A 64 7.717 10.734 3.665 1.00 0.00 N ATOM 0 H ASN A 64 7.220 13.277 1.066 1.00 0.00 H new ATOM 0 HA ASN A 64 10.010 12.460 1.247 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.626 10.569 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.295 10.083 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.767 10.591 4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.831 10.992 3.230 1.00 0.00 H new ATOM 960 N THR A 65 8.976 13.462 -1.084 1.00 0.00 N ATOM 961 CA THR A 65 8.825 13.809 -2.516 1.00 0.00 C ATOM 962 C THR A 65 9.934 13.182 -3.364 1.00 0.00 C ATOM 963 O THR A 65 9.685 12.714 -4.471 1.00 0.00 O ATOM 964 CB THR A 65 8.780 15.334 -2.725 1.00 0.00 C ATOM 965 OG1 THR A 65 7.960 15.958 -1.756 1.00 0.00 O ATOM 966 CG2 THR A 65 8.223 15.707 -4.099 1.00 0.00 C ATOM 0 H THR A 65 9.110 14.283 -0.494 1.00 0.00 H new ATOM 0 HA THR A 65 7.872 13.395 -2.847 1.00 0.00 H new ATOM 0 HB THR A 65 9.811 15.678 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.236 15.349 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.209 16.792 -4.204 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.853 15.275 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.209 15.320 -4.198 1.00 0.00 H new ATOM 974 N ASN A 66 11.151 13.090 -2.817 1.00 0.00 N ATOM 975 CA ASN A 66 12.293 12.404 -3.428 1.00 0.00 C ATOM 976 C ASN A 66 12.042 10.893 -3.608 1.00 0.00 C ATOM 977 O ASN A 66 12.378 10.323 -4.647 1.00 0.00 O ATOM 978 CB ASN A 66 13.542 12.660 -2.563 1.00 0.00 C ATOM 979 CG ASN A 66 13.975 14.122 -2.575 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.017 14.783 -3.605 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.310 14.675 -1.430 1.00 0.00 N ATOM 0 H ASN A 66 11.374 13.503 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 66 12.446 12.806 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.338 12.354 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.362 12.039 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.604 15.651 -1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.276 14.128 -0.570 1.00 0.00 H new ATOM 988 N THR A 67 11.388 10.254 -2.630 1.00 0.00 N ATOM 989 CA THR A 67 10.975 8.839 -2.701 1.00 0.00 C ATOM 990 C THR A 67 9.844 8.616 -3.713 1.00 0.00 C ATOM 991 O THR A 67 9.840 7.617 -4.429 1.00 0.00 O ATOM 992 CB THR A 67 10.533 8.337 -1.313 1.00 0.00 C ATOM 993 OG1 THR A 67 11.540 8.611 -0.359 1.00 0.00 O ATOM 994 CG2 THR A 67 10.285 6.829 -1.284 1.00 0.00 C ATOM 0 H THR A 67 11.126 10.707 -1.755 1.00 0.00 H new ATOM 0 HA THR A 67 11.842 8.271 -3.038 1.00 0.00 H new ATOM 0 HB THR A 67 9.603 8.856 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.225 8.354 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.976 6.530 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.500 6.576 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.202 6.304 -1.553 1.00 0.00 H new ATOM 1002 N CYS A 68 8.884 9.548 -3.800 1.00 0.00 N ATOM 1003 CA CYS A 68 7.664 9.385 -4.599 1.00 0.00 C ATOM 1004 C CYS A 68 7.834 9.727 -6.086 1.00 0.00 C ATOM 1005 O CYS A 68 7.361 8.992 -6.957 1.00 0.00 O ATOM 1006 CB CYS A 68 6.582 10.261 -3.960 1.00 0.00 C ATOM 1007 SG CYS A 68 5.935 9.580 -2.412 1.00 0.00 S ATOM 0 H CYS A 68 8.934 10.443 -3.313 1.00 0.00 H new ATOM 0 HA CYS A 68 7.389 8.330 -4.591 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.992 11.253 -3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 68 5.761 10.386 -4.666 1.00 0.00 H new ATOM 1012 N ASN A 69 8.513 10.833 -6.414 1.00 0.00 N ATOM 1013 CA ASN A 69 8.628 11.288 -7.815 1.00 0.00 C ATOM 1014 C ASN A 69 9.511 10.368 -8.671 1.00 0.00 C ATOM 1015 O ASN A 69 9.238 10.146 -9.851 1.00 0.00 O ATOM 1016 CB ASN A 69 9.092 12.750 -7.854 1.00 0.00 C ATOM 1017 CG ASN A 69 10.590 12.952 -7.951 1.00 0.00 C ATOM 1018 OD1 ASN A 69 11.170 13.023 -9.026 1.00 0.00 O ATOM 1019 ND2 ASN A 69 11.270 13.034 -6.833 1.00 0.00 N ATOM 0 H ASN A 69 8.990 11.429 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 69 7.638 11.231 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.620 13.241 -8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.732 13.252 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.282 13.157 -6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.787 12.975 -5.937 1.00 0.00 H new ATOM 1026 N LYS A 70 10.524 9.783 -8.021 1.00 0.00 N ATOM 1027 CA LYS A 70 11.431 8.752 -8.567 1.00 0.00 C ATOM 1028 C LYS A 70 10.702 7.539 -9.175 1.00 0.00 C ATOM 1029 O LYS A 70 11.225 6.916 -10.099 1.00 0.00 O ATOM 1030 CB LYS A 70 12.400 8.346 -7.440 1.00 0.00 C ATOM 1031 CG LYS A 70 13.493 7.364 -7.880 1.00 0.00 C ATOM 1032 CD LYS A 70 14.477 7.110 -6.728 1.00 0.00 C ATOM 1033 CE LYS A 70 15.512 6.028 -7.066 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.472 6.470 -8.115 1.00 0.00 N ATOM 0 H LYS A 70 10.749 10.023 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 70 11.978 9.174 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.872 9.243 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.828 7.897 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.041 6.424 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.027 7.766 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.993 8.038 -6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.921 6.811 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.062 5.760 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.997 5.129 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.151 5.706 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.953 6.701 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.984 7.312 -7.784 1.00 0.00 H new ATOM 1048 N TYR A 71 9.484 7.250 -8.709 1.00 0.00 N ATOM 1049 CA TYR A 71 8.654 6.109 -9.149 1.00 0.00 C ATOM 1050 C TYR A 71 7.398 6.534 -9.935 1.00 0.00 C ATOM 1051 O TYR A 71 6.653 5.688 -10.432 1.00 0.00 O ATOM 1052 CB TYR A 71 8.290 5.232 -7.937 1.00 0.00 C ATOM 1053 CG TYR A 71 9.483 4.486 -7.369 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.387 5.173 -6.544 1.00 0.00 C ATOM 1055 CD2 TYR A 71 9.709 3.136 -7.693 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.524 4.514 -6.029 1.00 0.00 C ATOM 1057 CE2 TYR A 71 10.843 2.473 -7.187 1.00 0.00 C ATOM 1058 CZ TYR A 71 11.754 3.160 -6.356 1.00 0.00 C ATOM 1059 OH TYR A 71 12.861 2.530 -5.874 1.00 0.00 O ATOM 0 H TYR A 71 9.028 7.816 -7.993 1.00 0.00 H new ATOM 0 HA TYR A 71 9.251 5.526 -9.850 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.856 5.859 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.525 4.513 -8.231 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.212 6.211 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.013 2.609 -8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.214 5.043 -5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.016 1.436 -7.435 1.00 0.00 H new ATOM 0 HH TYR A 71 12.873 1.602 -6.189 1.00 0.00 H new ATOM 1069 N GLY A 72 7.179 7.842 -10.081 1.00 0.00 N ATOM 1070 CA GLY A 72 6.152 8.424 -10.958 1.00 0.00 C ATOM 1071 C GLY A 72 4.858 8.807 -10.239 1.00 0.00 C ATOM 1072 O GLY A 72 3.826 8.975 -10.894 1.00 0.00 O ATOM 0 H GLY A 72 7.722 8.546 -9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.562 9.311 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.918 7.711 -11.748 1.00 0.00 H new ATOM 1076 N VAL A 73 4.886 8.938 -8.908 1.00 0.00 N ATOM 1077 CA VAL A 73 3.748 9.357 -8.063 1.00 0.00 C ATOM 1078 C VAL A 73 3.521 10.883 -8.164 1.00 0.00 C ATOM 1079 O VAL A 73 3.609 11.634 -7.191 1.00 0.00 O ATOM 1080 CB VAL A 73 3.928 8.870 -6.608 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.658 9.064 -5.762 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.319 7.383 -6.542 1.00 0.00 C ATOM 0 H VAL A 73 5.729 8.750 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 73 2.841 8.881 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 73 4.732 9.483 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.838 8.706 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.399 10.122 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.836 8.502 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.435 7.083 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.539 6.781 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.260 7.230 -7.071 1.00 0.00 H new ATOM 1092 N SER A 74 3.271 11.351 -9.388 1.00 0.00 N ATOM 1093 CA SER A 74 2.902 12.742 -9.712 1.00 0.00 C ATOM 1094 C SER A 74 1.392 13.030 -9.543 1.00 0.00 C ATOM 1095 O SER A 74 0.946 14.156 -9.783 1.00 0.00 O ATOM 1096 CB SER A 74 3.315 13.072 -11.153 1.00 0.00 C ATOM 1097 OG SER A 74 4.718 12.881 -11.332 1.00 0.00 O ATOM 0 H SER A 74 3.320 10.756 -10.215 1.00 0.00 H new ATOM 0 HA SER A 74 3.435 13.373 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.765 12.438 -11.848 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.051 14.104 -11.385 1.00 0.00 H new ATOM 0 HG SER A 74 4.962 13.095 -12.257 1.00 0.00 H new ATOM 1103 N GLY A 75 0.594 12.030 -9.142 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.875 12.099 -9.075 1.00 0.00 C ATOM 1105 C GLY A 75 -1.469 11.167 -8.012 1.00 0.00 C ATOM 1106 O GLY A 75 -2.340 10.351 -8.318 1.00 0.00 O ATOM 0 H GLY A 75 0.962 11.125 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.176 13.124 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.290 11.842 -10.049 1.00 0.00 H new ATOM 1110 N TYR A 76 -0.951 11.253 -6.779 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.420 10.499 -5.603 1.00 0.00 C ATOM 1112 C TYR A 76 -2.947 10.612 -5.338 1.00 0.00 C ATOM 1113 O TYR A 76 -3.553 11.639 -5.663 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.616 10.908 -4.349 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.008 12.299 -4.334 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.832 13.439 -4.363 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.394 12.451 -4.320 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.258 14.723 -4.390 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.975 13.733 -4.351 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.144 14.874 -4.400 1.00 0.00 C ATOM 1121 OH TYR A 76 1.694 16.115 -4.448 1.00 0.00 O ATOM 0 H TYR A 76 -0.168 11.869 -6.563 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.242 9.448 -5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.272 10.818 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.190 10.186 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.906 13.328 -4.365 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.027 11.577 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.893 15.596 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.049 13.843 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 76 2.671 16.040 -4.447 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.578 9.602 -4.690 1.00 0.00 N ATOM 1132 CA PRO A 77 -2.988 8.337 -4.233 1.00 0.00 C ATOM 1133 C PRO A 77 -2.607 7.401 -5.388 1.00 0.00 C ATOM 1134 O PRO A 77 -3.285 7.336 -6.417 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.058 7.676 -3.354 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.367 8.236 -3.900 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.992 9.649 -4.334 1.00 0.00 C ATOM 0 HA PRO A 77 -2.059 8.533 -3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.024 6.589 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.923 7.926 -2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.740 7.644 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.149 8.243 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.597 9.969 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.168 10.363 -3.529 1.00 0.00 H new ATOM 1145 N THR A 78 -1.525 6.646 -5.184 1.00 0.00 N ATOM 1146 CA THR A 78 -0.983 5.677 -6.151 1.00 0.00 C ATOM 1147 C THR A 78 -0.484 4.449 -5.400 1.00 0.00 C ATOM 1148 O THR A 78 0.435 4.552 -4.590 1.00 0.00 O ATOM 1149 CB THR A 78 0.177 6.292 -6.950 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.174 7.530 -7.537 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.672 5.402 -8.092 1.00 0.00 C ATOM 0 H THR A 78 -0.984 6.690 -4.320 1.00 0.00 H new ATOM 0 HA THR A 78 -1.773 5.398 -6.848 1.00 0.00 H new ATOM 0 HB THR A 78 0.964 6.415 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.592 7.886 -8.033 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.491 5.899 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.022 4.452 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.144 5.219 -8.791 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.083 3.279 -5.639 1.00 0.00 N ATOM 1160 CA LEU A 79 -0.645 2.028 -5.013 1.00 0.00 C ATOM 1161 C LEU A 79 0.271 1.237 -5.959 1.00 0.00 C ATOM 1162 O LEU A 79 0.109 1.270 -7.182 1.00 0.00 O ATOM 1163 CB LEU A 79 -1.846 1.174 -4.571 1.00 0.00 C ATOM 1164 CG LEU A 79 -2.621 1.699 -3.344 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -3.652 2.772 -3.703 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.366 0.542 -2.669 1.00 0.00 C ATOM 0 H LEU A 79 -1.879 3.172 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.074 2.284 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.539 1.092 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.492 0.167 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.880 2.143 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.164 3.101 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.148 3.621 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.379 2.359 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.912 0.917 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.067 0.099 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.649 -0.214 -2.347 1.00 0.00 H new ATOM 1178 N LYS A 80 1.227 0.495 -5.389 1.00 0.00 N ATOM 1179 CA LYS A 80 2.200 -0.316 -6.136 1.00 0.00 C ATOM 1180 C LYS A 80 2.394 -1.697 -5.514 1.00 0.00 C ATOM 1181 O LYS A 80 2.312 -1.862 -4.293 1.00 0.00 O ATOM 1182 CB LYS A 80 3.543 0.425 -6.272 1.00 0.00 C ATOM 1183 CG LYS A 80 3.444 1.689 -7.151 1.00 0.00 C ATOM 1184 CD LYS A 80 4.789 2.410 -7.352 1.00 0.00 C ATOM 1185 CE LYS A 80 5.880 1.568 -8.031 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.521 1.166 -9.417 1.00 0.00 N ATOM 0 H LYS A 80 1.350 0.439 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 80 1.792 -0.471 -7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.900 0.705 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.284 -0.251 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.041 1.413 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.735 2.382 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.618 3.306 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.157 2.739 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.810 2.136 -8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.066 0.674 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.235 0.505 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.590 0.703 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.486 2.009 -10.025 1.00 0.00 H new ATOM 1200 N ILE A 81 2.648 -2.680 -6.385 1.00 0.00 N ATOM 1201 CA ILE A 81 2.767 -4.110 -6.060 1.00 0.00 C ATOM 1202 C ILE A 81 4.208 -4.578 -6.297 1.00 0.00 C ATOM 1203 O ILE A 81 4.817 -4.291 -7.335 1.00 0.00 O ATOM 1204 CB ILE A 81 1.773 -4.927 -6.908 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.323 -4.577 -6.513 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.986 -6.444 -6.738 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.696 -5.025 -7.565 1.00 0.00 C ATOM 0 H ILE A 81 2.782 -2.495 -7.379 1.00 0.00 H new ATOM 0 HA ILE A 81 2.524 -4.265 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 81 1.951 -4.668 -7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.086 -5.048 -5.559 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.240 -3.500 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.265 -6.984 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.997 -6.707 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.846 -6.716 -5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.700 -4.755 -7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.479 -4.534 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.635 -6.106 -7.693 1.00 0.00 H new ATOM 1219 N PHE A 82 4.716 -5.357 -5.341 1.00 0.00 N ATOM 1220 CA PHE A 82 6.108 -5.816 -5.306 1.00 0.00 C ATOM 1221 C PHE A 82 6.209 -7.307 -4.950 1.00 0.00 C ATOM 1222 O PHE A 82 6.170 -7.685 -3.775 1.00 0.00 O ATOM 1223 CB PHE A 82 6.924 -4.962 -4.331 1.00 0.00 C ATOM 1224 CG PHE A 82 6.868 -3.461 -4.560 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.847 -2.691 -3.971 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.850 -2.829 -5.340 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.815 -1.299 -4.164 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.814 -1.435 -5.539 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.795 -0.666 -4.948 1.00 0.00 C ATOM 0 H PHE A 82 4.162 -5.694 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 82 6.524 -5.698 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.578 -5.169 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.965 -5.280 -4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.088 -3.170 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.638 -3.415 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.032 -0.712 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.569 -0.956 -6.145 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.766 0.403 -5.096 1.00 0.00 H new ATOM 1239 N ARG A 83 6.297 -8.169 -5.965 1.00 0.00 N ATOM 1240 CA ARG A 83 6.444 -9.629 -5.806 1.00 0.00 C ATOM 1241 C ARG A 83 7.801 -9.958 -5.181 1.00 0.00 C ATOM 1242 O ARG A 83 8.837 -9.516 -5.673 1.00 0.00 O ATOM 1243 CB ARG A 83 6.255 -10.317 -7.167 1.00 0.00 C ATOM 1244 CG ARG A 83 6.242 -11.849 -7.047 1.00 0.00 C ATOM 1245 CD ARG A 83 5.989 -12.515 -8.408 1.00 0.00 C ATOM 1246 NE ARG A 83 6.011 -13.987 -8.299 1.00 0.00 N ATOM 1247 CZ ARG A 83 5.023 -14.781 -7.921 1.00 0.00 C ATOM 1248 NH1 ARG A 83 3.836 -14.333 -7.613 1.00 0.00 N ATOM 1249 NH2 ARG A 83 5.210 -16.065 -7.842 1.00 0.00 N ATOM 0 H ARG A 83 6.268 -7.873 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 83 5.676 -10.006 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.320 -9.982 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.057 -10.014 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.195 -12.192 -6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.469 -12.154 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.024 -12.192 -8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.747 -12.190 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 83 6.889 -14.445 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.641 -13.333 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.104 -14.983 -7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.121 -16.463 -8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.446 -16.675 -7.550 1.00 0.00 H new ATOM 1263 N ASP A 84 7.787 -10.727 -4.089 1.00 0.00 N ATOM 1264 CA ASP A 84 8.963 -11.102 -3.285 1.00 0.00 C ATOM 1265 C ASP A 84 9.895 -9.917 -2.908 1.00 0.00 C ATOM 1266 O ASP A 84 11.095 -10.092 -2.691 1.00 0.00 O ATOM 1267 CB ASP A 84 9.679 -12.264 -3.997 1.00 0.00 C ATOM 1268 CG ASP A 84 10.689 -13.000 -3.106 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.307 -13.462 -2.002 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.856 -13.184 -3.530 1.00 0.00 O ATOM 0 H ASP A 84 6.922 -11.124 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 84 8.622 -11.437 -2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.934 -12.976 -4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.196 -11.878 -4.876 1.00 0.00 H new ATOM 1275 N GLY A 85 9.354 -8.690 -2.859 1.00 0.00 N ATOM 1276 CA GLY A 85 10.073 -7.471 -2.475 1.00 0.00 C ATOM 1277 C GLY A 85 10.615 -6.618 -3.634 1.00 0.00 C ATOM 1278 O GLY A 85 11.394 -5.698 -3.376 1.00 0.00 O ATOM 0 H GLY A 85 8.376 -8.516 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.405 -6.852 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.909 -7.752 -1.834 1.00 0.00 H new ATOM 1282 N GLU A 86 10.235 -6.888 -4.889 1.00 0.00 N ATOM 1283 CA GLU A 86 10.646 -6.134 -6.077 1.00 0.00 C ATOM 1284 C GLU A 86 9.448 -5.946 -7.024 1.00 0.00 C ATOM 1285 O GLU A 86 8.513 -6.742 -7.045 1.00 0.00 O ATOM 1286 CB GLU A 86 11.791 -6.898 -6.754 1.00 0.00 C ATOM 1287 CG GLU A 86 12.310 -6.313 -8.070 1.00 0.00 C ATOM 1288 CD GLU A 86 12.938 -4.920 -7.877 1.00 0.00 C ATOM 1289 OE1 GLU A 86 12.185 -3.917 -7.845 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.181 -4.825 -7.763 1.00 0.00 O ATOM 0 H GLU A 86 9.612 -7.664 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 86 10.995 -5.139 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.624 -6.958 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.458 -7.919 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.051 -6.988 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.490 -6.245 -8.784 1.00 0.00 H new ATOM 1297 N GLU A 87 9.471 -4.859 -7.787 1.00 0.00 N ATOM 1298 CA GLU A 87 8.338 -4.375 -8.595 1.00 0.00 C ATOM 1299 C GLU A 87 7.739 -5.460 -9.513 1.00 0.00 C ATOM 1300 O GLU A 87 8.463 -6.116 -10.271 1.00 0.00 O ATOM 1301 CB GLU A 87 8.774 -3.142 -9.408 1.00 0.00 C ATOM 1302 CG GLU A 87 7.616 -2.524 -10.208 1.00 0.00 C ATOM 1303 CD GLU A 87 8.070 -1.264 -10.969 1.00 0.00 C ATOM 1304 OE1 GLU A 87 8.775 -1.394 -12.003 1.00 0.00 O ATOM 1305 OE2 GLU A 87 7.697 -0.142 -10.551 1.00 0.00 O ATOM 0 H GLU A 87 10.298 -4.268 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 87 7.541 -4.097 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.185 -2.392 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.573 -3.426 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.227 -3.257 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.800 -2.269 -9.532 1.00 0.00 H new ATOM 1312 N ALA A 88 6.408 -5.598 -9.481 1.00 0.00 N ATOM 1313 CA ALA A 88 5.648 -6.483 -10.374 1.00 0.00 C ATOM 1314 C ALA A 88 4.560 -5.733 -11.162 1.00 0.00 C ATOM 1315 O ALA A 88 4.080 -6.240 -12.178 1.00 0.00 O ATOM 1316 CB ALA A 88 5.085 -7.645 -9.549 1.00 0.00 C ATOM 0 H ALA A 88 5.818 -5.089 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 88 6.318 -6.881 -11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.518 -8.311 -10.199 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.906 -8.197 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.431 -7.254 -8.770 1.00 0.00 H new ATOM 1322 N GLY A 89 4.209 -4.514 -10.734 1.00 0.00 N ATOM 1323 CA GLY A 89 3.358 -3.597 -11.485 1.00 0.00 C ATOM 1324 C GLY A 89 2.898 -2.400 -10.650 1.00 0.00 C ATOM 1325 O GLY A 89 3.700 -1.623 -10.117 1.00 0.00 O ATOM 0 H GLY A 89 4.517 -4.135 -9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.901 -3.238 -12.359 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.485 -4.136 -11.852 1.00 0.00 H new ATOM 1329 N ALA A 90 1.584 -2.257 -10.580 1.00 0.00 N ATOM 1330 CA ALA A 90 0.851 -1.138 -9.985 1.00 0.00 C ATOM 1331 C ALA A 90 -0.618 -1.516 -9.695 1.00 0.00 C ATOM 1332 O ALA A 90 -1.144 -2.489 -10.247 1.00 0.00 O ATOM 1333 CB ALA A 90 0.914 0.055 -10.949 1.00 0.00 C ATOM 0 H ALA A 90 0.955 -2.964 -10.961 1.00 0.00 H new ATOM 0 HA ALA A 90 1.312 -0.877 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.372 0.898 -10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.954 0.337 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.460 -0.222 -11.901 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.284 -0.708 -8.871 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.719 -0.812 -8.582 1.00 0.00 C ATOM 1341 C TYR A 91 -3.412 0.559 -8.633 1.00 0.00 C ATOM 1342 O TYR A 91 -2.935 1.552 -8.079 1.00 0.00 O ATOM 1343 CB TYR A 91 -2.902 -1.499 -7.224 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.346 -1.699 -6.804 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.025 -2.871 -7.190 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.005 -0.734 -6.013 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.350 -3.093 -6.766 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.319 -0.966 -5.559 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.989 -2.154 -5.925 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.246 -2.399 -5.484 1.00 0.00 O ATOM 0 H TYR A 91 -0.831 0.058 -8.372 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.198 -1.417 -9.352 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.409 -2.471 -7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.395 -0.908 -6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.529 -3.601 -7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.501 0.185 -5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.877 -3.980 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.812 -0.237 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.543 -1.658 -4.915 1.00 0.00 H new ATOM 1360 N ASP A 92 -4.567 0.601 -9.303 1.00 0.00 N ATOM 1361 CA ASP A 92 -5.381 1.803 -9.559 1.00 0.00 C ATOM 1362 C ASP A 92 -6.895 1.532 -9.417 1.00 0.00 C ATOM 1363 O ASP A 92 -7.732 2.263 -9.957 1.00 0.00 O ATOM 1364 CB ASP A 92 -5.012 2.395 -10.932 1.00 0.00 C ATOM 1365 CG ASP A 92 -5.602 1.627 -12.133 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -5.550 0.372 -12.159 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -6.077 2.283 -13.092 1.00 0.00 O ATOM 0 H ASP A 92 -4.984 -0.240 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.151 2.544 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.355 3.429 -10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.926 2.415 -11.026 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.257 0.464 -8.702 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.634 0.009 -8.477 1.00 0.00 C ATOM 1374 C GLY A 93 -9.459 0.894 -7.523 1.00 0.00 C ATOM 1375 O GLY A 93 -9.106 2.058 -7.303 1.00 0.00 O ATOM 0 H GLY A 93 -6.570 -0.134 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.147 -0.042 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.606 -1.005 -8.077 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.557 0.356 -6.952 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.514 1.069 -6.086 1.00 0.00 C ATOM 1381 C PRO A 94 -10.987 1.833 -4.849 1.00 0.00 C ATOM 1382 O PRO A 94 -11.804 2.468 -4.180 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.534 0.004 -5.656 1.00 0.00 C ATOM 1384 CG PRO A 94 -12.538 -0.980 -6.820 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.080 -0.976 -7.263 1.00 0.00 C ATOM 0 HA PRO A 94 -11.907 1.893 -6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.240 -0.479 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.521 0.437 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.865 -1.973 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.206 -0.659 -7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.513 -1.747 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.998 -1.186 -8.329 1.00 0.00 H new ATOM 1393 N ARG A 95 -9.681 1.774 -4.523 1.00 0.00 N ATOM 1394 CA ARG A 95 -8.991 2.585 -3.483 1.00 0.00 C ATOM 1395 C ARG A 95 -9.780 2.746 -2.166 1.00 0.00 C ATOM 1396 O ARG A 95 -9.917 3.828 -1.594 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.501 3.900 -4.131 1.00 0.00 C ATOM 1398 CG ARG A 95 -7.171 3.665 -4.867 1.00 0.00 C ATOM 1399 CD ARG A 95 -6.846 4.768 -5.877 1.00 0.00 C ATOM 1400 NE ARG A 95 -7.550 4.548 -7.156 1.00 0.00 N ATOM 1401 CZ ARG A 95 -7.628 5.380 -8.180 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -7.114 6.577 -8.148 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -8.218 5.008 -9.276 1.00 0.00 N ATOM 0 H ARG A 95 -9.043 1.133 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.116 2.039 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.251 4.272 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.371 4.665 -3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.364 3.599 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.212 2.706 -5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.130 5.736 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.771 4.799 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.030 3.654 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.630 6.902 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.196 7.189 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.621 4.074 -9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.278 5.650 -10.066 1.00 0.00 H new ATOM 1417 N THR A 96 -10.302 1.610 -1.709 1.00 0.00 N ATOM 1418 CA THR A 96 -11.134 1.403 -0.509 1.00 0.00 C ATOM 1419 C THR A 96 -10.823 0.031 0.081 1.00 0.00 C ATOM 1420 O THR A 96 -10.399 -0.864 -0.656 1.00 0.00 O ATOM 1421 CB THR A 96 -12.638 1.443 -0.848 1.00 0.00 C ATOM 1422 OG1 THR A 96 -12.920 0.791 -2.069 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.144 2.870 -0.997 1.00 0.00 C ATOM 0 H THR A 96 -10.145 0.733 -2.205 1.00 0.00 H new ATOM 0 HA THR A 96 -10.908 2.203 0.196 1.00 0.00 H new ATOM 0 HB THR A 96 -13.133 0.939 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.564 1.321 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.207 2.856 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.989 3.410 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.599 3.368 -1.799 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.036 -0.156 1.386 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.687 -1.381 2.115 1.00 0.00 C ATOM 1433 C ALA A 97 -11.174 -2.669 1.423 1.00 0.00 C ATOM 1434 O ALA A 97 -10.402 -3.602 1.198 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.271 -1.279 3.532 1.00 0.00 C ATOM 0 H ALA A 97 -11.465 0.554 1.979 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.600 -1.457 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.024 -2.180 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.850 -0.410 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.354 -1.175 3.472 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.450 -2.684 1.036 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.102 -3.808 0.358 1.00 0.00 C ATOM 1443 C ASP A 98 -12.589 -4.013 -1.073 1.00 0.00 C ATOM 1444 O ASP A 98 -12.574 -5.148 -1.547 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.625 -3.629 0.379 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.192 -4.016 1.752 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.180 -3.189 2.691 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.579 -5.193 1.938 1.00 0.00 O ATOM 0 H ASP A 98 -13.077 -1.894 1.189 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.844 -4.713 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.879 -2.593 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.080 -4.245 -0.396 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.104 -2.962 -1.739 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.389 -3.082 -3.014 1.00 0.00 C ATOM 1455 C GLY A 99 -10.090 -3.884 -2.861 1.00 0.00 C ATOM 1456 O GLY A 99 -9.832 -4.796 -3.648 1.00 0.00 O ATOM 0 H GLY A 99 -12.196 -2.001 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.032 -3.567 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.160 -2.088 -3.398 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.302 -3.602 -1.813 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.052 -4.336 -1.520 1.00 0.00 C ATOM 1462 C ILE A 100 -8.339 -5.805 -1.172 1.00 0.00 C ATOM 1463 O ILE A 100 -7.693 -6.715 -1.694 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.243 -3.678 -0.372 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.190 -2.134 -0.380 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.824 -4.265 -0.360 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.691 -1.490 -1.678 1.00 0.00 C ATOM 0 H ILE A 100 -9.509 -2.861 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.449 -4.294 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.785 -3.917 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.190 -1.754 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.546 -1.807 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.248 -3.808 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.877 -5.342 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.338 -4.062 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.695 -0.405 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.677 -1.830 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.346 -1.776 -2.501 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.339 -6.042 -0.317 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.800 -7.384 0.079 1.00 0.00 C ATOM 1481 C VAL A 101 -10.291 -8.187 -1.128 1.00 0.00 C ATOM 1482 O VAL A 101 -9.930 -9.352 -1.286 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.897 -7.265 1.154 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.523 -8.604 1.563 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.355 -6.617 2.438 1.00 0.00 C ATOM 0 H VAL A 101 -9.865 -5.292 0.131 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.955 -7.928 0.501 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.662 -6.649 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.285 -8.432 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.979 -9.074 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.750 -9.259 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -11.154 -6.548 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.543 -7.225 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.982 -5.618 2.212 1.00 0.00 H new ATOM 1495 N SER A 102 -11.056 -7.548 -2.018 1.00 0.00 N ATOM 1496 CA SER A 102 -11.502 -8.127 -3.297 1.00 0.00 C ATOM 1497 C SER A 102 -10.323 -8.492 -4.217 1.00 0.00 C ATOM 1498 O SER A 102 -10.262 -9.612 -4.729 1.00 0.00 O ATOM 1499 CB SER A 102 -12.472 -7.172 -4.001 1.00 0.00 C ATOM 1500 OG SER A 102 -13.040 -7.795 -5.142 1.00 0.00 O ATOM 0 H SER A 102 -11.391 -6.596 -1.871 1.00 0.00 H new ATOM 0 HA SER A 102 -12.023 -9.058 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.261 -6.872 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.947 -6.264 -4.298 1.00 0.00 H new ATOM 0 HG SER A 102 -13.658 -7.174 -5.580 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.343 -7.596 -4.380 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.116 -7.854 -5.145 1.00 0.00 C ATOM 1508 C HIS A 103 -7.331 -9.068 -4.613 1.00 0.00 C ATOM 1509 O HIS A 103 -6.807 -9.863 -5.396 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.269 -6.568 -5.155 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.833 -6.752 -5.577 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.337 -6.679 -6.856 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.769 -6.971 -4.739 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.000 -6.835 -6.800 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.606 -7.034 -5.526 1.00 0.00 N ATOM 0 H HIS A 103 -9.380 -6.659 -3.979 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.383 -8.119 -6.168 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.739 -5.847 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.285 -6.133 -4.156 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.817 -7.076 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.339 -6.805 -7.653 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.654 -7.198 -5.199 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.271 -9.236 -3.288 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.616 -10.366 -2.633 1.00 0.00 C ATOM 1525 C LEU A 104 -7.418 -11.675 -2.760 1.00 0.00 C ATOM 1526 O LEU A 104 -6.867 -12.694 -3.188 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.325 -9.938 -1.182 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.629 -10.941 -0.252 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.631 -11.927 0.350 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.474 -11.693 -0.913 1.00 0.00 C ATOM 0 H LEU A 104 -7.686 -8.576 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.676 -10.609 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.712 -9.038 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.273 -9.660 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.191 -10.342 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.107 -12.624 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.378 -11.381 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.123 -12.480 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.031 -12.383 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.847 -12.252 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.719 -10.981 -1.245 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.719 -11.689 -2.440 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.528 -12.927 -2.457 1.00 0.00 C ATOM 1544 C LYS A 105 -9.670 -13.552 -3.854 1.00 0.00 C ATOM 1545 O LYS A 105 -9.874 -14.759 -3.966 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.878 -12.688 -1.744 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.956 -12.055 -2.632 1.00 0.00 C ATOM 1548 CD LYS A 105 -13.180 -11.653 -1.791 1.00 0.00 C ATOM 1549 CE LYS A 105 -14.302 -11.033 -2.641 1.00 0.00 C ATOM 1550 NZ LYS A 105 -15.013 -12.042 -3.471 1.00 0.00 N ATOM 0 H LYS A 105 -9.240 -10.857 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.985 -13.685 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.249 -13.640 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.711 -12.044 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.551 -11.178 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.256 -12.759 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.565 -12.531 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.873 -10.940 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.018 -10.537 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.880 -10.266 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.759 -11.573 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.338 -12.498 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.441 -12.761 -2.853 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.501 -12.752 -4.915 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.492 -13.194 -6.326 1.00 0.00 C ATOM 1566 C LYS A 106 -8.240 -13.985 -6.745 1.00 0.00 C ATOM 1567 O LYS A 106 -8.264 -14.628 -7.798 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.699 -11.974 -7.244 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.160 -11.488 -7.214 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.312 -10.200 -8.032 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.771 -9.737 -8.013 1.00 0.00 C ATOM 1572 NZ LYS A 106 -12.972 -8.514 -8.839 1.00 0.00 N ATOM 0 H LYS A 106 -9.362 -11.746 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.316 -13.900 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.039 -11.165 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.422 -12.234 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.815 -12.261 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.470 -11.311 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.669 -9.421 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.990 -10.371 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.411 -10.537 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.076 -9.536 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.972 -8.230 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.380 -7.744 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.705 -8.713 -9.824 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.173 -13.990 -5.933 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.903 -14.685 -6.218 1.00 0.00 C ATOM 1588 C GLN A 107 -5.472 -15.657 -5.107 1.00 0.00 C ATOM 1589 O GLN A 107 -4.972 -16.747 -5.397 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.816 -13.632 -6.496 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.558 -12.605 -5.384 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.554 -11.530 -5.791 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.365 -11.773 -5.966 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.993 -10.299 -5.943 1.00 0.00 N ATOM 0 H GLN A 107 -7.166 -13.500 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.054 -15.311 -7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.881 -14.153 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.088 -13.092 -7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.500 -12.130 -5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.191 -13.121 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.981 -10.088 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.346 -9.555 -6.205 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.721 -15.309 -3.840 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.507 -16.192 -2.685 1.00 0.00 C ATOM 1605 C ALA A 108 -6.690 -17.165 -2.425 1.00 0.00 C ATOM 1606 O ALA A 108 -6.563 -18.086 -1.615 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.198 -15.322 -1.462 1.00 0.00 C ATOM 0 H ALA A 108 -6.083 -14.391 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.660 -16.843 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.036 -15.960 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.301 -14.733 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.037 -14.654 -1.270 1.00 0.00 H new