USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1077 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 34 THR OG1 : rot -100:sc= 0.452 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -177:sc= 0.489 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 166:sc= 0.133 USER MOD Single : A 9 SER OG : rot 100:sc= 0.714 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -0.914 (180deg=-1.79!) USER MOD Single : A 25 SER OG : rot -170:sc= -0.931 USER MOD Single : A 28 ASN : amide:sc= -0.572 K(o=-0.57,f=-2.4!) USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= -0.748 (180deg=-2.74!) USER MOD Single : A 31 THR OG1 : rot 37:sc= 0.505 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 0.761 (180deg=0.123) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0.614 (180deg=0.599) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.34) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -107:sc= -0.0174 USER MOD Single : A 74 GLN : amide:sc= -0.705 X(o=-0.7,f=-0.83) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -111:sc= 0.709 (180deg=-2.45!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0.241 X(o=0.24,f=-0.036) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.683 K(o=-0.68,f=-4.6!) USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= -0.0258 (180deg=-0.581) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0259) USER MOD Single : A 109 THR OG1 : rot 113:sc= 1.08 USER MOD Single : A 111 ASN : amide:sc= -2.07 K(o=-2.1,f=0.035) USER MOD Single : A 116 LYS NZ :NH3+ -169:sc= -0.0122 (180deg=-0.154) USER MOD Single : A 117 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00485) USER MOD Single : A 120 LYS NZ :NH3+ -141:sc= 0.0705 (180deg=-0.284) USER MOD Single : A 125 LYS NZ :NH3+ 151:sc= 0.44 (180deg=0.129) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -1.581 -12.981 -0.790 1.00 12.15 N ATOM 21 CA GLY A 2 -0.280 -12.587 -1.360 1.00 13.41 C ATOM 22 C GLY A 2 -0.264 -11.174 -1.936 1.00 44.33 C ATOM 23 O GLY A 2 0.638 -10.815 -2.698 1.00 11.44 O ATOM 0 HA2 GLY A 2 0.484 -12.663 -0.586 1.00 13.41 H new ATOM 0 HA3 GLY A 2 -0.009 -13.293 -2.145 1.00 13.41 H new ATOM 27 N THR A 3 -1.278 -10.377 -1.564 1.00 13.22 N ATOM 28 CA THR A 3 -1.488 -9.022 -2.071 1.00 62.43 C ATOM 29 C THR A 3 -1.014 -8.004 -1.031 1.00 3.03 C ATOM 30 O THR A 3 -1.616 -7.865 0.038 1.00 65.11 O ATOM 31 CB THR A 3 -3.002 -8.813 -2.427 1.00 21.52 C ATOM 32 OG1 THR A 3 -3.829 -9.332 -1.366 1.00 34.31 O ATOM 33 CG2 THR A 3 -3.376 -9.510 -3.746 1.00 65.55 C ATOM 0 H THR A 3 -1.986 -10.667 -0.889 1.00 13.22 H new ATOM 0 HA THR A 3 -0.906 -8.876 -2.981 1.00 62.43 H new ATOM 0 HB THR A 3 -3.169 -7.743 -2.546 1.00 21.52 H new ATOM 0 HG1 THR A 3 -4.747 -9.007 -1.478 1.00 34.31 H new ATOM 0 HG21 THR A 3 -4.432 -9.343 -3.959 1.00 65.55 H new ATOM 0 HG22 THR A 3 -2.773 -9.102 -4.557 1.00 65.55 H new ATOM 0 HG23 THR A 3 -3.189 -10.580 -3.658 1.00 65.55 H new ATOM 41 N VAL A 4 0.075 -7.301 -1.359 1.00 13.22 N ATOM 42 CA VAL A 4 0.647 -6.273 -0.492 1.00 2.20 C ATOM 43 C VAL A 4 -0.013 -4.956 -0.901 1.00 54.24 C ATOM 44 O VAL A 4 0.174 -4.502 -2.023 1.00 74.40 O ATOM 45 CB VAL A 4 2.220 -6.190 -0.672 1.00 51.42 C ATOM 46 CG1 VAL A 4 2.848 -5.083 0.217 1.00 10.10 C ATOM 47 CG2 VAL A 4 2.875 -7.570 -0.402 1.00 24.34 C ATOM 0 H VAL A 4 0.583 -7.431 -2.234 1.00 13.22 H new ATOM 0 HA VAL A 4 0.465 -6.500 0.558 1.00 2.20 H new ATOM 0 HB VAL A 4 2.419 -5.914 -1.708 1.00 51.42 H new ATOM 0 HG11 VAL A 4 3.927 -5.061 0.063 1.00 10.10 H new ATOM 0 HG12 VAL A 4 2.423 -4.116 -0.052 1.00 10.10 H new ATOM 0 HG13 VAL A 4 2.636 -5.294 1.265 1.00 10.10 H new ATOM 0 HG21 VAL A 4 3.955 -7.492 -0.531 1.00 24.34 H new ATOM 0 HG22 VAL A 4 2.653 -7.885 0.618 1.00 24.34 H new ATOM 0 HG23 VAL A 4 2.478 -8.304 -1.103 1.00 24.34 H new ATOM 57 N VAL A 5 -0.819 -4.374 0.002 1.00 75.33 N ATOM 58 CA VAL A 5 -1.587 -3.150 -0.287 1.00 52.41 C ATOM 59 C VAL A 5 -0.957 -1.955 0.458 1.00 72.34 C ATOM 60 O VAL A 5 -0.985 -1.875 1.674 1.00 61.01 O ATOM 61 CB VAL A 5 -3.132 -3.335 0.041 1.00 51.03 C ATOM 62 CG1 VAL A 5 -3.796 -4.290 -0.982 1.00 61.01 C ATOM 63 CG2 VAL A 5 -3.387 -3.848 1.480 1.00 23.12 C ATOM 0 H VAL A 5 -0.957 -4.735 0.946 1.00 75.33 H new ATOM 0 HA VAL A 5 -1.536 -2.942 -1.356 1.00 52.41 H new ATOM 0 HB VAL A 5 -3.582 -2.345 -0.033 1.00 51.03 H new ATOM 0 HG11 VAL A 5 -4.853 -4.404 -0.741 1.00 61.01 H new ATOM 0 HG12 VAL A 5 -3.695 -3.876 -1.985 1.00 61.01 H new ATOM 0 HG13 VAL A 5 -3.308 -5.264 -0.941 1.00 61.01 H new ATOM 0 HG21 VAL A 5 -4.459 -3.954 1.644 1.00 23.12 H new ATOM 0 HG22 VAL A 5 -2.902 -4.815 1.613 1.00 23.12 H new ATOM 0 HG23 VAL A 5 -2.979 -3.136 2.198 1.00 23.12 H new ATOM 73 N ILE A 6 -0.370 -1.026 -0.309 1.00 41.05 N ATOM 74 CA ILE A 6 0.390 0.111 0.222 1.00 40.22 C ATOM 75 C ILE A 6 -0.461 1.382 0.078 1.00 25.43 C ATOM 76 O ILE A 6 -0.602 1.910 -1.023 1.00 74.40 O ATOM 77 CB ILE A 6 1.771 0.321 -0.529 1.00 53.44 C ATOM 78 CG1 ILE A 6 2.649 -0.988 -0.594 1.00 35.21 C ATOM 79 CG2 ILE A 6 2.573 1.480 0.112 1.00 75.30 C ATOM 80 CD1 ILE A 6 2.301 -1.952 -1.721 1.00 33.14 C ATOM 0 H ILE A 6 -0.411 -1.044 -1.328 1.00 41.05 H new ATOM 0 HA ILE A 6 0.616 -0.097 1.268 1.00 40.22 H new ATOM 0 HB ILE A 6 1.523 0.581 -1.558 1.00 53.44 H new ATOM 0 HG12 ILE A 6 3.695 -0.699 -0.696 1.00 35.21 H new ATOM 0 HG13 ILE A 6 2.555 -1.516 0.355 1.00 35.21 H new ATOM 0 HG21 ILE A 6 3.517 1.607 -0.419 1.00 75.30 H new ATOM 0 HG22 ILE A 6 1.994 2.402 0.048 1.00 75.30 H new ATOM 0 HG23 ILE A 6 2.773 1.249 1.158 1.00 75.30 H new ATOM 0 HD11 ILE A 6 2.962 -2.817 -1.677 1.00 33.14 H new ATOM 0 HD12 ILE A 6 1.267 -2.279 -1.613 1.00 33.14 H new ATOM 0 HD13 ILE A 6 2.425 -1.450 -2.681 1.00 33.14 H new ATOM 92 N VAL A 7 -1.005 1.870 1.194 1.00 42.22 N ATOM 93 CA VAL A 7 -1.850 3.068 1.209 1.00 5.34 C ATOM 94 C VAL A 7 -0.957 4.296 1.317 1.00 2.30 C ATOM 95 O VAL A 7 -0.270 4.498 2.327 1.00 14.14 O ATOM 96 CB VAL A 7 -2.859 3.060 2.410 1.00 53.02 C ATOM 97 CG1 VAL A 7 -3.823 4.279 2.360 1.00 74.12 C ATOM 98 CG2 VAL A 7 -3.625 1.734 2.440 1.00 1.11 C ATOM 0 H VAL A 7 -0.873 1.447 2.113 1.00 42.22 H new ATOM 0 HA VAL A 7 -2.430 3.085 0.286 1.00 5.34 H new ATOM 0 HB VAL A 7 -2.292 3.151 3.336 1.00 53.02 H new ATOM 0 HG11 VAL A 7 -4.506 4.238 3.208 1.00 74.12 H new ATOM 0 HG12 VAL A 7 -3.245 5.202 2.404 1.00 74.12 H new ATOM 0 HG13 VAL A 7 -4.395 4.253 1.432 1.00 74.12 H new ATOM 0 HG21 VAL A 7 -4.324 1.736 3.277 1.00 1.11 H new ATOM 0 HG22 VAL A 7 -4.176 1.611 1.508 1.00 1.11 H new ATOM 0 HG23 VAL A 7 -2.921 0.910 2.557 1.00 1.11 H new ATOM 108 N VAL A 8 -0.937 5.076 0.235 1.00 50.23 N ATOM 109 CA VAL A 8 -0.159 6.306 0.136 1.00 40.53 C ATOM 110 C VAL A 8 -1.098 7.506 -0.029 1.00 22.42 C ATOM 111 O VAL A 8 -2.169 7.403 -0.645 1.00 53.41 O ATOM 112 CB VAL A 8 0.851 6.269 -1.069 1.00 30.02 C ATOM 113 CG1 VAL A 8 1.801 7.494 -1.024 1.00 71.24 C ATOM 114 CG2 VAL A 8 1.645 4.939 -1.099 1.00 14.52 C ATOM 0 H VAL A 8 -1.470 4.865 -0.609 1.00 50.23 H new ATOM 0 HA VAL A 8 0.417 6.402 1.057 1.00 40.53 H new ATOM 0 HB VAL A 8 0.276 6.323 -1.993 1.00 30.02 H new ATOM 0 HG11 VAL A 8 2.492 7.450 -1.866 1.00 71.24 H new ATOM 0 HG12 VAL A 8 1.215 8.411 -1.083 1.00 71.24 H new ATOM 0 HG13 VAL A 8 2.365 7.483 -0.091 1.00 71.24 H new ATOM 0 HG21 VAL A 8 2.334 4.946 -1.944 1.00 14.52 H new ATOM 0 HG22 VAL A 8 2.208 4.830 -0.172 1.00 14.52 H new ATOM 0 HG23 VAL A 8 0.952 4.104 -1.203 1.00 14.52 H new ATOM 124 N SER A 9 -0.665 8.643 0.520 1.00 23.04 N ATOM 125 CA SER A 9 -1.339 9.929 0.369 1.00 72.10 C ATOM 126 C SER A 9 -0.311 11.058 0.516 1.00 51.00 C ATOM 127 O SER A 9 0.786 10.852 1.052 1.00 54.12 O ATOM 128 CB SER A 9 -2.482 10.061 1.396 1.00 70.24 C ATOM 129 OG SER A 9 -2.006 9.911 2.717 1.00 43.20 O ATOM 0 H SER A 9 0.178 8.694 1.091 1.00 23.04 H new ATOM 0 HA SER A 9 -1.787 9.997 -0.622 1.00 72.10 H new ATOM 0 HB2 SER A 9 -2.960 11.035 1.288 1.00 70.24 H new ATOM 0 HB3 SER A 9 -3.244 9.308 1.194 1.00 70.24 H new ATOM 0 HG SER A 9 -1.895 10.794 3.127 1.00 43.20 H new ATOM 135 N ASN A 10 -0.674 12.243 0.012 1.00 4.11 N ATOM 136 CA ASN A 10 0.174 13.452 0.082 1.00 53.15 C ATOM 137 C ASN A 10 0.179 14.032 1.516 1.00 12.20 C ATOM 138 O ASN A 10 1.135 14.698 1.925 1.00 74.44 O ATOM 139 CB ASN A 10 -0.338 14.500 -0.948 1.00 32.22 C ATOM 140 CG ASN A 10 0.500 15.785 -1.009 1.00 62.21 C ATOM 141 OD1 ASN A 10 1.465 15.880 -1.770 1.00 24.50 O ATOM 142 ND2 ASN A 10 0.136 16.779 -0.213 1.00 31.31 N ATOM 0 H ASN A 10 -1.566 12.397 -0.459 1.00 4.11 H new ATOM 0 HA ASN A 10 1.202 13.188 -0.167 1.00 53.15 H new ATOM 0 HB2 ASN A 10 -0.354 14.043 -1.937 1.00 32.22 H new ATOM 0 HB3 ASN A 10 -1.367 14.762 -0.702 1.00 32.22 H new ATOM 0 HD21 ASN A 10 0.659 17.655 -0.218 1.00 31.31 H new ATOM 0 HD22 ASN A 10 -0.668 16.669 0.405 1.00 31.31 H new ATOM 149 N ASP A 11 -0.888 13.740 2.276 1.00 25.21 N ATOM 150 CA ASP A 11 -1.131 14.313 3.612 1.00 22.15 C ATOM 151 C ASP A 11 -1.001 13.215 4.687 1.00 43.54 C ATOM 152 O ASP A 11 -1.428 12.078 4.472 1.00 72.32 O ATOM 153 CB ASP A 11 -2.543 14.951 3.623 1.00 51.40 C ATOM 154 CG ASP A 11 -2.833 15.820 4.859 1.00 72.34 C ATOM 155 OD1 ASP A 11 -3.305 15.293 5.881 1.00 65.15 O ATOM 156 OD2 ASP A 11 -2.575 17.043 4.812 1.00 41.42 O ATOM 0 H ASP A 11 -1.616 13.091 1.977 1.00 25.21 H new ATOM 0 HA ASP A 11 -0.392 15.082 3.838 1.00 22.15 H new ATOM 0 HB2 ASP A 11 -2.660 15.562 2.728 1.00 51.40 H new ATOM 0 HB3 ASP A 11 -3.288 14.158 3.568 1.00 51.40 H new ATOM 161 N GLU A 12 -0.430 13.581 5.847 1.00 11.13 N ATOM 162 CA GLU A 12 -0.115 12.638 6.946 1.00 35.34 C ATOM 163 C GLU A 12 -1.394 12.201 7.690 1.00 13.04 C ATOM 164 O GLU A 12 -1.536 11.043 8.100 1.00 63.10 O ATOM 165 CB GLU A 12 0.868 13.319 7.937 1.00 45.01 C ATOM 166 CG GLU A 12 1.549 12.371 8.944 1.00 62.25 C ATOM 167 CD GLU A 12 2.555 11.409 8.283 1.00 4.11 C ATOM 168 OE1 GLU A 12 3.636 11.876 7.867 1.00 4.32 O ATOM 169 OE2 GLU A 12 2.277 10.194 8.190 1.00 32.22 O ATOM 0 H GLU A 12 -0.170 14.545 6.055 1.00 11.13 H new ATOM 0 HA GLU A 12 0.345 11.747 6.520 1.00 35.34 H new ATOM 0 HB2 GLU A 12 1.641 13.829 7.363 1.00 45.01 H new ATOM 0 HB3 GLU A 12 0.326 14.084 8.493 1.00 45.01 H new ATOM 0 HG2 GLU A 12 2.065 12.963 9.700 1.00 62.25 H new ATOM 0 HG3 GLU A 12 0.785 11.790 9.461 1.00 62.25 H new ATOM 176 N ARG A 13 -2.324 13.159 7.841 1.00 32.10 N ATOM 177 CA ARG A 13 -3.584 12.973 8.588 1.00 33.21 C ATOM 178 C ARG A 13 -4.538 12.045 7.838 1.00 74.40 C ATOM 179 O ARG A 13 -5.388 11.416 8.452 1.00 5.34 O ATOM 180 CB ARG A 13 -4.256 14.335 8.840 1.00 74.24 C ATOM 181 CG ARG A 13 -3.416 15.298 9.706 1.00 51.31 C ATOM 182 CD ARG A 13 -3.941 16.745 9.662 1.00 32.52 C ATOM 183 NE ARG A 13 -3.783 17.351 8.320 1.00 24.41 N ATOM 184 CZ ARG A 13 -3.366 18.604 8.073 1.00 11.05 C ATOM 185 NH1 ARG A 13 -3.050 19.435 9.069 1.00 4.21 N ATOM 186 NH2 ARG A 13 -3.254 19.020 6.820 1.00 53.14 N ATOM 0 H ARG A 13 -2.223 14.094 7.445 1.00 32.10 H new ATOM 0 HA ARG A 13 -3.345 12.510 9.545 1.00 33.21 H new ATOM 0 HB2 ARG A 13 -4.461 14.810 7.881 1.00 74.24 H new ATOM 0 HB3 ARG A 13 -5.217 14.170 9.326 1.00 74.24 H new ATOM 0 HG2 ARG A 13 -3.416 14.947 10.738 1.00 51.31 H new ATOM 0 HG3 ARG A 13 -2.381 15.280 9.363 1.00 51.31 H new ATOM 0 HD2 ARG A 13 -4.994 16.758 9.944 1.00 32.52 H new ATOM 0 HD3 ARG A 13 -3.407 17.347 10.397 1.00 32.52 H new ATOM 0 HE ARG A 13 -4.010 16.767 7.515 1.00 24.41 H new ATOM 0 HH11 ARG A 13 -3.123 19.122 10.037 1.00 4.21 H new ATOM 0 HH12 ARG A 13 -2.735 20.383 8.862 1.00 4.21 H new ATOM 0 HH21 ARG A 13 -3.484 18.390 6.051 1.00 53.14 H new ATOM 0 HH22 ARG A 13 -2.938 19.970 6.624 1.00 53.14 H new ATOM 200 N ILE A 14 -4.395 12.000 6.500 1.00 22.12 N ATOM 201 CA ILE A 14 -5.168 11.088 5.645 1.00 61.41 C ATOM 202 C ILE A 14 -4.776 9.628 5.929 1.00 22.14 C ATOM 203 O ILE A 14 -5.633 8.756 5.966 1.00 55.20 O ATOM 204 CB ILE A 14 -4.989 11.442 4.121 1.00 15.10 C ATOM 205 CG1 ILE A 14 -5.518 12.887 3.834 1.00 25.14 C ATOM 206 CG2 ILE A 14 -5.670 10.404 3.197 1.00 54.10 C ATOM 207 CD1 ILE A 14 -6.931 13.179 4.334 1.00 74.10 C ATOM 0 H ILE A 14 -3.743 12.593 5.986 1.00 22.12 H new ATOM 0 HA ILE A 14 -6.225 11.211 5.883 1.00 61.41 H new ATOM 0 HB ILE A 14 -3.923 11.409 3.897 1.00 15.10 H new ATOM 0 HG12 ILE A 14 -4.834 13.603 4.290 1.00 25.14 H new ATOM 0 HG13 ILE A 14 -5.489 13.059 2.758 1.00 25.14 H new ATOM 0 HG21 ILE A 14 -5.520 10.690 2.156 1.00 54.10 H new ATOM 0 HG22 ILE A 14 -5.233 9.421 3.370 1.00 54.10 H new ATOM 0 HG23 ILE A 14 -6.738 10.369 3.413 1.00 54.10 H new ATOM 0 HD11 ILE A 14 -7.200 14.205 4.085 1.00 74.10 H new ATOM 0 HD12 ILE A 14 -7.634 12.494 3.860 1.00 74.10 H new ATOM 0 HD13 ILE A 14 -6.969 13.046 5.415 1.00 74.10 H new ATOM 219 N LEU A 15 -3.477 9.386 6.178 1.00 64.52 N ATOM 220 CA LEU A 15 -2.982 8.061 6.594 1.00 71.33 C ATOM 221 C LEU A 15 -3.609 7.634 7.928 1.00 11.31 C ATOM 222 O LEU A 15 -3.937 6.461 8.108 1.00 12.41 O ATOM 223 CB LEU A 15 -1.440 8.065 6.715 1.00 21.33 C ATOM 224 CG LEU A 15 -0.668 8.245 5.379 1.00 74.55 C ATOM 225 CD1 LEU A 15 0.838 8.414 5.641 1.00 50.04 C ATOM 226 CD2 LEU A 15 -0.956 7.064 4.411 1.00 23.01 C ATOM 0 H LEU A 15 -2.747 10.094 6.098 1.00 64.52 H new ATOM 0 HA LEU A 15 -3.273 7.343 5.827 1.00 71.33 H new ATOM 0 HB2 LEU A 15 -1.148 8.865 7.395 1.00 21.33 H new ATOM 0 HB3 LEU A 15 -1.126 7.127 7.173 1.00 21.33 H new ATOM 0 HG LEU A 15 -1.021 9.155 4.895 1.00 74.55 H new ATOM 0 HD11 LEU A 15 1.361 8.539 4.693 1.00 50.04 H new ATOM 0 HD12 LEU A 15 1.003 9.293 6.264 1.00 50.04 H new ATOM 0 HD13 LEU A 15 1.220 7.530 6.152 1.00 50.04 H new ATOM 0 HD21 LEU A 15 -0.405 7.212 3.482 1.00 23.01 H new ATOM 0 HD22 LEU A 15 -0.642 6.129 4.874 1.00 23.01 H new ATOM 0 HD23 LEU A 15 -2.024 7.022 4.196 1.00 23.01 H new ATOM 238 N GLU A 16 -3.775 8.602 8.854 1.00 14.14 N ATOM 239 CA GLU A 16 -4.316 8.347 10.194 1.00 11.25 C ATOM 240 C GLU A 16 -5.834 8.080 10.133 1.00 23.11 C ATOM 241 O GLU A 16 -6.326 7.107 10.714 1.00 32.11 O ATOM 242 CB GLU A 16 -3.984 9.531 11.143 1.00 0.53 C ATOM 243 CG GLU A 16 -4.176 9.199 12.637 1.00 42.54 C ATOM 244 CD GLU A 16 -3.170 8.149 13.153 1.00 30.13 C ATOM 245 OE1 GLU A 16 -3.451 6.936 13.063 1.00 23.31 O ATOM 246 OE2 GLU A 16 -2.074 8.532 13.617 1.00 43.33 O ATOM 0 H GLU A 16 -3.536 9.580 8.688 1.00 14.14 H new ATOM 0 HA GLU A 16 -3.844 7.450 10.596 1.00 11.25 H new ATOM 0 HB2 GLU A 16 -2.952 9.839 10.978 1.00 0.53 H new ATOM 0 HB3 GLU A 16 -4.616 10.381 10.884 1.00 0.53 H new ATOM 0 HG2 GLU A 16 -4.073 10.112 13.223 1.00 42.54 H new ATOM 0 HG3 GLU A 16 -5.190 8.832 12.795 1.00 42.54 H new ATOM 253 N GLU A 17 -6.538 8.943 9.377 1.00 21.23 N ATOM 254 CA GLU A 17 -7.993 8.848 9.132 1.00 5.41 C ATOM 255 C GLU A 17 -8.361 7.480 8.522 1.00 63.21 C ATOM 256 O GLU A 17 -9.269 6.789 8.994 1.00 30.54 O ATOM 257 CB GLU A 17 -8.413 9.998 8.166 1.00 4.24 C ATOM 258 CG GLU A 17 -9.906 10.031 7.767 1.00 3.03 C ATOM 259 CD GLU A 17 -10.855 10.233 8.962 1.00 10.34 C ATOM 260 OE1 GLU A 17 -10.964 11.374 9.458 1.00 41.11 O ATOM 261 OE2 GLU A 17 -11.494 9.259 9.405 1.00 61.31 O ATOM 0 H GLU A 17 -6.106 9.740 8.910 1.00 21.23 H new ATOM 0 HA GLU A 17 -8.524 8.943 10.079 1.00 5.41 H new ATOM 0 HB2 GLU A 17 -8.160 10.950 8.633 1.00 4.24 H new ATOM 0 HB3 GLU A 17 -7.815 9.920 7.258 1.00 4.24 H new ATOM 0 HG2 GLU A 17 -10.064 10.834 7.047 1.00 3.03 H new ATOM 0 HG3 GLU A 17 -10.161 9.098 7.264 1.00 3.03 H new ATOM 268 N LEU A 18 -7.599 7.105 7.485 1.00 15.30 N ATOM 269 CA LEU A 18 -7.800 5.873 6.708 1.00 23.23 C ATOM 270 C LEU A 18 -7.354 4.618 7.499 1.00 24.13 C ATOM 271 O LEU A 18 -7.918 3.537 7.302 1.00 34.24 O ATOM 272 CB LEU A 18 -7.052 6.004 5.342 1.00 13.23 C ATOM 273 CG LEU A 18 -7.834 6.705 4.164 1.00 51.33 C ATOM 274 CD1 LEU A 18 -8.379 8.109 4.534 1.00 1.04 C ATOM 275 CD2 LEU A 18 -6.957 6.765 2.892 1.00 55.40 C ATOM 0 H LEU A 18 -6.810 7.661 7.156 1.00 15.30 H new ATOM 0 HA LEU A 18 -8.864 5.742 6.513 1.00 23.23 H new ATOM 0 HB2 LEU A 18 -6.129 6.557 5.513 1.00 13.23 H new ATOM 0 HB3 LEU A 18 -6.768 5.004 5.013 1.00 13.23 H new ATOM 0 HG LEU A 18 -8.711 6.089 3.964 1.00 51.33 H new ATOM 0 HD11 LEU A 18 -8.905 8.532 3.678 1.00 1.04 H new ATOM 0 HD12 LEU A 18 -9.066 8.022 5.376 1.00 1.04 H new ATOM 0 HD13 LEU A 18 -7.549 8.761 4.808 1.00 1.04 H new ATOM 0 HD21 LEU A 18 -7.512 7.251 2.090 1.00 55.40 H new ATOM 0 HD22 LEU A 18 -6.050 7.332 3.102 1.00 55.40 H new ATOM 0 HD23 LEU A 18 -6.690 5.753 2.586 1.00 55.40 H new ATOM 287 N LEU A 19 -6.354 4.788 8.400 1.00 63.30 N ATOM 288 CA LEU A 19 -5.804 3.685 9.231 1.00 32.30 C ATOM 289 C LEU A 19 -6.882 3.049 10.089 1.00 11.43 C ATOM 290 O LEU A 19 -7.076 1.838 10.068 1.00 20.41 O ATOM 291 CB LEU A 19 -4.698 4.202 10.180 1.00 4.22 C ATOM 292 CG LEU A 19 -4.032 3.131 11.121 1.00 23.03 C ATOM 293 CD1 LEU A 19 -2.928 2.333 10.400 1.00 22.14 C ATOM 294 CD2 LEU A 19 -3.511 3.768 12.419 1.00 72.14 C ATOM 0 H LEU A 19 -5.907 5.689 8.571 1.00 63.30 H new ATOM 0 HA LEU A 19 -5.396 2.950 8.537 1.00 32.30 H new ATOM 0 HB2 LEU A 19 -3.915 4.661 9.576 1.00 4.22 H new ATOM 0 HB3 LEU A 19 -5.122 4.989 10.803 1.00 4.22 H new ATOM 0 HG LEU A 19 -4.811 2.419 11.394 1.00 23.03 H new ATOM 0 HD11 LEU A 19 -2.497 1.606 11.088 1.00 22.14 H new ATOM 0 HD12 LEU A 19 -3.356 1.813 9.543 1.00 22.14 H new ATOM 0 HD13 LEU A 19 -2.150 3.015 10.059 1.00 22.14 H new ATOM 0 HD21 LEU A 19 -3.057 2.999 13.045 1.00 72.14 H new ATOM 0 HD22 LEU A 19 -2.766 4.526 12.179 1.00 72.14 H new ATOM 0 HD23 LEU A 19 -4.340 4.230 12.955 1.00 72.14 H new ATOM 306 N GLU A 20 -7.571 3.920 10.830 1.00 30.35 N ATOM 307 CA GLU A 20 -8.555 3.541 11.846 1.00 23.41 C ATOM 308 C GLU A 20 -9.733 2.778 11.223 1.00 45.34 C ATOM 309 O GLU A 20 -10.322 1.917 11.869 1.00 45.30 O ATOM 310 CB GLU A 20 -9.015 4.813 12.586 1.00 70.34 C ATOM 311 CG GLU A 20 -7.840 5.640 13.160 1.00 22.20 C ATOM 312 CD GLU A 20 -8.287 6.950 13.823 1.00 24.43 C ATOM 313 OE1 GLU A 20 -8.613 7.910 13.087 1.00 40.21 O ATOM 314 OE2 GLU A 20 -8.355 7.017 15.076 1.00 1.24 O ATOM 0 H GLU A 20 -7.458 4.930 10.738 1.00 30.35 H new ATOM 0 HA GLU A 20 -8.099 2.860 12.565 1.00 23.41 H new ATOM 0 HB2 GLU A 20 -9.590 5.437 11.901 1.00 70.34 H new ATOM 0 HB3 GLU A 20 -9.684 4.531 13.399 1.00 70.34 H new ATOM 0 HG2 GLU A 20 -7.302 5.036 13.891 1.00 22.20 H new ATOM 0 HG3 GLU A 20 -7.139 5.868 12.357 1.00 22.20 H new ATOM 321 N VAL A 21 -10.028 3.098 9.951 1.00 41.31 N ATOM 322 CA VAL A 21 -11.075 2.430 9.155 1.00 55.42 C ATOM 323 C VAL A 21 -10.662 0.982 8.813 1.00 74.41 C ATOM 324 O VAL A 21 -11.487 0.061 8.862 1.00 64.31 O ATOM 325 CB VAL A 21 -11.374 3.248 7.849 1.00 3.24 C ATOM 326 CG1 VAL A 21 -12.529 2.628 7.022 1.00 61.33 C ATOM 327 CG2 VAL A 21 -11.665 4.722 8.211 1.00 71.32 C ATOM 0 H VAL A 21 -9.542 3.835 9.441 1.00 41.31 H new ATOM 0 HA VAL A 21 -11.987 2.388 9.751 1.00 55.42 H new ATOM 0 HB VAL A 21 -10.489 3.209 7.214 1.00 3.24 H new ATOM 0 HG11 VAL A 21 -12.699 3.228 6.128 1.00 61.33 H new ATOM 0 HG12 VAL A 21 -12.264 1.612 6.731 1.00 61.33 H new ATOM 0 HG13 VAL A 21 -13.437 2.608 7.624 1.00 61.33 H new ATOM 0 HG21 VAL A 21 -11.872 5.286 7.301 1.00 71.32 H new ATOM 0 HG22 VAL A 21 -12.530 4.770 8.873 1.00 71.32 H new ATOM 0 HG23 VAL A 21 -10.799 5.151 8.715 1.00 71.32 H new ATOM 337 N VAL A 22 -9.367 0.798 8.505 1.00 52.40 N ATOM 338 CA VAL A 22 -8.766 -0.525 8.251 1.00 44.34 C ATOM 339 C VAL A 22 -8.727 -1.346 9.562 1.00 51.31 C ATOM 340 O VAL A 22 -8.993 -2.552 9.565 1.00 10.32 O ATOM 341 CB VAL A 22 -7.314 -0.360 7.641 1.00 21.34 C ATOM 342 CG1 VAL A 22 -6.612 -1.713 7.404 1.00 1.33 C ATOM 343 CG2 VAL A 22 -7.369 0.455 6.331 1.00 0.03 C ATOM 0 H VAL A 22 -8.702 1.567 8.424 1.00 52.40 H new ATOM 0 HA VAL A 22 -9.377 -1.063 7.526 1.00 44.34 H new ATOM 0 HB VAL A 22 -6.720 0.181 8.378 1.00 21.34 H new ATOM 0 HG11 VAL A 22 -5.621 -1.540 6.985 1.00 1.33 H new ATOM 0 HG12 VAL A 22 -6.518 -2.245 8.351 1.00 1.33 H new ATOM 0 HG13 VAL A 22 -7.200 -2.311 6.708 1.00 1.33 H new ATOM 0 HG21 VAL A 22 -6.363 0.559 5.925 1.00 0.03 H new ATOM 0 HG22 VAL A 22 -8.001 -0.061 5.608 1.00 0.03 H new ATOM 0 HG23 VAL A 22 -7.782 1.443 6.534 1.00 0.03 H new ATOM 353 N LEU A 23 -8.455 -0.643 10.680 1.00 12.22 N ATOM 354 CA LEU A 23 -8.360 -1.245 12.026 1.00 30.02 C ATOM 355 C LEU A 23 -9.730 -1.778 12.510 1.00 2.52 C ATOM 356 O LEU A 23 -9.825 -2.906 13.011 1.00 41.12 O ATOM 357 CB LEU A 23 -7.809 -0.210 13.048 1.00 15.33 C ATOM 358 CG LEU A 23 -6.336 0.268 12.840 1.00 74.11 C ATOM 359 CD1 LEU A 23 -5.928 1.294 13.923 1.00 20.42 C ATOM 360 CD2 LEU A 23 -5.356 -0.923 12.801 1.00 70.41 C ATOM 0 H LEU A 23 -8.294 0.364 10.675 1.00 12.22 H new ATOM 0 HA LEU A 23 -7.672 -2.087 11.958 1.00 30.02 H new ATOM 0 HB2 LEU A 23 -8.457 0.666 13.027 1.00 15.33 H new ATOM 0 HB3 LEU A 23 -7.889 -0.642 14.046 1.00 15.33 H new ATOM 0 HG LEU A 23 -6.284 0.765 11.871 1.00 74.11 H new ATOM 0 HD11 LEU A 23 -4.899 1.610 13.755 1.00 20.42 H new ATOM 0 HD12 LEU A 23 -6.587 2.161 13.870 1.00 20.42 H new ATOM 0 HD13 LEU A 23 -6.010 0.835 14.908 1.00 20.42 H new ATOM 0 HD21 LEU A 23 -4.341 -0.554 12.655 1.00 70.41 H new ATOM 0 HD22 LEU A 23 -5.411 -1.471 13.742 1.00 70.41 H new ATOM 0 HD23 LEU A 23 -5.623 -1.587 11.979 1.00 70.41 H new ATOM 372 N LYS A 24 -10.783 -0.946 12.355 1.00 51.11 N ATOM 373 CA LYS A 24 -12.142 -1.264 12.845 1.00 72.12 C ATOM 374 C LYS A 24 -12.804 -2.334 11.963 1.00 34.44 C ATOM 375 O LYS A 24 -13.639 -3.102 12.444 1.00 0.40 O ATOM 376 CB LYS A 24 -13.018 0.032 12.952 1.00 44.04 C ATOM 377 CG LYS A 24 -13.286 0.816 11.629 1.00 2.41 C ATOM 378 CD LYS A 24 -14.516 0.340 10.799 1.00 72.14 C ATOM 379 CE LYS A 24 -15.876 0.824 11.353 1.00 35.33 C ATOM 380 NZ LYS A 24 -16.214 0.284 12.698 1.00 71.24 N ATOM 0 H LYS A 24 -10.716 -0.041 11.890 1.00 51.11 H new ATOM 0 HA LYS A 24 -12.057 -1.678 13.850 1.00 72.12 H new ATOM 0 HB2 LYS A 24 -13.980 -0.244 13.383 1.00 44.04 H new ATOM 0 HB3 LYS A 24 -12.536 0.710 13.656 1.00 44.04 H new ATOM 0 HG2 LYS A 24 -13.422 1.869 11.874 1.00 2.41 H new ATOM 0 HG3 LYS A 24 -12.398 0.746 11.001 1.00 2.41 H new ATOM 0 HD2 LYS A 24 -14.407 0.693 9.773 1.00 72.14 H new ATOM 0 HD3 LYS A 24 -14.517 -0.749 10.763 1.00 72.14 H new ATOM 0 HE2 LYS A 24 -15.869 1.913 11.402 1.00 35.33 H new ATOM 0 HE3 LYS A 24 -16.662 0.542 10.653 1.00 35.33 H new ATOM 0 HZ1 LYS A 24 -17.247 0.268 12.816 1.00 71.24 H new ATOM 0 HZ2 LYS A 24 -15.840 -0.682 12.788 1.00 71.24 H new ATOM 0 HZ3 LYS A 24 -15.791 0.889 13.431 1.00 71.24 H new ATOM 394 N SER A 25 -12.425 -2.352 10.664 1.00 43.45 N ATOM 395 CA SER A 25 -12.892 -3.355 9.695 1.00 14.04 C ATOM 396 C SER A 25 -12.388 -4.745 10.084 1.00 34.52 C ATOM 397 O SER A 25 -13.172 -5.696 10.191 1.00 21.03 O ATOM 398 CB SER A 25 -12.394 -2.997 8.278 1.00 43.51 C ATOM 399 OG SER A 25 -12.810 -3.956 7.311 1.00 64.01 O ATOM 0 H SER A 25 -11.785 -1.667 10.263 1.00 43.45 H new ATOM 0 HA SER A 25 -13.982 -3.360 9.700 1.00 14.04 H new ATOM 0 HB2 SER A 25 -12.771 -2.013 7.999 1.00 43.51 H new ATOM 0 HB3 SER A 25 -11.306 -2.933 8.281 1.00 43.51 H new ATOM 0 HG SER A 25 -12.350 -3.786 6.463 1.00 64.01 H new ATOM 405 N ASP A 26 -11.073 -4.838 10.318 1.00 2.51 N ATOM 406 CA ASP A 26 -10.396 -6.104 10.593 1.00 61.42 C ATOM 407 C ASP A 26 -9.115 -5.829 11.412 1.00 11.12 C ATOM 408 O ASP A 26 -8.274 -5.026 10.987 1.00 42.44 O ATOM 409 CB ASP A 26 -10.078 -6.838 9.261 1.00 32.15 C ATOM 410 CG ASP A 26 -9.489 -8.238 9.478 1.00 13.23 C ATOM 411 OD1 ASP A 26 -8.288 -8.332 9.749 1.00 51.25 O ATOM 412 OD2 ASP A 26 -10.232 -9.240 9.398 1.00 60.15 O ATOM 0 H ASP A 26 -10.449 -4.031 10.321 1.00 2.51 H new ATOM 0 HA ASP A 26 -11.045 -6.754 11.179 1.00 61.42 H new ATOM 0 HB2 ASP A 26 -10.990 -6.921 8.670 1.00 32.15 H new ATOM 0 HB3 ASP A 26 -9.376 -6.240 8.681 1.00 32.15 H new ATOM 417 N PRO A 27 -8.940 -6.504 12.595 1.00 42.44 N ATOM 418 CA PRO A 27 -7.814 -6.244 13.514 1.00 33.22 C ATOM 419 C PRO A 27 -6.619 -7.217 13.367 1.00 31.23 C ATOM 420 O PRO A 27 -5.650 -7.103 14.136 1.00 4.21 O ATOM 421 CB PRO A 27 -8.518 -6.435 14.867 1.00 0.45 C ATOM 422 CG PRO A 27 -9.429 -7.617 14.642 1.00 53.24 C ATOM 423 CD PRO A 27 -9.846 -7.553 13.172 1.00 55.43 C ATOM 0 HA PRO A 27 -7.346 -5.275 13.344 1.00 33.22 H new ATOM 0 HB2 PRO A 27 -7.802 -6.629 15.665 1.00 0.45 H new ATOM 0 HB3 PRO A 27 -9.081 -5.546 15.153 1.00 0.45 H new ATOM 0 HG2 PRO A 27 -8.915 -8.553 14.862 1.00 53.24 H new ATOM 0 HG3 PRO A 27 -10.299 -7.570 15.297 1.00 53.24 H new ATOM 0 HD2 PRO A 27 -9.714 -8.514 12.675 1.00 55.43 H new ATOM 0 HD3 PRO A 27 -10.896 -7.280 13.064 1.00 55.43 H new ATOM 431 N ASN A 28 -6.678 -8.177 12.414 1.00 23.35 N ATOM 432 CA ASN A 28 -5.634 -9.234 12.299 1.00 21.42 C ATOM 433 C ASN A 28 -5.037 -9.331 10.876 1.00 2.34 C ATOM 434 O ASN A 28 -4.221 -10.223 10.601 1.00 21.44 O ATOM 435 CB ASN A 28 -6.161 -10.610 12.834 1.00 45.03 C ATOM 436 CG ASN A 28 -7.151 -11.379 11.939 1.00 5.35 C ATOM 437 OD1 ASN A 28 -7.158 -12.607 11.937 1.00 14.51 O ATOM 438 ND2 ASN A 28 -8.010 -10.697 11.215 1.00 21.20 N ATOM 0 H ASN A 28 -7.424 -8.245 11.721 1.00 23.35 H new ATOM 0 HA ASN A 28 -4.803 -8.939 12.940 1.00 21.42 H new ATOM 0 HB2 ASN A 28 -5.301 -11.254 13.017 1.00 45.03 H new ATOM 0 HB3 ASN A 28 -6.640 -10.437 13.798 1.00 45.03 H new ATOM 0 HD21 ASN A 28 -8.695 -11.187 10.641 1.00 21.20 H new ATOM 0 HD22 ASN A 28 -7.991 -9.677 11.228 1.00 21.20 H new ATOM 445 N VAL A 29 -5.437 -8.402 9.987 1.00 34.13 N ATOM 446 CA VAL A 29 -4.681 -8.086 8.754 1.00 5.21 C ATOM 447 C VAL A 29 -3.535 -7.148 9.157 1.00 15.53 C ATOM 448 O VAL A 29 -3.750 -6.226 9.956 1.00 11.34 O ATOM 449 CB VAL A 29 -5.595 -7.437 7.626 1.00 35.14 C ATOM 450 CG1 VAL A 29 -4.771 -6.740 6.508 1.00 62.42 C ATOM 451 CG2 VAL A 29 -6.532 -8.506 7.005 1.00 23.43 C ATOM 0 H VAL A 29 -6.288 -7.851 10.100 1.00 34.13 H new ATOM 0 HA VAL A 29 -4.295 -9.005 8.314 1.00 5.21 H new ATOM 0 HB VAL A 29 -6.191 -6.666 8.114 1.00 35.14 H new ATOM 0 HG11 VAL A 29 -5.449 -6.316 5.767 1.00 62.42 H new ATOM 0 HG12 VAL A 29 -4.166 -5.945 6.944 1.00 62.42 H new ATOM 0 HG13 VAL A 29 -4.119 -7.470 6.028 1.00 62.42 H new ATOM 0 HG21 VAL A 29 -7.150 -8.045 6.235 1.00 23.43 H new ATOM 0 HG22 VAL A 29 -5.933 -9.301 6.561 1.00 23.43 H new ATOM 0 HG23 VAL A 29 -7.172 -8.924 7.782 1.00 23.43 H new ATOM 461 N LYS A 30 -2.333 -7.389 8.606 1.00 42.13 N ATOM 462 CA LYS A 30 -1.085 -6.748 9.065 1.00 3.11 C ATOM 463 C LYS A 30 -1.074 -5.235 8.734 1.00 32.31 C ATOM 464 O LYS A 30 -0.682 -4.830 7.651 1.00 33.52 O ATOM 465 CB LYS A 30 0.147 -7.471 8.442 1.00 24.41 C ATOM 466 CG LYS A 30 0.179 -9.009 8.636 1.00 55.31 C ATOM 467 CD LYS A 30 0.165 -9.463 10.122 1.00 41.22 C ATOM 468 CE LYS A 30 1.498 -9.214 10.874 1.00 1.33 C ATOM 469 NZ LYS A 30 1.816 -7.771 11.085 1.00 14.52 N ATOM 0 H LYS A 30 -2.197 -8.035 7.828 1.00 42.13 H new ATOM 0 HA LYS A 30 -1.029 -6.840 10.150 1.00 3.11 H new ATOM 0 HB2 LYS A 30 0.173 -7.255 7.374 1.00 24.41 H new ATOM 0 HB3 LYS A 30 1.053 -7.048 8.875 1.00 24.41 H new ATOM 0 HG2 LYS A 30 -0.679 -9.446 8.126 1.00 55.31 H new ATOM 0 HG3 LYS A 30 1.073 -9.406 8.155 1.00 55.31 H new ATOM 0 HD2 LYS A 30 -0.637 -8.939 10.643 1.00 41.22 H new ATOM 0 HD3 LYS A 30 -0.070 -10.527 10.163 1.00 41.22 H new ATOM 0 HE2 LYS A 30 1.455 -9.711 11.843 1.00 1.33 H new ATOM 0 HE3 LYS A 30 2.311 -9.676 10.314 1.00 1.33 H new ATOM 0 HZ1 LYS A 30 2.264 -7.647 12.015 1.00 14.52 H new ATOM 0 HZ2 LYS A 30 2.466 -7.446 10.341 1.00 14.52 H new ATOM 0 HZ3 LYS A 30 0.939 -7.213 11.046 1.00 14.52 H new ATOM 483 N THR A 31 -1.558 -4.415 9.675 1.00 52.43 N ATOM 484 CA THR A 31 -1.610 -2.947 9.526 1.00 51.22 C ATOM 485 C THR A 31 -0.306 -2.333 10.059 1.00 54.30 C ATOM 486 O THR A 31 -0.050 -2.372 11.265 1.00 11.24 O ATOM 487 CB THR A 31 -2.845 -2.366 10.288 1.00 35.11 C ATOM 488 OG1 THR A 31 -2.809 -2.765 11.672 1.00 54.01 O ATOM 489 CG2 THR A 31 -4.165 -2.851 9.672 1.00 53.22 C ATOM 0 H THR A 31 -1.927 -4.748 10.566 1.00 52.43 H new ATOM 0 HA THR A 31 -1.716 -2.695 8.471 1.00 51.22 H new ATOM 0 HB THR A 31 -2.795 -1.280 10.207 1.00 35.11 H new ATOM 0 HG1 THR A 31 -1.881 -2.766 11.988 1.00 54.01 H new ATOM 0 HG21 THR A 31 -5.002 -2.428 10.227 1.00 53.22 H new ATOM 0 HG22 THR A 31 -4.220 -2.531 8.631 1.00 53.22 H new ATOM 0 HG23 THR A 31 -4.211 -3.939 9.720 1.00 53.22 H new ATOM 497 N VAL A 32 0.530 -1.799 9.152 1.00 34.42 N ATOM 498 CA VAL A 32 1.890 -1.321 9.476 1.00 74.41 C ATOM 499 C VAL A 32 2.135 0.056 8.815 1.00 24.40 C ATOM 500 O VAL A 32 2.150 0.153 7.593 1.00 21.20 O ATOM 501 CB VAL A 32 2.981 -2.355 8.959 1.00 31.31 C ATOM 502 CG1 VAL A 32 4.412 -1.892 9.306 1.00 61.54 C ATOM 503 CG2 VAL A 32 2.731 -3.790 9.495 1.00 44.34 C ATOM 0 H VAL A 32 0.283 -1.685 8.169 1.00 34.42 H new ATOM 0 HA VAL A 32 1.974 -1.228 10.559 1.00 74.41 H new ATOM 0 HB VAL A 32 2.884 -2.386 7.874 1.00 31.31 H new ATOM 0 HG11 VAL A 32 5.131 -2.624 8.937 1.00 61.54 H new ATOM 0 HG12 VAL A 32 4.605 -0.926 8.839 1.00 61.54 H new ATOM 0 HG13 VAL A 32 4.512 -1.799 10.387 1.00 61.54 H new ATOM 0 HG21 VAL A 32 3.502 -4.460 9.114 1.00 44.34 H new ATOM 0 HG22 VAL A 32 2.763 -3.782 10.585 1.00 44.34 H new ATOM 0 HG23 VAL A 32 1.753 -4.137 9.163 1.00 44.34 H new ATOM 513 N ARG A 33 2.312 1.125 9.628 1.00 70.13 N ATOM 514 CA ARG A 33 2.740 2.453 9.127 1.00 20.12 C ATOM 515 C ARG A 33 4.221 2.666 9.478 1.00 35.32 C ATOM 516 O ARG A 33 4.545 2.929 10.646 1.00 0.54 O ATOM 517 CB ARG A 33 1.885 3.609 9.730 1.00 13.45 C ATOM 518 CG ARG A 33 2.280 5.023 9.216 1.00 24.32 C ATOM 519 CD ARG A 33 1.482 6.155 9.872 1.00 31.41 C ATOM 520 NE ARG A 33 0.029 6.003 9.670 1.00 63.02 N ATOM 521 CZ ARG A 33 -0.904 6.192 10.616 1.00 14.34 C ATOM 522 NH1 ARG A 33 -0.582 6.545 11.846 1.00 60.11 N ATOM 523 NH2 ARG A 33 -2.167 6.029 10.324 1.00 2.22 N ATOM 0 H ARG A 33 2.164 1.093 10.637 1.00 70.13 H new ATOM 0 HA ARG A 33 2.597 2.471 8.047 1.00 20.12 H new ATOM 0 HB2 ARG A 33 0.835 3.430 9.498 1.00 13.45 H new ATOM 0 HB3 ARG A 33 1.980 3.589 10.816 1.00 13.45 H new ATOM 0 HG2 ARG A 33 3.342 5.184 9.399 1.00 24.32 H new ATOM 0 HG3 ARG A 33 2.133 5.063 8.137 1.00 24.32 H new ATOM 0 HD2 ARG A 33 1.698 6.178 10.940 1.00 31.41 H new ATOM 0 HD3 ARG A 33 1.806 7.111 9.461 1.00 31.41 H new ATOM 0 HE ARG A 33 -0.291 5.734 8.740 1.00 63.02 H new ATOM 0 HH11 ARG A 33 0.397 6.681 12.098 1.00 60.11 H new ATOM 0 HH12 ARG A 33 -1.312 6.682 12.545 1.00 60.11 H new ATOM 0 HH21 ARG A 33 -2.441 5.759 9.379 1.00 2.22 H new ATOM 0 HH22 ARG A 33 -2.879 6.172 11.041 1.00 2.22 H new ATOM 537 N THR A 34 5.104 2.508 8.470 1.00 73.13 N ATOM 538 CA THR A 34 6.557 2.728 8.616 1.00 75.25 C ATOM 539 C THR A 34 7.254 2.584 7.252 1.00 72.30 C ATOM 540 O THR A 34 6.715 1.952 6.328 1.00 21.13 O ATOM 541 CB THR A 34 7.203 1.710 9.636 1.00 72.14 C ATOM 542 OG1 THR A 34 8.542 2.108 9.973 1.00 44.34 O ATOM 543 CG2 THR A 34 7.230 0.263 9.094 1.00 71.11 C ATOM 0 H THR A 34 4.828 2.224 7.530 1.00 73.13 H new ATOM 0 HA THR A 34 6.696 3.738 9.002 1.00 75.25 H new ATOM 0 HB THR A 34 6.573 1.727 10.525 1.00 72.14 H new ATOM 0 HG1 THR A 34 9.182 1.578 9.453 1.00 44.34 H new ATOM 0 HG21 THR A 34 7.684 -0.395 9.835 1.00 71.11 H new ATOM 0 HG22 THR A 34 6.212 -0.068 8.890 1.00 71.11 H new ATOM 0 HG23 THR A 34 7.813 0.230 8.174 1.00 71.11 H new ATOM 551 N ASP A 35 8.460 3.166 7.145 1.00 33.14 N ATOM 552 CA ASP A 35 9.390 2.887 6.037 1.00 65.44 C ATOM 553 C ASP A 35 10.838 3.021 6.518 1.00 23.24 C ATOM 554 O ASP A 35 11.202 4.000 7.180 1.00 10.24 O ATOM 555 CB ASP A 35 9.136 3.794 4.808 1.00 64.32 C ATOM 556 CG ASP A 35 10.152 3.574 3.655 1.00 4.54 C ATOM 557 OD1 ASP A 35 10.277 2.429 3.168 1.00 41.14 O ATOM 558 OD2 ASP A 35 10.852 4.534 3.273 1.00 24.15 O ATOM 0 H ASP A 35 8.817 3.841 7.821 1.00 33.14 H new ATOM 0 HA ASP A 35 9.212 1.862 5.713 1.00 65.44 H new ATOM 0 HB2 ASP A 35 8.129 3.611 4.434 1.00 64.32 H new ATOM 0 HB3 ASP A 35 9.175 4.837 5.122 1.00 64.32 H new ATOM 563 N ASP A 36 11.633 2.000 6.177 1.00 3.34 N ATOM 564 CA ASP A 36 13.090 1.952 6.400 1.00 14.31 C ATOM 565 C ASP A 36 13.718 1.114 5.255 1.00 54.42 C ATOM 566 O ASP A 36 14.810 0.555 5.388 1.00 51.45 O ATOM 567 CB ASP A 36 13.396 1.369 7.816 1.00 14.44 C ATOM 568 CG ASP A 36 14.848 1.593 8.295 1.00 73.01 C ATOM 569 OD1 ASP A 36 15.175 2.722 8.713 1.00 14.52 O ATOM 570 OD2 ASP A 36 15.665 0.652 8.257 1.00 51.22 O ATOM 0 H ASP A 36 11.274 1.159 5.725 1.00 3.34 H new ATOM 0 HA ASP A 36 13.529 2.950 6.380 1.00 14.31 H new ATOM 0 HB2 ASP A 36 12.714 1.820 8.537 1.00 14.44 H new ATOM 0 HB3 ASP A 36 13.189 0.299 7.808 1.00 14.44 H new ATOM 575 N LYS A 37 12.989 1.081 4.107 1.00 11.35 N ATOM 576 CA LYS A 37 13.356 0.363 2.867 1.00 73.50 C ATOM 577 C LYS A 37 13.372 -1.173 3.086 1.00 41.44 C ATOM 578 O LYS A 37 12.405 -1.877 2.754 1.00 44.23 O ATOM 579 CB LYS A 37 14.717 0.885 2.275 1.00 72.13 C ATOM 580 CG LYS A 37 14.818 2.424 2.131 1.00 13.11 C ATOM 581 CD LYS A 37 16.098 2.889 1.398 1.00 40.30 C ATOM 582 CE LYS A 37 16.159 2.467 -0.082 1.00 15.11 C ATOM 583 NZ LYS A 37 17.454 2.858 -0.708 1.00 43.45 N ATOM 0 H LYS A 37 12.099 1.573 4.022 1.00 11.35 H new ATOM 0 HA LYS A 37 12.585 0.575 2.126 1.00 73.50 H new ATOM 0 HB2 LYS A 37 15.530 0.540 2.914 1.00 72.13 H new ATOM 0 HB3 LYS A 37 14.868 0.432 1.295 1.00 72.13 H new ATOM 0 HG2 LYS A 37 13.945 2.789 1.590 1.00 13.11 H new ATOM 0 HG3 LYS A 37 14.791 2.877 3.122 1.00 13.11 H new ATOM 0 HD2 LYS A 37 16.165 3.975 1.459 1.00 40.30 H new ATOM 0 HD3 LYS A 37 16.968 2.486 1.916 1.00 40.30 H new ATOM 0 HE2 LYS A 37 16.027 1.388 -0.160 1.00 15.11 H new ATOM 0 HE3 LYS A 37 15.336 2.929 -0.627 1.00 15.11 H new ATOM 0 HZ1 LYS A 37 17.462 2.559 -1.704 1.00 43.45 H new ATOM 0 HZ2 LYS A 37 17.567 3.890 -0.655 1.00 43.45 H new ATOM 0 HZ3 LYS A 37 18.237 2.397 -0.202 1.00 43.45 H new ATOM 597 N GLU A 38 14.467 -1.656 3.696 1.00 74.02 N ATOM 598 CA GLU A 38 14.712 -3.087 3.977 1.00 72.51 C ATOM 599 C GLU A 38 13.685 -3.660 4.964 1.00 45.24 C ATOM 600 O GLU A 38 13.288 -4.818 4.849 1.00 13.41 O ATOM 601 CB GLU A 38 16.175 -3.268 4.495 1.00 32.23 C ATOM 602 CG GLU A 38 16.642 -2.242 5.586 1.00 62.51 C ATOM 603 CD GLU A 38 16.551 -2.735 7.042 1.00 15.42 C ATOM 604 OE1 GLU A 38 17.507 -3.400 7.510 1.00 63.14 O ATOM 605 OE2 GLU A 38 15.550 -2.451 7.727 1.00 2.01 O ATOM 0 H GLU A 38 15.225 -1.053 4.016 1.00 74.02 H new ATOM 0 HA GLU A 38 14.592 -3.651 3.052 1.00 72.51 H new ATOM 0 HB2 GLU A 38 16.275 -4.274 4.902 1.00 32.23 H new ATOM 0 HB3 GLU A 38 16.853 -3.200 3.644 1.00 32.23 H new ATOM 0 HG2 GLU A 38 17.675 -1.963 5.379 1.00 62.51 H new ATOM 0 HG3 GLU A 38 16.042 -1.337 5.489 1.00 62.51 H new ATOM 612 N LYS A 39 13.254 -2.820 5.911 1.00 15.43 N ATOM 613 CA LYS A 39 12.245 -3.171 6.921 1.00 42.12 C ATOM 614 C LYS A 39 10.897 -3.537 6.278 1.00 41.31 C ATOM 615 O LYS A 39 10.264 -4.503 6.684 1.00 53.35 O ATOM 616 CB LYS A 39 12.076 -1.980 7.884 1.00 31.00 C ATOM 617 CG LYS A 39 11.083 -2.200 9.049 1.00 44.54 C ATOM 618 CD LYS A 39 10.908 -0.933 9.919 1.00 63.23 C ATOM 619 CE LYS A 39 9.935 -1.135 11.094 1.00 50.40 C ATOM 620 NZ LYS A 39 9.778 0.105 11.906 1.00 23.42 N ATOM 0 H LYS A 39 13.599 -1.864 6.000 1.00 15.43 H new ATOM 0 HA LYS A 39 12.586 -4.051 7.467 1.00 42.12 H new ATOM 0 HB2 LYS A 39 13.051 -1.733 8.303 1.00 31.00 H new ATOM 0 HB3 LYS A 39 11.748 -1.114 7.309 1.00 31.00 H new ATOM 0 HG2 LYS A 39 10.115 -2.498 8.647 1.00 44.54 H new ATOM 0 HG3 LYS A 39 11.435 -3.021 9.674 1.00 44.54 H new ATOM 0 HD2 LYS A 39 11.880 -0.630 10.308 1.00 63.23 H new ATOM 0 HD3 LYS A 39 10.547 -0.117 9.293 1.00 63.23 H new ATOM 0 HE2 LYS A 39 8.962 -1.443 10.711 1.00 50.40 H new ATOM 0 HE3 LYS A 39 10.297 -1.942 11.731 1.00 50.40 H new ATOM 0 HZ1 LYS A 39 9.155 -0.087 12.716 1.00 23.42 H new ATOM 0 HZ2 LYS A 39 10.709 0.414 12.251 1.00 23.42 H new ATOM 0 HZ3 LYS A 39 9.360 0.854 11.318 1.00 23.42 H new ATOM 634 N VAL A 40 10.497 -2.762 5.251 1.00 34.24 N ATOM 635 CA VAL A 40 9.213 -2.953 4.540 1.00 64.52 C ATOM 636 C VAL A 40 9.246 -4.250 3.714 1.00 51.12 C ATOM 637 O VAL A 40 8.218 -4.909 3.527 1.00 42.11 O ATOM 638 CB VAL A 40 8.861 -1.723 3.632 1.00 2.11 C ATOM 639 CG1 VAL A 40 7.457 -1.859 2.974 1.00 64.41 C ATOM 640 CG2 VAL A 40 8.972 -0.413 4.441 1.00 42.12 C ATOM 0 H VAL A 40 11.052 -1.986 4.890 1.00 34.24 H new ATOM 0 HA VAL A 40 8.427 -3.035 5.291 1.00 64.52 H new ATOM 0 HB VAL A 40 9.586 -1.696 2.818 1.00 2.11 H new ATOM 0 HG11 VAL A 40 7.259 -0.984 2.355 1.00 64.41 H new ATOM 0 HG12 VAL A 40 7.431 -2.755 2.354 1.00 64.41 H new ATOM 0 HG13 VAL A 40 6.697 -1.934 3.751 1.00 64.41 H new ATOM 0 HG21 VAL A 40 8.725 0.433 3.799 1.00 42.12 H new ATOM 0 HG22 VAL A 40 8.279 -0.445 5.282 1.00 42.12 H new ATOM 0 HG23 VAL A 40 9.990 -0.301 4.814 1.00 42.12 H new ATOM 650 N LYS A 41 10.443 -4.601 3.219 1.00 52.50 N ATOM 651 CA LYS A 41 10.691 -5.894 2.558 1.00 0.34 C ATOM 652 C LYS A 41 10.529 -7.059 3.560 1.00 62.55 C ATOM 653 O LYS A 41 10.010 -8.120 3.216 1.00 1.35 O ATOM 654 CB LYS A 41 12.099 -5.909 1.914 1.00 11.14 C ATOM 655 CG LYS A 41 12.263 -4.889 0.771 1.00 4.02 C ATOM 656 CD LYS A 41 13.671 -4.911 0.132 1.00 32.25 C ATOM 657 CE LYS A 41 13.751 -4.023 -1.119 1.00 61.53 C ATOM 658 NZ LYS A 41 15.116 -3.959 -1.700 1.00 42.10 N ATOM 0 H LYS A 41 11.265 -3.999 3.265 1.00 52.50 H new ATOM 0 HA LYS A 41 9.953 -6.026 1.767 1.00 0.34 H new ATOM 0 HB2 LYS A 41 12.844 -5.704 2.683 1.00 11.14 H new ATOM 0 HB3 LYS A 41 12.304 -6.909 1.531 1.00 11.14 H new ATOM 0 HG2 LYS A 41 11.519 -5.093 0.001 1.00 4.02 H new ATOM 0 HG3 LYS A 41 12.060 -3.889 1.154 1.00 4.02 H new ATOM 0 HD2 LYS A 41 14.406 -4.574 0.863 1.00 32.25 H new ATOM 0 HD3 LYS A 41 13.932 -5.935 -0.134 1.00 32.25 H new ATOM 0 HE2 LYS A 41 13.059 -4.402 -1.871 1.00 61.53 H new ATOM 0 HE3 LYS A 41 13.423 -3.015 -0.864 1.00 61.53 H new ATOM 0 HZ1 LYS A 41 15.302 -2.995 -2.044 1.00 42.10 H new ATOM 0 HZ2 LYS A 41 15.815 -4.208 -0.972 1.00 42.10 H new ATOM 0 HZ3 LYS A 41 15.188 -4.629 -2.492 1.00 42.10 H new ATOM 672 N GLU A 42 10.965 -6.832 4.811 1.00 65.12 N ATOM 673 CA GLU A 42 10.764 -7.792 5.913 1.00 0.31 C ATOM 674 C GLU A 42 9.279 -7.876 6.292 1.00 53.40 C ATOM 675 O GLU A 42 8.810 -8.936 6.687 1.00 72.23 O ATOM 676 CB GLU A 42 11.637 -7.428 7.138 1.00 62.24 C ATOM 677 CG GLU A 42 13.151 -7.545 6.876 1.00 24.52 C ATOM 678 CD GLU A 42 13.988 -7.248 8.123 1.00 23.30 C ATOM 679 OE1 GLU A 42 14.096 -6.063 8.500 1.00 54.32 O ATOM 680 OE2 GLU A 42 14.511 -8.198 8.754 1.00 31.24 O ATOM 0 H GLU A 42 11.463 -5.985 5.087 1.00 65.12 H new ATOM 0 HA GLU A 42 11.080 -8.776 5.568 1.00 0.31 H new ATOM 0 HB2 GLU A 42 11.408 -6.408 7.446 1.00 62.24 H new ATOM 0 HB3 GLU A 42 11.370 -8.079 7.970 1.00 62.24 H new ATOM 0 HG2 GLU A 42 13.378 -8.550 6.521 1.00 24.52 H new ATOM 0 HG3 GLU A 42 13.433 -6.855 6.081 1.00 24.52 H new ATOM 687 N GLU A 43 8.543 -6.753 6.143 1.00 12.12 N ATOM 688 CA GLU A 43 7.088 -6.717 6.357 1.00 32.31 C ATOM 689 C GLU A 43 6.363 -7.590 5.304 1.00 12.03 C ATOM 690 O GLU A 43 5.395 -8.287 5.627 1.00 73.41 O ATOM 691 CB GLU A 43 6.552 -5.258 6.318 1.00 4.12 C ATOM 692 CG GLU A 43 7.142 -4.301 7.375 1.00 22.44 C ATOM 693 CD GLU A 43 7.127 -4.877 8.805 1.00 41.55 C ATOM 694 OE1 GLU A 43 6.046 -4.927 9.429 1.00 3.45 O ATOM 695 OE2 GLU A 43 8.188 -5.293 9.303 1.00 11.33 O ATOM 0 H GLU A 43 8.942 -5.854 5.873 1.00 12.12 H new ATOM 0 HA GLU A 43 6.883 -7.124 7.347 1.00 32.31 H new ATOM 0 HB2 GLU A 43 6.749 -4.844 5.329 1.00 4.12 H new ATOM 0 HB3 GLU A 43 5.469 -5.284 6.442 1.00 4.12 H new ATOM 0 HG2 GLU A 43 8.169 -4.058 7.101 1.00 22.44 H new ATOM 0 HG3 GLU A 43 6.579 -3.367 7.362 1.00 22.44 H new ATOM 702 N ILE A 44 6.870 -7.550 4.049 1.00 32.35 N ATOM 703 CA ILE A 44 6.410 -8.427 2.952 1.00 62.12 C ATOM 704 C ILE A 44 6.646 -9.917 3.314 1.00 62.10 C ATOM 705 O ILE A 44 5.769 -10.764 3.095 1.00 13.04 O ATOM 706 CB ILE A 44 7.146 -8.077 1.597 1.00 51.21 C ATOM 707 CG1 ILE A 44 6.764 -6.647 1.095 1.00 2.31 C ATOM 708 CG2 ILE A 44 6.880 -9.133 0.492 1.00 43.14 C ATOM 709 CD1 ILE A 44 7.454 -6.242 -0.195 1.00 45.43 C ATOM 0 H ILE A 44 7.611 -6.907 3.771 1.00 32.35 H new ATOM 0 HA ILE A 44 5.342 -8.259 2.815 1.00 62.12 H new ATOM 0 HB ILE A 44 8.215 -8.093 1.811 1.00 51.21 H new ATOM 0 HG12 ILE A 44 5.685 -6.601 0.948 1.00 2.31 H new ATOM 0 HG13 ILE A 44 7.012 -5.922 1.871 1.00 2.31 H new ATOM 0 HG21 ILE A 44 7.407 -8.848 -0.418 1.00 43.14 H new ATOM 0 HG22 ILE A 44 7.236 -10.107 0.827 1.00 43.14 H new ATOM 0 HG23 ILE A 44 5.810 -9.187 0.290 1.00 43.14 H new ATOM 0 HD11 ILE A 44 7.137 -5.238 -0.477 1.00 45.43 H new ATOM 0 HD12 ILE A 44 8.534 -6.254 -0.049 1.00 45.43 H new ATOM 0 HD13 ILE A 44 7.187 -6.943 -0.986 1.00 45.43 H new ATOM 721 N GLU A 45 7.834 -10.203 3.898 1.00 73.22 N ATOM 722 CA GLU A 45 8.229 -11.564 4.317 1.00 52.21 C ATOM 723 C GLU A 45 7.291 -12.099 5.423 1.00 33.34 C ATOM 724 O GLU A 45 6.880 -13.264 5.385 1.00 0.14 O ATOM 725 CB GLU A 45 9.705 -11.583 4.799 1.00 73.31 C ATOM 726 CG GLU A 45 10.208 -12.981 5.209 1.00 23.11 C ATOM 727 CD GLU A 45 11.658 -12.995 5.702 1.00 60.52 C ATOM 728 OE1 GLU A 45 11.893 -12.688 6.892 1.00 64.52 O ATOM 729 OE2 GLU A 45 12.571 -13.314 4.910 1.00 44.10 O ATOM 0 H GLU A 45 8.543 -9.496 4.091 1.00 73.22 H new ATOM 0 HA GLU A 45 8.140 -12.220 3.451 1.00 52.21 H new ATOM 0 HB2 GLU A 45 10.342 -11.197 4.003 1.00 73.31 H new ATOM 0 HB3 GLU A 45 9.809 -10.907 5.647 1.00 73.31 H new ATOM 0 HG2 GLU A 45 9.563 -13.373 5.995 1.00 23.11 H new ATOM 0 HG3 GLU A 45 10.117 -13.654 4.357 1.00 23.11 H new ATOM 736 N LYS A 46 6.938 -11.212 6.376 1.00 34.02 N ATOM 737 CA LYS A 46 6.024 -11.526 7.497 1.00 13.42 C ATOM 738 C LYS A 46 4.603 -11.808 6.979 1.00 24.11 C ATOM 739 O LYS A 46 3.930 -12.730 7.452 1.00 43.54 O ATOM 740 CB LYS A 46 6.013 -10.348 8.516 1.00 43.02 C ATOM 741 CG LYS A 46 7.375 -10.102 9.201 1.00 12.35 C ATOM 742 CD LYS A 46 7.421 -8.791 10.018 1.00 14.11 C ATOM 743 CE LYS A 46 8.819 -8.509 10.594 1.00 3.42 C ATOM 744 NZ LYS A 46 8.834 -7.279 11.426 1.00 50.55 N ATOM 0 H LYS A 46 7.281 -10.251 6.391 1.00 34.02 H new ATOM 0 HA LYS A 46 6.382 -12.424 8.000 1.00 13.42 H new ATOM 0 HB2 LYS A 46 5.706 -9.438 8.001 1.00 43.02 H new ATOM 0 HB3 LYS A 46 5.263 -10.549 9.281 1.00 43.02 H new ATOM 0 HG2 LYS A 46 7.599 -10.941 9.860 1.00 12.35 H new ATOM 0 HG3 LYS A 46 8.156 -10.076 8.441 1.00 12.35 H new ATOM 0 HD2 LYS A 46 7.118 -7.959 9.382 1.00 14.11 H new ATOM 0 HD3 LYS A 46 6.700 -8.848 10.833 1.00 14.11 H new ATOM 0 HE2 LYS A 46 9.143 -9.359 11.195 1.00 3.42 H new ATOM 0 HE3 LYS A 46 9.534 -8.405 9.778 1.00 3.42 H new ATOM 0 HZ1 LYS A 46 9.770 -7.168 11.865 1.00 50.55 H new ATOM 0 HZ2 LYS A 46 8.632 -6.453 10.828 1.00 50.55 H new ATOM 0 HZ3 LYS A 46 8.110 -7.354 12.169 1.00 50.55 H new ATOM 758 N ALA A 47 4.185 -11.016 5.973 1.00 74.33 N ATOM 759 CA ALA A 47 2.851 -11.116 5.354 1.00 12.00 C ATOM 760 C ALA A 47 2.654 -12.459 4.640 1.00 20.43 C ATOM 761 O ALA A 47 1.660 -13.144 4.868 1.00 12.34 O ATOM 762 CB ALA A 47 2.649 -9.964 4.371 1.00 71.33 C ATOM 0 H ALA A 47 4.768 -10.285 5.565 1.00 74.33 H new ATOM 0 HA ALA A 47 2.108 -11.054 6.149 1.00 12.00 H new ATOM 0 HB1 ALA A 47 1.662 -10.043 3.916 1.00 71.33 H new ATOM 0 HB2 ALA A 47 2.730 -9.015 4.901 1.00 71.33 H new ATOM 0 HB3 ALA A 47 3.411 -10.011 3.593 1.00 71.33 H new ATOM 768 N ARG A 48 3.629 -12.831 3.787 1.00 51.41 N ATOM 769 CA ARG A 48 3.574 -14.073 2.989 1.00 12.01 C ATOM 770 C ARG A 48 3.815 -15.315 3.870 1.00 11.54 C ATOM 771 O ARG A 48 3.361 -16.409 3.532 1.00 54.03 O ATOM 772 CB ARG A 48 4.569 -14.022 1.799 1.00 14.02 C ATOM 773 CG ARG A 48 6.057 -13.988 2.199 1.00 43.03 C ATOM 774 CD ARG A 48 6.999 -13.803 0.998 1.00 14.42 C ATOM 775 NE ARG A 48 6.842 -14.849 -0.040 1.00 31.33 N ATOM 776 CZ ARG A 48 7.435 -16.056 -0.029 1.00 51.24 C ATOM 777 NH1 ARG A 48 8.230 -16.418 0.973 1.00 11.33 N ATOM 778 NH2 ARG A 48 7.226 -16.903 -1.026 1.00 15.21 N ATOM 0 H ARG A 48 4.474 -12.281 3.632 1.00 51.41 H new ATOM 0 HA ARG A 48 2.569 -14.155 2.574 1.00 12.01 H new ATOM 0 HB2 ARG A 48 4.398 -14.891 1.164 1.00 14.02 H new ATOM 0 HB3 ARG A 48 4.349 -13.140 1.198 1.00 14.02 H new ATOM 0 HG2 ARG A 48 6.218 -13.176 2.908 1.00 43.03 H new ATOM 0 HG3 ARG A 48 6.310 -14.915 2.713 1.00 43.03 H new ATOM 0 HD2 ARG A 48 6.816 -12.826 0.550 1.00 14.42 H new ATOM 0 HD3 ARG A 48 8.030 -13.804 1.351 1.00 14.42 H new ATOM 0 HE ARG A 48 6.233 -14.635 -0.830 1.00 31.33 H new ATOM 0 HH11 ARG A 48 8.398 -15.777 1.748 1.00 11.33 H new ATOM 0 HH12 ARG A 48 8.672 -17.337 0.967 1.00 11.33 H new ATOM 0 HH21 ARG A 48 6.616 -16.639 -1.800 1.00 15.21 H new ATOM 0 HH22 ARG A 48 7.675 -17.819 -1.020 1.00 15.21 H new ATOM 792 N LYS A 49 4.542 -15.138 4.996 1.00 24.34 N ATOM 793 CA LYS A 49 4.749 -16.220 5.986 1.00 33.22 C ATOM 794 C LYS A 49 3.422 -16.523 6.722 1.00 22.52 C ATOM 795 O LYS A 49 3.130 -17.676 7.054 1.00 71.41 O ATOM 796 CB LYS A 49 5.886 -15.855 6.984 1.00 55.34 C ATOM 797 CG LYS A 49 6.335 -17.028 7.889 1.00 3.21 C ATOM 798 CD LYS A 49 7.618 -16.723 8.701 1.00 53.14 C ATOM 799 CE LYS A 49 8.134 -17.957 9.467 1.00 25.11 C ATOM 800 NZ LYS A 49 9.364 -17.659 10.250 1.00 11.51 N ATOM 0 H LYS A 49 4.995 -14.258 5.242 1.00 24.34 H new ATOM 0 HA LYS A 49 5.062 -17.122 5.460 1.00 33.22 H new ATOM 0 HB2 LYS A 49 6.747 -15.495 6.421 1.00 55.34 H new ATOM 0 HB3 LYS A 49 5.551 -15.032 7.615 1.00 55.34 H new ATOM 0 HG2 LYS A 49 5.528 -17.275 8.579 1.00 3.21 H new ATOM 0 HG3 LYS A 49 6.506 -17.909 7.271 1.00 3.21 H new ATOM 0 HD2 LYS A 49 8.396 -16.366 8.026 1.00 53.14 H new ATOM 0 HD3 LYS A 49 7.415 -15.918 9.408 1.00 53.14 H new ATOM 0 HE2 LYS A 49 7.355 -18.317 10.140 1.00 25.11 H new ATOM 0 HE3 LYS A 49 8.341 -18.761 8.760 1.00 25.11 H new ATOM 0 HZ1 LYS A 49 9.675 -18.517 10.748 1.00 11.51 H new ATOM 0 HZ2 LYS A 49 10.116 -17.341 9.607 1.00 11.51 H new ATOM 0 HZ3 LYS A 49 9.162 -16.910 10.943 1.00 11.51 H new ATOM 814 N GLN A 50 2.612 -15.465 6.946 1.00 14.22 N ATOM 815 CA GLN A 50 1.223 -15.595 7.444 1.00 23.24 C ATOM 816 C GLN A 50 0.271 -16.009 6.301 1.00 65.44 C ATOM 817 O GLN A 50 -0.804 -16.559 6.550 1.00 73.31 O ATOM 818 CB GLN A 50 0.729 -14.258 8.075 1.00 44.34 C ATOM 819 CG GLN A 50 1.479 -13.827 9.355 1.00 22.52 C ATOM 820 CD GLN A 50 1.435 -14.865 10.493 1.00 63.42 C ATOM 821 OE1 GLN A 50 0.496 -15.658 10.616 1.00 34.54 O ATOM 822 NE2 GLN A 50 2.439 -14.852 11.348 1.00 14.12 N ATOM 0 H GLN A 50 2.901 -14.500 6.788 1.00 14.22 H new ATOM 0 HA GLN A 50 1.218 -16.369 8.211 1.00 23.24 H new ATOM 0 HB2 GLN A 50 0.823 -13.466 7.332 1.00 44.34 H new ATOM 0 HB3 GLN A 50 -0.332 -14.353 8.307 1.00 44.34 H new ATOM 0 HG2 GLN A 50 2.520 -13.626 9.102 1.00 22.52 H new ATOM 0 HG3 GLN A 50 1.052 -12.891 9.715 1.00 22.52 H new ATOM 0 HE21 GLN A 50 3.204 -14.188 11.226 1.00 14.12 H new ATOM 0 HE22 GLN A 50 2.451 -15.506 12.131 1.00 14.12 H new ATOM 831 N GLY A 51 0.687 -15.723 5.051 1.00 51.11 N ATOM 832 CA GLY A 51 -0.118 -15.999 3.860 1.00 74.32 C ATOM 833 C GLY A 51 -1.317 -15.067 3.728 1.00 2.51 C ATOM 834 O GLY A 51 -2.339 -15.439 3.151 1.00 32.23 O ATOM 0 H GLY A 51 1.590 -15.295 4.846 1.00 51.11 H new ATOM 0 HA2 GLY A 51 0.509 -15.905 2.973 1.00 74.32 H new ATOM 0 HA3 GLY A 51 -0.468 -17.031 3.895 1.00 74.32 H new ATOM 838 N ARG A 52 -1.180 -13.844 4.261 1.00 71.31 N ATOM 839 CA ARG A 52 -2.269 -12.849 4.351 1.00 14.33 C ATOM 840 C ARG A 52 -1.801 -11.475 3.822 1.00 40.04 C ATOM 841 O ARG A 52 -0.590 -11.206 3.812 1.00 42.41 O ATOM 842 CB ARG A 52 -2.755 -12.739 5.831 1.00 11.13 C ATOM 843 CG ARG A 52 -3.476 -14.005 6.349 1.00 13.25 C ATOM 844 CD ARG A 52 -4.022 -13.861 7.770 1.00 45.43 C ATOM 845 NE ARG A 52 -4.754 -15.071 8.187 1.00 12.14 N ATOM 846 CZ ARG A 52 -5.619 -15.138 9.207 1.00 4.24 C ATOM 847 NH1 ARG A 52 -5.887 -14.067 9.943 1.00 52.34 N ATOM 848 NH2 ARG A 52 -6.212 -16.290 9.486 1.00 32.52 N ATOM 0 H ARG A 52 -0.298 -13.509 4.649 1.00 71.31 H new ATOM 0 HA ARG A 52 -3.102 -13.177 3.729 1.00 14.33 H new ATOM 0 HB2 ARG A 52 -1.897 -12.534 6.471 1.00 11.13 H new ATOM 0 HB3 ARG A 52 -3.429 -11.887 5.919 1.00 11.13 H new ATOM 0 HG2 ARG A 52 -4.299 -14.246 5.675 1.00 13.25 H new ATOM 0 HG3 ARG A 52 -2.783 -14.846 6.319 1.00 13.25 H new ATOM 0 HD2 ARG A 52 -3.200 -13.674 8.461 1.00 45.43 H new ATOM 0 HD3 ARG A 52 -4.684 -12.997 7.822 1.00 45.43 H new ATOM 0 HE ARG A 52 -4.588 -15.926 7.656 1.00 12.14 H new ATOM 0 HH11 ARG A 52 -5.432 -13.178 9.735 1.00 52.34 H new ATOM 0 HH12 ARG A 52 -6.548 -14.132 10.717 1.00 52.34 H new ATOM 0 HH21 ARG A 52 -6.008 -17.117 8.925 1.00 32.52 H new ATOM 0 HH22 ARG A 52 -6.872 -16.349 10.261 1.00 32.52 H new ATOM 862 N PRO A 53 -2.754 -10.589 3.352 1.00 65.02 N ATOM 863 CA PRO A 53 -2.413 -9.217 2.890 1.00 74.12 C ATOM 864 C PRO A 53 -1.845 -8.327 4.022 1.00 72.23 C ATOM 865 O PRO A 53 -2.160 -8.520 5.208 1.00 31.34 O ATOM 866 CB PRO A 53 -3.770 -8.664 2.360 1.00 54.22 C ATOM 867 CG PRO A 53 -4.817 -9.470 3.071 1.00 74.33 C ATOM 868 CD PRO A 53 -4.221 -10.856 3.201 1.00 11.55 C ATOM 0 HA PRO A 53 -1.626 -9.225 2.136 1.00 74.12 H new ATOM 0 HB2 PRO A 53 -3.875 -7.601 2.576 1.00 54.22 H new ATOM 0 HB3 PRO A 53 -3.849 -8.779 1.279 1.00 54.22 H new ATOM 0 HG2 PRO A 53 -5.046 -9.045 4.048 1.00 74.33 H new ATOM 0 HG3 PRO A 53 -5.749 -9.492 2.507 1.00 74.33 H new ATOM 0 HD2 PRO A 53 -4.624 -11.388 4.063 1.00 11.55 H new ATOM 0 HD3 PRO A 53 -4.430 -11.468 2.323 1.00 11.55 H new ATOM 876 N ILE A 54 -1.014 -7.349 3.633 1.00 13.05 N ATOM 877 CA ILE A 54 -0.417 -6.374 4.561 1.00 62.10 C ATOM 878 C ILE A 54 -0.673 -4.950 4.050 1.00 62.12 C ATOM 879 O ILE A 54 -0.431 -4.650 2.879 1.00 42.22 O ATOM 880 CB ILE A 54 1.124 -6.621 4.756 1.00 53.24 C ATOM 881 CG1 ILE A 54 1.737 -5.583 5.747 1.00 13.25 C ATOM 882 CG2 ILE A 54 1.894 -6.622 3.411 1.00 0.42 C ATOM 883 CD1 ILE A 54 3.092 -5.957 6.279 1.00 42.54 C ATOM 0 H ILE A 54 -0.735 -7.210 2.662 1.00 13.05 H new ATOM 0 HA ILE A 54 -0.890 -6.500 5.535 1.00 62.10 H new ATOM 0 HB ILE A 54 1.233 -7.616 5.188 1.00 53.24 H new ATOM 0 HG12 ILE A 54 1.811 -4.619 5.244 1.00 13.25 H new ATOM 0 HG13 ILE A 54 1.054 -5.453 6.586 1.00 13.25 H new ATOM 0 HG21 ILE A 54 2.954 -6.796 3.598 1.00 0.42 H new ATOM 0 HG22 ILE A 54 1.504 -7.412 2.769 1.00 0.42 H new ATOM 0 HG23 ILE A 54 1.767 -5.658 2.918 1.00 0.42 H new ATOM 0 HD11 ILE A 54 3.443 -5.181 6.959 1.00 42.54 H new ATOM 0 HD12 ILE A 54 3.024 -6.904 6.814 1.00 42.54 H new ATOM 0 HD13 ILE A 54 3.793 -6.057 5.451 1.00 42.54 H new ATOM 895 N VAL A 55 -1.191 -4.089 4.938 1.00 34.12 N ATOM 896 CA VAL A 55 -1.507 -2.702 4.606 1.00 62.01 C ATOM 897 C VAL A 55 -0.373 -1.782 5.104 1.00 14.20 C ATOM 898 O VAL A 55 -0.246 -1.548 6.305 1.00 34.15 O ATOM 899 CB VAL A 55 -2.895 -2.261 5.227 1.00 42.51 C ATOM 900 CG1 VAL A 55 -3.438 -1.019 4.495 1.00 34.55 C ATOM 901 CG2 VAL A 55 -3.928 -3.417 5.197 1.00 2.40 C ATOM 0 H VAL A 55 -1.401 -4.339 5.904 1.00 34.12 H new ATOM 0 HA VAL A 55 -1.593 -2.616 3.523 1.00 62.01 H new ATOM 0 HB VAL A 55 -2.728 -2.004 6.273 1.00 42.51 H new ATOM 0 HG11 VAL A 55 -4.393 -0.727 4.933 1.00 34.55 H new ATOM 0 HG12 VAL A 55 -2.727 -0.198 4.594 1.00 34.55 H new ATOM 0 HG13 VAL A 55 -3.579 -1.251 3.439 1.00 34.55 H new ATOM 0 HG21 VAL A 55 -4.868 -3.076 5.631 1.00 2.40 H new ATOM 0 HG22 VAL A 55 -4.096 -3.728 4.166 1.00 2.40 H new ATOM 0 HG23 VAL A 55 -3.547 -4.261 5.773 1.00 2.40 H new ATOM 911 N ILE A 56 0.447 -1.277 4.160 1.00 64.03 N ATOM 912 CA ILE A 56 1.574 -0.375 4.464 1.00 53.22 C ATOM 913 C ILE A 56 1.123 1.086 4.280 1.00 42.30 C ATOM 914 O ILE A 56 0.863 1.518 3.163 1.00 4.41 O ATOM 915 CB ILE A 56 2.823 -0.680 3.534 1.00 34.10 C ATOM 916 CG1 ILE A 56 3.341 -2.143 3.746 1.00 61.12 C ATOM 917 CG2 ILE A 56 3.976 0.347 3.748 1.00 14.11 C ATOM 918 CD1 ILE A 56 3.933 -2.422 5.125 1.00 4.35 C ATOM 0 H ILE A 56 0.346 -1.484 3.166 1.00 64.03 H new ATOM 0 HA ILE A 56 1.880 -0.539 5.497 1.00 53.22 H new ATOM 0 HB ILE A 56 2.483 -0.580 2.503 1.00 34.10 H new ATOM 0 HG12 ILE A 56 2.515 -2.834 3.575 1.00 61.12 H new ATOM 0 HG13 ILE A 56 4.098 -2.358 2.992 1.00 61.12 H new ATOM 0 HG21 ILE A 56 4.810 0.100 3.091 1.00 14.11 H new ATOM 0 HG22 ILE A 56 3.617 1.350 3.517 1.00 14.11 H new ATOM 0 HG23 ILE A 56 4.308 0.310 4.786 1.00 14.11 H new ATOM 0 HD11 ILE A 56 4.264 -3.459 5.176 1.00 4.35 H new ATOM 0 HD12 ILE A 56 4.783 -1.761 5.297 1.00 4.35 H new ATOM 0 HD13 ILE A 56 3.176 -2.245 5.889 1.00 4.35 H new ATOM 930 N PHE A 57 1.036 1.836 5.386 1.00 34.53 N ATOM 931 CA PHE A 57 0.694 3.270 5.354 1.00 14.54 C ATOM 932 C PHE A 57 1.991 4.090 5.307 1.00 35.32 C ATOM 933 O PHE A 57 2.791 4.060 6.246 1.00 12.35 O ATOM 934 CB PHE A 57 -0.148 3.672 6.598 1.00 34.53 C ATOM 935 CG PHE A 57 -1.605 3.243 6.536 1.00 0.33 C ATOM 936 CD1 PHE A 57 -1.993 1.947 6.870 1.00 31.24 C ATOM 937 CD2 PHE A 57 -2.589 4.145 6.128 1.00 13.22 C ATOM 938 CE1 PHE A 57 -3.320 1.574 6.798 1.00 21.32 C ATOM 939 CE2 PHE A 57 -3.906 3.764 6.051 1.00 4.52 C ATOM 940 CZ PHE A 57 -4.268 2.483 6.381 1.00 34.42 C ATOM 0 H PHE A 57 1.199 1.472 6.325 1.00 34.53 H new ATOM 0 HA PHE A 57 0.094 3.472 4.467 1.00 14.54 H new ATOM 0 HB2 PHE A 57 0.309 3.237 7.487 1.00 34.53 H new ATOM 0 HB3 PHE A 57 -0.105 4.755 6.716 1.00 34.53 H new ATOM 0 HD1 PHE A 57 -1.251 1.230 7.187 1.00 31.24 H new ATOM 0 HD2 PHE A 57 -2.311 5.156 5.869 1.00 13.22 H new ATOM 0 HE1 PHE A 57 -3.615 0.571 7.068 1.00 21.32 H new ATOM 0 HE2 PHE A 57 -4.656 4.472 5.731 1.00 4.52 H new ATOM 0 HZ PHE A 57 -5.304 2.184 6.314 1.00 34.42 H new ATOM 950 N ILE A 58 2.208 4.778 4.183 1.00 73.33 N ATOM 951 CA ILE A 58 3.335 5.710 3.996 1.00 53.35 C ATOM 952 C ILE A 58 2.870 6.940 3.221 1.00 23.52 C ATOM 953 O ILE A 58 1.885 6.901 2.486 1.00 42.43 O ATOM 954 CB ILE A 58 4.552 5.065 3.236 1.00 13.42 C ATOM 955 CG1 ILE A 58 4.099 4.394 1.911 1.00 63.23 C ATOM 956 CG2 ILE A 58 5.341 4.075 4.133 1.00 11.25 C ATOM 957 CD1 ILE A 58 5.242 3.827 1.102 1.00 34.51 C ATOM 0 H ILE A 58 1.602 4.706 3.365 1.00 73.33 H new ATOM 0 HA ILE A 58 3.676 5.983 4.994 1.00 53.35 H new ATOM 0 HB ILE A 58 5.235 5.875 2.981 1.00 13.42 H new ATOM 0 HG12 ILE A 58 3.395 3.594 2.140 1.00 63.23 H new ATOM 0 HG13 ILE A 58 3.564 5.126 1.306 1.00 63.23 H new ATOM 0 HG21 ILE A 58 6.172 3.654 3.567 1.00 11.25 H new ATOM 0 HG22 ILE A 58 5.727 4.603 5.005 1.00 11.25 H new ATOM 0 HG23 ILE A 58 4.679 3.272 4.458 1.00 11.25 H new ATOM 0 HD11 ILE A 58 4.853 3.374 0.190 1.00 34.51 H new ATOM 0 HD12 ILE A 58 5.936 4.627 0.842 1.00 34.51 H new ATOM 0 HD13 ILE A 58 5.763 3.071 1.689 1.00 34.51 H new ATOM 969 N ARG A 59 3.591 8.036 3.414 1.00 51.11 N ATOM 970 CA ARG A 59 3.331 9.309 2.741 1.00 22.22 C ATOM 971 C ARG A 59 4.083 9.342 1.386 1.00 32.41 C ATOM 972 O ARG A 59 4.947 8.479 1.142 1.00 3.20 O ATOM 973 CB ARG A 59 3.766 10.453 3.703 1.00 10.22 C ATOM 974 CG ARG A 59 3.096 11.821 3.456 1.00 64.34 C ATOM 975 CD ARG A 59 3.533 12.859 4.504 1.00 72.42 C ATOM 976 NE ARG A 59 2.981 14.200 4.264 1.00 23.22 N ATOM 977 CZ ARG A 59 2.900 15.167 5.189 1.00 64.24 C ATOM 978 NH1 ARG A 59 3.337 14.967 6.437 1.00 30.54 N ATOM 979 NH2 ARG A 59 2.396 16.340 4.853 1.00 23.04 N ATOM 0 H ARG A 59 4.386 8.070 4.052 1.00 51.11 H new ATOM 0 HA ARG A 59 2.273 9.437 2.512 1.00 22.22 H new ATOM 0 HB2 ARG A 59 3.553 10.144 4.726 1.00 10.22 H new ATOM 0 HB3 ARG A 59 4.846 10.578 3.626 1.00 10.22 H new ATOM 0 HG2 ARG A 59 3.353 12.179 2.459 1.00 64.34 H new ATOM 0 HG3 ARG A 59 2.012 11.707 3.485 1.00 64.34 H new ATOM 0 HD2 ARG A 59 3.224 12.519 5.492 1.00 72.42 H new ATOM 0 HD3 ARG A 59 4.621 12.919 4.513 1.00 72.42 H new ATOM 0 HE ARG A 59 2.635 14.410 3.328 1.00 23.22 H new ATOM 0 HH11 ARG A 59 3.740 14.067 6.698 1.00 30.54 H new ATOM 0 HH12 ARG A 59 3.267 15.714 7.128 1.00 30.54 H new ATOM 0 HH21 ARG A 59 2.074 16.502 3.899 1.00 23.04 H new ATOM 0 HH22 ARG A 59 2.329 17.084 5.547 1.00 23.04 H new ATOM 993 N GLY A 60 3.756 10.343 0.538 1.00 54.13 N ATOM 994 CA GLY A 60 4.305 10.470 -0.828 1.00 33.53 C ATOM 995 C GLY A 60 5.834 10.431 -0.922 1.00 21.12 C ATOM 996 O GLY A 60 6.378 9.975 -1.935 1.00 54.12 O ATOM 0 H GLY A 60 3.102 11.086 0.784 1.00 54.13 H new ATOM 0 HA2 GLY A 60 3.898 9.666 -1.442 1.00 33.53 H new ATOM 0 HA3 GLY A 60 3.954 11.408 -1.258 1.00 33.53 H new ATOM 1000 N ALA A 61 6.512 10.891 0.150 1.00 32.42 N ATOM 1001 CA ALA A 61 7.986 10.874 0.256 1.00 64.03 C ATOM 1002 C ALA A 61 8.540 9.439 0.215 1.00 40.31 C ATOM 1003 O ALA A 61 9.406 9.115 -0.608 1.00 3.33 O ATOM 1004 CB ALA A 61 8.421 11.572 1.552 1.00 35.10 C ATOM 0 H ALA A 61 6.051 11.286 0.969 1.00 32.42 H new ATOM 0 HA ALA A 61 8.393 11.410 -0.601 1.00 64.03 H new ATOM 0 HB1 ALA A 61 9.508 11.557 1.626 1.00 35.10 H new ATOM 0 HB2 ALA A 61 8.072 12.605 1.544 1.00 35.10 H new ATOM 0 HB3 ALA A 61 7.992 11.051 2.408 1.00 35.10 H new ATOM 1010 N TYR A 62 7.982 8.575 1.078 1.00 1.11 N ATOM 1011 CA TYR A 62 8.427 7.180 1.244 1.00 24.44 C ATOM 1012 C TYR A 62 8.033 6.318 0.033 1.00 74.21 C ATOM 1013 O TYR A 62 8.653 5.295 -0.226 1.00 63.43 O ATOM 1014 CB TYR A 62 7.834 6.548 2.514 1.00 72.30 C ATOM 1015 CG TYR A 62 7.993 7.371 3.793 1.00 61.10 C ATOM 1016 CD1 TYR A 62 9.250 7.597 4.357 1.00 73.21 C ATOM 1017 CD2 TYR A 62 6.882 7.920 4.434 1.00 73.12 C ATOM 1018 CE1 TYR A 62 9.383 8.326 5.521 1.00 50.22 C ATOM 1019 CE2 TYR A 62 7.015 8.644 5.594 1.00 70.51 C ATOM 1020 CZ TYR A 62 8.261 8.849 6.127 1.00 61.04 C ATOM 1021 OH TYR A 62 8.386 9.575 7.290 1.00 31.40 O ATOM 0 H TYR A 62 7.202 8.826 1.686 1.00 1.11 H new ATOM 0 HA TYR A 62 9.513 7.209 1.329 1.00 24.44 H new ATOM 0 HB2 TYR A 62 6.772 6.368 2.348 1.00 72.30 H new ATOM 0 HB3 TYR A 62 8.302 5.575 2.668 1.00 72.30 H new ATOM 0 HD1 TYR A 62 10.130 7.196 3.876 1.00 73.21 H new ATOM 0 HD2 TYR A 62 5.899 7.773 4.011 1.00 73.12 H new ATOM 0 HE1 TYR A 62 10.359 8.486 5.954 1.00 50.22 H new ATOM 0 HE2 TYR A 62 6.142 9.050 6.084 1.00 70.51 H new ATOM 0 HH TYR A 62 7.501 9.873 7.586 1.00 31.40 H new ATOM 1031 N GLU A 63 6.928 6.707 -0.633 1.00 10.12 N ATOM 1032 CA GLU A 63 6.374 5.991 -1.798 1.00 13.41 C ATOM 1033 C GLU A 63 7.410 5.816 -2.942 1.00 54.14 C ATOM 1034 O GLU A 63 7.373 4.809 -3.667 1.00 74.11 O ATOM 1035 CB GLU A 63 5.120 6.716 -2.309 1.00 30.14 C ATOM 1036 CG GLU A 63 4.380 5.957 -3.436 1.00 15.32 C ATOM 1037 CD GLU A 63 3.293 6.766 -4.153 1.00 22.33 C ATOM 1038 OE1 GLU A 63 3.462 7.992 -4.350 1.00 43.14 O ATOM 1039 OE2 GLU A 63 2.259 6.182 -4.520 1.00 44.41 O ATOM 0 H GLU A 63 6.390 7.534 -0.375 1.00 10.12 H new ATOM 0 HA GLU A 63 6.106 4.988 -1.466 1.00 13.41 H new ATOM 0 HB2 GLU A 63 4.435 6.870 -1.475 1.00 30.14 H new ATOM 0 HB3 GLU A 63 5.405 7.703 -2.674 1.00 30.14 H new ATOM 0 HG2 GLU A 63 5.112 5.626 -4.173 1.00 15.32 H new ATOM 0 HG3 GLU A 63 3.926 5.061 -3.013 1.00 15.32 H new ATOM 1046 N GLU A 64 8.354 6.777 -3.051 1.00 73.11 N ATOM 1047 CA GLU A 64 9.500 6.699 -3.989 1.00 64.54 C ATOM 1048 C GLU A 64 10.294 5.386 -3.793 1.00 12.42 C ATOM 1049 O GLU A 64 10.713 4.739 -4.763 1.00 12.31 O ATOM 1050 CB GLU A 64 10.435 7.925 -3.777 1.00 23.22 C ATOM 1051 CG GLU A 64 11.730 7.892 -4.608 1.00 64.44 C ATOM 1052 CD GLU A 64 12.655 9.081 -4.341 1.00 14.10 C ATOM 1053 OE1 GLU A 64 13.404 9.046 -3.344 1.00 62.51 O ATOM 1054 OE2 GLU A 64 12.650 10.049 -5.128 1.00 4.41 O ATOM 0 H GLU A 64 8.344 7.630 -2.491 1.00 73.11 H new ATOM 0 HA GLU A 64 9.112 6.709 -5.007 1.00 64.54 H new ATOM 0 HB2 GLU A 64 9.884 8.833 -4.023 1.00 23.22 H new ATOM 0 HB3 GLU A 64 10.698 7.987 -2.721 1.00 23.22 H new ATOM 0 HG2 GLU A 64 12.267 6.968 -4.393 1.00 64.44 H new ATOM 0 HG3 GLU A 64 11.473 7.872 -5.667 1.00 64.44 H new ATOM 1061 N VAL A 65 10.416 4.989 -2.518 1.00 12.53 N ATOM 1062 CA VAL A 65 11.134 3.784 -2.086 1.00 53.21 C ATOM 1063 C VAL A 65 10.402 2.486 -2.511 1.00 20.04 C ATOM 1064 O VAL A 65 11.063 1.476 -2.777 1.00 34.22 O ATOM 1065 CB VAL A 65 11.347 3.794 -0.527 1.00 13.11 C ATOM 1066 CG1 VAL A 65 12.101 2.547 -0.047 1.00 25.33 C ATOM 1067 CG2 VAL A 65 12.062 5.087 -0.070 1.00 62.21 C ATOM 0 H VAL A 65 10.008 5.510 -1.742 1.00 12.53 H new ATOM 0 HA VAL A 65 12.105 3.796 -2.582 1.00 53.21 H new ATOM 0 HB VAL A 65 10.360 3.774 -0.066 1.00 13.11 H new ATOM 0 HG11 VAL A 65 12.228 2.592 1.035 1.00 25.33 H new ATOM 0 HG12 VAL A 65 11.532 1.655 -0.309 1.00 25.33 H new ATOM 0 HG13 VAL A 65 13.080 2.507 -0.526 1.00 25.33 H new ATOM 0 HG21 VAL A 65 12.196 5.066 1.012 1.00 62.21 H new ATOM 0 HG22 VAL A 65 13.036 5.155 -0.555 1.00 62.21 H new ATOM 0 HG23 VAL A 65 11.459 5.953 -0.344 1.00 62.21 H new ATOM 1077 N VAL A 66 9.041 2.533 -2.606 1.00 72.20 N ATOM 1078 CA VAL A 66 8.212 1.352 -2.985 1.00 63.12 C ATOM 1079 C VAL A 66 8.711 0.723 -4.295 1.00 30.14 C ATOM 1080 O VAL A 66 8.739 -0.486 -4.404 1.00 22.11 O ATOM 1081 CB VAL A 66 6.674 1.693 -3.128 1.00 64.21 C ATOM 1082 CG1 VAL A 66 5.840 0.491 -3.664 1.00 73.04 C ATOM 1083 CG2 VAL A 66 6.113 2.175 -1.786 1.00 73.31 C ATOM 0 H VAL A 66 8.497 3.376 -2.425 1.00 72.20 H new ATOM 0 HA VAL A 66 8.321 0.641 -2.166 1.00 63.12 H new ATOM 0 HB VAL A 66 6.590 2.491 -3.866 1.00 64.21 H new ATOM 0 HG11 VAL A 66 4.792 0.781 -3.742 1.00 73.04 H new ATOM 0 HG12 VAL A 66 6.211 0.201 -4.647 1.00 73.04 H new ATOM 0 HG13 VAL A 66 5.933 -0.351 -2.978 1.00 73.04 H new ATOM 0 HG21 VAL A 66 5.054 2.407 -1.897 1.00 73.31 H new ATOM 0 HG22 VAL A 66 6.237 1.392 -1.038 1.00 73.31 H new ATOM 0 HG23 VAL A 66 6.649 3.069 -1.468 1.00 73.31 H new ATOM 1093 N ARG A 67 9.179 1.572 -5.228 1.00 42.32 N ATOM 1094 CA ARG A 67 9.754 1.144 -6.526 1.00 65.42 C ATOM 1095 C ARG A 67 10.899 0.099 -6.342 1.00 40.34 C ATOM 1096 O ARG A 67 10.961 -0.912 -7.056 1.00 52.21 O ATOM 1097 CB ARG A 67 10.282 2.404 -7.262 1.00 12.52 C ATOM 1098 CG ARG A 67 11.011 2.150 -8.602 1.00 31.24 C ATOM 1099 CD ARG A 67 11.555 3.450 -9.225 1.00 11.13 C ATOM 1100 NE ARG A 67 12.516 4.155 -8.338 1.00 43.24 N ATOM 1101 CZ ARG A 67 12.529 5.484 -8.098 1.00 54.54 C ATOM 1102 NH1 ARG A 67 11.637 6.293 -8.664 1.00 62.54 N ATOM 1103 NH2 ARG A 67 13.444 5.996 -7.283 1.00 31.35 N ATOM 0 H ARG A 67 9.171 2.585 -5.105 1.00 42.32 H new ATOM 0 HA ARG A 67 8.977 0.656 -7.114 1.00 65.42 H new ATOM 0 HB2 ARG A 67 9.440 3.070 -7.450 1.00 12.52 H new ATOM 0 HB3 ARG A 67 10.963 2.932 -6.595 1.00 12.52 H new ATOM 0 HG2 ARG A 67 11.835 1.455 -8.439 1.00 31.24 H new ATOM 0 HG3 ARG A 67 10.325 1.673 -9.302 1.00 31.24 H new ATOM 0 HD2 ARG A 67 12.044 3.217 -10.171 1.00 11.13 H new ATOM 0 HD3 ARG A 67 10.722 4.115 -9.452 1.00 11.13 H new ATOM 0 HE ARG A 67 13.225 3.588 -7.872 1.00 43.24 H new ATOM 0 HH11 ARG A 67 10.928 5.912 -9.291 1.00 62.54 H new ATOM 0 HH12 ARG A 67 11.662 7.294 -8.471 1.00 62.54 H new ATOM 0 HH21 ARG A 67 14.132 5.386 -6.842 1.00 31.35 H new ATOM 0 HH22 ARG A 67 13.458 6.999 -7.098 1.00 31.35 H new ATOM 1117 N ASP A 68 11.763 0.354 -5.343 1.00 31.40 N ATOM 1118 CA ASP A 68 12.886 -0.536 -4.955 1.00 62.11 C ATOM 1119 C ASP A 68 12.360 -1.809 -4.238 1.00 42.14 C ATOM 1120 O ASP A 68 12.839 -2.925 -4.479 1.00 12.22 O ATOM 1121 CB ASP A 68 13.862 0.259 -4.037 1.00 50.44 C ATOM 1122 CG ASP A 68 15.086 -0.553 -3.567 1.00 74.14 C ATOM 1123 OD1 ASP A 68 16.095 -0.603 -4.307 1.00 44.20 O ATOM 1124 OD2 ASP A 68 15.047 -1.139 -2.466 1.00 0.12 O ATOM 0 H ASP A 68 11.705 1.196 -4.770 1.00 31.40 H new ATOM 0 HA ASP A 68 13.417 -0.864 -5.849 1.00 62.11 H new ATOM 0 HB2 ASP A 68 14.209 1.142 -4.573 1.00 50.44 H new ATOM 0 HB3 ASP A 68 13.315 0.611 -3.162 1.00 50.44 H new ATOM 1129 N ILE A 69 11.344 -1.604 -3.383 1.00 41.41 N ATOM 1130 CA ILE A 69 10.681 -2.666 -2.590 1.00 24.51 C ATOM 1131 C ILE A 69 9.887 -3.646 -3.503 1.00 62.43 C ATOM 1132 O ILE A 69 9.750 -4.842 -3.188 1.00 24.42 O ATOM 1133 CB ILE A 69 9.756 -2.014 -1.488 1.00 60.13 C ATOM 1134 CG1 ILE A 69 10.589 -1.029 -0.598 1.00 53.45 C ATOM 1135 CG2 ILE A 69 9.058 -3.080 -0.608 1.00 44.15 C ATOM 1136 CD1 ILE A 69 9.758 -0.213 0.373 1.00 25.20 C ATOM 0 H ILE A 69 10.949 -0.678 -3.217 1.00 41.41 H new ATOM 0 HA ILE A 69 11.447 -3.257 -2.089 1.00 24.51 H new ATOM 0 HB ILE A 69 8.973 -1.458 -2.004 1.00 60.13 H new ATOM 0 HG12 ILE A 69 11.327 -1.601 -0.035 1.00 53.45 H new ATOM 0 HG13 ILE A 69 11.141 -0.349 -1.247 1.00 53.45 H new ATOM 0 HG21 ILE A 69 8.433 -2.585 0.135 1.00 44.15 H new ATOM 0 HG22 ILE A 69 8.438 -3.721 -1.235 1.00 44.15 H new ATOM 0 HG23 ILE A 69 9.811 -3.685 -0.104 1.00 44.15 H new ATOM 0 HD11 ILE A 69 10.411 0.442 0.950 1.00 25.20 H new ATOM 0 HD12 ILE A 69 9.038 0.389 -0.181 1.00 25.20 H new ATOM 0 HD13 ILE A 69 9.227 -0.883 1.049 1.00 25.20 H new ATOM 1148 N VAL A 70 9.399 -3.113 -4.650 1.00 5.43 N ATOM 1149 CA VAL A 70 8.639 -3.861 -5.669 1.00 5.11 C ATOM 1150 C VAL A 70 9.442 -5.063 -6.197 1.00 53.00 C ATOM 1151 O VAL A 70 8.893 -6.161 -6.317 1.00 13.31 O ATOM 1152 CB VAL A 70 8.225 -2.917 -6.880 1.00 41.24 C ATOM 1153 CG1 VAL A 70 7.837 -3.718 -8.145 1.00 3.33 C ATOM 1154 CG2 VAL A 70 7.068 -1.973 -6.475 1.00 51.11 C ATOM 0 H VAL A 70 9.528 -2.131 -4.893 1.00 5.43 H new ATOM 0 HA VAL A 70 7.735 -4.233 -5.187 1.00 5.11 H new ATOM 0 HB VAL A 70 9.104 -2.320 -7.124 1.00 41.24 H new ATOM 0 HG11 VAL A 70 7.563 -3.028 -8.943 1.00 3.33 H new ATOM 0 HG12 VAL A 70 8.684 -4.325 -8.465 1.00 3.33 H new ATOM 0 HG13 VAL A 70 6.991 -4.367 -7.919 1.00 3.33 H new ATOM 0 HG21 VAL A 70 6.804 -1.338 -7.321 1.00 51.11 H new ATOM 0 HG22 VAL A 70 6.201 -2.565 -6.181 1.00 51.11 H new ATOM 0 HG23 VAL A 70 7.383 -1.350 -5.638 1.00 51.11 H new ATOM 1164 N GLU A 71 10.747 -4.830 -6.491 1.00 34.21 N ATOM 1165 CA GLU A 71 11.643 -5.867 -7.037 1.00 63.50 C ATOM 1166 C GLU A 71 11.681 -7.100 -6.113 1.00 65.31 C ATOM 1167 O GLU A 71 11.535 -8.224 -6.587 1.00 62.42 O ATOM 1168 CB GLU A 71 13.081 -5.324 -7.268 1.00 54.13 C ATOM 1169 CG GLU A 71 14.057 -6.378 -7.844 1.00 31.25 C ATOM 1170 CD GLU A 71 15.519 -5.913 -7.896 1.00 74.14 C ATOM 1171 OE1 GLU A 71 16.210 -5.996 -6.854 1.00 73.41 O ATOM 1172 OE2 GLU A 71 15.987 -5.481 -8.972 1.00 72.20 O ATOM 0 H GLU A 71 11.198 -3.925 -6.356 1.00 34.21 H new ATOM 0 HA GLU A 71 11.239 -6.164 -8.005 1.00 63.50 H new ATOM 0 HB2 GLU A 71 13.034 -4.474 -7.949 1.00 54.13 H new ATOM 0 HB3 GLU A 71 13.477 -4.953 -6.322 1.00 54.13 H new ATOM 0 HG2 GLU A 71 13.996 -7.283 -7.240 1.00 31.25 H new ATOM 0 HG3 GLU A 71 13.735 -6.644 -8.851 1.00 31.25 H new ATOM 1179 N TYR A 72 11.807 -6.846 -4.790 1.00 23.50 N ATOM 1180 CA TYR A 72 11.805 -7.896 -3.752 1.00 14.44 C ATOM 1181 C TYR A 72 10.517 -8.732 -3.814 1.00 72.04 C ATOM 1182 O TYR A 72 10.575 -9.957 -3.863 1.00 43.50 O ATOM 1183 CB TYR A 72 11.952 -7.263 -2.345 1.00 15.13 C ATOM 1184 CG TYR A 72 11.881 -8.269 -1.175 1.00 13.23 C ATOM 1185 CD1 TYR A 72 13.016 -8.963 -0.751 1.00 35.32 C ATOM 1186 CD2 TYR A 72 10.676 -8.526 -0.506 1.00 23.33 C ATOM 1187 CE1 TYR A 72 12.949 -9.873 0.286 1.00 1.54 C ATOM 1188 CE2 TYR A 72 10.616 -9.436 0.528 1.00 51.21 C ATOM 1189 CZ TYR A 72 11.750 -10.101 0.922 1.00 11.01 C ATOM 1190 OH TYR A 72 11.687 -11.008 1.958 1.00 10.23 O ATOM 0 H TYR A 72 11.913 -5.904 -4.414 1.00 23.50 H new ATOM 0 HA TYR A 72 12.653 -8.554 -3.940 1.00 14.44 H new ATOM 0 HB2 TYR A 72 12.905 -6.736 -2.296 1.00 15.13 H new ATOM 0 HB3 TYR A 72 11.168 -6.517 -2.213 1.00 15.13 H new ATOM 0 HD1 TYR A 72 13.962 -8.785 -1.242 1.00 35.32 H new ATOM 0 HD2 TYR A 72 9.780 -8.003 -0.806 1.00 23.33 H new ATOM 0 HE1 TYR A 72 13.836 -10.405 0.597 1.00 1.54 H new ATOM 0 HE2 TYR A 72 9.677 -9.625 1.028 1.00 51.21 H new ATOM 0 HH TYR A 72 11.231 -11.821 1.654 1.00 10.23 H new ATOM 1200 N ALA A 73 9.362 -8.038 -3.832 1.00 42.12 N ATOM 1201 CA ALA A 73 8.037 -8.682 -3.853 1.00 3.34 C ATOM 1202 C ALA A 73 7.817 -9.479 -5.152 1.00 40.41 C ATOM 1203 O ALA A 73 7.148 -10.509 -5.135 1.00 74.44 O ATOM 1204 CB ALA A 73 6.935 -7.642 -3.658 1.00 42.21 C ATOM 0 H ALA A 73 9.323 -7.019 -3.832 1.00 42.12 H new ATOM 0 HA ALA A 73 7.996 -9.390 -3.025 1.00 3.34 H new ATOM 0 HB1 ALA A 73 5.963 -8.134 -3.676 1.00 42.21 H new ATOM 0 HB2 ALA A 73 7.071 -7.143 -2.699 1.00 42.21 H new ATOM 0 HB3 ALA A 73 6.984 -6.906 -4.460 1.00 42.21 H new ATOM 1210 N GLN A 74 8.414 -8.997 -6.267 1.00 43.35 N ATOM 1211 CA GLN A 74 8.410 -9.712 -7.558 1.00 61.32 C ATOM 1212 C GLN A 74 9.224 -11.021 -7.452 1.00 63.03 C ATOM 1213 O GLN A 74 8.836 -12.047 -8.020 1.00 42.15 O ATOM 1214 CB GLN A 74 8.981 -8.826 -8.704 1.00 35.23 C ATOM 1215 CG GLN A 74 8.074 -7.661 -9.166 1.00 54.04 C ATOM 1216 CD GLN A 74 8.611 -6.940 -10.416 1.00 15.31 C ATOM 1217 OE1 GLN A 74 9.366 -7.505 -11.210 1.00 43.12 O ATOM 1218 NE2 GLN A 74 8.162 -5.725 -10.656 1.00 54.24 N ATOM 0 H GLN A 74 8.909 -8.106 -6.294 1.00 43.35 H new ATOM 0 HA GLN A 74 7.374 -9.951 -7.798 1.00 61.32 H new ATOM 0 HB2 GLN A 74 9.935 -8.412 -8.377 1.00 35.23 H new ATOM 0 HB3 GLN A 74 9.188 -9.464 -9.563 1.00 35.23 H new ATOM 0 HG2 GLN A 74 7.076 -8.046 -9.376 1.00 54.04 H new ATOM 0 HG3 GLN A 74 7.974 -6.942 -8.353 1.00 54.04 H new ATOM 0 HE21 GLN A 74 7.538 -5.271 -9.989 1.00 54.24 H new ATOM 0 HE22 GLN A 74 8.438 -5.238 -11.509 1.00 54.24 H new ATOM 1227 N LYS A 75 10.353 -10.970 -6.697 1.00 15.53 N ATOM 1228 CA LYS A 75 11.221 -12.151 -6.469 1.00 71.33 C ATOM 1229 C LYS A 75 10.492 -13.190 -5.596 1.00 61.42 C ATOM 1230 O LYS A 75 10.623 -14.397 -5.819 1.00 62.01 O ATOM 1231 CB LYS A 75 12.573 -11.759 -5.803 1.00 62.35 C ATOM 1232 CG LYS A 75 13.416 -10.716 -6.571 1.00 55.11 C ATOM 1233 CD LYS A 75 13.704 -11.093 -8.045 1.00 54.52 C ATOM 1234 CE LYS A 75 14.557 -10.028 -8.761 1.00 0.42 C ATOM 1235 NZ LYS A 75 14.763 -10.357 -10.196 1.00 0.31 N ATOM 0 H LYS A 75 10.682 -10.121 -6.236 1.00 15.53 H new ATOM 0 HA LYS A 75 11.442 -12.584 -7.444 1.00 71.33 H new ATOM 0 HB2 LYS A 75 12.367 -11.371 -4.805 1.00 62.35 H new ATOM 0 HB3 LYS A 75 13.171 -12.662 -5.677 1.00 62.35 H new ATOM 0 HG2 LYS A 75 12.897 -9.758 -6.548 1.00 55.11 H new ATOM 0 HG3 LYS A 75 14.364 -10.578 -6.051 1.00 55.11 H new ATOM 0 HD2 LYS A 75 14.220 -12.053 -8.079 1.00 54.52 H new ATOM 0 HD3 LYS A 75 12.761 -11.219 -8.577 1.00 54.52 H new ATOM 0 HE2 LYS A 75 14.070 -9.056 -8.677 1.00 0.42 H new ATOM 0 HE3 LYS A 75 15.524 -9.944 -8.265 1.00 0.42 H new ATOM 0 HZ1 LYS A 75 15.341 -9.617 -10.642 1.00 0.31 H new ATOM 0 HZ2 LYS A 75 15.250 -11.272 -10.276 1.00 0.31 H new ATOM 0 HZ3 LYS A 75 13.842 -10.412 -10.675 1.00 0.31 H new ATOM 1249 N GLU A 76 9.721 -12.691 -4.609 1.00 24.41 N ATOM 1250 CA GLU A 76 8.862 -13.521 -3.741 1.00 35.43 C ATOM 1251 C GLU A 76 7.686 -14.108 -4.539 1.00 74.55 C ATOM 1252 O GLU A 76 7.141 -15.155 -4.173 1.00 2.13 O ATOM 1253 CB GLU A 76 8.337 -12.672 -2.545 1.00 51.30 C ATOM 1254 CG GLU A 76 9.433 -12.018 -1.675 1.00 1.34 C ATOM 1255 CD GLU A 76 10.359 -13.008 -0.934 1.00 53.34 C ATOM 1256 OE1 GLU A 76 11.293 -13.554 -1.555 1.00 71.22 O ATOM 1257 OE2 GLU A 76 10.176 -13.220 0.288 1.00 72.44 O ATOM 0 H GLU A 76 9.677 -11.696 -4.391 1.00 24.41 H new ATOM 0 HA GLU A 76 9.456 -14.349 -3.354 1.00 35.43 H new ATOM 0 HB2 GLU A 76 7.687 -11.888 -2.934 1.00 51.30 H new ATOM 0 HB3 GLU A 76 7.722 -13.309 -1.909 1.00 51.30 H new ATOM 0 HG2 GLU A 76 10.045 -11.378 -2.310 1.00 1.34 H new ATOM 0 HG3 GLU A 76 8.954 -11.372 -0.939 1.00 1.34 H new ATOM 1264 N GLY A 77 7.314 -13.409 -5.630 1.00 25.11 N ATOM 1265 CA GLY A 77 6.222 -13.820 -6.508 1.00 61.14 C ATOM 1266 C GLY A 77 4.870 -13.420 -5.946 1.00 24.22 C ATOM 1267 O GLY A 77 3.930 -14.213 -5.944 1.00 71.24 O ATOM 0 H GLY A 77 7.769 -12.543 -5.920 1.00 25.11 H new ATOM 0 HA2 GLY A 77 6.356 -13.368 -7.491 1.00 61.14 H new ATOM 0 HA3 GLY A 77 6.253 -14.901 -6.647 1.00 61.14 H new ATOM 1271 N LEU A 78 4.795 -12.173 -5.467 1.00 22.23 N ATOM 1272 CA LEU A 78 3.609 -11.603 -4.805 1.00 12.21 C ATOM 1273 C LEU A 78 3.067 -10.420 -5.611 1.00 25.35 C ATOM 1274 O LEU A 78 3.783 -9.839 -6.439 1.00 32.13 O ATOM 1275 CB LEU A 78 3.984 -11.112 -3.382 1.00 50.44 C ATOM 1276 CG LEU A 78 4.497 -12.195 -2.390 1.00 1.33 C ATOM 1277 CD1 LEU A 78 4.824 -11.565 -1.031 1.00 31.02 C ATOM 1278 CD2 LEU A 78 3.492 -13.356 -2.243 1.00 72.02 C ATOM 0 H LEU A 78 5.572 -11.515 -5.529 1.00 22.23 H new ATOM 0 HA LEU A 78 2.845 -12.378 -4.740 1.00 12.21 H new ATOM 0 HB2 LEU A 78 4.752 -10.344 -3.477 1.00 50.44 H new ATOM 0 HB3 LEU A 78 3.108 -10.634 -2.943 1.00 50.44 H new ATOM 0 HG LEU A 78 5.414 -12.618 -2.801 1.00 1.33 H new ATOM 0 HD11 LEU A 78 5.181 -12.336 -0.349 1.00 31.02 H new ATOM 0 HD12 LEU A 78 5.597 -10.807 -1.158 1.00 31.02 H new ATOM 0 HD13 LEU A 78 3.927 -11.103 -0.619 1.00 31.02 H new ATOM 0 HD21 LEU A 78 3.886 -14.092 -1.542 1.00 72.02 H new ATOM 0 HD22 LEU A 78 2.543 -12.971 -1.869 1.00 72.02 H new ATOM 0 HD23 LEU A 78 3.335 -13.827 -3.214 1.00 72.02 H new ATOM 1290 N ARG A 79 1.800 -10.062 -5.340 1.00 25.34 N ATOM 1291 CA ARG A 79 1.170 -8.850 -5.876 1.00 1.35 C ATOM 1292 C ARG A 79 1.639 -7.622 -5.091 1.00 45.05 C ATOM 1293 O ARG A 79 1.677 -7.642 -3.859 1.00 40.12 O ATOM 1294 CB ARG A 79 -0.388 -8.950 -5.827 1.00 25.13 C ATOM 1295 CG ARG A 79 -1.029 -9.621 -7.058 1.00 74.01 C ATOM 1296 CD ARG A 79 -0.777 -8.817 -8.351 1.00 14.13 C ATOM 1297 NE ARG A 79 -1.365 -9.476 -9.531 1.00 43.15 N ATOM 1298 CZ ARG A 79 -2.322 -8.959 -10.313 1.00 31.31 C ATOM 1299 NH1 ARG A 79 -2.831 -7.756 -10.063 1.00 70.05 N ATOM 1300 NH2 ARG A 79 -2.755 -9.655 -11.352 1.00 21.54 N ATOM 0 H ARG A 79 1.184 -10.610 -4.740 1.00 25.34 H new ATOM 0 HA ARG A 79 1.470 -8.749 -6.919 1.00 1.35 H new ATOM 0 HB2 ARG A 79 -0.675 -9.508 -4.935 1.00 25.13 H new ATOM 0 HB3 ARG A 79 -0.800 -7.946 -5.721 1.00 25.13 H new ATOM 0 HG2 ARG A 79 -0.627 -10.628 -7.173 1.00 74.01 H new ATOM 0 HG3 ARG A 79 -2.102 -9.723 -6.898 1.00 74.01 H new ATOM 0 HD2 ARG A 79 -1.199 -7.818 -8.245 1.00 14.13 H new ATOM 0 HD3 ARG A 79 0.296 -8.696 -8.500 1.00 14.13 H new ATOM 0 HE ARG A 79 -1.014 -10.403 -9.772 1.00 43.15 H new ATOM 0 HH11 ARG A 79 -2.493 -7.215 -9.267 1.00 70.05 H new ATOM 0 HH12 ARG A 79 -3.559 -7.375 -10.667 1.00 70.05 H new ATOM 0 HH21 ARG A 79 -2.360 -10.575 -11.550 1.00 21.54 H new ATOM 0 HH22 ARG A 79 -3.483 -9.272 -11.955 1.00 21.54 H new ATOM 1314 N VAL A 80 2.005 -6.570 -5.828 1.00 44.01 N ATOM 1315 CA VAL A 80 2.266 -5.243 -5.273 1.00 54.22 C ATOM 1316 C VAL A 80 1.109 -4.352 -5.738 1.00 2.22 C ATOM 1317 O VAL A 80 0.884 -4.210 -6.948 1.00 60.33 O ATOM 1318 CB VAL A 80 3.642 -4.633 -5.756 1.00 74.25 C ATOM 1319 CG1 VAL A 80 4.035 -3.409 -4.888 1.00 43.30 C ATOM 1320 CG2 VAL A 80 4.762 -5.700 -5.773 1.00 11.34 C ATOM 0 H VAL A 80 2.129 -6.618 -6.839 1.00 44.01 H new ATOM 0 HA VAL A 80 2.335 -5.308 -4.187 1.00 54.22 H new ATOM 0 HB VAL A 80 3.514 -4.289 -6.782 1.00 74.25 H new ATOM 0 HG11 VAL A 80 4.985 -3.005 -5.238 1.00 43.30 H new ATOM 0 HG12 VAL A 80 3.263 -2.643 -4.968 1.00 43.30 H new ATOM 0 HG13 VAL A 80 4.133 -3.718 -3.847 1.00 43.30 H new ATOM 0 HG21 VAL A 80 5.693 -5.245 -6.110 1.00 11.34 H new ATOM 0 HG22 VAL A 80 4.897 -6.102 -4.769 1.00 11.34 H new ATOM 0 HG23 VAL A 80 4.486 -6.507 -6.452 1.00 11.34 H new ATOM 1330 N LEU A 81 0.370 -3.791 -4.790 1.00 1.14 N ATOM 1331 CA LEU A 81 -0.832 -3.004 -5.067 1.00 14.24 C ATOM 1332 C LEU A 81 -0.767 -1.737 -4.227 1.00 14.21 C ATOM 1333 O LEU A 81 -0.925 -1.799 -3.022 1.00 21.01 O ATOM 1334 CB LEU A 81 -2.099 -3.849 -4.714 1.00 32.04 C ATOM 1335 CG LEU A 81 -3.487 -3.175 -4.959 1.00 34.15 C ATOM 1336 CD1 LEU A 81 -3.582 -2.646 -6.387 1.00 45.14 C ATOM 1337 CD2 LEU A 81 -4.654 -4.148 -4.648 1.00 72.42 C ATOM 0 H LEU A 81 0.587 -3.868 -3.796 1.00 1.14 H new ATOM 0 HA LEU A 81 -0.891 -2.736 -6.122 1.00 14.24 H new ATOM 0 HB2 LEU A 81 -2.063 -4.772 -5.292 1.00 32.04 H new ATOM 0 HB3 LEU A 81 -2.038 -4.129 -3.662 1.00 32.04 H new ATOM 0 HG LEU A 81 -3.574 -2.332 -4.274 1.00 34.15 H new ATOM 0 HD11 LEU A 81 -4.556 -2.180 -6.538 1.00 45.14 H new ATOM 0 HD12 LEU A 81 -2.797 -1.909 -6.555 1.00 45.14 H new ATOM 0 HD13 LEU A 81 -3.461 -3.471 -7.089 1.00 45.14 H new ATOM 0 HD21 LEU A 81 -5.604 -3.646 -4.829 1.00 72.42 H new ATOM 0 HD22 LEU A 81 -4.578 -5.025 -5.291 1.00 72.42 H new ATOM 0 HD23 LEU A 81 -4.601 -4.458 -3.604 1.00 72.42 H new ATOM 1349 N VAL A 82 -0.515 -0.590 -4.862 1.00 15.31 N ATOM 1350 CA VAL A 82 -0.468 0.696 -4.151 1.00 24.32 C ATOM 1351 C VAL A 82 -1.834 1.391 -4.274 1.00 25.52 C ATOM 1352 O VAL A 82 -2.344 1.611 -5.376 1.00 52.44 O ATOM 1353 CB VAL A 82 0.714 1.626 -4.645 1.00 23.22 C ATOM 1354 CG1 VAL A 82 2.088 0.997 -4.307 1.00 70.45 C ATOM 1355 CG2 VAL A 82 0.624 1.943 -6.152 1.00 10.34 C ATOM 0 H VAL A 82 -0.340 -0.522 -5.865 1.00 15.31 H new ATOM 0 HA VAL A 82 -0.259 0.498 -3.100 1.00 24.32 H new ATOM 0 HB VAL A 82 0.615 2.570 -4.110 1.00 23.22 H new ATOM 0 HG11 VAL A 82 2.885 1.654 -4.656 1.00 70.45 H new ATOM 0 HG12 VAL A 82 2.173 0.866 -3.228 1.00 70.45 H new ATOM 0 HG13 VAL A 82 2.175 0.028 -4.798 1.00 70.45 H new ATOM 0 HG21 VAL A 82 1.458 2.584 -6.439 1.00 10.34 H new ATOM 0 HG22 VAL A 82 0.666 1.015 -6.722 1.00 10.34 H new ATOM 0 HG23 VAL A 82 -0.316 2.455 -6.361 1.00 10.34 H new ATOM 1365 N ILE A 83 -2.443 1.675 -3.122 1.00 43.11 N ATOM 1366 CA ILE A 83 -3.723 2.369 -3.037 1.00 31.04 C ATOM 1367 C ILE A 83 -3.410 3.851 -2.769 1.00 44.10 C ATOM 1368 O ILE A 83 -2.982 4.214 -1.675 1.00 51.14 O ATOM 1369 CB ILE A 83 -4.602 1.770 -1.872 1.00 65.42 C ATOM 1370 CG1 ILE A 83 -4.714 0.217 -2.027 1.00 42.32 C ATOM 1371 CG2 ILE A 83 -6.008 2.439 -1.824 1.00 70.11 C ATOM 1372 CD1 ILE A 83 -5.370 -0.490 -0.859 1.00 61.31 C ATOM 0 H ILE A 83 -2.054 1.425 -2.213 1.00 43.11 H new ATOM 0 HA ILE A 83 -4.289 2.252 -3.961 1.00 31.04 H new ATOM 0 HB ILE A 83 -4.111 1.986 -0.923 1.00 65.42 H new ATOM 0 HG12 ILE A 83 -5.280 -0.004 -2.932 1.00 42.32 H new ATOM 0 HG13 ILE A 83 -3.714 -0.194 -2.168 1.00 42.32 H new ATOM 0 HG21 ILE A 83 -6.590 2.005 -1.011 1.00 70.11 H new ATOM 0 HG22 ILE A 83 -5.896 3.510 -1.658 1.00 70.11 H new ATOM 0 HG23 ILE A 83 -6.524 2.270 -2.769 1.00 70.11 H new ATOM 0 HD11 ILE A 83 -5.404 -1.562 -1.055 1.00 61.31 H new ATOM 0 HD12 ILE A 83 -4.795 -0.305 0.048 1.00 61.31 H new ATOM 0 HD13 ILE A 83 -6.384 -0.113 -0.729 1.00 61.31 H new ATOM 1384 N LYS A 84 -3.617 4.690 -3.784 1.00 12.41 N ATOM 1385 CA LYS A 84 -3.175 6.096 -3.791 1.00 43.45 C ATOM 1386 C LYS A 84 -4.377 7.037 -3.728 1.00 42.11 C ATOM 1387 O LYS A 84 -5.399 6.811 -4.398 1.00 33.11 O ATOM 1388 CB LYS A 84 -2.360 6.381 -5.083 1.00 74.04 C ATOM 1389 CG LYS A 84 -1.012 5.627 -5.180 1.00 52.41 C ATOM 1390 CD LYS A 84 -0.357 5.734 -6.582 1.00 53.34 C ATOM 1391 CE LYS A 84 -0.130 7.179 -7.056 1.00 1.34 C ATOM 1392 NZ LYS A 84 0.825 7.918 -6.187 1.00 22.13 N ATOM 0 H LYS A 84 -4.102 4.415 -4.638 1.00 12.41 H new ATOM 0 HA LYS A 84 -2.549 6.268 -2.916 1.00 43.45 H new ATOM 0 HB2 LYS A 84 -2.971 6.117 -5.946 1.00 74.04 H new ATOM 0 HB3 LYS A 84 -2.166 7.452 -5.145 1.00 74.04 H new ATOM 0 HG2 LYS A 84 -0.325 6.025 -4.433 1.00 52.41 H new ATOM 0 HG3 LYS A 84 -1.172 4.576 -4.939 1.00 52.41 H new ATOM 0 HD2 LYS A 84 0.600 5.213 -6.565 1.00 53.34 H new ATOM 0 HD3 LYS A 84 -0.988 5.219 -7.307 1.00 53.34 H new ATOM 0 HE2 LYS A 84 0.247 7.168 -8.079 1.00 1.34 H new ATOM 0 HE3 LYS A 84 -1.084 7.707 -7.074 1.00 1.34 H new ATOM 0 HZ1 LYS A 84 0.316 8.657 -5.661 1.00 22.13 H new ATOM 0 HZ2 LYS A 84 1.266 7.257 -5.516 1.00 22.13 H new ATOM 0 HZ3 LYS A 84 1.562 8.357 -6.775 1.00 22.13 H new ATOM 1406 N VAL A 85 -4.235 8.099 -2.919 1.00 61.42 N ATOM 1407 CA VAL A 85 -5.133 9.247 -2.965 1.00 51.01 C ATOM 1408 C VAL A 85 -4.614 10.197 -4.061 1.00 70.13 C ATOM 1409 O VAL A 85 -3.617 10.902 -3.869 1.00 52.01 O ATOM 1410 CB VAL A 85 -5.202 9.987 -1.568 1.00 74.13 C ATOM 1411 CG1 VAL A 85 -6.103 11.250 -1.627 1.00 32.13 C ATOM 1412 CG2 VAL A 85 -5.663 9.009 -0.456 1.00 5.32 C ATOM 0 H VAL A 85 -3.496 8.179 -2.221 1.00 61.42 H new ATOM 0 HA VAL A 85 -6.147 8.916 -3.191 1.00 51.01 H new ATOM 0 HB VAL A 85 -4.197 10.330 -1.322 1.00 74.13 H new ATOM 0 HG11 VAL A 85 -6.123 11.728 -0.648 1.00 32.13 H new ATOM 0 HG12 VAL A 85 -5.704 11.947 -2.364 1.00 32.13 H new ATOM 0 HG13 VAL A 85 -7.115 10.962 -1.911 1.00 32.13 H new ATOM 0 HG21 VAL A 85 -5.704 9.536 0.497 1.00 5.32 H new ATOM 0 HG22 VAL A 85 -6.652 8.621 -0.700 1.00 5.32 H new ATOM 0 HG23 VAL A 85 -4.957 8.182 -0.383 1.00 5.32 H new ATOM 1422 N ALA A 86 -5.272 10.150 -5.230 1.00 33.13 N ATOM 1423 CA ALA A 86 -4.953 11.025 -6.368 1.00 71.31 C ATOM 1424 C ALA A 86 -5.705 12.349 -6.212 1.00 42.21 C ATOM 1425 O ALA A 86 -6.773 12.388 -5.606 1.00 43.41 O ATOM 1426 CB ALA A 86 -5.310 10.329 -7.696 1.00 70.01 C ATOM 0 H ALA A 86 -6.040 9.504 -5.412 1.00 33.13 H new ATOM 0 HA ALA A 86 -3.883 11.232 -6.384 1.00 71.31 H new ATOM 0 HB1 ALA A 86 -5.068 10.989 -8.529 1.00 70.01 H new ATOM 0 HB2 ALA A 86 -4.739 9.405 -7.787 1.00 70.01 H new ATOM 0 HB3 ALA A 86 -6.376 10.100 -7.712 1.00 70.01 H new ATOM 1432 N GLN A 87 -5.120 13.434 -6.717 1.00 75.22 N ATOM 1433 CA GLN A 87 -5.732 14.781 -6.719 1.00 2.12 C ATOM 1434 C GLN A 87 -5.269 15.483 -7.994 1.00 22.12 C ATOM 1435 O GLN A 87 -4.844 16.648 -7.975 1.00 32.41 O ATOM 1436 CB GLN A 87 -5.351 15.563 -5.411 1.00 5.43 C ATOM 1437 CG GLN A 87 -6.090 15.078 -4.145 1.00 30.43 C ATOM 1438 CD GLN A 87 -5.692 15.814 -2.877 1.00 35.52 C ATOM 1439 OE1 GLN A 87 -4.791 15.389 -2.152 1.00 41.41 O ATOM 1440 NE2 GLN A 87 -6.337 16.941 -2.618 1.00 12.31 N ATOM 0 H GLN A 87 -4.194 13.412 -7.145 1.00 75.22 H new ATOM 0 HA GLN A 87 -6.821 14.728 -6.718 1.00 2.12 H new ATOM 0 HB2 GLN A 87 -4.277 15.474 -5.248 1.00 5.43 H new ATOM 0 HB3 GLN A 87 -5.564 16.622 -5.559 1.00 5.43 H new ATOM 0 HG2 GLN A 87 -7.163 15.192 -4.297 1.00 30.43 H new ATOM 0 HG3 GLN A 87 -5.898 14.013 -4.010 1.00 30.43 H new ATOM 0 HE21 GLN A 87 -7.078 17.260 -3.243 1.00 12.31 H new ATOM 0 HE22 GLN A 87 -6.093 17.490 -1.794 1.00 12.31 H new ATOM 1449 N ASP A 88 -5.419 14.736 -9.115 1.00 32.20 N ATOM 1450 CA ASP A 88 -4.721 14.976 -10.394 1.00 13.44 C ATOM 1451 C ASP A 88 -3.205 14.841 -10.140 1.00 11.55 C ATOM 1452 O ASP A 88 -2.680 13.725 -10.202 1.00 14.24 O ATOM 1453 CB ASP A 88 -5.083 16.344 -11.063 1.00 54.40 C ATOM 1454 CG ASP A 88 -6.579 16.501 -11.365 1.00 0.12 C ATOM 1455 OD1 ASP A 88 -7.361 16.721 -10.416 1.00 72.20 O ATOM 1456 OD2 ASP A 88 -6.990 16.395 -12.541 1.00 63.55 O ATOM 0 H ASP A 88 -6.045 13.931 -9.152 1.00 32.20 H new ATOM 0 HA ASP A 88 -5.054 14.230 -11.115 1.00 13.44 H new ATOM 0 HB2 ASP A 88 -4.766 17.155 -10.408 1.00 54.40 H new ATOM 0 HB3 ASP A 88 -4.521 16.446 -11.991 1.00 54.40 H new ATOM 1461 N GLN A 89 -2.562 15.977 -9.739 1.00 64.33 N ATOM 1462 CA GLN A 89 -1.130 16.071 -9.369 1.00 60.23 C ATOM 1463 C GLN A 89 -0.192 15.480 -10.443 1.00 12.25 C ATOM 1464 O GLN A 89 -0.025 14.272 -10.510 1.00 44.35 O ATOM 1465 CB GLN A 89 -0.855 15.418 -7.978 1.00 60.12 C ATOM 1466 CG GLN A 89 -1.637 16.022 -6.794 1.00 71.42 C ATOM 1467 CD GLN A 89 -1.465 17.538 -6.654 1.00 43.01 C ATOM 1468 OE1 GLN A 89 -0.529 18.012 -6.003 1.00 0.41 O ATOM 1469 NE2 GLN A 89 -2.376 18.307 -7.246 1.00 42.24 N ATOM 0 H GLN A 89 -3.045 16.872 -9.665 1.00 64.33 H new ATOM 0 HA GLN A 89 -0.905 17.136 -9.302 1.00 60.23 H new ATOM 0 HB2 GLN A 89 -1.091 14.356 -8.042 1.00 60.12 H new ATOM 0 HB3 GLN A 89 0.211 15.496 -7.764 1.00 60.12 H new ATOM 0 HG2 GLN A 89 -2.696 15.795 -6.915 1.00 71.42 H new ATOM 0 HG3 GLN A 89 -1.311 15.541 -5.872 1.00 71.42 H new ATOM 0 HE21 GLN A 89 -3.136 17.881 -7.776 1.00 42.24 H new ATOM 0 HE22 GLN A 89 -2.314 19.322 -7.170 1.00 42.24 H new ATOM 1478 N GLU A 90 0.436 16.361 -11.239 1.00 34.32 N ATOM 1479 CA GLU A 90 1.390 15.990 -12.309 1.00 55.51 C ATOM 1480 C GLU A 90 2.553 15.116 -11.769 1.00 41.21 C ATOM 1481 O GLU A 90 3.017 14.182 -12.447 1.00 34.02 O ATOM 1482 CB GLU A 90 1.937 17.285 -12.956 1.00 31.20 C ATOM 1483 CG GLU A 90 2.844 17.065 -14.181 1.00 55.11 C ATOM 1484 CD GLU A 90 3.399 18.377 -14.747 1.00 4.31 C ATOM 1485 OE1 GLU A 90 2.717 19.032 -15.556 1.00 2.21 O ATOM 1486 OE2 GLU A 90 4.515 18.776 -14.371 1.00 51.24 O ATOM 0 H GLU A 90 0.296 17.368 -11.160 1.00 34.32 H new ATOM 0 HA GLU A 90 0.866 15.391 -13.054 1.00 55.51 H new ATOM 0 HB2 GLU A 90 1.094 17.909 -13.254 1.00 31.20 H new ATOM 0 HB3 GLU A 90 2.496 17.842 -12.204 1.00 31.20 H new ATOM 0 HG2 GLU A 90 3.673 16.414 -13.902 1.00 55.11 H new ATOM 0 HG3 GLU A 90 2.280 16.548 -14.958 1.00 55.11 H new ATOM 1493 N LEU A 91 2.997 15.435 -10.537 1.00 54.43 N ATOM 1494 CA LEU A 91 4.049 14.679 -9.815 1.00 3.12 C ATOM 1495 C LEU A 91 3.587 13.230 -9.543 1.00 31.11 C ATOM 1496 O LEU A 91 4.351 12.272 -9.724 1.00 64.33 O ATOM 1497 CB LEU A 91 4.423 15.389 -8.473 1.00 14.20 C ATOM 1498 CG LEU A 91 5.338 16.666 -8.562 1.00 11.12 C ATOM 1499 CD1 LEU A 91 4.728 17.784 -9.435 1.00 11.35 C ATOM 1500 CD2 LEU A 91 5.680 17.192 -7.145 1.00 1.22 C ATOM 0 H LEU A 91 2.636 16.229 -10.008 1.00 54.43 H new ATOM 0 HA LEU A 91 4.937 14.649 -10.447 1.00 3.12 H new ATOM 0 HB2 LEU A 91 3.497 15.672 -7.972 1.00 14.20 H new ATOM 0 HB3 LEU A 91 4.922 14.661 -7.834 1.00 14.20 H new ATOM 0 HG LEU A 91 6.260 16.359 -9.056 1.00 11.12 H new ATOM 0 HD11 LEU A 91 5.405 18.638 -9.458 1.00 11.35 H new ATOM 0 HD12 LEU A 91 4.578 17.413 -10.449 1.00 11.35 H new ATOM 0 HD13 LEU A 91 3.770 18.091 -9.015 1.00 11.35 H new ATOM 0 HD21 LEU A 91 6.313 18.075 -7.228 1.00 1.22 H new ATOM 0 HD22 LEU A 91 4.760 17.453 -6.622 1.00 1.22 H new ATOM 0 HD23 LEU A 91 6.208 16.418 -6.587 1.00 1.22 H new ATOM 1512 N LEU A 92 2.311 13.103 -9.145 1.00 0.32 N ATOM 1513 CA LEU A 92 1.685 11.820 -8.806 1.00 11.40 C ATOM 1514 C LEU A 92 1.446 10.987 -10.078 1.00 15.20 C ATOM 1515 O LEU A 92 1.693 9.789 -10.065 1.00 33.05 O ATOM 1516 CB LEU A 92 0.373 12.092 -8.017 1.00 65.34 C ATOM 1517 CG LEU A 92 -0.482 10.860 -7.516 1.00 22.50 C ATOM 1518 CD1 LEU A 92 -1.215 11.192 -6.194 1.00 63.31 C ATOM 1519 CD2 LEU A 92 -1.507 10.369 -8.586 1.00 72.54 C ATOM 0 H LEU A 92 1.680 13.899 -9.049 1.00 0.32 H new ATOM 0 HA LEU A 92 2.347 11.232 -8.170 1.00 11.40 H new ATOM 0 HB2 LEU A 92 0.631 12.692 -7.144 1.00 65.34 H new ATOM 0 HB3 LEU A 92 -0.270 12.706 -8.647 1.00 65.34 H new ATOM 0 HG LEU A 92 0.223 10.048 -7.339 1.00 22.50 H new ATOM 0 HD11 LEU A 92 -1.795 10.327 -5.873 1.00 63.31 H new ATOM 0 HD12 LEU A 92 -0.484 11.444 -5.426 1.00 63.31 H new ATOM 0 HD13 LEU A 92 -1.883 12.039 -6.351 1.00 63.31 H new ATOM 0 HD21 LEU A 92 -2.068 9.522 -8.191 1.00 72.54 H new ATOM 0 HD22 LEU A 92 -2.196 11.178 -8.829 1.00 72.54 H new ATOM 0 HD23 LEU A 92 -0.975 10.063 -9.487 1.00 72.54 H new ATOM 1531 N GLU A 93 1.000 11.661 -11.169 1.00 61.34 N ATOM 1532 CA GLU A 93 0.658 11.020 -12.462 1.00 32.22 C ATOM 1533 C GLU A 93 1.878 10.348 -13.101 1.00 54.51 C ATOM 1534 O GLU A 93 1.768 9.248 -13.661 1.00 53.32 O ATOM 1535 CB GLU A 93 0.078 12.056 -13.454 1.00 15.10 C ATOM 1536 CG GLU A 93 -1.266 12.669 -13.042 1.00 42.13 C ATOM 1537 CD GLU A 93 -1.774 13.672 -14.082 1.00 12.30 C ATOM 1538 OE1 GLU A 93 -1.429 14.871 -13.993 1.00 32.20 O ATOM 1539 OE2 GLU A 93 -2.484 13.259 -15.029 1.00 13.02 O ATOM 0 H GLU A 93 0.867 12.672 -11.174 1.00 61.34 H new ATOM 0 HA GLU A 93 -0.091 10.258 -12.248 1.00 32.22 H new ATOM 0 HB2 GLU A 93 0.803 12.860 -13.581 1.00 15.10 H new ATOM 0 HB3 GLU A 93 -0.041 11.578 -14.426 1.00 15.10 H new ATOM 0 HG2 GLU A 93 -2.003 11.876 -12.911 1.00 42.13 H new ATOM 0 HG3 GLU A 93 -1.159 13.167 -12.078 1.00 42.13 H new ATOM 1546 N ARG A 94 3.038 11.037 -13.011 1.00 34.11 N ATOM 1547 CA ARG A 94 4.289 10.543 -13.592 1.00 33.34 C ATOM 1548 C ARG A 94 4.715 9.242 -12.891 1.00 13.02 C ATOM 1549 O ARG A 94 4.850 8.206 -13.546 1.00 23.34 O ATOM 1550 CB ARG A 94 5.406 11.624 -13.492 1.00 51.24 C ATOM 1551 CG ARG A 94 6.733 11.244 -14.204 1.00 13.41 C ATOM 1552 CD ARG A 94 6.542 10.983 -15.714 1.00 40.24 C ATOM 1553 NE ARG A 94 7.786 10.567 -16.393 1.00 42.31 N ATOM 1554 CZ ARG A 94 7.897 10.342 -17.715 1.00 24.31 C ATOM 1555 NH1 ARG A 94 6.847 10.481 -18.518 1.00 62.43 N ATOM 1556 NH2 ARG A 94 9.065 9.986 -18.231 1.00 51.32 N ATOM 0 H ARG A 94 3.125 11.937 -12.539 1.00 34.11 H new ATOM 0 HA ARG A 94 4.127 10.329 -14.649 1.00 33.34 H new ATOM 0 HB2 ARG A 94 5.033 12.555 -13.919 1.00 51.24 H new ATOM 0 HB3 ARG A 94 5.615 11.817 -12.440 1.00 51.24 H new ATOM 0 HG2 ARG A 94 7.458 12.046 -14.066 1.00 13.41 H new ATOM 0 HG3 ARG A 94 7.151 10.353 -13.735 1.00 13.41 H new ATOM 0 HD2 ARG A 94 5.785 10.210 -15.850 1.00 40.24 H new ATOM 0 HD3 ARG A 94 6.162 11.888 -16.188 1.00 40.24 H new ATOM 0 HE ARG A 94 8.620 10.441 -15.819 1.00 42.31 H new ATOM 0 HH11 ARG A 94 5.945 10.761 -18.134 1.00 62.43 H new ATOM 0 HH12 ARG A 94 6.944 10.308 -19.519 1.00 62.43 H new ATOM 0 HH21 ARG A 94 9.880 9.883 -17.626 1.00 51.32 H new ATOM 0 HH22 ARG A 94 9.149 9.815 -19.233 1.00 51.32 H new ATOM 1570 N PHE A 95 4.808 9.287 -11.543 1.00 44.20 N ATOM 1571 CA PHE A 95 5.258 8.139 -10.729 1.00 10.51 C ATOM 1572 C PHE A 95 4.265 6.960 -10.855 1.00 32.13 C ATOM 1573 O PHE A 95 4.676 5.809 -11.002 1.00 44.02 O ATOM 1574 CB PHE A 95 5.431 8.570 -9.251 1.00 72.23 C ATOM 1575 CG PHE A 95 6.051 7.489 -8.356 1.00 61.14 C ATOM 1576 CD1 PHE A 95 7.425 7.228 -8.401 1.00 15.25 C ATOM 1577 CD2 PHE A 95 5.267 6.726 -7.489 1.00 41.13 C ATOM 1578 CE1 PHE A 95 7.989 6.245 -7.607 1.00 12.43 C ATOM 1579 CE2 PHE A 95 5.835 5.744 -6.699 1.00 64.14 C ATOM 1580 CZ PHE A 95 7.193 5.505 -6.760 1.00 41.01 C ATOM 0 H PHE A 95 4.575 10.114 -10.994 1.00 44.20 H new ATOM 0 HA PHE A 95 6.225 7.800 -11.101 1.00 10.51 H new ATOM 0 HB2 PHE A 95 6.057 9.461 -9.214 1.00 72.23 H new ATOM 0 HB3 PHE A 95 4.457 8.847 -8.847 1.00 72.23 H new ATOM 0 HD1 PHE A 95 8.054 7.802 -9.065 1.00 15.25 H new ATOM 0 HD2 PHE A 95 4.203 6.905 -7.435 1.00 41.13 H new ATOM 0 HE1 PHE A 95 9.052 6.058 -7.651 1.00 12.43 H new ATOM 0 HE2 PHE A 95 5.215 5.163 -6.033 1.00 64.14 H new ATOM 0 HZ PHE A 95 7.633 4.736 -6.142 1.00 41.01 H new ATOM 1590 N TYR A 96 2.961 7.304 -10.868 1.00 3.53 N ATOM 1591 CA TYR A 96 1.829 6.364 -11.064 1.00 41.13 C ATOM 1592 C TYR A 96 2.030 5.504 -12.326 1.00 1.11 C ATOM 1593 O TYR A 96 1.814 4.282 -12.313 1.00 44.41 O ATOM 1594 CB TYR A 96 0.515 7.203 -11.190 1.00 41.23 C ATOM 1595 CG TYR A 96 -0.725 6.465 -11.725 1.00 5.12 C ATOM 1596 CD1 TYR A 96 -1.512 5.688 -10.889 1.00 24.35 C ATOM 1597 CD2 TYR A 96 -1.105 6.553 -13.074 1.00 72.24 C ATOM 1598 CE1 TYR A 96 -2.628 5.030 -11.363 1.00 12.34 C ATOM 1599 CE2 TYR A 96 -2.226 5.891 -13.549 1.00 44.03 C ATOM 1600 CZ TYR A 96 -2.981 5.131 -12.691 1.00 30.45 C ATOM 1601 OH TYR A 96 -4.095 4.462 -13.163 1.00 11.14 O ATOM 0 H TYR A 96 2.654 8.268 -10.739 1.00 3.53 H new ATOM 0 HA TYR A 96 1.770 5.686 -10.213 1.00 41.13 H new ATOM 0 HB2 TYR A 96 0.273 7.607 -10.207 1.00 41.23 H new ATOM 0 HB3 TYR A 96 0.714 8.052 -11.844 1.00 41.23 H new ATOM 0 HD1 TYR A 96 -1.246 5.596 -9.846 1.00 24.35 H new ATOM 0 HD2 TYR A 96 -0.513 7.148 -13.754 1.00 72.24 H new ATOM 0 HE1 TYR A 96 -3.227 4.434 -10.691 1.00 12.34 H new ATOM 0 HE2 TYR A 96 -2.504 5.973 -14.589 1.00 44.03 H new ATOM 0 HH TYR A 96 -4.203 4.641 -14.120 1.00 11.14 H new ATOM 1611 N GLU A 97 2.473 6.182 -13.393 1.00 52.41 N ATOM 1612 CA GLU A 97 2.631 5.609 -14.731 1.00 52.13 C ATOM 1613 C GLU A 97 3.794 4.604 -14.760 1.00 74.42 C ATOM 1614 O GLU A 97 3.660 3.527 -15.341 1.00 71.25 O ATOM 1615 CB GLU A 97 2.870 6.753 -15.749 1.00 50.15 C ATOM 1616 CG GLU A 97 2.990 6.307 -17.215 1.00 21.34 C ATOM 1617 CD GLU A 97 3.342 7.464 -18.152 1.00 3.05 C ATOM 1618 OE1 GLU A 97 4.549 7.730 -18.364 1.00 73.04 O ATOM 1619 OE2 GLU A 97 2.416 8.138 -18.659 1.00 22.30 O ATOM 0 H GLU A 97 2.737 7.166 -13.346 1.00 52.41 H new ATOM 0 HA GLU A 97 1.722 5.071 -15.001 1.00 52.13 H new ATOM 0 HB2 GLU A 97 2.050 7.467 -15.669 1.00 50.15 H new ATOM 0 HB3 GLU A 97 3.782 7.282 -15.471 1.00 50.15 H new ATOM 0 HG2 GLU A 97 3.754 5.534 -17.295 1.00 21.34 H new ATOM 0 HG3 GLU A 97 2.049 5.859 -17.533 1.00 21.34 H new ATOM 1626 N GLN A 98 4.912 4.965 -14.092 1.00 2.24 N ATOM 1627 CA GLN A 98 6.139 4.138 -14.051 1.00 20.24 C ATOM 1628 C GLN A 98 5.872 2.717 -13.513 1.00 40.41 C ATOM 1629 O GLN A 98 6.319 1.733 -14.112 1.00 51.42 O ATOM 1630 CB GLN A 98 7.262 4.827 -13.212 1.00 75.44 C ATOM 1631 CG GLN A 98 8.171 5.789 -14.004 1.00 53.02 C ATOM 1632 CD GLN A 98 7.525 7.119 -14.356 1.00 53.01 C ATOM 1633 OE1 GLN A 98 7.654 8.093 -13.614 1.00 14.31 O ATOM 1634 NE2 GLN A 98 6.799 7.172 -15.465 1.00 64.52 N ATOM 0 H GLN A 98 4.989 5.836 -13.567 1.00 2.24 H new ATOM 0 HA GLN A 98 6.479 4.043 -15.082 1.00 20.24 H new ATOM 0 HB2 GLN A 98 6.797 5.380 -12.396 1.00 75.44 H new ATOM 0 HB3 GLN A 98 7.883 4.054 -12.760 1.00 75.44 H new ATOM 0 HG2 GLN A 98 9.072 5.980 -13.421 1.00 53.02 H new ATOM 0 HG3 GLN A 98 8.485 5.297 -14.925 1.00 53.02 H new ATOM 0 HE21 GLN A 98 6.713 6.347 -16.058 1.00 64.52 H new ATOM 0 HE22 GLN A 98 6.327 8.038 -15.725 1.00 64.52 H new ATOM 1643 N LEU A 99 5.101 2.638 -12.411 1.00 14.01 N ATOM 1644 CA LEU A 99 4.773 1.361 -11.723 1.00 61.22 C ATOM 1645 C LEU A 99 4.041 0.380 -12.660 1.00 14.02 C ATOM 1646 O LEU A 99 4.214 -0.835 -12.559 1.00 42.12 O ATOM 1647 CB LEU A 99 3.935 1.632 -10.432 1.00 33.44 C ATOM 1648 CG LEU A 99 4.755 2.050 -9.163 1.00 11.23 C ATOM 1649 CD1 LEU A 99 5.577 3.321 -9.413 1.00 35.52 C ATOM 1650 CD2 LEU A 99 3.834 2.217 -7.938 1.00 1.55 C ATOM 0 H LEU A 99 4.684 3.456 -11.967 1.00 14.01 H new ATOM 0 HA LEU A 99 5.712 0.891 -11.433 1.00 61.22 H new ATOM 0 HB2 LEU A 99 3.212 2.418 -10.649 1.00 33.44 H new ATOM 0 HB3 LEU A 99 3.367 0.733 -10.195 1.00 33.44 H new ATOM 0 HG LEU A 99 5.458 1.245 -8.949 1.00 11.23 H new ATOM 0 HD11 LEU A 99 6.132 3.579 -8.511 1.00 35.52 H new ATOM 0 HD12 LEU A 99 6.276 3.147 -10.231 1.00 35.52 H new ATOM 0 HD13 LEU A 99 4.908 4.141 -9.675 1.00 35.52 H new ATOM 0 HD21 LEU A 99 4.429 2.507 -7.072 1.00 1.55 H new ATOM 0 HD22 LEU A 99 3.092 2.989 -8.143 1.00 1.55 H new ATOM 0 HD23 LEU A 99 3.329 1.274 -7.731 1.00 1.55 H new ATOM 1662 N LYS A 100 3.269 0.941 -13.598 1.00 1.21 N ATOM 1663 CA LYS A 100 2.488 0.170 -14.575 1.00 54.01 C ATOM 1664 C LYS A 100 3.410 -0.604 -15.564 1.00 3.30 C ATOM 1665 O LYS A 100 3.027 -1.666 -16.063 1.00 50.43 O ATOM 1666 CB LYS A 100 1.522 1.128 -15.323 1.00 41.10 C ATOM 1667 CG LYS A 100 0.610 2.007 -14.398 1.00 5.41 C ATOM 1668 CD LYS A 100 -0.763 1.364 -14.025 1.00 52.22 C ATOM 1669 CE LYS A 100 -0.671 0.141 -13.099 1.00 15.10 C ATOM 1670 NZ LYS A 100 -1.997 -0.489 -12.844 1.00 34.13 N ATOM 0 H LYS A 100 3.167 1.951 -13.702 1.00 1.21 H new ATOM 0 HA LYS A 100 1.903 -0.583 -14.048 1.00 54.01 H new ATOM 0 HB2 LYS A 100 2.111 1.788 -15.960 1.00 41.10 H new ATOM 0 HB3 LYS A 100 0.884 0.536 -15.980 1.00 41.10 H new ATOM 0 HG2 LYS A 100 1.154 2.226 -13.479 1.00 5.41 H new ATOM 0 HG3 LYS A 100 0.426 2.960 -14.894 1.00 5.41 H new ATOM 0 HD2 LYS A 100 -1.384 2.120 -13.545 1.00 52.22 H new ATOM 0 HD3 LYS A 100 -1.272 1.070 -14.943 1.00 52.22 H new ATOM 0 HE2 LYS A 100 -0.003 -0.596 -13.543 1.00 15.10 H new ATOM 0 HE3 LYS A 100 -0.228 0.442 -12.150 1.00 15.10 H new ATOM 0 HZ1 LYS A 100 -1.866 -1.498 -12.631 1.00 34.13 H new ATOM 0 HZ2 LYS A 100 -2.454 -0.021 -12.036 1.00 34.13 H new ATOM 0 HZ3 LYS A 100 -2.597 -0.388 -13.687 1.00 34.13 H new ATOM 1684 N LYS A 101 4.626 -0.058 -15.821 1.00 12.32 N ATOM 1685 CA LYS A 101 5.665 -0.719 -16.659 1.00 43.22 C ATOM 1686 C LYS A 101 6.328 -1.887 -15.888 1.00 23.10 C ATOM 1687 O LYS A 101 6.675 -2.914 -16.485 1.00 12.53 O ATOM 1688 CB LYS A 101 6.770 0.283 -17.143 1.00 44.11 C ATOM 1689 CG LYS A 101 6.332 1.320 -18.215 1.00 31.11 C ATOM 1690 CD LYS A 101 5.428 2.444 -17.661 1.00 33.12 C ATOM 1691 CE LYS A 101 5.067 3.516 -18.710 1.00 4.14 C ATOM 1692 NZ LYS A 101 6.252 4.276 -19.186 1.00 74.52 N ATOM 0 H LYS A 101 4.915 0.849 -15.456 1.00 12.32 H new ATOM 0 HA LYS A 101 5.154 -1.105 -17.541 1.00 43.22 H new ATOM 0 HB2 LYS A 101 7.145 0.825 -16.275 1.00 44.11 H new ATOM 0 HB3 LYS A 101 7.604 -0.293 -17.544 1.00 44.11 H new ATOM 0 HG2 LYS A 101 7.221 1.767 -18.659 1.00 31.11 H new ATOM 0 HG3 LYS A 101 5.803 0.801 -19.014 1.00 31.11 H new ATOM 0 HD2 LYS A 101 4.510 2.003 -17.273 1.00 33.12 H new ATOM 0 HD3 LYS A 101 5.931 2.923 -16.821 1.00 33.12 H new ATOM 0 HE2 LYS A 101 4.582 3.037 -19.561 1.00 4.14 H new ATOM 0 HE3 LYS A 101 4.344 4.210 -18.280 1.00 4.14 H new ATOM 0 HZ1 LYS A 101 5.942 5.048 -19.810 1.00 74.52 H new ATOM 0 HZ2 LYS A 101 6.760 4.674 -18.370 1.00 74.52 H new ATOM 0 HZ3 LYS A 101 6.885 3.639 -19.711 1.00 74.52 H new ATOM 1706 N ASP A 102 6.507 -1.705 -14.560 1.00 53.11 N ATOM 1707 CA ASP A 102 7.068 -2.745 -13.657 1.00 24.13 C ATOM 1708 C ASP A 102 6.061 -3.890 -13.416 1.00 43.54 C ATOM 1709 O ASP A 102 6.437 -4.953 -12.907 1.00 11.35 O ATOM 1710 CB ASP A 102 7.489 -2.124 -12.293 1.00 54.20 C ATOM 1711 CG ASP A 102 8.585 -1.055 -12.430 1.00 13.13 C ATOM 1712 OD1 ASP A 102 8.259 0.091 -12.793 1.00 1.15 O ATOM 1713 OD2 ASP A 102 9.778 -1.368 -12.211 1.00 41.22 O ATOM 0 H ASP A 102 6.268 -0.836 -14.082 1.00 53.11 H new ATOM 0 HA ASP A 102 7.948 -3.158 -14.150 1.00 24.13 H new ATOM 0 HB2 ASP A 102 6.614 -1.680 -11.817 1.00 54.20 H new ATOM 0 HB3 ASP A 102 7.843 -2.916 -11.634 1.00 54.20 H new ATOM 1718 N GLY A 103 4.781 -3.656 -13.783 1.00 11.00 N ATOM 1719 CA GLY A 103 3.706 -4.637 -13.581 1.00 43.11 C ATOM 1720 C GLY A 103 2.992 -4.460 -12.250 1.00 12.13 C ATOM 1721 O GLY A 103 2.167 -5.297 -11.865 1.00 71.13 O ATOM 0 H GLY A 103 4.472 -2.789 -14.223 1.00 11.00 H new ATOM 0 HA2 GLY A 103 2.982 -4.549 -14.391 1.00 43.11 H new ATOM 0 HA3 GLY A 103 4.123 -5.643 -13.634 1.00 43.11 H new ATOM 1725 N VAL A 104 3.341 -3.378 -11.528 1.00 54.02 N ATOM 1726 CA VAL A 104 2.719 -3.029 -10.245 1.00 42.54 C ATOM 1727 C VAL A 104 1.290 -2.548 -10.488 1.00 1.40 C ATOM 1728 O VAL A 104 1.061 -1.702 -11.359 1.00 20.43 O ATOM 1729 CB VAL A 104 3.509 -1.904 -9.489 1.00 42.54 C ATOM 1730 CG1 VAL A 104 2.941 -1.658 -8.070 1.00 42.31 C ATOM 1731 CG2 VAL A 104 5.008 -2.224 -9.446 1.00 43.33 C ATOM 0 H VAL A 104 4.065 -2.722 -11.823 1.00 54.02 H new ATOM 0 HA VAL A 104 2.728 -3.924 -9.624 1.00 42.54 H new ATOM 0 HB VAL A 104 3.380 -0.977 -10.048 1.00 42.54 H new ATOM 0 HG11 VAL A 104 3.515 -0.872 -7.579 1.00 42.31 H new ATOM 0 HG12 VAL A 104 1.897 -1.353 -8.144 1.00 42.31 H new ATOM 0 HG13 VAL A 104 3.010 -2.576 -7.486 1.00 42.31 H new ATOM 0 HG21 VAL A 104 5.535 -1.430 -8.917 1.00 43.33 H new ATOM 0 HG22 VAL A 104 5.163 -3.170 -8.928 1.00 43.33 H new ATOM 0 HG23 VAL A 104 5.393 -2.300 -10.463 1.00 43.33 H new ATOM 1741 N ASP A 105 0.349 -3.091 -9.721 1.00 20.40 N ATOM 1742 CA ASP A 105 -1.056 -2.712 -9.791 1.00 43.13 C ATOM 1743 C ASP A 105 -1.276 -1.471 -8.903 1.00 61.14 C ATOM 1744 O ASP A 105 -0.636 -1.331 -7.855 1.00 44.42 O ATOM 1745 CB ASP A 105 -1.936 -3.913 -9.342 1.00 51.14 C ATOM 1746 CG ASP A 105 -3.443 -3.803 -9.665 1.00 14.25 C ATOM 1747 OD1 ASP A 105 -3.924 -2.740 -10.142 1.00 54.34 O ATOM 1748 OD2 ASP A 105 -4.168 -4.799 -9.450 1.00 12.04 O ATOM 0 H ASP A 105 0.544 -3.813 -9.027 1.00 20.40 H new ATOM 0 HA ASP A 105 -1.342 -2.458 -10.812 1.00 43.13 H new ATOM 0 HB2 ASP A 105 -1.549 -4.818 -9.811 1.00 51.14 H new ATOM 0 HB3 ASP A 105 -1.823 -4.039 -8.265 1.00 51.14 H new ATOM 1753 N VAL A 106 -2.166 -0.568 -9.336 1.00 45.53 N ATOM 1754 CA VAL A 106 -2.480 0.672 -8.606 1.00 11.04 C ATOM 1755 C VAL A 106 -4.001 0.835 -8.540 1.00 33.50 C ATOM 1756 O VAL A 106 -4.682 0.631 -9.553 1.00 53.54 O ATOM 1757 CB VAL A 106 -1.890 1.971 -9.295 1.00 75.53 C ATOM 1758 CG1 VAL A 106 -2.133 3.215 -8.403 1.00 42.33 C ATOM 1759 CG2 VAL A 106 -0.390 1.835 -9.654 1.00 35.22 C ATOM 0 H VAL A 106 -2.691 -0.675 -10.204 1.00 45.53 H new ATOM 0 HA VAL A 106 -2.027 0.578 -7.619 1.00 11.04 H new ATOM 0 HB VAL A 106 -2.422 2.098 -10.238 1.00 75.53 H new ATOM 0 HG11 VAL A 106 -1.722 4.099 -8.891 1.00 42.33 H new ATOM 0 HG12 VAL A 106 -3.204 3.350 -8.251 1.00 42.33 H new ATOM 0 HG13 VAL A 106 -1.645 3.072 -7.439 1.00 42.33 H new ATOM 0 HG21 VAL A 106 -0.043 2.756 -10.123 1.00 35.22 H new ATOM 0 HG22 VAL A 106 0.186 1.650 -8.747 1.00 35.22 H new ATOM 0 HG23 VAL A 106 -0.255 1.003 -10.345 1.00 35.22 H new ATOM 1769 N ARG A 107 -4.529 1.212 -7.359 1.00 11.03 N ATOM 1770 CA ARG A 107 -5.927 1.650 -7.221 1.00 44.30 C ATOM 1771 C ARG A 107 -5.927 3.124 -6.797 1.00 1.21 C ATOM 1772 O ARG A 107 -5.598 3.441 -5.652 1.00 40.31 O ATOM 1773 CB ARG A 107 -6.694 0.786 -6.172 1.00 13.53 C ATOM 1774 CG ARG A 107 -6.641 -0.735 -6.433 1.00 30.20 C ATOM 1775 CD ARG A 107 -7.113 -1.136 -7.846 1.00 51.42 C ATOM 1776 NE ARG A 107 -6.737 -2.526 -8.185 1.00 31.24 N ATOM 1777 CZ ARG A 107 -7.466 -3.363 -8.929 1.00 33.11 C ATOM 1778 NH1 ARG A 107 -8.630 -2.976 -9.430 1.00 50.43 N ATOM 1779 NH2 ARG A 107 -7.009 -4.572 -9.204 1.00 12.33 N ATOM 0 H ARG A 107 -4.004 1.221 -6.485 1.00 11.03 H new ATOM 0 HA ARG A 107 -6.439 1.528 -8.175 1.00 44.30 H new ATOM 0 HB2 ARG A 107 -6.281 0.987 -5.183 1.00 13.53 H new ATOM 0 HB3 ARG A 107 -7.737 1.102 -6.152 1.00 13.53 H new ATOM 0 HG2 ARG A 107 -5.619 -1.085 -6.288 1.00 30.20 H new ATOM 0 HG3 ARG A 107 -7.260 -1.244 -5.694 1.00 30.20 H new ATOM 0 HD2 ARG A 107 -8.196 -1.028 -7.910 1.00 51.42 H new ATOM 0 HD3 ARG A 107 -6.681 -0.455 -8.579 1.00 51.42 H new ATOM 0 HE ARG A 107 -5.850 -2.874 -7.821 1.00 31.24 H new ATOM 0 HH11 ARG A 107 -8.975 -2.033 -9.249 1.00 50.43 H new ATOM 0 HH12 ARG A 107 -9.181 -3.621 -9.997 1.00 50.43 H new ATOM 0 HH21 ARG A 107 -6.100 -4.867 -8.848 1.00 12.33 H new ATOM 0 HH22 ARG A 107 -7.566 -5.211 -9.772 1.00 12.33 H new ATOM 1793 N VAL A 108 -6.276 4.017 -7.736 1.00 52.44 N ATOM 1794 CA VAL A 108 -6.510 5.438 -7.441 1.00 32.32 C ATOM 1795 C VAL A 108 -8.021 5.672 -7.333 1.00 42.44 C ATOM 1796 O VAL A 108 -8.814 5.140 -8.126 1.00 72.40 O ATOM 1797 CB VAL A 108 -5.865 6.416 -8.507 1.00 64.32 C ATOM 1798 CG1 VAL A 108 -4.318 6.391 -8.418 1.00 63.22 C ATOM 1799 CG2 VAL A 108 -6.347 6.105 -9.950 1.00 34.34 C ATOM 0 H VAL A 108 -6.404 3.775 -8.719 1.00 52.44 H new ATOM 0 HA VAL A 108 -6.017 5.669 -6.497 1.00 32.32 H new ATOM 0 HB VAL A 108 -6.204 7.424 -8.267 1.00 64.32 H new ATOM 0 HG11 VAL A 108 -3.900 7.071 -9.160 1.00 63.22 H new ATOM 0 HG12 VAL A 108 -4.006 6.705 -7.422 1.00 63.22 H new ATOM 0 HG13 VAL A 108 -3.959 5.380 -8.609 1.00 63.22 H new ATOM 0 HG21 VAL A 108 -5.879 6.800 -10.648 1.00 34.34 H new ATOM 0 HG22 VAL A 108 -6.070 5.084 -10.214 1.00 34.34 H new ATOM 0 HG23 VAL A 108 -7.430 6.212 -10.003 1.00 34.34 H new ATOM 1809 N THR A 109 -8.408 6.422 -6.309 1.00 13.54 N ATOM 1810 CA THR A 109 -9.808 6.767 -6.034 1.00 1.00 C ATOM 1811 C THR A 109 -10.068 8.245 -6.366 1.00 62.45 C ATOM 1812 O THR A 109 -11.220 8.678 -6.441 1.00 31.33 O ATOM 1813 CB THR A 109 -10.104 6.488 -4.535 1.00 20.42 C ATOM 1814 OG1 THR A 109 -9.166 7.225 -3.733 1.00 14.33 O ATOM 1815 CG2 THR A 109 -9.988 4.990 -4.203 1.00 22.43 C ATOM 0 H THR A 109 -7.753 6.816 -5.633 1.00 13.54 H new ATOM 0 HA THR A 109 -10.466 6.161 -6.656 1.00 1.00 H new ATOM 0 HB THR A 109 -11.126 6.801 -4.322 1.00 20.42 H new ATOM 0 HG1 THR A 109 -9.639 7.925 -3.236 1.00 14.33 H new ATOM 0 HG21 THR A 109 -10.202 4.834 -3.146 1.00 22.43 H new ATOM 0 HG22 THR A 109 -10.702 4.428 -4.805 1.00 22.43 H new ATOM 0 HG23 THR A 109 -8.978 4.646 -4.423 1.00 22.43 H new ATOM 1823 N ASP A 110 -8.959 9.004 -6.536 1.00 14.31 N ATOM 1824 CA ASP A 110 -8.955 10.460 -6.800 1.00 62.41 C ATOM 1825 C ASP A 110 -9.591 11.268 -5.631 1.00 54.10 C ATOM 1826 O ASP A 110 -9.856 12.466 -5.761 1.00 15.52 O ATOM 1827 CB ASP A 110 -9.597 10.799 -8.193 1.00 32.21 C ATOM 1828 CG ASP A 110 -9.248 12.209 -8.731 1.00 51.13 C ATOM 1829 OD1 ASP A 110 -8.041 12.563 -8.773 1.00 54.41 O ATOM 1830 OD2 ASP A 110 -10.165 12.954 -9.147 1.00 11.51 O ATOM 0 H ASP A 110 -8.020 8.609 -6.492 1.00 14.31 H new ATOM 0 HA ASP A 110 -7.913 10.777 -6.854 1.00 62.41 H new ATOM 0 HB2 ASP A 110 -9.272 10.055 -8.920 1.00 32.21 H new ATOM 0 HB3 ASP A 110 -10.680 10.712 -8.111 1.00 32.21 H new ATOM 1835 N ASN A 111 -9.741 10.618 -4.457 1.00 73.04 N ATOM 1836 CA ASN A 111 -10.379 11.222 -3.280 1.00 22.55 C ATOM 1837 C ASN A 111 -10.111 10.318 -2.079 1.00 73.54 C ATOM 1838 O ASN A 111 -10.398 9.117 -2.139 1.00 21.31 O ATOM 1839 CB ASN A 111 -11.914 11.381 -3.514 1.00 2.43 C ATOM 1840 CG ASN A 111 -12.624 12.445 -2.656 1.00 21.43 C ATOM 1841 OD1 ASN A 111 -13.620 13.024 -3.093 1.00 25.42 O ATOM 1842 ND2 ASN A 111 -12.145 12.730 -1.452 1.00 21.44 N ATOM 0 H ASN A 111 -9.422 9.661 -4.304 1.00 73.04 H new ATOM 0 HA ASN A 111 -9.968 12.215 -3.099 1.00 22.55 H new ATOM 0 HB2 ASN A 111 -12.078 11.622 -4.564 1.00 2.43 H new ATOM 0 HB3 ASN A 111 -12.391 10.418 -3.330 1.00 2.43 H new ATOM 0 HD21 ASN A 111 -12.602 13.436 -0.875 1.00 21.44 H new ATOM 0 HD22 ASN A 111 -11.320 12.243 -1.103 1.00 21.44 H new ATOM 1849 N GLU A 112 -9.584 10.905 -1.000 1.00 62.43 N ATOM 1850 CA GLU A 112 -9.282 10.194 0.263 1.00 61.25 C ATOM 1851 C GLU A 112 -10.548 9.609 0.932 1.00 4.50 C ATOM 1852 O GLU A 112 -10.437 8.664 1.710 1.00 35.34 O ATOM 1853 CB GLU A 112 -8.542 11.108 1.272 1.00 32.53 C ATOM 1854 CG GLU A 112 -9.222 12.465 1.557 1.00 43.44 C ATOM 1855 CD GLU A 112 -8.817 13.573 0.568 1.00 11.44 C ATOM 1856 OE1 GLU A 112 -7.726 14.165 0.737 1.00 1.00 O ATOM 1857 OE2 GLU A 112 -9.574 13.831 -0.393 1.00 43.02 O ATOM 0 H GLU A 112 -9.350 11.897 -0.971 1.00 62.43 H new ATOM 0 HA GLU A 112 -8.630 9.366 -0.013 1.00 61.25 H new ATOM 0 HB2 GLU A 112 -8.435 10.569 2.214 1.00 32.53 H new ATOM 0 HB3 GLU A 112 -7.536 11.296 0.896 1.00 32.53 H new ATOM 0 HG2 GLU A 112 -10.304 12.335 1.522 1.00 43.44 H new ATOM 0 HG3 GLU A 112 -8.972 12.783 2.569 1.00 43.44 H new ATOM 1864 N ASP A 113 -11.735 10.195 0.639 1.00 4.44 N ATOM 1865 CA ASP A 113 -13.030 9.680 1.127 1.00 71.11 C ATOM 1866 C ASP A 113 -13.313 8.301 0.507 1.00 30.44 C ATOM 1867 O ASP A 113 -13.554 7.324 1.215 1.00 71.52 O ATOM 1868 CB ASP A 113 -14.175 10.678 0.796 1.00 73.35 C ATOM 1869 CG ASP A 113 -15.500 10.292 1.480 1.00 72.13 C ATOM 1870 OD1 ASP A 113 -16.281 9.502 0.914 1.00 3.31 O ATOM 1871 OD2 ASP A 113 -15.747 10.763 2.614 1.00 32.14 O ATOM 0 H ASP A 113 -11.817 11.032 0.062 1.00 4.44 H new ATOM 0 HA ASP A 113 -12.980 9.572 2.210 1.00 71.11 H new ATOM 0 HB2 ASP A 113 -13.884 11.680 1.112 1.00 73.35 H new ATOM 0 HB3 ASP A 113 -14.322 10.714 -0.283 1.00 73.35 H new ATOM 1876 N GLU A 114 -13.224 8.244 -0.829 1.00 23.31 N ATOM 1877 CA GLU A 114 -13.397 7.004 -1.603 1.00 25.32 C ATOM 1878 C GLU A 114 -12.271 5.991 -1.313 1.00 30.23 C ATOM 1879 O GLU A 114 -12.500 4.786 -1.423 1.00 53.30 O ATOM 1880 CB GLU A 114 -13.487 7.309 -3.131 1.00 21.23 C ATOM 1881 CG GLU A 114 -14.889 7.723 -3.636 1.00 15.11 C ATOM 1882 CD GLU A 114 -15.522 8.908 -2.887 1.00 10.32 C ATOM 1883 OE1 GLU A 114 -14.846 9.943 -2.723 1.00 34.35 O ATOM 1884 OE2 GLU A 114 -16.709 8.824 -2.497 1.00 34.20 O ATOM 0 H GLU A 114 -13.029 9.061 -1.408 1.00 23.31 H new ATOM 0 HA GLU A 114 -14.337 6.551 -1.288 1.00 25.32 H new ATOM 0 HB2 GLU A 114 -12.782 8.106 -3.369 1.00 21.23 H new ATOM 0 HB3 GLU A 114 -13.166 6.425 -3.682 1.00 21.23 H new ATOM 0 HG2 GLU A 114 -14.818 7.976 -4.694 1.00 15.11 H new ATOM 0 HG3 GLU A 114 -15.556 6.864 -3.558 1.00 15.11 H new ATOM 1891 N ALA A 115 -11.058 6.486 -0.963 1.00 44.42 N ATOM 1892 CA ALA A 115 -9.928 5.615 -0.574 1.00 25.42 C ATOM 1893 C ALA A 115 -10.252 4.903 0.742 1.00 73.33 C ATOM 1894 O ALA A 115 -10.153 3.689 0.831 1.00 42.20 O ATOM 1895 CB ALA A 115 -8.628 6.429 -0.465 1.00 22.43 C ATOM 0 H ALA A 115 -10.840 7.482 -0.943 1.00 44.42 H new ATOM 0 HA ALA A 115 -9.777 4.860 -1.345 1.00 25.42 H new ATOM 0 HB1 ALA A 115 -7.809 5.770 -0.178 1.00 22.43 H new ATOM 0 HB2 ALA A 115 -8.404 6.888 -1.428 1.00 22.43 H new ATOM 0 HB3 ALA A 115 -8.748 7.208 0.288 1.00 22.43 H new ATOM 1901 N LYS A 116 -10.717 5.708 1.705 1.00 33.35 N ATOM 1902 CA LYS A 116 -11.191 5.282 3.042 1.00 42.44 C ATOM 1903 C LYS A 116 -12.254 4.165 2.959 1.00 25.31 C ATOM 1904 O LYS A 116 -12.206 3.185 3.712 1.00 4.51 O ATOM 1905 CB LYS A 116 -11.741 6.560 3.734 1.00 32.25 C ATOM 1906 CG LYS A 116 -12.474 6.383 5.066 1.00 50.42 C ATOM 1907 CD LYS A 116 -12.901 7.754 5.650 1.00 30.11 C ATOM 1908 CE LYS A 116 -13.739 7.637 6.925 1.00 12.33 C ATOM 1909 NZ LYS A 116 -15.003 6.898 6.688 1.00 31.32 N ATOM 0 H LYS A 116 -10.779 6.718 1.576 1.00 33.35 H new ATOM 0 HA LYS A 116 -10.376 4.846 3.619 1.00 42.44 H new ATOM 0 HB2 LYS A 116 -10.905 7.240 3.898 1.00 32.25 H new ATOM 0 HB3 LYS A 116 -12.421 7.053 3.039 1.00 32.25 H new ATOM 0 HG2 LYS A 116 -13.353 5.755 4.921 1.00 50.42 H new ATOM 0 HG3 LYS A 116 -11.827 5.867 5.775 1.00 50.42 H new ATOM 0 HD2 LYS A 116 -12.009 8.343 5.863 1.00 30.11 H new ATOM 0 HD3 LYS A 116 -13.471 8.299 4.898 1.00 30.11 H new ATOM 0 HE2 LYS A 116 -13.160 7.128 7.695 1.00 12.33 H new ATOM 0 HE3 LYS A 116 -13.966 8.634 7.303 1.00 12.33 H new ATOM 0 HZ1 LYS A 116 -15.624 6.999 7.516 1.00 31.32 H new ATOM 0 HZ2 LYS A 116 -15.479 7.285 5.849 1.00 31.32 H new ATOM 0 HZ3 LYS A 116 -14.793 5.891 6.533 1.00 31.32 H new ATOM 1923 N LYS A 117 -13.183 4.316 1.999 1.00 74.43 N ATOM 1924 CA LYS A 117 -14.250 3.334 1.737 1.00 2.51 C ATOM 1925 C LYS A 117 -13.678 2.060 1.072 1.00 51.23 C ATOM 1926 O LYS A 117 -13.992 0.934 1.482 1.00 33.43 O ATOM 1927 CB LYS A 117 -15.324 3.962 0.813 1.00 64.21 C ATOM 1928 CG LYS A 117 -15.968 5.262 1.342 1.00 3.11 C ATOM 1929 CD LYS A 117 -16.874 5.954 0.288 1.00 53.11 C ATOM 1930 CE LYS A 117 -18.177 5.187 -0.013 1.00 44.12 C ATOM 1931 NZ LYS A 117 -19.114 5.181 1.146 1.00 53.33 N ATOM 0 H LYS A 117 -13.215 5.126 1.380 1.00 74.43 H new ATOM 0 HA LYS A 117 -14.700 3.055 2.690 1.00 2.51 H new ATOM 0 HB2 LYS A 117 -14.870 4.169 -0.156 1.00 64.21 H new ATOM 0 HB3 LYS A 117 -16.112 3.227 0.646 1.00 64.21 H new ATOM 0 HG2 LYS A 117 -16.558 5.035 2.230 1.00 3.11 H new ATOM 0 HG3 LYS A 117 -15.183 5.953 1.650 1.00 3.11 H new ATOM 0 HD2 LYS A 117 -17.126 6.955 0.640 1.00 53.11 H new ATOM 0 HD3 LYS A 117 -16.312 6.074 -0.638 1.00 53.11 H new ATOM 0 HE2 LYS A 117 -18.671 5.639 -0.873 1.00 44.12 H new ATOM 0 HE3 LYS A 117 -17.936 4.160 -0.287 1.00 44.12 H new ATOM 0 HZ1 LYS A 117 -19.988 4.683 0.883 1.00 53.33 H new ATOM 0 HZ2 LYS A 117 -18.668 4.696 1.951 1.00 53.33 H new ATOM 0 HZ3 LYS A 117 -19.341 6.160 1.414 1.00 53.33 H new ATOM 1945 N ARG A 118 -12.822 2.266 0.045 1.00 41.02 N ATOM 1946 CA ARG A 118 -12.279 1.182 -0.805 1.00 12.25 C ATOM 1947 C ARG A 118 -11.279 0.305 -0.029 1.00 51.23 C ATOM 1948 O ARG A 118 -11.093 -0.864 -0.366 1.00 11.22 O ATOM 1949 CB ARG A 118 -11.649 1.760 -2.105 1.00 51.11 C ATOM 1950 CG ARG A 118 -11.129 0.701 -3.121 1.00 15.41 C ATOM 1951 CD ARG A 118 -10.831 1.298 -4.510 1.00 64.44 C ATOM 1952 NE ARG A 118 -12.060 1.818 -5.146 1.00 74.32 N ATOM 1953 CZ ARG A 118 -12.116 2.647 -6.206 1.00 61.04 C ATOM 1954 NH1 ARG A 118 -11.016 3.087 -6.811 1.00 63.13 N ATOM 1955 NH2 ARG A 118 -13.297 3.053 -6.637 1.00 12.42 N ATOM 0 H ARG A 118 -12.487 3.193 -0.218 1.00 41.02 H new ATOM 0 HA ARG A 118 -13.108 0.538 -1.097 1.00 12.25 H new ATOM 0 HB2 ARG A 118 -12.392 2.383 -2.603 1.00 51.11 H new ATOM 0 HB3 ARG A 118 -10.820 2.412 -1.829 1.00 51.11 H new ATOM 0 HG2 ARG A 118 -10.223 0.241 -2.727 1.00 15.41 H new ATOM 0 HG3 ARG A 118 -11.870 -0.092 -3.223 1.00 15.41 H new ATOM 0 HD2 ARG A 118 -10.101 2.102 -4.414 1.00 64.44 H new ATOM 0 HD3 ARG A 118 -10.384 0.535 -5.148 1.00 64.44 H new ATOM 0 HE ARG A 118 -12.949 1.521 -4.744 1.00 74.32 H new ATOM 0 HH11 ARG A 118 -10.098 2.797 -6.474 1.00 63.13 H new ATOM 0 HH12 ARG A 118 -11.091 3.714 -7.612 1.00 63.13 H new ATOM 0 HH21 ARG A 118 -14.147 2.739 -6.168 1.00 12.42 H new ATOM 0 HH22 ARG A 118 -13.359 3.681 -7.438 1.00 12.42 H new ATOM 1969 N LEU A 119 -10.644 0.881 1.013 1.00 34.31 N ATOM 1970 CA LEU A 119 -9.752 0.136 1.927 1.00 35.44 C ATOM 1971 C LEU A 119 -10.507 -1.017 2.586 1.00 73.41 C ATOM 1972 O LEU A 119 -10.094 -2.176 2.492 1.00 21.32 O ATOM 1973 CB LEU A 119 -9.169 1.072 3.021 1.00 53.33 C ATOM 1974 CG LEU A 119 -8.109 2.094 2.535 1.00 15.34 C ATOM 1975 CD1 LEU A 119 -7.589 2.950 3.692 1.00 33.42 C ATOM 1976 CD2 LEU A 119 -6.962 1.382 1.811 1.00 61.04 C ATOM 0 H LEU A 119 -10.734 1.870 1.244 1.00 34.31 H new ATOM 0 HA LEU A 119 -8.928 -0.265 1.337 1.00 35.44 H new ATOM 0 HB2 LEU A 119 -9.992 1.620 3.481 1.00 53.33 H new ATOM 0 HB3 LEU A 119 -8.722 0.455 3.801 1.00 53.33 H new ATOM 0 HG LEU A 119 -8.591 2.766 1.825 1.00 15.34 H new ATOM 0 HD11 LEU A 119 -6.848 3.656 3.318 1.00 33.42 H new ATOM 0 HD12 LEU A 119 -8.418 3.498 4.140 1.00 33.42 H new ATOM 0 HD13 LEU A 119 -7.131 2.307 4.443 1.00 33.42 H new ATOM 0 HD21 LEU A 119 -6.230 2.117 1.478 1.00 61.04 H new ATOM 0 HD22 LEU A 119 -6.485 0.676 2.491 1.00 61.04 H new ATOM 0 HD23 LEU A 119 -7.355 0.845 0.948 1.00 61.04 H new ATOM 1988 N LYS A 120 -11.650 -0.668 3.200 1.00 4.40 N ATOM 1989 CA LYS A 120 -12.518 -1.630 3.877 1.00 32.20 C ATOM 1990 C LYS A 120 -13.080 -2.665 2.873 1.00 10.12 C ATOM 1991 O LYS A 120 -13.151 -3.859 3.179 1.00 61.05 O ATOM 1992 CB LYS A 120 -13.664 -0.882 4.612 1.00 10.23 C ATOM 1993 CG LYS A 120 -14.488 -1.801 5.519 1.00 73.22 C ATOM 1994 CD LYS A 120 -15.604 -1.094 6.305 1.00 54.14 C ATOM 1995 CE LYS A 120 -16.291 -2.067 7.278 1.00 32.44 C ATOM 1996 NZ LYS A 120 -16.779 -3.287 6.586 1.00 2.31 N ATOM 0 H LYS A 120 -11.993 0.292 3.238 1.00 4.40 H new ATOM 0 HA LYS A 120 -11.931 -2.175 4.616 1.00 32.20 H new ATOM 0 HB2 LYS A 120 -13.240 -0.075 5.209 1.00 10.23 H new ATOM 0 HB3 LYS A 120 -14.322 -0.421 3.875 1.00 10.23 H new ATOM 0 HG2 LYS A 120 -14.933 -2.587 4.909 1.00 73.22 H new ATOM 0 HG3 LYS A 120 -13.817 -2.288 6.226 1.00 73.22 H new ATOM 0 HD2 LYS A 120 -15.187 -0.253 6.859 1.00 54.14 H new ATOM 0 HD3 LYS A 120 -16.340 -0.686 5.612 1.00 54.14 H new ATOM 0 HE2 LYS A 120 -15.590 -2.350 8.064 1.00 32.44 H new ATOM 0 HE3 LYS A 120 -17.128 -1.565 7.763 1.00 32.44 H new ATOM 0 HZ1 LYS A 120 -17.701 -3.564 6.980 1.00 2.31 H new ATOM 0 HZ2 LYS A 120 -16.881 -3.092 5.570 1.00 2.31 H new ATOM 0 HZ3 LYS A 120 -16.097 -4.060 6.723 1.00 2.31 H new ATOM 2010 N GLU A 121 -13.399 -2.177 1.657 1.00 62.32 N ATOM 2011 CA GLU A 121 -13.907 -2.997 0.533 1.00 25.45 C ATOM 2012 C GLU A 121 -12.896 -4.109 0.153 1.00 71.24 C ATOM 2013 O GLU A 121 -13.271 -5.270 -0.047 1.00 3.45 O ATOM 2014 CB GLU A 121 -14.159 -2.070 -0.690 1.00 13.25 C ATOM 2015 CG GLU A 121 -14.889 -2.720 -1.884 1.00 0.12 C ATOM 2016 CD GLU A 121 -16.366 -3.037 -1.588 1.00 25.00 C ATOM 2017 OE1 GLU A 121 -17.177 -2.085 -1.494 1.00 31.03 O ATOM 2018 OE2 GLU A 121 -16.726 -4.225 -1.464 1.00 53.30 O ATOM 0 H GLU A 121 -13.310 -1.188 1.423 1.00 62.32 H new ATOM 0 HA GLU A 121 -14.836 -3.479 0.837 1.00 25.45 H new ATOM 0 HB2 GLU A 121 -14.740 -1.210 -0.357 1.00 13.25 H new ATOM 0 HB3 GLU A 121 -13.199 -1.690 -1.038 1.00 13.25 H new ATOM 0 HG2 GLU A 121 -14.832 -2.053 -2.744 1.00 0.12 H new ATOM 0 HG3 GLU A 121 -14.374 -3.640 -2.160 1.00 0.12 H new ATOM 2025 N LEU A 122 -11.602 -3.723 0.088 1.00 13.42 N ATOM 2026 CA LEU A 122 -10.503 -4.626 -0.290 1.00 44.01 C ATOM 2027 C LEU A 122 -10.137 -5.569 0.873 1.00 72.14 C ATOM 2028 O LEU A 122 -9.703 -6.676 0.628 1.00 1.42 O ATOM 2029 CB LEU A 122 -9.260 -3.822 -0.780 1.00 22.23 C ATOM 2030 CG LEU A 122 -9.461 -3.002 -2.103 1.00 2.31 C ATOM 2031 CD1 LEU A 122 -8.180 -2.236 -2.496 1.00 52.25 C ATOM 2032 CD2 LEU A 122 -9.945 -3.903 -3.264 1.00 32.11 C ATOM 0 H LEU A 122 -11.295 -2.773 0.298 1.00 13.42 H new ATOM 0 HA LEU A 122 -10.846 -5.243 -1.121 1.00 44.01 H new ATOM 0 HB2 LEU A 122 -8.960 -3.134 0.011 1.00 22.23 H new ATOM 0 HB3 LEU A 122 -8.434 -4.518 -0.927 1.00 22.23 H new ATOM 0 HG LEU A 122 -10.241 -2.266 -1.907 1.00 2.31 H new ATOM 0 HD11 LEU A 122 -8.357 -1.680 -3.417 1.00 52.25 H new ATOM 0 HD12 LEU A 122 -7.912 -1.543 -1.699 1.00 52.25 H new ATOM 0 HD13 LEU A 122 -7.366 -2.944 -2.650 1.00 52.25 H new ATOM 0 HD21 LEU A 122 -10.073 -3.300 -4.163 1.00 32.11 H new ATOM 0 HD22 LEU A 122 -9.207 -4.683 -3.452 1.00 32.11 H new ATOM 0 HD23 LEU A 122 -10.897 -4.362 -2.996 1.00 32.11 H new ATOM 2044 N LEU A 123 -10.328 -5.129 2.135 1.00 23.25 N ATOM 2045 CA LEU A 123 -10.114 -5.996 3.332 1.00 4.12 C ATOM 2046 C LEU A 123 -11.093 -7.188 3.326 1.00 2.34 C ATOM 2047 O LEU A 123 -10.706 -8.337 3.579 1.00 54.12 O ATOM 2048 CB LEU A 123 -10.250 -5.182 4.665 1.00 43.10 C ATOM 2049 CG LEU A 123 -8.910 -4.716 5.324 1.00 63.35 C ATOM 2050 CD1 LEU A 123 -8.123 -3.725 4.432 1.00 61.13 C ATOM 2051 CD2 LEU A 123 -9.176 -4.137 6.723 1.00 2.25 C ATOM 0 H LEU A 123 -10.630 -4.181 2.360 1.00 23.25 H new ATOM 0 HA LEU A 123 -9.096 -6.381 3.279 1.00 4.12 H new ATOM 0 HB2 LEU A 123 -10.861 -4.301 4.469 1.00 43.10 H new ATOM 0 HB3 LEU A 123 -10.793 -5.792 5.386 1.00 43.10 H new ATOM 0 HG LEU A 123 -8.273 -5.594 5.431 1.00 63.35 H new ATOM 0 HD11 LEU A 123 -7.202 -3.434 4.937 1.00 61.13 H new ATOM 0 HD12 LEU A 123 -7.881 -4.203 3.483 1.00 61.13 H new ATOM 0 HD13 LEU A 123 -8.731 -2.840 4.248 1.00 61.13 H new ATOM 0 HD21 LEU A 123 -8.234 -3.817 7.169 1.00 2.25 H new ATOM 0 HD22 LEU A 123 -9.848 -3.283 6.641 1.00 2.25 H new ATOM 0 HD23 LEU A 123 -9.634 -4.900 7.352 1.00 2.25 H new ATOM 2063 N GLU A 124 -12.353 -6.873 3.004 1.00 23.21 N ATOM 2064 CA GLU A 124 -13.449 -7.850 2.892 1.00 32.31 C ATOM 2065 C GLU A 124 -13.260 -8.768 1.659 1.00 12.11 C ATOM 2066 O GLU A 124 -13.787 -9.883 1.620 1.00 74.35 O ATOM 2067 CB GLU A 124 -14.802 -7.084 2.849 1.00 73.33 C ATOM 2068 CG GLU A 124 -15.087 -6.261 4.130 1.00 15.41 C ATOM 2069 CD GLU A 124 -16.343 -5.377 4.033 1.00 62.34 C ATOM 2070 OE1 GLU A 124 -17.464 -5.887 4.243 1.00 21.33 O ATOM 2071 OE2 GLU A 124 -16.221 -4.167 3.751 1.00 5.21 O ATOM 0 H GLU A 124 -12.648 -5.916 2.810 1.00 23.21 H new ATOM 0 HA GLU A 124 -13.445 -8.506 3.763 1.00 32.31 H new ATOM 0 HB2 GLU A 124 -14.804 -6.415 1.989 1.00 73.33 H new ATOM 0 HB3 GLU A 124 -15.611 -7.799 2.699 1.00 73.33 H new ATOM 0 HG2 GLU A 124 -15.199 -6.944 4.972 1.00 15.41 H new ATOM 0 HG3 GLU A 124 -14.225 -5.629 4.344 1.00 15.41 H new ATOM 2078 N LYS A 125 -12.502 -8.280 0.652 1.00 74.34 N ATOM 2079 CA LYS A 125 -12.190 -9.033 -0.589 1.00 42.00 C ATOM 2080 C LYS A 125 -10.699 -9.440 -0.667 1.00 4.23 C ATOM 2081 O LYS A 125 -10.195 -9.751 -1.752 1.00 70.31 O ATOM 2082 CB LYS A 125 -12.622 -8.180 -1.814 1.00 22.13 C ATOM 2083 CG LYS A 125 -14.158 -8.022 -1.926 1.00 15.21 C ATOM 2084 CD LYS A 125 -14.606 -7.003 -2.998 1.00 63.21 C ATOM 2085 CE LYS A 125 -16.142 -6.967 -3.155 1.00 12.15 C ATOM 2086 NZ LYS A 125 -16.594 -5.809 -3.968 1.00 14.22 N ATOM 0 H LYS A 125 -12.086 -7.349 0.675 1.00 74.34 H new ATOM 0 HA LYS A 125 -12.750 -9.968 -0.586 1.00 42.00 H new ATOM 0 HB2 LYS A 125 -12.164 -7.193 -1.743 1.00 22.13 H new ATOM 0 HB3 LYS A 125 -12.242 -8.643 -2.725 1.00 22.13 H new ATOM 0 HG2 LYS A 125 -14.598 -8.993 -2.155 1.00 15.21 H new ATOM 0 HG3 LYS A 125 -14.553 -7.714 -0.958 1.00 15.21 H new ATOM 0 HD2 LYS A 125 -14.246 -6.010 -2.728 1.00 63.21 H new ATOM 0 HD3 LYS A 125 -14.150 -7.258 -3.954 1.00 63.21 H new ATOM 0 HE2 LYS A 125 -16.480 -7.892 -3.623 1.00 12.15 H new ATOM 0 HE3 LYS A 125 -16.606 -6.921 -2.170 1.00 12.15 H new ATOM 0 HZ1 LYS A 125 -17.480 -6.052 -4.456 1.00 14.22 H new ATOM 0 HZ2 LYS A 125 -16.754 -4.990 -3.347 1.00 14.22 H new ATOM 0 HZ3 LYS A 125 -15.865 -5.573 -4.671 1.00 14.22 H new ATOM 2100 N VAL A 126 -10.000 -9.409 0.503 1.00 24.42 N ATOM 2101 CA VAL A 126 -8.597 -9.919 0.695 1.00 11.54 C ATOM 2102 C VAL A 126 -7.521 -9.088 -0.089 1.00 61.12 C ATOM 2103 O VAL A 126 -6.313 -9.329 0.031 1.00 55.41 O ATOM 2104 CB VAL A 126 -8.492 -11.480 0.380 1.00 22.25 C ATOM 2105 CG1 VAL A 126 -7.129 -12.088 0.798 1.00 0.21 C ATOM 2106 CG2 VAL A 126 -9.656 -12.270 1.041 1.00 31.23 C ATOM 0 H VAL A 126 -10.397 -9.023 1.359 1.00 24.42 H new ATOM 0 HA VAL A 126 -8.366 -9.778 1.751 1.00 11.54 H new ATOM 0 HB VAL A 126 -8.571 -11.574 -0.703 1.00 22.25 H new ATOM 0 HG11 VAL A 126 -7.116 -13.151 0.559 1.00 0.21 H new ATOM 0 HG12 VAL A 126 -6.326 -11.586 0.259 1.00 0.21 H new ATOM 0 HG13 VAL A 126 -6.985 -11.955 1.870 1.00 0.21 H new ATOM 0 HG21 VAL A 126 -9.555 -13.330 0.807 1.00 31.23 H new ATOM 0 HG22 VAL A 126 -9.622 -12.132 2.122 1.00 31.23 H new ATOM 0 HG23 VAL A 126 -10.608 -11.903 0.658 1.00 31.23 H new ATOM 2116 N GLY A 127 -7.966 -8.067 -0.843 1.00 55.52 N ATOM 2117 CA GLY A 127 -7.079 -7.174 -1.592 1.00 74.45 C ATOM 2118 C GLY A 127 -7.186 -7.396 -3.093 1.00 2.21 C ATOM 2119 O GLY A 127 -6.170 -7.611 -3.765 1.00 61.51 O ATOM 0 H GLY A 127 -8.955 -7.842 -0.947 1.00 55.52 H new ATOM 0 HA2 GLY A 127 -7.326 -6.138 -1.360 1.00 74.45 H new ATOM 0 HA3 GLY A 127 -6.049 -7.335 -1.274 1.00 74.45 H new