USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 727 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 29 SER OG : rot 180:sc= -2.12! USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.657 USER MOD Set 2.1: A 56 ASN :FLIP amide:sc= -0.832 F(o=-8.1,f=-6.8) USER MOD Set 2.2: A 59 GLN : amide:sc= -5.99! C(o=-6.8!,f=-9.4!) USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= 0.867 F(o=0.19,f=3.8) USER MOD Set 3.2: A 79 ASN :FLIP amide:sc= 0.94 F(o=0.22!,f=3.8) USER MOD Set 3.3: A 96 THR OG1 : rot 133:sc= 1.96 USER MOD Single : A 1 GLU N :NH3+ -171:sc= -1.02 (180deg=-1.36) USER MOD Single : A 2 ASN : amide:sc= -0.085 K(o=-0.085,f=-2!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0616 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -3.07! C(o=-4.3!,f=-3.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.07 F(o=-2.3,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 27 THR OG1 : rot 70:sc= 1.15 USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= -0.185 (180deg=-1.75!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.144 F(o=-3.8!,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 49:sc= 1.19 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 111:sc= 0.12 USER MOD Single : A 49 SER OG : rot 180:sc=-0.00664 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc=-0.00653 (180deg=-0.137) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.598 K(o=-0.6,f=-4.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -2:sc= 1.09 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -120:sc= 0.965 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -17:sc= -1.97 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 93 THR OG1 : rot -164:sc= 0.0616 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0137) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 14.567 8.443 23.990 1.00 31.11 N ATOM 2 CA GLU A 1 15.551 9.142 23.172 1.00 53.13 C ATOM 3 C GLU A 1 16.163 8.203 22.136 1.00 55.42 C ATOM 4 O GLU A 1 17.333 8.334 21.779 1.00 33.33 O ATOM 5 CB GLU A 1 16.652 9.734 24.053 1.00 23.15 C ATOM 6 CG GLU A 1 16.125 10.578 25.202 1.00 62.22 C ATOM 7 CD GLU A 1 17.195 10.903 26.226 1.00 42.12 C ATOM 8 OE1 GLU A 1 18.344 10.447 26.048 1.00 62.04 O ATOM 9 OE2 GLU A 1 16.884 11.613 27.205 1.00 61.21 O ATOM 0 H1 GLU A 1 14.056 9.130 24.581 1.00 31.11 H new ATOM 0 H2 GLU A 1 13.892 7.947 23.373 1.00 31.11 H new ATOM 0 H3 GLU A 1 15.050 7.753 24.600 1.00 31.11 H new ATOM 0 HA GLU A 1 15.041 9.951 22.648 1.00 53.13 H new ATOM 0 HB2 GLU A 1 17.258 8.923 24.457 1.00 23.15 H new ATOM 0 HB3 GLU A 1 17.310 10.346 23.436 1.00 23.15 H new ATOM 0 HG2 GLU A 1 15.712 11.506 24.807 1.00 62.22 H new ATOM 0 HG3 GLU A 1 15.308 10.049 25.692 1.00 62.22 H new ATOM 16 N ASN A 2 15.361 7.257 21.657 1.00 25.13 N ATOM 17 CA ASN A 2 15.824 6.295 20.663 1.00 14.12 C ATOM 18 C ASN A 2 15.155 6.543 19.315 1.00 72.25 C ATOM 19 O ASN A 2 13.933 6.671 19.231 1.00 41.44 O ATOM 20 CB ASN A 2 15.537 4.867 21.133 1.00 51.33 C ATOM 21 CG ASN A 2 16.487 3.856 20.522 1.00 64.12 C ATOM 22 OD1 ASN A 2 17.456 4.221 19.855 1.00 12.42 O ATOM 23 ND2 ASN A 2 16.214 2.576 20.747 1.00 40.11 N ATOM 0 H ASN A 2 14.389 7.136 21.941 1.00 25.13 H new ATOM 0 HA ASN A 2 16.900 6.422 20.544 1.00 14.12 H new ATOM 0 HB2 ASN A 2 15.613 4.823 22.219 1.00 51.33 H new ATOM 0 HB3 ASN A 2 14.512 4.601 20.874 1.00 51.33 H new ATOM 0 HD21 ASN A 2 16.818 1.850 20.361 1.00 40.11 H new ATOM 0 HD22 ASN A 2 15.400 2.319 21.306 1.00 40.11 H new ATOM 30 N ILE A 3 15.964 6.608 18.262 1.00 33.14 N ATOM 31 CA ILE A 3 15.450 6.838 16.918 1.00 42.32 C ATOM 32 C ILE A 3 16.140 5.933 15.903 1.00 31.43 C ATOM 33 O ILE A 3 17.367 5.830 15.880 1.00 14.41 O ATOM 34 CB ILE A 3 15.635 8.306 16.488 1.00 21.33 C ATOM 35 CG1 ILE A 3 15.064 8.525 15.086 1.00 15.52 C ATOM 36 CG2 ILE A 3 17.107 8.689 16.532 1.00 12.04 C ATOM 37 CD1 ILE A 3 14.035 9.633 15.019 1.00 24.05 C ATOM 0 H ILE A 3 16.977 6.505 18.314 1.00 33.14 H new ATOM 0 HA ILE A 3 14.385 6.606 16.944 1.00 42.32 H new ATOM 0 HB ILE A 3 15.092 8.945 17.185 1.00 21.33 H new ATOM 0 HG12 ILE A 3 15.880 8.756 14.402 1.00 15.52 H new ATOM 0 HG13 ILE A 3 14.610 7.597 14.738 1.00 15.52 H new ATOM 0 HG21 ILE A 3 17.222 9.729 16.226 1.00 12.04 H new ATOM 0 HG22 ILE A 3 17.485 8.566 17.547 1.00 12.04 H new ATOM 0 HG23 ILE A 3 17.670 8.047 15.855 1.00 12.04 H new ATOM 0 HD11 ILE A 3 13.673 9.732 13.996 1.00 24.05 H new ATOM 0 HD12 ILE A 3 13.200 9.394 15.677 1.00 24.05 H new ATOM 0 HD13 ILE A 3 14.490 10.572 15.336 1.00 24.05 H new ATOM 49 N ASP A 4 15.344 5.279 15.065 1.00 75.40 N ATOM 50 CA ASP A 4 15.877 4.383 14.045 1.00 1.11 C ATOM 51 C ASP A 4 16.905 5.101 13.176 1.00 23.41 C ATOM 52 O ASP A 4 16.599 6.111 12.542 1.00 65.21 O ATOM 53 CB ASP A 4 14.746 3.837 13.173 1.00 54.43 C ATOM 54 CG ASP A 4 15.067 2.473 12.594 1.00 11.34 C ATOM 55 OD1 ASP A 4 15.240 1.521 13.383 1.00 64.11 O ATOM 56 OD2 ASP A 4 15.146 2.358 11.353 1.00 14.31 O ATOM 0 H ASP A 4 14.327 5.352 15.072 1.00 75.40 H new ATOM 0 HA ASP A 4 16.370 3.551 14.548 1.00 1.11 H new ATOM 0 HB2 ASP A 4 13.834 3.771 13.766 1.00 54.43 H new ATOM 0 HB3 ASP A 4 14.548 4.536 12.360 1.00 54.43 H new ATOM 61 N ILE A 5 18.124 4.573 13.153 1.00 64.40 N ATOM 62 CA ILE A 5 19.197 5.163 12.362 1.00 61.30 C ATOM 63 C ILE A 5 19.001 4.885 10.875 1.00 13.25 C ATOM 64 O ILE A 5 19.575 3.944 10.326 1.00 2.44 O ATOM 65 CB ILE A 5 20.575 4.628 12.795 1.00 41.52 C ATOM 66 CG1 ILE A 5 20.751 4.774 14.308 1.00 53.32 C ATOM 67 CG2 ILE A 5 21.684 5.361 12.054 1.00 12.44 C ATOM 68 CD1 ILE A 5 20.614 6.199 14.797 1.00 33.15 C ATOM 0 H ILE A 5 18.393 3.738 13.673 1.00 64.40 H new ATOM 0 HA ILE A 5 19.162 6.238 12.536 1.00 61.30 H new ATOM 0 HB ILE A 5 20.633 3.569 12.542 1.00 41.52 H new ATOM 0 HG12 ILE A 5 20.012 4.152 14.813 1.00 53.32 H new ATOM 0 HG13 ILE A 5 21.733 4.394 14.590 1.00 53.32 H new ATOM 0 HG21 ILE A 5 22.652 4.972 12.370 1.00 12.44 H new ATOM 0 HG22 ILE A 5 21.566 5.211 10.981 1.00 12.44 H new ATOM 0 HG23 ILE A 5 21.630 6.426 12.279 1.00 12.44 H new ATOM 0 HD11 ILE A 5 20.750 6.227 15.878 1.00 33.15 H new ATOM 0 HD12 ILE A 5 21.370 6.822 14.319 1.00 33.15 H new ATOM 0 HD13 ILE A 5 19.622 6.576 14.546 1.00 33.15 H new ATOM 80 N THR A 6 18.186 5.712 10.227 1.00 32.32 N ATOM 81 CA THR A 6 17.914 5.556 8.804 1.00 54.41 C ATOM 82 C THR A 6 18.521 6.700 8.000 1.00 41.31 C ATOM 83 O THR A 6 18.865 6.536 6.829 1.00 32.33 O ATOM 84 CB THR A 6 16.400 5.495 8.525 1.00 40.03 C ATOM 85 OG1 THR A 6 16.159 5.555 7.114 1.00 21.55 O ATOM 86 CG2 THR A 6 15.675 6.639 9.217 1.00 43.51 C ATOM 0 H THR A 6 17.703 6.496 10.665 1.00 32.32 H new ATOM 0 HA THR A 6 18.371 4.616 8.496 1.00 54.41 H new ATOM 0 HB THR A 6 16.018 4.553 8.919 1.00 40.03 H new ATOM 0 HG1 THR A 6 15.195 5.514 6.945 1.00 21.55 H new ATOM 0 HG21 THR A 6 14.608 6.574 9.005 1.00 43.51 H new ATOM 0 HG22 THR A 6 15.836 6.574 10.293 1.00 43.51 H new ATOM 0 HG23 THR A 6 16.061 7.590 8.849 1.00 43.51 H new ATOM 94 N VAL A 7 18.652 7.860 8.636 1.00 54.43 N ATOM 95 CA VAL A 7 19.220 9.032 7.980 1.00 71.13 C ATOM 96 C VAL A 7 18.394 9.436 6.764 1.00 72.44 C ATOM 97 O VAL A 7 18.766 9.152 5.625 1.00 23.12 O ATOM 98 CB VAL A 7 20.673 8.778 7.538 1.00 44.02 C ATOM 99 CG1 VAL A 7 21.304 10.059 7.013 1.00 75.03 C ATOM 100 CG2 VAL A 7 21.488 8.206 8.689 1.00 55.53 C ATOM 0 H VAL A 7 18.372 8.013 9.605 1.00 54.43 H new ATOM 0 HA VAL A 7 19.206 9.841 8.710 1.00 71.13 H new ATOM 0 HB VAL A 7 20.665 8.047 6.729 1.00 44.02 H new ATOM 0 HG11 VAL A 7 22.331 9.859 6.706 1.00 75.03 H new ATOM 0 HG12 VAL A 7 20.733 10.422 6.158 1.00 75.03 H new ATOM 0 HG13 VAL A 7 21.301 10.815 7.799 1.00 75.03 H new ATOM 0 HG21 VAL A 7 22.512 8.033 8.359 1.00 55.53 H new ATOM 0 HG22 VAL A 7 21.489 8.911 9.520 1.00 55.53 H new ATOM 0 HG23 VAL A 7 21.047 7.264 9.014 1.00 55.53 H new ATOM 110 N SER A 8 17.270 10.100 7.013 1.00 52.13 N ATOM 111 CA SER A 8 16.388 10.541 5.938 1.00 21.41 C ATOM 112 C SER A 8 16.435 12.058 5.784 1.00 30.24 C ATOM 113 O SER A 8 16.800 12.776 6.715 1.00 72.12 O ATOM 114 CB SER A 8 14.952 10.088 6.210 1.00 1.32 C ATOM 115 OG SER A 8 14.276 11.012 7.046 1.00 25.54 O ATOM 0 H SER A 8 16.948 10.345 7.950 1.00 52.13 H new ATOM 0 HA SER A 8 16.734 10.089 5.009 1.00 21.41 H new ATOM 0 HB2 SER A 8 14.415 9.985 5.267 1.00 1.32 H new ATOM 0 HB3 SER A 8 14.960 9.105 6.681 1.00 1.32 H new ATOM 0 HG SER A 8 13.360 10.701 7.204 1.00 25.54 H new ATOM 121 N ALA A 9 16.063 12.538 4.603 1.00 52.35 N ATOM 122 CA ALA A 9 16.060 13.969 4.326 1.00 1.52 C ATOM 123 C ALA A 9 14.919 14.668 5.058 1.00 74.43 C ATOM 124 O ALA A 9 13.746 14.417 4.780 1.00 1.42 O ATOM 125 CB ALA A 9 15.960 14.218 2.828 1.00 33.35 C ATOM 0 H ALA A 9 15.759 11.957 3.822 1.00 52.35 H new ATOM 0 HA ALA A 9 16.999 14.385 4.690 1.00 1.52 H new ATOM 0 HB1 ALA A 9 15.959 15.291 2.637 1.00 33.35 H new ATOM 0 HB2 ALA A 9 16.812 13.761 2.325 1.00 33.35 H new ATOM 0 HB3 ALA A 9 15.037 13.781 2.447 1.00 33.35 H new ATOM 131 N ALA A 10 15.270 15.543 5.994 1.00 54.44 N ATOM 132 CA ALA A 10 14.274 16.278 6.764 1.00 41.41 C ATOM 133 C ALA A 10 13.847 17.550 6.038 1.00 22.30 C ATOM 134 O ALA A 10 12.656 17.806 5.861 1.00 12.53 O ATOM 135 CB ALA A 10 14.818 16.614 8.145 1.00 53.12 C ATOM 0 H ALA A 10 16.236 15.760 6.238 1.00 54.44 H new ATOM 0 HA ALA A 10 13.396 15.642 6.876 1.00 41.41 H new ATOM 0 HB1 ALA A 10 14.064 17.163 8.709 1.00 53.12 H new ATOM 0 HB2 ALA A 10 15.067 15.693 8.672 1.00 53.12 H new ATOM 0 HB3 ALA A 10 15.713 17.227 8.044 1.00 53.12 H new ATOM 141 N THR A 11 14.827 18.344 5.619 1.00 5.11 N ATOM 142 CA THR A 11 14.553 19.590 4.914 1.00 22.20 C ATOM 143 C THR A 11 13.654 20.503 5.740 1.00 23.31 C ATOM 144 O THR A 11 12.817 21.225 5.196 1.00 24.43 O ATOM 145 CB THR A 11 13.886 19.328 3.551 1.00 50.45 C ATOM 146 OG1 THR A 11 14.138 17.982 3.132 1.00 51.41 O ATOM 147 CG2 THR A 11 14.405 20.297 2.499 1.00 5.42 C ATOM 0 H THR A 11 15.818 18.146 5.756 1.00 5.11 H new ATOM 0 HA THR A 11 15.513 20.080 4.753 1.00 22.20 H new ATOM 0 HB THR A 11 12.812 19.478 3.663 1.00 50.45 H new ATOM 0 HG1 THR A 11 13.709 17.823 2.265 1.00 51.41 H new ATOM 0 HG21 THR A 11 13.919 20.092 1.545 1.00 5.42 H new ATOM 0 HG22 THR A 11 14.185 21.319 2.806 1.00 5.42 H new ATOM 0 HG23 THR A 11 15.483 20.174 2.391 1.00 5.42 H new ATOM 155 N LEU A 12 13.832 20.467 7.056 1.00 5.30 N ATOM 156 CA LEU A 12 13.037 21.293 7.958 1.00 23.03 C ATOM 157 C LEU A 12 13.766 22.590 8.294 1.00 2.11 C ATOM 158 O LEU A 12 14.852 22.572 8.875 1.00 75.55 O ATOM 159 CB LEU A 12 12.724 20.523 9.243 1.00 51.54 C ATOM 160 CG LEU A 12 12.001 19.188 9.065 1.00 31.14 C ATOM 161 CD1 LEU A 12 12.028 18.390 10.360 1.00 13.41 C ATOM 162 CD2 LEU A 12 10.568 19.414 8.606 1.00 71.03 C ATOM 0 H LEU A 12 14.520 19.875 7.522 1.00 5.30 H new ATOM 0 HA LEU A 12 12.103 21.543 7.454 1.00 23.03 H new ATOM 0 HB2 LEU A 12 13.660 20.339 9.770 1.00 51.54 H new ATOM 0 HB3 LEU A 12 12.116 21.160 9.886 1.00 51.54 H new ATOM 0 HG LEU A 12 12.521 18.615 8.297 1.00 31.14 H new ATOM 0 HD11 LEU A 12 11.509 17.443 10.215 1.00 13.41 H new ATOM 0 HD12 LEU A 12 13.062 18.197 10.647 1.00 13.41 H new ATOM 0 HD13 LEU A 12 11.533 18.958 11.148 1.00 13.41 H new ATOM 0 HD21 LEU A 12 10.069 18.453 8.485 1.00 71.03 H new ATOM 0 HD22 LEU A 12 10.037 20.007 9.350 1.00 71.03 H new ATOM 0 HD23 LEU A 12 10.570 19.944 7.654 1.00 71.03 H new ATOM 174 N SER A 13 13.161 23.715 7.927 1.00 40.12 N ATOM 175 CA SER A 13 13.753 25.022 8.188 1.00 62.13 C ATOM 176 C SER A 13 12.931 25.796 9.213 1.00 12.04 C ATOM 177 O SER A 13 13.475 26.371 10.156 1.00 45.13 O ATOM 178 CB SER A 13 13.859 25.826 6.890 1.00 34.32 C ATOM 179 OG SER A 13 14.368 27.125 7.135 1.00 14.34 O ATOM 0 H SER A 13 12.261 23.748 7.448 1.00 40.12 H new ATOM 0 HA SER A 13 14.753 24.866 8.593 1.00 62.13 H new ATOM 0 HB2 SER A 13 14.509 25.304 6.187 1.00 34.32 H new ATOM 0 HB3 SER A 13 12.877 25.899 6.423 1.00 34.32 H new ATOM 0 HG SER A 13 14.428 27.618 6.290 1.00 14.34 H new ATOM 185 N SER A 14 11.615 25.806 9.022 1.00 25.44 N ATOM 186 CA SER A 14 10.717 26.512 9.928 1.00 73.20 C ATOM 187 C SER A 14 9.467 25.683 10.208 1.00 13.23 C ATOM 188 O SER A 14 9.004 24.928 9.352 1.00 5.33 O ATOM 189 CB SER A 14 10.322 27.866 9.336 1.00 44.14 C ATOM 190 OG SER A 14 10.860 28.932 10.098 1.00 3.52 O ATOM 0 H SER A 14 11.148 25.333 8.248 1.00 25.44 H new ATOM 0 HA SER A 14 11.243 26.674 10.869 1.00 73.20 H new ATOM 0 HB2 SER A 14 10.677 27.934 8.308 1.00 44.14 H new ATOM 0 HB3 SER A 14 9.236 27.950 9.304 1.00 44.14 H new ATOM 0 HG SER A 14 10.595 29.786 9.698 1.00 3.52 H new ATOM 196 N ILE A 15 8.925 25.830 11.413 1.00 42.12 N ATOM 197 CA ILE A 15 7.729 25.097 11.806 1.00 34.23 C ATOM 198 C ILE A 15 6.803 25.967 12.649 1.00 55.41 C ATOM 199 O ILE A 15 7.248 26.900 13.317 1.00 43.54 O ATOM 200 CB ILE A 15 8.083 23.826 12.600 1.00 30.35 C ATOM 201 CG1 ILE A 15 9.203 23.055 11.898 1.00 32.03 C ATOM 202 CG2 ILE A 15 6.853 22.947 12.770 1.00 71.45 C ATOM 203 CD1 ILE A 15 8.760 22.374 10.622 1.00 13.22 C ATOM 0 H ILE A 15 9.296 26.450 12.133 1.00 42.12 H new ATOM 0 HA ILE A 15 7.218 24.811 10.886 1.00 34.23 H new ATOM 0 HB ILE A 15 8.434 24.120 13.589 1.00 30.35 H new ATOM 0 HG12 ILE A 15 10.018 23.742 11.670 1.00 32.03 H new ATOM 0 HG13 ILE A 15 9.600 22.305 12.582 1.00 32.03 H new ATOM 0 HG21 ILE A 15 7.120 22.053 13.333 1.00 71.45 H new ATOM 0 HG22 ILE A 15 6.083 23.499 13.309 1.00 71.45 H new ATOM 0 HG23 ILE A 15 6.474 22.659 11.790 1.00 71.45 H new ATOM 0 HD11 ILE A 15 9.605 21.847 10.179 1.00 13.22 H new ATOM 0 HD12 ILE A 15 7.966 21.662 10.846 1.00 13.22 H new ATOM 0 HD13 ILE A 15 8.390 23.121 9.920 1.00 13.22 H new ATOM 215 N SER A 16 5.511 25.654 12.614 1.00 2.41 N ATOM 216 CA SER A 16 4.521 26.409 13.373 1.00 10.30 C ATOM 217 C SER A 16 3.655 25.477 14.214 1.00 31.24 C ATOM 218 O SER A 16 3.063 24.528 13.699 1.00 63.14 O ATOM 219 CB SER A 16 3.640 27.229 12.428 1.00 35.44 C ATOM 220 OG SER A 16 4.004 28.598 12.450 1.00 31.10 O ATOM 0 H SER A 16 5.126 24.883 12.068 1.00 2.41 H new ATOM 0 HA SER A 16 5.051 27.086 14.043 1.00 10.30 H new ATOM 0 HB2 SER A 16 3.731 26.842 11.413 1.00 35.44 H new ATOM 0 HB3 SER A 16 2.594 27.123 12.717 1.00 35.44 H new ATOM 0 HG SER A 16 3.427 29.100 11.837 1.00 31.10 H new ATOM 226 N ILE A 17 3.586 25.754 15.512 1.00 52.10 N ATOM 227 CA ILE A 17 2.792 24.942 16.425 1.00 32.51 C ATOM 228 C ILE A 17 1.799 25.799 17.203 1.00 44.21 C ATOM 229 O ILE A 17 2.113 26.920 17.604 1.00 72.00 O ATOM 230 CB ILE A 17 3.685 24.179 17.421 1.00 33.52 C ATOM 231 CG1 ILE A 17 4.914 23.612 16.707 1.00 32.25 C ATOM 232 CG2 ILE A 17 2.896 23.065 18.094 1.00 0.13 C ATOM 233 CD1 ILE A 17 6.112 24.535 16.742 1.00 74.13 C ATOM 0 H ILE A 17 4.071 26.535 15.955 1.00 52.10 H new ATOM 0 HA ILE A 17 2.246 24.223 15.814 1.00 32.51 H new ATOM 0 HB ILE A 17 4.023 24.874 18.190 1.00 33.52 H new ATOM 0 HG12 ILE A 17 5.184 22.661 17.166 1.00 32.25 H new ATOM 0 HG13 ILE A 17 4.657 23.403 15.669 1.00 32.25 H new ATOM 0 HG21 ILE A 17 3.541 22.535 18.795 1.00 0.13 H new ATOM 0 HG22 ILE A 17 2.049 23.492 18.631 1.00 0.13 H new ATOM 0 HG23 ILE A 17 2.532 22.369 17.338 1.00 0.13 H new ATOM 0 HD11 ILE A 17 6.946 24.069 16.217 1.00 74.13 H new ATOM 0 HD12 ILE A 17 5.859 25.478 16.257 1.00 74.13 H new ATOM 0 HD13 ILE A 17 6.395 24.724 17.777 1.00 74.13 H new ATOM 245 N SER A 18 0.601 25.264 17.414 1.00 22.21 N ATOM 246 CA SER A 18 -0.439 25.981 18.143 1.00 63.24 C ATOM 247 C SER A 18 -0.986 25.131 19.285 1.00 22.24 C ATOM 248 O SER A 18 -2.137 24.694 19.272 1.00 1.03 O ATOM 249 CB SER A 18 -1.574 26.375 17.196 1.00 13.34 C ATOM 250 OG SER A 18 -1.079 26.681 15.905 1.00 44.15 O ATOM 0 H SER A 18 0.326 24.336 17.091 1.00 22.21 H new ATOM 0 HA SER A 18 0.003 26.884 18.565 1.00 63.24 H new ATOM 0 HB2 SER A 18 -2.295 25.560 17.129 1.00 13.34 H new ATOM 0 HB3 SER A 18 -2.105 27.237 17.599 1.00 13.34 H new ATOM 0 HG SER A 18 -1.825 26.928 15.319 1.00 44.15 H new ATOM 256 N PRO A 19 -0.141 24.890 20.299 1.00 33.22 N ATOM 257 CA PRO A 19 -0.517 24.091 21.470 1.00 51.04 C ATOM 258 C PRO A 19 -1.533 24.804 22.356 1.00 63.31 C ATOM 259 O PRO A 19 -1.652 26.029 22.318 1.00 61.31 O ATOM 260 CB PRO A 19 0.808 23.908 22.214 1.00 14.44 C ATOM 261 CG PRO A 19 1.639 25.073 21.800 1.00 61.11 C ATOM 262 CD PRO A 19 1.245 25.379 20.381 1.00 22.23 C ATOM 0 HA PRO A 19 -0.996 23.153 21.188 1.00 51.04 H new ATOM 0 HB2 PRO A 19 0.657 23.893 23.293 1.00 14.44 H new ATOM 0 HB3 PRO A 19 1.286 22.966 21.946 1.00 14.44 H new ATOM 0 HG2 PRO A 19 1.460 25.931 22.448 1.00 61.11 H new ATOM 0 HG3 PRO A 19 2.701 24.839 21.868 1.00 61.11 H new ATOM 0 HD2 PRO A 19 1.308 26.446 20.168 1.00 22.23 H new ATOM 0 HD3 PRO A 19 1.893 24.872 19.666 1.00 22.23 H new ATOM 270 N ILE A 20 -2.262 24.030 23.153 1.00 62.33 N ATOM 271 CA ILE A 20 -3.266 24.588 24.050 1.00 41.34 C ATOM 272 C ILE A 20 -3.189 23.945 25.430 1.00 3.00 C ATOM 273 O ILE A 20 -3.315 22.729 25.567 1.00 12.12 O ATOM 274 CB ILE A 20 -4.688 24.403 23.488 1.00 61.21 C ATOM 275 CG1 ILE A 20 -5.724 24.950 24.472 1.00 21.21 C ATOM 276 CG2 ILE A 20 -4.953 22.934 23.193 1.00 55.11 C ATOM 277 CD1 ILE A 20 -7.148 24.843 23.972 1.00 24.35 C ATOM 0 H ILE A 20 -2.176 23.015 23.196 1.00 62.33 H new ATOM 0 HA ILE A 20 -3.054 25.654 24.137 1.00 41.34 H new ATOM 0 HB ILE A 20 -4.770 24.962 22.556 1.00 61.21 H new ATOM 0 HG12 ILE A 20 -5.637 24.411 25.415 1.00 21.21 H new ATOM 0 HG13 ILE A 20 -5.498 25.996 24.681 1.00 21.21 H new ATOM 0 HG21 ILE A 20 -5.962 22.819 22.796 1.00 55.11 H new ATOM 0 HG22 ILE A 20 -4.231 22.574 22.459 1.00 55.11 H new ATOM 0 HG23 ILE A 20 -4.856 22.355 24.111 1.00 55.11 H new ATOM 0 HD11 ILE A 20 -7.828 25.250 24.721 1.00 24.35 H new ATOM 0 HD12 ILE A 20 -7.251 25.406 23.044 1.00 24.35 H new ATOM 0 HD13 ILE A 20 -7.392 23.796 23.790 1.00 24.35 H new ATOM 289 N ASN A 21 -2.982 24.771 26.451 1.00 60.32 N ATOM 290 CA ASN A 21 -2.889 24.283 27.822 1.00 73.40 C ATOM 291 C ASN A 21 -4.277 24.112 28.434 1.00 44.33 C ATOM 292 O ASN A 21 -4.909 25.085 28.848 1.00 22.41 O ATOM 293 CB ASN A 21 -2.059 25.245 28.673 1.00 10.42 C ATOM 294 CG ASN A 21 -0.917 25.868 27.894 1.00 41.33 C ATOM 295 OD1 ASN A 21 -0.197 25.045 27.140 1.00 62.02 O flip ATOM 296 ND2 ASN A 21 -0.685 27.075 27.969 1.00 55.44 N flip ATOM 0 H ASN A 21 -2.876 25.781 26.355 1.00 60.32 H new ATOM 0 HA ASN A 21 -2.398 23.310 27.802 1.00 73.40 H new ATOM 0 HB2 ASN A 21 -2.705 26.034 29.059 1.00 10.42 H new ATOM 0 HB3 ASN A 21 -1.659 24.711 29.535 1.00 10.42 H new ATOM 0 HD21 ASN A 21 -1.264 27.670 28.561 1.00 55.44 H new ATOM 0 HD22 ASN A 21 0.087 27.480 27.439 1.00 55.44 H new ATOM 303 N THR A 22 -4.745 22.869 28.488 1.00 52.32 N ATOM 304 CA THR A 22 -6.057 22.571 29.048 1.00 31.20 C ATOM 305 C THR A 22 -5.978 21.431 30.057 1.00 24.01 C ATOM 306 O THR A 22 -5.035 20.641 30.042 1.00 62.21 O ATOM 307 CB THR A 22 -7.066 22.196 27.946 1.00 14.53 C ATOM 308 OG1 THR A 22 -6.660 22.765 26.696 1.00 35.03 O ATOM 309 CG2 THR A 22 -8.462 22.686 28.302 1.00 32.43 C ATOM 0 H THR A 22 -4.235 22.053 28.151 1.00 52.32 H new ATOM 0 HA THR A 22 -6.399 23.476 29.551 1.00 31.20 H new ATOM 0 HB THR A 22 -7.090 21.110 27.860 1.00 14.53 H new ATOM 0 HG1 THR A 22 -7.306 22.521 26.000 1.00 35.03 H new ATOM 0 HG21 THR A 22 -9.158 22.410 27.510 1.00 32.43 H new ATOM 0 HG22 THR A 22 -8.780 22.229 29.239 1.00 32.43 H new ATOM 0 HG23 THR A 22 -8.450 23.770 28.413 1.00 32.43 H new ATOM 317 N ASN A 23 -6.974 21.352 30.933 1.00 30.31 N ATOM 318 CA ASN A 23 -7.016 20.307 31.950 1.00 14.31 C ATOM 319 C ASN A 23 -8.195 19.368 31.716 1.00 73.50 C ATOM 320 O ASN A 23 -9.302 19.809 31.407 1.00 53.42 O ATOM 321 CB ASN A 23 -7.114 20.928 33.345 1.00 51.40 C ATOM 322 CG ASN A 23 -6.318 22.214 33.462 1.00 30.25 C ATOM 323 OD1 ASN A 23 -5.092 22.199 32.952 1.00 23.21 O flip ATOM 324 ND2 ASN A 23 -6.800 23.208 34.006 1.00 54.35 N flip ATOM 0 H ASN A 23 -7.763 21.998 30.959 1.00 30.31 H new ATOM 0 HA ASN A 23 -6.094 19.729 31.880 1.00 14.31 H new ATOM 0 HB2 ASN A 23 -8.160 21.129 33.578 1.00 51.40 H new ATOM 0 HB3 ASN A 23 -6.754 20.213 34.084 1.00 51.40 H new ATOM 0 HD21 ASN A 23 -7.747 23.174 34.384 1.00 54.35 H new ATOM 0 HD22 ASN A 23 -6.252 24.066 34.079 1.00 54.35 H new ATOM 331 N ILE A 24 -7.950 18.070 31.866 1.00 4.40 N ATOM 332 CA ILE A 24 -8.991 17.069 31.673 1.00 62.23 C ATOM 333 C ILE A 24 -8.871 15.947 32.698 1.00 31.51 C ATOM 334 O ILE A 24 -7.791 15.687 33.226 1.00 64.01 O ATOM 335 CB ILE A 24 -8.934 16.464 30.257 1.00 14.15 C ATOM 336 CG1 ILE A 24 -8.619 17.550 29.227 1.00 13.52 C ATOM 337 CG2 ILE A 24 -10.249 15.775 29.923 1.00 21.23 C ATOM 338 CD1 ILE A 24 -8.551 17.035 27.807 1.00 62.42 C ATOM 0 H ILE A 24 -7.039 17.688 32.121 1.00 4.40 H new ATOM 0 HA ILE A 24 -9.946 17.577 31.804 1.00 62.23 H new ATOM 0 HB ILE A 24 -8.138 15.720 30.227 1.00 14.15 H new ATOM 0 HG12 ILE A 24 -9.380 18.328 29.287 1.00 13.52 H new ATOM 0 HG13 ILE A 24 -7.667 18.016 29.482 1.00 13.52 H new ATOM 0 HG21 ILE A 24 -10.194 15.352 28.920 1.00 21.23 H new ATOM 0 HG22 ILE A 24 -10.435 14.978 30.643 1.00 21.23 H new ATOM 0 HG23 ILE A 24 -11.061 16.500 29.967 1.00 21.23 H new ATOM 0 HD11 ILE A 24 -8.324 17.860 27.131 1.00 62.42 H new ATOM 0 HD12 ILE A 24 -7.770 16.278 27.731 1.00 62.42 H new ATOM 0 HD13 ILE A 24 -9.510 16.595 27.533 1.00 62.42 H new ATOM 350 N ASN A 25 -9.989 15.283 32.974 1.00 31.20 N ATOM 351 CA ASN A 25 -10.010 14.186 33.936 1.00 44.54 C ATOM 352 C ASN A 25 -10.352 12.867 33.250 1.00 41.54 C ATOM 353 O ASN A 25 -10.805 12.849 32.105 1.00 75.03 O ATOM 354 CB ASN A 25 -11.021 14.474 35.047 1.00 74.03 C ATOM 355 CG ASN A 25 -10.898 13.504 36.206 1.00 74.22 C ATOM 356 OD1 ASN A 25 -9.676 13.309 36.687 1.00 62.40 O flip ATOM 357 ND2 ASN A 25 -11.891 12.937 36.663 1.00 11.21 N flip ATOM 0 H ASN A 25 -10.892 15.485 32.545 1.00 31.20 H new ATOM 0 HA ASN A 25 -9.015 14.100 34.373 1.00 44.54 H new ATOM 0 HB2 ASN A 25 -10.877 15.491 35.411 1.00 74.03 H new ATOM 0 HB3 ASN A 25 -12.030 14.422 34.639 1.00 74.03 H new ATOM 0 HD21 ASN A 25 -12.811 13.117 36.262 1.00 11.21 H new ATOM 0 HD22 ASN A 25 -11.793 12.287 37.443 1.00 11.21 H new ATOM 364 N THR A 26 -10.132 11.764 33.958 1.00 71.25 N ATOM 365 CA THR A 26 -10.416 10.440 33.418 1.00 53.22 C ATOM 366 C THR A 26 -9.440 10.080 32.304 1.00 73.43 C ATOM 367 O THR A 26 -9.847 9.665 31.218 1.00 65.14 O ATOM 368 CB THR A 26 -11.854 10.353 32.873 1.00 35.41 C ATOM 369 OG1 THR A 26 -12.705 11.256 33.588 1.00 42.43 O ATOM 370 CG2 THR A 26 -12.394 8.936 32.996 1.00 34.34 C ATOM 0 H THR A 26 -9.758 11.761 34.907 1.00 71.25 H new ATOM 0 HA THR A 26 -10.303 9.732 34.239 1.00 53.22 H new ATOM 0 HB THR A 26 -11.836 10.629 31.819 1.00 35.41 H new ATOM 0 HG1 THR A 26 -13.617 11.196 33.234 1.00 42.43 H new ATOM 0 HG21 THR A 26 -13.411 8.899 32.605 1.00 34.34 H new ATOM 0 HG22 THR A 26 -11.761 8.255 32.427 1.00 34.34 H new ATOM 0 HG23 THR A 26 -12.397 8.638 34.044 1.00 34.34 H new ATOM 378 N THR A 27 -8.149 10.239 32.579 1.00 15.23 N ATOM 379 CA THR A 27 -7.115 9.931 31.600 1.00 31.30 C ATOM 380 C THR A 27 -7.572 10.281 30.189 1.00 50.43 C ATOM 381 O THR A 27 -8.013 9.414 29.435 1.00 54.14 O ATOM 382 CB THR A 27 -6.724 8.441 31.646 1.00 55.43 C ATOM 383 OG1 THR A 27 -5.962 8.099 30.483 1.00 4.23 O ATOM 384 CG2 THR A 27 -7.962 7.560 31.724 1.00 24.44 C ATOM 0 H THR A 27 -7.795 10.580 33.473 1.00 15.23 H new ATOM 0 HA THR A 27 -6.246 10.536 31.858 1.00 31.30 H new ATOM 0 HB THR A 27 -6.120 8.273 32.538 1.00 55.43 H new ATOM 0 HG1 THR A 27 -5.079 8.521 30.535 1.00 4.23 H new ATOM 0 HG21 THR A 27 -7.662 6.513 31.755 1.00 24.44 H new ATOM 0 HG22 THR A 27 -8.525 7.803 32.625 1.00 24.44 H new ATOM 0 HG23 THR A 27 -8.587 7.732 30.848 1.00 24.44 H new ATOM 392 N VAL A 28 -7.463 11.559 29.836 1.00 23.54 N ATOM 393 CA VAL A 28 -7.863 12.024 28.514 1.00 72.31 C ATOM 394 C VAL A 28 -6.675 12.599 27.751 1.00 54.41 C ATOM 395 O VAL A 28 -5.801 13.240 28.334 1.00 21.45 O ATOM 396 CB VAL A 28 -8.968 13.093 28.606 1.00 45.52 C ATOM 397 CG1 VAL A 28 -9.285 13.653 27.228 1.00 42.44 C ATOM 398 CG2 VAL A 28 -10.216 12.516 29.256 1.00 64.31 C ATOM 0 H VAL A 28 -7.101 12.290 30.448 1.00 23.54 H new ATOM 0 HA VAL A 28 -8.250 11.158 27.977 1.00 72.31 H new ATOM 0 HB VAL A 28 -8.607 13.910 29.230 1.00 45.52 H new ATOM 0 HG11 VAL A 28 -10.068 14.407 27.313 1.00 42.44 H new ATOM 0 HG12 VAL A 28 -8.389 14.107 26.805 1.00 42.44 H new ATOM 0 HG13 VAL A 28 -9.626 12.848 26.578 1.00 42.44 H new ATOM 0 HG21 VAL A 28 -10.986 13.286 29.312 1.00 64.31 H new ATOM 0 HG22 VAL A 28 -10.582 11.679 28.661 1.00 64.31 H new ATOM 0 HG23 VAL A 28 -9.976 12.169 30.261 1.00 64.31 H new ATOM 408 N SER A 29 -6.651 12.367 26.442 1.00 11.53 N ATOM 409 CA SER A 29 -5.569 12.860 25.599 1.00 44.23 C ATOM 410 C SER A 29 -5.876 14.263 25.085 1.00 52.34 C ATOM 411 O SER A 29 -7.021 14.583 24.764 1.00 12.10 O ATOM 412 CB SER A 29 -5.340 11.912 24.420 1.00 22.23 C ATOM 413 OG SER A 29 -6.178 10.773 24.512 1.00 54.12 O ATOM 0 H SER A 29 -7.368 11.841 25.943 1.00 11.53 H new ATOM 0 HA SER A 29 -4.663 12.903 26.203 1.00 44.23 H new ATOM 0 HB2 SER A 29 -5.535 12.436 23.484 1.00 22.23 H new ATOM 0 HB3 SER A 29 -4.296 11.599 24.398 1.00 22.23 H new ATOM 0 HG SER A 29 -6.014 10.183 23.747 1.00 54.12 H new ATOM 419 N LYS A 30 -4.845 15.098 25.008 1.00 31.15 N ATOM 420 CA LYS A 30 -5.002 16.467 24.533 1.00 41.25 C ATOM 421 C LYS A 30 -4.626 16.577 23.058 1.00 4.35 C ATOM 422 O LYS A 30 -3.636 15.993 22.617 1.00 55.44 O ATOM 423 CB LYS A 30 -4.138 17.420 25.363 1.00 75.42 C ATOM 424 CG LYS A 30 -4.921 18.194 26.409 1.00 0.21 C ATOM 425 CD LYS A 30 -5.534 19.456 25.826 1.00 54.04 C ATOM 426 CE LYS A 30 -6.965 19.220 25.367 1.00 72.52 C ATOM 427 NZ LYS A 30 -7.172 19.645 23.955 1.00 54.01 N ATOM 0 H LYS A 30 -3.891 14.850 25.269 1.00 31.15 H new ATOM 0 HA LYS A 30 -6.050 16.746 24.645 1.00 41.25 H new ATOM 0 HB2 LYS A 30 -3.353 16.848 25.858 1.00 75.42 H new ATOM 0 HB3 LYS A 30 -3.645 18.126 24.694 1.00 75.42 H new ATOM 0 HG2 LYS A 30 -5.709 17.561 26.817 1.00 0.21 H new ATOM 0 HG3 LYS A 30 -4.262 18.457 27.237 1.00 0.21 H new ATOM 0 HD2 LYS A 30 -5.517 20.249 26.574 1.00 54.04 H new ATOM 0 HD3 LYS A 30 -4.932 19.799 24.984 1.00 54.04 H new ATOM 0 HE2 LYS A 30 -7.209 18.162 25.467 1.00 72.52 H new ATOM 0 HE3 LYS A 30 -7.649 19.768 26.015 1.00 72.52 H new ATOM 0 HZ1 LYS A 30 -7.835 18.993 23.490 1.00 54.01 H new ATOM 0 HZ2 LYS A 30 -7.563 20.608 23.936 1.00 54.01 H new ATOM 0 HZ3 LYS A 30 -6.262 19.631 23.451 1.00 54.01 H new ATOM 441 N GLN A 31 -5.420 17.330 22.304 1.00 1.02 N ATOM 442 CA GLN A 31 -5.168 17.516 20.880 1.00 13.51 C ATOM 443 C GLN A 31 -4.665 18.928 20.596 1.00 23.25 C ATOM 444 O GLN A 31 -5.147 19.899 21.179 1.00 13.11 O ATOM 445 CB GLN A 31 -6.441 17.245 20.076 1.00 0.10 C ATOM 446 CG GLN A 31 -6.205 16.412 18.827 1.00 51.15 C ATOM 447 CD GLN A 31 -5.112 16.981 17.944 1.00 60.14 C ATOM 448 OE1 GLN A 31 -3.872 16.588 18.210 1.00 30.33 O flip ATOM 449 NE2 GLN A 31 -5.379 17.765 17.032 1.00 44.44 N flip ATOM 0 H GLN A 31 -6.242 17.821 22.655 1.00 1.02 H new ATOM 0 HA GLN A 31 -4.397 16.807 20.578 1.00 13.51 H new ATOM 0 HB2 GLN A 31 -7.161 16.733 20.714 1.00 0.10 H new ATOM 0 HB3 GLN A 31 -6.889 18.196 19.789 1.00 0.10 H new ATOM 0 HG2 GLN A 31 -5.940 15.396 19.118 1.00 51.15 H new ATOM 0 HG3 GLN A 31 -7.132 16.349 18.257 1.00 51.15 H new ATOM 0 HE21 GLN A 31 -6.347 18.040 16.863 1.00 44.44 H new ATOM 0 HE22 GLN A 31 -4.633 18.139 16.446 1.00 44.44 H new ATOM 458 N PHE A 32 -3.691 19.034 19.698 1.00 32.01 N ATOM 459 CA PHE A 32 -3.121 20.327 19.338 1.00 61.20 C ATOM 460 C PHE A 32 -2.951 20.444 17.826 1.00 10.31 C ATOM 461 O PHE A 32 -3.399 19.581 17.071 1.00 42.21 O ATOM 462 CB PHE A 32 -1.771 20.523 20.031 1.00 41.40 C ATOM 463 CG PHE A 32 -0.790 19.419 19.758 1.00 53.04 C ATOM 464 CD1 PHE A 32 -0.164 19.320 18.526 1.00 43.11 C ATOM 465 CD2 PHE A 32 -0.496 18.479 20.732 1.00 3.34 C ATOM 466 CE1 PHE A 32 0.740 18.305 18.271 1.00 15.32 C ATOM 467 CE2 PHE A 32 0.407 17.463 20.484 1.00 72.34 C ATOM 468 CZ PHE A 32 1.024 17.375 19.251 1.00 22.32 C ATOM 0 H PHE A 32 -3.280 18.240 19.206 1.00 32.01 H new ATOM 0 HA PHE A 32 -3.809 21.105 19.670 1.00 61.20 H new ATOM 0 HB2 PHE A 32 -1.339 21.470 19.707 1.00 41.40 H new ATOM 0 HB3 PHE A 32 -1.931 20.598 21.107 1.00 41.40 H new ATOM 0 HD1 PHE A 32 -0.385 20.044 17.756 1.00 43.11 H new ATOM 0 HD2 PHE A 32 -0.978 18.541 21.696 1.00 3.34 H new ATOM 0 HE1 PHE A 32 1.223 18.240 17.307 1.00 15.32 H new ATOM 0 HE2 PHE A 32 0.630 16.738 21.253 1.00 72.34 H new ATOM 0 HZ PHE A 32 1.728 16.580 19.054 1.00 22.32 H new ATOM 478 N PHE A 33 -2.301 21.519 17.391 1.00 33.05 N ATOM 479 CA PHE A 33 -2.073 21.751 15.970 1.00 11.41 C ATOM 480 C PHE A 33 -0.582 21.731 15.648 1.00 24.42 C ATOM 481 O PHE A 33 0.234 22.266 16.399 1.00 74.13 O ATOM 482 CB PHE A 33 -2.679 23.091 15.547 1.00 0.20 C ATOM 483 CG PHE A 33 -3.443 23.022 14.256 1.00 53.51 C ATOM 484 CD1 PHE A 33 -2.804 22.685 13.074 1.00 21.10 C ATOM 485 CD2 PHE A 33 -4.801 23.296 14.224 1.00 33.11 C ATOM 486 CE1 PHE A 33 -3.504 22.620 11.884 1.00 13.32 C ATOM 487 CE2 PHE A 33 -5.507 23.233 13.037 1.00 30.55 C ATOM 488 CZ PHE A 33 -4.858 22.896 11.866 1.00 64.41 C ATOM 0 H PHE A 33 -1.923 22.243 18.002 1.00 33.05 H new ATOM 0 HA PHE A 33 -2.558 20.949 15.414 1.00 11.41 H new ATOM 0 HB2 PHE A 33 -3.344 23.445 16.335 1.00 0.20 H new ATOM 0 HB3 PHE A 33 -1.881 23.827 15.449 1.00 0.20 H new ATOM 0 HD1 PHE A 33 -1.746 22.470 13.082 1.00 21.10 H new ATOM 0 HD2 PHE A 33 -5.314 23.562 15.137 1.00 33.11 H new ATOM 0 HE1 PHE A 33 -2.994 22.354 10.970 1.00 13.32 H new ATOM 0 HE2 PHE A 33 -6.565 23.447 13.026 1.00 30.55 H new ATOM 0 HZ PHE A 33 -5.408 22.848 10.937 1.00 64.41 H new ATOM 498 N ALA A 34 -0.233 21.108 14.527 1.00 30.11 N ATOM 499 CA ALA A 34 1.159 21.018 14.104 1.00 20.14 C ATOM 500 C ALA A 34 1.284 21.160 12.591 1.00 35.22 C ATOM 501 O ALA A 34 0.745 20.351 11.835 1.00 14.33 O ATOM 502 CB ALA A 34 1.766 19.701 14.565 1.00 43.03 C ATOM 0 H ALA A 34 -0.896 20.658 13.895 1.00 30.11 H new ATOM 0 HA ALA A 34 1.707 21.839 14.565 1.00 20.14 H new ATOM 0 HB1 ALA A 34 2.806 19.647 14.242 1.00 43.03 H new ATOM 0 HB2 ALA A 34 1.720 19.640 15.652 1.00 43.03 H new ATOM 0 HB3 ALA A 34 1.208 18.871 14.131 1.00 43.03 H new ATOM 508 N VAL A 35 1.997 22.193 12.155 1.00 50.10 N ATOM 509 CA VAL A 35 2.192 22.441 10.731 1.00 25.45 C ATOM 510 C VAL A 35 3.668 22.647 10.407 1.00 13.42 C ATOM 511 O VAL A 35 4.290 23.598 10.878 1.00 42.42 O ATOM 512 CB VAL A 35 1.397 23.673 10.262 1.00 42.23 C ATOM 513 CG1 VAL A 35 -0.079 23.335 10.124 1.00 15.51 C ATOM 514 CG2 VAL A 35 1.600 24.835 11.223 1.00 54.15 C ATOM 0 H VAL A 35 2.449 22.872 12.767 1.00 50.10 H new ATOM 0 HA VAL A 35 1.827 21.560 10.203 1.00 25.45 H new ATOM 0 HB VAL A 35 1.769 23.973 9.282 1.00 42.23 H new ATOM 0 HG11 VAL A 35 -0.625 24.218 9.792 1.00 15.51 H new ATOM 0 HG12 VAL A 35 -0.202 22.536 9.393 1.00 15.51 H new ATOM 0 HG13 VAL A 35 -0.469 23.009 11.088 1.00 15.51 H new ATOM 0 HG21 VAL A 35 1.031 25.698 10.876 1.00 54.15 H new ATOM 0 HG22 VAL A 35 1.256 24.549 12.217 1.00 54.15 H new ATOM 0 HG23 VAL A 35 2.658 25.092 11.265 1.00 54.15 H new ATOM 524 N GLY A 36 4.222 21.749 9.598 1.00 11.24 N ATOM 525 CA GLY A 36 5.620 21.851 9.224 1.00 24.11 C ATOM 526 C GLY A 36 5.808 22.409 7.827 1.00 14.24 C ATOM 527 O GLY A 36 5.128 21.994 6.888 1.00 41.32 O ATOM 0 H GLY A 36 3.727 20.953 9.195 1.00 11.24 H new ATOM 0 HA2 GLY A 36 6.139 22.489 9.939 1.00 24.11 H new ATOM 0 HA3 GLY A 36 6.081 20.865 9.283 1.00 24.11 H new ATOM 531 N THR A 37 6.731 23.355 7.689 1.00 42.43 N ATOM 532 CA THR A 37 7.004 23.974 6.398 1.00 70.14 C ATOM 533 C THR A 37 8.410 23.638 5.913 1.00 33.00 C ATOM 534 O THR A 37 9.394 23.897 6.606 1.00 20.51 O ATOM 535 CB THR A 37 6.848 25.505 6.464 1.00 62.11 C ATOM 536 OG1 THR A 37 7.140 25.970 7.786 1.00 4.22 O ATOM 537 CG2 THR A 37 5.439 25.923 6.074 1.00 75.23 C ATOM 0 H THR A 37 7.303 23.710 8.456 1.00 42.43 H new ATOM 0 HA THR A 37 6.274 23.572 5.695 1.00 70.14 H new ATOM 0 HB THR A 37 7.550 25.950 5.759 1.00 62.11 H new ATOM 0 HG1 THR A 37 7.987 25.581 8.090 1.00 4.22 H new ATOM 0 HG21 THR A 37 5.353 27.008 6.128 1.00 75.23 H new ATOM 0 HG22 THR A 37 5.230 25.593 5.056 1.00 75.23 H new ATOM 0 HG23 THR A 37 4.722 25.468 6.757 1.00 75.23 H new ATOM 545 N TYR A 38 8.497 23.061 4.720 1.00 51.55 N ATOM 546 CA TYR A 38 9.783 22.689 4.143 1.00 62.40 C ATOM 547 C TYR A 38 10.519 23.916 3.614 1.00 25.23 C ATOM 548 O TYR A 38 9.903 24.855 3.112 1.00 13.22 O ATOM 549 CB TYR A 38 9.586 21.674 3.016 1.00 75.32 C ATOM 550 CG TYR A 38 9.412 20.253 3.504 1.00 41.15 C ATOM 551 CD1 TYR A 38 8.433 19.932 4.435 1.00 14.11 C ATOM 552 CD2 TYR A 38 10.227 19.232 3.032 1.00 63.53 C ATOM 553 CE1 TYR A 38 8.271 18.636 4.884 1.00 23.30 C ATOM 554 CE2 TYR A 38 10.072 17.932 3.474 1.00 62.11 C ATOM 555 CZ TYR A 38 9.093 17.639 4.400 1.00 2.24 C ATOM 556 OH TYR A 38 8.935 16.346 4.844 1.00 53.21 O ATOM 0 H TYR A 38 7.692 22.841 4.134 1.00 51.55 H new ATOM 0 HA TYR A 38 10.387 22.236 4.929 1.00 62.40 H new ATOM 0 HB2 TYR A 38 8.711 21.958 2.431 1.00 75.32 H new ATOM 0 HB3 TYR A 38 10.445 21.717 2.346 1.00 75.32 H new ATOM 0 HD1 TYR A 38 7.787 20.710 4.815 1.00 14.11 H new ATOM 0 HD2 TYR A 38 10.995 19.458 2.307 1.00 63.53 H new ATOM 0 HE1 TYR A 38 7.505 18.404 5.610 1.00 23.30 H new ATOM 0 HE2 TYR A 38 10.714 17.150 3.096 1.00 62.11 H new ATOM 0 HH TYR A 38 9.592 15.767 4.404 1.00 53.21 H new ATOM 566 N SER A 39 11.843 23.899 3.731 1.00 45.11 N ATOM 567 CA SER A 39 12.666 25.011 3.268 1.00 14.01 C ATOM 568 C SER A 39 12.473 25.243 1.773 1.00 40.44 C ATOM 569 O SER A 39 12.767 26.323 1.258 1.00 74.40 O ATOM 570 CB SER A 39 14.141 24.741 3.568 1.00 43.21 C ATOM 571 OG SER A 39 14.817 24.267 2.416 1.00 23.13 O ATOM 0 H SER A 39 12.369 23.128 4.142 1.00 45.11 H new ATOM 0 HA SER A 39 12.353 25.909 3.801 1.00 14.01 H new ATOM 0 HB2 SER A 39 14.617 25.656 3.922 1.00 43.21 H new ATOM 0 HB3 SER A 39 14.224 24.007 4.370 1.00 43.21 H new ATOM 0 HG SER A 39 15.759 24.104 2.633 1.00 23.13 H new ATOM 577 N ASP A 40 11.978 24.223 1.081 1.00 51.11 N ATOM 578 CA ASP A 40 11.744 24.315 -0.356 1.00 25.23 C ATOM 579 C ASP A 40 10.584 25.258 -0.659 1.00 22.34 C ATOM 580 O ASP A 40 10.354 25.626 -1.810 1.00 25.03 O ATOM 581 CB ASP A 40 11.457 22.929 -0.937 1.00 2.52 C ATOM 582 CG ASP A 40 12.169 22.695 -2.255 1.00 0.43 C ATOM 583 OD1 ASP A 40 13.407 22.851 -2.295 1.00 63.53 O ATOM 584 OD2 ASP A 40 11.488 22.358 -3.246 1.00 32.13 O ATOM 0 H ASP A 40 11.731 23.323 1.492 1.00 51.11 H new ATOM 0 HA ASP A 40 12.645 24.716 -0.821 1.00 25.23 H new ATOM 0 HB2 ASP A 40 11.765 22.167 -0.221 1.00 2.52 H new ATOM 0 HB3 ASP A 40 10.383 22.814 -1.082 1.00 2.52 H new ATOM 589 N GLY A 41 9.854 25.644 0.384 1.00 45.23 N ATOM 590 CA GLY A 41 8.726 26.540 0.208 1.00 21.40 C ATOM 591 C GLY A 41 7.400 25.805 0.193 1.00 41.31 C ATOM 592 O GLY A 41 6.552 26.057 -0.664 1.00 35.44 O ATOM 0 H GLY A 41 10.024 25.352 1.347 1.00 45.23 H new ATOM 0 HA2 GLY A 41 8.721 27.276 1.012 1.00 21.40 H new ATOM 0 HA3 GLY A 41 8.844 27.089 -0.726 1.00 21.40 H new ATOM 596 N THR A 42 7.220 24.893 1.143 1.00 72.54 N ATOM 597 CA THR A 42 5.989 24.117 1.234 1.00 43.03 C ATOM 598 C THR A 42 5.436 24.128 2.654 1.00 3.12 C ATOM 599 O THR A 42 6.127 24.513 3.598 1.00 41.43 O ATOM 600 CB THR A 42 6.211 22.658 0.793 1.00 72.14 C ATOM 601 OG1 THR A 42 7.303 22.586 -0.130 1.00 64.42 O ATOM 602 CG2 THR A 42 4.956 22.092 0.146 1.00 73.33 C ATOM 0 H THR A 42 7.911 24.673 1.860 1.00 72.54 H new ATOM 0 HA THR A 42 5.269 24.586 0.563 1.00 43.03 H new ATOM 0 HB THR A 42 6.444 22.065 1.678 1.00 72.14 H new ATOM 0 HG1 THR A 42 7.439 21.655 -0.404 1.00 64.42 H new ATOM 0 HG21 THR A 42 5.136 21.061 -0.157 1.00 73.33 H new ATOM 0 HG22 THR A 42 4.133 22.121 0.861 1.00 73.33 H new ATOM 0 HG23 THR A 42 4.698 22.688 -0.729 1.00 73.33 H new ATOM 610 N LYS A 43 4.186 23.702 2.801 1.00 42.43 N ATOM 611 CA LYS A 43 3.540 23.661 4.107 1.00 53.00 C ATOM 612 C LYS A 43 2.543 22.509 4.185 1.00 63.33 C ATOM 613 O LYS A 43 1.689 22.355 3.312 1.00 30.35 O ATOM 614 CB LYS A 43 2.827 24.986 4.388 1.00 35.42 C ATOM 615 CG LYS A 43 2.194 25.055 5.767 1.00 31.13 C ATOM 616 CD LYS A 43 2.089 26.488 6.261 1.00 1.03 C ATOM 617 CE LYS A 43 2.319 26.578 7.762 1.00 12.42 C ATOM 618 NZ LYS A 43 1.497 27.653 8.385 1.00 22.33 N ATOM 0 H LYS A 43 3.600 23.380 2.031 1.00 42.43 H new ATOM 0 HA LYS A 43 4.311 23.503 4.861 1.00 53.00 H new ATOM 0 HB2 LYS A 43 3.541 25.803 4.284 1.00 35.42 H new ATOM 0 HB3 LYS A 43 2.055 25.140 3.635 1.00 35.42 H new ATOM 0 HG2 LYS A 43 1.201 24.606 5.735 1.00 31.13 H new ATOM 0 HG3 LYS A 43 2.786 24.469 6.470 1.00 31.13 H new ATOM 0 HD2 LYS A 43 2.820 27.107 5.742 1.00 1.03 H new ATOM 0 HD3 LYS A 43 1.104 26.887 6.018 1.00 1.03 H new ATOM 0 HE2 LYS A 43 2.077 25.621 8.225 1.00 12.42 H new ATOM 0 HE3 LYS A 43 3.374 26.768 7.957 1.00 12.42 H new ATOM 0 HZ1 LYS A 43 1.682 27.683 9.408 1.00 22.33 H new ATOM 0 HZ2 LYS A 43 1.746 28.570 7.962 1.00 22.33 H new ATOM 0 HZ3 LYS A 43 0.489 27.458 8.221 1.00 22.33 H new ATOM 632 N ALA A 44 2.658 21.703 5.235 1.00 24.22 N ATOM 633 CA ALA A 44 1.765 20.567 5.428 1.00 24.01 C ATOM 634 C ALA A 44 1.682 20.178 6.900 1.00 13.32 C ATOM 635 O ALA A 44 2.678 20.224 7.622 1.00 62.23 O ATOM 636 CB ALA A 44 2.230 19.383 4.593 1.00 32.21 C ATOM 0 H ALA A 44 3.361 21.816 5.965 1.00 24.22 H new ATOM 0 HA ALA A 44 0.768 20.860 5.100 1.00 24.01 H new ATOM 0 HB1 ALA A 44 1.554 18.542 4.747 1.00 32.21 H new ATOM 0 HB2 ALA A 44 2.231 19.660 3.539 1.00 32.21 H new ATOM 0 HB3 ALA A 44 3.238 19.098 4.895 1.00 32.21 H new ATOM 642 N ASP A 45 0.487 19.797 7.340 1.00 44.15 N ATOM 643 CA ASP A 45 0.274 19.400 8.726 1.00 13.14 C ATOM 644 C ASP A 45 0.900 18.037 9.004 1.00 73.11 C ATOM 645 O ASP A 45 0.215 17.013 8.989 1.00 63.21 O ATOM 646 CB ASP A 45 -1.222 19.362 9.044 1.00 41.51 C ATOM 647 CG ASP A 45 -2.027 18.673 7.960 1.00 42.44 C ATOM 648 OD1 ASP A 45 -1.441 17.867 7.207 1.00 43.33 O ATOM 649 OD2 ASP A 45 -3.243 18.939 7.864 1.00 10.44 O ATOM 0 H ASP A 45 -0.348 19.755 6.756 1.00 44.15 H new ATOM 0 HA ASP A 45 0.756 20.138 9.367 1.00 13.14 H new ATOM 0 HB2 ASP A 45 -1.376 18.845 9.991 1.00 41.51 H new ATOM 0 HB3 ASP A 45 -1.589 20.380 9.173 1.00 41.51 H new ATOM 654 N LEU A 46 2.204 18.031 9.256 1.00 70.12 N ATOM 655 CA LEU A 46 2.923 16.793 9.536 1.00 45.12 C ATOM 656 C LEU A 46 3.416 16.764 10.979 1.00 1.21 C ATOM 657 O LEU A 46 4.130 17.665 11.422 1.00 63.25 O ATOM 658 CB LEU A 46 4.106 16.640 8.578 1.00 22.30 C ATOM 659 CG LEU A 46 3.903 17.191 7.166 1.00 13.24 C ATOM 660 CD1 LEU A 46 5.100 16.863 6.288 1.00 52.44 C ATOM 661 CD2 LEU A 46 2.623 16.637 6.557 1.00 64.14 C ATOM 0 H LEU A 46 2.785 18.869 9.272 1.00 70.12 H new ATOM 0 HA LEU A 46 2.234 15.961 9.390 1.00 45.12 H new ATOM 0 HB2 LEU A 46 4.971 17.136 9.019 1.00 22.30 H new ATOM 0 HB3 LEU A 46 4.351 15.581 8.501 1.00 22.30 H new ATOM 0 HG LEU A 46 3.812 18.275 7.229 1.00 13.24 H new ATOM 0 HD11 LEU A 46 4.938 17.263 5.287 1.00 52.44 H new ATOM 0 HD12 LEU A 46 5.998 17.309 6.716 1.00 52.44 H new ATOM 0 HD13 LEU A 46 5.224 15.782 6.231 1.00 52.44 H new ATOM 0 HD21 LEU A 46 2.494 17.040 5.552 1.00 64.14 H new ATOM 0 HD22 LEU A 46 2.685 15.550 6.507 1.00 64.14 H new ATOM 0 HD23 LEU A 46 1.772 16.924 7.175 1.00 64.14 H new ATOM 673 N THR A 47 3.032 15.722 11.710 1.00 72.04 N ATOM 674 CA THR A 47 3.435 15.575 13.102 1.00 31.44 C ATOM 675 C THR A 47 4.022 14.192 13.362 1.00 73.24 C ATOM 676 O THR A 47 4.997 14.049 14.099 1.00 13.13 O ATOM 677 CB THR A 47 2.249 15.804 14.058 1.00 75.32 C ATOM 678 OG1 THR A 47 1.152 16.387 13.346 1.00 75.33 O ATOM 679 CG2 THR A 47 2.650 16.710 15.211 1.00 0.35 C ATOM 0 H THR A 47 2.442 14.967 11.360 1.00 72.04 H new ATOM 0 HA THR A 47 4.196 16.332 13.291 1.00 31.44 H new ATOM 0 HB THR A 47 1.947 14.839 14.464 1.00 75.32 H new ATOM 0 HG1 THR A 47 0.401 16.528 13.960 1.00 75.33 H new ATOM 0 HG21 THR A 47 1.796 16.857 15.872 1.00 0.35 H new ATOM 0 HG22 THR A 47 3.466 16.250 15.769 1.00 0.35 H new ATOM 0 HG23 THR A 47 2.976 17.674 14.820 1.00 0.35 H new ATOM 687 N SER A 48 3.422 13.175 12.750 1.00 41.42 N ATOM 688 CA SER A 48 3.884 11.802 12.917 1.00 1.52 C ATOM 689 C SER A 48 5.330 11.656 12.454 1.00 25.33 C ATOM 690 O SER A 48 6.011 10.691 12.803 1.00 75.31 O ATOM 691 CB SER A 48 2.987 10.841 12.136 1.00 54.14 C ATOM 692 OG SER A 48 3.408 9.499 12.304 1.00 24.21 O ATOM 0 H SER A 48 2.615 13.276 12.134 1.00 41.42 H new ATOM 0 HA SER A 48 3.833 11.554 13.977 1.00 1.52 H new ATOM 0 HB2 SER A 48 1.956 10.947 12.473 1.00 54.14 H new ATOM 0 HB3 SER A 48 3.005 11.101 11.078 1.00 54.14 H new ATOM 0 HG SER A 48 2.743 9.012 12.834 1.00 24.21 H new ATOM 698 N SER A 49 5.794 12.621 11.666 1.00 32.34 N ATOM 699 CA SER A 49 7.158 12.598 11.152 1.00 50.34 C ATOM 700 C SER A 49 8.147 13.067 12.214 1.00 24.44 C ATOM 701 O SER A 49 9.353 12.847 12.096 1.00 0.34 O ATOM 702 CB SER A 49 7.271 13.483 9.908 1.00 20.34 C ATOM 703 OG SER A 49 8.560 14.064 9.811 1.00 31.42 O ATOM 0 H SER A 49 5.245 13.428 11.370 1.00 32.34 H new ATOM 0 HA SER A 49 7.401 11.570 10.883 1.00 50.34 H new ATOM 0 HB2 SER A 49 7.068 12.890 9.016 1.00 20.34 H new ATOM 0 HB3 SER A 49 6.516 14.269 9.947 1.00 20.34 H new ATOM 0 HG SER A 49 8.607 14.623 9.008 1.00 31.42 H new ATOM 709 N VAL A 50 7.628 13.713 13.253 1.00 3.42 N ATOM 710 CA VAL A 50 8.464 14.212 14.338 1.00 3.55 C ATOM 711 C VAL A 50 8.613 13.171 15.441 1.00 32.45 C ATOM 712 O VAL A 50 7.986 12.111 15.399 1.00 5.13 O ATOM 713 CB VAL A 50 7.886 15.506 14.943 1.00 30.43 C ATOM 714 CG1 VAL A 50 7.328 16.404 13.850 1.00 61.21 C ATOM 715 CG2 VAL A 50 6.816 15.179 15.974 1.00 30.01 C ATOM 0 H VAL A 50 6.632 13.903 13.366 1.00 3.42 H new ATOM 0 HA VAL A 50 9.443 14.426 13.910 1.00 3.55 H new ATOM 0 HB VAL A 50 8.691 16.043 15.445 1.00 30.43 H new ATOM 0 HG11 VAL A 50 6.924 17.313 14.296 1.00 61.21 H new ATOM 0 HG12 VAL A 50 8.124 16.665 13.152 1.00 61.21 H new ATOM 0 HG13 VAL A 50 6.536 15.879 13.317 1.00 61.21 H new ATOM 0 HG21 VAL A 50 6.418 16.104 16.391 1.00 30.01 H new ATOM 0 HG22 VAL A 50 6.011 14.620 15.498 1.00 30.01 H new ATOM 0 HG23 VAL A 50 7.252 14.578 16.773 1.00 30.01 H new ATOM 725 N THR A 51 9.447 13.478 16.430 1.00 15.34 N ATOM 726 CA THR A 51 9.679 12.569 17.545 1.00 35.23 C ATOM 727 C THR A 51 9.048 13.099 18.828 1.00 72.02 C ATOM 728 O THR A 51 9.138 14.289 19.128 1.00 15.35 O ATOM 729 CB THR A 51 11.184 12.343 17.782 1.00 33.02 C ATOM 730 OG1 THR A 51 11.935 12.843 16.671 1.00 41.34 O ATOM 731 CG2 THR A 51 11.485 10.865 17.980 1.00 34.01 C ATOM 0 H THR A 51 9.973 14.350 16.481 1.00 15.34 H new ATOM 0 HA THR A 51 9.214 11.620 17.280 1.00 35.23 H new ATOM 0 HB THR A 51 11.472 12.880 18.686 1.00 33.02 H new ATOM 0 HG1 THR A 51 12.891 12.697 16.830 1.00 41.34 H new ATOM 0 HG21 THR A 51 12.554 10.730 18.146 1.00 34.01 H new ATOM 0 HG22 THR A 51 10.934 10.494 18.844 1.00 34.01 H new ATOM 0 HG23 THR A 51 11.183 10.310 17.092 1.00 34.01 H new ATOM 739 N TRP A 52 8.411 12.209 19.580 1.00 71.22 N ATOM 740 CA TRP A 52 7.765 12.588 20.832 1.00 44.24 C ATOM 741 C TRP A 52 8.568 12.094 22.030 1.00 63.13 C ATOM 742 O TRP A 52 9.069 10.969 22.032 1.00 52.22 O ATOM 743 CB TRP A 52 6.344 12.026 20.887 1.00 21.22 C ATOM 744 CG TRP A 52 5.321 12.937 20.280 1.00 73.34 C ATOM 745 CD1 TRP A 52 4.647 13.946 20.906 1.00 72.00 C ATOM 746 CD2 TRP A 52 4.854 12.919 18.926 1.00 11.42 C ATOM 747 NE1 TRP A 52 3.789 14.557 20.023 1.00 2.34 N ATOM 748 CE2 TRP A 52 3.898 13.947 18.802 1.00 21.31 C ATOM 749 CE3 TRP A 52 5.152 12.138 17.807 1.00 72.13 C ATOM 750 CZ2 TRP A 52 3.239 14.209 17.604 1.00 43.21 C ATOM 751 CZ3 TRP A 52 4.497 12.400 16.618 1.00 31.44 C ATOM 752 CH2 TRP A 52 3.550 13.428 16.524 1.00 43.40 C ATOM 0 H TRP A 52 8.328 11.220 19.345 1.00 71.22 H new ATOM 0 HA TRP A 52 7.719 13.676 20.874 1.00 44.24 H new ATOM 0 HB2 TRP A 52 6.320 11.068 20.368 1.00 21.22 H new ATOM 0 HB3 TRP A 52 6.077 11.833 21.926 1.00 21.22 H new ATOM 0 HD1 TRP A 52 4.770 14.223 21.943 1.00 72.00 H new ATOM 0 HE1 TRP A 52 3.171 15.338 20.242 1.00 2.34 H new ATOM 0 HE3 TRP A 52 5.881 11.344 17.869 1.00 72.13 H new ATOM 0 HZ2 TRP A 52 2.508 15.001 17.530 1.00 43.21 H new ATOM 0 HZ3 TRP A 52 4.719 11.802 15.747 1.00 31.44 H new ATOM 0 HH2 TRP A 52 3.056 13.608 15.581 1.00 43.40 H new ATOM 763 N SER A 53 8.687 12.941 23.047 1.00 23.22 N ATOM 764 CA SER A 53 9.433 12.590 24.250 1.00 11.43 C ATOM 765 C SER A 53 8.841 13.279 25.476 1.00 32.23 C ATOM 766 O SER A 53 8.900 14.502 25.604 1.00 31.33 O ATOM 767 CB SER A 53 10.905 12.978 24.095 1.00 53.02 C ATOM 768 OG SER A 53 11.716 11.832 23.904 1.00 5.30 O ATOM 0 H SER A 53 8.277 13.875 23.062 1.00 23.22 H new ATOM 0 HA SER A 53 9.362 11.511 24.390 1.00 11.43 H new ATOM 0 HB2 SER A 53 11.019 13.654 23.247 1.00 53.02 H new ATOM 0 HB3 SER A 53 11.237 13.519 24.981 1.00 53.02 H new ATOM 0 HG SER A 53 12.652 12.106 23.806 1.00 5.30 H new ATOM 774 N SER A 54 8.270 12.484 26.376 1.00 74.25 N ATOM 775 CA SER A 54 7.663 13.016 27.590 1.00 33.41 C ATOM 776 C SER A 54 8.335 12.437 28.832 1.00 74.25 C ATOM 777 O SER A 54 8.899 11.344 28.793 1.00 60.43 O ATOM 778 CB SER A 54 6.165 12.705 27.615 1.00 31.22 C ATOM 779 OG SER A 54 5.726 12.415 28.931 1.00 1.32 O ATOM 0 H SER A 54 8.215 11.469 26.287 1.00 74.25 H new ATOM 0 HA SER A 54 7.803 14.097 27.593 1.00 33.41 H new ATOM 0 HB2 SER A 54 5.607 13.555 27.221 1.00 31.22 H new ATOM 0 HB3 SER A 54 5.956 11.857 26.963 1.00 31.22 H new ATOM 0 HG SER A 54 4.765 12.221 28.920 1.00 1.32 H new ATOM 785 N SER A 55 8.269 13.179 29.932 1.00 23.24 N ATOM 786 CA SER A 55 8.874 12.742 31.185 1.00 2.54 C ATOM 787 C SER A 55 8.412 11.335 31.551 1.00 51.14 C ATOM 788 O SER A 55 9.164 10.370 31.421 1.00 54.02 O ATOM 789 CB SER A 55 8.522 13.716 32.312 1.00 24.42 C ATOM 790 OG SER A 55 9.344 14.869 32.265 1.00 50.33 O ATOM 0 H SER A 55 7.803 14.085 29.982 1.00 23.24 H new ATOM 0 HA SER A 55 9.956 12.726 31.051 1.00 2.54 H new ATOM 0 HB2 SER A 55 7.475 14.008 32.230 1.00 24.42 H new ATOM 0 HB3 SER A 55 8.640 13.220 33.275 1.00 24.42 H new ATOM 0 HG SER A 55 9.098 15.476 32.994 1.00 50.33 H new ATOM 796 N ASN A 56 7.169 11.228 32.008 1.00 32.34 N ATOM 797 CA ASN A 56 6.605 9.939 32.394 1.00 51.04 C ATOM 798 C ASN A 56 6.614 8.968 31.217 1.00 74.10 C ATOM 799 O ASN A 56 6.119 9.284 30.136 1.00 53.24 O ATOM 800 CB ASN A 56 5.176 10.118 32.911 1.00 42.20 C ATOM 801 CG ASN A 56 5.138 10.661 34.326 1.00 13.05 C ATOM 802 OD1 ASN A 56 4.884 11.958 34.456 1.00 63.41 O flip ATOM 803 ND2 ASN A 56 5.333 9.923 35.292 1.00 43.12 N flip ATOM 0 H ASN A 56 6.533 12.017 32.120 1.00 32.34 H new ATOM 0 HA ASN A 56 7.223 9.524 33.190 1.00 51.04 H new ATOM 0 HB2 ASN A 56 4.635 10.795 32.250 1.00 42.20 H new ATOM 0 HB3 ASN A 56 4.658 9.160 32.878 1.00 42.20 H new ATOM 0 HD21 ASN A 56 5.525 8.932 35.146 1.00 43.12 H new ATOM 0 HD22 ASN A 56 5.303 10.303 36.238 1.00 43.12 H new ATOM 810 N GLN A 57 7.179 7.785 31.437 1.00 12.20 N ATOM 811 CA GLN A 57 7.252 6.768 30.395 1.00 53.23 C ATOM 812 C GLN A 57 5.873 6.182 30.109 1.00 40.03 C ATOM 813 O GLN A 57 5.600 5.726 28.999 1.00 72.34 O ATOM 814 CB GLN A 57 8.217 5.655 30.806 1.00 40.04 C ATOM 815 CG GLN A 57 9.531 5.676 30.041 1.00 74.23 C ATOM 816 CD GLN A 57 9.868 4.333 29.424 1.00 71.24 C ATOM 817 OE1 GLN A 57 10.404 3.447 30.090 1.00 2.43 O ATOM 818 NE2 GLN A 57 9.554 4.174 28.143 1.00 65.00 N ATOM 0 H GLN A 57 7.593 7.508 32.327 1.00 12.20 H new ATOM 0 HA GLN A 57 7.621 7.242 29.485 1.00 53.23 H new ATOM 0 HB2 GLN A 57 8.426 5.742 31.872 1.00 40.04 H new ATOM 0 HB3 GLN A 57 7.733 4.691 30.653 1.00 40.04 H new ATOM 0 HG2 GLN A 57 9.478 6.430 29.255 1.00 74.23 H new ATOM 0 HG3 GLN A 57 10.335 5.974 30.714 1.00 74.23 H new ATOM 0 HE21 GLN A 57 9.110 4.935 27.628 1.00 65.00 H new ATOM 0 HE22 GLN A 57 9.756 3.291 27.674 1.00 65.00 H new ATOM 827 N SER A 58 5.008 6.197 31.118 1.00 51.52 N ATOM 828 CA SER A 58 3.658 5.663 30.976 1.00 45.51 C ATOM 829 C SER A 58 2.750 6.664 30.268 1.00 11.11 C ATOM 830 O SER A 58 1.981 6.299 29.379 1.00 23.11 O ATOM 831 CB SER A 58 3.079 5.313 32.348 1.00 61.13 C ATOM 832 OG SER A 58 3.520 4.036 32.776 1.00 14.13 O ATOM 0 H SER A 58 5.218 6.573 32.043 1.00 51.52 H new ATOM 0 HA SER A 58 3.713 4.758 30.371 1.00 45.51 H new ATOM 0 HB2 SER A 58 3.378 6.067 33.076 1.00 61.13 H new ATOM 0 HB3 SER A 58 1.990 5.329 32.302 1.00 61.13 H new ATOM 0 HG SER A 58 3.138 3.836 33.656 1.00 14.13 H new ATOM 838 N GLN A 59 2.845 7.927 30.670 1.00 1.41 N ATOM 839 CA GLN A 59 2.031 8.981 30.075 1.00 5.12 C ATOM 840 C GLN A 59 2.620 9.438 28.744 1.00 20.53 C ATOM 841 O GLN A 59 2.015 10.235 28.028 1.00 5.01 O ATOM 842 CB GLN A 59 1.920 10.170 31.032 1.00 60.25 C ATOM 843 CG GLN A 59 1.368 9.801 32.399 1.00 72.21 C ATOM 844 CD GLN A 59 2.022 10.580 33.522 1.00 5.14 C ATOM 845 OE1 GLN A 59 2.373 11.749 33.360 1.00 1.33 O ATOM 846 NE2 GLN A 59 2.191 9.935 34.671 1.00 51.12 N ATOM 0 H GLN A 59 3.477 8.246 31.405 1.00 1.41 H new ATOM 0 HA GLN A 59 1.036 8.577 29.891 1.00 5.12 H new ATOM 0 HB2 GLN A 59 2.905 10.619 31.156 1.00 60.25 H new ATOM 0 HB3 GLN A 59 1.279 10.928 30.583 1.00 60.25 H new ATOM 0 HG2 GLN A 59 0.293 9.983 32.414 1.00 72.21 H new ATOM 0 HG3 GLN A 59 1.513 8.734 32.569 1.00 72.21 H new ATOM 0 HE21 GLN A 59 1.885 8.966 34.762 1.00 51.12 H new ATOM 0 HE22 GLN A 59 2.627 10.409 35.462 1.00 51.12 H new ATOM 855 N ALA A 60 3.803 8.927 28.420 1.00 62.51 N ATOM 856 CA ALA A 60 4.473 9.280 27.174 1.00 14.44 C ATOM 857 C ALA A 60 3.853 8.546 25.990 1.00 24.53 C ATOM 858 O ALA A 60 4.526 7.777 25.302 1.00 11.24 O ATOM 859 CB ALA A 60 5.960 8.974 27.269 1.00 11.10 C ATOM 0 H ALA A 60 4.318 8.267 29.003 1.00 62.51 H new ATOM 0 HA ALA A 60 4.344 10.350 27.011 1.00 14.44 H new ATOM 0 HB1 ALA A 60 6.447 9.243 26.332 1.00 11.10 H new ATOM 0 HB2 ALA A 60 6.399 9.550 28.084 1.00 11.10 H new ATOM 0 HB3 ALA A 60 6.101 7.910 27.459 1.00 11.10 H new ATOM 865 N LYS A 61 2.567 8.785 25.758 1.00 44.51 N ATOM 866 CA LYS A 61 1.856 8.147 24.656 1.00 4.25 C ATOM 867 C LYS A 61 1.328 9.188 23.674 1.00 22.22 C ATOM 868 O LYS A 61 0.833 10.241 24.076 1.00 33.43 O ATOM 869 CB LYS A 61 0.699 7.302 25.192 1.00 75.33 C ATOM 870 CG LYS A 61 1.004 5.815 25.241 1.00 34.44 C ATOM 871 CD LYS A 61 1.769 5.444 26.501 1.00 41.23 C ATOM 872 CE LYS A 61 2.967 4.562 26.185 1.00 22.14 C ATOM 873 NZ LYS A 61 2.565 3.309 25.489 1.00 61.51 N ATOM 0 H LYS A 61 1.995 9.416 26.319 1.00 44.51 H new ATOM 0 HA LYS A 61 2.557 7.500 24.129 1.00 4.25 H new ATOM 0 HB2 LYS A 61 0.443 7.645 26.194 1.00 75.33 H new ATOM 0 HB3 LYS A 61 -0.179 7.464 24.566 1.00 75.33 H new ATOM 0 HG2 LYS A 61 0.073 5.250 25.200 1.00 34.44 H new ATOM 0 HG3 LYS A 61 1.587 5.533 24.364 1.00 34.44 H new ATOM 0 HD2 LYS A 61 2.106 6.351 27.004 1.00 41.23 H new ATOM 0 HD3 LYS A 61 1.105 4.924 27.192 1.00 41.23 H new ATOM 0 HE2 LYS A 61 3.670 5.114 25.561 1.00 22.14 H new ATOM 0 HE3 LYS A 61 3.488 4.313 27.109 1.00 22.14 H new ATOM 0 HZ1 LYS A 61 3.345 2.623 25.531 1.00 61.51 H new ATOM 0 HZ2 LYS A 61 1.725 2.908 25.954 1.00 61.51 H new ATOM 0 HZ3 LYS A 61 2.343 3.520 24.495 1.00 61.51 H new ATOM 887 N VAL A 62 1.436 8.886 22.384 1.00 21.32 N ATOM 888 CA VAL A 62 0.967 9.794 21.344 1.00 30.15 C ATOM 889 C VAL A 62 0.219 9.039 20.251 1.00 23.54 C ATOM 890 O VAL A 62 0.515 7.877 19.972 1.00 32.30 O ATOM 891 CB VAL A 62 2.135 10.571 20.709 1.00 1.11 C ATOM 892 CG1 VAL A 62 2.806 11.465 21.741 1.00 71.00 C ATOM 893 CG2 VAL A 62 3.139 9.611 20.090 1.00 24.32 C ATOM 0 H VAL A 62 1.844 8.019 22.034 1.00 21.32 H new ATOM 0 HA VAL A 62 0.288 10.500 21.823 1.00 30.15 H new ATOM 0 HB VAL A 62 1.738 11.206 19.917 1.00 1.11 H new ATOM 0 HG11 VAL A 62 3.629 12.006 21.274 1.00 71.00 H new ATOM 0 HG12 VAL A 62 2.080 12.177 22.133 1.00 71.00 H new ATOM 0 HG13 VAL A 62 3.191 10.853 22.557 1.00 71.00 H new ATOM 0 HG21 VAL A 62 3.958 10.177 19.646 1.00 24.32 H new ATOM 0 HG22 VAL A 62 3.532 8.949 20.861 1.00 24.32 H new ATOM 0 HG23 VAL A 62 2.648 9.018 19.319 1.00 24.32 H new ATOM 903 N SER A 63 -0.751 9.707 19.635 1.00 23.35 N ATOM 904 CA SER A 63 -1.544 9.097 18.574 1.00 1.53 C ATOM 905 C SER A 63 -1.122 9.628 17.208 1.00 43.14 C ATOM 906 O SER A 63 -1.922 10.220 16.485 1.00 12.12 O ATOM 907 CB SER A 63 -3.032 9.368 18.802 1.00 54.55 C ATOM 908 OG SER A 63 -3.830 8.346 18.229 1.00 0.53 O ATOM 0 H SER A 63 -1.007 10.670 19.852 1.00 23.35 H new ATOM 0 HA SER A 63 -1.370 8.021 18.596 1.00 1.53 H new ATOM 0 HB2 SER A 63 -3.233 9.434 19.871 1.00 54.55 H new ATOM 0 HB3 SER A 63 -3.301 10.331 18.367 1.00 54.55 H new ATOM 0 HG SER A 63 -4.777 8.541 18.390 1.00 0.53 H new ATOM 914 N ASN A 64 0.143 9.411 16.860 1.00 32.24 N ATOM 915 CA ASN A 64 0.673 9.867 15.581 1.00 42.22 C ATOM 916 C ASN A 64 0.307 8.896 14.463 1.00 64.23 C ATOM 917 O ASN A 64 1.131 8.088 14.034 1.00 42.41 O ATOM 918 CB ASN A 64 2.193 10.021 15.661 1.00 44.00 C ATOM 919 CG ASN A 64 2.865 8.810 16.279 1.00 43.01 C ATOM 920 OD1 ASN A 64 2.267 7.739 16.381 1.00 31.00 O ATOM 921 ND2 ASN A 64 4.116 8.975 16.695 1.00 55.22 N ATOM 0 H ASN A 64 0.819 8.922 17.446 1.00 32.24 H new ATOM 0 HA ASN A 64 0.228 10.836 15.356 1.00 42.22 H new ATOM 0 HB2 ASN A 64 2.592 10.183 14.660 1.00 44.00 H new ATOM 0 HB3 ASN A 64 2.435 10.907 16.248 1.00 44.00 H new ATOM 0 HD21 ASN A 64 4.619 8.196 17.119 1.00 55.22 H new ATOM 0 HD22 ASN A 64 4.573 9.881 16.590 1.00 55.22 H new ATOM 928 N ALA A 65 -0.934 8.981 13.995 1.00 64.12 N ATOM 929 CA ALA A 65 -1.408 8.112 12.925 1.00 20.21 C ATOM 930 C ALA A 65 -1.739 8.915 11.672 1.00 62.35 C ATOM 931 O ALA A 65 -1.224 8.634 10.589 1.00 5.34 O ATOM 932 CB ALA A 65 -2.625 7.324 13.386 1.00 71.30 C ATOM 0 H ALA A 65 -1.629 9.643 14.340 1.00 64.12 H new ATOM 0 HA ALA A 65 -0.609 7.413 12.676 1.00 20.21 H new ATOM 0 HB1 ALA A 65 -2.969 6.679 12.577 1.00 71.30 H new ATOM 0 HB2 ALA A 65 -2.358 6.713 14.248 1.00 71.30 H new ATOM 0 HB3 ALA A 65 -3.422 8.014 13.663 1.00 71.30 H new ATOM 938 N SER A 66 -2.602 9.914 11.825 1.00 60.31 N ATOM 939 CA SER A 66 -3.005 10.755 10.704 1.00 71.52 C ATOM 940 C SER A 66 -1.874 11.694 10.295 1.00 73.41 C ATOM 941 O SER A 66 -1.920 12.310 9.231 1.00 61.11 O ATOM 942 CB SER A 66 -4.250 11.565 11.069 1.00 41.52 C ATOM 943 OG SER A 66 -5.099 11.730 9.946 1.00 22.01 O ATOM 0 H SER A 66 -3.036 10.161 12.715 1.00 60.31 H new ATOM 0 HA SER A 66 -3.238 10.106 9.860 1.00 71.52 H new ATOM 0 HB2 SER A 66 -4.793 11.062 11.869 1.00 41.52 H new ATOM 0 HB3 SER A 66 -3.953 12.542 11.451 1.00 41.52 H new ATOM 0 HG SER A 66 -5.888 12.250 10.206 1.00 22.01 H new ATOM 949 N GLU A 67 -0.861 11.796 11.149 1.00 42.30 N ATOM 950 CA GLU A 67 0.282 12.661 10.877 1.00 33.22 C ATOM 951 C GLU A 67 -0.121 14.131 10.944 1.00 3.30 C ATOM 952 O GLU A 67 0.659 15.017 10.592 1.00 53.34 O ATOM 953 CB GLU A 67 0.873 12.344 9.502 1.00 50.52 C ATOM 954 CG GLU A 67 2.296 12.846 9.321 1.00 12.01 C ATOM 955 CD GLU A 67 3.124 11.942 8.429 1.00 23.23 C ATOM 956 OE1 GLU A 67 2.545 11.313 7.519 1.00 21.34 O ATOM 957 OE2 GLU A 67 4.353 11.864 8.642 1.00 74.13 O ATOM 0 H GLU A 67 -0.808 11.291 12.034 1.00 42.30 H new ATOM 0 HA GLU A 67 1.037 12.474 11.640 1.00 33.22 H new ATOM 0 HB2 GLU A 67 0.855 11.265 9.348 1.00 50.52 H new ATOM 0 HB3 GLU A 67 0.240 12.786 8.733 1.00 50.52 H new ATOM 0 HG2 GLU A 67 2.272 13.849 8.894 1.00 12.01 H new ATOM 0 HG3 GLU A 67 2.776 12.926 10.296 1.00 12.01 H new ATOM 964 N THR A 68 -1.344 14.384 11.399 1.00 72.04 N ATOM 965 CA THR A 68 -1.852 15.746 11.510 1.00 21.54 C ATOM 966 C THR A 68 -2.468 15.992 12.883 1.00 64.30 C ATOM 967 O THR A 68 -2.955 17.086 13.170 1.00 65.44 O ATOM 968 CB THR A 68 -2.906 16.043 10.427 1.00 63.11 C ATOM 969 OG1 THR A 68 -3.515 17.315 10.672 1.00 1.32 O ATOM 970 CG2 THR A 68 -3.974 14.960 10.399 1.00 0.34 C ATOM 0 H THR A 68 -2.001 13.663 11.697 1.00 72.04 H new ATOM 0 HA THR A 68 -1.001 16.413 11.371 1.00 21.54 H new ATOM 0 HB THR A 68 -2.405 16.061 9.459 1.00 63.11 H new ATOM 0 HG1 THR A 68 -3.143 17.703 11.491 1.00 1.32 H new ATOM 0 HG21 THR A 68 -4.707 15.192 9.626 1.00 0.34 H new ATOM 0 HG22 THR A 68 -3.511 13.997 10.182 1.00 0.34 H new ATOM 0 HG23 THR A 68 -4.471 14.914 11.368 1.00 0.34 H new ATOM 978 N LYS A 69 -2.442 14.968 13.730 1.00 54.12 N ATOM 979 CA LYS A 69 -2.996 15.073 15.074 1.00 12.15 C ATOM 980 C LYS A 69 -1.909 15.425 16.085 1.00 50.23 C ATOM 981 O LYS A 69 -1.757 16.584 16.469 1.00 31.13 O ATOM 982 CB LYS A 69 -3.672 13.760 15.474 1.00 73.52 C ATOM 983 CG LYS A 69 -5.106 13.641 14.988 1.00 55.31 C ATOM 984 CD LYS A 69 -5.986 12.944 16.012 1.00 55.12 C ATOM 985 CE LYS A 69 -7.437 12.895 15.558 1.00 35.14 C ATOM 986 NZ LYS A 69 -7.717 11.695 14.721 1.00 4.52 N ATOM 0 H LYS A 69 -2.043 14.056 13.509 1.00 54.12 H new ATOM 0 HA LYS A 69 -3.738 15.871 15.072 1.00 12.15 H new ATOM 0 HB2 LYS A 69 -3.092 12.927 15.076 1.00 73.52 H new ATOM 0 HB3 LYS A 69 -3.657 13.669 16.560 1.00 73.52 H new ATOM 0 HG2 LYS A 69 -5.504 14.634 14.781 1.00 55.31 H new ATOM 0 HG3 LYS A 69 -5.128 13.086 14.050 1.00 55.31 H new ATOM 0 HD2 LYS A 69 -5.621 11.930 16.177 1.00 55.12 H new ATOM 0 HD3 LYS A 69 -5.920 13.466 16.966 1.00 55.12 H new ATOM 0 HE2 LYS A 69 -8.090 12.890 16.430 1.00 35.14 H new ATOM 0 HE3 LYS A 69 -7.670 13.796 14.991 1.00 35.14 H new ATOM 0 HZ1 LYS A 69 -8.716 11.699 14.432 1.00 4.52 H new ATOM 0 HZ2 LYS A 69 -7.112 11.713 13.875 1.00 4.52 H new ATOM 0 HZ3 LYS A 69 -7.519 10.835 15.270 1.00 4.52 H new ATOM 1000 N GLY A 70 -1.153 14.417 16.510 1.00 14.00 N ATOM 1001 CA GLY A 70 -0.089 14.642 17.471 1.00 71.44 C ATOM 1002 C GLY A 70 -0.576 14.565 18.904 1.00 30.30 C ATOM 1003 O GLY A 70 0.216 14.657 19.843 1.00 42.13 O ATOM 0 H GLY A 70 -1.258 13.449 16.206 1.00 14.00 H new ATOM 0 HA2 GLY A 70 0.697 13.903 17.318 1.00 71.44 H new ATOM 0 HA3 GLY A 70 0.355 15.621 17.294 1.00 71.44 H new ATOM 1007 N LEU A 71 -1.883 14.397 19.075 1.00 63.00 N ATOM 1008 CA LEU A 71 -2.475 14.309 20.405 1.00 13.51 C ATOM 1009 C LEU A 71 -1.626 13.437 21.323 1.00 21.53 C ATOM 1010 O LEU A 71 -0.908 12.549 20.864 1.00 64.44 O ATOM 1011 CB LEU A 71 -3.895 13.746 20.317 1.00 43.25 C ATOM 1012 CG LEU A 71 -4.006 12.230 20.152 1.00 11.01 C ATOM 1013 CD1 LEU A 71 -4.074 11.549 21.510 1.00 3.33 C ATOM 1014 CD2 LEU A 71 -5.224 11.873 19.313 1.00 33.31 C ATOM 0 H LEU A 71 -2.552 14.319 18.309 1.00 63.00 H new ATOM 0 HA LEU A 71 -2.515 15.314 20.825 1.00 13.51 H new ATOM 0 HB2 LEU A 71 -4.435 14.034 21.219 1.00 43.25 H new ATOM 0 HB3 LEU A 71 -4.401 14.221 19.477 1.00 43.25 H new ATOM 0 HG LEU A 71 -3.116 11.874 19.634 1.00 11.01 H new ATOM 0 HD11 LEU A 71 -4.153 10.471 21.373 1.00 3.33 H new ATOM 0 HD12 LEU A 71 -3.172 11.778 22.077 1.00 3.33 H new ATOM 0 HD13 LEU A 71 -4.946 11.910 22.055 1.00 3.33 H new ATOM 0 HD21 LEU A 71 -5.287 10.790 19.206 1.00 33.31 H new ATOM 0 HD22 LEU A 71 -6.125 12.242 19.803 1.00 33.31 H new ATOM 0 HD23 LEU A 71 -5.134 12.330 18.328 1.00 33.31 H new ATOM 1026 N VAL A 72 -1.715 13.694 22.624 1.00 24.45 N ATOM 1027 CA VAL A 72 -0.957 12.929 23.608 1.00 0.42 C ATOM 1028 C VAL A 72 -1.852 12.466 24.752 1.00 30.00 C ATOM 1029 O VAL A 72 -2.569 13.264 25.357 1.00 73.40 O ATOM 1030 CB VAL A 72 0.208 13.756 24.185 1.00 70.42 C ATOM 1031 CG1 VAL A 72 -0.314 15.012 24.866 1.00 62.23 C ATOM 1032 CG2 VAL A 72 1.028 12.916 25.153 1.00 41.23 C ATOM 0 H VAL A 72 -2.304 14.426 23.021 1.00 24.45 H new ATOM 0 HA VAL A 72 -0.554 12.058 23.090 1.00 0.42 H new ATOM 0 HB VAL A 72 0.857 14.061 23.364 1.00 70.42 H new ATOM 0 HG11 VAL A 72 0.523 15.583 25.267 1.00 62.23 H new ATOM 0 HG12 VAL A 72 -0.854 15.621 24.141 1.00 62.23 H new ATOM 0 HG13 VAL A 72 -0.985 14.733 25.678 1.00 62.23 H new ATOM 0 HG21 VAL A 72 1.847 13.515 25.551 1.00 41.23 H new ATOM 0 HG22 VAL A 72 0.392 12.580 25.972 1.00 41.23 H new ATOM 0 HG23 VAL A 72 1.433 12.050 24.630 1.00 41.23 H new ATOM 1042 N THR A 73 -1.805 11.170 25.045 1.00 14.01 N ATOM 1043 CA THR A 73 -2.612 10.599 26.116 1.00 12.12 C ATOM 1044 C THR A 73 -1.752 10.248 27.325 1.00 14.51 C ATOM 1045 O THR A 73 -0.568 9.944 27.190 1.00 51.24 O ATOM 1046 CB THR A 73 -3.357 9.335 25.646 1.00 2.31 C ATOM 1047 OG1 THR A 73 -3.610 9.411 24.239 1.00 70.13 O ATOM 1048 CG2 THR A 73 -4.671 9.171 26.395 1.00 42.32 C ATOM 0 H THR A 73 -1.216 10.496 24.555 1.00 14.01 H new ATOM 0 HA THR A 73 -3.342 11.357 26.400 1.00 12.12 H new ATOM 0 HB THR A 73 -2.728 8.470 25.856 1.00 2.31 H new ATOM 0 HG1 THR A 73 -4.082 8.603 23.947 1.00 70.13 H new ATOM 0 HG21 THR A 73 -5.179 8.272 26.046 1.00 42.32 H new ATOM 0 HG22 THR A 73 -4.473 9.084 27.463 1.00 42.32 H new ATOM 0 HG23 THR A 73 -5.304 10.039 26.213 1.00 42.32 H new ATOM 1056 N GLY A 74 -2.357 10.292 28.509 1.00 51.54 N ATOM 1057 CA GLY A 74 -1.631 9.976 29.725 1.00 51.33 C ATOM 1058 C GLY A 74 -2.213 8.782 30.454 1.00 74.45 C ATOM 1059 O GLY A 74 -3.399 8.479 30.315 1.00 10.31 O ATOM 0 H GLY A 74 -3.337 10.541 28.647 1.00 51.54 H new ATOM 0 HA2 GLY A 74 -0.588 9.775 29.480 1.00 51.33 H new ATOM 0 HA3 GLY A 74 -1.642 10.842 30.386 1.00 51.33 H new ATOM 1063 N ILE A 75 -1.378 8.100 31.230 1.00 33.22 N ATOM 1064 CA ILE A 75 -1.817 6.931 31.983 1.00 55.24 C ATOM 1065 C ILE A 75 -2.078 7.284 33.443 1.00 32.21 C ATOM 1066 O ILE A 75 -3.090 6.884 34.018 1.00 72.44 O ATOM 1067 CB ILE A 75 -0.778 5.797 31.918 1.00 60.42 C ATOM 1068 CG1 ILE A 75 -0.542 5.374 30.466 1.00 31.23 C ATOM 1069 CG2 ILE A 75 -1.236 4.610 32.753 1.00 0.30 C ATOM 1070 CD1 ILE A 75 -1.758 4.758 29.811 1.00 35.11 C ATOM 0 H ILE A 75 -0.394 8.336 31.354 1.00 33.22 H new ATOM 0 HA ILE A 75 -2.744 6.589 31.523 1.00 55.24 H new ATOM 0 HB ILE A 75 0.163 6.163 32.328 1.00 60.42 H new ATOM 0 HG12 ILE A 75 -0.230 6.244 29.889 1.00 31.23 H new ATOM 0 HG13 ILE A 75 0.280 4.659 30.433 1.00 31.23 H new ATOM 0 HG21 ILE A 75 -0.491 3.817 32.697 1.00 0.30 H new ATOM 0 HG22 ILE A 75 -1.358 4.921 33.791 1.00 0.30 H new ATOM 0 HG23 ILE A 75 -2.188 4.242 32.370 1.00 0.30 H new ATOM 0 HD11 ILE A 75 -1.518 4.482 28.784 1.00 35.11 H new ATOM 0 HD12 ILE A 75 -2.058 3.868 30.365 1.00 35.11 H new ATOM 0 HD13 ILE A 75 -2.576 5.479 29.811 1.00 35.11 H new ATOM 1082 N ALA A 76 -1.159 8.037 34.037 1.00 2.15 N ATOM 1083 CA ALA A 76 -1.291 8.447 35.430 1.00 41.41 C ATOM 1084 C ALA A 76 -1.562 9.944 35.538 1.00 40.12 C ATOM 1085 O ALA A 76 -1.500 10.669 34.545 1.00 73.02 O ATOM 1086 CB ALA A 76 -0.038 8.078 36.210 1.00 42.30 C ATOM 0 H ALA A 76 -0.315 8.376 33.576 1.00 2.15 H new ATOM 0 HA ALA A 76 -2.142 7.918 35.860 1.00 41.41 H new ATOM 0 HB1 ALA A 76 -0.151 8.390 37.248 1.00 42.30 H new ATOM 0 HB2 ALA A 76 0.111 6.999 36.170 1.00 42.30 H new ATOM 0 HB3 ALA A 76 0.824 8.580 35.772 1.00 42.30 H new ATOM 1092 N SER A 77 -1.863 10.400 36.749 1.00 1.54 N ATOM 1093 CA SER A 77 -2.148 11.811 36.986 1.00 71.21 C ATOM 1094 C SER A 77 -0.874 12.645 36.896 1.00 1.15 C ATOM 1095 O SER A 77 0.199 12.129 36.586 1.00 51.21 O ATOM 1096 CB SER A 77 -2.799 11.998 38.358 1.00 43.32 C ATOM 1097 OG SER A 77 -3.088 10.749 38.960 1.00 24.43 O ATOM 0 H SER A 77 -1.916 9.813 37.582 1.00 1.54 H new ATOM 0 HA SER A 77 -2.839 12.152 36.215 1.00 71.21 H new ATOM 0 HB2 SER A 77 -2.134 12.571 39.004 1.00 43.32 H new ATOM 0 HB3 SER A 77 -3.717 12.575 38.252 1.00 43.32 H new ATOM 0 HG SER A 77 -4.051 10.683 39.131 1.00 24.43 H new ATOM 1103 N GLY A 78 -1.001 13.940 37.171 1.00 30.14 N ATOM 1104 CA GLY A 78 0.147 14.826 37.117 1.00 51.14 C ATOM 1105 C GLY A 78 0.154 15.689 35.870 1.00 23.22 C ATOM 1106 O GLY A 78 -0.711 15.551 35.007 1.00 60.22 O ATOM 0 H GLY A 78 -1.878 14.391 37.430 1.00 30.14 H new ATOM 0 HA2 GLY A 78 0.150 15.467 37.999 1.00 51.14 H new ATOM 0 HA3 GLY A 78 1.061 14.234 37.151 1.00 51.14 H new ATOM 1110 N ASN A 79 1.133 16.583 35.777 1.00 24.30 N ATOM 1111 CA ASN A 79 1.248 17.473 34.628 1.00 44.32 C ATOM 1112 C ASN A 79 2.503 17.159 33.819 1.00 22.52 C ATOM 1113 O ASN A 79 3.495 17.886 33.858 1.00 45.44 O ATOM 1114 CB ASN A 79 1.277 18.932 35.088 1.00 41.32 C ATOM 1115 CG ASN A 79 -0.089 19.588 35.017 1.00 65.22 C ATOM 1116 OD1 ASN A 79 -0.920 19.334 36.021 1.00 12.34 O flip ATOM 1117 ND2 ASN A 79 -0.392 20.314 34.070 1.00 65.31 N flip ATOM 0 H ASN A 79 1.858 16.710 36.483 1.00 24.30 H new ATOM 0 HA ASN A 79 0.378 17.316 33.991 1.00 44.32 H new ATOM 0 HB2 ASN A 79 1.647 18.980 36.112 1.00 41.32 H new ATOM 0 HB3 ASN A 79 1.978 19.491 34.469 1.00 41.32 H new ATOM 0 HD21 ASN A 79 0.279 20.481 33.320 1.00 65.31 H new ATOM 0 HD22 ASN A 79 -1.314 20.748 34.035 1.00 65.31 H new ATOM 1124 N PRO A 80 2.460 16.048 33.068 1.00 0.10 N ATOM 1125 CA PRO A 80 3.584 15.612 32.235 1.00 64.13 C ATOM 1126 C PRO A 80 3.810 16.530 31.038 1.00 11.24 C ATOM 1127 O PRO A 80 2.887 16.805 30.270 1.00 3.03 O ATOM 1128 CB PRO A 80 3.159 14.218 31.766 1.00 12.12 C ATOM 1129 CG PRO A 80 1.670 14.238 31.820 1.00 2.45 C ATOM 1130 CD PRO A 80 1.310 15.133 32.974 1.00 50.30 C ATOM 0 HA PRO A 80 4.526 15.624 32.784 1.00 64.13 H new ATOM 0 HB2 PRO A 80 3.516 14.014 30.756 1.00 12.12 H new ATOM 0 HB3 PRO A 80 3.568 13.441 32.412 1.00 12.12 H new ATOM 0 HG2 PRO A 80 1.251 14.616 30.887 1.00 2.45 H new ATOM 0 HG3 PRO A 80 1.271 13.234 31.965 1.00 2.45 H new ATOM 0 HD2 PRO A 80 0.381 15.673 32.789 1.00 50.30 H new ATOM 0 HD3 PRO A 80 1.172 14.566 33.894 1.00 50.30 H new ATOM 1138 N THR A 81 5.043 17.003 30.885 1.00 60.31 N ATOM 1139 CA THR A 81 5.390 17.891 29.782 1.00 35.35 C ATOM 1140 C THR A 81 5.808 17.099 28.549 1.00 22.42 C ATOM 1141 O THR A 81 6.717 16.270 28.612 1.00 73.35 O ATOM 1142 CB THR A 81 6.528 18.852 30.172 1.00 2.11 C ATOM 1143 OG1 THR A 81 6.551 19.035 31.592 1.00 31.42 O ATOM 1144 CG2 THR A 81 6.358 20.199 29.485 1.00 22.23 C ATOM 0 H THR A 81 5.818 16.786 31.511 1.00 60.31 H new ATOM 0 HA THR A 81 4.497 18.472 29.551 1.00 35.35 H new ATOM 0 HB THR A 81 7.471 18.413 29.848 1.00 2.11 H new ATOM 0 HG1 THR A 81 7.279 19.646 31.831 1.00 31.42 H new ATOM 0 HG21 THR A 81 7.174 20.861 29.776 1.00 22.23 H new ATOM 0 HG22 THR A 81 6.371 20.060 28.404 1.00 22.23 H new ATOM 0 HG23 THR A 81 5.407 20.642 29.783 1.00 22.23 H new ATOM 1152 N ILE A 82 5.141 17.359 27.430 1.00 44.21 N ATOM 1153 CA ILE A 82 5.447 16.671 26.182 1.00 54.23 C ATOM 1154 C ILE A 82 6.318 17.535 25.276 1.00 10.35 C ATOM 1155 O ILE A 82 5.978 18.681 24.981 1.00 50.22 O ATOM 1156 CB ILE A 82 4.163 16.285 25.423 1.00 11.13 C ATOM 1157 CG1 ILE A 82 3.281 15.386 26.293 1.00 4.41 C ATOM 1158 CG2 ILE A 82 4.509 15.590 24.115 1.00 4.01 C ATOM 1159 CD1 ILE A 82 2.021 16.066 26.781 1.00 4.14 C ATOM 0 H ILE A 82 4.385 18.041 27.362 1.00 44.21 H new ATOM 0 HA ILE A 82 5.990 15.764 26.447 1.00 54.23 H new ATOM 0 HB ILE A 82 3.608 17.194 25.193 1.00 11.13 H new ATOM 0 HG12 ILE A 82 3.008 14.498 25.723 1.00 4.41 H new ATOM 0 HG13 ILE A 82 3.858 15.047 27.153 1.00 4.41 H new ATOM 0 HG21 ILE A 82 3.591 15.324 23.591 1.00 4.01 H new ATOM 0 HG22 ILE A 82 5.101 16.261 23.492 1.00 4.01 H new ATOM 0 HG23 ILE A 82 5.083 14.687 24.323 1.00 4.01 H new ATOM 0 HD11 ILE A 82 1.445 15.370 27.391 1.00 4.14 H new ATOM 0 HD12 ILE A 82 2.286 16.938 27.378 1.00 4.14 H new ATOM 0 HD13 ILE A 82 1.423 16.380 25.926 1.00 4.14 H new ATOM 1171 N ILE A 83 7.442 16.978 24.839 1.00 74.45 N ATOM 1172 CA ILE A 83 8.360 17.696 23.964 1.00 2.33 C ATOM 1173 C ILE A 83 8.473 17.014 22.605 1.00 21.13 C ATOM 1174 O ILE A 83 8.662 15.801 22.522 1.00 33.44 O ATOM 1175 CB ILE A 83 9.763 17.805 24.590 1.00 45.14 C ATOM 1176 CG1 ILE A 83 9.674 18.396 25.998 1.00 14.30 C ATOM 1177 CG2 ILE A 83 10.671 18.653 23.710 1.00 32.35 C ATOM 1178 CD1 ILE A 83 9.040 19.769 26.038 1.00 40.33 C ATOM 0 H ILE A 83 7.739 16.032 25.077 1.00 74.45 H new ATOM 0 HA ILE A 83 7.951 18.697 23.831 1.00 2.33 H new ATOM 0 HB ILE A 83 10.190 16.805 24.663 1.00 45.14 H new ATOM 0 HG12 ILE A 83 9.099 17.720 26.631 1.00 14.30 H new ATOM 0 HG13 ILE A 83 10.676 18.455 26.423 1.00 14.30 H new ATOM 0 HG21 ILE A 83 11.659 18.721 24.165 1.00 32.35 H new ATOM 0 HG22 ILE A 83 10.756 18.193 22.725 1.00 32.35 H new ATOM 0 HG23 ILE A 83 10.249 19.653 23.608 1.00 32.35 H new ATOM 0 HD11 ILE A 83 9.010 20.126 27.067 1.00 40.33 H new ATOM 0 HD12 ILE A 83 9.627 20.459 25.432 1.00 40.33 H new ATOM 0 HD13 ILE A 83 8.025 19.713 25.644 1.00 40.33 H new ATOM 1190 N ALA A 84 8.358 17.803 21.542 1.00 61.41 N ATOM 1191 CA ALA A 84 8.451 17.275 20.186 1.00 1.41 C ATOM 1192 C ALA A 84 9.687 17.812 19.472 1.00 21.21 C ATOM 1193 O ALA A 84 9.888 19.023 19.380 1.00 14.51 O ATOM 1194 CB ALA A 84 7.195 17.618 19.399 1.00 35.34 C ATOM 0 H ALA A 84 8.200 18.809 21.593 1.00 61.41 H new ATOM 0 HA ALA A 84 8.542 16.191 20.250 1.00 1.41 H new ATOM 0 HB1 ALA A 84 7.278 17.218 18.389 1.00 35.34 H new ATOM 0 HB2 ALA A 84 6.326 17.182 19.892 1.00 35.34 H new ATOM 0 HB3 ALA A 84 7.079 18.701 19.352 1.00 35.34 H new ATOM 1200 N THR A 85 10.515 16.902 18.968 1.00 42.22 N ATOM 1201 CA THR A 85 11.733 17.284 18.264 1.00 72.14 C ATOM 1202 C THR A 85 11.619 16.994 16.771 1.00 31.25 C ATOM 1203 O THR A 85 11.340 15.864 16.368 1.00 12.42 O ATOM 1204 CB THR A 85 12.962 16.545 18.826 1.00 0.52 C ATOM 1205 OG1 THR A 85 12.996 16.667 20.253 1.00 71.34 O ATOM 1206 CG2 THR A 85 14.247 17.104 18.234 1.00 51.50 C ATOM 0 H THR A 85 10.364 15.895 19.034 1.00 42.22 H new ATOM 0 HA THR A 85 11.862 18.356 18.415 1.00 72.14 H new ATOM 0 HB THR A 85 12.882 15.493 18.553 1.00 0.52 H new ATOM 0 HG1 THR A 85 13.779 16.193 20.603 1.00 71.34 H new ATOM 0 HG21 THR A 85 15.101 16.567 18.646 1.00 51.50 H new ATOM 0 HG22 THR A 85 14.231 16.984 17.151 1.00 51.50 H new ATOM 0 HG23 THR A 85 14.331 18.162 18.481 1.00 51.50 H new ATOM 1214 N TYR A 86 11.837 18.019 15.956 1.00 41.40 N ATOM 1215 CA TYR A 86 11.757 17.874 14.507 1.00 1.43 C ATOM 1216 C TYR A 86 12.612 18.926 13.807 1.00 62.24 C ATOM 1217 O TYR A 86 12.259 20.103 13.766 1.00 51.52 O ATOM 1218 CB TYR A 86 10.305 17.989 14.042 1.00 54.33 C ATOM 1219 CG TYR A 86 9.509 19.033 14.792 1.00 32.15 C ATOM 1220 CD1 TYR A 86 8.880 18.725 15.993 1.00 41.44 C ATOM 1221 CD2 TYR A 86 9.386 20.327 14.302 1.00 45.22 C ATOM 1222 CE1 TYR A 86 8.151 19.676 16.681 1.00 24.43 C ATOM 1223 CE2 TYR A 86 8.661 21.284 14.985 1.00 40.45 C ATOM 1224 CZ TYR A 86 8.045 20.954 16.173 1.00 31.44 C ATOM 1225 OH TYR A 86 7.321 21.903 16.857 1.00 1.42 O ATOM 0 H TYR A 86 12.071 18.960 16.273 1.00 41.40 H new ATOM 0 HA TYR A 86 12.139 16.888 14.244 1.00 1.43 H new ATOM 0 HB2 TYR A 86 10.291 18.228 12.979 1.00 54.33 H new ATOM 0 HB3 TYR A 86 9.818 17.021 14.157 1.00 54.33 H new ATOM 0 HD1 TYR A 86 8.963 17.726 16.395 1.00 41.44 H new ATOM 0 HD2 TYR A 86 9.866 20.589 13.371 1.00 45.22 H new ATOM 0 HE1 TYR A 86 7.667 19.420 17.612 1.00 24.43 H new ATOM 0 HE2 TYR A 86 8.577 22.286 14.590 1.00 40.45 H new ATOM 0 HH TYR A 86 6.738 21.462 17.510 1.00 1.42 H new ATOM 1235 N GLY A 87 13.741 18.490 13.255 1.00 73.31 N ATOM 1236 CA GLY A 87 14.630 19.404 12.562 1.00 14.23 C ATOM 1237 C GLY A 87 15.247 20.429 13.493 1.00 31.01 C ATOM 1238 O GLY A 87 15.863 20.074 14.497 1.00 24.55 O ATOM 0 H GLY A 87 14.055 17.520 13.276 1.00 73.31 H new ATOM 0 HA2 GLY A 87 15.423 18.836 12.075 1.00 14.23 H new ATOM 0 HA3 GLY A 87 14.077 19.918 11.776 1.00 14.23 H new ATOM 1242 N SER A 88 15.083 21.705 13.158 1.00 31.14 N ATOM 1243 CA SER A 88 15.634 22.785 13.969 1.00 73.31 C ATOM 1244 C SER A 88 14.545 23.441 14.812 1.00 32.45 C ATOM 1245 O SER A 88 14.787 24.437 15.494 1.00 31.43 O ATOM 1246 CB SER A 88 16.302 23.831 13.076 1.00 44.34 C ATOM 1247 OG SER A 88 15.851 23.722 11.737 1.00 42.23 O ATOM 0 H SER A 88 14.573 22.016 12.331 1.00 31.14 H new ATOM 0 HA SER A 88 16.381 22.359 14.639 1.00 73.31 H new ATOM 0 HB2 SER A 88 16.085 24.829 13.456 1.00 44.34 H new ATOM 0 HB3 SER A 88 17.384 23.705 13.110 1.00 44.34 H new ATOM 0 HG SER A 88 16.292 24.403 11.187 1.00 42.23 H new ATOM 1253 N VAL A 89 13.343 22.874 14.761 1.00 43.21 N ATOM 1254 CA VAL A 89 12.216 23.402 15.520 1.00 21.23 C ATOM 1255 C VAL A 89 11.593 22.324 16.400 1.00 71.43 C ATOM 1256 O VAL A 89 11.543 21.153 16.023 1.00 70.13 O ATOM 1257 CB VAL A 89 11.133 23.979 14.589 1.00 21.14 C ATOM 1258 CG1 VAL A 89 10.135 24.810 15.382 1.00 62.24 C ATOM 1259 CG2 VAL A 89 11.768 24.806 13.482 1.00 5.43 C ATOM 0 H VAL A 89 13.125 22.049 14.202 1.00 43.21 H new ATOM 0 HA VAL A 89 12.606 24.201 16.150 1.00 21.23 H new ATOM 0 HB VAL A 89 10.595 23.151 14.129 1.00 21.14 H new ATOM 0 HG11 VAL A 89 9.377 25.210 14.708 1.00 62.24 H new ATOM 0 HG12 VAL A 89 9.657 24.183 16.135 1.00 62.24 H new ATOM 0 HG13 VAL A 89 10.655 25.633 15.872 1.00 62.24 H new ATOM 0 HG21 VAL A 89 10.988 25.206 12.834 1.00 5.43 H new ATOM 0 HG22 VAL A 89 12.333 25.629 13.921 1.00 5.43 H new ATOM 0 HG23 VAL A 89 12.439 24.177 12.897 1.00 5.43 H new ATOM 1269 N SER A 90 11.118 22.727 17.574 1.00 62.31 N ATOM 1270 CA SER A 90 10.501 21.794 18.510 1.00 55.25 C ATOM 1271 C SER A 90 9.238 22.394 19.121 1.00 50.23 C ATOM 1272 O SER A 90 9.083 23.613 19.181 1.00 53.10 O ATOM 1273 CB SER A 90 11.488 21.420 19.616 1.00 23.12 C ATOM 1274 OG SER A 90 12.448 22.444 19.811 1.00 64.24 O ATOM 0 H SER A 90 11.148 23.693 17.900 1.00 62.31 H new ATOM 0 HA SER A 90 10.226 20.894 17.960 1.00 55.25 H new ATOM 0 HB2 SER A 90 10.947 21.243 20.546 1.00 23.12 H new ATOM 0 HB3 SER A 90 11.992 20.489 19.358 1.00 23.12 H new ATOM 0 HG SER A 90 13.066 22.181 20.524 1.00 64.24 H new ATOM 1280 N GLY A 91 8.337 21.527 19.574 1.00 43.14 N ATOM 1281 CA GLY A 91 7.100 21.989 20.174 1.00 34.22 C ATOM 1282 C GLY A 91 6.937 21.515 21.605 1.00 61.43 C ATOM 1283 O GLY A 91 7.723 20.702 22.089 1.00 4.13 O ATOM 0 H GLY A 91 8.442 20.513 19.536 1.00 43.14 H new ATOM 0 HA2 GLY A 91 7.073 23.078 20.150 1.00 34.22 H new ATOM 0 HA3 GLY A 91 6.257 21.636 19.579 1.00 34.22 H new ATOM 1287 N ASN A 92 5.914 22.025 22.283 1.00 23.20 N ATOM 1288 CA ASN A 92 5.653 21.650 23.668 1.00 74.10 C ATOM 1289 C ASN A 92 4.153 21.602 23.944 1.00 31.15 C ATOM 1290 O ASN A 92 3.407 22.498 23.547 1.00 64.13 O ATOM 1291 CB ASN A 92 6.327 22.638 24.622 1.00 40.13 C ATOM 1292 CG ASN A 92 6.174 24.077 24.167 1.00 35.32 C ATOM 1293 OD1 ASN A 92 7.090 24.657 23.585 1.00 62.41 O ATOM 1294 ND2 ASN A 92 5.010 24.660 24.432 1.00 23.14 N ATOM 0 H ASN A 92 5.253 22.698 21.896 1.00 23.20 H new ATOM 0 HA ASN A 92 6.068 20.656 23.834 1.00 74.10 H new ATOM 0 HB2 ASN A 92 5.898 22.527 25.618 1.00 40.13 H new ATOM 0 HB3 ASN A 92 7.387 22.396 24.702 1.00 40.13 H new ATOM 0 HD21 ASN A 92 4.848 25.627 24.150 1.00 23.14 H new ATOM 0 HD22 ASN A 92 4.278 24.141 24.917 1.00 23.14 H new ATOM 1301 N THR A 93 3.716 20.550 24.630 1.00 63.32 N ATOM 1302 CA THR A 93 2.306 20.384 24.960 1.00 65.35 C ATOM 1303 C THR A 93 2.130 19.921 26.401 1.00 33.11 C ATOM 1304 O THR A 93 2.673 18.891 26.803 1.00 13.52 O ATOM 1305 CB THR A 93 1.625 19.371 24.020 1.00 62.10 C ATOM 1306 OG1 THR A 93 2.507 19.030 22.945 1.00 42.24 O ATOM 1307 CG2 THR A 93 0.330 19.939 23.460 1.00 70.23 C ATOM 0 H THR A 93 4.319 19.800 24.968 1.00 63.32 H new ATOM 0 HA THR A 93 1.835 21.359 24.834 1.00 65.35 H new ATOM 0 HB THR A 93 1.391 18.475 24.595 1.00 62.10 H new ATOM 0 HG1 THR A 93 1.998 18.593 22.231 1.00 42.24 H new ATOM 0 HG21 THR A 93 -0.133 19.206 22.799 1.00 70.23 H new ATOM 0 HG22 THR A 93 -0.351 20.170 24.280 1.00 70.23 H new ATOM 0 HG23 THR A 93 0.544 20.849 22.899 1.00 70.23 H new ATOM 1315 N ILE A 94 1.367 20.687 27.174 1.00 21.41 N ATOM 1316 CA ILE A 94 1.118 20.353 28.571 1.00 71.00 C ATOM 1317 C ILE A 94 -0.326 19.908 28.781 1.00 45.31 C ATOM 1318 O ILE A 94 -1.261 20.555 28.308 1.00 11.33 O ATOM 1319 CB ILE A 94 1.415 21.547 29.497 1.00 40.42 C ATOM 1320 CG1 ILE A 94 0.690 22.799 28.999 1.00 15.21 C ATOM 1321 CG2 ILE A 94 2.914 21.794 29.578 1.00 0.50 C ATOM 1322 CD1 ILE A 94 0.807 23.979 29.938 1.00 11.23 C ATOM 0 H ILE A 94 0.911 21.542 26.857 1.00 21.41 H new ATOM 0 HA ILE A 94 1.789 19.532 28.824 1.00 71.00 H new ATOM 0 HB ILE A 94 1.050 21.312 30.497 1.00 40.42 H new ATOM 0 HG12 ILE A 94 1.092 23.079 28.025 1.00 15.21 H new ATOM 0 HG13 ILE A 94 -0.364 22.564 28.853 1.00 15.21 H new ATOM 0 HG21 ILE A 94 3.108 22.641 30.236 1.00 0.50 H new ATOM 0 HG22 ILE A 94 3.408 20.907 29.973 1.00 0.50 H new ATOM 0 HG23 ILE A 94 3.301 22.012 28.583 1.00 0.50 H new ATOM 0 HD11 ILE A 94 0.269 24.831 29.521 1.00 11.23 H new ATOM 0 HD12 ILE A 94 0.378 23.718 30.906 1.00 11.23 H new ATOM 0 HD13 ILE A 94 1.858 24.240 30.065 1.00 11.23 H new ATOM 1334 N LEU A 95 -0.500 18.801 29.494 1.00 42.10 N ATOM 1335 CA LEU A 95 -1.830 18.270 29.769 1.00 32.21 C ATOM 1336 C LEU A 95 -1.988 17.935 31.249 1.00 65.11 C ATOM 1337 O LEU A 95 -1.155 17.240 31.832 1.00 62.42 O ATOM 1338 CB LEU A 95 -2.088 17.022 28.922 1.00 0.41 C ATOM 1339 CG LEU A 95 -3.261 16.144 29.360 1.00 4.11 C ATOM 1340 CD1 LEU A 95 -4.554 16.944 29.366 1.00 42.34 C ATOM 1341 CD2 LEU A 95 -3.386 14.930 28.451 1.00 12.12 C ATOM 0 H LEU A 95 0.263 18.254 29.892 1.00 42.10 H new ATOM 0 HA LEU A 95 -2.560 19.036 29.509 1.00 32.21 H new ATOM 0 HB2 LEU A 95 -2.259 17.335 27.892 1.00 0.41 H new ATOM 0 HB3 LEU A 95 -1.184 16.413 28.924 1.00 0.41 H new ATOM 0 HG LEU A 95 -3.070 15.795 30.375 1.00 4.11 H new ATOM 0 HD11 LEU A 95 -5.377 16.302 29.680 1.00 42.34 H new ATOM 0 HD12 LEU A 95 -4.461 17.781 30.059 1.00 42.34 H new ATOM 0 HD13 LEU A 95 -4.752 17.323 28.363 1.00 42.34 H new ATOM 0 HD21 LEU A 95 -4.226 14.316 28.777 1.00 12.12 H new ATOM 0 HD22 LEU A 95 -3.554 15.259 27.425 1.00 12.12 H new ATOM 0 HD23 LEU A 95 -2.468 14.344 28.498 1.00 12.12 H new ATOM 1353 N THR A 96 -3.063 18.433 31.852 1.00 23.41 N ATOM 1354 CA THR A 96 -3.330 18.186 33.263 1.00 34.23 C ATOM 1355 C THR A 96 -4.270 16.999 33.445 1.00 0.34 C ATOM 1356 O THR A 96 -5.456 17.079 33.125 1.00 31.13 O ATOM 1357 CB THR A 96 -3.947 19.423 33.943 1.00 5.10 C ATOM 1358 OG1 THR A 96 -3.062 20.542 33.818 1.00 2.13 O ATOM 1359 CG2 THR A 96 -4.224 19.151 35.414 1.00 62.22 C ATOM 0 H THR A 96 -3.763 19.010 31.385 1.00 23.41 H new ATOM 0 HA THR A 96 -2.372 17.963 33.732 1.00 34.23 H new ATOM 0 HB THR A 96 -4.891 19.649 33.448 1.00 5.10 H new ATOM 0 HG1 THR A 96 -3.567 21.326 33.517 1.00 2.13 H new ATOM 0 HG21 THR A 96 -4.659 20.039 35.873 1.00 62.22 H new ATOM 0 HG22 THR A 96 -4.920 18.317 35.505 1.00 62.22 H new ATOM 0 HG23 THR A 96 -3.291 18.902 35.920 1.00 62.22 H new ATOM 1367 N VAL A 97 -3.733 15.899 33.962 1.00 22.33 N ATOM 1368 CA VAL A 97 -4.524 14.695 34.189 1.00 53.41 C ATOM 1369 C VAL A 97 -4.617 14.371 35.676 1.00 74.25 C ATOM 1370 O VAL A 97 -3.604 14.294 36.369 1.00 72.11 O ATOM 1371 CB VAL A 97 -3.929 13.484 33.446 1.00 14.23 C ATOM 1372 CG1 VAL A 97 -4.224 13.573 31.957 1.00 55.22 C ATOM 1373 CG2 VAL A 97 -2.432 13.389 33.697 1.00 40.11 C ATOM 0 H VAL A 97 -2.753 15.816 34.232 1.00 22.33 H new ATOM 0 HA VAL A 97 -5.523 14.894 33.801 1.00 53.41 H new ATOM 0 HB VAL A 97 -4.397 12.578 33.830 1.00 14.23 H new ATOM 0 HG11 VAL A 97 -3.796 12.709 31.449 1.00 55.22 H new ATOM 0 HG12 VAL A 97 -5.303 13.589 31.800 1.00 55.22 H new ATOM 0 HG13 VAL A 97 -3.785 14.485 31.553 1.00 55.22 H new ATOM 0 HG21 VAL A 97 -2.028 12.528 33.165 1.00 40.11 H new ATOM 0 HG22 VAL A 97 -1.945 14.297 33.341 1.00 40.11 H new ATOM 0 HG23 VAL A 97 -2.249 13.274 34.765 1.00 40.11 H new ATOM 1383 N ASN A 98 -5.841 14.181 36.159 1.00 61.54 N ATOM 1384 CA ASN A 98 -6.067 13.864 37.564 1.00 20.21 C ATOM 1385 C ASN A 98 -6.573 12.433 37.725 1.00 44.32 C ATOM 1386 O ASN A 98 -7.678 12.205 38.216 1.00 54.12 O ATOM 1387 CB ASN A 98 -7.072 14.843 38.174 1.00 42.31 C ATOM 1388 CG ASN A 98 -6.517 16.251 38.277 1.00 54.15 C ATOM 1389 OD1 ASN A 98 -5.940 16.630 39.295 1.00 24.15 O ATOM 1390 ND2 ASN A 98 -6.692 17.034 37.218 1.00 2.02 N ATOM 0 H ASN A 98 -6.691 14.241 35.598 1.00 61.54 H new ATOM 0 HA ASN A 98 -5.116 13.956 38.088 1.00 20.21 H new ATOM 0 HB2 ASN A 98 -7.977 14.856 37.567 1.00 42.31 H new ATOM 0 HB3 ASN A 98 -7.358 14.495 39.166 1.00 42.31 H new ATOM 0 HD21 ASN A 98 -6.341 17.992 37.228 1.00 2.02 H new ATOM 0 HD22 ASN A 98 -7.177 16.677 36.395 1.00 2.02 H new ATOM 1397 N LYS A 99 -5.755 11.472 37.308 1.00 10.42 N ATOM 1398 CA LYS A 99 -6.117 10.063 37.407 1.00 44.31 C ATOM 1399 C LYS A 99 -6.208 9.626 38.865 1.00 31.13 C ATOM 1400 O LYS A 99 -5.196 9.328 39.500 1.00 24.01 O ATOM 1401 CB LYS A 99 -5.092 9.200 36.668 1.00 72.44 C ATOM 1402 CG LYS A 99 -5.684 8.407 35.515 1.00 64.11 C ATOM 1403 CD LYS A 99 -6.058 6.997 35.941 1.00 0.45 C ATOM 1404 CE LYS A 99 -7.475 6.644 35.516 1.00 1.22 C ATOM 1405 NZ LYS A 99 -8.494 7.340 36.350 1.00 70.03 N ATOM 0 H LYS A 99 -4.837 11.644 36.898 1.00 10.42 H new ATOM 0 HA LYS A 99 -7.095 9.931 36.945 1.00 44.31 H new ATOM 0 HB2 LYS A 99 -4.297 9.841 36.287 1.00 72.44 H new ATOM 0 HB3 LYS A 99 -4.633 8.509 37.376 1.00 72.44 H new ATOM 0 HG2 LYS A 99 -6.568 8.920 35.136 1.00 64.11 H new ATOM 0 HG3 LYS A 99 -4.966 8.362 34.696 1.00 64.11 H new ATOM 0 HD2 LYS A 99 -5.358 6.286 35.503 1.00 0.45 H new ATOM 0 HD3 LYS A 99 -5.969 6.907 37.024 1.00 0.45 H new ATOM 0 HE2 LYS A 99 -7.618 6.912 34.469 1.00 1.22 H new ATOM 0 HE3 LYS A 99 -7.619 5.566 35.591 1.00 1.22 H new ATOM 0 HZ1 LYS A 99 -9.446 7.034 36.062 1.00 70.03 H new ATOM 0 HZ2 LYS A 99 -8.343 7.104 37.352 1.00 70.03 H new ATOM 0 HZ3 LYS A 99 -8.406 8.368 36.219 1.00 70.03 H new ATOM 1419 N THR A 100 -7.428 9.588 39.392 1.00 73.22 N ATOM 1420 CA THR A 100 -7.652 9.186 40.775 1.00 42.41 C ATOM 1421 C THR A 100 -6.996 7.842 41.070 1.00 12.20 C ATOM 1422 O THR A 100 -6.435 7.638 42.146 1.00 24.24 O ATOM 1423 CB THR A 100 -9.155 9.093 41.097 1.00 52.31 C ATOM 1424 OG1 THR A 100 -9.902 8.885 39.893 1.00 51.40 O ATOM 1425 CG2 THR A 100 -9.640 10.359 41.788 1.00 21.43 C ATOM 0 H THR A 100 -8.277 9.831 38.881 1.00 73.22 H new ATOM 0 HA THR A 100 -7.201 9.953 41.404 1.00 42.41 H new ATOM 0 HB THR A 100 -9.308 8.249 41.770 1.00 52.31 H new ATOM 0 HG1 THR A 100 -10.857 8.825 40.106 1.00 51.40 H new ATOM 0 HG21 THR A 100 -10.704 10.270 42.005 1.00 21.43 H new ATOM 0 HG22 THR A 100 -9.090 10.499 42.719 1.00 21.43 H new ATOM 0 HG23 THR A 100 -9.474 11.216 41.136 1.00 21.43 H new ATOM 1433 N ASP A 101 -7.071 6.929 40.108 1.00 3.21 N ATOM 1434 CA ASP A 101 -6.482 5.604 40.264 1.00 34.05 C ATOM 1435 C ASP A 101 -4.991 5.630 39.943 1.00 74.11 C ATOM 1436 O ASP A 101 -4.576 6.166 38.915 1.00 4.11 O ATOM 1437 CB ASP A 101 -7.194 4.597 39.360 1.00 34.54 C ATOM 1438 CG ASP A 101 -6.731 3.173 39.602 1.00 12.40 C ATOM 1439 OD1 ASP A 101 -7.091 2.603 40.653 1.00 25.53 O ATOM 1440 OD2 ASP A 101 -6.010 2.630 38.740 1.00 51.04 O ATOM 0 H ASP A 101 -7.534 7.082 39.212 1.00 3.21 H new ATOM 0 HA ASP A 101 -6.605 5.299 41.303 1.00 34.05 H new ATOM 0 HB2 ASP A 101 -8.269 4.660 39.527 1.00 34.54 H new ATOM 0 HB3 ASP A 101 -7.018 4.861 38.317 1.00 34.54 H new ATOM 1445 N THR A 102 -4.190 5.048 40.829 1.00 24.23 N ATOM 1446 CA THR A 102 -2.745 5.006 40.641 1.00 20.15 C ATOM 1447 C THR A 102 -2.294 3.634 40.153 1.00 5.30 C ATOM 1448 O THR A 102 -1.922 3.469 38.991 1.00 55.04 O ATOM 1449 CB THR A 102 -1.999 5.345 41.946 1.00 42.03 C ATOM 1450 OG1 THR A 102 -0.586 5.351 41.714 1.00 23.13 O ATOM 1451 CG2 THR A 102 -2.335 4.341 43.038 1.00 2.01 C ATOM 0 H THR A 102 -4.517 4.599 41.684 1.00 24.23 H new ATOM 0 HA THR A 102 -2.502 5.755 39.887 1.00 20.15 H new ATOM 0 HB THR A 102 -2.317 6.334 42.275 1.00 42.03 H new ATOM 0 HG1 THR A 102 -0.119 5.569 42.547 1.00 23.13 H new ATOM 0 HG21 THR A 102 -1.797 4.601 43.949 1.00 2.01 H new ATOM 0 HG22 THR A 102 -3.407 4.360 43.232 1.00 2.01 H new ATOM 0 HG23 THR A 102 -2.042 3.342 42.716 1.00 2.01 H new TER 1459 THR A 102