USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 845 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 41 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-2.4) USER MOD Set 1.2: A 50 TYR OH : rot 30:sc= 0 USER MOD Set 1.3: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 36 SER OG : rot -118:sc= 1.23 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 0.544 K(o=1.8,f=-1.3) USER MOD Set 3.1: A 32 SER OG : rot 180:sc= -0.0114 USER MOD Set 3.2: A 33 SER OG : rot -86:sc= 0.335 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.0186 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 6 SER OG : rot -58:sc=0.000992 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0.738 (180deg=0.568) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0714) USER MOD Single : A 49 SER OG : rot 16:sc= 0.763 USER MOD Single : A 51 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -5.73! C(o=-5.7!,f=-4.9!) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0531) USER MOD Single : A 65 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.021) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -16:sc= 0.179 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.747 X(o=-0.75,f=-0.63) USER MOD Single : A 85 THR OG1 : rot 62:sc= 0.641 USER MOD Single : A 86 GLN : amide:sc= -1.58! C(o=-1.6!,f=-5.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0149 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.011 USER MOD Single : A 95 ASN : amide:sc= -6.52! C(o=-6.5!,f=-14!) USER MOD Single : A 96 SER OG : rot -34:sc= 0.118 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -106:sc= 0.343 USER MOD Single : A 105 MET CE :methyl -144:sc= 0 (180deg=-0.047) USER MOD Single : A 110 THR OG1 : rot -154:sc= 0.925 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.322 5.517 -17.777 1.00 0.00 N ATOM 2 CA GLY A 1 25.738 5.751 -17.991 1.00 0.00 C ATOM 3 C GLY A 1 26.230 7.005 -17.295 1.00 0.00 C ATOM 4 O GLY A 1 27.218 6.970 -16.562 1.00 0.00 O ATOM 0 H1 GLY A 1 24.035 4.649 -18.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.138 5.412 -16.759 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.777 6.323 -18.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.304 4.893 -17.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.932 5.833 -19.060 1.00 0.00 H new ATOM 8 N SER A 2 25.540 8.118 -17.526 1.00 0.00 N ATOM 9 CA SER A 2 25.916 9.390 -16.921 1.00 0.00 C ATOM 10 C SER A 2 24.716 10.044 -16.242 1.00 0.00 C ATOM 11 O SER A 2 23.577 9.886 -16.683 1.00 0.00 O ATOM 12 CB SER A 2 26.494 10.332 -17.979 1.00 0.00 C ATOM 13 OG SER A 2 25.544 10.602 -18.995 1.00 0.00 O ATOM 0 H SER A 2 24.718 8.164 -18.128 1.00 0.00 H new ATOM 0 HA SER A 2 26.677 9.194 -16.166 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.804 11.265 -17.509 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.386 9.886 -18.420 1.00 0.00 H new ATOM 0 HG SER A 2 25.937 11.207 -19.658 1.00 0.00 H new ATOM 19 N SER A 3 24.980 10.779 -15.167 1.00 0.00 N ATOM 20 CA SER A 3 23.923 11.455 -14.424 1.00 0.00 C ATOM 21 C SER A 3 24.459 12.703 -13.730 1.00 0.00 C ATOM 22 O SER A 3 25.494 12.663 -13.068 1.00 0.00 O ATOM 23 CB SER A 3 23.310 10.507 -13.392 1.00 0.00 C ATOM 24 OG SER A 3 24.309 9.947 -12.557 1.00 0.00 O ATOM 0 H SER A 3 25.917 10.922 -14.791 1.00 0.00 H new ATOM 0 HA SER A 3 23.152 11.758 -15.132 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.584 11.047 -12.784 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.769 9.710 -13.902 1.00 0.00 H new ATOM 0 HG SER A 3 24.964 10.637 -12.322 1.00 0.00 H new ATOM 30 N GLY A 4 23.744 13.814 -13.888 1.00 0.00 N ATOM 31 CA GLY A 4 24.163 15.059 -13.271 1.00 0.00 C ATOM 32 C GLY A 4 23.018 15.782 -12.591 1.00 0.00 C ATOM 33 O GLY A 4 22.132 16.320 -13.255 1.00 0.00 O ATOM 0 H GLY A 4 22.883 13.873 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.945 14.854 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.599 15.708 -14.030 1.00 0.00 H new ATOM 37 N SER A 5 23.034 15.795 -11.261 1.00 0.00 N ATOM 38 CA SER A 5 21.986 16.453 -10.490 1.00 0.00 C ATOM 39 C SER A 5 22.308 17.930 -10.285 1.00 0.00 C ATOM 40 O SER A 5 21.549 18.806 -10.699 1.00 0.00 O ATOM 41 CB SER A 5 21.812 15.764 -9.135 1.00 0.00 C ATOM 42 OG SER A 5 20.621 16.190 -8.496 1.00 0.00 O ATOM 0 H SER A 5 23.761 15.357 -10.696 1.00 0.00 H new ATOM 0 HA SER A 5 21.054 16.377 -11.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.788 14.683 -9.273 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.669 15.985 -8.499 1.00 0.00 H new ATOM 0 HG SER A 5 20.532 15.734 -7.633 1.00 0.00 H new ATOM 48 N SER A 6 23.441 18.198 -9.643 1.00 0.00 N ATOM 49 CA SER A 6 23.863 19.568 -9.378 1.00 0.00 C ATOM 50 C SER A 6 22.842 20.293 -8.507 1.00 0.00 C ATOM 51 O SER A 6 22.479 21.437 -8.778 1.00 0.00 O ATOM 52 CB SER A 6 24.060 20.326 -10.692 1.00 0.00 C ATOM 53 OG SER A 6 24.909 21.447 -10.513 1.00 0.00 O ATOM 0 H SER A 6 24.083 17.485 -9.297 1.00 0.00 H new ATOM 0 HA SER A 6 24.811 19.533 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.487 19.658 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.094 20.655 -11.074 1.00 0.00 H new ATOM 0 HG SER A 6 24.531 22.038 -9.829 1.00 0.00 H new ATOM 59 N GLY A 7 22.382 19.618 -7.458 1.00 0.00 N ATOM 60 CA GLY A 7 21.407 20.212 -6.563 1.00 0.00 C ATOM 61 C GLY A 7 20.041 20.353 -7.205 1.00 0.00 C ATOM 62 O GLY A 7 19.689 21.421 -7.706 1.00 0.00 O ATOM 0 H GLY A 7 22.667 18.670 -7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.322 19.599 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.759 21.194 -6.247 1.00 0.00 H new ATOM 66 N VAL A 8 19.268 19.272 -7.192 1.00 0.00 N ATOM 67 CA VAL A 8 17.933 19.279 -7.777 1.00 0.00 C ATOM 68 C VAL A 8 17.264 20.638 -7.605 1.00 0.00 C ATOM 69 O VAL A 8 17.119 21.133 -6.488 1.00 0.00 O ATOM 70 CB VAL A 8 17.038 18.195 -7.147 1.00 0.00 C ATOM 71 CG1 VAL A 8 17.248 16.859 -7.842 1.00 0.00 C ATOM 72 CG2 VAL A 8 17.312 18.079 -5.656 1.00 0.00 C ATOM 0 H VAL A 8 19.544 18.380 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 8 18.053 19.068 -8.840 1.00 0.00 H new ATOM 0 HB VAL A 8 15.996 18.486 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.607 16.106 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.997 16.955 -8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.291 16.557 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.671 17.309 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.357 17.811 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.105 19.034 -5.173 1.00 0.00 H new ATOM 82 N ALA A 9 16.859 21.237 -8.720 1.00 0.00 N ATOM 83 CA ALA A 9 16.203 22.539 -8.692 1.00 0.00 C ATOM 84 C ALA A 9 14.827 22.475 -9.347 1.00 0.00 C ATOM 85 O ALA A 9 14.684 22.736 -10.541 1.00 0.00 O ATOM 86 CB ALA A 9 17.070 23.581 -9.382 1.00 0.00 C ATOM 0 H ALA A 9 16.973 20.842 -9.653 1.00 0.00 H new ATOM 0 HA ALA A 9 16.067 22.828 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.568 24.548 -9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.029 23.654 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.235 23.288 -10.419 1.00 0.00 H new ATOM 92 N VAL A 10 13.817 22.124 -8.558 1.00 0.00 N ATOM 93 CA VAL A 10 12.452 22.025 -9.061 1.00 0.00 C ATOM 94 C VAL A 10 11.523 22.978 -8.318 1.00 0.00 C ATOM 95 O VAL A 10 11.585 23.094 -7.094 1.00 0.00 O ATOM 96 CB VAL A 10 11.908 20.590 -8.931 1.00 0.00 C ATOM 97 CG1 VAL A 10 12.741 19.626 -9.762 1.00 0.00 C ATOM 98 CG2 VAL A 10 11.880 20.162 -7.472 1.00 0.00 C ATOM 0 H VAL A 10 13.918 21.903 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 10 12.483 22.299 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 10 10.887 20.571 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.342 18.617 -9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.705 19.924 -10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.774 19.645 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.493 19.146 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.890 20.196 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.237 20.837 -6.907 1.00 0.00 H new ATOM 108 N ILE A 11 10.661 23.659 -9.066 1.00 0.00 N ATOM 109 CA ILE A 11 9.717 24.601 -8.478 1.00 0.00 C ATOM 110 C ILE A 11 8.320 23.996 -8.390 1.00 0.00 C ATOM 111 O ILE A 11 7.664 23.772 -9.407 1.00 0.00 O ATOM 112 CB ILE A 11 9.648 25.909 -9.289 1.00 0.00 C ATOM 113 CG1 ILE A 11 11.030 26.560 -9.365 1.00 0.00 C ATOM 114 CG2 ILE A 11 8.639 26.864 -8.668 1.00 0.00 C ATOM 115 CD1 ILE A 11 11.228 27.414 -10.599 1.00 0.00 C ATOM 0 H ILE A 11 10.597 23.576 -10.081 1.00 0.00 H new ATOM 0 HA ILE A 11 10.078 24.824 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 11 9.321 25.675 -10.302 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.182 27.176 -8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.792 25.780 -9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.601 27.784 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.654 26.398 -8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.938 27.095 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.229 27.844 -10.587 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.108 26.798 -11.491 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.489 28.215 -10.609 1.00 0.00 H new ATOM 127 N ASN A 12 7.869 23.736 -7.167 1.00 0.00 N ATOM 128 CA ASN A 12 6.549 23.158 -6.946 1.00 0.00 C ATOM 129 C ASN A 12 5.654 24.125 -6.176 1.00 0.00 C ATOM 130 O ASN A 12 6.140 25.011 -5.473 1.00 0.00 O ATOM 131 CB ASN A 12 6.668 21.838 -6.181 1.00 0.00 C ATOM 132 CG ASN A 12 7.164 20.705 -7.058 1.00 0.00 C ATOM 133 OD1 ASN A 12 8.306 20.714 -7.516 1.00 0.00 O ATOM 134 ND2 ASN A 12 6.303 19.722 -7.297 1.00 0.00 N ATOM 0 H ASN A 12 8.398 23.917 -6.314 1.00 0.00 H new ATOM 0 HA ASN A 12 6.096 22.967 -7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.350 21.968 -5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.696 21.573 -5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.579 18.933 -7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.366 19.756 -6.896 1.00 0.00 H new ATOM 141 N SER A 13 4.344 23.949 -6.314 1.00 0.00 N ATOM 142 CA SER A 13 3.381 24.807 -5.635 1.00 0.00 C ATOM 143 C SER A 13 2.230 23.986 -5.062 1.00 0.00 C ATOM 144 O SER A 13 1.527 23.288 -5.792 1.00 0.00 O ATOM 145 CB SER A 13 2.838 25.863 -6.600 1.00 0.00 C ATOM 146 OG SER A 13 3.892 26.584 -7.213 1.00 0.00 O ATOM 0 H SER A 13 3.925 23.219 -6.890 1.00 0.00 H new ATOM 0 HA SER A 13 3.893 25.305 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.229 25.382 -7.365 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.187 26.552 -6.061 1.00 0.00 H new ATOM 0 HG SER A 13 3.519 27.251 -7.826 1.00 0.00 H new ATOM 152 N ALA A 14 2.045 24.073 -3.749 1.00 0.00 N ATOM 153 CA ALA A 14 0.980 23.341 -3.076 1.00 0.00 C ATOM 154 C ALA A 14 0.449 24.120 -1.878 1.00 0.00 C ATOM 155 O ALA A 14 1.136 24.986 -1.336 1.00 0.00 O ATOM 156 CB ALA A 14 1.476 21.970 -2.640 1.00 0.00 C ATOM 0 H ALA A 14 2.620 24.644 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 14 0.160 23.211 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.670 21.434 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.799 21.405 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.315 22.088 -1.954 1.00 0.00 H new ATOM 162 N GLN A 15 -0.776 23.806 -1.469 1.00 0.00 N ATOM 163 CA GLN A 15 -1.399 24.479 -0.335 1.00 0.00 C ATOM 164 C GLN A 15 -1.000 23.814 0.978 1.00 0.00 C ATOM 165 O GLN A 15 -0.698 24.490 1.961 1.00 0.00 O ATOM 166 CB GLN A 15 -2.921 24.471 -0.483 1.00 0.00 C ATOM 167 CG GLN A 15 -3.513 23.077 -0.608 1.00 0.00 C ATOM 168 CD GLN A 15 -5.007 23.098 -0.864 1.00 0.00 C ATOM 169 OE1 GLN A 15 -5.744 23.867 -0.246 1.00 0.00 O ATOM 170 NE2 GLN A 15 -5.463 22.250 -1.780 1.00 0.00 N ATOM 0 H GLN A 15 -1.357 23.090 -1.906 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.049 25.511 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.364 24.969 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.195 25.053 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.016 22.547 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.313 22.518 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.816 21.630 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.460 22.219 -1.995 1.00 0.00 H new ATOM 179 N ASP A 16 -1.001 22.485 0.986 1.00 0.00 N ATOM 180 CA ASP A 16 -0.639 21.728 2.179 1.00 0.00 C ATOM 181 C ASP A 16 0.112 20.454 1.806 1.00 0.00 C ATOM 182 O ASP A 16 0.221 20.107 0.630 1.00 0.00 O ATOM 183 CB ASP A 16 -1.890 21.379 2.987 1.00 0.00 C ATOM 184 CG ASP A 16 -3.000 20.815 2.122 1.00 0.00 C ATOM 185 OD1 ASP A 16 -2.686 20.195 1.084 1.00 0.00 O ATOM 186 OD2 ASP A 16 -4.182 20.992 2.483 1.00 0.00 O ATOM 0 H ASP A 16 -1.248 21.910 0.180 1.00 0.00 H new ATOM 0 HA ASP A 16 0.016 22.350 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.630 20.654 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.250 22.272 3.498 1.00 0.00 H new ATOM 191 N ALA A 17 0.629 19.761 2.815 1.00 0.00 N ATOM 192 CA ALA A 17 1.369 18.525 2.594 1.00 0.00 C ATOM 193 C ALA A 17 1.385 17.661 3.851 1.00 0.00 C ATOM 194 O ALA A 17 1.457 18.159 4.974 1.00 0.00 O ATOM 195 CB ALA A 17 2.790 18.833 2.145 1.00 0.00 C ATOM 0 H ALA A 17 0.549 20.035 3.794 1.00 0.00 H new ATOM 0 HA ALA A 17 0.864 17.965 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.331 17.900 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.763 19.402 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.296 19.418 2.914 1.00 0.00 H new ATOM 201 N PRO A 18 1.315 16.335 3.659 1.00 0.00 N ATOM 202 CA PRO A 18 1.320 15.375 4.767 1.00 0.00 C ATOM 203 C PRO A 18 2.673 15.302 5.466 1.00 0.00 C ATOM 204 O PRO A 18 3.717 15.255 4.815 1.00 0.00 O ATOM 205 CB PRO A 18 0.999 14.044 4.083 1.00 0.00 C ATOM 206 CG PRO A 18 1.453 14.222 2.675 1.00 0.00 C ATOM 207 CD PRO A 18 1.228 15.672 2.348 1.00 0.00 C ATOM 0 HA PRO A 18 0.612 15.651 5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.519 13.216 4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.067 13.822 4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.505 13.956 2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.891 13.578 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.981 16.049 1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.257 15.832 1.880 1.00 0.00 H new ATOM 215 N SER A 19 2.648 15.292 6.794 1.00 0.00 N ATOM 216 CA SER A 19 3.874 15.228 7.582 1.00 0.00 C ATOM 217 C SER A 19 3.855 14.026 8.520 1.00 0.00 C ATOM 218 O SER A 19 4.899 13.575 8.990 1.00 0.00 O ATOM 219 CB SER A 19 4.055 16.516 8.388 1.00 0.00 C ATOM 220 OG SER A 19 3.227 16.518 9.538 1.00 0.00 O ATOM 0 H SER A 19 1.792 15.327 7.348 1.00 0.00 H new ATOM 0 HA SER A 19 4.713 15.117 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.098 16.618 8.687 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.817 17.377 7.763 1.00 0.00 H new ATOM 0 HG SER A 19 3.362 17.351 10.037 1.00 0.00 H new ATOM 226 N GLU A 20 2.659 13.511 8.788 1.00 0.00 N ATOM 227 CA GLU A 20 2.503 12.361 9.671 1.00 0.00 C ATOM 228 C GLU A 20 2.172 11.103 8.873 1.00 0.00 C ATOM 229 O GLU A 20 1.447 11.158 7.879 1.00 0.00 O ATOM 230 CB GLU A 20 1.405 12.627 10.703 1.00 0.00 C ATOM 231 CG GLU A 20 1.200 11.483 11.682 1.00 0.00 C ATOM 232 CD GLU A 20 2.275 11.431 12.751 1.00 0.00 C ATOM 233 OE1 GLU A 20 3.465 11.583 12.404 1.00 0.00 O ATOM 234 OE2 GLU A 20 1.925 11.237 13.934 1.00 0.00 O ATOM 0 H GLU A 20 1.785 13.872 8.407 1.00 0.00 H new ATOM 0 HA GLU A 20 3.449 12.203 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.653 13.531 11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.467 12.821 10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.225 11.587 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.190 10.540 11.136 1.00 0.00 H new ATOM 241 N ALA A 21 2.709 9.970 9.315 1.00 0.00 N ATOM 242 CA ALA A 21 2.470 8.699 8.644 1.00 0.00 C ATOM 243 C ALA A 21 1.503 7.830 9.441 1.00 0.00 C ATOM 244 O ALA A 21 1.449 7.886 10.670 1.00 0.00 O ATOM 245 CB ALA A 21 3.783 7.963 8.423 1.00 0.00 C ATOM 0 H ALA A 21 3.312 9.907 10.135 1.00 0.00 H new ATOM 0 HA ALA A 21 2.016 8.909 7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.589 7.015 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.442 8.573 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.260 7.773 9.385 1.00 0.00 H new ATOM 251 N PRO A 22 0.719 7.008 8.728 1.00 0.00 N ATOM 252 CA PRO A 22 -0.261 6.112 9.350 1.00 0.00 C ATOM 253 C PRO A 22 0.401 4.973 10.119 1.00 0.00 C ATOM 254 O PRO A 22 0.926 4.031 9.525 1.00 0.00 O ATOM 255 CB PRO A 22 -1.048 5.564 8.156 1.00 0.00 C ATOM 256 CG PRO A 22 -0.109 5.667 7.004 1.00 0.00 C ATOM 257 CD PRO A 22 0.729 6.889 7.261 1.00 0.00 C ATOM 0 HA PRO A 22 -0.878 6.630 10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.356 4.532 8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.955 6.143 7.980 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.514 4.776 6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.653 5.758 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.741 6.770 6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.307 7.773 6.783 1.00 0.00 H new ATOM 265 N THR A 23 0.372 5.066 11.445 1.00 0.00 N ATOM 266 CA THR A 23 0.970 4.044 12.295 1.00 0.00 C ATOM 267 C THR A 23 -0.021 2.923 12.587 1.00 0.00 C ATOM 268 O THR A 23 -1.181 2.987 12.181 1.00 0.00 O ATOM 269 CB THR A 23 1.461 4.640 13.628 1.00 0.00 C ATOM 270 OG1 THR A 23 1.889 5.992 13.433 1.00 0.00 O ATOM 271 CG2 THR A 23 2.606 3.817 14.199 1.00 0.00 C ATOM 0 H THR A 23 -0.059 5.838 11.953 1.00 0.00 H new ATOM 0 HA THR A 23 1.823 3.638 11.750 1.00 0.00 H new ATOM 0 HB THR A 23 0.632 4.621 14.336 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.198 6.364 14.286 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.936 4.257 15.140 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.268 2.796 14.375 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.436 3.808 13.492 1.00 0.00 H new ATOM 279 N GLU A 24 0.444 1.897 13.293 1.00 0.00 N ATOM 280 CA GLU A 24 -0.403 0.762 13.639 1.00 0.00 C ATOM 281 C GLU A 24 -1.032 0.153 12.389 1.00 0.00 C ATOM 282 O GLU A 24 -2.209 -0.209 12.386 1.00 0.00 O ATOM 283 CB GLU A 24 -1.499 1.193 14.616 1.00 0.00 C ATOM 284 CG GLU A 24 -0.972 1.585 15.987 1.00 0.00 C ATOM 285 CD GLU A 24 -2.078 1.746 17.012 1.00 0.00 C ATOM 286 OE1 GLU A 24 -2.789 0.754 17.277 1.00 0.00 O ATOM 287 OE2 GLU A 24 -2.231 2.862 17.549 1.00 0.00 O ATOM 0 H GLU A 24 1.402 1.829 13.636 1.00 0.00 H new ATOM 0 HA GLU A 24 0.222 0.007 14.116 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.043 2.036 14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.214 0.378 14.730 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.269 0.827 16.332 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.418 2.520 15.906 1.00 0.00 H new ATOM 294 N VAL A 25 -0.239 0.043 11.328 1.00 0.00 N ATOM 295 CA VAL A 25 -0.717 -0.523 10.072 1.00 0.00 C ATOM 296 C VAL A 25 -0.467 -2.026 10.016 1.00 0.00 C ATOM 297 O VAL A 25 0.645 -2.491 10.261 1.00 0.00 O ATOM 298 CB VAL A 25 -0.038 0.145 8.862 1.00 0.00 C ATOM 299 CG1 VAL A 25 1.463 -0.098 8.890 1.00 0.00 C ATOM 300 CG2 VAL A 25 -0.644 -0.365 7.563 1.00 0.00 C ATOM 0 H VAL A 25 0.737 0.338 11.313 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.790 -0.335 10.027 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.209 1.220 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.925 0.382 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.882 0.320 9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.659 -1.170 8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.153 0.117 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.505 -1.444 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.709 -0.134 7.543 1.00 0.00 H new ATOM 310 N GLY A 26 -1.511 -2.782 9.690 1.00 0.00 N ATOM 311 CA GLY A 26 -1.384 -4.226 9.607 1.00 0.00 C ATOM 312 C GLY A 26 -2.213 -4.817 8.484 1.00 0.00 C ATOM 313 O GLY A 26 -3.278 -4.298 8.149 1.00 0.00 O ATOM 0 H GLY A 26 -2.442 -2.421 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.336 -4.488 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.691 -4.670 10.554 1.00 0.00 H new ATOM 317 N VAL A 27 -1.724 -5.905 7.899 1.00 0.00 N ATOM 318 CA VAL A 27 -2.427 -6.568 6.806 1.00 0.00 C ATOM 319 C VAL A 27 -2.937 -7.940 7.233 1.00 0.00 C ATOM 320 O VAL A 27 -2.231 -8.698 7.899 1.00 0.00 O ATOM 321 CB VAL A 27 -1.520 -6.730 5.572 1.00 0.00 C ATOM 322 CG1 VAL A 27 -1.469 -5.437 4.773 1.00 0.00 C ATOM 323 CG2 VAL A 27 -0.123 -7.162 5.992 1.00 0.00 C ATOM 0 H VAL A 27 -0.843 -6.347 8.163 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.274 -5.934 6.544 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.940 -7.507 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.823 -5.571 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.474 -5.175 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.073 -4.638 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.505 -7.272 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.308 -6.409 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.180 -8.115 6.518 1.00 0.00 H new ATOM 333 N LYS A 28 -4.168 -8.254 6.844 1.00 0.00 N ATOM 334 CA LYS A 28 -4.774 -9.536 7.183 1.00 0.00 C ATOM 335 C LYS A 28 -5.005 -10.377 5.932 1.00 0.00 C ATOM 336 O LYS A 28 -5.618 -9.918 4.968 1.00 0.00 O ATOM 337 CB LYS A 28 -6.100 -9.318 7.916 1.00 0.00 C ATOM 338 CG LYS A 28 -6.613 -10.559 8.626 1.00 0.00 C ATOM 339 CD LYS A 28 -7.481 -11.406 7.710 1.00 0.00 C ATOM 340 CE LYS A 28 -7.981 -12.657 8.416 1.00 0.00 C ATOM 341 NZ LYS A 28 -8.412 -13.705 7.449 1.00 0.00 N ATOM 0 H LYS A 28 -4.766 -7.638 6.293 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.087 -10.072 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.975 -8.518 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.850 -8.983 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.770 -11.152 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.188 -10.266 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.331 -10.817 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.910 -11.689 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.191 -13.054 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.816 -12.398 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.601 -14.591 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.277 -13.394 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.659 -13.862 6.749 1.00 0.00 H new ATOM 355 N VAL A 29 -4.512 -11.611 5.955 1.00 0.00 N ATOM 356 CA VAL A 29 -4.667 -12.517 4.823 1.00 0.00 C ATOM 357 C VAL A 29 -6.039 -13.182 4.835 1.00 0.00 C ATOM 358 O VAL A 29 -6.273 -14.133 5.581 1.00 0.00 O ATOM 359 CB VAL A 29 -3.580 -13.609 4.825 1.00 0.00 C ATOM 360 CG1 VAL A 29 -3.774 -14.558 3.652 1.00 0.00 C ATOM 361 CG2 VAL A 29 -2.195 -12.981 4.789 1.00 0.00 C ATOM 0 H VAL A 29 -4.002 -12.006 6.745 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.566 -11.915 3.920 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.670 -14.185 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.997 -15.322 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.752 -15.033 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.712 -13.999 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.439 -13.766 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.091 -12.380 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.061 -12.346 5.665 1.00 0.00 H new ATOM 371 N LEU A 30 -6.942 -12.675 4.003 1.00 0.00 N ATOM 372 CA LEU A 30 -8.293 -13.219 3.917 1.00 0.00 C ATOM 373 C LEU A 30 -8.294 -14.562 3.192 1.00 0.00 C ATOM 374 O LEU A 30 -8.704 -15.579 3.750 1.00 0.00 O ATOM 375 CB LEU A 30 -9.215 -12.236 3.194 1.00 0.00 C ATOM 376 CG LEU A 30 -9.230 -10.807 3.737 1.00 0.00 C ATOM 377 CD1 LEU A 30 -10.072 -9.906 2.847 1.00 0.00 C ATOM 378 CD2 LEU A 30 -9.750 -10.784 5.166 1.00 0.00 C ATOM 0 H LEU A 30 -6.763 -11.888 3.379 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.661 -13.374 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.924 -12.201 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.231 -12.628 3.231 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.208 -10.429 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.071 -8.893 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.655 -9.897 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.095 -10.281 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.753 -9.759 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.764 -11.182 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.105 -11.395 5.798 1.00 0.00 H new ATOM 390 N SER A 31 -7.829 -14.556 1.947 1.00 0.00 N ATOM 391 CA SER A 31 -7.777 -15.773 1.145 1.00 0.00 C ATOM 392 C SER A 31 -6.466 -15.857 0.370 1.00 0.00 C ATOM 393 O SER A 31 -5.617 -14.971 0.465 1.00 0.00 O ATOM 394 CB SER A 31 -8.960 -15.821 0.175 1.00 0.00 C ATOM 395 OG SER A 31 -9.305 -17.158 -0.143 1.00 0.00 O ATOM 0 H SER A 31 -7.483 -13.722 1.472 1.00 0.00 H new ATOM 0 HA SER A 31 -7.835 -16.627 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.818 -15.316 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.708 -15.280 -0.737 1.00 0.00 H new ATOM 0 HG SER A 31 -10.064 -17.161 -0.763 1.00 0.00 H new ATOM 401 N SER A 32 -6.308 -16.931 -0.398 1.00 0.00 N ATOM 402 CA SER A 32 -5.099 -17.134 -1.187 1.00 0.00 C ATOM 403 C SER A 32 -4.814 -15.922 -2.069 1.00 0.00 C ATOM 404 O SER A 32 -3.665 -15.508 -2.222 1.00 0.00 O ATOM 405 CB SER A 32 -5.235 -18.388 -2.054 1.00 0.00 C ATOM 406 OG SER A 32 -6.236 -18.219 -3.042 1.00 0.00 O ATOM 0 H SER A 32 -7.002 -17.673 -0.490 1.00 0.00 H new ATOM 0 HA SER A 32 -4.264 -17.264 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.281 -18.608 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.481 -19.244 -1.425 1.00 0.00 H new ATOM 0 HG SER A 32 -6.302 -19.033 -3.583 1.00 0.00 H new ATOM 412 N SER A 33 -5.870 -15.358 -2.646 1.00 0.00 N ATOM 413 CA SER A 33 -5.735 -14.195 -3.516 1.00 0.00 C ATOM 414 C SER A 33 -6.489 -12.998 -2.943 1.00 0.00 C ATOM 415 O SER A 33 -6.790 -12.042 -3.657 1.00 0.00 O ATOM 416 CB SER A 33 -6.256 -14.517 -4.918 1.00 0.00 C ATOM 417 OG SER A 33 -5.584 -15.637 -5.466 1.00 0.00 O ATOM 0 H SER A 33 -6.828 -15.687 -2.527 1.00 0.00 H new ATOM 0 HA SER A 33 -4.677 -13.940 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.327 -14.717 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.119 -13.653 -5.568 1.00 0.00 H new ATOM 0 HG SER A 33 -4.758 -15.341 -5.903 1.00 0.00 H new ATOM 423 N GLU A 34 -6.791 -13.060 -1.650 1.00 0.00 N ATOM 424 CA GLU A 34 -7.510 -11.982 -0.982 1.00 0.00 C ATOM 425 C GLU A 34 -6.771 -11.532 0.275 1.00 0.00 C ATOM 426 O GLU A 34 -6.324 -12.355 1.073 1.00 0.00 O ATOM 427 CB GLU A 34 -8.927 -12.433 -0.619 1.00 0.00 C ATOM 428 CG GLU A 34 -9.739 -12.906 -1.813 1.00 0.00 C ATOM 429 CD GLU A 34 -10.483 -11.775 -2.497 1.00 0.00 C ATOM 430 OE1 GLU A 34 -10.150 -10.601 -2.236 1.00 0.00 O ATOM 431 OE2 GLU A 34 -11.399 -12.066 -3.295 1.00 0.00 O ATOM 0 H GLU A 34 -6.549 -13.845 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.569 -11.138 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.867 -13.240 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.451 -11.606 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.075 -13.386 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.454 -13.661 -1.486 1.00 0.00 H new ATOM 438 N ILE A 35 -6.646 -10.219 0.442 1.00 0.00 N ATOM 439 CA ILE A 35 -5.962 -9.659 1.601 1.00 0.00 C ATOM 440 C ILE A 35 -6.492 -8.269 1.934 1.00 0.00 C ATOM 441 O ILE A 35 -6.792 -7.477 1.040 1.00 0.00 O ATOM 442 CB ILE A 35 -4.441 -9.575 1.371 1.00 0.00 C ATOM 443 CG1 ILE A 35 -3.890 -10.940 0.954 1.00 0.00 C ATOM 444 CG2 ILE A 35 -3.742 -9.075 2.626 1.00 0.00 C ATOM 445 CD1 ILE A 35 -2.406 -10.928 0.662 1.00 0.00 C ATOM 0 H ILE A 35 -7.009 -9.524 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.158 -10.330 2.437 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.249 -8.866 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.091 -11.661 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.424 -11.283 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.668 -9.021 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.117 -8.084 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.939 -9.761 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.084 -11.928 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.201 -10.231 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.862 -10.616 1.554 1.00 0.00 H new ATOM 457 N SER A 36 -6.605 -7.978 3.226 1.00 0.00 N ATOM 458 CA SER A 36 -7.101 -6.683 3.678 1.00 0.00 C ATOM 459 C SER A 36 -5.973 -5.848 4.276 1.00 0.00 C ATOM 460 O SER A 36 -5.110 -6.366 4.985 1.00 0.00 O ATOM 461 CB SER A 36 -8.214 -6.872 4.710 1.00 0.00 C ATOM 462 OG SER A 36 -8.866 -5.645 4.987 1.00 0.00 O ATOM 0 H SER A 36 -6.360 -8.622 3.978 1.00 0.00 H new ATOM 0 HA SER A 36 -7.503 -6.153 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.939 -7.597 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.796 -7.281 5.630 1.00 0.00 H new ATOM 0 HG SER A 36 -8.748 -5.418 5.933 1.00 0.00 H new ATOM 468 N VAL A 37 -5.987 -4.551 3.986 1.00 0.00 N ATOM 469 CA VAL A 37 -4.967 -3.642 4.495 1.00 0.00 C ATOM 470 C VAL A 37 -5.591 -2.530 5.331 1.00 0.00 C ATOM 471 O VAL A 37 -6.236 -1.626 4.799 1.00 0.00 O ATOM 472 CB VAL A 37 -4.153 -3.013 3.349 1.00 0.00 C ATOM 473 CG1 VAL A 37 -3.008 -2.180 3.903 1.00 0.00 C ATOM 474 CG2 VAL A 37 -3.633 -4.092 2.411 1.00 0.00 C ATOM 0 H VAL A 37 -6.694 -4.106 3.401 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.300 -4.233 5.122 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.808 -2.354 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.444 -1.743 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.408 -1.384 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.350 -2.815 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.060 -3.630 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.992 -4.778 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.473 -4.642 1.988 1.00 0.00 H new ATOM 484 N HIS A 38 -5.394 -2.602 6.644 1.00 0.00 N ATOM 485 CA HIS A 38 -5.936 -1.600 7.555 1.00 0.00 C ATOM 486 C HIS A 38 -4.853 -0.616 7.986 1.00 0.00 C ATOM 487 O HIS A 38 -3.661 -0.901 7.874 1.00 0.00 O ATOM 488 CB HIS A 38 -6.547 -2.275 8.783 1.00 0.00 C ATOM 489 CG HIS A 38 -7.443 -3.428 8.450 1.00 0.00 C ATOM 490 ND1 HIS A 38 -8.810 -3.392 8.622 1.00 0.00 N ATOM 491 CD2 HIS A 38 -7.159 -4.653 7.950 1.00 0.00 C ATOM 492 CE1 HIS A 38 -9.329 -4.547 8.244 1.00 0.00 C ATOM 493 NE2 HIS A 38 -8.349 -5.330 7.832 1.00 0.00 N ATOM 0 H HIS A 38 -4.863 -3.344 7.101 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.715 -1.048 7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.744 -2.625 9.432 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.115 -1.536 9.349 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -9.338 -2.598 8.984 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.180 -5.028 7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.377 -4.806 8.268 1.00 0.00 H new ATOM 502 N TRP A 39 -5.276 0.543 8.478 1.00 0.00 N ATOM 503 CA TRP A 39 -4.342 1.569 8.926 1.00 0.00 C ATOM 504 C TRP A 39 -5.064 2.657 9.713 1.00 0.00 C ATOM 505 O TRP A 39 -6.279 2.813 9.600 1.00 0.00 O ATOM 506 CB TRP A 39 -3.617 2.186 7.728 1.00 0.00 C ATOM 507 CG TRP A 39 -4.531 2.924 6.796 1.00 0.00 C ATOM 508 CD1 TRP A 39 -4.985 4.204 6.938 1.00 0.00 C ATOM 509 CD2 TRP A 39 -5.102 2.425 5.582 1.00 0.00 C ATOM 510 NE1 TRP A 39 -5.804 4.531 5.884 1.00 0.00 N ATOM 511 CE2 TRP A 39 -5.892 3.457 5.039 1.00 0.00 C ATOM 512 CE3 TRP A 39 -5.022 1.207 4.901 1.00 0.00 C ATOM 513 CZ2 TRP A 39 -6.596 3.306 3.847 1.00 0.00 C ATOM 514 CZ3 TRP A 39 -5.722 1.059 3.718 1.00 0.00 C ATOM 515 CH2 TRP A 39 -6.500 2.103 3.201 1.00 0.00 C ATOM 0 H TRP A 39 -6.259 0.795 8.577 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.610 1.097 9.582 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -2.849 2.870 8.090 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.106 1.397 7.176 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.737 4.862 7.758 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.271 5.428 5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.424 0.397 5.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.196 4.109 3.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -5.668 0.122 3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.035 1.956 2.274 1.00 0.00 H new ATOM 526 N GLU A 40 -4.308 3.406 10.510 1.00 0.00 N ATOM 527 CA GLU A 40 -4.879 4.479 11.316 1.00 0.00 C ATOM 528 C GLU A 40 -4.876 5.797 10.548 1.00 0.00 C ATOM 529 O GLU A 40 -3.855 6.202 9.991 1.00 0.00 O ATOM 530 CB GLU A 40 -4.099 4.636 12.623 1.00 0.00 C ATOM 531 CG GLU A 40 -4.936 5.173 13.771 1.00 0.00 C ATOM 532 CD GLU A 40 -4.179 5.193 15.085 1.00 0.00 C ATOM 533 OE1 GLU A 40 -3.267 6.033 15.232 1.00 0.00 O ATOM 534 OE2 GLU A 40 -4.500 4.369 15.967 1.00 0.00 O ATOM 0 H GLU A 40 -3.300 3.290 10.615 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.911 4.215 11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.685 3.669 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.256 5.306 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.268 6.183 13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.831 4.561 13.881 1.00 0.00 H new ATOM 541 N HIS A 41 -6.027 6.463 10.521 1.00 0.00 N ATOM 542 CA HIS A 41 -6.158 7.735 9.821 1.00 0.00 C ATOM 543 C HIS A 41 -5.172 8.762 10.371 1.00 0.00 C ATOM 544 O HIS A 41 -5.115 8.998 11.578 1.00 0.00 O ATOM 545 CB HIS A 41 -7.587 8.265 9.946 1.00 0.00 C ATOM 546 CG HIS A 41 -8.542 7.647 8.973 1.00 0.00 C ATOM 547 ND1 HIS A 41 -9.898 7.898 8.986 1.00 0.00 N ATOM 548 CD2 HIS A 41 -8.331 6.786 7.950 1.00 0.00 C ATOM 549 CE1 HIS A 41 -10.480 7.216 8.016 1.00 0.00 C ATOM 550 NE2 HIS A 41 -9.550 6.533 7.372 1.00 0.00 N ATOM 0 H HIS A 41 -6.882 6.142 10.976 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.931 7.567 8.768 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.946 8.084 10.959 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.579 9.345 9.799 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.380 6.375 7.645 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.536 7.217 7.788 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.712 5.918 6.575 1.00 0.00 H new ATOM 559 N VAL A 42 -4.397 9.368 9.478 1.00 0.00 N ATOM 560 CA VAL A 42 -3.414 10.370 9.874 1.00 0.00 C ATOM 561 C VAL A 42 -4.093 11.626 10.408 1.00 0.00 C ATOM 562 O VAL A 42 -5.238 11.920 10.063 1.00 0.00 O ATOM 563 CB VAL A 42 -2.500 10.755 8.695 1.00 0.00 C ATOM 564 CG1 VAL A 42 -1.665 9.563 8.254 1.00 0.00 C ATOM 565 CG2 VAL A 42 -3.324 11.296 7.537 1.00 0.00 C ATOM 0 H VAL A 42 -4.430 9.183 8.475 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.809 9.925 10.664 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.821 11.541 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.026 9.855 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.046 9.225 9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.324 8.753 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.662 11.563 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.028 10.534 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.873 12.180 7.863 1.00 0.00 H new ATOM 575 N LEU A 43 -3.380 12.363 11.252 1.00 0.00 N ATOM 576 CA LEU A 43 -3.913 13.590 11.834 1.00 0.00 C ATOM 577 C LEU A 43 -4.096 14.665 10.768 1.00 0.00 C ATOM 578 O LEU A 43 -4.647 15.732 11.037 1.00 0.00 O ATOM 579 CB LEU A 43 -2.982 14.101 12.935 1.00 0.00 C ATOM 580 CG LEU A 43 -1.520 14.306 12.536 1.00 0.00 C ATOM 581 CD1 LEU A 43 -1.305 15.714 12.002 1.00 0.00 C ATOM 582 CD2 LEU A 43 -0.602 14.037 13.719 1.00 0.00 C ATOM 0 H LEU A 43 -2.432 12.133 11.549 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.888 13.364 12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.374 15.049 13.303 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.016 13.398 13.767 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.277 13.598 11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.259 15.842 11.723 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.936 15.872 11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.566 16.439 12.773 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.434 14.188 13.417 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.846 14.721 14.532 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.736 13.009 14.057 1.00 0.00 H new ATOM 594 N GLU A 44 -3.633 14.374 9.556 1.00 0.00 N ATOM 595 CA GLU A 44 -3.748 15.316 8.449 1.00 0.00 C ATOM 596 C GLU A 44 -4.995 15.028 7.617 1.00 0.00 C ATOM 597 O GLU A 44 -5.036 14.065 6.851 1.00 0.00 O ATOM 598 CB GLU A 44 -2.503 15.248 7.562 1.00 0.00 C ATOM 599 CG GLU A 44 -1.361 16.125 8.047 1.00 0.00 C ATOM 600 CD GLU A 44 -1.523 17.575 7.636 1.00 0.00 C ATOM 601 OE1 GLU A 44 -2.141 18.344 8.403 1.00 0.00 O ATOM 602 OE2 GLU A 44 -1.033 17.942 6.547 1.00 0.00 O ATOM 0 H GLU A 44 -3.175 13.495 9.316 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.834 16.319 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.160 14.215 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.773 15.545 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.298 16.064 9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.420 15.742 7.651 1.00 0.00 H new ATOM 609 N LYS A 45 -6.011 15.870 7.775 1.00 0.00 N ATOM 610 CA LYS A 45 -7.260 15.709 7.039 1.00 0.00 C ATOM 611 C LYS A 45 -7.127 16.246 5.618 1.00 0.00 C ATOM 612 O LYS A 45 -8.104 16.294 4.869 1.00 0.00 O ATOM 613 CB LYS A 45 -8.399 16.430 7.764 1.00 0.00 C ATOM 614 CG LYS A 45 -9.775 15.879 7.433 1.00 0.00 C ATOM 615 CD LYS A 45 -9.925 14.440 7.895 1.00 0.00 C ATOM 616 CE LYS A 45 -11.375 13.983 7.833 1.00 0.00 C ATOM 617 NZ LYS A 45 -12.194 14.587 8.920 1.00 0.00 N ATOM 0 H LYS A 45 -5.994 16.671 8.406 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.487 14.644 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.237 16.358 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.369 17.489 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.539 16.496 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.942 15.936 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.311 13.791 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.555 14.344 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.800 14.252 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.417 12.896 7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.132 14.138 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.721 14.439 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.302 15.607 8.748 1.00 0.00 H new ATOM 631 N ILE A 46 -5.914 16.646 5.252 1.00 0.00 N ATOM 632 CA ILE A 46 -5.655 17.176 3.920 1.00 0.00 C ATOM 633 C ILE A 46 -5.430 16.052 2.915 1.00 0.00 C ATOM 634 O ILE A 46 -5.619 16.232 1.712 1.00 0.00 O ATOM 635 CB ILE A 46 -4.428 18.108 3.913 1.00 0.00 C ATOM 636 CG1 ILE A 46 -3.154 17.312 4.202 1.00 0.00 C ATOM 637 CG2 ILE A 46 -4.605 19.224 4.933 1.00 0.00 C ATOM 638 CD1 ILE A 46 -1.911 17.917 3.587 1.00 0.00 C ATOM 0 H ILE A 46 -5.095 16.613 5.860 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.537 17.747 3.631 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.337 18.557 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.017 17.240 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.277 16.296 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.730 19.874 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.494 19.805 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.718 18.793 5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.046 17.300 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.027 17.964 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.763 18.923 3.980 1.00 0.00 H new ATOM 650 N VAL A 47 -5.026 14.889 3.417 1.00 0.00 N ATOM 651 CA VAL A 47 -4.777 13.733 2.564 1.00 0.00 C ATOM 652 C VAL A 47 -6.020 13.367 1.759 1.00 0.00 C ATOM 653 O VAL A 47 -7.108 13.218 2.314 1.00 0.00 O ATOM 654 CB VAL A 47 -4.335 12.511 3.390 1.00 0.00 C ATOM 655 CG1 VAL A 47 -3.157 12.868 4.284 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.497 11.976 4.213 1.00 0.00 C ATOM 0 H VAL A 47 -4.864 14.723 4.410 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.974 14.010 1.881 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.014 11.727 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.859 11.992 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.321 13.200 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.446 13.669 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.167 11.113 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.850 12.753 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.308 11.679 3.548 1.00 0.00 H new ATOM 666 N GLU A 48 -5.848 13.222 0.449 1.00 0.00 N ATOM 667 CA GLU A 48 -6.957 12.873 -0.432 1.00 0.00 C ATOM 668 C GLU A 48 -7.333 11.402 -0.276 1.00 0.00 C ATOM 669 O GLU A 48 -8.504 11.064 -0.103 1.00 0.00 O ATOM 670 CB GLU A 48 -6.592 13.167 -1.888 1.00 0.00 C ATOM 671 CG GLU A 48 -6.390 14.644 -2.179 1.00 0.00 C ATOM 672 CD GLU A 48 -7.689 15.427 -2.154 1.00 0.00 C ATOM 673 OE1 GLU A 48 -8.664 14.980 -2.794 1.00 0.00 O ATOM 674 OE2 GLU A 48 -7.730 16.486 -1.494 1.00 0.00 O ATOM 0 H GLU A 48 -4.953 13.341 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.817 13.481 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.679 12.628 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.380 12.782 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.703 15.064 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.921 14.757 -3.156 1.00 0.00 H new ATOM 681 N SER A 49 -6.331 10.531 -0.341 1.00 0.00 N ATOM 682 CA SER A 49 -6.555 9.096 -0.213 1.00 0.00 C ATOM 683 C SER A 49 -5.281 8.384 0.229 1.00 0.00 C ATOM 684 O SER A 49 -4.243 9.015 0.433 1.00 0.00 O ATOM 685 CB SER A 49 -7.044 8.514 -1.541 1.00 0.00 C ATOM 686 OG SER A 49 -8.419 8.790 -1.743 1.00 0.00 O ATOM 0 H SER A 49 -5.356 10.794 -0.482 1.00 0.00 H new ATOM 0 HA SER A 49 -7.320 8.940 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.461 8.933 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.881 7.436 -1.551 1.00 0.00 H new ATOM 0 HG SER A 49 -8.705 9.495 -1.125 1.00 0.00 H new ATOM 692 N TYR A 50 -5.367 7.067 0.376 1.00 0.00 N ATOM 693 CA TYR A 50 -4.222 6.268 0.797 1.00 0.00 C ATOM 694 C TYR A 50 -3.809 5.289 -0.298 1.00 0.00 C ATOM 695 O TYR A 50 -4.619 4.490 -0.768 1.00 0.00 O ATOM 696 CB TYR A 50 -4.550 5.505 2.081 1.00 0.00 C ATOM 697 CG TYR A 50 -4.909 6.402 3.244 1.00 0.00 C ATOM 698 CD1 TYR A 50 -6.182 6.947 3.360 1.00 0.00 C ATOM 699 CD2 TYR A 50 -3.975 6.705 4.227 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.514 7.768 4.420 1.00 0.00 C ATOM 701 CE2 TYR A 50 -4.298 7.524 5.291 1.00 0.00 C ATOM 702 CZ TYR A 50 -5.568 8.053 5.383 1.00 0.00 C ATOM 703 OH TYR A 50 -5.895 8.870 6.442 1.00 0.00 O ATOM 0 H TYR A 50 -6.218 6.530 0.210 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.389 6.945 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.380 4.825 1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.693 4.891 2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.925 6.725 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.979 6.293 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.508 8.184 4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.560 7.749 6.047 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.849 8.777 6.644 1.00 0.00 H new ATOM 713 N GLN A 51 -2.544 5.359 -0.699 1.00 0.00 N ATOM 714 CA GLN A 51 -2.022 4.479 -1.738 1.00 0.00 C ATOM 715 C GLN A 51 -1.429 3.212 -1.132 1.00 0.00 C ATOM 716 O GLN A 51 -0.429 3.264 -0.416 1.00 0.00 O ATOM 717 CB GLN A 51 -0.963 5.207 -2.567 1.00 0.00 C ATOM 718 CG GLN A 51 -1.533 5.961 -3.757 1.00 0.00 C ATOM 719 CD GLN A 51 -1.647 5.095 -4.997 1.00 0.00 C ATOM 720 OE1 GLN A 51 -2.615 4.353 -5.164 1.00 0.00 O ATOM 721 NE2 GLN A 51 -0.655 5.186 -5.876 1.00 0.00 N ATOM 0 H GLN A 51 -1.862 6.016 -0.320 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.850 4.195 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.430 5.908 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.231 4.482 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.518 6.350 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.899 6.820 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.129 5.814 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.677 4.628 -6.729 1.00 0.00 H new ATOM 730 N ILE A 52 -2.052 2.075 -1.423 1.00 0.00 N ATOM 731 CA ILE A 52 -1.585 0.794 -0.907 1.00 0.00 C ATOM 732 C ILE A 52 -0.873 -0.009 -1.991 1.00 0.00 C ATOM 733 O ILE A 52 -1.514 -0.650 -2.824 1.00 0.00 O ATOM 734 CB ILE A 52 -2.747 -0.044 -0.343 1.00 0.00 C ATOM 735 CG1 ILE A 52 -3.405 0.683 0.832 1.00 0.00 C ATOM 736 CG2 ILE A 52 -2.251 -1.416 0.088 1.00 0.00 C ATOM 737 CD1 ILE A 52 -4.540 1.594 0.419 1.00 0.00 C ATOM 0 H ILE A 52 -2.882 2.015 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.884 1.015 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.492 -0.178 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.781 -0.055 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.650 1.270 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.084 -1.996 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.824 -1.935 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.489 -1.302 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.959 2.076 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.165 2.354 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.314 1.009 -0.077 1.00 0.00 H new ATOM 749 N ARG A 53 0.455 0.030 -1.972 1.00 0.00 N ATOM 750 CA ARG A 53 1.254 -0.695 -2.953 1.00 0.00 C ATOM 751 C ARG A 53 1.469 -2.141 -2.518 1.00 0.00 C ATOM 752 O ARG A 53 1.576 -2.432 -1.326 1.00 0.00 O ATOM 753 CB ARG A 53 2.605 -0.005 -3.152 1.00 0.00 C ATOM 754 CG ARG A 53 2.600 1.035 -4.261 1.00 0.00 C ATOM 755 CD ARG A 53 3.589 2.155 -3.978 1.00 0.00 C ATOM 756 NE ARG A 53 3.012 3.193 -3.127 1.00 0.00 N ATOM 757 CZ ARG A 53 3.614 4.348 -2.866 1.00 0.00 C ATOM 758 NH1 ARG A 53 4.803 4.612 -3.388 1.00 0.00 N ATOM 759 NH2 ARG A 53 3.025 5.242 -2.082 1.00 0.00 N ATOM 0 H ARG A 53 1.000 0.555 -1.289 1.00 0.00 H new ATOM 0 HA ARG A 53 0.711 -0.695 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.900 0.473 -2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.359 -0.759 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.849 0.559 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.598 1.451 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.476 1.743 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.915 2.598 -4.919 1.00 0.00 H new ATOM 0 HE ARG A 53 2.097 3.021 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.258 3.928 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.263 5.500 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.109 5.043 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.488 6.129 -1.882 1.00 0.00 H new ATOM 773 N TYR A 54 1.530 -3.044 -3.490 1.00 0.00 N ATOM 774 CA TYR A 54 1.730 -4.460 -3.208 1.00 0.00 C ATOM 775 C TYR A 54 2.399 -5.162 -4.385 1.00 0.00 C ATOM 776 O TYR A 54 2.009 -4.974 -5.537 1.00 0.00 O ATOM 777 CB TYR A 54 0.392 -5.132 -2.893 1.00 0.00 C ATOM 778 CG TYR A 54 -0.551 -5.186 -4.074 1.00 0.00 C ATOM 779 CD1 TYR A 54 -1.271 -4.064 -4.465 1.00 0.00 C ATOM 780 CD2 TYR A 54 -0.723 -6.360 -4.797 1.00 0.00 C ATOM 781 CE1 TYR A 54 -2.134 -4.109 -5.543 1.00 0.00 C ATOM 782 CE2 TYR A 54 -1.583 -6.414 -5.877 1.00 0.00 C ATOM 783 CZ TYR A 54 -2.286 -5.286 -6.246 1.00 0.00 C ATOM 784 OH TYR A 54 -3.145 -5.336 -7.320 1.00 0.00 O ATOM 0 H TYR A 54 1.444 -2.820 -4.481 1.00 0.00 H new ATOM 0 HA TYR A 54 2.385 -4.542 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.578 -6.147 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.092 -4.595 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.154 -3.141 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.175 -7.245 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.686 -3.228 -5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.704 -7.334 -6.429 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.135 -6.237 -7.705 1.00 0.00 H new ATOM 794 N TRP A 55 3.409 -5.971 -4.086 1.00 0.00 N ATOM 795 CA TRP A 55 4.133 -6.703 -5.119 1.00 0.00 C ATOM 796 C TRP A 55 4.834 -7.923 -4.533 1.00 0.00 C ATOM 797 O TRP A 55 4.986 -8.038 -3.317 1.00 0.00 O ATOM 798 CB TRP A 55 5.156 -5.789 -5.798 1.00 0.00 C ATOM 799 CG TRP A 55 6.257 -5.348 -4.882 1.00 0.00 C ATOM 800 CD1 TRP A 55 7.547 -5.796 -4.876 1.00 0.00 C ATOM 801 CD2 TRP A 55 6.164 -4.373 -3.837 1.00 0.00 C ATOM 802 NE1 TRP A 55 8.262 -5.158 -3.891 1.00 0.00 N ATOM 803 CE2 TRP A 55 7.436 -4.280 -3.240 1.00 0.00 C ATOM 804 CE3 TRP A 55 5.131 -3.569 -3.350 1.00 0.00 C ATOM 805 CZ2 TRP A 55 7.699 -3.416 -2.181 1.00 0.00 C ATOM 806 CZ3 TRP A 55 5.393 -2.712 -2.298 1.00 0.00 C ATOM 807 CH2 TRP A 55 6.669 -2.640 -1.723 1.00 0.00 C ATOM 0 H TRP A 55 3.745 -6.137 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 55 3.411 -7.044 -5.861 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.590 -6.311 -6.651 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.644 -4.910 -6.189 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.947 -6.542 -5.547 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.248 -5.313 -3.679 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.145 -3.616 -3.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.682 -3.360 -1.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.601 -2.087 -1.912 1.00 0.00 H new ATOM 0 HH2 TRP A 55 6.843 -1.959 -0.903 1.00 0.00 H new ATOM 818 N ALA A 56 5.258 -8.833 -5.404 1.00 0.00 N ATOM 819 CA ALA A 56 5.944 -10.043 -4.971 1.00 0.00 C ATOM 820 C ALA A 56 7.386 -9.745 -4.572 1.00 0.00 C ATOM 821 O ALA A 56 7.963 -8.745 -4.999 1.00 0.00 O ATOM 822 CB ALA A 56 5.906 -11.094 -6.071 1.00 0.00 C ATOM 0 H ALA A 56 5.138 -8.755 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 56 5.425 -10.431 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.422 -11.993 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.870 -11.337 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.399 -10.706 -6.962 1.00 0.00 H new ATOM 828 N ALA A 57 7.960 -10.618 -3.751 1.00 0.00 N ATOM 829 CA ALA A 57 9.335 -10.448 -3.296 1.00 0.00 C ATOM 830 C ALA A 57 10.274 -10.192 -4.470 1.00 0.00 C ATOM 831 O ALA A 57 11.196 -9.381 -4.375 1.00 0.00 O ATOM 832 CB ALA A 57 9.786 -11.671 -2.513 1.00 0.00 C ATOM 0 H ALA A 57 7.495 -11.450 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 57 9.370 -9.578 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.814 -11.531 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.139 -11.807 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.729 -12.553 -3.151 1.00 0.00 H new ATOM 838 N HIS A 58 10.035 -10.889 -5.576 1.00 0.00 N ATOM 839 CA HIS A 58 10.860 -10.737 -6.769 1.00 0.00 C ATOM 840 C HIS A 58 10.580 -9.404 -7.458 1.00 0.00 C ATOM 841 O HIS A 58 11.502 -8.700 -7.868 1.00 0.00 O ATOM 842 CB HIS A 58 10.607 -11.890 -7.741 1.00 0.00 C ATOM 843 CG HIS A 58 9.154 -12.143 -8.004 1.00 0.00 C ATOM 844 ND1 HIS A 58 8.425 -13.104 -7.337 1.00 0.00 N ATOM 845 CD2 HIS A 58 8.295 -11.552 -8.867 1.00 0.00 C ATOM 846 CE1 HIS A 58 7.180 -13.095 -7.779 1.00 0.00 C ATOM 847 NE2 HIS A 58 7.075 -12.162 -8.707 1.00 0.00 N ATOM 0 H HIS A 58 9.277 -11.565 -5.671 1.00 0.00 H new ATOM 0 HA HIS A 58 11.906 -10.754 -6.461 1.00 0.00 H new ATOM 0 HB2 HIS A 58 11.107 -11.675 -8.685 1.00 0.00 H new ATOM 0 HB3 HIS A 58 11.059 -12.798 -7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.526 -10.751 -9.553 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.384 -13.741 -7.439 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.225 -11.931 -9.222 1.00 0.00 H new ATOM 856 N ASP A 59 9.301 -9.065 -7.581 1.00 0.00 N ATOM 857 CA ASP A 59 8.899 -7.818 -8.219 1.00 0.00 C ATOM 858 C ASP A 59 9.630 -6.630 -7.600 1.00 0.00 C ATOM 859 O ASP A 59 10.218 -6.741 -6.524 1.00 0.00 O ATOM 860 CB ASP A 59 7.387 -7.622 -8.098 1.00 0.00 C ATOM 861 CG ASP A 59 6.621 -8.339 -9.191 1.00 0.00 C ATOM 862 OD1 ASP A 59 7.157 -8.454 -10.313 1.00 0.00 O ATOM 863 OD2 ASP A 59 5.484 -8.785 -8.926 1.00 0.00 O ATOM 0 H ASP A 59 8.525 -9.637 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 59 9.166 -7.876 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.053 -7.985 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.157 -6.557 -8.136 1.00 0.00 H new ATOM 868 N LYS A 60 9.590 -5.494 -8.287 1.00 0.00 N ATOM 869 CA LYS A 60 10.247 -4.284 -7.806 1.00 0.00 C ATOM 870 C LYS A 60 9.221 -3.234 -7.395 1.00 0.00 C ATOM 871 O LYS A 60 8.105 -3.208 -7.914 1.00 0.00 O ATOM 872 CB LYS A 60 11.170 -3.716 -8.887 1.00 0.00 C ATOM 873 CG LYS A 60 12.230 -4.697 -9.358 1.00 0.00 C ATOM 874 CD LYS A 60 13.401 -3.981 -10.011 1.00 0.00 C ATOM 875 CE LYS A 60 14.691 -4.772 -9.861 1.00 0.00 C ATOM 876 NZ LYS A 60 15.237 -4.686 -8.478 1.00 0.00 N ATOM 0 H LYS A 60 9.109 -5.385 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 60 10.841 -4.547 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.568 -3.407 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.660 -2.822 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.587 -5.283 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.789 -5.398 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.189 -3.825 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.523 -2.995 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.508 -5.816 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.431 -4.397 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.213 -5.045 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.229 -3.695 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.651 -5.258 -7.837 1.00 0.00 H new ATOM 890 N GLU A 61 9.607 -2.368 -6.463 1.00 0.00 N ATOM 891 CA GLU A 61 8.719 -1.315 -5.984 1.00 0.00 C ATOM 892 C GLU A 61 8.221 -0.456 -7.143 1.00 0.00 C ATOM 893 O GLU A 61 7.136 0.122 -7.078 1.00 0.00 O ATOM 894 CB GLU A 61 9.438 -0.439 -4.957 1.00 0.00 C ATOM 895 CG GLU A 61 10.393 0.568 -5.577 1.00 0.00 C ATOM 896 CD GLU A 61 11.036 1.474 -4.546 1.00 0.00 C ATOM 897 OE1 GLU A 61 11.825 0.966 -3.721 1.00 0.00 O ATOM 898 OE2 GLU A 61 10.751 2.689 -4.563 1.00 0.00 O ATOM 0 H GLU A 61 10.528 -2.375 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 61 7.859 -1.787 -5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.695 0.095 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.993 -1.079 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.172 0.036 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.853 1.176 -6.303 1.00 0.00 H new ATOM 905 N GLU A 62 9.022 -0.377 -8.201 1.00 0.00 N ATOM 906 CA GLU A 62 8.663 0.413 -9.373 1.00 0.00 C ATOM 907 C GLU A 62 7.579 -0.285 -10.189 1.00 0.00 C ATOM 908 O GLU A 62 6.778 0.363 -10.860 1.00 0.00 O ATOM 909 CB GLU A 62 9.895 0.660 -10.246 1.00 0.00 C ATOM 910 CG GLU A 62 10.571 -0.616 -10.719 1.00 0.00 C ATOM 911 CD GLU A 62 11.696 -0.351 -11.701 1.00 0.00 C ATOM 912 OE1 GLU A 62 11.428 0.248 -12.763 1.00 0.00 O ATOM 913 OE2 GLU A 62 12.844 -0.742 -11.405 1.00 0.00 O ATOM 0 H GLU A 62 9.923 -0.850 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 62 8.273 1.371 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.602 1.250 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.615 1.256 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.965 -1.155 -9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.830 -1.263 -11.188 1.00 0.00 H new ATOM 920 N ALA A 63 7.562 -1.613 -10.125 1.00 0.00 N ATOM 921 CA ALA A 63 6.577 -2.400 -10.856 1.00 0.00 C ATOM 922 C ALA A 63 5.460 -2.874 -9.934 1.00 0.00 C ATOM 923 O ALA A 63 4.647 -3.719 -10.311 1.00 0.00 O ATOM 924 CB ALA A 63 7.247 -3.588 -11.531 1.00 0.00 C ATOM 0 H ALA A 63 8.219 -2.166 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 63 6.134 -1.763 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.500 -4.167 -12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.005 -3.231 -12.228 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.717 -4.218 -10.776 1.00 0.00 H new ATOM 930 N ALA A 64 5.425 -2.326 -8.724 1.00 0.00 N ATOM 931 CA ALA A 64 4.405 -2.693 -7.748 1.00 0.00 C ATOM 932 C ALA A 64 3.088 -1.982 -8.038 1.00 0.00 C ATOM 933 O ALA A 64 3.065 -0.781 -8.304 1.00 0.00 O ATOM 934 CB ALA A 64 4.883 -2.371 -6.340 1.00 0.00 C ATOM 0 H ALA A 64 6.091 -1.626 -8.396 1.00 0.00 H new ATOM 0 HA ALA A 64 4.232 -3.767 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.112 -2.650 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.795 -2.929 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.085 -1.303 -6.260 1.00 0.00 H new ATOM 940 N ASN A 65 1.992 -2.732 -7.984 1.00 0.00 N ATOM 941 CA ASN A 65 0.670 -2.173 -8.243 1.00 0.00 C ATOM 942 C ASN A 65 0.363 -1.032 -7.277 1.00 0.00 C ATOM 943 O ASN A 65 1.135 -0.760 -6.357 1.00 0.00 O ATOM 944 CB ASN A 65 -0.399 -3.261 -8.120 1.00 0.00 C ATOM 945 CG ASN A 65 -0.143 -4.431 -9.050 1.00 0.00 C ATOM 946 OD1 ASN A 65 -0.574 -4.428 -10.203 1.00 0.00 O ATOM 947 ND2 ASN A 65 0.563 -5.439 -8.551 1.00 0.00 N ATOM 0 H ASN A 65 1.993 -3.728 -7.763 1.00 0.00 H new ATOM 0 HA ASN A 65 0.662 -1.778 -9.259 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.432 -3.619 -7.091 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.377 -2.832 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.768 -6.254 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.900 -5.398 -7.589 1.00 0.00 H new ATOM 954 N ARG A 66 -0.768 -0.369 -7.493 1.00 0.00 N ATOM 955 CA ARG A 66 -1.176 0.742 -6.642 1.00 0.00 C ATOM 956 C ARG A 66 -2.684 0.724 -6.410 1.00 0.00 C ATOM 957 O ARG A 66 -3.467 0.621 -7.354 1.00 0.00 O ATOM 958 CB ARG A 66 -0.763 2.073 -7.273 1.00 0.00 C ATOM 959 CG ARG A 66 0.696 2.431 -7.040 1.00 0.00 C ATOM 960 CD ARG A 66 1.222 3.359 -8.123 1.00 0.00 C ATOM 961 NE ARG A 66 1.740 2.622 -9.272 1.00 0.00 N ATOM 962 CZ ARG A 66 2.310 3.203 -10.322 1.00 0.00 C ATOM 963 NH1 ARG A 66 2.433 4.522 -10.368 1.00 0.00 N ATOM 964 NH2 ARG A 66 2.757 2.463 -11.329 1.00 0.00 N ATOM 0 H ARG A 66 -1.418 -0.582 -8.250 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.676 0.632 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.951 2.031 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.392 2.867 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.803 2.909 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.296 1.521 -7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.423 4.024 -8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.011 3.987 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 66 1.660 1.605 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.090 5.093 -9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.871 4.966 -11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.663 1.448 -11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.195 2.909 -12.135 1.00 0.00 H new ATOM 978 N VAL A 67 -3.084 0.823 -5.146 1.00 0.00 N ATOM 979 CA VAL A 67 -4.498 0.818 -4.789 1.00 0.00 C ATOM 980 C VAL A 67 -4.875 2.079 -4.020 1.00 0.00 C ATOM 981 O VAL A 67 -4.595 2.197 -2.828 1.00 0.00 O ATOM 982 CB VAL A 67 -4.858 -0.415 -3.939 1.00 0.00 C ATOM 983 CG1 VAL A 67 -6.360 -0.482 -3.704 1.00 0.00 C ATOM 984 CG2 VAL A 67 -4.358 -1.687 -4.607 1.00 0.00 C ATOM 0 H VAL A 67 -2.449 0.908 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.060 0.783 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.366 -0.323 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.595 -1.360 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.687 0.416 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.875 -0.551 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.621 -2.548 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.819 -1.788 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.275 -1.638 -4.718 1.00 0.00 H new ATOM 994 N GLN A 68 -5.513 3.019 -4.711 1.00 0.00 N ATOM 995 CA GLN A 68 -5.928 4.272 -4.092 1.00 0.00 C ATOM 996 C GLN A 68 -7.401 4.224 -3.702 1.00 0.00 C ATOM 997 O GLN A 68 -8.283 4.245 -4.561 1.00 0.00 O ATOM 998 CB GLN A 68 -5.678 5.443 -5.045 1.00 0.00 C ATOM 999 CG GLN A 68 -5.864 6.805 -4.396 1.00 0.00 C ATOM 1000 CD GLN A 68 -5.616 7.949 -5.359 1.00 0.00 C ATOM 1001 OE1 GLN A 68 -6.171 7.982 -6.458 1.00 0.00 O ATOM 1002 NE2 GLN A 68 -4.779 8.896 -4.952 1.00 0.00 N ATOM 0 H GLN A 68 -5.753 2.936 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.336 4.416 -3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.663 5.372 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.355 5.359 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.877 6.880 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.185 6.895 -3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.341 8.829 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.574 9.690 -5.558 1.00 0.00 H new ATOM 1011 N VAL A 69 -7.662 4.159 -2.400 1.00 0.00 N ATOM 1012 CA VAL A 69 -9.029 4.109 -1.895 1.00 0.00 C ATOM 1013 C VAL A 69 -9.380 5.381 -1.132 1.00 0.00 C ATOM 1014 O VAL A 69 -8.511 6.026 -0.543 1.00 0.00 O ATOM 1015 CB VAL A 69 -9.242 2.894 -0.972 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -8.959 1.600 -1.718 1.00 0.00 C ATOM 1017 CG2 VAL A 69 -8.366 3.007 0.267 1.00 0.00 C ATOM 0 H VAL A 69 -6.944 4.140 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.684 4.017 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.284 2.880 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.115 0.753 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.632 1.517 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.927 1.600 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.529 2.141 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.318 3.046 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.623 3.915 0.812 1.00 0.00 H new ATOM 1027 N THR A 70 -10.660 5.738 -1.145 1.00 0.00 N ATOM 1028 CA THR A 70 -11.127 6.934 -0.456 1.00 0.00 C ATOM 1029 C THR A 70 -10.529 7.031 0.943 1.00 0.00 C ATOM 1030 O THR A 70 -10.469 6.042 1.673 1.00 0.00 O ATOM 1031 CB THR A 70 -12.664 6.956 -0.347 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.127 5.759 0.288 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.302 7.086 -1.721 1.00 0.00 C ATOM 0 H THR A 70 -11.392 5.215 -1.626 1.00 0.00 H new ATOM 0 HA THR A 70 -10.800 7.788 -1.049 1.00 0.00 H new ATOM 0 HB THR A 70 -12.951 7.820 0.253 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.104 5.781 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.387 7.099 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.970 8.012 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.007 6.240 -2.341 1.00 0.00 H new ATOM 1041 N SER A 71 -10.087 8.230 1.311 1.00 0.00 N ATOM 1042 CA SER A 71 -9.490 8.455 2.622 1.00 0.00 C ATOM 1043 C SER A 71 -10.451 8.047 3.734 1.00 0.00 C ATOM 1044 O SER A 71 -10.059 7.930 4.895 1.00 0.00 O ATOM 1045 CB SER A 71 -9.102 9.926 2.783 1.00 0.00 C ATOM 1046 OG SER A 71 -8.661 10.196 4.102 1.00 0.00 O ATOM 0 H SER A 71 -10.131 9.060 0.720 1.00 0.00 H new ATOM 0 HA SER A 71 -8.594 7.839 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.313 10.177 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.957 10.559 2.545 1.00 0.00 H new ATOM 0 HG SER A 71 -8.931 9.463 4.694 1.00 0.00 H new ATOM 1052 N GLN A 72 -11.711 7.831 3.369 1.00 0.00 N ATOM 1053 CA GLN A 72 -12.728 7.435 4.336 1.00 0.00 C ATOM 1054 C GLN A 72 -12.581 5.965 4.712 1.00 0.00 C ATOM 1055 O GLN A 72 -12.857 5.574 5.845 1.00 0.00 O ATOM 1056 CB GLN A 72 -14.126 7.692 3.770 1.00 0.00 C ATOM 1057 CG GLN A 72 -14.524 9.159 3.773 1.00 0.00 C ATOM 1058 CD GLN A 72 -16.022 9.357 3.901 1.00 0.00 C ATOM 1059 OE1 GLN A 72 -16.768 9.179 2.938 1.00 0.00 O ATOM 1060 NE2 GLN A 72 -16.470 9.727 5.095 1.00 0.00 N ATOM 0 H GLN A 72 -12.051 7.923 2.412 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.591 8.035 5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.170 7.314 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.854 7.126 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.023 9.666 4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.177 9.628 2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.816 9.863 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -17.468 9.875 5.242 1.00 0.00 H new ATOM 1069 N GLU A 73 -12.144 5.155 3.752 1.00 0.00 N ATOM 1070 CA GLU A 73 -11.961 3.727 3.983 1.00 0.00 C ATOM 1071 C GLU A 73 -10.783 3.474 4.919 1.00 0.00 C ATOM 1072 O GLU A 73 -9.624 3.543 4.509 1.00 0.00 O ATOM 1073 CB GLU A 73 -11.739 2.997 2.657 1.00 0.00 C ATOM 1074 CG GLU A 73 -13.028 2.628 1.942 1.00 0.00 C ATOM 1075 CD GLU A 73 -13.566 1.276 2.370 1.00 0.00 C ATOM 1076 OE1 GLU A 73 -12.769 0.318 2.448 1.00 0.00 O ATOM 1077 OE2 GLU A 73 -14.784 1.177 2.627 1.00 0.00 O ATOM 0 H GLU A 73 -11.910 5.463 2.808 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.866 3.343 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.137 3.627 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.164 2.090 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.780 3.393 2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.853 2.621 0.866 1.00 0.00 H new ATOM 1084 N TYR A 74 -11.088 3.181 6.178 1.00 0.00 N ATOM 1085 CA TYR A 74 -10.055 2.920 7.174 1.00 0.00 C ATOM 1086 C TYR A 74 -9.147 1.777 6.730 1.00 0.00 C ATOM 1087 O TYR A 74 -8.037 1.619 7.238 1.00 0.00 O ATOM 1088 CB TYR A 74 -10.692 2.585 8.524 1.00 0.00 C ATOM 1089 CG TYR A 74 -10.972 3.801 9.379 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -10.009 4.303 10.245 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -12.201 4.447 9.320 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -10.261 5.412 11.028 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -12.461 5.558 10.099 1.00 0.00 C ATOM 1094 CZ TYR A 74 -11.489 6.037 10.951 1.00 0.00 C ATOM 1095 OH TYR A 74 -11.743 7.143 11.729 1.00 0.00 O ATOM 0 H TYR A 74 -12.042 3.118 6.533 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.450 3.821 7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.625 2.049 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.032 1.911 9.070 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.046 3.817 10.307 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.965 4.074 8.654 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.501 5.788 11.697 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.421 6.049 10.041 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.653 7.464 11.555 1.00 0.00 H new ATOM 1105 N SER A 75 -9.627 0.984 5.778 1.00 0.00 N ATOM 1106 CA SER A 75 -8.861 -0.147 5.267 1.00 0.00 C ATOM 1107 C SER A 75 -9.138 -0.364 3.783 1.00 0.00 C ATOM 1108 O SER A 75 -10.045 0.243 3.214 1.00 0.00 O ATOM 1109 CB SER A 75 -9.199 -1.416 6.051 1.00 0.00 C ATOM 1110 OG SER A 75 -10.487 -1.899 5.709 1.00 0.00 O ATOM 0 H SER A 75 -10.543 1.104 5.345 1.00 0.00 H new ATOM 0 HA SER A 75 -7.802 0.077 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.453 -2.184 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.157 -1.209 7.120 1.00 0.00 H new ATOM 0 HG SER A 75 -10.679 -2.712 6.222 1.00 0.00 H new ATOM 1116 N ALA A 76 -8.348 -1.233 3.161 1.00 0.00 N ATOM 1117 CA ALA A 76 -8.508 -1.533 1.743 1.00 0.00 C ATOM 1118 C ALA A 76 -8.532 -3.038 1.499 1.00 0.00 C ATOM 1119 O ALA A 76 -8.398 -3.830 2.432 1.00 0.00 O ATOM 1120 CB ALA A 76 -7.394 -0.883 0.937 1.00 0.00 C ATOM 0 H ALA A 76 -7.591 -1.742 3.617 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.464 -1.124 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.526 -1.115 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.426 0.197 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.430 -1.265 1.275 1.00 0.00 H new ATOM 1126 N ARG A 77 -8.702 -3.426 0.240 1.00 0.00 N ATOM 1127 CA ARG A 77 -8.745 -4.836 -0.126 1.00 0.00 C ATOM 1128 C ARG A 77 -7.888 -5.104 -1.360 1.00 0.00 C ATOM 1129 O ARG A 77 -7.862 -4.305 -2.297 1.00 0.00 O ATOM 1130 CB ARG A 77 -10.187 -5.274 -0.389 1.00 0.00 C ATOM 1131 CG ARG A 77 -10.299 -6.642 -1.041 1.00 0.00 C ATOM 1132 CD ARG A 77 -11.645 -7.288 -0.752 1.00 0.00 C ATOM 1133 NE ARG A 77 -12.696 -6.780 -1.629 1.00 0.00 N ATOM 1134 CZ ARG A 77 -13.953 -7.209 -1.595 1.00 0.00 C ATOM 1135 NH1 ARG A 77 -14.313 -8.149 -0.731 1.00 0.00 N ATOM 1136 NH2 ARG A 77 -14.853 -6.698 -2.425 1.00 0.00 N ATOM 0 H ARG A 77 -8.812 -2.783 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.344 -5.413 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.732 -5.285 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.671 -4.536 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.165 -6.545 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.499 -7.287 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.562 -8.368 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.920 -7.104 0.287 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.452 -6.056 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.624 -8.544 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.279 -8.477 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.580 -5.975 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.818 -7.028 -2.398 1.00 0.00 H new ATOM 1150 N LEU A 78 -7.187 -6.233 -1.353 1.00 0.00 N ATOM 1151 CA LEU A 78 -6.328 -6.607 -2.471 1.00 0.00 C ATOM 1152 C LEU A 78 -6.835 -7.877 -3.147 1.00 0.00 C ATOM 1153 O LEU A 78 -7.272 -8.814 -2.479 1.00 0.00 O ATOM 1154 CB LEU A 78 -4.891 -6.811 -1.989 1.00 0.00 C ATOM 1155 CG LEU A 78 -4.245 -5.621 -1.279 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.851 -5.982 -0.791 1.00 0.00 C ATOM 1157 CD2 LEU A 78 -4.193 -4.412 -2.203 1.00 0.00 C ATOM 0 H LEU A 78 -7.197 -6.905 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.349 -5.797 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.874 -7.665 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.275 -7.074 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.855 -5.365 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.408 -5.122 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.915 -6.817 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.230 -6.266 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.730 -3.575 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.607 -4.656 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.205 -4.139 -2.502 1.00 0.00 H new ATOM 1169 N GLU A 79 -6.772 -7.900 -4.474 1.00 0.00 N ATOM 1170 CA GLU A 79 -7.223 -9.056 -5.240 1.00 0.00 C ATOM 1171 C GLU A 79 -6.268 -9.353 -6.392 1.00 0.00 C ATOM 1172 O GLU A 79 -5.394 -8.549 -6.710 1.00 0.00 O ATOM 1173 CB GLU A 79 -8.635 -8.818 -5.781 1.00 0.00 C ATOM 1174 CG GLU A 79 -9.725 -8.997 -4.738 1.00 0.00 C ATOM 1175 CD GLU A 79 -10.986 -8.225 -5.074 1.00 0.00 C ATOM 1176 OE1 GLU A 79 -11.528 -8.425 -6.180 1.00 0.00 O ATOM 1177 OE2 GLU A 79 -11.430 -7.420 -4.228 1.00 0.00 O ATOM 0 H GLU A 79 -6.413 -7.132 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.238 -9.918 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.694 -7.808 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.819 -9.504 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.965 -10.056 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.351 -8.671 -3.768 1.00 0.00 H new ATOM 1184 N ASN A 80 -6.443 -10.515 -7.013 1.00 0.00 N ATOM 1185 CA ASN A 80 -5.596 -10.920 -8.130 1.00 0.00 C ATOM 1186 C ASN A 80 -4.161 -11.154 -7.667 1.00 0.00 C ATOM 1187 O ASN A 80 -3.210 -10.695 -8.301 1.00 0.00 O ATOM 1188 CB ASN A 80 -5.623 -9.856 -9.229 1.00 0.00 C ATOM 1189 CG ASN A 80 -6.951 -9.128 -9.297 1.00 0.00 C ATOM 1190 OD1 ASN A 80 -7.000 -7.898 -9.278 1.00 0.00 O ATOM 1191 ND2 ASN A 80 -8.038 -9.887 -9.377 1.00 0.00 N ATOM 0 H ASN A 80 -7.163 -11.193 -6.762 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.987 -11.856 -8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.825 -9.135 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.420 -10.326 -10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.960 -9.454 -9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.951 -10.903 -9.390 1.00 0.00 H new ATOM 1198 N LEU A 81 -4.012 -11.871 -6.559 1.00 0.00 N ATOM 1199 CA LEU A 81 -2.693 -12.167 -6.011 1.00 0.00 C ATOM 1200 C LEU A 81 -2.324 -13.630 -6.240 1.00 0.00 C ATOM 1201 O LEU A 81 -3.116 -14.404 -6.779 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.657 -11.849 -4.515 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.145 -10.456 -4.114 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.531 -10.430 -2.643 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -2.077 -9.412 -4.406 1.00 0.00 C ATOM 0 H LEU A 81 -4.788 -12.258 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.964 -11.542 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.263 -12.589 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.632 -11.969 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.029 -10.217 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.876 -9.431 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.329 -11.150 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.665 -10.690 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.442 -8.427 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.175 -9.647 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.849 -9.413 -5.472 1.00 0.00 H new ATOM 1217 N LEU A 82 -1.118 -14.002 -5.825 1.00 0.00 N ATOM 1218 CA LEU A 82 -0.645 -15.373 -5.983 1.00 0.00 C ATOM 1219 C LEU A 82 -0.703 -16.125 -4.657 1.00 0.00 C ATOM 1220 O LEU A 82 -0.454 -15.568 -3.588 1.00 0.00 O ATOM 1221 CB LEU A 82 0.786 -15.380 -6.523 1.00 0.00 C ATOM 1222 CG LEU A 82 0.973 -14.824 -7.936 1.00 0.00 C ATOM 1223 CD1 LEU A 82 2.442 -14.540 -8.208 1.00 0.00 C ATOM 1224 CD2 LEU A 82 0.415 -15.792 -8.968 1.00 0.00 C ATOM 0 H LEU A 82 -0.450 -13.374 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.299 -15.877 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.413 -14.805 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.155 -16.406 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 82 0.423 -13.886 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.555 -14.145 -9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.810 -13.808 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.015 -15.463 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.557 -15.380 -9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.937 -16.746 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.649 -15.945 -8.786 1.00 0.00 H new ATOM 1236 N PRO A 83 -1.038 -17.422 -4.727 1.00 0.00 N ATOM 1237 CA PRO A 83 -1.134 -18.279 -3.542 1.00 0.00 C ATOM 1238 C PRO A 83 0.228 -18.564 -2.920 1.00 0.00 C ATOM 1239 O PRO A 83 1.231 -18.679 -3.625 1.00 0.00 O ATOM 1240 CB PRO A 83 -1.753 -19.569 -4.087 1.00 0.00 C ATOM 1241 CG PRO A 83 -1.379 -19.589 -5.529 1.00 0.00 C ATOM 1242 CD PRO A 83 -1.348 -18.151 -5.968 1.00 0.00 C ATOM 0 HA PRO A 83 -1.717 -17.812 -2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.366 -20.445 -3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.835 -19.574 -3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.408 -20.062 -5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.102 -20.160 -6.112 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.591 -17.981 -6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.304 -17.839 -6.389 1.00 0.00 H new ATOM 1250 N ASP A 84 0.258 -18.676 -1.596 1.00 0.00 N ATOM 1251 CA ASP A 84 1.498 -18.949 -0.879 1.00 0.00 C ATOM 1252 C ASP A 84 2.659 -18.166 -1.484 1.00 0.00 C ATOM 1253 O ASP A 84 3.682 -18.740 -1.858 1.00 0.00 O ATOM 1254 CB ASP A 84 1.808 -20.446 -0.905 1.00 0.00 C ATOM 1255 CG ASP A 84 3.043 -20.795 -0.098 1.00 0.00 C ATOM 1256 OD1 ASP A 84 4.151 -20.784 -0.674 1.00 0.00 O ATOM 1257 OD2 ASP A 84 2.902 -21.081 1.110 1.00 0.00 O ATOM 0 H ASP A 84 -0.563 -18.582 -0.998 1.00 0.00 H new ATOM 0 HA ASP A 84 1.368 -18.631 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.954 -20.998 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.949 -20.767 -1.937 1.00 0.00 H new ATOM 1262 N THR A 85 2.493 -16.850 -1.580 1.00 0.00 N ATOM 1263 CA THR A 85 3.525 -15.988 -2.141 1.00 0.00 C ATOM 1264 C THR A 85 3.717 -14.736 -1.293 1.00 0.00 C ATOM 1265 O THR A 85 2.748 -14.092 -0.893 1.00 0.00 O ATOM 1266 CB THR A 85 3.184 -15.570 -3.584 1.00 0.00 C ATOM 1267 OG1 THR A 85 3.249 -16.706 -4.452 1.00 0.00 O ATOM 1268 CG2 THR A 85 4.141 -14.494 -4.076 1.00 0.00 C ATOM 0 H THR A 85 1.653 -16.358 -1.276 1.00 0.00 H new ATOM 0 HA THR A 85 4.450 -16.565 -2.146 1.00 0.00 H new ATOM 0 HB THR A 85 2.172 -15.165 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.589 -17.373 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.881 -14.215 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.067 -13.619 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.161 -14.877 -4.053 1.00 0.00 H new ATOM 1276 N GLN A 86 4.974 -14.397 -1.023 1.00 0.00 N ATOM 1277 CA GLN A 86 5.292 -13.221 -0.222 1.00 0.00 C ATOM 1278 C GLN A 86 4.993 -11.940 -0.993 1.00 0.00 C ATOM 1279 O GLN A 86 5.443 -11.766 -2.126 1.00 0.00 O ATOM 1280 CB GLN A 86 6.763 -13.246 0.197 1.00 0.00 C ATOM 1281 CG GLN A 86 7.168 -12.067 1.066 1.00 0.00 C ATOM 1282 CD GLN A 86 8.658 -12.031 1.344 1.00 0.00 C ATOM 1283 OE1 GLN A 86 9.475 -12.174 0.433 1.00 0.00 O ATOM 1284 NE2 GLN A 86 9.021 -11.840 2.607 1.00 0.00 N ATOM 0 H GLN A 86 5.788 -14.920 -1.347 1.00 0.00 H new ATOM 0 HA GLN A 86 4.667 -13.241 0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.962 -14.171 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.387 -13.259 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.871 -11.140 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.627 -12.114 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.311 -11.726 3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.010 -11.807 2.854 1.00 0.00 H new ATOM 1293 N TYR A 87 4.231 -11.046 -0.373 1.00 0.00 N ATOM 1294 CA TYR A 87 3.870 -9.781 -1.002 1.00 0.00 C ATOM 1295 C TYR A 87 4.150 -8.608 -0.068 1.00 0.00 C ATOM 1296 O TYR A 87 3.591 -8.523 1.026 1.00 0.00 O ATOM 1297 CB TYR A 87 2.393 -9.789 -1.400 1.00 0.00 C ATOM 1298 CG TYR A 87 2.141 -10.346 -2.783 1.00 0.00 C ATOM 1299 CD1 TYR A 87 1.909 -11.703 -2.976 1.00 0.00 C ATOM 1300 CD2 TYR A 87 2.136 -9.516 -3.897 1.00 0.00 C ATOM 1301 CE1 TYR A 87 1.680 -12.216 -4.237 1.00 0.00 C ATOM 1302 CE2 TYR A 87 1.905 -10.020 -5.162 1.00 0.00 C ATOM 1303 CZ TYR A 87 1.678 -11.371 -5.327 1.00 0.00 C ATOM 1304 OH TYR A 87 1.450 -11.877 -6.587 1.00 0.00 O ATOM 0 H TYR A 87 3.851 -11.174 0.565 1.00 0.00 H new ATOM 0 HA TYR A 87 4.481 -9.662 -1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.833 -10.377 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.007 -8.771 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.908 -12.367 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.316 -8.458 -3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.503 -13.273 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.902 -9.360 -6.017 1.00 0.00 H new ATOM 0 HH TYR A 87 1.481 -11.149 -7.242 1.00 0.00 H new ATOM 1314 N PHE A 88 5.020 -7.705 -0.508 1.00 0.00 N ATOM 1315 CA PHE A 88 5.376 -6.536 0.287 1.00 0.00 C ATOM 1316 C PHE A 88 4.324 -5.440 0.145 1.00 0.00 C ATOM 1317 O PHE A 88 4.187 -4.831 -0.917 1.00 0.00 O ATOM 1318 CB PHE A 88 6.746 -6.002 -0.137 1.00 0.00 C ATOM 1319 CG PHE A 88 7.894 -6.827 0.369 1.00 0.00 C ATOM 1320 CD1 PHE A 88 8.161 -6.908 1.727 1.00 0.00 C ATOM 1321 CD2 PHE A 88 8.706 -7.522 -0.512 1.00 0.00 C ATOM 1322 CE1 PHE A 88 9.217 -7.665 2.195 1.00 0.00 C ATOM 1323 CE2 PHE A 88 9.764 -8.282 -0.049 1.00 0.00 C ATOM 1324 CZ PHE A 88 10.019 -8.355 1.306 1.00 0.00 C ATOM 0 H PHE A 88 5.491 -7.761 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 88 5.420 -6.839 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.790 -5.961 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.856 -4.980 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.536 -6.373 2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.510 -7.470 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.416 -7.718 3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.390 -8.818 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.843 -8.950 1.670 1.00 0.00 H new ATOM 1334 N ILE A 89 3.584 -5.195 1.221 1.00 0.00 N ATOM 1335 CA ILE A 89 2.545 -4.173 1.216 1.00 0.00 C ATOM 1336 C ILE A 89 3.009 -2.914 1.941 1.00 0.00 C ATOM 1337 O ILE A 89 3.891 -2.969 2.797 1.00 0.00 O ATOM 1338 CB ILE A 89 1.250 -4.684 1.876 1.00 0.00 C ATOM 1339 CG1 ILE A 89 0.661 -5.841 1.066 1.00 0.00 C ATOM 1340 CG2 ILE A 89 0.240 -3.553 2.005 1.00 0.00 C ATOM 1341 CD1 ILE A 89 -0.111 -6.835 1.905 1.00 0.00 C ATOM 0 H ILE A 89 3.685 -5.690 2.107 1.00 0.00 H new ATOM 0 HA ILE A 89 2.342 -3.934 0.172 1.00 0.00 H new ATOM 0 HB ILE A 89 1.488 -5.049 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.002 -5.437 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.469 -6.362 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.670 -3.929 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.661 -2.757 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.004 -3.161 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.499 -7.627 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.549 -7.267 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.940 -6.328 2.399 1.00 0.00 H new ATOM 1353 N GLU A 90 2.406 -1.782 1.593 1.00 0.00 N ATOM 1354 CA GLU A 90 2.757 -0.509 2.212 1.00 0.00 C ATOM 1355 C GLU A 90 1.630 0.506 2.047 1.00 0.00 C ATOM 1356 O GLU A 90 1.173 0.767 0.934 1.00 0.00 O ATOM 1357 CB GLU A 90 4.048 0.041 1.601 1.00 0.00 C ATOM 1358 CG GLU A 90 4.528 1.329 2.251 1.00 0.00 C ATOM 1359 CD GLU A 90 5.961 1.666 1.887 1.00 0.00 C ATOM 1360 OE1 GLU A 90 6.170 2.310 0.837 1.00 0.00 O ATOM 1361 OE2 GLU A 90 6.873 1.287 2.651 1.00 0.00 O ATOM 0 H GLU A 90 1.673 -1.720 0.887 1.00 0.00 H new ATOM 0 HA GLU A 90 2.912 -0.682 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.831 -0.713 1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.890 0.218 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.877 2.149 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.444 1.239 3.334 1.00 0.00 H new ATOM 1368 N VAL A 91 1.186 1.075 3.163 1.00 0.00 N ATOM 1369 CA VAL A 91 0.113 2.062 3.143 1.00 0.00 C ATOM 1370 C VAL A 91 0.654 3.468 3.378 1.00 0.00 C ATOM 1371 O VAL A 91 1.247 3.750 4.418 1.00 0.00 O ATOM 1372 CB VAL A 91 -0.956 1.751 4.208 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.064 2.792 4.173 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -1.520 0.353 4.003 1.00 0.00 C ATOM 0 H VAL A 91 1.553 0.869 4.092 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.344 2.012 2.155 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.487 1.789 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.810 2.555 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.644 3.778 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.534 2.790 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.274 0.150 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.975 0.285 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.716 -0.379 4.084 1.00 0.00 H new ATOM 1384 N GLY A 92 0.445 4.348 2.403 1.00 0.00 N ATOM 1385 CA GLY A 92 0.918 5.714 2.523 1.00 0.00 C ATOM 1386 C GLY A 92 -0.111 6.726 2.059 1.00 0.00 C ATOM 1387 O GLY A 92 -0.573 6.674 0.920 1.00 0.00 O ATOM 0 H GLY A 92 -0.044 4.139 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.178 5.915 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.830 5.833 1.937 1.00 0.00 H new ATOM 1391 N ALA A 93 -0.471 7.650 2.945 1.00 0.00 N ATOM 1392 CA ALA A 93 -1.451 8.678 2.620 1.00 0.00 C ATOM 1393 C ALA A 93 -0.790 9.871 1.937 1.00 0.00 C ATOM 1394 O ALA A 93 0.372 10.184 2.201 1.00 0.00 O ATOM 1395 CB ALA A 93 -2.183 9.126 3.877 1.00 0.00 C ATOM 0 H ALA A 93 -0.098 7.707 3.893 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.173 8.249 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.912 9.894 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.696 8.274 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.466 9.531 4.591 1.00 0.00 H new ATOM 1401 N CYS A 94 -1.535 10.532 1.059 1.00 0.00 N ATOM 1402 CA CYS A 94 -1.020 11.690 0.337 1.00 0.00 C ATOM 1403 C CYS A 94 -2.132 12.383 -0.444 1.00 0.00 C ATOM 1404 O CYS A 94 -3.094 11.745 -0.872 1.00 0.00 O ATOM 1405 CB CYS A 94 0.100 11.267 -0.614 1.00 0.00 C ATOM 1406 SG CYS A 94 -0.211 9.708 -1.475 1.00 0.00 S ATOM 0 H CYS A 94 -2.498 10.286 0.830 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.621 12.394 1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.251 12.054 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.028 11.179 -0.049 1.00 0.00 H new ATOM 0 HG CYS A 94 0.791 9.437 -2.257 1.00 0.00 H new ATOM 1412 N ASN A 95 -1.994 13.692 -0.625 1.00 0.00 N ATOM 1413 CA ASN A 95 -2.989 14.472 -1.353 1.00 0.00 C ATOM 1414 C ASN A 95 -2.446 14.918 -2.707 1.00 0.00 C ATOM 1415 O ASN A 95 -1.263 14.745 -3.000 1.00 0.00 O ATOM 1416 CB ASN A 95 -3.410 15.693 -0.532 1.00 0.00 C ATOM 1417 CG ASN A 95 -2.239 16.598 -0.200 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -1.125 16.393 -0.683 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -2.487 17.606 0.628 1.00 0.00 N ATOM 0 H ASN A 95 -1.203 14.235 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.859 13.838 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.158 16.260 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.882 15.361 0.392 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.739 18.249 0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.426 17.738 1.004 1.00 0.00 H new ATOM 1426 N SER A 96 -3.319 15.493 -3.528 1.00 0.00 N ATOM 1427 CA SER A 96 -2.928 15.961 -4.852 1.00 0.00 C ATOM 1428 C SER A 96 -1.978 17.151 -4.750 1.00 0.00 C ATOM 1429 O SER A 96 -1.356 17.549 -5.734 1.00 0.00 O ATOM 1430 CB SER A 96 -4.165 16.351 -5.664 1.00 0.00 C ATOM 1431 OG SER A 96 -3.819 16.664 -7.002 1.00 0.00 O ATOM 0 H SER A 96 -4.301 15.646 -3.299 1.00 0.00 H new ATOM 0 HA SER A 96 -2.410 15.147 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.884 15.532 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.652 17.209 -5.201 1.00 0.00 H new ATOM 0 HG SER A 96 -2.938 17.094 -7.020 1.00 0.00 H new ATOM 1437 N ALA A 97 -1.872 17.714 -3.551 1.00 0.00 N ATOM 1438 CA ALA A 97 -0.997 18.856 -3.317 1.00 0.00 C ATOM 1439 C ALA A 97 0.440 18.407 -3.077 1.00 0.00 C ATOM 1440 O ALA A 97 1.304 18.567 -3.939 1.00 0.00 O ATOM 1441 CB ALA A 97 -1.500 19.674 -2.138 1.00 0.00 C ATOM 0 H ALA A 97 -2.382 17.398 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.010 19.481 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.837 20.523 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.507 20.035 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.518 19.051 -1.244 1.00 0.00 H new ATOM 1447 N GLY A 98 0.690 17.843 -1.899 1.00 0.00 N ATOM 1448 CA GLY A 98 2.025 17.380 -1.566 1.00 0.00 C ATOM 1449 C GLY A 98 2.071 15.890 -1.294 1.00 0.00 C ATOM 1450 O GLY A 98 1.097 15.310 -0.812 1.00 0.00 O ATOM 0 H GLY A 98 -0.008 17.698 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.703 17.618 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.384 17.918 -0.688 1.00 0.00 H new ATOM 1454 N CYS A 99 3.202 15.268 -1.605 1.00 0.00 N ATOM 1455 CA CYS A 99 3.370 13.834 -1.393 1.00 0.00 C ATOM 1456 C CYS A 99 3.863 13.548 0.021 1.00 0.00 C ATOM 1457 O CYS A 99 4.622 14.327 0.595 1.00 0.00 O ATOM 1458 CB CYS A 99 4.351 13.258 -2.415 1.00 0.00 C ATOM 1459 SG CYS A 99 4.106 11.501 -2.765 1.00 0.00 S ATOM 0 H CYS A 99 4.017 15.733 -2.005 1.00 0.00 H new ATOM 0 HA CYS A 99 2.399 13.356 -1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.261 13.819 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.367 13.407 -2.051 1.00 0.00 H new ATOM 0 HG CYS A 99 4.981 11.107 -3.642 1.00 0.00 H new ATOM 1465 N GLY A 100 3.424 12.423 0.579 1.00 0.00 N ATOM 1466 CA GLY A 100 3.829 12.055 1.923 1.00 0.00 C ATOM 1467 C GLY A 100 4.697 10.812 1.946 1.00 0.00 C ATOM 1468 O GLY A 100 4.682 10.001 1.020 1.00 0.00 O ATOM 0 H GLY A 100 2.796 11.761 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.374 12.884 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.942 11.886 2.533 1.00 0.00 H new ATOM 1472 N PRO A 101 5.478 10.650 3.025 1.00 0.00 N ATOM 1473 CA PRO A 101 6.371 9.500 3.190 1.00 0.00 C ATOM 1474 C PRO A 101 5.608 8.202 3.427 1.00 0.00 C ATOM 1475 O PRO A 101 4.568 8.176 4.086 1.00 0.00 O ATOM 1476 CB PRO A 101 7.197 9.868 4.426 1.00 0.00 C ATOM 1477 CG PRO A 101 6.334 10.809 5.192 1.00 0.00 C ATOM 1478 CD PRO A 101 5.547 11.578 4.167 1.00 0.00 C ATOM 0 HA PRO A 101 6.970 9.318 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.441 8.985 5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.141 10.335 4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.671 10.268 5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.936 11.480 5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.554 11.838 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.042 12.511 3.897 1.00 0.00 H new ATOM 1486 N PRO A 102 6.134 7.097 2.878 1.00 0.00 N ATOM 1487 CA PRO A 102 5.518 5.774 3.017 1.00 0.00 C ATOM 1488 C PRO A 102 5.619 5.234 4.439 1.00 0.00 C ATOM 1489 O PRO A 102 6.511 5.616 5.197 1.00 0.00 O ATOM 1490 CB PRO A 102 6.329 4.902 2.055 1.00 0.00 C ATOM 1491 CG PRO A 102 7.650 5.582 1.951 1.00 0.00 C ATOM 1492 CD PRO A 102 7.370 7.054 2.080 1.00 0.00 C ATOM 0 HA PRO A 102 4.451 5.796 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.435 3.886 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 102 5.844 4.829 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.326 5.243 2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.130 5.358 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.187 7.577 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 102 7.236 7.525 1.106 1.00 0.00 H new ATOM 1500 N SER A 103 4.699 4.343 4.796 1.00 0.00 N ATOM 1501 CA SER A 103 4.683 3.753 6.130 1.00 0.00 C ATOM 1502 C SER A 103 5.669 2.592 6.222 1.00 0.00 C ATOM 1503 O SER A 103 6.349 2.262 5.250 1.00 0.00 O ATOM 1504 CB SER A 103 3.274 3.269 6.479 1.00 0.00 C ATOM 1505 OG SER A 103 2.978 2.047 5.827 1.00 0.00 O ATOM 0 H SER A 103 3.955 4.014 4.180 1.00 0.00 H new ATOM 0 HA SER A 103 4.984 4.520 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.188 3.139 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.544 4.025 6.189 1.00 0.00 H new ATOM 0 HG SER A 103 2.347 2.211 5.095 1.00 0.00 H new ATOM 1511 N ASP A 104 5.740 1.977 7.397 1.00 0.00 N ATOM 1512 CA ASP A 104 6.642 0.852 7.618 1.00 0.00 C ATOM 1513 C ASP A 104 6.430 -0.229 6.562 1.00 0.00 C ATOM 1514 O ASP A 104 5.314 -0.438 6.089 1.00 0.00 O ATOM 1515 CB ASP A 104 6.429 0.267 9.015 1.00 0.00 C ATOM 1516 CG ASP A 104 7.693 -0.345 9.585 1.00 0.00 C ATOM 1517 OD1 ASP A 104 8.769 0.273 9.442 1.00 0.00 O ATOM 1518 OD2 ASP A 104 7.606 -1.443 10.174 1.00 0.00 O ATOM 0 H ASP A 104 5.184 2.238 8.211 1.00 0.00 H new ATOM 0 HA ASP A 104 7.666 1.217 7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.075 1.051 9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.648 -0.492 8.973 1.00 0.00 H new ATOM 1523 N MET A 105 7.511 -0.911 6.197 1.00 0.00 N ATOM 1524 CA MET A 105 7.443 -1.971 5.198 1.00 0.00 C ATOM 1525 C MET A 105 7.019 -3.291 5.833 1.00 0.00 C ATOM 1526 O MET A 105 7.752 -3.867 6.638 1.00 0.00 O ATOM 1527 CB MET A 105 8.797 -2.136 4.506 1.00 0.00 C ATOM 1528 CG MET A 105 8.852 -3.318 3.552 1.00 0.00 C ATOM 1529 SD MET A 105 10.241 -3.222 2.406 1.00 0.00 S ATOM 1530 CE MET A 105 9.618 -2.036 1.217 1.00 0.00 C ATOM 0 H MET A 105 8.443 -0.749 6.578 1.00 0.00 H new ATOM 0 HA MET A 105 6.696 -1.689 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.028 -1.224 3.955 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.571 -2.255 5.264 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.924 -4.241 4.127 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.922 -3.367 2.986 1.00 0.00 H new ATOM 0 HE1 MET A 105 9.962 -2.307 0.219 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.528 -2.038 1.238 1.00 0.00 H new ATOM 0 HE3 MET A 105 9.984 -1.041 1.470 1.00 0.00 H new ATOM 1540 N ILE A 106 5.833 -3.765 5.466 1.00 0.00 N ATOM 1541 CA ILE A 106 5.313 -5.018 6.000 1.00 0.00 C ATOM 1542 C ILE A 106 5.238 -6.088 4.916 1.00 0.00 C ATOM 1543 O ILE A 106 5.073 -5.780 3.736 1.00 0.00 O ATOM 1544 CB ILE A 106 3.915 -4.830 6.617 1.00 0.00 C ATOM 1545 CG1 ILE A 106 4.026 -4.162 7.990 1.00 0.00 C ATOM 1546 CG2 ILE A 106 3.201 -6.169 6.730 1.00 0.00 C ATOM 1547 CD1 ILE A 106 2.832 -3.301 8.341 1.00 0.00 C ATOM 0 H ILE A 106 5.214 -3.300 4.801 1.00 0.00 H new ATOM 0 HA ILE A 106 6.004 -5.340 6.779 1.00 0.00 H new ATOM 0 HB ILE A 106 3.330 -4.182 5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.145 -4.933 8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.926 -3.548 8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.214 -6.019 7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.095 -6.610 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.782 -6.839 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.979 -2.859 9.327 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.725 -2.508 7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.931 -3.914 8.349 1.00 0.00 H new ATOM 1559 N GLU A 107 5.360 -7.347 5.326 1.00 0.00 N ATOM 1560 CA GLU A 107 5.304 -8.463 4.389 1.00 0.00 C ATOM 1561 C GLU A 107 4.094 -9.349 4.669 1.00 0.00 C ATOM 1562 O GLU A 107 3.744 -9.594 5.824 1.00 0.00 O ATOM 1563 CB GLU A 107 6.587 -9.293 4.473 1.00 0.00 C ATOM 1564 CG GLU A 107 6.796 -9.957 5.824 1.00 0.00 C ATOM 1565 CD GLU A 107 7.529 -9.065 6.806 1.00 0.00 C ATOM 1566 OE1 GLU A 107 8.777 -9.114 6.833 1.00 0.00 O ATOM 1567 OE2 GLU A 107 6.857 -8.318 7.547 1.00 0.00 O ATOM 0 H GLU A 107 5.498 -7.619 6.299 1.00 0.00 H new ATOM 0 HA GLU A 107 5.208 -8.054 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.564 -10.061 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.440 -8.650 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.828 -10.233 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.359 -10.880 5.687 1.00 0.00 H new ATOM 1574 N ALA A 108 3.458 -9.827 3.604 1.00 0.00 N ATOM 1575 CA ALA A 108 2.288 -10.686 3.735 1.00 0.00 C ATOM 1576 C ALA A 108 2.547 -12.061 3.128 1.00 0.00 C ATOM 1577 O ALA A 108 3.375 -12.209 2.230 1.00 0.00 O ATOM 1578 CB ALA A 108 1.080 -10.036 3.077 1.00 0.00 C ATOM 0 H ALA A 108 3.734 -9.634 2.641 1.00 0.00 H new ATOM 0 HA ALA A 108 2.082 -10.819 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.213 -10.689 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.875 -9.079 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.285 -9.874 2.019 1.00 0.00 H new ATOM 1584 N PHE A 109 1.833 -13.066 3.626 1.00 0.00 N ATOM 1585 CA PHE A 109 1.987 -14.430 3.134 1.00 0.00 C ATOM 1586 C PHE A 109 0.628 -15.065 2.858 1.00 0.00 C ATOM 1587 O PHE A 109 -0.063 -15.507 3.777 1.00 0.00 O ATOM 1588 CB PHE A 109 2.762 -15.276 4.147 1.00 0.00 C ATOM 1589 CG PHE A 109 4.249 -15.247 3.940 1.00 0.00 C ATOM 1590 CD1 PHE A 109 4.974 -14.093 4.190 1.00 0.00 C ATOM 1591 CD2 PHE A 109 4.922 -16.373 3.494 1.00 0.00 C ATOM 1592 CE1 PHE A 109 6.343 -14.063 4.001 1.00 0.00 C ATOM 1593 CE2 PHE A 109 6.290 -16.349 3.303 1.00 0.00 C ATOM 1594 CZ PHE A 109 7.002 -15.192 3.556 1.00 0.00 C ATOM 0 H PHE A 109 1.143 -12.961 4.369 1.00 0.00 H new ATOM 0 HA PHE A 109 2.547 -14.392 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.536 -14.921 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.415 -16.308 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.464 -13.207 4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.371 -17.280 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.897 -13.158 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.803 -17.234 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 109 8.071 -15.171 3.406 1.00 0.00 H new ATOM 1604 N THR A 110 0.248 -15.108 1.584 1.00 0.00 N ATOM 1605 CA THR A 110 -1.028 -15.686 1.186 1.00 0.00 C ATOM 1606 C THR A 110 -1.083 -17.174 1.512 1.00 0.00 C ATOM 1607 O THR A 110 -0.071 -17.782 1.860 1.00 0.00 O ATOM 1608 CB THR A 110 -1.287 -15.493 -0.320 1.00 0.00 C ATOM 1609 OG1 THR A 110 -0.258 -16.135 -1.081 1.00 0.00 O ATOM 1610 CG2 THR A 110 -1.339 -14.014 -0.675 1.00 0.00 C ATOM 0 H THR A 110 0.807 -14.749 0.810 1.00 0.00 H new ATOM 0 HA THR A 110 -1.801 -15.164 1.750 1.00 0.00 H new ATOM 0 HB THR A 110 -2.250 -15.943 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.173 -15.695 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.523 -13.903 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.142 -13.534 -0.116 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.389 -13.545 -0.420 1.00 0.00 H new ATOM 1618 N LYS A 111 -2.272 -17.757 1.397 1.00 0.00 N ATOM 1619 CA LYS A 111 -2.459 -19.175 1.678 1.00 0.00 C ATOM 1620 C LYS A 111 -2.288 -20.008 0.412 1.00 0.00 C ATOM 1621 O LYS A 111 -2.205 -19.469 -0.692 1.00 0.00 O ATOM 1622 CB LYS A 111 -3.846 -19.419 2.278 1.00 0.00 C ATOM 1623 CG LYS A 111 -4.133 -18.578 3.509 1.00 0.00 C ATOM 1624 CD LYS A 111 -3.612 -19.243 4.772 1.00 0.00 C ATOM 1625 CE LYS A 111 -4.450 -18.869 5.985 1.00 0.00 C ATOM 1626 NZ LYS A 111 -4.096 -19.688 7.178 1.00 0.00 N ATOM 0 H LYS A 111 -3.121 -17.269 1.111 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.699 -19.480 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.602 -19.210 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.939 -20.473 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.672 -17.597 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.207 -18.417 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.618 -20.325 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.576 -18.948 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.306 -17.813 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.506 -19.004 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.689 -19.403 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.257 -20.694 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.094 -19.540 7.416 1.00 0.00 H new ATOM 1640 N LYS A 112 -2.237 -21.325 0.578 1.00 0.00 N ATOM 1641 CA LYS A 112 -2.079 -22.234 -0.552 1.00 0.00 C ATOM 1642 C LYS A 112 -3.390 -22.386 -1.316 1.00 0.00 C ATOM 1643 O LYS A 112 -4.432 -22.675 -0.728 1.00 0.00 O ATOM 1644 CB LYS A 112 -1.597 -23.603 -0.068 1.00 0.00 C ATOM 1645 CG LYS A 112 -0.113 -23.647 0.253 1.00 0.00 C ATOM 1646 CD LYS A 112 0.199 -24.697 1.306 1.00 0.00 C ATOM 1647 CE LYS A 112 0.023 -24.145 2.713 1.00 0.00 C ATOM 1648 NZ LYS A 112 1.188 -23.318 3.133 1.00 0.00 N ATOM 0 H LYS A 112 -2.303 -21.788 1.485 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.334 -21.810 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.161 -23.884 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.817 -24.348 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.450 -23.862 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.213 -22.669 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.455 -25.558 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.222 -25.050 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.885 -23.543 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.108 -24.970 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.030 -22.960 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.050 -23.899 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.298 -22.516 2.480 1.00 0.00 H new ATOM 1662 N ALA A 113 -3.331 -22.190 -2.629 1.00 0.00 N ATOM 1663 CA ALA A 113 -4.513 -22.309 -3.474 1.00 0.00 C ATOM 1664 C ALA A 113 -4.869 -23.772 -3.718 1.00 0.00 C ATOM 1665 O ALA A 113 -4.061 -24.537 -4.244 1.00 0.00 O ATOM 1666 CB ALA A 113 -4.291 -21.590 -4.796 1.00 0.00 C ATOM 0 H ALA A 113 -2.477 -21.948 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.349 -21.841 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.182 -21.687 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -4.093 -20.535 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.439 -22.032 -5.312 1.00 0.00 H new ATOM 1672 N SER A 114 -6.082 -24.153 -3.332 1.00 0.00 N ATOM 1673 CA SER A 114 -6.542 -25.526 -3.505 1.00 0.00 C ATOM 1674 C SER A 114 -7.319 -25.678 -4.809 1.00 0.00 C ATOM 1675 O SER A 114 -7.787 -24.696 -5.384 1.00 0.00 O ATOM 1676 CB SER A 114 -7.420 -25.944 -2.324 1.00 0.00 C ATOM 1677 OG SER A 114 -7.487 -27.356 -2.213 1.00 0.00 O ATOM 0 H SER A 114 -6.764 -23.531 -2.898 1.00 0.00 H new ATOM 0 HA SER A 114 -5.667 -26.174 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.020 -25.522 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.424 -25.538 -2.451 1.00 0.00 H new ATOM 0 HG SER A 114 -8.052 -27.598 -1.450 1.00 0.00 H new ATOM 1683 N GLY A 115 -7.452 -26.918 -5.270 1.00 0.00 N ATOM 1684 CA GLY A 115 -8.172 -27.177 -6.503 1.00 0.00 C ATOM 1685 C GLY A 115 -8.983 -28.457 -6.443 1.00 0.00 C ATOM 1686 O GLY A 115 -9.095 -29.098 -5.398 1.00 0.00 O ATOM 0 H GLY A 115 -7.074 -27.747 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.836 -26.339 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.463 -27.238 -7.328 1.00 0.00 H new ATOM 1690 N PRO A 116 -9.569 -28.845 -7.585 1.00 0.00 N ATOM 1691 CA PRO A 116 -10.385 -30.059 -7.684 1.00 0.00 C ATOM 1692 C PRO A 116 -9.551 -31.330 -7.564 1.00 0.00 C ATOM 1693 O PRO A 116 -10.091 -32.434 -7.498 1.00 0.00 O ATOM 1694 CB PRO A 116 -11.007 -29.956 -9.079 1.00 0.00 C ATOM 1695 CG PRO A 116 -10.060 -29.107 -9.854 1.00 0.00 C ATOM 1696 CD PRO A 116 -9.479 -28.130 -8.869 1.00 0.00 C ATOM 0 HA PRO A 116 -11.118 -30.124 -6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -11.121 -30.939 -9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -11.999 -29.506 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -9.277 -29.713 -10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -10.574 -28.587 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.448 -27.876 -9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -10.042 -27.197 -8.849 1.00 0.00 H new ATOM 1704 N SER A 117 -8.232 -31.166 -7.538 1.00 0.00 N ATOM 1705 CA SER A 117 -7.323 -32.301 -7.430 1.00 0.00 C ATOM 1706 C SER A 117 -7.899 -33.373 -6.509 1.00 0.00 C ATOM 1707 O SER A 117 -7.997 -33.179 -5.298 1.00 0.00 O ATOM 1708 CB SER A 117 -5.960 -31.842 -6.907 1.00 0.00 C ATOM 1709 OG SER A 117 -5.283 -31.055 -7.871 1.00 0.00 O ATOM 0 H SER A 117 -7.769 -30.258 -7.590 1.00 0.00 H new ATOM 0 HA SER A 117 -7.197 -32.730 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 117 -6.093 -31.266 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 117 -5.354 -32.711 -6.651 1.00 0.00 H new ATOM 0 HG SER A 117 -4.416 -30.773 -7.512 1.00 0.00 H new ATOM 1715 N SER A 118 -8.279 -34.504 -7.094 1.00 0.00 N ATOM 1716 CA SER A 118 -8.849 -35.607 -6.328 1.00 0.00 C ATOM 1717 C SER A 118 -7.767 -36.603 -5.922 1.00 0.00 C ATOM 1718 O SER A 118 -7.692 -37.018 -4.766 1.00 0.00 O ATOM 1719 CB SER A 118 -9.931 -36.316 -7.144 1.00 0.00 C ATOM 1720 OG SER A 118 -10.340 -37.518 -6.513 1.00 0.00 O ATOM 0 H SER A 118 -8.203 -34.681 -8.096 1.00 0.00 H new ATOM 0 HA SER A 118 -9.297 -35.196 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.789 -35.656 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 118 -9.553 -36.536 -8.142 1.00 0.00 H new ATOM 0 HG SER A 118 -11.033 -37.952 -7.053 1.00 0.00 H new ATOM 1726 N GLY A 119 -6.929 -36.982 -6.883 1.00 0.00 N ATOM 1727 CA GLY A 119 -5.863 -37.927 -6.607 1.00 0.00 C ATOM 1728 C GLY A 119 -5.085 -38.303 -7.852 1.00 0.00 C ATOM 1729 O GLY A 119 -5.290 -37.724 -8.919 1.00 0.00 O ATOM 0 H GLY A 119 -6.970 -36.651 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.182 -37.497 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -6.286 -38.827 -6.161 1.00 0.00 H new TER 1733 GLY A 119