USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 688 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 46 SER OG : rot 180:sc= 0.00532 USER MOD Set 1.2: A 47 ASN : amide:sc= -0.485 K(o=-0.48,f=-1.4!) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.159 K(o=0.24,f=-0.63) USER MOD Set 2.2: A 42 GLN : amide:sc= 0.396 X(o=0.24,f=0) USER MOD Single : A 1 GLY N :NH3+ -163:sc= 0.862 (180deg=0.461) USER MOD Single : A 2 SER OG : rot 40:sc= 0.131 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 5 SER OG : rot 29:sc= 0.602 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-3.7!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.449 F(o=-2.1,f=-0.45) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -51:sc= -0.738 USER MOD Single : A 59 GLN : amide:sc=-0.00899 K(o=-0.009,f=-0.64) USER MOD Single : A 61 SER OG : rot 180:sc= -0.171 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -54:sc= 1.08 USER MOD Single : A 73 THR OG1 : rot -160:sc= -0.522 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -82:sc= 1.1 USER MOD Single : A 77 SER OG : rot -34:sc= 0.103 USER MOD Single : A 79 SER OG : rot 44:sc= 0.0422 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 82 THR OG1 : rot 102:sc= 1.02 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.976 -0.668 -11.339 1.00 0.00 N ATOM 2 CA GLY A 1 6.085 -0.512 -12.778 1.00 0.00 C ATOM 3 C GLY A 1 7.507 -0.241 -13.226 1.00 0.00 C ATOM 4 O GLY A 1 8.314 -1.162 -13.347 1.00 0.00 O ATOM 0 H1 GLY A 1 5.072 -1.127 -11.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.761 -1.256 -10.993 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.016 0.267 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.719 -1.415 -13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.443 0.308 -13.101 1.00 0.00 H new ATOM 8 N SER A 2 7.815 1.028 -13.475 1.00 0.00 N ATOM 9 CA SER A 2 9.149 1.418 -13.918 1.00 0.00 C ATOM 10 C SER A 2 9.680 2.580 -13.085 1.00 0.00 C ATOM 11 O SER A 2 9.012 3.602 -12.928 1.00 0.00 O ATOM 12 CB SER A 2 9.124 1.806 -15.398 1.00 0.00 C ATOM 13 OG SER A 2 8.210 2.863 -15.633 1.00 0.00 O ATOM 0 H SER A 2 7.159 1.803 -13.378 1.00 0.00 H new ATOM 0 HA SER A 2 9.814 0.565 -13.784 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.122 2.107 -15.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.846 0.940 -15.999 1.00 0.00 H new ATOM 0 HG SER A 2 8.262 3.510 -14.899 1.00 0.00 H new ATOM 19 N SER A 3 10.886 2.415 -12.552 1.00 0.00 N ATOM 20 CA SER A 3 11.507 3.448 -11.731 1.00 0.00 C ATOM 21 C SER A 3 13.026 3.410 -11.867 1.00 0.00 C ATOM 22 O SER A 3 13.626 2.340 -11.957 1.00 0.00 O ATOM 23 CB SER A 3 11.111 3.270 -10.264 1.00 0.00 C ATOM 24 OG SER A 3 9.702 3.275 -10.112 1.00 0.00 O ATOM 0 H SER A 3 11.453 1.576 -12.674 1.00 0.00 H new ATOM 0 HA SER A 3 11.152 4.417 -12.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.517 2.332 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.547 4.071 -9.667 1.00 0.00 H new ATOM 0 HG SER A 3 9.475 3.158 -9.166 1.00 0.00 H new ATOM 30 N GLY A 4 13.643 4.588 -11.883 1.00 0.00 N ATOM 31 CA GLY A 4 15.086 4.669 -12.008 1.00 0.00 C ATOM 32 C GLY A 4 15.677 5.800 -11.190 1.00 0.00 C ATOM 33 O GLY A 4 16.246 6.742 -11.741 1.00 0.00 O ATOM 0 H GLY A 4 13.168 5.488 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.529 3.725 -11.690 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.349 4.807 -13.057 1.00 0.00 H new ATOM 37 N SER A 5 15.542 5.707 -9.871 1.00 0.00 N ATOM 38 CA SER A 5 16.062 6.734 -8.976 1.00 0.00 C ATOM 39 C SER A 5 16.317 6.162 -7.584 1.00 0.00 C ATOM 40 O SER A 5 15.411 5.627 -6.945 1.00 0.00 O ATOM 41 CB SER A 5 15.084 7.907 -8.887 1.00 0.00 C ATOM 42 OG SER A 5 13.868 7.511 -8.275 1.00 0.00 O ATOM 0 H SER A 5 15.077 4.932 -9.399 1.00 0.00 H new ATOM 0 HA SER A 5 17.008 7.091 -9.383 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.535 8.718 -8.316 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.883 8.294 -9.886 1.00 0.00 H new ATOM 0 HG SER A 5 14.041 6.779 -7.647 1.00 0.00 H new ATOM 48 N SER A 6 17.557 6.280 -7.121 1.00 0.00 N ATOM 49 CA SER A 6 17.933 5.773 -5.806 1.00 0.00 C ATOM 50 C SER A 6 18.244 6.919 -4.849 1.00 0.00 C ATOM 51 O SER A 6 18.949 7.864 -5.203 1.00 0.00 O ATOM 52 CB SER A 6 19.146 4.847 -5.922 1.00 0.00 C ATOM 53 OG SER A 6 20.225 5.499 -6.569 1.00 0.00 O ATOM 0 H SER A 6 18.318 6.722 -7.636 1.00 0.00 H new ATOM 0 HA SER A 6 17.090 5.209 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.456 4.522 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.872 3.951 -6.479 1.00 0.00 H new ATOM 0 HG SER A 6 20.988 4.887 -6.629 1.00 0.00 H new ATOM 59 N GLY A 7 17.711 6.829 -3.634 1.00 0.00 N ATOM 60 CA GLY A 7 17.942 7.865 -2.644 1.00 0.00 C ATOM 61 C GLY A 7 16.652 8.399 -2.053 1.00 0.00 C ATOM 62 O GLY A 7 16.402 9.604 -2.078 1.00 0.00 O ATOM 0 H GLY A 7 17.124 6.057 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.567 7.467 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.495 8.685 -3.103 1.00 0.00 H new ATOM 66 N VAL A 8 15.830 7.500 -1.522 1.00 0.00 N ATOM 67 CA VAL A 8 14.558 7.888 -0.922 1.00 0.00 C ATOM 68 C VAL A 8 14.292 7.103 0.357 1.00 0.00 C ATOM 69 O VAL A 8 14.976 6.123 0.649 1.00 0.00 O ATOM 70 CB VAL A 8 13.388 7.669 -1.899 1.00 0.00 C ATOM 71 CG1 VAL A 8 12.292 8.697 -1.659 1.00 0.00 C ATOM 72 CG2 VAL A 8 13.877 7.726 -3.338 1.00 0.00 C ATOM 0 H VAL A 8 16.021 6.498 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 8 14.630 8.949 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 8 12.970 6.678 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.474 8.526 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.922 8.603 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.694 9.699 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.037 7.569 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.322 8.702 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.623 6.948 -3.500 1.00 0.00 H new ATOM 82 N GLU A 9 13.293 7.541 1.117 1.00 0.00 N ATOM 83 CA GLU A 9 12.936 6.878 2.366 1.00 0.00 C ATOM 84 C GLU A 9 11.948 5.742 2.116 1.00 0.00 C ATOM 85 O GLU A 9 10.751 5.973 1.943 1.00 0.00 O ATOM 86 CB GLU A 9 12.336 7.885 3.349 1.00 0.00 C ATOM 87 CG GLU A 9 11.057 8.536 2.850 1.00 0.00 C ATOM 88 CD GLU A 9 10.761 9.850 3.547 1.00 0.00 C ATOM 89 OE1 GLU A 9 10.822 9.886 4.794 1.00 0.00 O ATOM 90 OE2 GLU A 9 10.468 10.841 2.846 1.00 0.00 O ATOM 0 H GLU A 9 12.717 8.352 0.890 1.00 0.00 H new ATOM 0 HA GLU A 9 13.844 6.457 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.132 7.381 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.072 8.662 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.136 8.708 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.222 7.852 3.002 1.00 0.00 H new ATOM 97 N VAL A 10 12.458 4.515 2.100 1.00 0.00 N ATOM 98 CA VAL A 10 11.622 3.343 1.872 1.00 0.00 C ATOM 99 C VAL A 10 11.433 2.545 3.158 1.00 0.00 C ATOM 100 O VAL A 10 12.305 1.773 3.555 1.00 0.00 O ATOM 101 CB VAL A 10 12.225 2.423 0.794 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.316 1.230 0.540 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.472 3.199 -0.490 1.00 0.00 C ATOM 0 H VAL A 10 13.446 4.307 2.242 1.00 0.00 H new ATOM 0 HA VAL A 10 10.654 3.707 1.527 1.00 0.00 H new ATOM 0 HB VAL A 10 13.183 2.048 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.759 0.592 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.195 0.662 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.342 1.581 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.898 2.534 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.529 3.604 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.166 4.016 -0.293 1.00 0.00 H new ATOM 113 N GLU A 11 10.286 2.736 3.803 1.00 0.00 N ATOM 114 CA GLU A 11 9.983 2.034 5.045 1.00 0.00 C ATOM 115 C GLU A 11 9.877 0.530 4.807 1.00 0.00 C ATOM 116 O GLU A 11 8.970 0.062 4.118 1.00 0.00 O ATOM 117 CB GLU A 11 8.680 2.559 5.649 1.00 0.00 C ATOM 118 CG GLU A 11 8.632 2.470 7.165 1.00 0.00 C ATOM 119 CD GLU A 11 7.573 3.371 7.769 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.387 2.979 7.766 1.00 0.00 O ATOM 121 OE2 GLU A 11 7.930 4.469 8.246 1.00 0.00 O ATOM 0 H GLU A 11 9.552 3.370 3.487 1.00 0.00 H new ATOM 0 HA GLU A 11 10.798 2.218 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.544 3.598 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.844 1.996 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.437 1.439 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.607 2.738 7.572 1.00 0.00 H new ATOM 128 N SER A 12 10.810 -0.222 5.382 1.00 0.00 N ATOM 129 CA SER A 12 10.825 -1.672 5.230 1.00 0.00 C ATOM 130 C SER A 12 9.885 -2.333 6.234 1.00 0.00 C ATOM 131 O SER A 12 9.696 -1.837 7.345 1.00 0.00 O ATOM 132 CB SER A 12 12.245 -2.211 5.413 1.00 0.00 C ATOM 133 OG SER A 12 12.227 -3.545 5.890 1.00 0.00 O ATOM 0 H SER A 12 11.566 0.149 5.958 1.00 0.00 H new ATOM 0 HA SER A 12 10.480 -1.910 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.779 -2.168 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.790 -1.578 6.114 1.00 0.00 H new ATOM 0 HG SER A 12 13.147 -3.867 5.997 1.00 0.00 H new ATOM 139 N PHE A 13 9.297 -3.455 5.833 1.00 0.00 N ATOM 140 CA PHE A 13 8.375 -4.185 6.695 1.00 0.00 C ATOM 141 C PHE A 13 8.546 -5.691 6.524 1.00 0.00 C ATOM 142 O PHE A 13 9.107 -6.155 5.530 1.00 0.00 O ATOM 143 CB PHE A 13 6.930 -3.786 6.386 1.00 0.00 C ATOM 144 CG PHE A 13 6.507 -2.505 7.047 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.760 -1.283 6.445 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.856 -2.523 8.270 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.373 -0.103 7.052 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.466 -1.346 8.881 1.00 0.00 C ATOM 149 CZ PHE A 13 5.724 -0.135 8.271 1.00 0.00 C ATOM 0 H PHE A 13 9.443 -3.879 4.917 1.00 0.00 H new ATOM 0 HA PHE A 13 8.603 -3.927 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.812 -3.685 5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.264 -4.588 6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.265 -1.252 5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.651 -3.468 8.752 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.578 0.843 6.574 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.960 -1.374 9.835 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.419 0.786 8.746 1.00 0.00 H new ATOM 159 N LEU A 14 8.060 -6.451 7.499 1.00 0.00 N ATOM 160 CA LEU A 14 8.159 -7.906 7.457 1.00 0.00 C ATOM 161 C LEU A 14 7.000 -8.552 8.209 1.00 0.00 C ATOM 162 O LEU A 14 6.735 -8.223 9.365 1.00 0.00 O ATOM 163 CB LEU A 14 9.489 -8.363 8.057 1.00 0.00 C ATOM 164 CG LEU A 14 9.914 -9.797 7.735 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.814 -10.777 8.115 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.264 -9.931 6.261 1.00 0.00 C ATOM 0 H LEU A 14 7.593 -6.084 8.328 1.00 0.00 H new ATOM 0 HA LEU A 14 8.111 -8.219 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.272 -7.687 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.431 -8.257 9.140 1.00 0.00 H new ATOM 0 HG LEU A 14 10.802 -10.033 8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.134 -11.792 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.611 -10.700 9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.908 -10.542 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.564 -10.957 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.394 -9.676 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.085 -9.256 6.019 1.00 0.00 H new ATOM 178 N VAL A 15 6.312 -9.476 7.545 1.00 0.00 N ATOM 179 CA VAL A 15 5.184 -10.172 8.151 1.00 0.00 C ATOM 180 C VAL A 15 5.046 -11.585 7.595 1.00 0.00 C ATOM 181 O VAL A 15 5.878 -12.038 6.808 1.00 0.00 O ATOM 182 CB VAL A 15 3.865 -9.410 7.919 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.912 -8.045 8.588 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.583 -9.274 6.431 1.00 0.00 C ATOM 0 H VAL A 15 6.517 -9.760 6.587 1.00 0.00 H new ATOM 0 HA VAL A 15 5.382 -10.224 9.222 1.00 0.00 H new ATOM 0 HB VAL A 15 3.052 -9.980 8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.972 -7.522 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.064 -8.170 9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.734 -7.463 8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.648 -8.733 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.396 -8.726 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.502 -10.265 5.984 1.00 0.00 H new ATOM 194 N HIS A 16 3.990 -12.278 8.010 1.00 0.00 N ATOM 195 CA HIS A 16 3.743 -13.641 7.553 1.00 0.00 C ATOM 196 C HIS A 16 2.302 -13.801 7.078 1.00 0.00 C ATOM 197 O HIS A 16 1.457 -12.927 7.274 1.00 0.00 O ATOM 198 CB HIS A 16 4.037 -14.638 8.673 1.00 0.00 C ATOM 199 CG HIS A 16 2.810 -15.288 9.235 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.723 -16.640 9.488 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.615 -14.762 9.594 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.527 -16.919 9.977 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.836 -15.796 10.051 1.00 0.00 N ATOM 0 H HIS A 16 3.292 -11.918 8.661 1.00 0.00 H new ATOM 0 HA HIS A 16 4.408 -13.843 6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.706 -15.411 8.294 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.566 -14.124 9.476 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.328 -13.723 9.532 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.175 -17.898 10.267 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.121 -15.711 10.392 1.00 0.00 H new ATOM 212 N PRO A 17 2.012 -14.944 6.438 1.00 0.00 N ATOM 213 CA PRO A 17 0.674 -15.245 5.922 1.00 0.00 C ATOM 214 C PRO A 17 -0.334 -15.500 7.038 1.00 0.00 C ATOM 215 O PRO A 17 -0.452 -16.619 7.537 1.00 0.00 O ATOM 216 CB PRO A 17 0.890 -16.516 5.096 1.00 0.00 C ATOM 217 CG PRO A 17 2.094 -17.157 5.695 1.00 0.00 C ATOM 218 CD PRO A 17 2.970 -16.030 6.170 1.00 0.00 C ATOM 0 HA PRO A 17 0.261 -14.414 5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.023 -17.175 5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.049 -16.282 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.817 -17.811 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.614 -17.773 4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.528 -16.304 7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.701 -15.743 5.414 1.00 0.00 H new ATOM 226 N GLY A 18 -1.058 -14.455 7.426 1.00 0.00 N ATOM 227 CA GLY A 18 -2.047 -14.587 8.480 1.00 0.00 C ATOM 228 C GLY A 18 -1.992 -13.443 9.473 1.00 0.00 C ATOM 229 O GLY A 18 -2.902 -13.273 10.285 1.00 0.00 O ATOM 0 H GLY A 18 -0.977 -13.519 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.042 -14.632 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.889 -15.529 9.006 1.00 0.00 H new ATOM 233 N ASP A 19 -0.923 -12.658 9.409 1.00 0.00 N ATOM 234 CA ASP A 19 -0.753 -11.523 10.310 1.00 0.00 C ATOM 235 C ASP A 19 -1.558 -10.321 9.828 1.00 0.00 C ATOM 236 O ASP A 19 -2.320 -10.416 8.865 1.00 0.00 O ATOM 237 CB ASP A 19 0.727 -11.151 10.422 1.00 0.00 C ATOM 238 CG ASP A 19 1.441 -11.935 11.505 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.812 -12.839 12.097 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.628 -11.646 11.762 1.00 0.00 O ATOM 0 H ASP A 19 -0.161 -12.786 8.743 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.122 -11.813 11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.217 -11.330 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.816 -10.085 10.631 1.00 0.00 H new ATOM 245 N LEU A 20 -1.384 -9.190 10.503 1.00 0.00 N ATOM 246 CA LEU A 20 -2.095 -7.968 10.145 1.00 0.00 C ATOM 247 C LEU A 20 -1.136 -6.926 9.579 1.00 0.00 C ATOM 248 O LEU A 20 -0.357 -6.318 10.315 1.00 0.00 O ATOM 249 CB LEU A 20 -2.821 -7.400 11.365 1.00 0.00 C ATOM 250 CG LEU A 20 -3.678 -6.158 11.119 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.866 -6.497 10.232 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.148 -5.563 12.438 1.00 0.00 C ATOM 0 H LEU A 20 -0.756 -9.094 11.301 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.828 -8.216 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.459 -8.181 11.779 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.078 -7.159 12.125 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.067 -5.415 10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.465 -5.601 10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.509 -6.875 9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.477 -7.258 10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.756 -4.680 12.243 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.742 -6.300 12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.283 -5.282 13.039 1.00 0.00 H new ATOM 264 N LEU A 21 -1.198 -6.722 8.267 1.00 0.00 N ATOM 265 CA LEU A 21 -0.336 -5.751 7.602 1.00 0.00 C ATOM 266 C LEU A 21 -0.863 -4.333 7.796 1.00 0.00 C ATOM 267 O LEU A 21 -1.881 -3.954 7.219 1.00 0.00 O ATOM 268 CB LEU A 21 -0.234 -6.069 6.109 1.00 0.00 C ATOM 269 CG LEU A 21 0.606 -5.103 5.273 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.067 -5.170 5.688 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.456 -5.411 3.790 1.00 0.00 C ATOM 0 H LEU A 21 -1.836 -7.216 7.643 1.00 0.00 H new ATOM 0 HA LEU A 21 0.656 -5.815 8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.183 -7.070 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.242 -6.096 5.694 1.00 0.00 H new ATOM 0 HG LEU A 21 0.245 -4.090 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.650 -4.476 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.159 -4.899 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.441 -6.183 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.061 -4.714 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.790 -6.430 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.590 -5.310 3.501 1.00 0.00 H new ATOM 283 N GLN A 22 -0.160 -3.553 8.612 1.00 0.00 N ATOM 284 CA GLN A 22 -0.556 -2.176 8.880 1.00 0.00 C ATOM 285 C GLN A 22 0.484 -1.196 8.346 1.00 0.00 C ATOM 286 O GLN A 22 1.687 -1.392 8.526 1.00 0.00 O ATOM 287 CB GLN A 22 -0.750 -1.963 10.383 1.00 0.00 C ATOM 288 CG GLN A 22 -2.142 -2.328 10.874 1.00 0.00 C ATOM 289 CD GLN A 22 -2.457 -1.731 12.231 1.00 0.00 C ATOM 290 OE1 GLN A 22 -3.024 -2.541 13.117 1.00 0.00 O flip ATOM 291 NE2 GLN A 22 -2.193 -0.555 12.482 1.00 0.00 N flip ATOM 0 H GLN A 22 0.686 -3.851 9.098 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.500 -1.990 8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.015 -2.559 10.924 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.552 -0.918 10.622 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.880 -1.984 10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.231 -3.413 10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.757 0.033 11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.410 -0.168 13.401 1.00 0.00 H new ATOM 300 N LEU A 23 0.013 -0.142 7.688 1.00 0.00 N ATOM 301 CA LEU A 23 0.903 0.869 7.127 1.00 0.00 C ATOM 302 C LEU A 23 0.435 2.272 7.499 1.00 0.00 C ATOM 303 O LEU A 23 -0.646 2.448 8.062 1.00 0.00 O ATOM 304 CB LEU A 23 0.971 0.728 5.605 1.00 0.00 C ATOM 305 CG LEU A 23 1.502 -0.606 5.078 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.417 -0.652 3.560 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.934 -0.830 5.541 1.00 0.00 C ATOM 0 H LEU A 23 -0.979 0.035 7.530 1.00 0.00 H new ATOM 0 HA LEU A 23 1.898 0.715 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.029 0.883 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.601 1.527 5.214 1.00 0.00 H new ATOM 0 HG LEU A 23 0.882 -1.407 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.799 -1.608 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.378 -0.538 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.013 0.157 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.296 -1.784 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.567 -0.025 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.966 -0.842 6.630 1.00 0.00 H new ATOM 319 N ARG A 24 1.254 3.268 7.178 1.00 0.00 N ATOM 320 CA ARG A 24 0.924 4.656 7.477 1.00 0.00 C ATOM 321 C ARG A 24 1.596 5.601 6.484 1.00 0.00 C ATOM 322 O ARG A 24 2.730 5.372 6.063 1.00 0.00 O ATOM 323 CB ARG A 24 1.352 5.009 8.903 1.00 0.00 C ATOM 324 CG ARG A 24 0.544 6.139 9.519 1.00 0.00 C ATOM 325 CD ARG A 24 1.050 6.491 10.909 1.00 0.00 C ATOM 326 NE ARG A 24 2.433 6.958 10.887 1.00 0.00 N ATOM 327 CZ ARG A 24 3.483 6.148 10.950 1.00 0.00 C ATOM 328 NH1 ARG A 24 3.309 4.837 11.038 1.00 0.00 N ATOM 329 NH2 ARG A 24 4.712 6.649 10.924 1.00 0.00 N ATOM 0 H ARG A 24 2.151 3.139 6.711 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.156 4.773 7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.259 4.123 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.406 5.288 8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.598 7.018 8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.505 5.849 9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.414 7.263 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.973 5.616 11.555 1.00 0.00 H new ATOM 0 HE ARG A 24 2.602 7.962 10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.366 4.448 11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.118 4.217 11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.850 7.657 10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.518 6.026 10.972 1.00 0.00 H new ATOM 343 N CYS A 25 0.888 6.663 6.115 1.00 0.00 N ATOM 344 CA CYS A 25 1.414 7.643 5.172 1.00 0.00 C ATOM 345 C CYS A 25 1.674 8.978 5.863 1.00 0.00 C ATOM 346 O CYS A 25 0.789 9.535 6.513 1.00 0.00 O ATOM 347 CB CYS A 25 0.438 7.839 4.010 1.00 0.00 C ATOM 348 SG CYS A 25 1.008 9.026 2.752 1.00 0.00 S ATOM 0 H CYS A 25 -0.052 6.867 6.455 1.00 0.00 H new ATOM 0 HA CYS A 25 2.360 7.265 4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.261 6.876 3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.519 8.178 4.407 1.00 0.00 H new ATOM 353 N ARG A 26 2.893 9.486 5.718 1.00 0.00 N ATOM 354 CA ARG A 26 3.271 10.755 6.328 1.00 0.00 C ATOM 355 C ARG A 26 2.479 11.908 5.719 1.00 0.00 C ATOM 356 O ARG A 26 2.617 12.212 4.533 1.00 0.00 O ATOM 357 CB ARG A 26 4.770 11.004 6.153 1.00 0.00 C ATOM 358 CG ARG A 26 5.626 10.336 7.217 1.00 0.00 C ATOM 359 CD ARG A 26 7.095 10.327 6.825 1.00 0.00 C ATOM 360 NE ARG A 26 7.970 10.166 7.983 1.00 0.00 N ATOM 361 CZ ARG A 26 8.343 11.171 8.768 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.918 12.402 8.520 1.00 0.00 N ATOM 363 NH2 ARG A 26 9.141 10.945 9.804 1.00 0.00 N ATOM 0 H ARG A 26 3.637 9.038 5.183 1.00 0.00 H new ATOM 0 HA ARG A 26 3.041 10.700 7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.078 10.643 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.956 12.078 6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.504 10.860 8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.283 9.313 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.277 9.517 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.339 11.258 6.313 1.00 0.00 H new ATOM 0 HE ARG A 26 8.314 9.231 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.303 12.579 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.205 13.172 9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.469 9.999 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.427 11.717 10.406 1.00 0.00 H new ATOM 377 N LEU A 27 1.648 12.546 6.536 1.00 0.00 N ATOM 378 CA LEU A 27 0.833 13.666 6.078 1.00 0.00 C ATOM 379 C LEU A 27 1.305 14.974 6.704 1.00 0.00 C ATOM 380 O LEU A 27 2.274 14.997 7.463 1.00 0.00 O ATOM 381 CB LEU A 27 -0.638 13.424 6.421 1.00 0.00 C ATOM 382 CG LEU A 27 -1.307 12.244 5.715 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.814 12.289 5.911 1.00 0.00 C ATOM 384 CD2 LEU A 27 -0.960 12.242 4.234 1.00 0.00 C ATOM 0 H LEU A 27 1.521 12.307 7.519 1.00 0.00 H new ATOM 0 HA LEU A 27 0.940 13.744 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.719 13.271 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.199 14.328 6.185 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.931 11.321 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.273 11.442 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.044 12.240 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.207 13.217 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.445 11.395 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.306 13.169 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.120 12.160 4.114 1.00 0.00 H new ATOM 396 N ARG A 28 0.612 16.062 6.382 1.00 0.00 N ATOM 397 CA ARG A 28 0.960 17.374 6.913 1.00 0.00 C ATOM 398 C ARG A 28 -0.270 18.276 6.981 1.00 0.00 C ATOM 399 O ARG A 28 -1.365 17.880 6.582 1.00 0.00 O ATOM 400 CB ARG A 28 2.039 18.029 6.048 1.00 0.00 C ATOM 401 CG ARG A 28 1.683 18.089 4.572 1.00 0.00 C ATOM 402 CD ARG A 28 2.926 18.048 3.697 1.00 0.00 C ATOM 403 NE ARG A 28 3.632 19.326 3.690 1.00 0.00 N ATOM 404 CZ ARG A 28 4.818 19.508 3.121 1.00 0.00 C ATOM 405 NH1 ARG A 28 5.427 18.498 2.515 1.00 0.00 N ATOM 406 NH2 ARG A 28 5.397 20.701 3.156 1.00 0.00 N ATOM 0 H ARG A 28 -0.193 16.060 5.756 1.00 0.00 H new ATOM 0 HA ARG A 28 1.347 17.239 7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.219 19.041 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.972 17.477 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.031 17.253 4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.123 19.002 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.596 17.266 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.643 17.784 2.678 1.00 0.00 H new ATOM 0 HE ARG A 28 3.190 20.123 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.985 17.579 2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.338 18.640 2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.931 21.481 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.308 20.839 2.718 1.00 0.00 H new ATOM 420 N ASP A 29 -0.079 19.489 7.487 1.00 0.00 N ATOM 421 CA ASP A 29 -1.172 20.448 7.607 1.00 0.00 C ATOM 422 C ASP A 29 -1.490 21.080 6.256 1.00 0.00 C ATOM 423 O ASP A 29 -2.272 22.027 6.171 1.00 0.00 O ATOM 424 CB ASP A 29 -0.816 21.535 8.622 1.00 0.00 C ATOM 425 CG ASP A 29 0.163 21.049 9.672 1.00 0.00 C ATOM 426 OD1 ASP A 29 1.385 21.121 9.424 1.00 0.00 O ATOM 427 OD2 ASP A 29 -0.292 20.596 10.743 1.00 0.00 O ATOM 0 H ASP A 29 0.822 19.832 7.821 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.056 19.913 7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.388 22.390 8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.726 21.883 9.111 1.00 0.00 H new ATOM 432 N ASP A 30 -0.878 20.551 5.202 1.00 0.00 N ATOM 433 CA ASP A 30 -1.096 21.064 3.854 1.00 0.00 C ATOM 434 C ASP A 30 -1.747 20.005 2.969 1.00 0.00 C ATOM 435 O ASP A 30 -2.573 20.320 2.113 1.00 0.00 O ATOM 436 CB ASP A 30 0.228 21.518 3.238 1.00 0.00 C ATOM 437 CG ASP A 30 1.124 22.216 4.242 1.00 0.00 C ATOM 438 OD1 ASP A 30 1.561 21.555 5.208 1.00 0.00 O ATOM 439 OD2 ASP A 30 1.391 23.422 4.062 1.00 0.00 O ATOM 0 H ASP A 30 -0.227 19.767 5.255 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.768 21.919 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.750 20.653 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.026 22.192 2.405 1.00 0.00 H new ATOM 444 N VAL A 31 -1.367 18.749 3.181 1.00 0.00 N ATOM 445 CA VAL A 31 -1.913 17.644 2.402 1.00 0.00 C ATOM 446 C VAL A 31 -3.396 17.853 2.117 1.00 0.00 C ATOM 447 O VAL A 31 -4.147 18.301 2.983 1.00 0.00 O ATOM 448 CB VAL A 31 -1.726 16.299 3.129 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.710 15.266 2.603 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.294 15.808 2.979 1.00 0.00 C ATOM 0 H VAL A 31 -0.683 18.471 3.885 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.365 17.619 1.460 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.926 16.448 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.563 14.322 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.729 15.617 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.545 15.117 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.179 14.857 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.064 15.674 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.389 16.541 3.409 1.00 0.00 H new ATOM 460 N GLN A 32 -3.811 17.523 0.898 1.00 0.00 N ATOM 461 CA GLN A 32 -5.206 17.675 0.500 1.00 0.00 C ATOM 462 C GLN A 32 -5.860 16.315 0.280 1.00 0.00 C ATOM 463 O GLN A 32 -7.019 16.107 0.638 1.00 0.00 O ATOM 464 CB GLN A 32 -5.305 18.514 -0.775 1.00 0.00 C ATOM 465 CG GLN A 32 -4.824 19.945 -0.600 1.00 0.00 C ATOM 466 CD GLN A 32 -5.511 20.911 -1.546 1.00 0.00 C ATOM 467 OE1 GLN A 32 -6.730 21.081 -1.502 1.00 0.00 O ATOM 468 NE2 GLN A 32 -4.730 21.552 -2.408 1.00 0.00 N ATOM 0 H GLN A 32 -3.202 17.149 0.170 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.734 18.186 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.720 18.036 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.341 18.526 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.001 20.261 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.747 19.985 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.724 21.381 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.136 22.215 -3.068 1.00 0.00 H new ATOM 477 N SER A 33 -5.109 15.391 -0.313 1.00 0.00 N ATOM 478 CA SER A 33 -5.618 14.052 -0.585 1.00 0.00 C ATOM 479 C SER A 33 -4.503 13.016 -0.477 1.00 0.00 C ATOM 480 O SER A 33 -3.354 13.352 -0.193 1.00 0.00 O ATOM 481 CB SER A 33 -6.249 13.996 -1.977 1.00 0.00 C ATOM 482 OG SER A 33 -7.286 13.032 -2.029 1.00 0.00 O ATOM 0 H SER A 33 -4.147 15.546 -0.614 1.00 0.00 H new ATOM 0 HA SER A 33 -6.379 13.821 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.646 14.977 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.486 13.753 -2.716 1.00 0.00 H new ATOM 0 HG SER A 33 -7.674 13.017 -2.929 1.00 0.00 H new ATOM 488 N ILE A 34 -4.853 11.754 -0.707 1.00 0.00 N ATOM 489 CA ILE A 34 -3.883 10.669 -0.637 1.00 0.00 C ATOM 490 C ILE A 34 -4.116 9.651 -1.749 1.00 0.00 C ATOM 491 O ILE A 34 -5.256 9.324 -2.076 1.00 0.00 O ATOM 492 CB ILE A 34 -3.941 9.948 0.723 1.00 0.00 C ATOM 493 CG1 ILE A 34 -4.039 10.967 1.861 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.720 9.059 0.904 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.435 10.356 3.186 1.00 0.00 C ATOM 0 H ILE A 34 -5.800 11.459 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.898 11.119 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.831 9.319 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.077 11.467 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.767 11.732 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.776 8.556 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.691 8.314 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.817 9.668 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.485 11.136 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.411 9.880 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.695 9.611 3.479 1.00 0.00 H new ATOM 507 N ASN A 35 -3.027 9.153 -2.325 1.00 0.00 N ATOM 508 CA ASN A 35 -3.112 8.171 -3.400 1.00 0.00 C ATOM 509 C ASN A 35 -2.251 6.950 -3.091 1.00 0.00 C ATOM 510 O ASN A 35 -1.028 6.989 -3.229 1.00 0.00 O ATOM 511 CB ASN A 35 -2.673 8.797 -4.726 1.00 0.00 C ATOM 512 CG ASN A 35 -3.309 8.119 -5.924 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.533 8.089 -6.057 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.479 7.569 -6.803 1.00 0.00 N ATOM 0 H ASN A 35 -2.075 9.413 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.150 7.849 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.935 9.855 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.588 8.737 -4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.849 7.098 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.471 7.618 -6.653 1.00 0.00 H new ATOM 521 N TRP A 36 -2.897 5.869 -2.673 1.00 0.00 N ATOM 522 CA TRP A 36 -2.191 4.635 -2.344 1.00 0.00 C ATOM 523 C TRP A 36 -1.830 3.862 -3.608 1.00 0.00 C ATOM 524 O TRP A 36 -2.635 3.756 -4.534 1.00 0.00 O ATOM 525 CB TRP A 36 -3.047 3.763 -1.425 1.00 0.00 C ATOM 526 CG TRP A 36 -2.968 4.164 0.017 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.913 4.842 0.732 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.884 3.912 0.918 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.481 5.028 2.024 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.240 4.465 2.164 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.648 3.271 0.795 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.404 4.397 3.275 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.181 3.204 1.899 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.200 3.764 3.126 1.00 0.00 C ATOM 0 H TRP A 36 -3.909 5.821 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.269 4.900 -1.826 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.086 3.813 -1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.731 2.724 -1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.860 5.182 0.340 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.000 5.508 2.759 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.346 2.836 -0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.695 4.829 4.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.139 2.712 1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.470 3.695 3.970 1.00 0.00 H new ATOM 545 N LEU A 37 -0.616 3.324 -3.640 1.00 0.00 N ATOM 546 CA LEU A 37 -0.148 2.559 -4.791 1.00 0.00 C ATOM 547 C LEU A 37 0.572 1.291 -4.346 1.00 0.00 C ATOM 548 O LEU A 37 0.962 1.161 -3.185 1.00 0.00 O ATOM 549 CB LEU A 37 0.784 3.414 -5.651 1.00 0.00 C ATOM 550 CG LEU A 37 0.142 4.612 -6.350 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.156 5.732 -6.530 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.441 4.197 -7.693 1.00 0.00 C ATOM 0 H LEU A 37 0.062 3.403 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.017 2.272 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.595 3.779 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.234 2.774 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.669 4.982 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.681 6.576 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.526 6.048 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.989 5.375 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.894 5.063 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.352 3.801 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.200 3.430 -7.539 1.00 0.00 H new ATOM 564 N ARG A 38 0.748 0.358 -5.276 1.00 0.00 N ATOM 565 CA ARG A 38 1.423 -0.900 -4.980 1.00 0.00 C ATOM 566 C ARG A 38 2.089 -1.467 -6.230 1.00 0.00 C ATOM 567 O ARG A 38 1.415 -1.827 -7.195 1.00 0.00 O ATOM 568 CB ARG A 38 0.429 -1.915 -4.413 1.00 0.00 C ATOM 569 CG ARG A 38 1.082 -3.194 -3.915 1.00 0.00 C ATOM 570 CD ARG A 38 0.202 -3.912 -2.904 1.00 0.00 C ATOM 571 NE ARG A 38 -0.852 -4.690 -3.550 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.626 -5.802 -4.240 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.610 -6.264 -4.373 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.637 -6.455 -4.799 1.00 0.00 N ATOM 0 H ARG A 38 0.432 0.450 -6.242 1.00 0.00 H new ATOM 0 HA ARG A 38 2.195 -0.703 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.120 -1.454 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.301 -2.166 -5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.282 -3.854 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.044 -2.959 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.817 -4.572 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.247 -3.182 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.814 -4.361 -3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.390 -5.765 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.781 -7.118 -4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.589 -6.103 -4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.462 -7.309 -5.329 1.00 0.00 H new ATOM 588 N ASP A 39 3.415 -1.543 -6.205 1.00 0.00 N ATOM 589 CA ASP A 39 4.172 -2.067 -7.335 1.00 0.00 C ATOM 590 C ASP A 39 3.928 -1.230 -8.587 1.00 0.00 C ATOM 591 O ASP A 39 4.049 -1.722 -9.708 1.00 0.00 O ATOM 592 CB ASP A 39 3.793 -3.525 -7.599 1.00 0.00 C ATOM 593 CG ASP A 39 4.569 -4.492 -6.726 1.00 0.00 C ATOM 594 OD1 ASP A 39 4.130 -4.744 -5.585 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.614 -4.997 -7.185 1.00 0.00 O ATOM 0 H ASP A 39 3.988 -1.248 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 39 5.232 -2.015 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.725 -3.657 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.975 -3.761 -8.648 1.00 0.00 H new ATOM 600 N GLY A 40 3.584 0.039 -8.387 1.00 0.00 N ATOM 601 CA GLY A 40 3.327 0.923 -9.509 1.00 0.00 C ATOM 602 C GLY A 40 1.908 0.805 -10.028 1.00 0.00 C ATOM 603 O GLY A 40 1.685 0.722 -11.236 1.00 0.00 O ATOM 0 H GLY A 40 3.479 0.470 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.515 1.953 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.025 0.695 -10.314 1.00 0.00 H new ATOM 607 N VAL A 41 0.944 0.795 -9.112 1.00 0.00 N ATOM 608 CA VAL A 41 -0.462 0.685 -9.484 1.00 0.00 C ATOM 609 C VAL A 41 -1.369 1.113 -8.336 1.00 0.00 C ATOM 610 O VAL A 41 -1.036 0.924 -7.166 1.00 0.00 O ATOM 611 CB VAL A 41 -0.822 -0.755 -9.898 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.963 -1.644 -8.672 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.099 -0.767 -10.725 1.00 0.00 C ATOM 0 H VAL A 41 1.111 0.862 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.618 1.350 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.014 -1.151 -10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.217 -2.657 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.021 -1.659 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.752 -1.254 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.339 -1.792 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.918 -0.353 -10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.957 -0.165 -11.623 1.00 0.00 H new ATOM 623 N GLN A 42 -2.516 1.691 -8.679 1.00 0.00 N ATOM 624 CA GLN A 42 -3.471 2.146 -7.676 1.00 0.00 C ATOM 625 C GLN A 42 -3.855 1.010 -6.733 1.00 0.00 C ATOM 626 O GLN A 42 -4.245 -0.072 -7.175 1.00 0.00 O ATOM 627 CB GLN A 42 -4.723 2.709 -8.352 1.00 0.00 C ATOM 628 CG GLN A 42 -5.791 3.166 -7.371 1.00 0.00 C ATOM 629 CD GLN A 42 -5.631 4.619 -6.969 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.406 5.479 -7.387 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.622 4.900 -6.153 1.00 0.00 N ATOM 0 H GLN A 42 -2.806 1.855 -9.643 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.997 2.934 -7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.438 3.550 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.145 1.947 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.775 3.023 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.752 2.540 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.004 4.155 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.465 5.861 -5.848 1.00 0.00 H new ATOM 640 N LEU A 43 -3.741 1.262 -5.434 1.00 0.00 N ATOM 641 CA LEU A 43 -4.076 0.260 -4.428 1.00 0.00 C ATOM 642 C LEU A 43 -5.579 0.226 -4.173 1.00 0.00 C ATOM 643 O LEU A 43 -6.259 1.247 -4.272 1.00 0.00 O ATOM 644 CB LEU A 43 -3.332 0.550 -3.123 1.00 0.00 C ATOM 645 CG LEU A 43 -3.423 -0.529 -2.044 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.867 -1.848 -2.560 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.685 -0.091 -0.788 1.00 0.00 C ATOM 0 H LEU A 43 -3.419 2.151 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.768 -0.715 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.280 0.714 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.716 1.483 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.473 -0.675 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.940 -2.604 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.440 -2.169 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.822 -1.717 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.760 -0.871 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.636 0.084 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.129 0.828 -0.407 1.00 0.00 H new ATOM 659 N ALA A 44 -6.091 -0.955 -3.842 1.00 0.00 N ATOM 660 CA ALA A 44 -7.513 -1.121 -3.568 1.00 0.00 C ATOM 661 C ALA A 44 -7.737 -1.824 -2.233 1.00 0.00 C ATOM 662 O ALA A 44 -6.808 -2.388 -1.656 1.00 0.00 O ATOM 663 CB ALA A 44 -8.180 -1.898 -4.693 1.00 0.00 C ATOM 0 H ALA A 44 -5.542 -1.811 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.964 -0.130 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.242 -2.015 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.059 -1.356 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.717 -2.881 -4.780 1.00 0.00 H new ATOM 669 N GLU A 45 -8.974 -1.784 -1.748 1.00 0.00 N ATOM 670 CA GLU A 45 -9.317 -2.416 -0.480 1.00 0.00 C ATOM 671 C GLU A 45 -10.165 -3.664 -0.706 1.00 0.00 C ATOM 672 O GLU A 45 -10.738 -3.852 -1.779 1.00 0.00 O ATOM 673 CB GLU A 45 -10.069 -1.432 0.419 1.00 0.00 C ATOM 674 CG GLU A 45 -9.623 0.011 0.249 1.00 0.00 C ATOM 675 CD GLU A 45 -10.656 1.003 0.746 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.396 0.665 1.693 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.723 2.118 0.188 1.00 0.00 O ATOM 0 H GLU A 45 -9.754 -1.321 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.390 -2.711 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.136 -1.501 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.932 -1.726 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.688 0.164 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.418 0.202 -0.804 1.00 0.00 H new ATOM 684 N SER A 46 -10.239 -4.515 0.313 1.00 0.00 N ATOM 685 CA SER A 46 -11.013 -5.748 0.224 1.00 0.00 C ATOM 686 C SER A 46 -11.354 -6.276 1.615 1.00 0.00 C ATOM 687 O SER A 46 -10.913 -5.728 2.624 1.00 0.00 O ATOM 688 CB SER A 46 -10.236 -6.807 -0.560 1.00 0.00 C ATOM 689 OG SER A 46 -11.103 -7.814 -1.054 1.00 0.00 O ATOM 0 H SER A 46 -9.773 -4.373 1.209 1.00 0.00 H new ATOM 0 HA SER A 46 -11.943 -5.528 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.710 -6.336 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.479 -7.257 0.082 1.00 0.00 H new ATOM 0 HG SER A 46 -10.583 -8.478 -1.553 1.00 0.00 H new ATOM 695 N ASN A 47 -12.142 -7.346 1.658 1.00 0.00 N ATOM 696 CA ASN A 47 -12.543 -7.949 2.923 1.00 0.00 C ATOM 697 C ASN A 47 -11.384 -7.952 3.916 1.00 0.00 C ATOM 698 O ASN A 47 -11.589 -7.848 5.125 1.00 0.00 O ATOM 699 CB ASN A 47 -13.039 -9.379 2.696 1.00 0.00 C ATOM 700 CG ASN A 47 -12.367 -10.042 1.510 1.00 0.00 C ATOM 701 OD1 ASN A 47 -11.287 -10.620 1.637 1.00 0.00 O ATOM 702 ND2 ASN A 47 -13.004 -9.960 0.347 1.00 0.00 N ATOM 0 H ASN A 47 -12.515 -7.813 0.831 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.354 -7.352 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.855 -9.971 3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -14.117 -9.366 2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.600 -10.386 -0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.897 -9.471 0.288 1.00 0.00 H new ATOM 709 N ARG A 48 -10.167 -8.072 3.396 1.00 0.00 N ATOM 710 CA ARG A 48 -8.975 -8.090 4.236 1.00 0.00 C ATOM 711 C ARG A 48 -8.306 -6.719 4.258 1.00 0.00 C ATOM 712 O ARG A 48 -8.092 -6.136 5.321 1.00 0.00 O ATOM 713 CB ARG A 48 -7.987 -9.144 3.734 1.00 0.00 C ATOM 714 CG ARG A 48 -8.424 -10.572 4.019 1.00 0.00 C ATOM 715 CD ARG A 48 -7.390 -11.577 3.536 1.00 0.00 C ATOM 716 NE ARG A 48 -7.387 -11.704 2.081 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.544 -12.484 1.413 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.642 -13.203 2.066 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.604 -12.546 0.089 1.00 0.00 N ATOM 0 H ARG A 48 -9.980 -8.158 2.397 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.280 -8.343 5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.853 -9.022 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.016 -8.970 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.583 -10.698 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.378 -10.766 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.401 -11.270 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.593 -12.550 3.984 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.069 -11.164 1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.594 -13.158 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.996 -13.801 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.298 -11.995 -0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.957 -13.145 -0.423 1.00 0.00 H new ATOM 733 N THR A 49 -7.975 -6.208 3.075 1.00 0.00 N ATOM 734 CA THR A 49 -7.328 -4.908 2.958 1.00 0.00 C ATOM 735 C THR A 49 -8.282 -3.783 3.343 1.00 0.00 C ATOM 736 O THR A 49 -9.461 -3.807 2.989 1.00 0.00 O ATOM 737 CB THR A 49 -6.814 -4.663 1.527 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.897 -5.697 1.152 1.00 0.00 O ATOM 739 CG2 THR A 49 -6.130 -3.308 1.422 1.00 0.00 C ATOM 0 H THR A 49 -8.145 -6.676 2.185 1.00 0.00 H new ATOM 0 HA THR A 49 -6.481 -4.913 3.644 1.00 0.00 H new ATOM 0 HB THR A 49 -7.669 -4.674 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.576 -5.535 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.775 -3.157 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.839 -2.521 1.679 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.285 -3.273 2.109 1.00 0.00 H new ATOM 747 N ARG A 50 -7.765 -2.797 4.069 1.00 0.00 N ATOM 748 CA ARG A 50 -8.571 -1.663 4.503 1.00 0.00 C ATOM 749 C ARG A 50 -7.768 -0.367 4.437 1.00 0.00 C ATOM 750 O ARG A 50 -6.853 -0.152 5.233 1.00 0.00 O ATOM 751 CB ARG A 50 -9.082 -1.887 5.927 1.00 0.00 C ATOM 752 CG ARG A 50 -9.757 -0.667 6.531 1.00 0.00 C ATOM 753 CD ARG A 50 -11.201 -0.544 6.071 1.00 0.00 C ATOM 754 NE ARG A 50 -11.962 0.388 6.899 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.287 0.371 6.997 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.993 -0.526 6.324 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.907 1.253 7.771 1.00 0.00 N ATOM 0 H ARG A 50 -6.791 -2.761 4.369 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.423 -1.577 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.788 -2.718 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.246 -2.181 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.725 -0.733 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.207 0.231 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.224 -0.209 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.675 -1.525 6.100 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.448 1.090 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.519 -1.206 5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.010 -0.537 6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.366 1.944 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.924 1.240 7.846 1.00 0.00 H new ATOM 771 N ILE A 51 -8.115 0.491 3.484 1.00 0.00 N ATOM 772 CA ILE A 51 -7.426 1.764 3.315 1.00 0.00 C ATOM 773 C ILE A 51 -8.230 2.908 3.924 1.00 0.00 C ATOM 774 O ILE A 51 -9.235 3.345 3.362 1.00 0.00 O ATOM 775 CB ILE A 51 -7.165 2.070 1.828 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.369 0.933 1.184 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.425 3.391 1.682 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.385 0.967 -0.329 1.00 0.00 C ATOM 0 H ILE A 51 -8.869 0.328 2.817 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.471 1.677 3.833 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.123 2.154 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.336 0.982 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.774 -0.021 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.248 3.594 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.026 4.194 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.471 3.333 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.801 0.133 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.413 0.888 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.953 1.905 -0.676 1.00 0.00 H new ATOM 790 N THR A 52 -7.779 3.392 5.078 1.00 0.00 N ATOM 791 CA THR A 52 -8.454 4.486 5.764 1.00 0.00 C ATOM 792 C THR A 52 -7.974 5.838 5.248 1.00 0.00 C ATOM 793 O THR A 52 -8.173 6.866 5.895 1.00 0.00 O ATOM 794 CB THR A 52 -8.228 4.420 7.286 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.829 4.315 7.569 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.964 3.234 7.891 1.00 0.00 C ATOM 0 H THR A 52 -6.949 3.043 5.557 1.00 0.00 H new ATOM 0 HA THR A 52 -9.519 4.379 5.558 1.00 0.00 H new ATOM 0 HB THR A 52 -8.620 5.335 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.441 3.590 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.790 3.208 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.032 3.332 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.598 2.311 7.442 1.00 0.00 H new ATOM 804 N GLY A 53 -7.340 5.830 4.080 1.00 0.00 N ATOM 805 CA GLY A 53 -6.841 7.062 3.497 1.00 0.00 C ATOM 806 C GLY A 53 -5.334 7.185 3.602 1.00 0.00 C ATOM 807 O GLY A 53 -4.636 7.215 2.589 1.00 0.00 O ATOM 0 H GLY A 53 -7.163 4.992 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.134 7.109 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.307 7.911 3.996 1.00 0.00 H new ATOM 811 N GLU A 54 -4.831 7.257 4.830 1.00 0.00 N ATOM 812 CA GLU A 54 -3.397 7.379 5.062 1.00 0.00 C ATOM 813 C GLU A 54 -2.868 6.182 5.847 1.00 0.00 C ATOM 814 O GLU A 54 -1.702 6.150 6.238 1.00 0.00 O ATOM 815 CB GLU A 54 -3.088 8.674 5.816 1.00 0.00 C ATOM 816 CG GLU A 54 -3.132 8.524 7.328 1.00 0.00 C ATOM 817 CD GLU A 54 -3.375 9.841 8.039 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.531 10.313 8.036 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.408 10.400 8.598 1.00 0.00 O ATOM 0 H GLU A 54 -5.395 7.233 5.679 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.900 7.404 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.100 9.028 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.803 9.439 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.920 7.820 7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.191 8.097 7.674 1.00 0.00 H new ATOM 826 N GLU A 55 -3.736 5.201 6.074 1.00 0.00 N ATOM 827 CA GLU A 55 -3.357 4.003 6.814 1.00 0.00 C ATOM 828 C GLU A 55 -3.963 2.756 6.176 1.00 0.00 C ATOM 829 O GLU A 55 -5.180 2.649 6.028 1.00 0.00 O ATOM 830 CB GLU A 55 -3.807 4.113 8.272 1.00 0.00 C ATOM 831 CG GLU A 55 -2.772 4.754 9.181 1.00 0.00 C ATOM 832 CD GLU A 55 -3.197 4.759 10.637 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.418 4.714 10.898 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.310 4.808 11.515 1.00 0.00 O ATOM 0 H GLU A 55 -4.705 5.212 5.756 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.271 3.916 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.728 4.695 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.041 3.117 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.827 4.219 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.593 5.779 8.855 1.00 0.00 H new ATOM 841 N VAL A 56 -3.104 1.813 5.801 1.00 0.00 N ATOM 842 CA VAL A 56 -3.552 0.573 5.180 1.00 0.00 C ATOM 843 C VAL A 56 -3.530 -0.580 6.177 1.00 0.00 C ATOM 844 O VAL A 56 -2.564 -0.752 6.920 1.00 0.00 O ATOM 845 CB VAL A 56 -2.679 0.205 3.966 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.065 -1.163 3.425 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.797 1.268 2.884 1.00 0.00 C ATOM 0 H VAL A 56 -2.093 1.885 5.917 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.575 0.739 4.844 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.639 0.161 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.437 -1.406 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.924 -1.914 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.111 -1.151 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.174 0.992 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.836 1.346 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.466 2.228 3.280 1.00 0.00 H new ATOM 857 N GLU A 57 -4.600 -1.368 6.186 1.00 0.00 N ATOM 858 CA GLU A 57 -4.703 -2.506 7.093 1.00 0.00 C ATOM 859 C GLU A 57 -5.244 -3.734 6.366 1.00 0.00 C ATOM 860 O GLU A 57 -6.378 -3.736 5.887 1.00 0.00 O ATOM 861 CB GLU A 57 -5.607 -2.162 8.278 1.00 0.00 C ATOM 862 CG GLU A 57 -5.705 -3.272 9.311 1.00 0.00 C ATOM 863 CD GLU A 57 -6.393 -2.823 10.586 1.00 0.00 C ATOM 864 OE1 GLU A 57 -5.745 -2.132 11.399 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.580 -3.164 10.770 1.00 0.00 O ATOM 0 H GLU A 57 -5.408 -1.240 5.576 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.703 -2.735 7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.231 -1.260 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.606 -1.933 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.252 -4.113 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.704 -3.631 9.550 1.00 0.00 H new ATOM 872 N VAL A 58 -4.424 -4.777 6.288 1.00 0.00 N ATOM 873 CA VAL A 58 -4.819 -6.012 5.621 1.00 0.00 C ATOM 874 C VAL A 58 -4.815 -7.187 6.592 1.00 0.00 C ATOM 875 O VAL A 58 -3.775 -7.541 7.148 1.00 0.00 O ATOM 876 CB VAL A 58 -3.886 -6.334 4.438 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.463 -7.459 3.594 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.648 -5.091 3.594 1.00 0.00 C ATOM 0 H VAL A 58 -3.482 -4.791 6.679 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.831 -5.859 5.245 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.926 -6.665 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.790 -7.672 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.577 -8.353 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.436 -7.160 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.987 -5.337 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.599 -4.727 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.187 -4.317 4.208 1.00 0.00 H new ATOM 888 N GLN A 59 -5.983 -7.787 6.791 1.00 0.00 N ATOM 889 CA GLN A 59 -6.114 -8.923 7.696 1.00 0.00 C ATOM 890 C GLN A 59 -5.655 -10.212 7.022 1.00 0.00 C ATOM 891 O GLN A 59 -5.902 -10.425 5.835 1.00 0.00 O ATOM 892 CB GLN A 59 -7.564 -9.066 8.162 1.00 0.00 C ATOM 893 CG GLN A 59 -8.058 -7.887 8.984 1.00 0.00 C ATOM 894 CD GLN A 59 -9.373 -8.172 9.682 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.592 -9.269 10.195 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.259 -7.182 9.704 1.00 0.00 N ATOM 0 H GLN A 59 -6.853 -7.506 6.338 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.477 -8.741 8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.207 -9.185 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.658 -9.976 8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.305 -7.627 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.177 -7.020 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.036 -6.288 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.162 -7.316 10.159 1.00 0.00 H new ATOM 905 N ASP A 60 -4.984 -11.067 7.786 1.00 0.00 N ATOM 906 CA ASP A 60 -4.491 -12.335 7.263 1.00 0.00 C ATOM 907 C ASP A 60 -3.619 -12.112 6.031 1.00 0.00 C ATOM 908 O ASP A 60 -3.754 -12.812 5.028 1.00 0.00 O ATOM 909 CB ASP A 60 -5.660 -13.258 6.915 1.00 0.00 C ATOM 910 CG ASP A 60 -5.312 -14.723 7.086 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.158 -15.166 8.244 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.194 -15.428 6.062 1.00 0.00 O ATOM 0 H ASP A 60 -4.769 -10.905 8.770 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.884 -12.807 8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.513 -13.014 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.967 -13.078 5.885 1.00 0.00 H new ATOM 917 N SER A 61 -2.724 -11.133 6.115 1.00 0.00 N ATOM 918 CA SER A 61 -1.833 -10.814 5.005 1.00 0.00 C ATOM 919 C SER A 61 -1.328 -12.087 4.332 1.00 0.00 C ATOM 920 O SER A 61 -1.403 -13.176 4.901 1.00 0.00 O ATOM 921 CB SER A 61 -0.649 -9.979 5.498 1.00 0.00 C ATOM 922 OG SER A 61 0.274 -10.778 6.217 1.00 0.00 O ATOM 0 H SER A 61 -2.596 -10.547 6.940 1.00 0.00 H new ATOM 0 HA SER A 61 -2.396 -10.235 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.148 -9.515 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.010 -9.172 6.135 1.00 0.00 H new ATOM 0 HG SER A 61 1.022 -10.222 6.520 1.00 0.00 H new ATOM 928 N VAL A 62 -0.812 -11.940 3.116 1.00 0.00 N ATOM 929 CA VAL A 62 -0.292 -13.076 2.364 1.00 0.00 C ATOM 930 C VAL A 62 0.923 -12.677 1.535 1.00 0.00 C ATOM 931 O VAL A 62 1.166 -11.499 1.271 1.00 0.00 O ATOM 932 CB VAL A 62 -1.364 -13.669 1.430 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.137 -14.772 2.137 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.305 -12.578 0.939 1.00 0.00 C ATOM 0 H VAL A 62 -0.743 -11.046 2.631 1.00 0.00 H new ATOM 0 HA VAL A 62 0.002 -13.830 3.094 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.866 -14.105 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.890 -15.179 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.450 -15.564 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.626 -14.364 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.056 -13.014 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.798 -12.111 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.736 -11.826 0.392 1.00 0.00 H new ATOM 944 N PRO A 63 1.707 -13.680 1.113 1.00 0.00 N ATOM 945 CA PRO A 63 2.911 -13.459 0.307 1.00 0.00 C ATOM 946 C PRO A 63 2.584 -12.990 -1.107 1.00 0.00 C ATOM 947 O PRO A 63 3.476 -12.821 -1.938 1.00 0.00 O ATOM 948 CB PRO A 63 3.574 -14.838 0.272 1.00 0.00 C ATOM 949 CG PRO A 63 2.456 -15.801 0.482 1.00 0.00 C ATOM 950 CD PRO A 63 1.478 -15.108 1.391 1.00 0.00 C ATOM 0 HA PRO A 63 3.544 -12.677 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.074 -15.013 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.330 -14.934 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.987 -16.067 -0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.817 -16.727 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.451 -15.400 1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.663 -15.348 2.438 1.00 0.00 H new ATOM 958 N ALA A 64 1.298 -12.780 -1.373 1.00 0.00 N ATOM 959 CA ALA A 64 0.854 -12.328 -2.686 1.00 0.00 C ATOM 960 C ALA A 64 0.479 -10.850 -2.659 1.00 0.00 C ATOM 961 O ALA A 64 0.509 -10.174 -3.688 1.00 0.00 O ATOM 962 CB ALA A 64 -0.324 -13.165 -3.161 1.00 0.00 C ATOM 0 H ALA A 64 0.546 -12.916 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 64 1.680 -12.454 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.645 -12.817 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.024 -14.211 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.148 -13.068 -2.454 1.00 0.00 H new ATOM 968 N ASP A 65 0.126 -10.355 -1.478 1.00 0.00 N ATOM 969 CA ASP A 65 -0.254 -8.956 -1.318 1.00 0.00 C ATOM 970 C ASP A 65 0.976 -8.078 -1.114 1.00 0.00 C ATOM 971 O ASP A 65 0.944 -6.876 -1.378 1.00 0.00 O ATOM 972 CB ASP A 65 -1.210 -8.798 -0.135 1.00 0.00 C ATOM 973 CG ASP A 65 -2.499 -9.574 -0.324 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.965 -9.677 -1.478 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.042 -10.077 0.682 1.00 0.00 O ATOM 0 H ASP A 65 0.095 -10.902 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.759 -8.636 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.716 -9.137 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.442 -7.742 0.002 1.00 0.00 H new ATOM 980 N SER A 66 2.060 -8.687 -0.643 1.00 0.00 N ATOM 981 CA SER A 66 3.300 -7.960 -0.399 1.00 0.00 C ATOM 982 C SER A 66 3.687 -7.123 -1.615 1.00 0.00 C ATOM 983 O SER A 66 3.024 -7.168 -2.650 1.00 0.00 O ATOM 984 CB SER A 66 4.428 -8.934 -0.056 1.00 0.00 C ATOM 985 OG SER A 66 4.709 -9.794 -1.146 1.00 0.00 O ATOM 0 H SER A 66 2.104 -9.682 -0.423 1.00 0.00 H new ATOM 0 HA SER A 66 3.139 -7.290 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.325 -8.376 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.149 -9.526 0.816 1.00 0.00 H new ATOM 0 HG SER A 66 5.435 -10.406 -0.901 1.00 0.00 H new ATOM 991 N GLY A 67 4.768 -6.360 -1.481 1.00 0.00 N ATOM 992 CA GLY A 67 5.226 -5.523 -2.575 1.00 0.00 C ATOM 993 C GLY A 67 5.780 -4.196 -2.097 1.00 0.00 C ATOM 994 O GLY A 67 6.242 -4.080 -0.961 1.00 0.00 O ATOM 0 H GLY A 67 5.335 -6.307 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.995 -6.053 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.398 -5.342 -3.261 1.00 0.00 H new ATOM 998 N LEU A 68 5.737 -3.192 -2.966 1.00 0.00 N ATOM 999 CA LEU A 68 6.241 -1.865 -2.627 1.00 0.00 C ATOM 1000 C LEU A 68 5.118 -0.833 -2.654 1.00 0.00 C ATOM 1001 O LEU A 68 4.785 -0.291 -3.708 1.00 0.00 O ATOM 1002 CB LEU A 68 7.349 -1.456 -3.599 1.00 0.00 C ATOM 1003 CG LEU A 68 8.017 -0.107 -3.326 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.819 -0.160 -2.035 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.907 0.293 -4.493 1.00 0.00 C ATOM 0 H LEU A 68 5.359 -3.271 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 68 6.648 -1.905 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.118 -2.228 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.932 -1.435 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 68 7.238 0.647 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.287 0.808 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.156 -0.400 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.590 -0.926 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.374 1.255 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.680 -0.462 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.306 0.373 -5.399 1.00 0.00 H new ATOM 1017 N TYR A 69 4.540 -0.565 -1.488 1.00 0.00 N ATOM 1018 CA TYR A 69 3.454 0.402 -1.378 1.00 0.00 C ATOM 1019 C TYR A 69 3.987 1.830 -1.457 1.00 0.00 C ATOM 1020 O TYR A 69 5.030 2.147 -0.887 1.00 0.00 O ATOM 1021 CB TYR A 69 2.695 0.200 -0.066 1.00 0.00 C ATOM 1022 CG TYR A 69 2.002 -1.140 0.033 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.726 -2.305 0.249 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.621 -1.240 -0.089 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.096 -3.531 0.339 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.017 -2.461 0.002 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.725 -3.604 0.215 1.00 0.00 C ATOM 1028 OH TYR A 69 0.093 -4.824 0.305 1.00 0.00 O ATOM 0 H TYR A 69 4.805 -1.004 -0.606 1.00 0.00 H new ATOM 0 HA TYR A 69 2.772 0.242 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.392 0.302 0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.953 0.992 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.800 -2.252 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.037 -0.347 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.674 -4.428 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.091 -2.521 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 69 0.490 -5.446 -0.340 1.00 0.00 H new ATOM 1038 N ALA A 70 3.260 2.686 -2.167 1.00 0.00 N ATOM 1039 CA ALA A 70 3.656 4.081 -2.318 1.00 0.00 C ATOM 1040 C ALA A 70 2.458 5.012 -2.164 1.00 0.00 C ATOM 1041 O ALA A 70 1.516 4.966 -2.957 1.00 0.00 O ATOM 1042 CB ALA A 70 4.323 4.296 -3.669 1.00 0.00 C ATOM 0 H ALA A 70 2.394 2.438 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 70 4.370 4.318 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.614 5.342 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.208 3.665 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.625 4.036 -4.465 1.00 0.00 H new ATOM 1048 N CYS A 71 2.499 5.856 -1.139 1.00 0.00 N ATOM 1049 CA CYS A 71 1.416 6.797 -0.879 1.00 0.00 C ATOM 1050 C CYS A 71 1.768 8.188 -1.400 1.00 0.00 C ATOM 1051 O CYS A 71 2.817 8.740 -1.068 1.00 0.00 O ATOM 1052 CB CYS A 71 1.118 6.863 0.620 1.00 0.00 C ATOM 1053 SG CYS A 71 2.206 7.993 1.546 1.00 0.00 S ATOM 0 H CYS A 71 3.271 5.908 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 71 0.528 6.445 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.083 7.176 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.208 5.862 1.042 1.00 0.00 H new ATOM 1058 N VAL A 72 0.883 8.749 -2.218 1.00 0.00 N ATOM 1059 CA VAL A 72 1.098 10.075 -2.784 1.00 0.00 C ATOM 1060 C VAL A 72 0.021 11.050 -2.324 1.00 0.00 C ATOM 1061 O VAL A 72 -1.165 10.856 -2.594 1.00 0.00 O ATOM 1062 CB VAL A 72 1.113 10.032 -4.324 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.572 11.367 -4.891 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.001 8.900 -4.817 1.00 0.00 C ATOM 0 H VAL A 72 0.010 8.305 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 72 2.070 10.418 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 72 0.098 9.845 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.576 11.318 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.891 12.154 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.578 11.587 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.000 8.885 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.019 9.053 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.622 7.950 -4.440 1.00 0.00 H new ATOM 1074 N THR A 73 0.441 12.102 -1.627 1.00 0.00 N ATOM 1075 CA THR A 73 -0.488 13.109 -1.129 1.00 0.00 C ATOM 1076 C THR A 73 -0.416 14.383 -1.961 1.00 0.00 C ATOM 1077 O THR A 73 0.669 14.884 -2.256 1.00 0.00 O ATOM 1078 CB THR A 73 -0.202 13.455 0.345 1.00 0.00 C ATOM 1079 OG1 THR A 73 0.994 14.236 0.442 1.00 0.00 O ATOM 1080 CG2 THR A 73 -0.058 12.191 1.180 1.00 0.00 C ATOM 0 H THR A 73 1.418 12.278 -1.395 1.00 0.00 H new ATOM 0 HA THR A 73 -1.488 12.683 -1.208 1.00 0.00 H new ATOM 0 HB THR A 73 -1.044 14.031 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.344 14.186 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.144 12.461 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.981 11.614 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.767 11.592 0.794 1.00 0.00 H new ATOM 1088 N SER A 74 -1.580 14.905 -2.338 1.00 0.00 N ATOM 1089 CA SER A 74 -1.649 16.121 -3.140 1.00 0.00 C ATOM 1090 C SER A 74 -1.627 17.360 -2.251 1.00 0.00 C ATOM 1091 O SER A 74 -2.563 17.610 -1.491 1.00 0.00 O ATOM 1092 CB SER A 74 -2.914 16.118 -4.000 1.00 0.00 C ATOM 1093 OG SER A 74 -2.823 17.072 -5.044 1.00 0.00 O ATOM 0 H SER A 74 -2.488 14.504 -2.101 1.00 0.00 H new ATOM 0 HA SER A 74 -0.775 16.148 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.068 15.125 -4.423 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.781 16.337 -3.377 1.00 0.00 H new ATOM 0 HG SER A 74 -3.643 17.049 -5.580 1.00 0.00 H new ATOM 1099 N SER A 75 -0.551 18.134 -2.351 1.00 0.00 N ATOM 1100 CA SER A 75 -0.403 19.346 -1.554 1.00 0.00 C ATOM 1101 C SER A 75 -0.072 20.543 -2.440 1.00 0.00 C ATOM 1102 O SER A 75 0.526 20.410 -3.508 1.00 0.00 O ATOM 1103 CB SER A 75 0.690 19.159 -0.501 1.00 0.00 C ATOM 1104 OG SER A 75 1.979 19.300 -1.073 1.00 0.00 O ATOM 0 H SER A 75 0.232 17.943 -2.977 1.00 0.00 H new ATOM 0 HA SER A 75 -1.351 19.539 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.560 19.891 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.596 18.173 -0.046 1.00 0.00 H new ATOM 0 HG SER A 75 2.243 18.456 -1.496 1.00 0.00 H new ATOM 1110 N PRO A 76 -0.470 21.741 -1.988 1.00 0.00 N ATOM 1111 CA PRO A 76 -0.227 22.985 -2.724 1.00 0.00 C ATOM 1112 C PRO A 76 1.248 23.371 -2.738 1.00 0.00 C ATOM 1113 O PRO A 76 1.633 24.369 -3.349 1.00 0.00 O ATOM 1114 CB PRO A 76 -1.043 24.022 -1.947 1.00 0.00 C ATOM 1115 CG PRO A 76 -1.144 23.469 -0.568 1.00 0.00 C ATOM 1116 CD PRO A 76 -1.188 21.974 -0.724 1.00 0.00 C ATOM 0 HA PRO A 76 -0.509 22.899 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.551 24.995 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.029 24.163 -2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.291 23.773 0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.039 23.835 -0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.704 21.468 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.213 21.605 -0.770 1.00 0.00 H new ATOM 1124 N SER A 77 2.070 22.575 -2.062 1.00 0.00 N ATOM 1125 CA SER A 77 3.504 22.835 -1.995 1.00 0.00 C ATOM 1126 C SER A 77 4.286 21.768 -2.753 1.00 0.00 C ATOM 1127 O SER A 77 5.488 21.905 -2.977 1.00 0.00 O ATOM 1128 CB SER A 77 3.966 22.884 -0.537 1.00 0.00 C ATOM 1129 OG SER A 77 5.264 23.444 -0.433 1.00 0.00 O ATOM 0 H SER A 77 1.768 21.744 -1.553 1.00 0.00 H new ATOM 0 HA SER A 77 3.696 23.801 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.263 23.474 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.966 21.878 -0.118 1.00 0.00 H new ATOM 0 HG SER A 77 5.795 23.185 -1.215 1.00 0.00 H new ATOM 1135 N GLY A 78 3.594 20.703 -3.146 1.00 0.00 N ATOM 1136 CA GLY A 78 4.239 19.626 -3.875 1.00 0.00 C ATOM 1137 C GLY A 78 3.773 18.257 -3.420 1.00 0.00 C ATOM 1138 O GLY A 78 3.792 17.953 -2.228 1.00 0.00 O ATOM 0 H GLY A 78 2.598 20.567 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.036 19.740 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.319 19.700 -3.746 1.00 0.00 H new ATOM 1142 N SER A 79 3.353 17.430 -4.372 1.00 0.00 N ATOM 1143 CA SER A 79 2.875 16.088 -4.062 1.00 0.00 C ATOM 1144 C SER A 79 4.015 15.208 -3.558 1.00 0.00 C ATOM 1145 O SER A 79 4.958 14.915 -4.292 1.00 0.00 O ATOM 1146 CB SER A 79 2.234 15.454 -5.298 1.00 0.00 C ATOM 1147 OG SER A 79 2.994 15.727 -6.463 1.00 0.00 O ATOM 0 H SER A 79 3.334 17.666 -5.364 1.00 0.00 H new ATOM 0 HA SER A 79 2.126 16.169 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.153 14.376 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.221 15.836 -5.423 1.00 0.00 H new ATOM 0 HG SER A 79 3.947 15.603 -6.269 1.00 0.00 H new ATOM 1153 N ASP A 80 3.920 14.791 -2.301 1.00 0.00 N ATOM 1154 CA ASP A 80 4.941 13.944 -1.697 1.00 0.00 C ATOM 1155 C ASP A 80 4.697 12.475 -2.030 1.00 0.00 C ATOM 1156 O ASP A 80 3.683 12.125 -2.636 1.00 0.00 O ATOM 1157 CB ASP A 80 4.965 14.138 -0.180 1.00 0.00 C ATOM 1158 CG ASP A 80 6.352 13.960 0.405 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.314 14.509 -0.172 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.476 13.272 1.440 1.00 0.00 O ATOM 0 H ASP A 80 3.146 15.026 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 80 5.908 14.236 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.597 15.135 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.284 13.426 0.285 1.00 0.00 H new ATOM 1165 N THR A 81 5.632 11.619 -1.632 1.00 0.00 N ATOM 1166 CA THR A 81 5.519 10.189 -1.890 1.00 0.00 C ATOM 1167 C THR A 81 6.258 9.379 -0.831 1.00 0.00 C ATOM 1168 O THR A 81 7.426 9.638 -0.539 1.00 0.00 O ATOM 1169 CB THR A 81 6.075 9.823 -3.279 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.618 10.769 -4.254 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.642 8.422 -3.684 1.00 0.00 C ATOM 0 H THR A 81 6.477 11.891 -1.129 1.00 0.00 H new ATOM 0 HA THR A 81 4.457 9.945 -1.855 1.00 0.00 H new ATOM 0 HB THR A 81 7.164 9.849 -3.229 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.977 10.531 -5.134 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.047 8.186 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.015 7.701 -2.956 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.554 8.373 -3.718 1.00 0.00 H new ATOM 1179 N THR A 82 5.571 8.396 -0.257 1.00 0.00 N ATOM 1180 CA THR A 82 6.162 7.548 0.770 1.00 0.00 C ATOM 1181 C THR A 82 6.096 6.078 0.374 1.00 0.00 C ATOM 1182 O THR A 82 5.013 5.529 0.166 1.00 0.00 O ATOM 1183 CB THR A 82 5.457 7.735 2.127 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.040 9.097 2.279 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.380 7.351 3.274 1.00 0.00 C ATOM 0 H THR A 82 4.604 8.168 -0.487 1.00 0.00 H new ATOM 0 HA THR A 82 7.205 7.849 0.867 1.00 0.00 H new ATOM 0 HB THR A 82 4.584 7.083 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.078 9.166 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.860 7.491 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.672 6.306 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.270 7.980 3.251 1.00 0.00 H new ATOM 1193 N TYR A 83 7.259 5.444 0.273 1.00 0.00 N ATOM 1194 CA TYR A 83 7.333 4.036 -0.099 1.00 0.00 C ATOM 1195 C TYR A 83 7.335 3.145 1.139 1.00 0.00 C ATOM 1196 O TYR A 83 7.697 3.581 2.232 1.00 0.00 O ATOM 1197 CB TYR A 83 8.588 3.773 -0.933 1.00 0.00 C ATOM 1198 CG TYR A 83 8.604 4.511 -2.252 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.057 5.822 -2.332 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.167 3.897 -3.420 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.073 6.501 -3.535 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.181 4.568 -4.628 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.634 5.869 -4.680 1.00 0.00 C ATOM 1204 OH TYR A 83 8.650 6.541 -5.881 1.00 0.00 O ATOM 0 H TYR A 83 8.164 5.883 0.444 1.00 0.00 H new ATOM 0 HA TYR A 83 6.452 3.797 -0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.466 4.061 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.669 2.703 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.403 6.319 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.810 2.878 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.427 7.520 -3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.839 4.076 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 83 8.310 5.954 -6.589 1.00 0.00 H new ATOM 1214 N PHE A 84 6.927 1.893 0.958 1.00 0.00 N ATOM 1215 CA PHE A 84 6.881 0.938 2.060 1.00 0.00 C ATOM 1216 C PHE A 84 7.108 -0.485 1.556 1.00 0.00 C ATOM 1217 O PHE A 84 6.229 -1.082 0.935 1.00 0.00 O ATOM 1218 CB PHE A 84 5.536 1.026 2.783 1.00 0.00 C ATOM 1219 CG PHE A 84 5.097 2.435 3.063 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.397 3.159 2.112 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.385 3.035 4.279 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.994 4.456 2.367 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.983 4.332 4.540 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.285 5.043 3.583 1.00 0.00 C ATOM 0 H PHE A 84 6.624 1.516 0.060 1.00 0.00 H new ATOM 0 HA PHE A 84 7.679 1.189 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.775 0.530 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.602 0.481 3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.164 2.705 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.929 2.483 5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.452 5.011 1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.214 4.789 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.968 6.055 3.785 1.00 0.00 H new ATOM 1234 N SER A 85 8.294 -1.020 1.828 1.00 0.00 N ATOM 1235 CA SER A 85 8.639 -2.370 1.399 1.00 0.00 C ATOM 1236 C SER A 85 8.029 -3.410 2.334 1.00 0.00 C ATOM 1237 O SER A 85 8.464 -3.568 3.475 1.00 0.00 O ATOM 1238 CB SER A 85 10.159 -2.540 1.352 1.00 0.00 C ATOM 1239 OG SER A 85 10.530 -3.883 1.609 1.00 0.00 O ATOM 0 H SER A 85 9.032 -0.539 2.343 1.00 0.00 H new ATOM 0 HA SER A 85 8.232 -2.522 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.532 -2.237 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.624 -1.884 2.087 1.00 0.00 H new ATOM 0 HG SER A 85 11.506 -3.966 1.572 1.00 0.00 H new ATOM 1245 N VAL A 86 7.017 -4.118 1.842 1.00 0.00 N ATOM 1246 CA VAL A 86 6.346 -5.143 2.632 1.00 0.00 C ATOM 1247 C VAL A 86 6.738 -6.541 2.164 1.00 0.00 C ATOM 1248 O VAL A 86 6.893 -6.785 0.968 1.00 0.00 O ATOM 1249 CB VAL A 86 4.814 -4.999 2.555 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.132 -6.143 3.289 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.377 -3.656 3.119 1.00 0.00 C ATOM 0 H VAL A 86 6.644 -4.000 0.900 1.00 0.00 H new ATOM 0 HA VAL A 86 6.665 -5.005 3.665 1.00 0.00 H new ATOM 0 HB VAL A 86 4.514 -5.042 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.051 -6.024 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.421 -7.091 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.435 -6.136 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.292 -3.571 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.688 -3.580 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.837 -2.853 2.544 1.00 0.00 H new ATOM 1261 N ASN A 87 6.895 -7.455 3.116 1.00 0.00 N ATOM 1262 CA ASN A 87 7.269 -8.829 2.802 1.00 0.00 C ATOM 1263 C ASN A 87 6.507 -9.815 3.682 1.00 0.00 C ATOM 1264 O ASN A 87 6.807 -9.967 4.866 1.00 0.00 O ATOM 1265 CB ASN A 87 8.775 -9.024 2.984 1.00 0.00 C ATOM 1266 CG ASN A 87 9.335 -10.094 2.066 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.195 -10.016 0.846 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.972 -11.101 2.652 1.00 0.00 N ATOM 0 H ASN A 87 6.769 -7.269 4.111 1.00 0.00 H new ATOM 0 HA ASN A 87 7.008 -9.021 1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.286 -8.081 2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.981 -9.294 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.369 -11.851 2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.064 -11.124 3.668 1.00 0.00 H new ATOM 1275 N VAL A 88 5.519 -10.483 3.095 1.00 0.00 N ATOM 1276 CA VAL A 88 4.715 -11.456 3.824 1.00 0.00 C ATOM 1277 C VAL A 88 5.176 -12.880 3.532 1.00 0.00 C ATOM 1278 O VAL A 88 5.087 -13.351 2.398 1.00 0.00 O ATOM 1279 CB VAL A 88 3.222 -11.328 3.470 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.386 -12.257 4.338 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.761 -9.887 3.620 1.00 0.00 C ATOM 0 H VAL A 88 5.256 -10.368 2.116 1.00 0.00 H new ATOM 0 HA VAL A 88 4.848 -11.245 4.885 1.00 0.00 H new ATOM 0 HB VAL A 88 3.087 -11.622 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.334 -12.153 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.701 -13.288 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.524 -11.997 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.704 -9.815 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.910 -9.563 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.339 -9.249 2.952 1.00 0.00 H new ATOM 1291 N SER A 89 5.668 -13.561 4.562 1.00 0.00 N ATOM 1292 CA SER A 89 6.145 -14.930 4.415 1.00 0.00 C ATOM 1293 C SER A 89 6.196 -15.636 5.767 1.00 0.00 C ATOM 1294 O SER A 89 6.586 -15.045 6.774 1.00 0.00 O ATOM 1295 CB SER A 89 7.532 -14.943 3.769 1.00 0.00 C ATOM 1296 OG SER A 89 7.840 -16.223 3.246 1.00 0.00 O ATOM 0 H SER A 89 5.746 -13.186 5.507 1.00 0.00 H new ATOM 0 HA SER A 89 5.446 -15.464 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.572 -14.202 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.282 -14.658 4.506 1.00 0.00 H new ATOM 0 HG SER A 89 8.731 -16.204 2.837 1.00 0.00 H new ATOM 1302 N ASP A 90 5.798 -16.904 5.780 1.00 0.00 N ATOM 1303 CA ASP A 90 5.798 -17.692 7.007 1.00 0.00 C ATOM 1304 C ASP A 90 7.188 -17.721 7.634 1.00 0.00 C ATOM 1305 O ASP A 90 7.331 -17.906 8.842 1.00 0.00 O ATOM 1306 CB ASP A 90 5.324 -19.118 6.722 1.00 0.00 C ATOM 1307 CG ASP A 90 5.906 -20.126 7.693 1.00 0.00 C ATOM 1308 OD1 ASP A 90 5.299 -20.337 8.764 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.969 -20.704 7.383 1.00 0.00 O ATOM 0 H ASP A 90 5.472 -17.407 4.955 1.00 0.00 H new ATOM 0 HA ASP A 90 5.111 -17.223 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.236 -19.153 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.603 -19.394 5.705 1.00 0.00 H new ATOM 1314 N ALA A 91 8.210 -17.538 6.805 1.00 0.00 N ATOM 1315 CA ALA A 91 9.589 -17.542 7.278 1.00 0.00 C ATOM 1316 C ALA A 91 10.039 -16.139 7.670 1.00 0.00 C ATOM 1317 O ALA A 91 10.155 -15.254 6.822 1.00 0.00 O ATOM 1318 CB ALA A 91 10.511 -18.116 6.213 1.00 0.00 C ATOM 0 H ALA A 91 8.109 -17.385 5.802 1.00 0.00 H new ATOM 0 HA ALA A 91 9.641 -18.173 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.537 -18.113 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.211 -19.139 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.447 -17.509 5.310 1.00 0.00 H new ATOM 1324 N LEU A 92 10.290 -15.942 8.960 1.00 0.00 N ATOM 1325 CA LEU A 92 10.727 -14.645 9.464 1.00 0.00 C ATOM 1326 C LEU A 92 12.194 -14.688 9.877 1.00 0.00 C ATOM 1327 O LEU A 92 12.732 -15.733 10.243 1.00 0.00 O ATOM 1328 CB LEU A 92 9.863 -14.221 10.654 1.00 0.00 C ATOM 1329 CG LEU A 92 8.428 -13.804 10.327 1.00 0.00 C ATOM 1330 CD1 LEU A 92 7.569 -15.026 10.042 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.837 -12.988 11.466 1.00 0.00 C ATOM 0 H LEU A 92 10.198 -16.663 9.675 1.00 0.00 H new ATOM 0 HA LEU A 92 10.615 -13.915 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.827 -15.047 11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.356 -13.389 11.157 1.00 0.00 H new ATOM 0 HG LEU A 92 8.446 -13.181 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.552 -14.710 9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.981 -15.570 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.558 -15.675 10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.816 -12.700 11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.832 -13.586 12.378 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.438 -12.092 11.622 1.00 0.00 H new ATOM 1343 N PRO A 93 12.860 -13.524 9.820 1.00 0.00 N ATOM 1344 CA PRO A 93 14.274 -13.402 10.187 1.00 0.00 C ATOM 1345 C PRO A 93 14.500 -13.570 11.685 1.00 0.00 C ATOM 1346 O PRO A 93 15.631 -13.490 12.164 1.00 0.00 O ATOM 1347 CB PRO A 93 14.632 -11.980 9.748 1.00 0.00 C ATOM 1348 CG PRO A 93 13.340 -11.239 9.772 1.00 0.00 C ATOM 1349 CD PRO A 93 12.283 -12.239 9.393 1.00 0.00 C ATOM 0 HA PRO A 93 14.885 -14.174 9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 93 15.360 -11.529 10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.074 -11.973 8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.147 -10.823 10.761 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.356 -10.404 9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.338 -12.036 9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.082 -12.225 8.322 1.00 0.00 H new ATOM 1357 N SER A 94 13.418 -13.804 12.420 1.00 0.00 N ATOM 1358 CA SER A 94 13.499 -13.981 13.866 1.00 0.00 C ATOM 1359 C SER A 94 14.533 -15.042 14.226 1.00 0.00 C ATOM 1360 O SER A 94 14.988 -15.799 13.369 1.00 0.00 O ATOM 1361 CB SER A 94 12.132 -14.371 14.430 1.00 0.00 C ATOM 1362 OG SER A 94 11.320 -13.229 14.638 1.00 0.00 O ATOM 0 H SER A 94 12.475 -13.876 12.039 1.00 0.00 H new ATOM 0 HA SER A 94 13.809 -13.034 14.307 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.634 -15.055 13.743 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.263 -14.904 15.372 1.00 0.00 H new ATOM 0 HG SER A 94 10.451 -13.506 14.997 1.00 0.00 H new ATOM 1368 N GLY A 95 14.901 -15.092 15.503 1.00 0.00 N ATOM 1369 CA GLY A 95 15.879 -16.064 15.956 1.00 0.00 C ATOM 1370 C GLY A 95 17.268 -15.781 15.420 1.00 0.00 C ATOM 1371 O GLY A 95 17.517 -14.753 14.790 1.00 0.00 O ATOM 0 H GLY A 95 14.539 -14.477 16.232 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.907 -16.066 17.046 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.568 -17.061 15.643 1.00 0.00 H new ATOM 1375 N PRO A 96 18.204 -16.709 15.672 1.00 0.00 N ATOM 1376 CA PRO A 96 19.592 -16.576 15.220 1.00 0.00 C ATOM 1377 C PRO A 96 19.724 -16.712 13.707 1.00 0.00 C ATOM 1378 O PRO A 96 20.531 -16.025 13.080 1.00 0.00 O ATOM 1379 CB PRO A 96 20.307 -17.731 15.925 1.00 0.00 C ATOM 1380 CG PRO A 96 19.240 -18.741 16.175 1.00 0.00 C ATOM 1381 CD PRO A 96 17.979 -17.959 16.417 1.00 0.00 C ATOM 0 HA PRO A 96 20.005 -15.595 15.454 1.00 0.00 H new ATOM 0 HB2 PRO A 96 21.103 -18.142 15.304 1.00 0.00 H new ATOM 0 HB3 PRO A 96 20.767 -17.402 16.857 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.127 -19.409 15.321 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.485 -19.363 17.036 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.100 -18.491 16.053 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.820 -17.771 17.479 1.00 0.00 H new ATOM 1389 N SER A 97 18.927 -17.603 13.125 1.00 0.00 N ATOM 1390 CA SER A 97 18.958 -17.831 11.685 1.00 0.00 C ATOM 1391 C SER A 97 20.390 -17.805 11.162 1.00 0.00 C ATOM 1392 O SER A 97 20.670 -17.220 10.115 1.00 0.00 O ATOM 1393 CB SER A 97 18.119 -16.776 10.962 1.00 0.00 C ATOM 1394 OG SER A 97 18.644 -15.476 11.170 1.00 0.00 O ATOM 0 H SER A 97 18.252 -18.179 13.629 1.00 0.00 H new ATOM 0 HA SER A 97 18.536 -18.817 11.489 1.00 0.00 H new ATOM 0 HB2 SER A 97 18.095 -16.995 9.895 1.00 0.00 H new ATOM 0 HB3 SER A 97 17.090 -16.818 11.319 1.00 0.00 H new ATOM 0 HG SER A 97 18.091 -14.820 10.696 1.00 0.00 H new ATOM 1400 N SER A 98 21.295 -18.442 11.898 1.00 0.00 N ATOM 1401 CA SER A 98 22.700 -18.489 11.511 1.00 0.00 C ATOM 1402 C SER A 98 22.898 -19.383 10.290 1.00 0.00 C ATOM 1403 O SER A 98 22.979 -20.604 10.407 1.00 0.00 O ATOM 1404 CB SER A 98 23.554 -18.999 12.673 1.00 0.00 C ATOM 1405 OG SER A 98 23.665 -18.021 13.692 1.00 0.00 O ATOM 0 H SER A 98 21.080 -18.933 12.766 1.00 0.00 H new ATOM 0 HA SER A 98 23.014 -17.477 11.254 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.111 -19.907 13.083 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.547 -19.264 12.310 1.00 0.00 H new ATOM 0 HG SER A 98 24.214 -18.372 14.424 1.00 0.00 H new ATOM 1411 N GLY A 99 22.974 -18.762 9.116 1.00 0.00 N ATOM 1412 CA GLY A 99 23.161 -19.514 7.890 1.00 0.00 C ATOM 1413 C GLY A 99 21.850 -19.994 7.298 1.00 0.00 C ATOM 1414 O GLY A 99 20.904 -19.219 7.157 1.00 0.00 O ATOM 0 H GLY A 99 22.909 -17.751 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 99 23.679 -18.891 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 99 23.802 -20.373 8.088 1.00 0.00 H new TER 1418 GLY A 99