USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 862 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 57 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 136 HIS : no HD1:sc= 0.566 K(o=0.57,f=-5.3!) USER MOD Set 2.1: A 50 TYR OH : rot -139:sc= 1.12 USER MOD Set 2.2: A 59 THR OG1 : rot 77:sc= 1.61 USER MOD Set 2.3: A 62 GLN : amide:sc= 1.48 K(o=4.2,f=-2.7!) USER MOD Single : A 25 MET CE :methyl 164:sc= -0.0628 (180deg=-0.456) USER MOD Single : A 27 ASN : amide:sc= -0.563 K(o=-0.56,f=-4.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.24) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc=-0.00143 (180deg=-0.0832) USER MOD Single : A 54 ASN : amide:sc= -1.56 X(o=-1.6,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 65 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.069) USER MOD Single : A 69 SER OG : rot 24:sc= 0.125 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-1) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 1.23 K(o=1.2,f=-0.85) USER MOD Single : A 96 SER OG : rot 150:sc= 0.581 USER MOD Single : A 98 TYR OH : rot -50:sc= -4.78! USER MOD Single : A 99 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.8) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 106 HIS : no HE2:sc= 0.931 K(o=0.93,f=-6.7!) USER MOD Single : A 108 GLN : amide:sc= 0.327 X(o=0.33,f=-0.098) USER MOD Single : A 113 SER OG : rot -124:sc= -0.124 USER MOD Single : A 123 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.3!) USER MOD Single : A 128 ASN : amide:sc= -0.0827 K(o=-0.083,f=-1.9!) USER MOD Single : A 130 THR OG1 : rot -7:sc= 1.81 USER MOD Single : A 134 HIS : no HD1:sc= -1.38 K(o=-1.4,f=0.35) USER MOD Single : A 135 HIS : no HD1:sc= -0.575 X(o=-0.57,f=-0.17) USER MOD Single : A 137 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.2!) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 25 26.679 -4.601 -1.132 1.00 0.00 N ATOM 2 CA MET A 25 26.361 -3.366 -0.370 1.00 0.00 C ATOM 3 C MET A 25 25.115 -2.676 -0.935 1.00 0.00 C ATOM 4 O MET A 25 25.170 -1.533 -1.394 1.00 0.00 O ATOM 5 CB MET A 25 27.563 -2.404 -0.373 1.00 0.00 C ATOM 6 CG MET A 25 28.036 -1.993 -1.762 1.00 0.00 C ATOM 7 SD MET A 25 29.403 -0.815 -1.725 1.00 0.00 S ATOM 8 CE MET A 25 30.686 -1.798 -0.952 1.00 0.00 C ATOM 0 HA MET A 25 26.149 -3.650 0.661 1.00 0.00 H new ATOM 0 HB2 MET A 25 27.297 -1.508 0.187 1.00 0.00 H new ATOM 0 HB3 MET A 25 28.392 -2.876 0.155 1.00 0.00 H new ATOM 0 HG2 MET A 25 28.345 -2.882 -2.312 1.00 0.00 H new ATOM 0 HG3 MET A 25 27.201 -1.554 -2.309 1.00 0.00 H new ATOM 0 HE1 MET A 25 31.654 -1.324 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 25 30.492 -1.873 0.118 1.00 0.00 H new ATOM 0 HE3 MET A 25 30.693 -2.796 -1.390 1.00 0.00 H new ATOM 20 N GLY A 26 23.988 -3.379 -0.900 1.00 0.00 N ATOM 21 CA GLY A 26 22.747 -2.821 -1.403 1.00 0.00 C ATOM 22 C GLY A 26 22.727 -2.731 -2.913 1.00 0.00 C ATOM 23 O GLY A 26 22.000 -1.923 -3.489 1.00 0.00 O ATOM 0 H GLY A 26 23.912 -4.327 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.912 -3.436 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.601 -1.827 -0.980 1.00 0.00 H new ATOM 27 N ASN A 27 23.523 -3.573 -3.557 1.00 0.00 N ATOM 28 CA ASN A 27 23.645 -3.556 -5.009 1.00 0.00 C ATOM 29 C ASN A 27 22.470 -4.272 -5.651 1.00 0.00 C ATOM 30 O ASN A 27 21.895 -3.789 -6.626 1.00 0.00 O ATOM 31 CB ASN A 27 24.952 -4.215 -5.449 1.00 0.00 C ATOM 32 CG ASN A 27 26.168 -3.525 -4.872 1.00 0.00 C ATOM 33 OD1 ASN A 27 26.613 -3.849 -3.771 1.00 0.00 O ATOM 34 ND2 ASN A 27 26.717 -2.573 -5.609 1.00 0.00 N ATOM 0 H ASN A 27 24.096 -4.279 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 27 23.648 -2.516 -5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 27 24.950 -5.261 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 27 25.013 -4.204 -6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 27 27.541 -2.077 -5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 27 26.316 -2.336 -6.516 1.00 0.00 H new ATOM 41 N LYS A 28 22.112 -5.423 -5.095 1.00 0.00 N ATOM 42 CA LYS A 28 20.998 -6.207 -5.617 1.00 0.00 C ATOM 43 C LYS A 28 19.680 -5.717 -5.030 1.00 0.00 C ATOM 44 O LYS A 28 18.604 -6.005 -5.555 1.00 0.00 O ATOM 45 CB LYS A 28 21.189 -7.696 -5.307 1.00 0.00 C ATOM 46 CG LYS A 28 21.226 -8.027 -3.822 1.00 0.00 C ATOM 47 CD LYS A 28 21.290 -9.528 -3.597 1.00 0.00 C ATOM 48 CE LYS A 28 21.301 -9.879 -2.118 1.00 0.00 C ATOM 49 NZ LYS A 28 21.257 -11.348 -1.898 1.00 0.00 N ATOM 0 H LYS A 28 22.575 -5.834 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 28 20.971 -6.078 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 28 20.380 -8.259 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 28 22.118 -8.034 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 28 22.091 -7.550 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.340 -7.620 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.435 -10.004 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.186 -9.929 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.198 -9.469 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.447 -9.412 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.266 -11.547 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.389 -11.736 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.086 -11.791 -2.344 1.00 0.00 H new ATOM 63 N GLU A 29 19.785 -4.951 -3.949 1.00 0.00 N ATOM 64 CA GLU A 29 18.620 -4.440 -3.238 1.00 0.00 C ATOM 65 C GLU A 29 17.732 -3.603 -4.155 1.00 0.00 C ATOM 66 O GLU A 29 16.512 -3.589 -4.004 1.00 0.00 O ATOM 67 CB GLU A 29 19.068 -3.591 -2.049 1.00 0.00 C ATOM 68 CG GLU A 29 17.926 -3.121 -1.166 1.00 0.00 C ATOM 69 CD GLU A 29 18.366 -2.092 -0.149 1.00 0.00 C ATOM 70 OE1 GLU A 29 19.321 -2.363 0.606 1.00 0.00 O ATOM 71 OE2 GLU A 29 17.753 -1.006 -0.100 1.00 0.00 O ATOM 0 H GLU A 29 20.677 -4.668 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 29 18.041 -5.294 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.768 -4.169 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.610 -2.721 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.139 -2.697 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.495 -3.978 -0.648 1.00 0.00 H new ATOM 78 N LYS A 30 18.349 -2.918 -5.110 1.00 0.00 N ATOM 79 CA LYS A 30 17.617 -2.027 -6.001 1.00 0.00 C ATOM 80 C LYS A 30 16.579 -2.789 -6.822 1.00 0.00 C ATOM 81 O LYS A 30 15.428 -2.369 -6.914 1.00 0.00 O ATOM 82 CB LYS A 30 18.574 -1.275 -6.923 1.00 0.00 C ATOM 83 CG LYS A 30 19.502 -0.325 -6.182 1.00 0.00 C ATOM 84 CD LYS A 30 20.255 0.582 -7.140 1.00 0.00 C ATOM 85 CE LYS A 30 21.169 -0.202 -8.065 1.00 0.00 C ATOM 86 NZ LYS A 30 21.882 0.691 -9.012 1.00 0.00 N ATOM 0 H LYS A 30 19.353 -2.962 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 30 17.090 -1.303 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.173 -1.996 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.995 -0.710 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.923 0.281 -5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.214 -0.899 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.542 1.154 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.845 1.301 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.895 -0.760 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.583 -0.932 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.497 0.123 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.189 1.205 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.460 1.372 -8.479 1.00 0.00 H new ATOM 100 N ALA A 31 16.978 -3.914 -7.395 1.00 0.00 N ATOM 101 CA ALA A 31 16.062 -4.727 -8.184 1.00 0.00 C ATOM 102 C ALA A 31 14.941 -5.284 -7.310 1.00 0.00 C ATOM 103 O ALA A 31 13.779 -5.325 -7.722 1.00 0.00 O ATOM 104 CB ALA A 31 16.811 -5.856 -8.873 1.00 0.00 C ATOM 0 H ALA A 31 17.926 -4.285 -7.330 1.00 0.00 H new ATOM 0 HA ALA A 31 15.614 -4.092 -8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.111 -6.453 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 31 17.572 -5.439 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.288 -6.487 -8.123 1.00 0.00 H new ATOM 110 N ASP A 32 15.295 -5.697 -6.098 1.00 0.00 N ATOM 111 CA ASP A 32 14.327 -6.268 -5.168 1.00 0.00 C ATOM 112 C ASP A 32 13.339 -5.221 -4.665 1.00 0.00 C ATOM 113 O ASP A 32 12.150 -5.502 -4.523 1.00 0.00 O ATOM 114 CB ASP A 32 15.029 -6.943 -3.987 1.00 0.00 C ATOM 115 CG ASP A 32 15.611 -8.294 -4.353 1.00 0.00 C ATOM 116 OD1 ASP A 32 14.831 -9.238 -4.587 1.00 0.00 O ATOM 117 OD2 ASP A 32 16.851 -8.421 -4.406 1.00 0.00 O ATOM 0 H ASP A 32 16.247 -5.647 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 32 13.765 -7.023 -5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.826 -6.294 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.319 -7.066 -3.169 1.00 0.00 H new ATOM 122 N ARG A 33 13.819 -4.012 -4.398 1.00 0.00 N ATOM 123 CA ARG A 33 12.945 -2.945 -3.926 1.00 0.00 C ATOM 124 C ARG A 33 11.953 -2.538 -5.013 1.00 0.00 C ATOM 125 O ARG A 33 10.830 -2.148 -4.713 1.00 0.00 O ATOM 126 CB ARG A 33 13.728 -1.737 -3.393 1.00 0.00 C ATOM 127 CG ARG A 33 14.523 -0.973 -4.433 1.00 0.00 C ATOM 128 CD ARG A 33 15.344 0.135 -3.793 1.00 0.00 C ATOM 129 NE ARG A 33 14.508 1.095 -3.066 1.00 0.00 N ATOM 130 CZ ARG A 33 14.571 1.295 -1.746 1.00 0.00 C ATOM 131 NH1 ARG A 33 15.393 0.571 -0.998 1.00 0.00 N ATOM 132 NH2 ARG A 33 13.811 2.219 -1.170 1.00 0.00 N ATOM 0 H ARG A 33 14.799 -3.748 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 33 12.381 -3.340 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.027 -1.050 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.412 -2.081 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.184 -1.658 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.845 -0.546 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.071 -0.303 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.908 0.659 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 33 13.836 1.645 -3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.981 -0.142 -1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.437 0.727 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.175 2.781 -1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.864 2.367 -0.162 1.00 0.00 H new ATOM 146 N GLN A 34 12.375 -2.605 -6.275 1.00 0.00 N ATOM 147 CA GLN A 34 11.470 -2.329 -7.392 1.00 0.00 C ATOM 148 C GLN A 34 10.276 -3.288 -7.377 1.00 0.00 C ATOM 149 O GLN A 34 9.159 -2.909 -7.738 1.00 0.00 O ATOM 150 CB GLN A 34 12.200 -2.433 -8.730 1.00 0.00 C ATOM 151 CG GLN A 34 13.328 -1.431 -8.885 1.00 0.00 C ATOM 152 CD GLN A 34 12.894 -0.004 -8.615 1.00 0.00 C ATOM 153 OE1 GLN A 34 11.743 0.369 -8.843 1.00 0.00 O ATOM 154 NE2 GLN A 34 13.817 0.808 -8.134 1.00 0.00 N ATOM 0 H GLN A 34 13.328 -2.845 -6.549 1.00 0.00 H new ATOM 0 HA GLN A 34 11.104 -1.309 -7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.602 -3.440 -8.838 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.483 -2.288 -9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.137 -1.694 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.729 -1.498 -9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.760 0.461 -7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.587 1.782 -7.938 1.00 0.00 H new ATOM 163 N LYS A 35 10.520 -4.524 -6.948 1.00 0.00 N ATOM 164 CA LYS A 35 9.454 -5.513 -6.784 1.00 0.00 C ATOM 165 C LYS A 35 8.484 -5.034 -5.719 1.00 0.00 C ATOM 166 O LYS A 35 7.266 -5.168 -5.858 1.00 0.00 O ATOM 167 CB LYS A 35 10.038 -6.867 -6.374 1.00 0.00 C ATOM 168 CG LYS A 35 11.161 -7.351 -7.274 1.00 0.00 C ATOM 169 CD LYS A 35 11.854 -8.571 -6.688 1.00 0.00 C ATOM 170 CE LYS A 35 13.072 -8.964 -7.506 1.00 0.00 C ATOM 171 NZ LYS A 35 13.810 -10.102 -6.896 1.00 0.00 N ATOM 0 H LYS A 35 11.450 -4.867 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 35 8.932 -5.631 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.410 -6.797 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.241 -7.610 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.761 -7.595 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.887 -6.551 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.155 -8.362 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.154 -9.406 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.759 -9.234 -8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.739 -8.107 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.420 -10.545 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.396 -9.754 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.131 -10.804 -6.538 1.00 0.00 H new ATOM 185 N VAL A 36 9.045 -4.448 -4.670 1.00 0.00 N ATOM 186 CA VAL A 36 8.264 -3.873 -3.590 1.00 0.00 C ATOM 187 C VAL A 36 7.367 -2.763 -4.118 1.00 0.00 C ATOM 188 O VAL A 36 6.174 -2.736 -3.842 1.00 0.00 O ATOM 189 CB VAL A 36 9.186 -3.310 -2.489 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.418 -2.429 -1.520 1.00 0.00 C ATOM 191 CG2 VAL A 36 9.875 -4.444 -1.747 1.00 0.00 C ATOM 0 H VAL A 36 10.054 -4.359 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 36 7.646 -4.663 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 36 9.944 -2.692 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.097 -2.049 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.975 -1.593 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.629 -3.012 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.522 -4.032 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.124 -5.087 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.473 -5.027 -2.448 1.00 0.00 H new ATOM 201 N VAL A 37 7.948 -1.873 -4.911 1.00 0.00 N ATOM 202 CA VAL A 37 7.205 -0.762 -5.491 1.00 0.00 C ATOM 203 C VAL A 37 6.040 -1.269 -6.343 1.00 0.00 C ATOM 204 O VAL A 37 4.961 -0.679 -6.348 1.00 0.00 O ATOM 205 CB VAL A 37 8.113 0.148 -6.347 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.349 1.370 -6.833 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.344 0.572 -5.561 1.00 0.00 C ATOM 0 H VAL A 37 8.935 -1.899 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 37 6.813 -0.174 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 37 8.438 -0.423 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.009 1.996 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.500 1.052 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.990 1.939 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.970 1.212 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.036 1.120 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.910 -0.312 -5.266 1.00 0.00 H new ATOM 217 N SER A 38 6.260 -2.367 -7.056 1.00 0.00 N ATOM 218 CA SER A 38 5.230 -2.937 -7.917 1.00 0.00 C ATOM 219 C SER A 38 4.014 -3.380 -7.100 1.00 0.00 C ATOM 220 O SER A 38 2.868 -3.079 -7.448 1.00 0.00 O ATOM 221 CB SER A 38 5.799 -4.119 -8.706 1.00 0.00 C ATOM 222 OG SER A 38 4.867 -4.600 -9.659 1.00 0.00 O ATOM 0 H SER A 38 7.141 -2.880 -7.055 1.00 0.00 H new ATOM 0 HA SER A 38 4.905 -2.167 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.715 -3.814 -9.212 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.067 -4.922 -8.019 1.00 0.00 H new ATOM 0 HG SER A 38 5.259 -5.353 -10.148 1.00 0.00 H new ATOM 228 N ASP A 39 4.246 -4.089 -6.006 1.00 0.00 N ATOM 229 CA ASP A 39 3.143 -4.501 -5.151 1.00 0.00 C ATOM 230 C ASP A 39 2.573 -3.297 -4.420 1.00 0.00 C ATOM 231 O ASP A 39 1.374 -3.202 -4.186 1.00 0.00 O ATOM 232 CB ASP A 39 3.570 -5.564 -4.145 1.00 0.00 C ATOM 233 CG ASP A 39 3.970 -6.864 -4.803 1.00 0.00 C ATOM 234 OD1 ASP A 39 5.109 -7.323 -4.572 1.00 0.00 O ATOM 235 OD2 ASP A 39 3.157 -7.426 -5.559 1.00 0.00 O ATOM 0 H ASP A 39 5.170 -4.387 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 39 2.376 -4.938 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.407 -5.187 -3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.751 -5.750 -3.450 1.00 0.00 H new ATOM 240 N LEU A 40 3.458 -2.379 -4.071 1.00 0.00 N ATOM 241 CA LEU A 40 3.096 -1.173 -3.347 1.00 0.00 C ATOM 242 C LEU A 40 2.110 -0.326 -4.149 1.00 0.00 C ATOM 243 O LEU A 40 1.116 0.157 -3.610 1.00 0.00 O ATOM 244 CB LEU A 40 4.364 -0.384 -3.036 1.00 0.00 C ATOM 245 CG LEU A 40 4.235 0.716 -1.988 1.00 0.00 C ATOM 246 CD1 LEU A 40 3.693 0.153 -0.683 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.586 1.366 -1.763 1.00 0.00 C ATOM 0 H LEU A 40 4.453 -2.450 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 40 2.602 -1.447 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.130 -1.085 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.723 0.066 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 40 3.533 1.467 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.609 0.954 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.710 -0.286 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.371 -0.613 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.491 2.152 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.297 0.617 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.942 1.798 -2.698 1.00 0.00 H new ATOM 259 N VAL A 41 2.375 -0.153 -5.440 1.00 0.00 N ATOM 260 CA VAL A 41 1.444 0.559 -6.308 1.00 0.00 C ATOM 261 C VAL A 41 0.114 -0.191 -6.397 1.00 0.00 C ATOM 262 O VAL A 41 -0.942 0.429 -6.506 1.00 0.00 O ATOM 263 CB VAL A 41 2.009 0.846 -7.722 1.00 0.00 C ATOM 264 CG1 VAL A 41 3.267 1.693 -7.629 1.00 0.00 C ATOM 265 CG2 VAL A 41 2.283 -0.429 -8.496 1.00 0.00 C ATOM 0 H VAL A 41 3.217 -0.492 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 41 1.280 1.533 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 41 1.247 1.400 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.651 1.885 -8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.033 2.640 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.021 1.162 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.678 -0.179 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.012 -1.033 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.357 -0.992 -8.609 1.00 0.00 H new ATOM 275 N ALA A 42 0.166 -1.528 -6.362 1.00 0.00 N ATOM 276 CA ALA A 42 -1.057 -2.336 -6.303 1.00 0.00 C ATOM 277 C ALA A 42 -1.860 -2.006 -5.046 1.00 0.00 C ATOM 278 O ALA A 42 -3.091 -1.926 -5.090 1.00 0.00 O ATOM 279 CB ALA A 42 -0.733 -3.822 -6.321 1.00 0.00 C ATOM 0 H ALA A 42 1.031 -2.068 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.652 -2.096 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.658 -4.397 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.198 -4.067 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.110 -4.069 -5.461 1.00 0.00 H new ATOM 285 N LEU A 43 -1.161 -1.812 -3.930 1.00 0.00 N ATOM 286 CA LEU A 43 -1.805 -1.408 -2.684 1.00 0.00 C ATOM 287 C LEU A 43 -2.506 -0.074 -2.871 1.00 0.00 C ATOM 288 O LEU A 43 -3.676 0.085 -2.530 1.00 0.00 O ATOM 289 CB LEU A 43 -0.781 -1.279 -1.550 1.00 0.00 C ATOM 290 CG LEU A 43 -0.579 -2.525 -0.689 1.00 0.00 C ATOM 291 CD1 LEU A 43 -0.114 -3.696 -1.530 1.00 0.00 C ATOM 292 CD2 LEU A 43 0.419 -2.234 0.418 1.00 0.00 C ATOM 0 H LEU A 43 -0.150 -1.928 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.531 -2.177 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.180 -1.001 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.087 -0.458 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.536 -2.794 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.022 -4.570 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.861 -3.916 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.832 -3.446 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.557 -3.127 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.373 -1.942 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.043 -1.423 1.043 1.00 0.00 H new ATOM 304 N GLU A 44 -1.781 0.869 -3.449 1.00 0.00 N ATOM 305 CA GLU A 44 -2.299 2.204 -3.688 1.00 0.00 C ATOM 306 C GLU A 44 -3.492 2.161 -4.641 1.00 0.00 C ATOM 307 O GLU A 44 -4.460 2.905 -4.475 1.00 0.00 O ATOM 308 CB GLU A 44 -1.192 3.078 -4.263 1.00 0.00 C ATOM 309 CG GLU A 44 -1.581 4.531 -4.423 1.00 0.00 C ATOM 310 CD GLU A 44 -0.495 5.338 -5.091 1.00 0.00 C ATOM 311 OE1 GLU A 44 -0.259 5.124 -6.298 1.00 0.00 O ATOM 312 OE2 GLU A 44 0.113 6.197 -4.418 1.00 0.00 O ATOM 0 H GLU A 44 -0.821 0.731 -3.764 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.641 2.626 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.318 3.015 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.897 2.682 -5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.496 4.598 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.799 4.958 -3.444 1.00 0.00 H new ATOM 319 N GLY A 45 -3.419 1.274 -5.626 1.00 0.00 N ATOM 320 CA GLY A 45 -4.509 1.103 -6.567 1.00 0.00 C ATOM 321 C GLY A 45 -5.777 0.631 -5.886 1.00 0.00 C ATOM 322 O GLY A 45 -6.878 1.036 -6.256 1.00 0.00 O ATOM 0 H GLY A 45 -2.617 0.665 -5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.701 2.048 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.218 0.383 -7.332 1.00 0.00 H new ATOM 326 N ALA A 46 -5.622 -0.232 -4.890 1.00 0.00 N ATOM 327 CA ALA A 46 -6.754 -0.700 -4.104 1.00 0.00 C ATOM 328 C ALA A 46 -7.332 0.448 -3.286 1.00 0.00 C ATOM 329 O ALA A 46 -8.548 0.570 -3.129 1.00 0.00 O ATOM 330 CB ALA A 46 -6.334 -1.850 -3.201 1.00 0.00 C ATOM 0 H ALA A 46 -4.723 -0.622 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.527 -1.066 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.192 -2.188 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.961 -2.673 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.548 -1.513 -2.525 1.00 0.00 H new ATOM 336 N LEU A 47 -6.443 1.296 -2.782 1.00 0.00 N ATOM 337 CA LEU A 47 -6.835 2.494 -2.048 1.00 0.00 C ATOM 338 C LEU A 47 -7.660 3.426 -2.935 1.00 0.00 C ATOM 339 O LEU A 47 -8.652 4.006 -2.487 1.00 0.00 O ATOM 340 CB LEU A 47 -5.589 3.223 -1.523 1.00 0.00 C ATOM 341 CG LEU A 47 -5.069 2.774 -0.147 1.00 0.00 C ATOM 342 CD1 LEU A 47 -5.013 1.260 -0.036 1.00 0.00 C ATOM 343 CD2 LEU A 47 -3.692 3.367 0.108 1.00 0.00 C ATOM 0 H LEU A 47 -5.434 1.174 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.452 2.194 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.787 3.097 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.811 4.289 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.766 3.137 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.641 0.981 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.012 0.848 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.346 0.864 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.332 3.044 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.001 3.028 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.755 4.455 0.086 1.00 0.00 H new ATOM 355 N ASP A 48 -7.248 3.556 -4.194 1.00 0.00 N ATOM 356 CA ASP A 48 -7.984 4.361 -5.168 1.00 0.00 C ATOM 357 C ASP A 48 -9.386 3.814 -5.377 1.00 0.00 C ATOM 358 O ASP A 48 -10.362 4.564 -5.383 1.00 0.00 O ATOM 359 CB ASP A 48 -7.261 4.396 -6.516 1.00 0.00 C ATOM 360 CG ASP A 48 -6.144 5.414 -6.566 1.00 0.00 C ATOM 361 OD1 ASP A 48 -6.435 6.623 -6.418 1.00 0.00 O ATOM 362 OD2 ASP A 48 -4.980 5.020 -6.790 1.00 0.00 O ATOM 0 H ASP A 48 -6.407 3.114 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.044 5.372 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.853 3.408 -6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.982 4.619 -7.302 1.00 0.00 H new ATOM 367 N MET A 49 -9.480 2.499 -5.533 1.00 0.00 N ATOM 368 CA MET A 49 -10.766 1.847 -5.749 1.00 0.00 C ATOM 369 C MET A 49 -11.665 2.038 -4.536 1.00 0.00 C ATOM 370 O MET A 49 -12.870 2.260 -4.666 1.00 0.00 O ATOM 371 CB MET A 49 -10.575 0.353 -6.031 1.00 0.00 C ATOM 372 CG MET A 49 -9.753 0.069 -7.277 1.00 0.00 C ATOM 373 SD MET A 49 -10.477 0.791 -8.763 1.00 0.00 S ATOM 374 CE MET A 49 -9.282 0.282 -9.999 1.00 0.00 C ATOM 0 H MET A 49 -8.682 1.864 -5.514 1.00 0.00 H new ATOM 0 HA MET A 49 -11.240 2.306 -6.617 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.090 -0.111 -5.172 1.00 0.00 H new ATOM 0 HB3 MET A 49 -11.553 -0.116 -6.137 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.745 0.461 -7.141 1.00 0.00 H new ATOM 0 HG3 MET A 49 -9.660 -1.009 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.589 0.653 -10.977 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.303 0.690 -9.748 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.226 -0.806 -10.025 1.00 0.00 H new ATOM 384 N TYR A 50 -11.062 1.972 -3.359 1.00 0.00 N ATOM 385 CA TYR A 50 -11.792 2.129 -2.113 1.00 0.00 C ATOM 386 C TYR A 50 -12.377 3.534 -2.013 1.00 0.00 C ATOM 387 O TYR A 50 -13.538 3.710 -1.636 1.00 0.00 O ATOM 388 CB TYR A 50 -10.866 1.866 -0.926 1.00 0.00 C ATOM 389 CG TYR A 50 -11.528 1.118 0.204 1.00 0.00 C ATOM 390 CD1 TYR A 50 -11.387 -0.256 0.313 1.00 0.00 C ATOM 391 CD2 TYR A 50 -12.292 1.780 1.156 1.00 0.00 C ATOM 392 CE1 TYR A 50 -11.991 -0.956 1.336 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.900 1.086 2.187 1.00 0.00 C ATOM 394 CZ TYR A 50 -12.747 -0.284 2.270 1.00 0.00 C ATOM 395 OH TYR A 50 -13.348 -0.986 3.289 1.00 0.00 O ATOM 0 H TYR A 50 -10.062 1.810 -3.242 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.608 1.407 -2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.002 1.297 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.492 2.818 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -10.794 -0.788 -0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -12.413 2.851 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.872 -2.027 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.491 1.612 2.922 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.253 -0.639 3.436 1.00 0.00 H new ATOM 405 N LYS A 51 -11.570 4.532 -2.362 1.00 0.00 N ATOM 406 CA LYS A 51 -12.006 5.921 -2.303 1.00 0.00 C ATOM 407 C LYS A 51 -13.035 6.219 -3.384 1.00 0.00 C ATOM 408 O LYS A 51 -13.932 7.028 -3.183 1.00 0.00 O ATOM 409 CB LYS A 51 -10.818 6.878 -2.429 1.00 0.00 C ATOM 410 CG LYS A 51 -11.225 8.341 -2.352 1.00 0.00 C ATOM 411 CD LYS A 51 -10.023 9.261 -2.276 1.00 0.00 C ATOM 412 CE LYS A 51 -10.444 10.720 -2.212 1.00 0.00 C ATOM 413 NZ LYS A 51 -11.046 11.180 -3.489 1.00 0.00 N ATOM 0 H LYS A 51 -10.612 4.404 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.472 6.076 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.100 6.664 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.311 6.697 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.823 8.597 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.856 8.496 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.429 9.013 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.386 9.102 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.162 10.855 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.577 11.338 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.163 12.213 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.423 10.921 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.974 10.729 -3.618 1.00 0.00 H new ATOM 427 N LEU A 52 -12.909 5.574 -4.527 1.00 0.00 N ATOM 428 CA LEU A 52 -13.875 5.757 -5.598 1.00 0.00 C ATOM 429 C LEU A 52 -15.249 5.260 -5.157 1.00 0.00 C ATOM 430 O LEU A 52 -16.261 5.942 -5.341 1.00 0.00 O ATOM 431 CB LEU A 52 -13.405 5.033 -6.868 1.00 0.00 C ATOM 432 CG LEU A 52 -14.307 5.191 -8.098 1.00 0.00 C ATOM 433 CD1 LEU A 52 -13.476 5.164 -9.369 1.00 0.00 C ATOM 434 CD2 LEU A 52 -15.355 4.087 -8.149 1.00 0.00 C ATOM 0 H LEU A 52 -12.154 4.922 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.956 6.820 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.409 5.395 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.311 3.970 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.815 6.152 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.130 5.277 -10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.755 5.981 -9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.946 4.214 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.982 4.221 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.860 3.117 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.974 4.131 -7.253 1.00 0.00 H new ATOM 446 N ASP A 53 -15.276 4.079 -4.559 1.00 0.00 N ATOM 447 CA ASP A 53 -16.528 3.457 -4.146 1.00 0.00 C ATOM 448 C ASP A 53 -17.102 4.097 -2.880 1.00 0.00 C ATOM 449 O ASP A 53 -18.294 4.402 -2.817 1.00 0.00 O ATOM 450 CB ASP A 53 -16.330 1.956 -3.929 1.00 0.00 C ATOM 451 CG ASP A 53 -17.614 1.266 -3.515 1.00 0.00 C ATOM 452 OD1 ASP A 53 -18.547 1.187 -4.349 1.00 0.00 O ATOM 453 OD2 ASP A 53 -17.700 0.803 -2.360 1.00 0.00 O ATOM 0 H ASP A 53 -14.443 3.529 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.247 3.617 -4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.956 1.504 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.571 1.798 -3.163 1.00 0.00 H new ATOM 458 N ASN A 54 -16.259 4.310 -1.877 1.00 0.00 N ATOM 459 CA ASN A 54 -16.737 4.765 -0.571 1.00 0.00 C ATOM 460 C ASN A 54 -16.470 6.248 -0.337 1.00 0.00 C ATOM 461 O ASN A 54 -16.776 6.776 0.734 1.00 0.00 O ATOM 462 CB ASN A 54 -16.097 3.944 0.552 1.00 0.00 C ATOM 463 CG ASN A 54 -16.515 2.488 0.519 1.00 0.00 C ATOM 464 OD1 ASN A 54 -17.529 2.109 1.102 1.00 0.00 O ATOM 465 ND2 ASN A 54 -15.735 1.661 -0.158 1.00 0.00 N ATOM 0 H ASN A 54 -15.250 4.177 -1.938 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.817 4.618 -0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.012 4.009 0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.372 4.375 1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.967 0.669 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.902 2.015 -0.628 1.00 0.00 H new ATOM 472 N SER A 55 -15.892 6.905 -1.335 1.00 0.00 N ATOM 473 CA SER A 55 -15.596 8.339 -1.273 1.00 0.00 C ATOM 474 C SER A 55 -14.667 8.675 -0.105 1.00 0.00 C ATOM 475 O SER A 55 -14.737 9.765 0.467 1.00 0.00 O ATOM 476 CB SER A 55 -16.892 9.141 -1.178 1.00 0.00 C ATOM 477 OG SER A 55 -17.724 8.882 -2.298 1.00 0.00 O ATOM 0 H SER A 55 -15.614 6.463 -2.211 1.00 0.00 H new ATOM 0 HA SER A 55 -15.076 8.613 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.419 8.883 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.664 10.206 -1.126 1.00 0.00 H new ATOM 0 HG SER A 55 -18.550 9.403 -2.219 1.00 0.00 H new ATOM 483 N ARG A 56 -13.790 7.738 0.232 1.00 0.00 N ATOM 484 CA ARG A 56 -12.859 7.915 1.334 1.00 0.00 C ATOM 485 C ARG A 56 -11.749 6.876 1.245 1.00 0.00 C ATOM 486 O ARG A 56 -11.979 5.754 0.792 1.00 0.00 O ATOM 487 CB ARG A 56 -13.600 7.787 2.675 1.00 0.00 C ATOM 488 CG ARG A 56 -14.166 6.398 2.935 1.00 0.00 C ATOM 489 CD ARG A 56 -13.307 5.612 3.917 1.00 0.00 C ATOM 490 NE ARG A 56 -13.587 5.976 5.306 1.00 0.00 N ATOM 491 CZ ARG A 56 -12.829 5.613 6.344 1.00 0.00 C ATOM 492 NH1 ARG A 56 -11.665 5.006 6.145 1.00 0.00 N ATOM 493 NH2 ARG A 56 -13.222 5.891 7.578 1.00 0.00 N ATOM 0 H ARG A 56 -13.706 6.842 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.418 8.910 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.917 8.048 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.414 8.511 2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.179 6.486 3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.235 5.852 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.484 4.545 3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.254 5.791 3.701 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.414 6.543 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.345 4.815 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.090 4.731 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.102 6.382 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.644 5.614 8.372 1.00 0.00 H new ATOM 507 N TYR A 57 -10.551 7.258 1.657 1.00 0.00 N ATOM 508 CA TYR A 57 -9.427 6.338 1.682 1.00 0.00 C ATOM 509 C TYR A 57 -9.585 5.335 2.817 1.00 0.00 C ATOM 510 O TYR A 57 -10.101 5.665 3.886 1.00 0.00 O ATOM 511 CB TYR A 57 -8.106 7.096 1.817 1.00 0.00 C ATOM 512 CG TYR A 57 -7.572 7.612 0.500 1.00 0.00 C ATOM 513 CD1 TYR A 57 -7.243 6.730 -0.523 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.392 8.970 0.278 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.750 7.186 -1.728 1.00 0.00 C ATOM 516 CE2 TYR A 57 -6.899 9.434 -0.927 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.578 8.539 -1.926 1.00 0.00 C ATOM 518 OH TYR A 57 -6.092 9.000 -3.129 1.00 0.00 O ATOM 0 H TYR A 57 -10.332 8.201 1.979 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.411 5.794 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.245 7.936 2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.363 6.439 2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.376 5.669 -0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.641 9.674 1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.500 6.486 -2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.766 10.494 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.032 9.978 -3.104 1.00 0.00 H new ATOM 528 N PRO A 58 -9.154 4.091 2.585 1.00 0.00 N ATOM 529 CA PRO A 58 -9.311 3.005 3.550 1.00 0.00 C ATOM 530 C PRO A 58 -8.406 3.161 4.764 1.00 0.00 C ATOM 531 O PRO A 58 -7.268 3.622 4.654 1.00 0.00 O ATOM 532 CB PRO A 58 -8.908 1.765 2.753 1.00 0.00 C ATOM 533 CG PRO A 58 -7.994 2.266 1.695 1.00 0.00 C ATOM 534 CD PRO A 58 -8.465 3.651 1.360 1.00 0.00 C ATOM 0 HA PRO A 58 -10.323 2.969 3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.411 1.032 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.780 1.274 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.962 2.279 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.024 1.621 0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.632 4.308 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.137 3.649 0.502 1.00 0.00 H new ATOM 542 N THR A 59 -8.923 2.779 5.922 1.00 0.00 N ATOM 543 CA THR A 59 -8.145 2.783 7.143 1.00 0.00 C ATOM 544 C THR A 59 -7.151 1.616 7.123 1.00 0.00 C ATOM 545 O THR A 59 -7.157 0.815 6.185 1.00 0.00 O ATOM 546 CB THR A 59 -9.068 2.706 8.377 1.00 0.00 C ATOM 547 OG1 THR A 59 -10.325 3.332 8.071 1.00 0.00 O ATOM 548 CG2 THR A 59 -8.446 3.418 9.572 1.00 0.00 C ATOM 0 H THR A 59 -9.885 2.461 6.038 1.00 0.00 H new ATOM 0 HA THR A 59 -7.586 3.717 7.208 1.00 0.00 H new ATOM 0 HB THR A 59 -9.213 1.656 8.629 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.866 2.728 7.521 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.118 3.348 10.427 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.494 2.949 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.281 4.467 9.325 1.00 0.00 H new ATOM 556 N THR A 60 -6.326 1.519 8.160 1.00 0.00 N ATOM 557 CA THR A 60 -5.195 0.593 8.201 1.00 0.00 C ATOM 558 C THR A 60 -5.585 -0.841 7.828 1.00 0.00 C ATOM 559 O THR A 60 -4.906 -1.485 7.024 1.00 0.00 O ATOM 560 CB THR A 60 -4.575 0.604 9.609 1.00 0.00 C ATOM 561 OG1 THR A 60 -4.200 1.945 9.956 1.00 0.00 O ATOM 562 CG2 THR A 60 -3.362 -0.312 9.695 1.00 0.00 C ATOM 0 H THR A 60 -6.422 2.084 9.003 1.00 0.00 H new ATOM 0 HA THR A 60 -4.474 0.934 7.458 1.00 0.00 H new ATOM 0 HB THR A 60 -5.321 0.233 10.312 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.807 1.953 10.854 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.951 -0.278 10.704 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.660 -1.334 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.605 0.019 8.984 1.00 0.00 H new ATOM 570 N GLU A 61 -6.682 -1.327 8.386 1.00 0.00 N ATOM 571 CA GLU A 61 -7.115 -2.696 8.135 1.00 0.00 C ATOM 572 C GLU A 61 -7.690 -2.845 6.729 1.00 0.00 C ATOM 573 O GLU A 61 -7.463 -3.852 6.055 1.00 0.00 O ATOM 574 CB GLU A 61 -8.160 -3.124 9.172 1.00 0.00 C ATOM 575 CG GLU A 61 -8.753 -4.499 8.909 1.00 0.00 C ATOM 576 CD GLU A 61 -9.704 -4.946 9.997 1.00 0.00 C ATOM 577 OE1 GLU A 61 -9.251 -5.618 10.948 1.00 0.00 O ATOM 578 OE2 GLU A 61 -10.907 -4.629 9.910 1.00 0.00 O ATOM 0 H GLU A 61 -7.288 -0.798 9.013 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.241 -3.342 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.701 -3.119 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.964 -2.388 9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.280 -4.486 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.946 -5.226 8.817 1.00 0.00 H new ATOM 585 N GLN A 62 -8.407 -1.823 6.285 1.00 0.00 N ATOM 586 CA GLN A 62 -9.178 -1.904 5.052 1.00 0.00 C ATOM 587 C GLN A 62 -8.279 -1.905 3.818 1.00 0.00 C ATOM 588 O GLN A 62 -8.496 -2.683 2.893 1.00 0.00 O ATOM 589 CB GLN A 62 -10.164 -0.738 4.969 1.00 0.00 C ATOM 590 CG GLN A 62 -10.933 -0.491 6.254 1.00 0.00 C ATOM 591 CD GLN A 62 -11.967 0.607 6.112 1.00 0.00 C ATOM 592 OE1 GLN A 62 -11.659 1.787 6.261 1.00 0.00 O ATOM 593 NE2 GLN A 62 -13.202 0.227 5.844 1.00 0.00 N ATOM 0 H GLN A 62 -8.471 -0.924 6.762 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.724 -2.847 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.619 0.168 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.873 -0.931 4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.427 -1.413 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.233 -0.226 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.417 -0.763 5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.942 0.924 5.753 1.00 0.00 H new ATOM 602 N GLY A 63 -7.268 -1.044 3.815 1.00 0.00 N ATOM 603 CA GLY A 63 -6.456 -0.855 2.622 1.00 0.00 C ATOM 604 C GLY A 63 -5.674 -2.092 2.214 1.00 0.00 C ATOM 605 O GLY A 63 -5.708 -2.492 1.052 1.00 0.00 O ATOM 0 H GLY A 63 -6.994 -0.473 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.102 -0.556 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.759 -0.035 2.794 1.00 0.00 H new ATOM 609 N LEU A 64 -4.972 -2.694 3.165 1.00 0.00 N ATOM 610 CA LEU A 64 -4.174 -3.884 2.893 1.00 0.00 C ATOM 611 C LEU A 64 -5.045 -5.042 2.418 1.00 0.00 C ATOM 612 O LEU A 64 -4.684 -5.766 1.494 1.00 0.00 O ATOM 613 CB LEU A 64 -3.409 -4.293 4.152 1.00 0.00 C ATOM 614 CG LEU A 64 -1.902 -4.455 3.975 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.276 -3.138 3.547 1.00 0.00 C ATOM 616 CD2 LEU A 64 -1.274 -4.956 5.265 1.00 0.00 C ATOM 0 H LEU A 64 -4.939 -2.377 4.134 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.469 -3.644 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.589 -3.546 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.819 -5.235 4.516 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.716 -5.191 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.201 -3.269 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.713 -2.818 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.465 -2.381 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.199 -5.068 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.465 -4.240 6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.708 -5.920 5.530 1.00 0.00 H new ATOM 628 N GLN A 65 -6.192 -5.205 3.054 1.00 0.00 N ATOM 629 CA GLN A 65 -7.099 -6.298 2.734 1.00 0.00 C ATOM 630 C GLN A 65 -7.800 -6.084 1.394 1.00 0.00 C ATOM 631 O GLN A 65 -8.220 -7.042 0.753 1.00 0.00 O ATOM 632 CB GLN A 65 -8.132 -6.469 3.847 1.00 0.00 C ATOM 633 CG GLN A 65 -7.548 -7.027 5.134 1.00 0.00 C ATOM 634 CD GLN A 65 -7.105 -8.472 4.994 1.00 0.00 C ATOM 635 OE1 GLN A 65 -7.884 -9.395 5.227 1.00 0.00 O ATOM 636 NE2 GLN A 65 -5.855 -8.681 4.614 1.00 0.00 N ATOM 0 H GLN A 65 -6.520 -4.591 3.800 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.502 -7.206 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.594 -5.504 4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.924 -7.132 3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.697 -6.417 5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.291 -6.954 5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.239 -7.889 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.508 -9.634 4.505 1.00 0.00 H new ATOM 645 N ALA A 66 -7.884 -4.832 0.961 1.00 0.00 N ATOM 646 CA ALA A 66 -8.737 -4.451 -0.164 1.00 0.00 C ATOM 647 C ALA A 66 -8.401 -5.191 -1.460 1.00 0.00 C ATOM 648 O ALA A 66 -9.289 -5.431 -2.279 1.00 0.00 O ATOM 649 CB ALA A 66 -8.662 -2.947 -0.387 1.00 0.00 C ATOM 0 H ALA A 66 -7.368 -4.055 1.374 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.753 -4.742 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.300 -2.671 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.999 -2.429 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.633 -2.662 -0.605 1.00 0.00 H new ATOM 655 N LEU A 67 -7.142 -5.568 -1.660 1.00 0.00 N ATOM 656 CA LEU A 67 -6.776 -6.250 -2.898 1.00 0.00 C ATOM 657 C LEU A 67 -6.810 -7.773 -2.773 1.00 0.00 C ATOM 658 O LEU A 67 -6.610 -8.476 -3.760 1.00 0.00 O ATOM 659 CB LEU A 67 -5.413 -5.780 -3.448 1.00 0.00 C ATOM 660 CG LEU A 67 -4.258 -5.596 -2.449 1.00 0.00 C ATOM 661 CD1 LEU A 67 -4.050 -6.829 -1.582 1.00 0.00 C ATOM 662 CD2 LEU A 67 -2.978 -5.280 -3.211 1.00 0.00 C ATOM 0 H LEU A 67 -6.377 -5.419 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.543 -5.967 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.091 -6.498 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.568 -4.829 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.517 -4.770 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.225 -6.654 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.959 -7.033 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.817 -7.685 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.157 -5.149 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.746 -6.101 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.113 -4.363 -3.785 1.00 0.00 H new ATOM 674 N VAL A 68 -7.079 -8.286 -1.579 1.00 0.00 N ATOM 675 CA VAL A 68 -7.095 -9.733 -1.373 1.00 0.00 C ATOM 676 C VAL A 68 -8.481 -10.224 -0.940 1.00 0.00 C ATOM 677 O VAL A 68 -8.972 -11.244 -1.429 1.00 0.00 O ATOM 678 CB VAL A 68 -6.016 -10.183 -0.351 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.164 -9.458 0.977 1.00 0.00 C ATOM 680 CG2 VAL A 68 -6.062 -11.690 -0.142 1.00 0.00 C ATOM 0 H VAL A 68 -7.287 -7.733 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.857 -10.189 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.044 -9.919 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.392 -9.799 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.061 -8.384 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.146 -9.670 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.297 -11.981 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.044 -11.975 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.878 -12.195 -1.091 1.00 0.00 H new ATOM 690 N SER A 69 -9.119 -9.482 -0.047 1.00 0.00 N ATOM 691 CA SER A 69 -10.430 -9.853 0.462 1.00 0.00 C ATOM 692 C SER A 69 -11.155 -8.620 0.978 1.00 0.00 C ATOM 693 O SER A 69 -10.592 -7.851 1.758 1.00 0.00 O ATOM 694 CB SER A 69 -10.280 -10.887 1.580 1.00 0.00 C ATOM 695 OG SER A 69 -9.394 -10.422 2.586 1.00 0.00 O ATOM 0 H SER A 69 -8.747 -8.615 0.341 1.00 0.00 H new ATOM 0 HA SER A 69 -11.016 -10.291 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.255 -11.098 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.907 -11.824 1.166 1.00 0.00 H new ATOM 0 HG SER A 69 -9.363 -9.443 2.568 1.00 0.00 H new ATOM 701 N ALA A 70 -12.398 -8.440 0.543 1.00 0.00 N ATOM 702 CA ALA A 70 -13.182 -7.268 0.914 1.00 0.00 C ATOM 703 C ALA A 70 -13.265 -7.113 2.430 1.00 0.00 C ATOM 704 O ALA A 70 -13.720 -8.023 3.129 1.00 0.00 O ATOM 705 CB ALA A 70 -14.578 -7.361 0.321 1.00 0.00 C ATOM 0 H ALA A 70 -12.885 -9.094 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.680 -6.388 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.153 -6.480 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.509 -7.414 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.074 -8.256 0.697 1.00 0.00 H new ATOM 711 N PRO A 71 -12.807 -5.966 2.955 1.00 0.00 N ATOM 712 CA PRO A 71 -12.865 -5.668 4.387 1.00 0.00 C ATOM 713 C PRO A 71 -14.294 -5.562 4.901 1.00 0.00 C ATOM 714 O PRO A 71 -15.164 -4.973 4.251 1.00 0.00 O ATOM 715 CB PRO A 71 -12.159 -4.313 4.514 1.00 0.00 C ATOM 716 CG PRO A 71 -11.376 -4.165 3.259 1.00 0.00 C ATOM 717 CD PRO A 71 -12.165 -4.877 2.202 1.00 0.00 C ATOM 0 HA PRO A 71 -12.402 -6.460 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.879 -3.502 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.510 -4.287 5.389 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.240 -3.114 3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.382 -4.599 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.899 -4.221 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.525 -5.258 1.406 1.00 0.00 H new ATOM 725 N SER A 72 -14.529 -6.141 6.067 1.00 0.00 N ATOM 726 CA SER A 72 -15.825 -6.066 6.712 1.00 0.00 C ATOM 727 C SER A 72 -15.912 -4.792 7.544 1.00 0.00 C ATOM 728 O SER A 72 -16.984 -4.409 8.015 1.00 0.00 O ATOM 729 CB SER A 72 -16.043 -7.300 7.588 1.00 0.00 C ATOM 730 OG SER A 72 -15.858 -8.488 6.834 1.00 0.00 O ATOM 0 H SER A 72 -13.831 -6.672 6.588 1.00 0.00 H new ATOM 0 HA SER A 72 -16.607 -6.040 5.953 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.348 -7.284 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.049 -7.282 8.007 1.00 0.00 H new ATOM 0 HG SER A 72 -16.000 -9.267 7.411 1.00 0.00 H new ATOM 736 N ALA A 73 -14.768 -4.147 7.717 1.00 0.00 N ATOM 737 CA ALA A 73 -14.697 -2.875 8.416 1.00 0.00 C ATOM 738 C ALA A 73 -15.423 -1.794 7.629 1.00 0.00 C ATOM 739 O ALA A 73 -15.311 -1.728 6.404 1.00 0.00 O ATOM 740 CB ALA A 73 -13.246 -2.480 8.635 1.00 0.00 C ATOM 0 H ALA A 73 -13.869 -4.489 7.379 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.184 -2.983 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.204 -1.525 9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.747 -3.244 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.745 -2.387 7.672 1.00 0.00 H new ATOM 746 N GLU A 74 -16.171 -0.960 8.334 1.00 0.00 N ATOM 747 CA GLU A 74 -16.926 0.109 7.700 1.00 0.00 C ATOM 748 C GLU A 74 -16.006 1.274 7.333 1.00 0.00 C ATOM 749 O GLU A 74 -15.082 1.603 8.080 1.00 0.00 O ATOM 750 CB GLU A 74 -18.054 0.586 8.621 1.00 0.00 C ATOM 751 CG GLU A 74 -17.572 1.194 9.928 1.00 0.00 C ATOM 752 CD GLU A 74 -18.711 1.593 10.839 1.00 0.00 C ATOM 753 OE1 GLU A 74 -19.489 2.496 10.468 1.00 0.00 O ATOM 754 OE2 GLU A 74 -18.832 1.009 11.938 1.00 0.00 O ATOM 0 H GLU A 74 -16.272 -1.003 9.348 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.369 -0.280 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.655 1.324 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.708 -0.257 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.933 0.477 10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.960 2.070 9.713 1.00 0.00 H new ATOM 761 N PRO A 75 -16.225 1.902 6.165 1.00 0.00 N ATOM 762 CA PRO A 75 -17.263 1.504 5.209 1.00 0.00 C ATOM 763 C PRO A 75 -16.881 0.237 4.447 1.00 0.00 C ATOM 764 O PRO A 75 -15.750 0.099 3.976 1.00 0.00 O ATOM 765 CB PRO A 75 -17.358 2.699 4.245 1.00 0.00 C ATOM 766 CG PRO A 75 -16.503 3.771 4.839 1.00 0.00 C ATOM 767 CD PRO A 75 -15.484 3.069 5.687 1.00 0.00 C ATOM 0 HA PRO A 75 -18.205 1.274 5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.008 2.427 3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.389 3.035 4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.021 4.362 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.100 4.459 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -14.603 2.784 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -15.138 3.696 6.509 1.00 0.00 H new ATOM 775 N HIS A 76 -17.832 -0.680 4.340 1.00 0.00 N ATOM 776 CA HIS A 76 -17.595 -1.972 3.708 1.00 0.00 C ATOM 777 C HIS A 76 -17.332 -1.791 2.215 1.00 0.00 C ATOM 778 O HIS A 76 -18.106 -1.135 1.517 1.00 0.00 O ATOM 779 CB HIS A 76 -18.808 -2.880 3.929 1.00 0.00 C ATOM 780 CG HIS A 76 -18.551 -4.333 3.667 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.635 -5.294 4.650 1.00 0.00 N ATOM 782 CD2 HIS A 76 -18.231 -4.993 2.529 1.00 0.00 C ATOM 783 CE1 HIS A 76 -18.375 -6.476 4.128 1.00 0.00 C ATOM 784 NE2 HIS A 76 -18.128 -6.323 2.843 1.00 0.00 N ATOM 0 H HIS A 76 -18.783 -0.552 4.686 1.00 0.00 H new ATOM 0 HA HIS A 76 -16.716 -2.435 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.151 -2.764 4.957 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.620 -2.545 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.084 -4.553 1.554 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -18.366 -7.413 4.664 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.898 -7.071 2.189 1.00 0.00 H new ATOM 793 N ALA A 77 -16.238 -2.372 1.739 1.00 0.00 N ATOM 794 CA ALA A 77 -15.852 -2.260 0.338 1.00 0.00 C ATOM 795 C ALA A 77 -16.887 -2.896 -0.579 1.00 0.00 C ATOM 796 O ALA A 77 -17.329 -4.022 -0.349 1.00 0.00 O ATOM 797 CB ALA A 77 -14.496 -2.907 0.112 1.00 0.00 C ATOM 0 H ALA A 77 -15.599 -2.929 2.306 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.792 -1.199 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.220 -2.816 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.748 -2.408 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.546 -3.961 0.384 1.00 0.00 H new ATOM 803 N ARG A 78 -17.275 -2.161 -1.608 1.00 0.00 N ATOM 804 CA ARG A 78 -18.191 -2.663 -2.616 1.00 0.00 C ATOM 805 C ARG A 78 -17.515 -2.652 -3.979 1.00 0.00 C ATOM 806 O ARG A 78 -16.465 -2.029 -4.146 1.00 0.00 O ATOM 807 CB ARG A 78 -19.468 -1.825 -2.654 1.00 0.00 C ATOM 808 CG ARG A 78 -20.316 -1.935 -1.398 1.00 0.00 C ATOM 809 CD ARG A 78 -20.783 -3.361 -1.162 1.00 0.00 C ATOM 810 NE ARG A 78 -21.528 -3.892 -2.305 1.00 0.00 N ATOM 811 CZ ARG A 78 -21.795 -5.186 -2.479 1.00 0.00 C ATOM 812 NH1 ARG A 78 -21.412 -6.075 -1.569 1.00 0.00 N ATOM 813 NH2 ARG A 78 -22.458 -5.590 -3.557 1.00 0.00 N ATOM 0 H ARG A 78 -16.964 -1.203 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.463 -3.687 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.200 -0.780 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.066 -2.131 -3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -19.740 -1.593 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.181 -1.278 -1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.920 -3.997 -0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.412 -3.394 -0.273 1.00 0.00 H new ATOM 0 HE ARG A 78 -21.862 -3.234 -3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -20.912 -5.768 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.618 -7.065 -1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -22.763 -4.909 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -22.662 -6.581 -3.689 1.00 0.00 H new ATOM 827 N ASN A 79 -18.108 -3.371 -4.933 1.00 0.00 N ATOM 828 CA ASN A 79 -17.568 -3.478 -6.290 1.00 0.00 C ATOM 829 C ASN A 79 -16.242 -4.230 -6.266 1.00 0.00 C ATOM 830 O ASN A 79 -15.343 -3.982 -7.076 1.00 0.00 O ATOM 831 CB ASN A 79 -17.391 -2.090 -6.922 1.00 0.00 C ATOM 832 CG ASN A 79 -18.000 -2.001 -8.306 1.00 0.00 C ATOM 833 OD1 ASN A 79 -17.340 -2.271 -9.310 1.00 0.00 O ATOM 834 ND2 ASN A 79 -19.263 -1.609 -8.373 1.00 0.00 N ATOM 0 H ASN A 79 -18.972 -3.893 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.278 -4.035 -6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -17.850 -1.340 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.329 -1.854 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -19.723 -1.522 -9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -19.776 -1.394 -7.518 1.00 0.00 H new ATOM 841 N TYR A 80 -16.142 -5.161 -5.328 1.00 0.00 N ATOM 842 CA TYR A 80 -14.925 -5.928 -5.120 1.00 0.00 C ATOM 843 C TYR A 80 -14.953 -7.215 -5.937 1.00 0.00 C ATOM 844 O TYR A 80 -15.980 -7.888 -6.011 1.00 0.00 O ATOM 845 CB TYR A 80 -14.756 -6.253 -3.627 1.00 0.00 C ATOM 846 CG TYR A 80 -15.928 -7.002 -3.019 1.00 0.00 C ATOM 847 CD1 TYR A 80 -15.922 -8.389 -2.926 1.00 0.00 C ATOM 848 CD2 TYR A 80 -17.038 -6.319 -2.540 1.00 0.00 C ATOM 849 CE1 TYR A 80 -16.992 -9.072 -2.376 1.00 0.00 C ATOM 850 CE2 TYR A 80 -18.109 -6.994 -1.989 1.00 0.00 C ATOM 851 CZ TYR A 80 -18.082 -8.369 -1.909 1.00 0.00 C ATOM 852 OH TYR A 80 -19.151 -9.045 -1.360 1.00 0.00 O ATOM 0 H TYR A 80 -16.901 -5.405 -4.692 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.078 -5.328 -5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.852 -6.847 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.609 -5.323 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -15.068 -8.942 -3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.064 -5.241 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -16.973 -10.150 -2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.964 -6.446 -1.622 1.00 0.00 H new ATOM 0 HH TYR A 80 -19.835 -8.402 -1.079 1.00 0.00 H new ATOM 862 N PRO A 81 -13.831 -7.563 -6.575 1.00 0.00 N ATOM 863 CA PRO A 81 -13.719 -8.814 -7.321 1.00 0.00 C ATOM 864 C PRO A 81 -13.557 -10.014 -6.395 1.00 0.00 C ATOM 865 O PRO A 81 -12.847 -9.947 -5.384 1.00 0.00 O ATOM 866 CB PRO A 81 -12.458 -8.611 -8.157 1.00 0.00 C ATOM 867 CG PRO A 81 -11.628 -7.657 -7.368 1.00 0.00 C ATOM 868 CD PRO A 81 -12.594 -6.762 -6.637 1.00 0.00 C ATOM 0 HA PRO A 81 -14.609 -9.024 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.934 -9.553 -8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.696 -8.208 -9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.984 -8.189 -6.667 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.977 -7.076 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.230 -6.508 -5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.751 -5.823 -7.168 1.00 0.00 H new ATOM 876 N GLU A 82 -14.227 -11.105 -6.736 1.00 0.00 N ATOM 877 CA GLU A 82 -14.107 -12.340 -5.982 1.00 0.00 C ATOM 878 C GLU A 82 -12.694 -12.884 -6.111 1.00 0.00 C ATOM 879 O GLU A 82 -12.189 -13.068 -7.221 1.00 0.00 O ATOM 880 CB GLU A 82 -15.132 -13.365 -6.465 1.00 0.00 C ATOM 881 CG GLU A 82 -16.568 -12.903 -6.275 1.00 0.00 C ATOM 882 CD GLU A 82 -17.585 -13.925 -6.731 1.00 0.00 C ATOM 883 OE1 GLU A 82 -17.934 -14.820 -5.936 1.00 0.00 O ATOM 884 OE2 GLU A 82 -18.062 -13.825 -7.881 1.00 0.00 O ATOM 0 H GLU A 82 -14.861 -11.158 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.309 -12.136 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.960 -13.573 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.983 -14.301 -5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.735 -12.678 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.721 -11.976 -6.827 1.00 0.00 H new ATOM 891 N GLY A 83 -12.051 -13.110 -4.979 1.00 0.00 N ATOM 892 CA GLY A 83 -10.673 -13.549 -4.982 1.00 0.00 C ATOM 893 C GLY A 83 -9.712 -12.381 -4.894 1.00 0.00 C ATOM 894 O GLY A 83 -8.507 -12.568 -4.722 1.00 0.00 O ATOM 0 H GLY A 83 -12.461 -12.997 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.504 -14.223 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.474 -14.116 -5.891 1.00 0.00 H new ATOM 898 N GLY A 84 -10.256 -11.172 -5.015 1.00 0.00 N ATOM 899 CA GLY A 84 -9.449 -9.971 -4.935 1.00 0.00 C ATOM 900 C GLY A 84 -8.703 -9.693 -6.224 1.00 0.00 C ATOM 901 O GLY A 84 -8.920 -10.369 -7.232 1.00 0.00 O ATOM 0 H GLY A 84 -11.250 -11.005 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.089 -9.121 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.734 -10.070 -4.118 1.00 0.00 H new ATOM 905 N TYR A 85 -7.833 -8.694 -6.192 1.00 0.00 N ATOM 906 CA TYR A 85 -6.978 -8.385 -7.329 1.00 0.00 C ATOM 907 C TYR A 85 -5.739 -9.265 -7.269 1.00 0.00 C ATOM 908 O TYR A 85 -5.109 -9.558 -8.285 1.00 0.00 O ATOM 909 CB TYR A 85 -6.587 -6.904 -7.327 1.00 0.00 C ATOM 910 CG TYR A 85 -7.765 -5.963 -7.460 1.00 0.00 C ATOM 911 CD1 TYR A 85 -8.218 -5.222 -6.375 1.00 0.00 C ATOM 912 CD2 TYR A 85 -8.430 -5.821 -8.670 1.00 0.00 C ATOM 913 CE1 TYR A 85 -9.298 -4.369 -6.493 1.00 0.00 C ATOM 914 CE2 TYR A 85 -9.509 -4.969 -8.797 1.00 0.00 C ATOM 915 CZ TYR A 85 -9.940 -4.246 -7.707 1.00 0.00 C ATOM 916 OH TYR A 85 -11.019 -3.401 -7.827 1.00 0.00 O ATOM 0 H TYR A 85 -7.700 -8.081 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.521 -8.583 -8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.056 -6.679 -6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.892 -6.720 -8.146 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.717 -5.315 -5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.097 -6.387 -9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.638 -3.802 -5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.013 -4.870 -9.747 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.356 -3.429 -8.747 1.00 0.00 H new ATOM 926 N ILE A 86 -5.407 -9.684 -6.058 1.00 0.00 N ATOM 927 CA ILE A 86 -4.348 -10.647 -5.822 1.00 0.00 C ATOM 928 C ILE A 86 -4.802 -11.602 -4.717 1.00 0.00 C ATOM 929 O ILE A 86 -5.343 -11.174 -3.699 1.00 0.00 O ATOM 930 CB ILE A 86 -3.013 -9.950 -5.453 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.909 -10.987 -5.209 1.00 0.00 C ATOM 932 CG2 ILE A 86 -3.182 -9.042 -4.242 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.548 -10.377 -4.942 1.00 0.00 C ATOM 0 H ILE A 86 -5.869 -9.362 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.158 -11.208 -6.737 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.716 -9.327 -6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.190 -11.611 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.840 -11.642 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.229 -8.567 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.925 -8.275 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.513 -9.633 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.181 -11.171 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.244 -9.776 -5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.600 -9.745 -4.056 1.00 0.00 H new ATOM 945 N ARG A 87 -4.607 -12.898 -4.937 1.00 0.00 N ATOM 946 CA ARG A 87 -5.212 -13.918 -4.084 1.00 0.00 C ATOM 947 C ARG A 87 -4.586 -13.946 -2.697 1.00 0.00 C ATOM 948 O ARG A 87 -5.199 -14.423 -1.745 1.00 0.00 O ATOM 949 CB ARG A 87 -5.088 -15.296 -4.732 1.00 0.00 C ATOM 950 CG ARG A 87 -5.616 -15.351 -6.156 1.00 0.00 C ATOM 951 CD ARG A 87 -5.482 -16.746 -6.741 1.00 0.00 C ATOM 952 NE ARG A 87 -4.101 -17.222 -6.706 1.00 0.00 N ATOM 953 CZ ARG A 87 -3.760 -18.498 -6.535 1.00 0.00 C ATOM 954 NH1 ARG A 87 -4.699 -19.430 -6.411 1.00 0.00 N ATOM 955 NH2 ARG A 87 -2.483 -18.844 -6.496 1.00 0.00 N ATOM 0 H ARG A 87 -4.036 -13.268 -5.697 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.265 -13.660 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.040 -15.595 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.628 -16.023 -4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.663 -15.048 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.070 -14.640 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.118 -17.435 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.839 -16.743 -7.771 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.354 -16.537 -6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.684 -19.169 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.434 -20.406 -6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.759 -18.133 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.223 -19.822 -6.365 1.00 0.00 H new ATOM 969 N ARG A 88 -3.366 -13.449 -2.588 1.00 0.00 N ATOM 970 CA ARG A 88 -2.662 -13.443 -1.315 1.00 0.00 C ATOM 971 C ARG A 88 -2.067 -12.072 -1.049 1.00 0.00 C ATOM 972 O ARG A 88 -1.801 -11.313 -1.980 1.00 0.00 O ATOM 973 CB ARG A 88 -1.543 -14.485 -1.316 1.00 0.00 C ATOM 974 CG ARG A 88 -2.012 -15.900 -1.603 1.00 0.00 C ATOM 975 CD ARG A 88 -0.848 -16.874 -1.601 1.00 0.00 C ATOM 976 NE ARG A 88 0.159 -16.530 -2.605 1.00 0.00 N ATOM 977 CZ ARG A 88 1.453 -16.820 -2.492 1.00 0.00 C ATOM 978 NH1 ARG A 88 1.906 -17.451 -1.415 1.00 0.00 N ATOM 979 NH2 ARG A 88 2.296 -16.476 -3.456 1.00 0.00 N ATOM 0 H ARG A 88 -2.842 -13.045 -3.364 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.379 -13.687 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.799 -14.202 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.045 -14.469 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.744 -16.202 -0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.514 -15.931 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.386 -16.884 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.219 -17.881 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.150 -16.038 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.261 -17.715 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.899 -17.671 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.953 -15.989 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.288 -16.698 -3.370 1.00 0.00 H new ATOM 993 N LEU A 89 -1.870 -11.760 0.222 1.00 0.00 N ATOM 994 CA LEU A 89 -1.201 -10.530 0.616 1.00 0.00 C ATOM 995 C LEU A 89 0.224 -10.509 0.083 1.00 0.00 C ATOM 996 O LEU A 89 1.000 -11.433 0.336 1.00 0.00 O ATOM 997 CB LEU A 89 -1.192 -10.395 2.140 1.00 0.00 C ATOM 998 CG LEU A 89 -2.501 -9.894 2.751 1.00 0.00 C ATOM 999 CD1 LEU A 89 -2.523 -10.133 4.252 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -2.677 -8.413 2.455 1.00 0.00 C ATOM 0 H LEU A 89 -2.166 -12.346 1.003 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.747 -9.688 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.954 -11.366 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.391 -9.713 2.425 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.326 -10.450 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.464 -9.769 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.428 -11.200 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.693 -9.602 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.612 -8.063 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.844 -7.855 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.702 -8.258 1.376 1.00 0.00 H new ATOM 1012 N PRO A 90 0.578 -9.472 -0.686 1.00 0.00 N ATOM 1013 CA PRO A 90 1.927 -9.322 -1.229 1.00 0.00 C ATOM 1014 C PRO A 90 2.956 -9.139 -0.120 1.00 0.00 C ATOM 1015 O PRO A 90 2.658 -8.566 0.929 1.00 0.00 O ATOM 1016 CB PRO A 90 1.837 -8.069 -2.104 1.00 0.00 C ATOM 1017 CG PRO A 90 0.646 -7.328 -1.604 1.00 0.00 C ATOM 1018 CD PRO A 90 -0.309 -8.367 -1.092 1.00 0.00 C ATOM 0 HA PRO A 90 2.250 -10.202 -1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.740 -7.465 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.725 -8.331 -3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.925 -6.632 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 90 0.191 -6.740 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.897 -7.994 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.014 -8.679 -1.862 1.00 0.00 H new ATOM 1026 N GLN A 91 4.161 -9.629 -0.355 1.00 0.00 N ATOM 1027 CA GLN A 91 5.216 -9.573 0.643 1.00 0.00 C ATOM 1028 C GLN A 91 6.545 -9.202 0.001 1.00 0.00 C ATOM 1029 O GLN A 91 6.816 -9.569 -1.142 1.00 0.00 O ATOM 1030 CB GLN A 91 5.338 -10.918 1.363 1.00 0.00 C ATOM 1031 CG GLN A 91 4.188 -11.212 2.312 1.00 0.00 C ATOM 1032 CD GLN A 91 4.287 -12.588 2.938 1.00 0.00 C ATOM 1033 OE1 GLN A 91 4.817 -13.523 2.335 1.00 0.00 O ATOM 1034 NE2 GLN A 91 3.800 -12.717 4.159 1.00 0.00 N ATOM 0 H GLN A 91 4.434 -10.072 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 91 4.957 -8.804 1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.396 -11.713 0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.273 -10.936 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.170 -10.459 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.245 -11.130 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.369 -11.918 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.855 -13.616 4.638 1.00 0.00 H new ATOM 1043 N ASP A 92 7.352 -8.455 0.745 1.00 0.00 N ATOM 1044 CA ASP A 92 8.685 -8.063 0.307 1.00 0.00 C ATOM 1045 C ASP A 92 9.510 -9.304 0.009 1.00 0.00 C ATOM 1046 O ASP A 92 9.402 -10.312 0.715 1.00 0.00 O ATOM 1047 CB ASP A 92 9.400 -7.244 1.394 1.00 0.00 C ATOM 1048 CG ASP A 92 8.669 -5.974 1.790 1.00 0.00 C ATOM 1049 OD1 ASP A 92 9.045 -5.370 2.823 1.00 0.00 O ATOM 1050 OD2 ASP A 92 7.721 -5.582 1.083 1.00 0.00 O ATOM 0 H ASP A 92 7.100 -8.104 1.669 1.00 0.00 H new ATOM 0 HA ASP A 92 8.582 -7.452 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.529 -7.868 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.397 -6.982 1.040 1.00 0.00 H new ATOM 1055 N PRO A 93 10.358 -9.240 -1.033 1.00 0.00 N ATOM 1056 CA PRO A 93 11.181 -10.374 -1.474 1.00 0.00 C ATOM 1057 C PRO A 93 12.138 -10.860 -0.388 1.00 0.00 C ATOM 1058 O PRO A 93 12.651 -11.978 -0.448 1.00 0.00 O ATOM 1059 CB PRO A 93 11.968 -9.814 -2.665 1.00 0.00 C ATOM 1060 CG PRO A 93 11.903 -8.335 -2.513 1.00 0.00 C ATOM 1061 CD PRO A 93 10.579 -8.051 -1.873 1.00 0.00 C ATOM 0 HA PRO A 93 10.568 -11.240 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.000 -10.166 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.531 -10.132 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.723 -7.969 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.985 -7.838 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.605 -7.137 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.790 -7.928 -2.615 1.00 0.00 H new ATOM 1069 N TRP A 94 12.387 -10.001 0.593 1.00 0.00 N ATOM 1070 CA TRP A 94 13.245 -10.342 1.719 1.00 0.00 C ATOM 1071 C TRP A 94 12.476 -11.141 2.772 1.00 0.00 C ATOM 1072 O TRP A 94 13.070 -11.747 3.664 1.00 0.00 O ATOM 1073 CB TRP A 94 13.834 -9.071 2.329 1.00 0.00 C ATOM 1074 CG TRP A 94 14.601 -8.258 1.335 1.00 0.00 C ATOM 1075 CD1 TRP A 94 15.832 -8.544 0.824 1.00 0.00 C ATOM 1076 CD2 TRP A 94 14.191 -7.029 0.730 1.00 0.00 C ATOM 1077 NE1 TRP A 94 16.209 -7.574 -0.070 1.00 0.00 N ATOM 1078 CE2 TRP A 94 15.219 -6.631 -0.143 1.00 0.00 C ATOM 1079 CE3 TRP A 94 13.053 -6.228 0.838 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 15.143 -5.466 -0.900 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.978 -5.072 0.087 1.00 0.00 C ATOM 1082 CH2 TRP A 94 14.016 -4.701 -0.774 1.00 0.00 C ATOM 0 H TRP A 94 12.003 -9.057 0.630 1.00 0.00 H new ATOM 0 HA TRP A 94 14.060 -10.969 1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 94 13.029 -8.465 2.745 1.00 0.00 H new ATOM 0 HB3 TRP A 94 14.490 -9.340 3.157 1.00 0.00 H new ATOM 0 HD1 TRP A 94 16.424 -9.409 1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 94 17.084 -7.558 -0.594 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.245 -6.508 1.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.945 -5.176 -1.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 12.103 -4.444 0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.926 -3.792 -1.351 1.00 0.00 H new ATOM 1093 N GLY A 95 11.153 -11.144 2.658 1.00 0.00 N ATOM 1094 CA GLY A 95 10.332 -11.893 3.588 1.00 0.00 C ATOM 1095 C GLY A 95 9.568 -11.008 4.557 1.00 0.00 C ATOM 1096 O GLY A 95 9.173 -11.455 5.633 1.00 0.00 O ATOM 0 H GLY A 95 10.635 -10.641 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.624 -12.503 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.965 -12.577 4.153 1.00 0.00 H new ATOM 1100 N SER A 96 9.360 -9.756 4.188 1.00 0.00 N ATOM 1101 CA SER A 96 8.624 -8.830 5.036 1.00 0.00 C ATOM 1102 C SER A 96 7.209 -8.616 4.498 1.00 0.00 C ATOM 1103 O SER A 96 6.926 -8.929 3.346 1.00 0.00 O ATOM 1104 CB SER A 96 9.365 -7.499 5.120 1.00 0.00 C ATOM 1105 OG SER A 96 10.711 -7.686 5.526 1.00 0.00 O ATOM 0 H SER A 96 9.689 -9.356 3.309 1.00 0.00 H new ATOM 0 HA SER A 96 8.549 -9.258 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.341 -7.004 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.858 -6.841 5.826 1.00 0.00 H new ATOM 0 HG SER A 96 11.271 -6.984 5.134 1.00 0.00 H new ATOM 1111 N ASP A 97 6.325 -8.097 5.339 1.00 0.00 N ATOM 1112 CA ASP A 97 4.944 -7.833 4.942 1.00 0.00 C ATOM 1113 C ASP A 97 4.726 -6.340 4.747 1.00 0.00 C ATOM 1114 O ASP A 97 5.305 -5.521 5.464 1.00 0.00 O ATOM 1115 CB ASP A 97 3.972 -8.356 6.003 1.00 0.00 C ATOM 1116 CG ASP A 97 3.988 -9.866 6.126 1.00 0.00 C ATOM 1117 OD1 ASP A 97 4.898 -10.404 6.793 1.00 0.00 O ATOM 1118 OD2 ASP A 97 3.079 -10.521 5.577 1.00 0.00 O ATOM 0 H ASP A 97 6.539 -7.849 6.305 1.00 0.00 H new ATOM 0 HA ASP A 97 4.756 -8.349 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.224 -7.916 6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.962 -8.028 5.757 1.00 0.00 H new ATOM 1123 N TYR A 98 3.892 -5.996 3.772 1.00 0.00 N ATOM 1124 CA TYR A 98 3.571 -4.602 3.480 1.00 0.00 C ATOM 1125 C TYR A 98 2.715 -4.012 4.591 1.00 0.00 C ATOM 1126 O TYR A 98 1.905 -4.715 5.199 1.00 0.00 O ATOM 1127 CB TYR A 98 2.830 -4.487 2.143 1.00 0.00 C ATOM 1128 CG TYR A 98 3.702 -4.748 0.931 1.00 0.00 C ATOM 1129 CD1 TYR A 98 4.222 -6.010 0.693 1.00 0.00 C ATOM 1130 CD2 TYR A 98 3.998 -3.738 0.023 1.00 0.00 C ATOM 1131 CE1 TYR A 98 5.012 -6.264 -0.406 1.00 0.00 C ATOM 1132 CE2 TYR A 98 4.794 -3.986 -1.082 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.297 -5.253 -1.289 1.00 0.00 C ATOM 1134 OH TYR A 98 6.085 -5.515 -2.386 1.00 0.00 O ATOM 0 H TYR A 98 3.422 -6.668 3.166 1.00 0.00 H new ATOM 0 HA TYR A 98 4.506 -4.045 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.999 -5.192 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.402 -3.488 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.003 -6.811 1.384 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.601 -2.746 0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.406 -7.256 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.020 -3.192 -1.778 1.00 0.00 H new ATOM 0 HH TYR A 98 6.900 -5.978 -2.100 1.00 0.00 H new ATOM 1144 N GLN A 99 2.898 -2.728 4.859 1.00 0.00 N ATOM 1145 CA GLN A 99 2.147 -2.059 5.905 1.00 0.00 C ATOM 1146 C GLN A 99 1.457 -0.807 5.390 1.00 0.00 C ATOM 1147 O GLN A 99 1.985 -0.086 4.544 1.00 0.00 O ATOM 1148 CB GLN A 99 3.058 -1.697 7.078 1.00 0.00 C ATOM 1149 CG GLN A 99 3.463 -2.890 7.923 1.00 0.00 C ATOM 1150 CD GLN A 99 2.272 -3.598 8.534 1.00 0.00 C ATOM 1151 OE1 GLN A 99 1.245 -2.981 8.819 1.00 0.00 O ATOM 1152 NE2 GLN A 99 2.399 -4.896 8.739 1.00 0.00 N ATOM 0 H GLN A 99 3.561 -2.130 4.365 1.00 0.00 H new ATOM 0 HA GLN A 99 1.381 -2.756 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.956 -1.213 6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.550 -0.970 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.024 -3.594 7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.132 -2.558 8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.267 -5.369 8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.629 -5.426 9.148 1.00 0.00 H new ATOM 1161 N LEU A 100 0.263 -0.579 5.902 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.472 0.647 5.659 1.00 0.00 C ATOM 1163 C LEU A 100 -0.768 1.313 6.985 1.00 0.00 C ATOM 1164 O LEU A 100 -1.031 0.629 7.971 1.00 0.00 O ATOM 1165 CB LEU A 100 -1.794 0.367 4.944 1.00 0.00 C ATOM 1166 CG LEU A 100 -2.780 1.542 4.948 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -2.389 2.598 3.931 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -4.190 1.056 4.704 1.00 0.00 C ATOM 0 H LEU A 100 -0.227 -1.243 6.502 1.00 0.00 H new ATOM 0 HA LEU A 100 0.136 1.293 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.582 0.090 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.271 -0.493 5.413 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.742 2.005 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.109 3.416 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.396 2.980 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.381 2.158 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.874 1.905 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.241 0.557 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.474 0.355 5.489 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.698 2.627 7.031 1.00 0.00 N ATOM 1181 CA LEU A 101 -1.105 3.335 8.223 1.00 0.00 C ATOM 1182 C LEU A 101 -1.973 4.536 7.861 1.00 0.00 C ATOM 1183 O LEU A 101 -1.518 5.474 7.204 1.00 0.00 O ATOM 1184 CB LEU A 101 0.132 3.754 9.034 1.00 0.00 C ATOM 1185 CG LEU A 101 -0.123 4.176 10.489 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.642 5.601 10.562 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -1.104 3.224 11.157 1.00 0.00 C ATOM 0 H LEU A 101 -0.368 3.218 6.268 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.707 2.672 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.838 2.923 9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.617 4.582 8.517 1.00 0.00 H new ATOM 0 HG LEU A 101 0.827 4.132 11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.814 5.873 11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.092 6.278 10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.578 5.676 10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.272 3.539 12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.049 3.236 10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.694 2.214 11.149 1.00 0.00 H new ATOM 1199 N SER A 102 -3.238 4.464 8.246 1.00 0.00 N ATOM 1200 CA SER A 102 -4.158 5.580 8.102 1.00 0.00 C ATOM 1201 C SER A 102 -4.430 6.195 9.478 1.00 0.00 C ATOM 1202 O SER A 102 -4.698 5.465 10.435 1.00 0.00 O ATOM 1203 CB SER A 102 -5.460 5.100 7.454 1.00 0.00 C ATOM 1204 OG SER A 102 -6.260 6.183 7.011 1.00 0.00 O ATOM 0 H SER A 102 -3.654 3.633 8.666 1.00 0.00 H new ATOM 0 HA SER A 102 -3.716 6.341 7.459 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.228 4.451 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.023 4.502 8.170 1.00 0.00 H new ATOM 0 HG SER A 102 -7.081 5.838 6.602 1.00 0.00 H new ATOM 1210 N PRO A 103 -4.352 7.531 9.621 1.00 0.00 N ATOM 1211 CA PRO A 103 -3.991 8.448 8.536 1.00 0.00 C ATOM 1212 C PRO A 103 -2.494 8.438 8.259 1.00 0.00 C ATOM 1213 O PRO A 103 -1.684 8.201 9.160 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.427 9.810 9.074 1.00 0.00 C ATOM 1215 CG PRO A 103 -4.305 9.687 10.551 1.00 0.00 C ATOM 1216 CD PRO A 103 -4.620 8.251 10.880 1.00 0.00 C ATOM 0 HA PRO A 103 -4.460 8.179 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.794 10.609 8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.450 10.044 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.301 9.951 10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.995 10.363 11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.995 7.881 11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.656 8.132 11.196 1.00 0.00 H new ATOM 1224 N GLY A 104 -2.142 8.700 7.011 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.763 8.622 6.583 1.00 0.00 C ATOM 1226 C GLY A 104 0.140 9.626 7.261 1.00 0.00 C ATOM 1227 O GLY A 104 -0.275 10.739 7.595 1.00 0.00 O ATOM 0 H GLY A 104 -2.798 8.969 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.387 7.618 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.717 8.775 5.505 1.00 0.00 H new ATOM 1231 N GLN A 105 1.381 9.219 7.460 1.00 0.00 N ATOM 1232 CA GLN A 105 2.396 10.056 8.075 1.00 0.00 C ATOM 1233 C GLN A 105 2.879 11.116 7.089 1.00 0.00 C ATOM 1234 O GLN A 105 3.094 12.273 7.454 1.00 0.00 O ATOM 1235 CB GLN A 105 3.565 9.176 8.523 1.00 0.00 C ATOM 1236 CG GLN A 105 4.746 9.940 9.097 1.00 0.00 C ATOM 1237 CD GLN A 105 5.867 9.016 9.529 1.00 0.00 C ATOM 1238 OE1 GLN A 105 6.035 7.926 8.984 1.00 0.00 O ATOM 1239 NE2 GLN A 105 6.655 9.449 10.496 1.00 0.00 N ATOM 0 H GLN A 105 1.715 8.292 7.198 1.00 0.00 H new ATOM 0 HA GLN A 105 1.971 10.565 8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.206 8.471 9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.908 8.589 7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.121 10.640 8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.415 10.531 9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.484 10.359 10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.435 8.874 10.815 1.00 0.00 H new ATOM 1248 N HIS A 106 3.020 10.714 5.837 1.00 0.00 N ATOM 1249 CA HIS A 106 3.550 11.585 4.798 1.00 0.00 C ATOM 1250 C HIS A 106 2.419 12.064 3.896 1.00 0.00 C ATOM 1251 O HIS A 106 2.399 13.216 3.460 1.00 0.00 O ATOM 1252 CB HIS A 106 4.595 10.842 3.956 1.00 0.00 C ATOM 1253 CG HIS A 106 5.655 10.141 4.753 1.00 0.00 C ATOM 1254 ND1 HIS A 106 5.598 8.799 5.050 1.00 0.00 N ATOM 1255 CD2 HIS A 106 6.809 10.592 5.300 1.00 0.00 C ATOM 1256 CE1 HIS A 106 6.662 8.453 5.745 1.00 0.00 C ATOM 1257 NE2 HIS A 106 7.413 9.520 5.909 1.00 0.00 N ATOM 0 H HIS A 106 2.772 9.780 5.512 1.00 0.00 H new ATOM 0 HA HIS A 106 4.024 12.443 5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 106 4.085 10.109 3.331 1.00 0.00 H new ATOM 0 HB3 HIS A 106 5.075 11.554 3.285 1.00 0.00 H new ATOM 0 HD1 HIS A 106 4.846 8.168 4.774 1.00 0.00 H new ATOM 0 HD2 HIS A 106 7.184 11.604 5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 106 6.880 7.463 6.117 1.00 0.00 H new ATOM 1266 N GLY A 107 1.483 11.165 3.615 1.00 0.00 N ATOM 1267 CA GLY A 107 0.340 11.504 2.791 1.00 0.00 C ATOM 1268 C GLY A 107 -0.967 11.262 3.516 1.00 0.00 C ATOM 1269 O GLY A 107 -1.001 11.242 4.744 1.00 0.00 O ATOM 0 H GLY A 107 1.497 10.200 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.403 12.551 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.363 10.912 1.876 1.00 0.00 H new ATOM 1273 N GLN A 108 -2.046 11.073 2.766 1.00 0.00 N ATOM 1274 CA GLN A 108 -3.346 10.810 3.370 1.00 0.00 C ATOM 1275 C GLN A 108 -3.385 9.392 3.925 1.00 0.00 C ATOM 1276 O GLN A 108 -3.906 9.147 5.013 1.00 0.00 O ATOM 1277 CB GLN A 108 -4.471 11.007 2.352 1.00 0.00 C ATOM 1278 CG GLN A 108 -5.862 10.796 2.929 1.00 0.00 C ATOM 1279 CD GLN A 108 -6.166 11.735 4.080 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -6.685 12.831 3.880 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -5.850 11.310 5.292 1.00 0.00 N ATOM 0 H GLN A 108 -2.047 11.097 1.746 1.00 0.00 H new ATOM 0 HA GLN A 108 -3.495 11.518 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -4.406 12.015 1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -4.323 10.316 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.603 10.940 2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -5.957 9.765 3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.420 10.393 5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.036 11.899 6.104 1.00 0.00 H new ATOM 1290 N VAL A 109 -2.832 8.470 3.158 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.687 7.085 3.577 1.00 0.00 C ATOM 1292 C VAL A 109 -1.299 6.589 3.207 1.00 0.00 C ATOM 1293 O VAL A 109 -0.903 6.646 2.041 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.757 6.166 2.941 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -5.035 6.178 3.763 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -4.045 6.585 1.506 1.00 0.00 C ATOM 0 H VAL A 109 -2.469 8.660 2.224 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.827 7.048 4.657 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.364 5.149 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.773 5.525 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.822 5.824 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.428 7.194 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.800 5.925 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.411 7.612 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.130 6.519 0.917 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.554 6.127 4.197 1.00 0.00 N ATOM 1307 CA ASP A 110 0.832 5.750 3.978 1.00 0.00 C ATOM 1308 C ASP A 110 1.003 4.251 3.854 1.00 0.00 C ATOM 1309 O ASP A 110 0.725 3.497 4.787 1.00 0.00 O ATOM 1310 CB ASP A 110 1.722 6.281 5.097 1.00 0.00 C ATOM 1311 CG ASP A 110 2.526 7.480 4.655 1.00 0.00 C ATOM 1312 OD1 ASP A 110 3.693 7.302 4.262 1.00 0.00 O ATOM 1313 OD2 ASP A 110 1.997 8.606 4.703 1.00 0.00 O ATOM 0 H ASP A 110 -0.883 6.004 5.155 1.00 0.00 H new ATOM 0 HA ASP A 110 1.135 6.201 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.105 6.553 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.398 5.493 5.429 1.00 0.00 H new ATOM 1318 N ILE A 111 1.450 3.832 2.682 1.00 0.00 N ATOM 1319 CA ILE A 111 1.804 2.446 2.442 1.00 0.00 C ATOM 1320 C ILE A 111 3.318 2.315 2.352 1.00 0.00 C ATOM 1321 O ILE A 111 3.968 3.035 1.585 1.00 0.00 O ATOM 1322 CB ILE A 111 1.158 1.901 1.149 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.392 2.865 -0.019 1.00 0.00 C ATOM 1324 CG2 ILE A 111 -0.329 1.657 1.354 1.00 0.00 C ATOM 1325 CD1 ILE A 111 0.827 2.378 -1.332 1.00 0.00 C ATOM 0 H ILE A 111 1.577 4.441 1.874 1.00 0.00 H new ATOM 0 HA ILE A 111 1.425 1.856 3.276 1.00 0.00 H new ATOM 0 HB ILE A 111 1.630 0.949 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.946 3.830 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.463 3.029 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.765 1.273 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.472 0.929 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.817 2.593 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.031 3.113 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.291 1.428 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.250 2.241 -1.236 1.00 0.00 H new ATOM 1337 N PHE A 112 3.879 1.420 3.148 1.00 0.00 N ATOM 1338 CA PHE A 112 5.318 1.232 3.183 1.00 0.00 C ATOM 1339 C PHE A 112 5.677 -0.203 3.543 1.00 0.00 C ATOM 1340 O PHE A 112 4.964 -0.872 4.292 1.00 0.00 O ATOM 1341 CB PHE A 112 5.975 2.219 4.161 1.00 0.00 C ATOM 1342 CG PHE A 112 5.352 2.253 5.533 1.00 0.00 C ATOM 1343 CD1 PHE A 112 4.315 3.130 5.816 1.00 0.00 C ATOM 1344 CD2 PHE A 112 5.812 1.421 6.541 1.00 0.00 C ATOM 1345 CE1 PHE A 112 3.748 3.174 7.075 1.00 0.00 C ATOM 1346 CE2 PHE A 112 5.248 1.460 7.802 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.215 2.339 8.069 1.00 0.00 C ATOM 0 H PHE A 112 3.358 0.812 3.779 1.00 0.00 H new ATOM 0 HA PHE A 112 5.704 1.433 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.030 1.962 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.930 3.220 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.946 3.787 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.621 0.734 6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.940 3.861 7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.614 0.804 8.578 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.774 2.372 9.054 1.00 0.00 H new ATOM 1357 N SER A 113 6.772 -0.670 2.973 1.00 0.00 N ATOM 1358 CA SER A 113 7.278 -2.000 3.243 1.00 0.00 C ATOM 1359 C SER A 113 8.385 -1.966 4.284 1.00 0.00 C ATOM 1360 O SER A 113 9.122 -0.982 4.411 1.00 0.00 O ATOM 1361 CB SER A 113 7.806 -2.620 1.960 1.00 0.00 C ATOM 1362 OG SER A 113 6.751 -2.931 1.077 1.00 0.00 O ATOM 0 H SER A 113 7.335 -0.137 2.310 1.00 0.00 H new ATOM 0 HA SER A 113 6.457 -2.602 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.498 -1.930 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.368 -3.524 2.193 1.00 0.00 H new ATOM 0 HG SER A 113 6.789 -3.882 0.844 1.00 0.00 H new ATOM 1368 N LEU A 114 8.501 -3.065 5.011 1.00 0.00 N ATOM 1369 CA LEU A 114 9.481 -3.196 6.076 1.00 0.00 C ATOM 1370 C LEU A 114 10.866 -3.408 5.502 1.00 0.00 C ATOM 1371 O LEU A 114 11.861 -3.232 6.197 1.00 0.00 O ATOM 1372 CB LEU A 114 9.118 -4.365 6.988 1.00 0.00 C ATOM 1373 CG LEU A 114 8.081 -4.075 8.082 1.00 0.00 C ATOM 1374 CD1 LEU A 114 6.937 -3.237 7.551 1.00 0.00 C ATOM 1375 CD2 LEU A 114 7.547 -5.375 8.663 1.00 0.00 C ATOM 0 H LEU A 114 7.918 -3.892 4.879 1.00 0.00 H new ATOM 0 HA LEU A 114 9.478 -2.274 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.743 -5.179 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.030 -4.722 7.466 1.00 0.00 H new ATOM 0 HG LEU A 114 8.579 -3.509 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.221 -3.050 8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 114 7.323 -2.287 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.442 -3.769 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.813 -5.153 9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 114 7.076 -5.960 7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.369 -5.945 9.095 1.00 0.00 H new ATOM 1387 N GLY A 115 10.907 -3.839 4.243 1.00 0.00 N ATOM 1388 CA GLY A 115 12.154 -3.914 3.518 1.00 0.00 C ATOM 1389 C GLY A 115 13.092 -4.981 4.045 1.00 0.00 C ATOM 1390 O GLY A 115 12.656 -5.946 4.672 1.00 0.00 O ATOM 0 H GLY A 115 10.089 -4.139 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.944 -4.112 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.653 -2.946 3.566 1.00 0.00 H new ATOM 1394 N PRO A 116 14.397 -4.814 3.799 1.00 0.00 N ATOM 1395 CA PRO A 116 15.426 -5.783 4.182 1.00 0.00 C ATOM 1396 C PRO A 116 15.628 -5.869 5.691 1.00 0.00 C ATOM 1397 O PRO A 116 16.156 -6.859 6.196 1.00 0.00 O ATOM 1398 CB PRO A 116 16.701 -5.258 3.504 1.00 0.00 C ATOM 1399 CG PRO A 116 16.240 -4.221 2.536 1.00 0.00 C ATOM 1400 CD PRO A 116 14.978 -3.657 3.116 1.00 0.00 C ATOM 0 HA PRO A 116 15.149 -6.792 3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.388 -4.834 4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.234 -6.061 2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.993 -3.444 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.059 -4.656 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.180 -2.838 3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.315 -3.267 2.343 1.00 0.00 H new ATOM 1408 N ASP A 117 15.220 -4.828 6.411 1.00 0.00 N ATOM 1409 CA ASP A 117 15.389 -4.815 7.860 1.00 0.00 C ATOM 1410 C ASP A 117 14.219 -5.500 8.551 1.00 0.00 C ATOM 1411 O ASP A 117 14.301 -5.844 9.730 1.00 0.00 O ATOM 1412 CB ASP A 117 15.532 -3.376 8.385 1.00 0.00 C ATOM 1413 CG ASP A 117 14.280 -2.533 8.194 1.00 0.00 C ATOM 1414 OD1 ASP A 117 14.060 -2.039 7.080 1.00 0.00 O ATOM 1415 OD2 ASP A 117 13.518 -2.341 9.173 1.00 0.00 O ATOM 0 H ASP A 117 14.777 -3.995 6.023 1.00 0.00 H new ATOM 0 HA ASP A 117 16.302 -5.364 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.781 -3.408 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.366 -2.893 7.876 1.00 0.00 H new ATOM 1420 N GLY A 118 13.135 -5.711 7.809 1.00 0.00 N ATOM 1421 CA GLY A 118 11.996 -6.446 8.336 1.00 0.00 C ATOM 1422 C GLY A 118 11.228 -5.678 9.395 1.00 0.00 C ATOM 1423 O GLY A 118 10.254 -6.186 9.949 1.00 0.00 O ATOM 0 H GLY A 118 13.024 -5.385 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.322 -6.695 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.344 -7.388 8.760 1.00 0.00 H new ATOM 1427 N VAL A 119 11.672 -4.464 9.687 1.00 0.00 N ATOM 1428 CA VAL A 119 11.058 -3.654 10.721 1.00 0.00 C ATOM 1429 C VAL A 119 10.581 -2.320 10.151 1.00 0.00 C ATOM 1430 O VAL A 119 11.313 -1.659 9.381 1.00 0.00 O ATOM 1431 CB VAL A 119 12.048 -3.397 11.882 1.00 0.00 C ATOM 1432 CG1 VAL A 119 11.383 -2.628 13.012 1.00 0.00 C ATOM 1433 CG2 VAL A 119 12.616 -4.707 12.402 1.00 0.00 C ATOM 0 H VAL A 119 12.460 -4.019 9.217 1.00 0.00 H new ATOM 0 HA VAL A 119 10.199 -4.204 11.105 1.00 0.00 H new ATOM 0 HB VAL A 119 12.865 -2.790 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 119 12.104 -2.463 13.813 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.028 -1.667 12.639 1.00 0.00 H new ATOM 0 HG13 VAL A 119 10.539 -3.202 13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.310 -4.504 13.218 1.00 0.00 H new ATOM 0 HG22 VAL A 119 11.804 -5.337 12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.142 -5.220 11.597 1.00 0.00 H new ATOM 1443 N PRO A 120 9.340 -1.924 10.503 1.00 0.00 N ATOM 1444 CA PRO A 120 8.787 -0.629 10.125 1.00 0.00 C ATOM 1445 C PRO A 120 9.404 0.496 10.949 1.00 0.00 C ATOM 1446 O PRO A 120 9.981 0.248 12.015 1.00 0.00 O ATOM 1447 CB PRO A 120 7.296 -0.770 10.428 1.00 0.00 C ATOM 1448 CG PRO A 120 7.222 -1.784 11.515 1.00 0.00 C ATOM 1449 CD PRO A 120 8.383 -2.718 11.305 1.00 0.00 C ATOM 0 HA PRO A 120 8.987 -0.376 9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 120 6.865 0.180 10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.742 -1.094 9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 120 7.278 -1.308 12.494 1.00 0.00 H new ATOM 0 HG3 PRO A 120 6.277 -2.325 11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 120 8.820 -3.031 12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.077 -3.623 10.781 1.00 0.00 H new ATOM 1457 N GLU A 121 9.285 1.720 10.446 1.00 0.00 N ATOM 1458 CA GLU A 121 9.894 2.898 11.064 1.00 0.00 C ATOM 1459 C GLU A 121 11.407 2.822 10.910 1.00 0.00 C ATOM 1460 O GLU A 121 12.160 3.435 11.664 1.00 0.00 O ATOM 1461 CB GLU A 121 9.512 3.027 12.546 1.00 0.00 C ATOM 1462 CG GLU A 121 8.012 3.033 12.797 1.00 0.00 C ATOM 1463 CD GLU A 121 7.298 4.144 12.062 1.00 0.00 C ATOM 1464 OE1 GLU A 121 7.357 5.305 12.521 1.00 0.00 O ATOM 1465 OE2 GLU A 121 6.661 3.865 11.026 1.00 0.00 O ATOM 0 H GLU A 121 8.762 1.926 9.595 1.00 0.00 H new ATOM 0 HA GLU A 121 9.516 3.785 10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.960 2.202 13.100 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.941 3.947 12.943 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.594 2.074 12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.828 3.135 13.867 1.00 0.00 H new ATOM 1472 N SER A 122 11.837 2.057 9.918 1.00 0.00 N ATOM 1473 CA SER A 122 13.247 1.862 9.647 1.00 0.00 C ATOM 1474 C SER A 122 13.759 2.933 8.691 1.00 0.00 C ATOM 1475 O SER A 122 12.969 3.688 8.123 1.00 0.00 O ATOM 1476 CB SER A 122 13.470 0.491 9.009 1.00 0.00 C ATOM 1477 OG SER A 122 12.777 -0.540 9.698 1.00 0.00 O ATOM 0 H SER A 122 11.217 1.556 9.281 1.00 0.00 H new ATOM 0 HA SER A 122 13.788 1.928 10.591 1.00 0.00 H new ATOM 0 HB2 SER A 122 13.140 0.517 7.971 1.00 0.00 H new ATOM 0 HB3 SER A 122 14.536 0.266 8.999 1.00 0.00 H new ATOM 1483 N ASN A 123 15.072 2.993 8.504 1.00 0.00 N ATOM 1484 CA ASN A 123 15.637 3.789 7.419 1.00 0.00 C ATOM 1485 C ASN A 123 15.235 3.141 6.105 1.00 0.00 C ATOM 1486 O ASN A 123 14.993 3.803 5.097 1.00 0.00 O ATOM 1487 CB ASN A 123 17.168 3.870 7.509 1.00 0.00 C ATOM 1488 CG ASN A 123 17.664 4.597 8.745 1.00 0.00 C ATOM 1489 OD1 ASN A 123 17.063 4.527 9.814 1.00 0.00 O ATOM 1490 ND2 ASN A 123 18.772 5.306 8.605 1.00 0.00 N ATOM 0 H ASN A 123 15.759 2.507 9.081 1.00 0.00 H new ATOM 0 HA ASN A 123 15.255 4.807 7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 123 17.578 2.860 7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 123 17.550 4.376 6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 123 19.154 5.818 9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 123 19.244 5.341 7.702 1.00 0.00 H new ATOM 1497 N ASP A 124 15.138 1.821 6.152 1.00 0.00 N ATOM 1498 CA ASP A 124 14.679 1.029 5.034 1.00 0.00 C ATOM 1499 C ASP A 124 13.199 0.750 5.206 1.00 0.00 C ATOM 1500 O ASP A 124 12.779 -0.358 5.562 1.00 0.00 O ATOM 1501 CB ASP A 124 15.450 -0.287 4.927 1.00 0.00 C ATOM 1502 CG ASP A 124 16.913 -0.085 4.611 1.00 0.00 C ATOM 1503 OD1 ASP A 124 17.254 0.049 3.419 1.00 0.00 O ATOM 1504 OD2 ASP A 124 17.733 -0.070 5.550 1.00 0.00 O ATOM 0 H ASP A 124 15.379 1.270 6.976 1.00 0.00 H new ATOM 0 HA ASP A 124 14.853 1.588 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.358 -0.834 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.998 -0.906 4.152 1.00 0.00 H new ATOM 1509 N ASP A 125 12.427 1.793 5.072 1.00 0.00 N ATOM 1510 CA ASP A 125 10.982 1.675 5.000 1.00 0.00 C ATOM 1511 C ASP A 125 10.518 2.178 3.649 1.00 0.00 C ATOM 1512 O ASP A 125 10.434 3.383 3.415 1.00 0.00 O ATOM 1513 CB ASP A 125 10.309 2.445 6.133 1.00 0.00 C ATOM 1514 CG ASP A 125 9.966 1.558 7.317 1.00 0.00 C ATOM 1515 OD1 ASP A 125 8.835 1.692 7.845 1.00 0.00 O ATOM 1516 OD2 ASP A 125 10.821 0.728 7.734 1.00 0.00 O ATOM 0 H ASP A 125 12.773 2.750 5.009 1.00 0.00 H new ATOM 0 HA ASP A 125 10.699 0.629 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.968 3.248 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.399 2.914 5.759 1.00 0.00 H new ATOM 1521 N ILE A 126 10.251 1.244 2.753 1.00 0.00 N ATOM 1522 CA ILE A 126 9.953 1.575 1.372 1.00 0.00 C ATOM 1523 C ILE A 126 8.511 2.025 1.224 1.00 0.00 C ATOM 1524 O ILE A 126 7.595 1.210 1.169 1.00 0.00 O ATOM 1525 CB ILE A 126 10.211 0.380 0.439 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.648 -0.121 0.611 1.00 0.00 C ATOM 1527 CG2 ILE A 126 9.950 0.781 -1.004 1.00 0.00 C ATOM 1528 CD1 ILE A 126 11.948 -1.388 -0.159 1.00 0.00 C ATOM 0 H ILE A 126 10.235 0.245 2.960 1.00 0.00 H new ATOM 0 HA ILE A 126 10.617 2.391 1.087 1.00 0.00 H new ATOM 0 HB ILE A 126 9.531 -0.431 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 126 12.336 0.660 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 126 11.838 -0.297 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.135 -0.071 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 126 8.914 1.102 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.614 1.601 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 126 12.984 -1.681 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 126 11.285 -2.185 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 126 11.792 -1.213 -1.223 1.00 0.00 H new ATOM 1540 N GLY A 127 8.326 3.328 1.163 1.00 0.00 N ATOM 1541 CA GLY A 127 7.006 3.888 1.012 1.00 0.00 C ATOM 1542 C GLY A 127 6.776 4.370 -0.397 1.00 0.00 C ATOM 1543 O GLY A 127 7.728 4.690 -1.110 1.00 0.00 O ATOM 0 H GLY A 127 9.077 4.017 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.258 3.138 1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.878 4.717 1.708 1.00 0.00 H new ATOM 1547 N ASN A 128 5.526 4.431 -0.817 1.00 0.00 N ATOM 1548 CA ASN A 128 5.224 4.901 -2.159 1.00 0.00 C ATOM 1549 C ASN A 128 5.532 6.389 -2.253 1.00 0.00 C ATOM 1550 O ASN A 128 5.944 6.896 -3.292 1.00 0.00 O ATOM 1551 CB ASN A 128 3.765 4.631 -2.527 1.00 0.00 C ATOM 1552 CG ASN A 128 3.600 4.355 -4.008 1.00 0.00 C ATOM 1553 OD1 ASN A 128 4.490 3.799 -4.647 1.00 0.00 O ATOM 1554 ND2 ASN A 128 2.468 4.742 -4.568 1.00 0.00 N ATOM 0 H ASN A 128 4.714 4.166 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 128 5.846 4.355 -2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.398 3.779 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.155 5.490 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 128 2.310 4.582 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.751 5.201 -4.005 1.00 0.00 H new ATOM 1561 N TRP A 129 5.369 7.072 -1.129 1.00 0.00 N ATOM 1562 CA TRP A 129 5.666 8.493 -1.037 1.00 0.00 C ATOM 1563 C TRP A 129 7.174 8.729 -1.067 1.00 0.00 C ATOM 1564 O TRP A 129 7.644 9.752 -1.570 1.00 0.00 O ATOM 1565 CB TRP A 129 5.063 9.053 0.258 1.00 0.00 C ATOM 1566 CG TRP A 129 5.224 10.534 0.434 1.00 0.00 C ATOM 1567 CD1 TRP A 129 4.342 11.503 0.055 1.00 0.00 C ATOM 1568 CD2 TRP A 129 6.327 11.216 1.051 1.00 0.00 C ATOM 1569 NE1 TRP A 129 4.828 12.742 0.395 1.00 0.00 N ATOM 1570 CE2 TRP A 129 6.043 12.592 1.006 1.00 0.00 C ATOM 1571 CE3 TRP A 129 7.525 10.795 1.636 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 6.913 13.549 1.524 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 8.386 11.744 2.149 1.00 0.00 C ATOM 1574 CH2 TRP A 129 8.075 13.108 2.090 1.00 0.00 C ATOM 0 H TRP A 129 5.029 6.659 -0.260 1.00 0.00 H new ATOM 0 HA TRP A 129 5.227 9.007 -1.892 1.00 0.00 H new ATOM 0 HB2 TRP A 129 4.000 8.811 0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 129 5.525 8.548 1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 129 3.399 11.322 -0.440 1.00 0.00 H new ATOM 0 HE1 TRP A 129 4.359 13.631 0.220 1.00 0.00 H new ATOM 0 HE3 TRP A 129 7.773 9.745 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 6.677 14.602 1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 9.314 11.430 2.603 1.00 0.00 H new ATOM 0 HH2 TRP A 129 8.769 13.827 2.501 1.00 0.00 H new ATOM 1585 N THR A 130 7.936 7.773 -0.547 1.00 0.00 N ATOM 1586 CA THR A 130 9.379 7.924 -0.465 1.00 0.00 C ATOM 1587 C THR A 130 10.043 7.565 -1.792 1.00 0.00 C ATOM 1588 O THR A 130 11.060 8.154 -2.163 1.00 0.00 O ATOM 1589 CB THR A 130 9.979 7.076 0.680 1.00 0.00 C ATOM 1590 OG1 THR A 130 9.641 5.698 0.510 1.00 0.00 O ATOM 1591 CG2 THR A 130 9.471 7.556 2.031 1.00 0.00 C ATOM 0 H THR A 130 7.579 6.891 -0.179 1.00 0.00 H new ATOM 0 HA THR A 130 9.580 8.973 -0.246 1.00 0.00 H new ATOM 0 HB THR A 130 11.063 7.189 0.648 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.014 5.605 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.906 6.945 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.757 8.597 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.385 7.470 2.063 1.00 0.00 H new ATOM 1599 N ILE A 131 9.452 6.617 -2.517 1.00 0.00 N ATOM 1600 CA ILE A 131 9.990 6.202 -3.810 1.00 0.00 C ATOM 1601 C ILE A 131 9.708 7.264 -4.878 1.00 0.00 C ATOM 1602 O ILE A 131 10.365 7.303 -5.920 1.00 0.00 O ATOM 1603 CB ILE A 131 9.427 4.827 -4.257 1.00 0.00 C ATOM 1604 CG1 ILE A 131 10.195 4.285 -5.468 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.948 4.924 -4.584 1.00 0.00 C ATOM 1606 CD1 ILE A 131 11.646 3.968 -5.181 1.00 0.00 C ATOM 0 H ILE A 131 8.605 6.124 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 131 11.068 6.095 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 131 9.555 4.135 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 131 9.700 3.382 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.146 5.017 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 131 7.579 3.946 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.401 5.255 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.800 5.641 -5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.122 3.590 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.158 4.873 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 131 11.705 3.213 -4.397 1.00 0.00 H new ATOM 1618 N GLY A 132 8.728 8.129 -4.621 1.00 0.00 N ATOM 1619 CA GLY A 132 8.499 9.250 -5.513 1.00 0.00 C ATOM 1620 C GLY A 132 7.041 9.631 -5.664 1.00 0.00 C ATOM 1621 O GLY A 132 6.734 10.772 -6.004 1.00 0.00 O ATOM 0 H GLY A 132 8.097 8.074 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.053 10.113 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.904 9.008 -6.496 1.00 0.00 H new ATOM 1625 N PHE A 133 6.139 8.693 -5.409 1.00 0.00 N ATOM 1626 CA PHE A 133 4.709 8.951 -5.562 1.00 0.00 C ATOM 1627 C PHE A 133 4.185 9.822 -4.423 1.00 0.00 C ATOM 1628 O PHE A 133 3.547 9.333 -3.490 1.00 0.00 O ATOM 1629 CB PHE A 133 3.920 7.642 -5.621 1.00 0.00 C ATOM 1630 CG PHE A 133 4.187 6.817 -6.849 1.00 0.00 C ATOM 1631 CD1 PHE A 133 5.260 5.943 -6.895 1.00 0.00 C ATOM 1632 CD2 PHE A 133 3.354 6.908 -7.953 1.00 0.00 C ATOM 1633 CE1 PHE A 133 5.499 5.176 -8.018 1.00 0.00 C ATOM 1634 CE2 PHE A 133 3.590 6.145 -9.080 1.00 0.00 C ATOM 1635 CZ PHE A 133 4.663 5.276 -9.111 1.00 0.00 C ATOM 0 H PHE A 133 6.368 7.750 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 133 4.571 9.485 -6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 133 4.157 7.048 -4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 133 2.855 7.870 -5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 133 5.918 5.860 -6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.511 7.583 -7.932 1.00 0.00 H new ATOM 0 HE1 PHE A 133 6.340 4.498 -8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.936 6.228 -9.936 1.00 0.00 H new ATOM 0 HZ PHE A 133 4.847 4.676 -9.990 1.00 0.00 H new ATOM 1645 N HIS A 134 4.461 11.116 -4.510 1.00 0.00 N ATOM 1646 CA HIS A 134 3.975 12.074 -3.527 1.00 0.00 C ATOM 1647 C HIS A 134 2.487 12.303 -3.743 1.00 0.00 C ATOM 1648 O HIS A 134 1.738 12.598 -2.808 1.00 0.00 O ATOM 1649 CB HIS A 134 4.736 13.398 -3.644 1.00 0.00 C ATOM 1650 CG HIS A 134 6.213 13.268 -3.421 1.00 0.00 C ATOM 1651 ND1 HIS A 134 7.138 13.349 -4.440 1.00 0.00 N ATOM 1652 CD2 HIS A 134 6.923 13.062 -2.289 1.00 0.00 C ATOM 1653 CE1 HIS A 134 8.351 13.195 -3.943 1.00 0.00 C ATOM 1654 NE2 HIS A 134 8.248 13.021 -2.642 1.00 0.00 N ATOM 0 H HIS A 134 5.022 11.528 -5.256 1.00 0.00 H new ATOM 0 HA HIS A 134 4.140 11.674 -2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.563 13.820 -4.634 1.00 0.00 H new ATOM 0 HB3 HIS A 134 4.330 14.105 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 134 6.522 12.950 -1.293 1.00 0.00 H new ATOM 0 HE1 HIS A 134 9.272 13.209 -4.508 1.00 0.00 H new ATOM 0 HE2 HIS A 134 9.028 12.879 -2.000 1.00 0.00 H new ATOM 1663 N HIS A 135 2.075 12.166 -4.995 1.00 0.00 N ATOM 1664 CA HIS A 135 0.677 12.255 -5.373 1.00 0.00 C ATOM 1665 C HIS A 135 0.440 11.484 -6.673 1.00 0.00 C ATOM 1666 O HIS A 135 0.724 11.976 -7.767 1.00 0.00 O ATOM 1667 CB HIS A 135 0.218 13.725 -5.496 1.00 0.00 C ATOM 1668 CG HIS A 135 1.056 14.589 -6.403 1.00 0.00 C ATOM 1669 ND1 HIS A 135 2.159 15.288 -5.969 1.00 0.00 N ATOM 1670 CD2 HIS A 135 0.937 14.869 -7.724 1.00 0.00 C ATOM 1671 CE1 HIS A 135 2.683 15.956 -6.978 1.00 0.00 C ATOM 1672 NE2 HIS A 135 1.962 15.719 -8.057 1.00 0.00 N ATOM 0 H HIS A 135 2.705 11.990 -5.778 1.00 0.00 H new ATOM 0 HA HIS A 135 0.075 11.801 -4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -0.810 13.738 -5.858 1.00 0.00 H new ATOM 0 HB3 HIS A 135 0.212 14.171 -4.501 1.00 0.00 H new ATOM 0 HD2 HIS A 135 0.176 14.493 -8.391 1.00 0.00 H new ATOM 0 HE1 HIS A 135 3.556 16.590 -6.929 1.00 0.00 H new ATOM 0 HE2 HIS A 135 2.137 16.104 -8.985 1.00 0.00 H new ATOM 1681 N HIS A 136 -0.051 10.259 -6.544 1.00 0.00 N ATOM 1682 CA HIS A 136 -0.329 9.421 -7.707 1.00 0.00 C ATOM 1683 C HIS A 136 -1.379 10.077 -8.595 1.00 0.00 C ATOM 1684 O HIS A 136 -2.254 10.795 -8.111 1.00 0.00 O ATOM 1685 CB HIS A 136 -0.781 8.017 -7.287 1.00 0.00 C ATOM 1686 CG HIS A 136 -2.080 7.972 -6.538 1.00 0.00 C ATOM 1687 ND1 HIS A 136 -2.157 7.934 -5.165 1.00 0.00 N ATOM 1688 CD2 HIS A 136 -3.354 7.929 -6.982 1.00 0.00 C ATOM 1689 CE1 HIS A 136 -3.423 7.870 -4.800 1.00 0.00 C ATOM 1690 NE2 HIS A 136 -4.172 7.862 -5.885 1.00 0.00 N ATOM 0 H HIS A 136 -0.265 9.822 -5.648 1.00 0.00 H new ATOM 0 HA HIS A 136 0.596 9.317 -8.275 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -0.871 7.397 -8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -0.004 7.571 -6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -3.671 7.945 -8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -3.785 7.831 -3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 136 -5.191 7.814 -5.904 1.00 0.00 H new ATOM 1699 N HIS A 137 -1.288 9.828 -9.889 1.00 0.00 N ATOM 1700 CA HIS A 137 -2.120 10.525 -10.856 1.00 0.00 C ATOM 1701 C HIS A 137 -2.183 9.761 -12.173 1.00 0.00 C ATOM 1702 O HIS A 137 -1.300 8.961 -12.476 1.00 0.00 O ATOM 1703 CB HIS A 137 -1.557 11.933 -11.094 1.00 0.00 C ATOM 1704 CG HIS A 137 -0.099 11.943 -11.457 1.00 0.00 C ATOM 1705 ND1 HIS A 137 0.912 11.986 -10.519 1.00 0.00 N ATOM 1706 CD2 HIS A 137 0.516 11.894 -12.662 1.00 0.00 C ATOM 1707 CE1 HIS A 137 2.080 11.965 -11.132 1.00 0.00 C ATOM 1708 NE2 HIS A 137 1.866 11.909 -12.432 1.00 0.00 N ATOM 0 H HIS A 137 -0.646 9.148 -10.296 1.00 0.00 H new ATOM 0 HA HIS A 137 -3.132 10.597 -10.457 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -2.125 12.413 -11.891 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -1.703 12.531 -10.194 1.00 0.00 H new ATOM 0 HD1 HIS A 137 0.777 12.028 -9.509 1.00 0.00 H new ATOM 0 HD2 HIS A 137 0.032 11.851 -13.626 1.00 0.00 H new ATOM 0 HE1 HIS A 137 3.047 11.989 -10.651 1.00 0.00 H new ATOM 1717 N HIS A 138 -3.233 10.009 -12.944 1.00 0.00 N ATOM 1718 CA HIS A 138 -3.351 9.456 -14.288 1.00 0.00 C ATOM 1719 C HIS A 138 -3.497 10.585 -15.303 1.00 0.00 C ATOM 1720 O HIS A 138 -4.085 10.412 -16.370 1.00 0.00 O ATOM 1721 CB HIS A 138 -4.536 8.490 -14.394 1.00 0.00 C ATOM 1722 CG HIS A 138 -4.299 7.157 -13.747 1.00 0.00 C ATOM 1723 ND1 HIS A 138 -5.087 6.661 -12.731 1.00 0.00 N ATOM 1724 CD2 HIS A 138 -3.367 6.204 -13.995 1.00 0.00 C ATOM 1725 CE1 HIS A 138 -4.651 5.464 -12.381 1.00 0.00 C ATOM 1726 NE2 HIS A 138 -3.609 5.161 -13.133 1.00 0.00 N ATOM 0 H HIS A 138 -4.020 10.593 -12.660 1.00 0.00 H new ATOM 0 HA HIS A 138 -2.443 8.892 -14.504 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.411 8.953 -13.937 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -4.771 8.334 -15.447 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -2.580 6.255 -14.733 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -5.076 4.839 -11.610 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -3.072 4.295 -13.083 1.00 0.00 H new ATOM 1735 N HIS A 139 -2.966 11.748 -14.950 1.00 0.00 N ATOM 1736 CA HIS A 139 -2.977 12.907 -15.836 1.00 0.00 C ATOM 1737 C HIS A 139 -1.574 13.481 -15.963 1.00 0.00 C ATOM 1738 O HIS A 139 -0.805 13.475 -14.998 1.00 0.00 O ATOM 1739 CB HIS A 139 -3.931 13.988 -15.320 1.00 0.00 C ATOM 1740 CG HIS A 139 -5.382 13.664 -15.495 1.00 0.00 C ATOM 1741 ND1 HIS A 139 -6.194 13.264 -14.457 1.00 0.00 N ATOM 1742 CD2 HIS A 139 -6.172 13.701 -16.593 1.00 0.00 C ATOM 1743 CE1 HIS A 139 -7.416 13.066 -14.909 1.00 0.00 C ATOM 1744 NE2 HIS A 139 -7.431 13.324 -16.201 1.00 0.00 N ATOM 0 H HIS A 139 -2.518 11.915 -14.049 1.00 0.00 H new ATOM 0 HA HIS A 139 -3.326 12.579 -16.815 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -3.733 14.155 -14.261 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -3.715 14.923 -15.836 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -5.868 13.976 -17.592 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -8.263 12.746 -14.320 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -8.246 13.255 -16.810 1.00 0.00 H new ATOM 1753 N LYS A 140 -1.243 13.970 -17.147 1.00 0.00 N ATOM 1754 CA LYS A 140 0.069 14.545 -17.393 1.00 0.00 C ATOM 1755 C LYS A 140 -0.074 15.826 -18.202 1.00 0.00 C ATOM 1756 O LYS A 140 -0.142 15.746 -19.445 1.00 0.00 O ATOM 1757 CB LYS A 140 0.961 13.537 -18.126 1.00 0.00 C ATOM 1758 CG LYS A 140 2.398 14.000 -18.317 1.00 0.00 C ATOM 1759 CD LYS A 140 3.249 12.908 -18.945 1.00 0.00 C ATOM 1760 CE LYS A 140 4.717 13.299 -19.017 1.00 0.00 C ATOM 1761 NZ LYS A 140 5.566 12.175 -19.499 1.00 0.00 N ATOM 1762 OXT LYS A 140 -0.151 16.909 -17.588 1.00 0.00 O ATOM 0 H LYS A 140 -1.866 13.980 -17.954 1.00 0.00 H new ATOM 0 HA LYS A 140 0.539 14.785 -16.439 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.964 12.600 -17.570 1.00 0.00 H new ATOM 0 HB3 LYS A 140 0.526 13.327 -19.103 1.00 0.00 H new ATOM 0 HG2 LYS A 140 2.416 14.887 -18.950 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.822 14.286 -17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 140 3.146 11.990 -18.366 1.00 0.00 H new ATOM 0 HD3 LYS A 140 2.881 12.694 -19.949 1.00 0.00 H new ATOM 0 HE2 LYS A 140 4.833 14.154 -19.683 1.00 0.00 H new ATOM 0 HE3 LYS A 140 5.058 13.615 -18.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 6.559 12.481 -19.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 5.475 11.368 -18.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 5.257 11.890 -20.450 1.00 0.00 H new TER 1776 LYS A 140 HETATM 1777 CA CA A 201 12.529 -1.062 7.260 1.00 0.00 CA