USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -115:sc= 0.321 USER MOD Set 1.2: A 105 HEM CMB :methyl 150:sc= -0.0634 (180deg=-0.0634) USER MOD Set 2.1: A 53 GLN : amide:sc= -12.5! C(o=-30!,f=-39!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -17.2! (180deg=-11.9!) USER MOD Set 3.1: A 25 THR OG1 : rot -25:sc= -1.46! USER MOD Set 3.2: A 37 THR OG1 : rot -111:sc= -0.387 USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 32 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.00834) USER MOD Set 5.1: A 30 HIS : no HD1:sc= -5.14! C(o=-6!,f=-11!) USER MOD Set 5.2: A 34 TYR OH : rot 75:sc= -2.56! USER MOD Set 5.3: A 59 THR OG1 : rot -38:sc= 1.71 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 17 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-4.2!) USER MOD Single : A 20 ASN : amide:sc= -6.01! C(o=-6!,f=-5.1!) USER MOD Single : A 21 ASN : amide:sc=-0.00425 X(o=-0.0043,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 34:sc= 0.432 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -5.79! C(o=-5.8!,f=-6.6!) USER MOD Single : A 68 SER OG : rot -99:sc= -0.21 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -105:sc= 0.179 USER MOD Single : A 84 HIS : no HD1:sc= -14.2! C(o=-14!,f=-13!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00524 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -2.38 (180deg=-2.38) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.215) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 30.205 3.337 -35.525 1.00 0.00 N ATOM 2 CA ALA A 1 31.352 2.957 -34.721 1.00 0.00 C ATOM 3 C ALA A 1 30.913 1.941 -33.663 1.00 0.00 C ATOM 4 O ALA A 1 31.446 0.834 -33.602 1.00 0.00 O ATOM 5 CB ALA A 1 31.980 4.208 -34.101 1.00 0.00 C ATOM 0 H1 ALA A 1 30.499 4.027 -36.245 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.814 2.494 -35.993 1.00 0.00 H new ATOM 0 H3 ALA A 1 29.479 3.762 -34.914 1.00 0.00 H new ATOM 0 HA ALA A 1 32.114 2.483 -35.340 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.841 3.922 -33.497 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.301 4.885 -34.893 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.246 4.709 -33.471 1.00 0.00 H new ATOM 11 N GLU A 2 29.948 2.355 -32.856 1.00 0.00 N ATOM 12 CA GLU A 2 29.431 1.494 -31.804 1.00 0.00 C ATOM 13 C GLU A 2 27.956 1.177 -32.054 1.00 0.00 C ATOM 14 O GLU A 2 27.281 1.890 -32.796 1.00 0.00 O ATOM 15 CB GLU A 2 29.630 2.132 -30.428 1.00 0.00 C ATOM 16 CG GLU A 2 30.367 1.179 -29.484 1.00 0.00 C ATOM 17 CD GLU A 2 30.082 1.529 -28.021 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.927 1.310 -27.599 1.00 0.00 O ATOM 19 OE2 GLU A 2 31.028 2.008 -27.358 1.00 0.00 O ATOM 0 H GLU A 2 29.510 3.275 -32.908 1.00 0.00 H new ATOM 0 HA GLU A 2 29.990 0.558 -31.819 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.196 3.058 -30.531 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.662 2.396 -30.002 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.058 0.153 -29.683 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.439 1.232 -29.672 1.00 0.00 H new ATOM 26 N GLU A 3 27.498 0.107 -31.422 1.00 0.00 N ATOM 27 CA GLU A 3 26.115 -0.313 -31.566 1.00 0.00 C ATOM 28 C GLU A 3 25.399 -0.260 -30.214 1.00 0.00 C ATOM 29 O GLU A 3 26.020 0.023 -29.190 1.00 0.00 O ATOM 30 CB GLU A 3 26.027 -1.712 -32.179 1.00 0.00 C ATOM 31 CG GLU A 3 26.616 -2.761 -31.233 1.00 0.00 C ATOM 32 CD GLU A 3 25.848 -4.082 -31.332 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.929 -4.705 -32.412 1.00 0.00 O ATOM 34 OE2 GLU A 3 25.197 -4.437 -30.325 1.00 0.00 O ATOM 0 H GLU A 3 28.061 -0.482 -30.808 1.00 0.00 H new ATOM 0 HA GLU A 3 25.616 0.377 -32.246 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.986 -1.954 -32.394 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.562 -1.732 -33.129 1.00 0.00 H new ATOM 0 HG2 GLU A 3 27.665 -2.927 -31.477 1.00 0.00 H new ATOM 0 HG3 GLU A 3 26.581 -2.392 -30.208 1.00 0.00 H new ATOM 41 N SER A 4 24.104 -0.536 -30.255 1.00 0.00 N ATOM 42 CA SER A 4 23.298 -0.523 -29.046 1.00 0.00 C ATOM 43 C SER A 4 21.881 -1.006 -29.358 1.00 0.00 C ATOM 44 O SER A 4 21.517 -1.165 -30.522 1.00 0.00 O ATOM 45 CB SER A 4 23.259 0.874 -28.425 1.00 0.00 C ATOM 46 OG SER A 4 23.180 0.825 -27.003 1.00 0.00 O ATOM 0 H SER A 4 23.593 -0.770 -31.106 1.00 0.00 H new ATOM 0 HA SER A 4 23.754 -1.199 -28.323 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.151 1.426 -28.720 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.402 1.421 -28.817 1.00 0.00 H new ATOM 0 HG SER A 4 23.159 1.737 -26.645 1.00 0.00 H new ATOM 52 N SER A 5 21.118 -1.224 -28.296 1.00 0.00 N ATOM 53 CA SER A 5 19.747 -1.685 -28.442 1.00 0.00 C ATOM 54 C SER A 5 18.932 -1.303 -27.204 1.00 0.00 C ATOM 55 O SER A 5 19.481 -0.791 -26.229 1.00 0.00 O ATOM 56 CB SER A 5 19.697 -3.199 -28.665 1.00 0.00 C ATOM 57 OG SER A 5 19.035 -3.537 -29.881 1.00 0.00 O ATOM 0 H SER A 5 21.423 -1.090 -27.332 1.00 0.00 H new ATOM 0 HA SER A 5 19.314 -1.201 -29.317 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.712 -3.597 -28.682 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.183 -3.672 -27.828 1.00 0.00 H new ATOM 0 HG SER A 5 19.025 -4.511 -29.988 1.00 0.00 H new ATOM 63 N LYS A 6 17.636 -1.567 -27.284 1.00 0.00 N ATOM 64 CA LYS A 6 16.742 -1.257 -26.183 1.00 0.00 C ATOM 65 C LYS A 6 15.375 -1.891 -26.449 1.00 0.00 C ATOM 66 O LYS A 6 14.766 -1.648 -27.491 1.00 0.00 O ATOM 67 CB LYS A 6 16.683 0.253 -25.947 1.00 0.00 C ATOM 68 CG LYS A 6 17.351 0.628 -24.623 1.00 0.00 C ATOM 69 CD LYS A 6 17.018 2.069 -24.229 1.00 0.00 C ATOM 70 CE LYS A 6 17.953 2.566 -23.125 1.00 0.00 C ATOM 71 NZ LYS A 6 18.148 4.029 -23.231 1.00 0.00 N ATOM 0 H LYS A 6 17.185 -1.992 -28.094 1.00 0.00 H new ATOM 0 HA LYS A 6 17.119 -1.686 -25.255 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.178 0.772 -26.768 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.644 0.583 -25.941 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.020 -0.053 -23.839 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.431 0.512 -24.711 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.103 2.717 -25.101 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.984 2.127 -23.888 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.536 2.318 -22.149 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.915 2.059 -23.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.785 4.350 -22.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.566 4.257 -24.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.230 4.509 -23.138 1.00 0.00 H new ATOM 85 N ALA A 7 14.930 -2.689 -25.489 1.00 0.00 N ATOM 86 CA ALA A 7 13.647 -3.359 -25.606 1.00 0.00 C ATOM 87 C ALA A 7 13.316 -4.054 -24.285 1.00 0.00 C ATOM 88 O ALA A 7 13.649 -5.224 -24.094 1.00 0.00 O ATOM 89 CB ALA A 7 13.687 -4.334 -26.785 1.00 0.00 C ATOM 0 H ALA A 7 15.436 -2.886 -24.626 1.00 0.00 H new ATOM 0 HA ALA A 7 12.854 -2.638 -25.805 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.724 -4.837 -26.874 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.896 -3.786 -27.704 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.470 -5.074 -26.619 1.00 0.00 H new ATOM 95 N VAL A 8 12.665 -3.307 -23.406 1.00 0.00 N ATOM 96 CA VAL A 8 12.286 -3.837 -22.106 1.00 0.00 C ATOM 97 C VAL A 8 11.811 -5.282 -22.270 1.00 0.00 C ATOM 98 O VAL A 8 12.487 -6.214 -21.837 1.00 0.00 O ATOM 99 CB VAL A 8 11.237 -2.932 -21.459 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.352 -2.273 -22.518 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.392 -3.710 -20.447 1.00 0.00 C ATOM 0 H VAL A 8 12.390 -2.338 -23.568 1.00 0.00 H new ATOM 0 HA VAL A 8 13.143 -3.851 -21.433 1.00 0.00 H new ATOM 0 HB VAL A 8 11.762 -2.142 -20.922 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.615 -1.635 -22.030 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.969 -1.671 -23.184 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.840 -3.043 -23.095 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.654 -3.044 -20.001 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.882 -4.530 -20.953 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.038 -4.111 -19.666 1.00 0.00 H new ATOM 111 N LYS A 9 10.652 -5.423 -22.897 1.00 0.00 N ATOM 112 CA LYS A 9 10.078 -6.740 -23.123 1.00 0.00 C ATOM 113 C LYS A 9 9.504 -7.273 -21.808 1.00 0.00 C ATOM 114 O LYS A 9 8.311 -7.562 -21.721 1.00 0.00 O ATOM 115 CB LYS A 9 11.110 -7.670 -23.764 1.00 0.00 C ATOM 116 CG LYS A 9 10.720 -8.010 -25.204 1.00 0.00 C ATOM 117 CD LYS A 9 11.222 -9.401 -25.594 1.00 0.00 C ATOM 118 CE LYS A 9 11.565 -9.463 -27.084 1.00 0.00 C ATOM 119 NZ LYS A 9 12.472 -10.599 -27.360 1.00 0.00 N ATOM 0 H LYS A 9 10.095 -4.648 -23.256 1.00 0.00 H new ATOM 0 HA LYS A 9 9.252 -6.680 -23.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.091 -7.195 -23.751 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.192 -8.586 -23.179 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.636 -7.968 -25.311 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.136 -7.266 -25.883 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.103 -9.652 -25.004 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.460 -10.145 -25.361 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.652 -9.569 -27.669 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.036 -8.530 -27.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.695 -10.627 -28.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.351 -10.482 -26.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.009 -11.488 -27.083 1.00 0.00 H new ATOM 133 N TYR A 10 10.377 -7.385 -20.819 1.00 0.00 N ATOM 134 CA TYR A 10 9.971 -7.879 -19.514 1.00 0.00 C ATOM 135 C TYR A 10 10.581 -7.034 -18.394 1.00 0.00 C ATOM 136 O TYR A 10 11.793 -6.826 -18.358 1.00 0.00 O ATOM 137 CB TYR A 10 10.515 -9.306 -19.414 1.00 0.00 C ATOM 138 CG TYR A 10 11.458 -9.693 -20.554 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.779 -9.294 -20.524 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.989 -10.443 -21.614 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.667 -9.659 -21.596 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.878 -10.807 -22.687 1.00 0.00 C ATOM 143 CZ TYR A 10 13.172 -10.397 -22.626 1.00 0.00 C ATOM 144 OH TYR A 10 14.011 -10.742 -23.639 1.00 0.00 O ATOM 0 H TYR A 10 11.365 -7.142 -20.895 1.00 0.00 H new ATOM 0 HA TYR A 10 8.887 -7.837 -19.409 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.042 -9.417 -18.466 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.677 -10.003 -19.397 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.147 -8.707 -19.695 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.956 -10.757 -21.639 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.703 -9.354 -21.583 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.524 -11.393 -23.522 1.00 0.00 H new ATOM 0 HH TYR A 10 13.521 -11.269 -24.304 1.00 0.00 H new ATOM 154 N TYR A 11 9.713 -6.569 -17.508 1.00 0.00 N ATOM 155 CA TYR A 11 10.151 -5.750 -16.389 1.00 0.00 C ATOM 156 C TYR A 11 9.605 -6.291 -15.067 1.00 0.00 C ATOM 157 O TYR A 11 8.726 -7.152 -15.060 1.00 0.00 O ATOM 158 CB TYR A 11 9.572 -4.356 -16.635 1.00 0.00 C ATOM 159 CG TYR A 11 10.585 -3.349 -17.183 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.911 -3.429 -16.809 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.173 -2.358 -18.051 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.863 -2.482 -17.324 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.126 -1.410 -18.566 1.00 0.00 C ATOM 164 CZ TYR A 11 12.424 -1.518 -18.178 1.00 0.00 C ATOM 165 OH TYR A 11 13.325 -0.622 -18.664 1.00 0.00 O ATOM 0 H TYR A 11 8.709 -6.743 -17.542 1.00 0.00 H new ATOM 0 HA TYR A 11 11.239 -5.744 -16.320 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.741 -4.437 -17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.164 -3.973 -15.700 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.234 -4.203 -16.129 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.135 -2.294 -18.344 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.903 -2.535 -17.039 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.816 -0.630 -19.246 1.00 0.00 H new ATOM 0 HH TYR A 11 12.871 0.007 -19.262 1.00 0.00 H new ATOM 175 N THR A 12 10.147 -5.763 -13.979 1.00 0.00 N ATOM 176 CA THR A 12 9.725 -6.182 -12.654 1.00 0.00 C ATOM 177 C THR A 12 8.876 -5.092 -11.996 1.00 0.00 C ATOM 178 O THR A 12 9.040 -3.910 -12.291 1.00 0.00 O ATOM 179 CB THR A 12 10.975 -6.545 -11.852 1.00 0.00 C ATOM 180 OG1 THR A 12 11.635 -5.299 -11.653 1.00 0.00 O ATOM 181 CG2 THR A 12 11.974 -7.370 -12.667 1.00 0.00 C ATOM 0 H THR A 12 10.875 -5.049 -13.989 1.00 0.00 H new ATOM 0 HA THR A 12 9.086 -7.064 -12.703 1.00 0.00 H new ATOM 0 HB THR A 12 10.685 -7.102 -10.961 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.457 -5.443 -11.139 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.843 -7.601 -12.051 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.502 -8.298 -12.990 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.290 -6.800 -13.541 1.00 0.00 H new ATOM 189 N LEU A 13 7.988 -5.531 -11.115 1.00 0.00 N ATOM 190 CA LEU A 13 7.114 -4.607 -10.412 1.00 0.00 C ATOM 191 C LEU A 13 7.948 -3.467 -9.826 1.00 0.00 C ATOM 192 O LEU A 13 7.527 -2.311 -9.845 1.00 0.00 O ATOM 193 CB LEU A 13 6.273 -5.351 -9.372 1.00 0.00 C ATOM 194 CG LEU A 13 4.815 -5.615 -9.753 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.128 -6.501 -8.711 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.061 -4.304 -9.977 1.00 0.00 C ATOM 0 H LEU A 13 7.855 -6.513 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 13 6.401 -4.158 -11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.752 -6.308 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.288 -4.778 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 13 4.802 -6.159 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.093 -6.673 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.650 -7.456 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.151 -6.006 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.027 -4.520 -10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.081 -3.712 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.536 -3.744 -10.782 1.00 0.00 H new ATOM 208 N GLU A 14 9.117 -3.831 -9.319 1.00 0.00 N ATOM 209 CA GLU A 14 10.015 -2.852 -8.729 1.00 0.00 C ATOM 210 C GLU A 14 10.484 -1.855 -9.789 1.00 0.00 C ATOM 211 O GLU A 14 10.493 -0.648 -9.550 1.00 0.00 O ATOM 212 CB GLU A 14 11.207 -3.538 -8.057 1.00 0.00 C ATOM 213 CG GLU A 14 11.356 -3.077 -6.605 1.00 0.00 C ATOM 214 CD GLU A 14 10.269 -3.692 -5.720 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.134 -3.170 -5.770 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.599 -4.669 -5.013 1.00 0.00 O ATOM 0 H GLU A 14 9.463 -4.790 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 14 9.470 -2.305 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.074 -4.619 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.120 -3.314 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.339 -3.360 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.297 -1.990 -6.557 1.00 0.00 H new ATOM 223 N GLU A 15 10.861 -2.394 -10.939 1.00 0.00 N ATOM 224 CA GLU A 15 11.330 -1.567 -12.037 1.00 0.00 C ATOM 225 C GLU A 15 10.266 -0.533 -12.413 1.00 0.00 C ATOM 226 O GLU A 15 10.576 0.643 -12.601 1.00 0.00 O ATOM 227 CB GLU A 15 11.713 -2.423 -13.245 1.00 0.00 C ATOM 228 CG GLU A 15 12.215 -1.550 -14.398 1.00 0.00 C ATOM 229 CD GLU A 15 13.661 -1.899 -14.760 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.038 -3.067 -14.525 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.354 -0.989 -15.264 1.00 0.00 O ATOM 0 H GLU A 15 10.851 -3.395 -11.134 1.00 0.00 H new ATOM 0 HA GLU A 15 12.225 -1.038 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.487 -3.136 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.850 -3.003 -13.572 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.575 -1.688 -15.269 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.150 -0.499 -14.118 1.00 0.00 H new ATOM 238 N ILE A 16 9.034 -1.009 -12.513 1.00 0.00 N ATOM 239 CA ILE A 16 7.923 -0.141 -12.864 1.00 0.00 C ATOM 240 C ILE A 16 7.630 0.803 -11.697 1.00 0.00 C ATOM 241 O ILE A 16 7.224 1.946 -11.903 1.00 0.00 O ATOM 242 CB ILE A 16 6.713 -0.969 -13.304 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.133 -2.085 -14.263 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.625 -0.076 -13.904 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.587 -3.438 -13.801 1.00 0.00 C ATOM 0 H ILE A 16 8.780 -1.985 -12.357 1.00 0.00 H new ATOM 0 HA ILE A 16 8.183 0.481 -13.720 1.00 0.00 H new ATOM 0 HB ILE A 16 6.286 -1.446 -12.422 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.768 -1.864 -15.266 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.221 -2.129 -14.322 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.777 -0.690 -14.208 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.299 0.650 -13.159 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.023 0.449 -14.773 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.900 -4.214 -14.500 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.974 -3.666 -12.808 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.498 -3.398 -13.766 1.00 0.00 H new ATOM 257 N GLN A 17 7.846 0.291 -10.494 1.00 0.00 N ATOM 258 CA GLN A 17 7.611 1.074 -9.293 1.00 0.00 C ATOM 259 C GLN A 17 8.514 2.308 -9.279 1.00 0.00 C ATOM 260 O GLN A 17 8.089 3.389 -8.874 1.00 0.00 O ATOM 261 CB GLN A 17 7.819 0.226 -8.036 1.00 0.00 C ATOM 262 CG GLN A 17 6.822 0.615 -6.942 1.00 0.00 C ATOM 263 CD GLN A 17 7.503 1.436 -5.846 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.682 1.295 -5.570 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.696 2.301 -5.239 1.00 0.00 N ATOM 0 H GLN A 17 8.182 -0.657 -10.325 1.00 0.00 H new ATOM 0 HA GLN A 17 6.573 1.408 -9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.702 -0.830 -8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.837 0.357 -7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.005 1.190 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.383 -0.284 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.718 2.369 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.055 2.897 -4.493 1.00 0.00 H new ATOM 274 N LYS A 18 9.747 2.104 -9.722 1.00 0.00 N ATOM 275 CA LYS A 18 10.713 3.187 -9.765 1.00 0.00 C ATOM 276 C LYS A 18 10.262 4.230 -10.790 1.00 0.00 C ATOM 277 O LYS A 18 10.510 5.422 -10.618 1.00 0.00 O ATOM 278 CB LYS A 18 12.120 2.639 -10.024 1.00 0.00 C ATOM 279 CG LYS A 18 12.553 1.689 -8.907 1.00 0.00 C ATOM 280 CD LYS A 18 14.020 1.288 -9.065 1.00 0.00 C ATOM 281 CE LYS A 18 14.889 1.960 -8.001 1.00 0.00 C ATOM 282 NZ LYS A 18 16.285 1.478 -8.091 1.00 0.00 N ATOM 0 H LYS A 18 10.098 1.205 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 18 10.763 3.691 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.140 2.115 -10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.828 3.465 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.406 2.169 -7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.926 0.798 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.115 0.205 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.372 1.568 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.863 3.042 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.488 1.749 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.861 1.944 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.307 0.449 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.670 1.702 -9.031 1.00 0.00 H new ATOM 296 N HIS A 19 9.607 3.743 -11.833 1.00 0.00 N ATOM 297 CA HIS A 19 9.117 4.617 -12.885 1.00 0.00 C ATOM 298 C HIS A 19 7.666 5.002 -12.598 1.00 0.00 C ATOM 299 O HIS A 19 6.740 4.345 -13.072 1.00 0.00 O ATOM 300 CB HIS A 19 9.300 3.968 -14.259 1.00 0.00 C ATOM 301 CG HIS A 19 10.740 3.839 -14.692 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.300 4.629 -15.681 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.730 3.005 -14.261 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.569 4.277 -15.830 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.832 3.270 -14.949 1.00 0.00 N ATOM 0 H HIS A 19 9.404 2.753 -11.972 1.00 0.00 H new ATOM 0 HA HIS A 19 9.702 5.536 -12.902 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.846 2.977 -14.244 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.760 4.555 -15.001 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.632 2.255 -13.490 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.271 4.711 -16.526 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.729 2.798 -14.838 1.00 0.00 H new ATOM 314 N ASN A 20 7.511 6.066 -11.824 1.00 0.00 N ATOM 315 CA ASN A 20 6.186 6.548 -11.469 1.00 0.00 C ATOM 316 C ASN A 20 6.152 8.072 -11.590 1.00 0.00 C ATOM 317 O ASN A 20 5.212 8.714 -11.126 1.00 0.00 O ATOM 318 CB ASN A 20 5.837 6.180 -10.025 1.00 0.00 C ATOM 319 CG ASN A 20 4.849 7.186 -9.428 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.154 7.915 -8.497 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.655 7.183 -10.012 1.00 0.00 N ATOM 0 H ASN A 20 8.281 6.608 -11.432 1.00 0.00 H new ATOM 0 HA ASN A 20 5.466 6.086 -12.144 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.406 5.179 -9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.745 6.155 -9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.926 7.817 -9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.468 6.546 -10.787 1.00 0.00 H new ATOM 328 N ASN A 21 7.191 8.606 -12.216 1.00 0.00 N ATOM 329 CA ASN A 21 7.291 10.044 -12.404 1.00 0.00 C ATOM 330 C ASN A 21 6.977 10.386 -13.863 1.00 0.00 C ATOM 331 O ASN A 21 7.107 9.539 -14.745 1.00 0.00 O ATOM 332 CB ASN A 21 8.704 10.542 -12.095 1.00 0.00 C ATOM 333 CG ASN A 21 9.182 10.025 -10.737 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.728 10.450 -9.687 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.122 9.086 -10.816 1.00 0.00 N ATOM 0 H ASN A 21 7.970 8.070 -12.599 1.00 0.00 H new ATOM 0 HA ASN A 21 6.584 10.523 -11.727 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.389 10.211 -12.876 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.718 11.632 -12.099 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.507 8.677 -9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.458 8.776 -11.728 1.00 0.00 H new ATOM 342 N SER A 22 6.573 11.631 -14.072 1.00 0.00 N ATOM 343 CA SER A 22 6.240 12.094 -15.407 1.00 0.00 C ATOM 344 C SER A 22 7.450 11.942 -16.330 1.00 0.00 C ATOM 345 O SER A 22 7.327 12.071 -17.548 1.00 0.00 O ATOM 346 CB SER A 22 5.771 13.551 -15.383 1.00 0.00 C ATOM 347 OG SER A 22 6.834 14.449 -15.073 1.00 0.00 O ATOM 0 H SER A 22 6.469 12.332 -13.339 1.00 0.00 H new ATOM 0 HA SER A 22 5.422 11.483 -15.787 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.347 13.812 -16.353 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.975 13.664 -14.647 1.00 0.00 H new ATOM 0 HG SER A 22 6.495 15.368 -15.069 1.00 0.00 H new ATOM 353 N LYS A 23 8.592 11.669 -15.717 1.00 0.00 N ATOM 354 CA LYS A 23 9.824 11.497 -16.469 1.00 0.00 C ATOM 355 C LYS A 23 9.702 10.260 -17.361 1.00 0.00 C ATOM 356 O LYS A 23 10.136 10.277 -18.512 1.00 0.00 O ATOM 357 CB LYS A 23 11.027 11.458 -15.525 1.00 0.00 C ATOM 358 CG LYS A 23 12.330 11.702 -16.287 1.00 0.00 C ATOM 359 CD LYS A 23 13.361 12.406 -15.403 1.00 0.00 C ATOM 360 CE LYS A 23 14.012 13.575 -16.145 1.00 0.00 C ATOM 361 NZ LYS A 23 15.312 13.166 -16.719 1.00 0.00 N ATOM 0 H LYS A 23 8.691 11.563 -14.707 1.00 0.00 H new ATOM 0 HA LYS A 23 9.992 12.350 -17.126 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.909 12.214 -14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.070 10.491 -15.025 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.734 10.752 -16.636 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.130 12.308 -17.171 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.879 12.770 -14.495 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.127 11.695 -15.094 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.351 13.923 -16.939 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.157 14.412 -15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.740 13.972 -17.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.946 12.856 -15.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.165 12.382 -17.387 1.00 0.00 H new ATOM 375 N SER A 24 9.111 9.219 -16.797 1.00 0.00 N ATOM 376 CA SER A 24 8.928 7.975 -17.527 1.00 0.00 C ATOM 377 C SER A 24 7.786 7.169 -16.908 1.00 0.00 C ATOM 378 O SER A 24 7.920 5.967 -16.682 1.00 0.00 O ATOM 379 CB SER A 24 10.215 7.149 -17.540 1.00 0.00 C ATOM 380 OG SER A 24 11.055 7.486 -18.640 1.00 0.00 O ATOM 0 H SER A 24 8.752 9.210 -15.842 1.00 0.00 H new ATOM 0 HA SER A 24 8.675 8.218 -18.559 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.757 7.308 -16.608 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.965 6.089 -17.586 1.00 0.00 H new ATOM 0 HG SER A 24 10.966 8.442 -18.839 1.00 0.00 H new ATOM 386 N THR A 25 6.685 7.861 -16.651 1.00 0.00 N ATOM 387 CA THR A 25 5.520 7.224 -16.063 1.00 0.00 C ATOM 388 C THR A 25 5.293 5.846 -16.688 1.00 0.00 C ATOM 389 O THR A 25 4.814 5.742 -17.815 1.00 0.00 O ATOM 390 CB THR A 25 4.328 8.169 -16.230 1.00 0.00 C ATOM 391 OG1 THR A 25 4.807 9.420 -15.742 1.00 0.00 O ATOM 392 CG2 THR A 25 3.169 7.822 -15.293 1.00 0.00 C ATOM 0 H THR A 25 6.576 8.857 -16.840 1.00 0.00 H new ATOM 0 HA THR A 25 5.664 7.044 -14.998 1.00 0.00 H new ATOM 0 HB THR A 25 3.981 8.137 -17.263 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.533 9.265 -15.102 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.350 8.523 -15.453 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.825 6.809 -15.500 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.506 7.887 -14.258 1.00 0.00 H new ATOM 400 N TRP A 26 5.650 4.821 -15.925 1.00 0.00 N ATOM 401 CA TRP A 26 5.491 3.453 -16.390 1.00 0.00 C ATOM 402 C TRP A 26 4.483 2.757 -15.475 1.00 0.00 C ATOM 403 O TRP A 26 4.405 3.060 -14.286 1.00 0.00 O ATOM 404 CB TRP A 26 6.841 2.735 -16.448 1.00 0.00 C ATOM 405 CG TRP A 26 7.717 3.150 -17.631 1.00 0.00 C ATOM 406 CD1 TRP A 26 8.872 3.827 -17.604 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.458 2.885 -19.027 1.00 0.00 C ATOM 408 NE1 TRP A 26 9.378 4.018 -18.875 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.490 3.427 -19.767 1.00 0.00 C ATOM 410 CE3 TRP A 26 6.391 2.210 -19.643 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.553 3.350 -21.163 1.00 0.00 C ATOM 412 CZ3 TRP A 26 6.468 2.142 -21.038 1.00 0.00 C ATOM 413 CH2 TRP A 26 7.500 2.683 -21.798 1.00 0.00 C ATOM 0 H TRP A 26 6.048 4.911 -14.990 1.00 0.00 H new ATOM 0 HA TRP A 26 5.106 3.434 -17.410 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.383 2.928 -15.522 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.667 1.660 -16.497 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.348 4.180 -16.701 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.243 4.503 -19.115 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.575 1.777 -19.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.371 3.782 -21.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.671 1.634 -21.561 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.488 2.588 -22.874 1.00 0.00 H new ATOM 424 N LEU A 27 3.732 1.838 -16.066 1.00 0.00 N ATOM 425 CA LEU A 27 2.730 1.097 -15.318 1.00 0.00 C ATOM 426 C LEU A 27 2.536 -0.279 -15.960 1.00 0.00 C ATOM 427 O LEU A 27 3.146 -0.581 -16.985 1.00 0.00 O ATOM 428 CB LEU A 27 1.439 1.909 -15.202 1.00 0.00 C ATOM 429 CG LEU A 27 0.492 1.841 -16.402 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.272 1.901 -17.717 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.405 0.605 -16.323 1.00 0.00 C ATOM 0 H LEU A 27 3.797 1.590 -17.053 1.00 0.00 H new ATOM 0 HA LEU A 27 3.066 0.928 -14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.898 1.570 -14.318 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.704 2.953 -15.032 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.161 2.713 -16.374 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.577 1.851 -18.555 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.832 2.835 -17.765 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.963 1.060 -17.769 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.068 0.581 -17.188 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.213 -0.293 -16.314 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.000 0.645 -15.411 1.00 0.00 H new ATOM 443 N ILE A 28 1.684 -1.075 -15.332 1.00 0.00 N ATOM 444 CA ILE A 28 1.401 -2.410 -15.830 1.00 0.00 C ATOM 445 C ILE A 28 -0.108 -2.567 -16.029 1.00 0.00 C ATOM 446 O ILE A 28 -0.890 -2.297 -15.119 1.00 0.00 O ATOM 447 CB ILE A 28 2.011 -3.466 -14.905 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.180 -2.886 -14.107 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.417 -4.714 -15.692 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.341 -3.607 -12.767 1.00 0.00 C ATOM 0 H ILE A 28 1.180 -0.821 -14.482 1.00 0.00 H new ATOM 0 HA ILE A 28 1.869 -2.561 -16.803 1.00 0.00 H new ATOM 0 HB ILE A 28 1.251 -3.771 -14.186 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.100 -2.976 -14.685 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.015 -1.823 -13.934 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.848 -5.449 -15.012 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.539 -5.140 -16.177 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.154 -4.444 -16.448 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.179 -3.175 -12.220 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.429 -3.495 -12.181 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.530 -4.666 -12.944 1.00 0.00 H new ATOM 462 N LEU A 29 -0.471 -3.002 -17.227 1.00 0.00 N ATOM 463 CA LEU A 29 -1.873 -3.197 -17.559 1.00 0.00 C ATOM 464 C LEU A 29 -2.097 -4.652 -17.973 1.00 0.00 C ATOM 465 O LEU A 29 -1.454 -5.143 -18.899 1.00 0.00 O ATOM 466 CB LEU A 29 -2.320 -2.181 -18.612 1.00 0.00 C ATOM 467 CG LEU A 29 -3.415 -1.204 -18.179 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.207 -0.698 -19.386 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.323 -1.831 -17.118 1.00 0.00 C ATOM 0 H LEU A 29 0.181 -3.225 -17.979 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.501 -3.014 -16.687 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.449 -1.605 -18.925 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.673 -2.726 -19.488 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.938 -0.338 -17.721 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.979 -0.005 -19.050 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.534 -0.186 -20.074 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.673 -1.542 -19.895 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.092 -1.115 -16.828 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.795 -2.725 -17.525 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.730 -2.100 -16.244 1.00 0.00 H new ATOM 481 N HIS A 30 -3.008 -5.302 -17.266 1.00 0.00 N ATOM 482 CA HIS A 30 -3.325 -6.692 -17.549 1.00 0.00 C ATOM 483 C HIS A 30 -2.124 -7.572 -17.198 1.00 0.00 C ATOM 484 O HIS A 30 -2.231 -8.469 -16.361 1.00 0.00 O ATOM 485 CB HIS A 30 -3.781 -6.861 -18.999 1.00 0.00 C ATOM 486 CG HIS A 30 -4.300 -5.592 -19.631 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.877 -5.144 -20.870 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.214 -4.683 -19.184 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.513 -4.013 -21.146 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.340 -3.730 -20.099 1.00 0.00 N ATOM 0 H HIS A 30 -3.538 -4.892 -16.497 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.161 -7.013 -16.928 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.945 -7.234 -19.591 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.563 -7.620 -19.037 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.745 -4.731 -18.245 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.396 -3.421 -22.042 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.955 -2.919 -20.030 1.00 0.00 H new ATOM 499 N TYR A 31 -1.010 -7.288 -17.854 1.00 0.00 N ATOM 500 CA TYR A 31 0.209 -8.043 -17.622 1.00 0.00 C ATOM 501 C TYR A 31 1.353 -7.519 -18.491 1.00 0.00 C ATOM 502 O TYR A 31 2.370 -8.191 -18.658 1.00 0.00 O ATOM 503 CB TYR A 31 -0.104 -9.486 -18.028 1.00 0.00 C ATOM 504 CG TYR A 31 -0.634 -9.627 -19.456 1.00 0.00 C ATOM 505 CD1 TYR A 31 -1.976 -9.432 -19.718 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.229 -9.953 -20.483 1.00 0.00 C ATOM 507 CE1 TYR A 31 -2.475 -9.566 -21.061 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.271 -10.087 -21.828 1.00 0.00 C ATOM 509 CZ TYR A 31 -1.598 -9.887 -22.050 1.00 0.00 C ATOM 510 OH TYR A 31 -2.069 -10.014 -23.320 1.00 0.00 O ATOM 0 H TYR A 31 -0.925 -6.545 -18.547 1.00 0.00 H new ATOM 0 HA TYR A 31 0.519 -7.959 -16.580 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.800 -10.086 -17.926 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.839 -9.897 -17.336 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.651 -9.179 -18.914 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.278 -10.108 -20.279 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.522 -9.415 -21.279 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.393 -10.340 -22.641 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.330 -10.245 -23.921 1.00 0.00 H new ATOM 520 N LYS A 32 1.149 -6.322 -19.023 1.00 0.00 N ATOM 521 CA LYS A 32 2.151 -5.698 -19.870 1.00 0.00 C ATOM 522 C LYS A 32 2.552 -4.348 -19.272 1.00 0.00 C ATOM 523 O LYS A 32 1.863 -3.823 -18.399 1.00 0.00 O ATOM 524 CB LYS A 32 1.650 -5.608 -21.313 1.00 0.00 C ATOM 525 CG LYS A 32 1.381 -6.999 -21.889 1.00 0.00 C ATOM 526 CD LYS A 32 0.081 -7.017 -22.694 1.00 0.00 C ATOM 527 CE LYS A 32 0.342 -7.410 -24.149 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.760 -6.940 -25.019 1.00 0.00 N ATOM 0 H LYS A 32 0.304 -5.768 -18.883 1.00 0.00 H new ATOM 0 HA LYS A 32 3.053 -6.309 -19.907 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.737 -5.013 -21.348 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.389 -5.093 -21.927 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.212 -7.299 -22.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.322 -7.726 -21.079 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.620 -7.720 -22.244 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.387 -6.033 -22.658 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.286 -6.981 -24.484 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.439 -8.493 -24.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.137 -7.741 -25.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.517 -6.535 -24.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.402 -6.214 -25.671 1.00 0.00 H new ATOM 542 N VAL A 33 3.664 -3.823 -19.766 1.00 0.00 N ATOM 543 CA VAL A 33 4.163 -2.545 -19.292 1.00 0.00 C ATOM 544 C VAL A 33 3.935 -1.482 -20.368 1.00 0.00 C ATOM 545 O VAL A 33 4.402 -1.625 -21.496 1.00 0.00 O ATOM 546 CB VAL A 33 5.632 -2.676 -18.883 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.164 -1.358 -18.317 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.824 -3.819 -17.884 1.00 0.00 C ATOM 0 H VAL A 33 4.233 -4.261 -20.490 1.00 0.00 H new ATOM 0 HA VAL A 33 3.618 -2.229 -18.402 1.00 0.00 H new ATOM 0 HB VAL A 33 6.208 -2.913 -19.778 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.210 -1.479 -18.034 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.081 -0.577 -19.073 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.581 -1.077 -17.440 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.877 -3.890 -17.610 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.229 -3.626 -16.991 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.503 -4.757 -18.338 1.00 0.00 H new ATOM 558 N TYR A 34 3.215 -0.440 -19.980 1.00 0.00 N ATOM 559 CA TYR A 34 2.918 0.649 -20.897 1.00 0.00 C ATOM 560 C TYR A 34 3.491 1.971 -20.384 1.00 0.00 C ATOM 561 O TYR A 34 3.608 2.174 -19.176 1.00 0.00 O ATOM 562 CB TYR A 34 1.392 0.752 -20.947 1.00 0.00 C ATOM 563 CG TYR A 34 0.684 -0.583 -21.188 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.784 -1.595 -20.254 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.052 -0.776 -22.339 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.118 -2.850 -20.480 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.718 -2.032 -22.565 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.600 -3.007 -21.625 1.00 0.00 C ATOM 569 OH TYR A 34 -1.229 -4.196 -21.839 1.00 0.00 O ATOM 0 H TYR A 34 2.828 -0.326 -19.043 1.00 0.00 H new ATOM 0 HA TYR A 34 3.357 0.457 -21.876 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.036 1.176 -20.008 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.111 1.448 -21.737 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.362 -1.444 -19.354 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.128 0.015 -23.070 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.186 -3.649 -19.757 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.298 -2.196 -23.461 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.022 -4.254 -21.267 1.00 0.00 H new ATOM 579 N ASP A 35 3.832 2.837 -21.326 1.00 0.00 N ATOM 580 CA ASP A 35 4.390 4.134 -20.985 1.00 0.00 C ATOM 581 C ASP A 35 3.259 5.158 -20.877 1.00 0.00 C ATOM 582 O ASP A 35 2.784 5.672 -21.889 1.00 0.00 O ATOM 583 CB ASP A 35 5.364 4.617 -22.062 1.00 0.00 C ATOM 584 CG ASP A 35 5.051 4.132 -23.479 1.00 0.00 C ATOM 585 OD1 ASP A 35 4.272 4.835 -24.160 1.00 0.00 O ATOM 586 OD2 ASP A 35 5.597 3.071 -23.850 1.00 0.00 O ATOM 0 H ASP A 35 3.733 2.666 -22.327 1.00 0.00 H new ATOM 0 HA ASP A 35 4.921 4.033 -20.039 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.373 5.707 -22.061 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.369 4.290 -21.795 1.00 0.00 H new ATOM 591 N LEU A 36 2.860 5.425 -19.642 1.00 0.00 N ATOM 592 CA LEU A 36 1.793 6.379 -19.390 1.00 0.00 C ATOM 593 C LEU A 36 2.227 7.763 -19.876 1.00 0.00 C ATOM 594 O LEU A 36 1.394 8.574 -20.278 1.00 0.00 O ATOM 595 CB LEU A 36 1.382 6.346 -17.916 1.00 0.00 C ATOM 596 CG LEU A 36 0.661 5.079 -17.451 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.045 5.278 -16.064 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.378 4.629 -18.479 1.00 0.00 C ATOM 0 H LEU A 36 3.256 4.997 -18.805 1.00 0.00 H new ATOM 0 HA LEU A 36 0.899 6.109 -19.953 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.276 6.476 -17.307 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.735 7.201 -17.720 1.00 0.00 H new ATOM 0 HG LEU A 36 1.397 4.279 -17.367 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.462 4.363 -15.756 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.831 5.516 -15.347 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.674 6.097 -16.099 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.875 3.727 -18.123 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.116 5.418 -18.620 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.116 4.421 -19.428 1.00 0.00 H new ATOM 610 N THR A 37 3.532 7.992 -19.823 1.00 0.00 N ATOM 611 CA THR A 37 4.086 9.264 -20.252 1.00 0.00 C ATOM 612 C THR A 37 3.624 9.595 -21.672 1.00 0.00 C ATOM 613 O THR A 37 3.678 10.749 -22.093 1.00 0.00 O ATOM 614 CB THR A 37 5.607 9.189 -20.110 1.00 0.00 C ATOM 615 OG1 THR A 37 5.832 9.317 -18.708 1.00 0.00 O ATOM 616 CG2 THR A 37 6.313 10.405 -20.713 1.00 0.00 C ATOM 0 H THR A 37 4.221 7.318 -19.489 1.00 0.00 H new ATOM 0 HA THR A 37 3.727 10.082 -19.628 1.00 0.00 H new ATOM 0 HB THR A 37 5.972 8.282 -20.592 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.262 10.178 -18.523 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.390 10.301 -20.585 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.079 10.472 -21.775 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.974 11.310 -20.209 1.00 0.00 H new ATOM 624 N LYS A 38 3.181 8.561 -22.371 1.00 0.00 N ATOM 625 CA LYS A 38 2.710 8.727 -23.736 1.00 0.00 C ATOM 626 C LYS A 38 1.246 9.173 -23.716 1.00 0.00 C ATOM 627 O LYS A 38 0.830 9.991 -24.535 1.00 0.00 O ATOM 628 CB LYS A 38 2.951 7.451 -24.546 1.00 0.00 C ATOM 629 CG LYS A 38 4.303 7.506 -25.263 1.00 0.00 C ATOM 630 CD LYS A 38 4.149 7.180 -26.749 1.00 0.00 C ATOM 631 CE LYS A 38 5.173 7.947 -27.589 1.00 0.00 C ATOM 632 NZ LYS A 38 6.090 7.007 -28.273 1.00 0.00 N ATOM 0 H LYS A 38 3.138 7.605 -22.018 1.00 0.00 H new ATOM 0 HA LYS A 38 3.276 9.510 -24.240 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.920 6.585 -23.885 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.152 7.323 -25.277 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.739 8.498 -25.148 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.992 6.799 -24.801 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.275 6.109 -26.905 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.141 7.433 -27.078 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.659 8.564 -28.326 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.744 8.622 -26.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.778 7.543 -28.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.594 6.436 -27.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.543 6.380 -28.897 1.00 0.00 H new ATOM 646 N PHE A 39 0.505 8.616 -22.769 1.00 0.00 N ATOM 647 CA PHE A 39 -0.904 8.946 -22.631 1.00 0.00 C ATOM 648 C PHE A 39 -1.166 9.696 -21.324 1.00 0.00 C ATOM 649 O PHE A 39 -2.196 9.496 -20.683 1.00 0.00 O ATOM 650 CB PHE A 39 -1.673 7.624 -22.608 1.00 0.00 C ATOM 651 CG PHE A 39 -3.058 7.699 -23.255 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.190 8.148 -24.532 1.00 0.00 C ATOM 653 CD2 PHE A 39 -4.158 7.314 -22.552 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.476 8.218 -25.130 1.00 0.00 C ATOM 655 CE2 PHE A 39 -5.444 7.384 -23.150 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.575 7.836 -24.427 1.00 0.00 C ATOM 0 H PHE A 39 0.853 7.939 -22.090 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.218 9.586 -23.456 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.084 6.864 -23.121 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.783 7.297 -21.574 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.317 8.451 -25.091 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.053 6.955 -21.539 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.581 8.575 -26.144 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.317 7.079 -22.592 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.553 7.891 -24.882 1.00 0.00 H new ATOM 666 N LEU A 40 -0.213 10.546 -20.965 1.00 0.00 N ATOM 667 CA LEU A 40 -0.327 11.327 -19.746 1.00 0.00 C ATOM 668 C LEU A 40 -1.207 12.550 -20.010 1.00 0.00 C ATOM 669 O LEU A 40 -1.951 12.986 -19.132 1.00 0.00 O ATOM 670 CB LEU A 40 1.060 11.673 -19.199 1.00 0.00 C ATOM 671 CG LEU A 40 1.242 11.519 -17.689 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.527 10.064 -17.316 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.325 12.466 -17.168 1.00 0.00 C ATOM 0 H LEU A 40 0.641 10.710 -21.498 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.816 10.745 -18.965 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.794 11.042 -19.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.289 12.704 -19.469 1.00 0.00 H new ATOM 0 HG LEU A 40 0.307 11.799 -17.203 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.652 9.983 -16.236 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.693 9.437 -17.633 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.439 9.733 -17.813 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.434 12.336 -16.091 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.272 12.241 -17.659 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.041 13.496 -17.382 1.00 0.00 H new ATOM 685 N GLU A 41 -1.094 13.071 -21.224 1.00 0.00 N ATOM 686 CA GLU A 41 -1.869 14.237 -21.614 1.00 0.00 C ATOM 687 C GLU A 41 -3.213 13.804 -22.207 1.00 0.00 C ATOM 688 O GLU A 41 -4.182 14.561 -22.171 1.00 0.00 O ATOM 689 CB GLU A 41 -1.090 15.108 -22.600 1.00 0.00 C ATOM 690 CG GLU A 41 -1.104 16.575 -22.165 1.00 0.00 C ATOM 691 CD GLU A 41 -0.643 17.489 -23.303 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.236 17.041 -24.070 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.181 18.614 -23.379 1.00 0.00 O ATOM 0 H GLU A 41 -0.477 12.707 -21.950 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.061 14.837 -20.725 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.061 14.755 -22.668 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.525 15.016 -23.595 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.110 16.856 -21.853 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.453 16.708 -21.301 1.00 0.00 H new ATOM 700 N GLU A 42 -3.227 12.590 -22.735 1.00 0.00 N ATOM 701 CA GLU A 42 -4.436 12.049 -23.334 1.00 0.00 C ATOM 702 C GLU A 42 -5.173 11.160 -22.331 1.00 0.00 C ATOM 703 O GLU A 42 -4.924 9.958 -22.261 1.00 0.00 O ATOM 704 CB GLU A 42 -4.115 11.279 -24.617 1.00 0.00 C ATOM 705 CG GLU A 42 -4.119 12.209 -25.831 1.00 0.00 C ATOM 706 CD GLU A 42 -5.368 11.991 -26.685 1.00 0.00 C ATOM 707 OE1 GLU A 42 -5.306 11.105 -27.566 1.00 0.00 O ATOM 708 OE2 GLU A 42 -6.359 12.714 -26.440 1.00 0.00 O ATOM 0 H GLU A 42 -2.421 11.965 -22.761 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.089 12.880 -23.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.140 10.801 -24.524 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.847 10.484 -24.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.078 13.246 -25.499 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.227 12.031 -26.432 1.00 0.00 H new ATOM 715 N HIS A 43 -6.067 11.787 -21.580 1.00 0.00 N ATOM 716 CA HIS A 43 -6.843 11.067 -20.583 1.00 0.00 C ATOM 717 C HIS A 43 -7.816 12.028 -19.898 1.00 0.00 C ATOM 718 O HIS A 43 -7.431 13.127 -19.497 1.00 0.00 O ATOM 719 CB HIS A 43 -5.923 10.349 -19.592 1.00 0.00 C ATOM 720 CG HIS A 43 -6.612 9.279 -18.780 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.601 9.561 -17.855 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.445 7.926 -18.764 1.00 0.00 C ATOM 723 CE1 HIS A 43 -8.003 8.422 -17.311 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.285 7.409 -17.876 1.00 0.00 N ATOM 0 H HIS A 43 -6.271 12.784 -21.641 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.434 10.291 -21.069 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.096 9.898 -20.141 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.492 11.085 -18.913 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.960 10.489 -17.630 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.747 7.369 -19.371 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.765 8.314 -16.553 1.00 0.00 H new ATOM 733 N PRO A 44 -9.091 11.570 -19.780 1.00 0.00 N ATOM 734 CA PRO A 44 -10.122 12.377 -19.151 1.00 0.00 C ATOM 735 C PRO A 44 -9.952 12.395 -17.629 1.00 0.00 C ATOM 736 O PRO A 44 -10.536 11.572 -16.927 1.00 0.00 O ATOM 737 CB PRO A 44 -11.435 11.752 -19.594 1.00 0.00 C ATOM 738 CG PRO A 44 -11.091 10.352 -20.071 1.00 0.00 C ATOM 739 CD PRO A 44 -9.582 10.274 -20.243 1.00 0.00 C ATOM 0 HA PRO A 44 -10.075 13.425 -19.447 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.149 11.720 -18.771 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.895 12.334 -20.392 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.432 9.609 -19.350 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.594 10.136 -21.013 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.158 9.458 -19.658 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.310 10.096 -21.283 1.00 0.00 H new ATOM 747 N GLY A 45 -9.148 13.340 -17.168 1.00 0.00 N ATOM 748 CA GLY A 45 -8.893 13.477 -15.744 1.00 0.00 C ATOM 749 C GLY A 45 -7.627 14.296 -15.489 1.00 0.00 C ATOM 750 O GLY A 45 -7.698 15.414 -14.982 1.00 0.00 O ATOM 0 H GLY A 45 -8.664 14.019 -17.755 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.745 13.959 -15.263 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.789 12.490 -15.293 1.00 0.00 H new ATOM 754 N GLY A 46 -6.497 13.708 -15.852 1.00 0.00 N ATOM 755 CA GLY A 46 -5.216 14.369 -15.669 1.00 0.00 C ATOM 756 C GLY A 46 -4.073 13.352 -15.644 1.00 0.00 C ATOM 757 O GLY A 46 -4.271 12.200 -15.264 1.00 0.00 O ATOM 0 H GLY A 46 -6.442 12.780 -16.272 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.053 15.084 -16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.225 14.935 -14.737 1.00 0.00 H new ATOM 761 N GLU A 47 -2.902 13.817 -16.053 1.00 0.00 N ATOM 762 CA GLU A 47 -1.727 12.963 -16.081 1.00 0.00 C ATOM 763 C GLU A 47 -1.729 12.016 -14.879 1.00 0.00 C ATOM 764 O GLU A 47 -1.451 10.826 -15.021 1.00 0.00 O ATOM 765 CB GLU A 47 -0.444 13.795 -16.121 1.00 0.00 C ATOM 766 CG GLU A 47 -0.256 14.450 -17.492 1.00 0.00 C ATOM 767 CD GLU A 47 0.528 15.758 -17.373 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.132 16.799 -17.167 1.00 0.00 O ATOM 769 OE2 GLU A 47 1.770 15.687 -17.489 1.00 0.00 O ATOM 0 H GLU A 47 -2.742 14.774 -16.368 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.760 12.364 -16.991 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.481 14.564 -15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.413 13.159 -15.897 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.271 13.765 -18.157 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.229 14.645 -17.942 1.00 0.00 H new ATOM 776 N GLU A 48 -2.045 12.582 -13.723 1.00 0.00 N ATOM 777 CA GLU A 48 -2.086 11.802 -12.497 1.00 0.00 C ATOM 778 C GLU A 48 -2.890 10.517 -12.711 1.00 0.00 C ATOM 779 O GLU A 48 -2.442 9.434 -12.340 1.00 0.00 O ATOM 780 CB GLU A 48 -2.666 12.625 -11.344 1.00 0.00 C ATOM 781 CG GLU A 48 -1.803 12.492 -10.088 1.00 0.00 C ATOM 782 CD GLU A 48 -1.921 13.738 -9.207 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.050 14.000 -8.743 1.00 0.00 O ATOM 784 OE2 GLU A 48 -0.877 14.398 -9.019 1.00 0.00 O ATOM 0 H GLU A 48 -2.275 13.569 -13.609 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.065 11.528 -12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.730 13.673 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.681 12.292 -11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.110 11.612 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.762 12.341 -10.372 1.00 0.00 H new ATOM 791 N VAL A 49 -4.061 10.682 -13.308 1.00 0.00 N ATOM 792 CA VAL A 49 -4.930 9.550 -13.575 1.00 0.00 C ATOM 793 C VAL A 49 -4.080 8.345 -13.984 1.00 0.00 C ATOM 794 O VAL A 49 -4.453 7.201 -13.727 1.00 0.00 O ATOM 795 CB VAL A 49 -5.974 9.929 -14.627 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.333 10.072 -16.010 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.118 8.912 -14.655 1.00 0.00 C ATOM 0 H VAL A 49 -4.428 11.583 -13.614 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.480 9.270 -12.676 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.392 10.897 -14.350 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.097 10.342 -16.739 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.570 10.850 -15.979 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.875 9.126 -16.298 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.847 9.205 -15.411 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.722 7.925 -14.895 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.601 8.881 -13.678 1.00 0.00 H new ATOM 807 N LEU A 50 -2.952 8.644 -14.613 1.00 0.00 N ATOM 808 CA LEU A 50 -2.045 7.600 -15.060 1.00 0.00 C ATOM 809 C LEU A 50 -0.795 7.604 -14.177 1.00 0.00 C ATOM 810 O LEU A 50 -0.270 6.546 -13.834 1.00 0.00 O ATOM 811 CB LEU A 50 -1.746 7.751 -16.552 1.00 0.00 C ATOM 812 CG LEU A 50 -2.956 7.700 -17.488 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.081 8.994 -18.293 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.898 6.465 -18.390 1.00 0.00 C ATOM 0 H LEU A 50 -2.646 9.594 -14.823 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.509 6.620 -14.951 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.233 8.701 -16.705 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.052 6.963 -16.845 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.856 7.612 -16.880 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.949 8.931 -18.950 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.202 9.836 -17.612 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.182 9.138 -18.892 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.769 6.452 -19.045 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.990 6.497 -18.993 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.893 5.565 -17.775 1.00 0.00 H new ATOM 826 N ARG A 51 -0.355 8.806 -13.838 1.00 0.00 N ATOM 827 CA ARG A 51 0.823 8.963 -13.002 1.00 0.00 C ATOM 828 C ARG A 51 0.595 8.316 -11.633 1.00 0.00 C ATOM 829 O ARG A 51 1.484 7.658 -11.098 1.00 0.00 O ATOM 830 CB ARG A 51 1.169 10.440 -12.808 1.00 0.00 C ATOM 831 CG ARG A 51 2.681 10.661 -12.866 1.00 0.00 C ATOM 832 CD ARG A 51 3.157 11.514 -11.687 1.00 0.00 C ATOM 833 NE ARG A 51 3.609 12.837 -12.169 1.00 0.00 N ATOM 834 CZ ARG A 51 4.370 13.678 -11.455 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.771 13.336 -10.223 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.731 14.859 -11.973 1.00 0.00 N ATOM 0 H ARG A 51 -0.793 9.681 -14.127 1.00 0.00 H new ATOM 0 HA ARG A 51 1.654 8.470 -13.507 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.681 11.036 -13.579 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.784 10.784 -11.848 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.193 9.699 -12.854 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.945 11.151 -13.803 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.348 11.637 -10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.972 11.009 -11.168 1.00 0.00 H new ATOM 0 HE ARG A 51 3.324 13.128 -13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.497 12.436 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.350 13.976 -9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.427 15.119 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.310 15.499 -11.429 1.00 0.00 H new ATOM 850 N GLU A 52 -0.603 8.528 -11.108 1.00 0.00 N ATOM 851 CA GLU A 52 -0.961 7.973 -9.813 1.00 0.00 C ATOM 852 C GLU A 52 -0.902 6.445 -9.856 1.00 0.00 C ATOM 853 O GLU A 52 -0.632 5.802 -8.842 1.00 0.00 O ATOM 854 CB GLU A 52 -2.343 8.457 -9.372 1.00 0.00 C ATOM 855 CG GLU A 52 -3.437 7.893 -10.281 1.00 0.00 C ATOM 856 CD GLU A 52 -4.567 8.906 -10.472 1.00 0.00 C ATOM 857 OE1 GLU A 52 -4.251 10.116 -10.474 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.722 8.448 -10.611 1.00 0.00 O ATOM 0 H GLU A 52 -1.338 9.076 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.238 8.324 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.528 8.152 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.374 9.546 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.011 7.631 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.836 6.975 -9.850 1.00 0.00 H new ATOM 865 N GLN A 53 -1.160 5.907 -11.038 1.00 0.00 N ATOM 866 CA GLN A 53 -1.140 4.467 -11.226 1.00 0.00 C ATOM 867 C GLN A 53 0.265 4.001 -11.613 1.00 0.00 C ATOM 868 O GLN A 53 0.615 2.839 -11.413 1.00 0.00 O ATOM 869 CB GLN A 53 -2.169 4.036 -12.274 1.00 0.00 C ATOM 870 CG GLN A 53 -1.858 4.660 -13.636 1.00 0.00 C ATOM 871 CD GLN A 53 -2.945 4.317 -14.657 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.818 3.401 -15.454 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.018 5.100 -14.588 1.00 0.00 N ATOM 0 H GLN A 53 -1.384 6.443 -11.876 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.411 3.994 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.173 2.949 -12.360 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.167 4.334 -11.953 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.778 5.742 -13.534 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.893 4.301 -13.993 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.059 5.849 -13.897 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.800 4.952 -15.226 1.00 0.00 H new ATOM 882 N ALA A 54 1.032 4.931 -12.161 1.00 0.00 N ATOM 883 CA ALA A 54 2.392 4.632 -12.577 1.00 0.00 C ATOM 884 C ALA A 54 3.211 4.201 -11.360 1.00 0.00 C ATOM 885 O ALA A 54 3.241 4.902 -10.349 1.00 0.00 O ATOM 886 CB ALA A 54 2.990 5.849 -13.283 1.00 0.00 C ATOM 0 H ALA A 54 0.738 5.893 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 54 2.402 3.806 -13.289 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.010 5.624 -13.595 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.389 6.094 -14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.998 6.698 -12.600 1.00 0.00 H new ATOM 892 N GLY A 55 3.856 3.051 -11.496 1.00 0.00 N ATOM 893 CA GLY A 55 4.673 2.520 -10.418 1.00 0.00 C ATOM 894 C GLY A 55 4.179 1.139 -9.985 1.00 0.00 C ATOM 895 O GLY A 55 4.583 0.630 -8.941 1.00 0.00 O ATOM 0 H GLY A 55 3.829 2.473 -12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.711 2.453 -10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.648 3.202 -9.568 1.00 0.00 H new ATOM 899 N GLY A 56 3.312 0.570 -10.810 1.00 0.00 N ATOM 900 CA GLY A 56 2.759 -0.742 -10.526 1.00 0.00 C ATOM 901 C GLY A 56 1.637 -1.089 -11.506 1.00 0.00 C ATOM 902 O GLY A 56 1.353 -0.324 -12.427 1.00 0.00 O ATOM 0 H GLY A 56 2.979 0.995 -11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.546 -1.493 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.376 -0.766 -9.506 1.00 0.00 H new ATOM 906 N ASP A 57 1.029 -2.244 -11.277 1.00 0.00 N ATOM 907 CA ASP A 57 -0.055 -2.700 -12.130 1.00 0.00 C ATOM 908 C ASP A 57 -1.255 -1.763 -11.971 1.00 0.00 C ATOM 909 O ASP A 57 -1.818 -1.649 -10.883 1.00 0.00 O ATOM 910 CB ASP A 57 -0.505 -4.111 -11.740 1.00 0.00 C ATOM 911 CG ASP A 57 -2.018 -4.336 -11.761 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.673 -3.877 -10.800 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.485 -4.963 -12.737 1.00 0.00 O ATOM 0 H ASP A 57 1.267 -2.877 -10.513 1.00 0.00 H new ATOM 0 HA ASP A 57 0.306 -2.705 -13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.037 -4.825 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.134 -4.331 -10.739 1.00 0.00 H new ATOM 918 N ALA A 58 -1.608 -1.115 -13.071 1.00 0.00 N ATOM 919 CA ALA A 58 -2.729 -0.190 -13.067 1.00 0.00 C ATOM 920 C ALA A 58 -4.018 -0.958 -13.366 1.00 0.00 C ATOM 921 O ALA A 58 -5.114 -0.458 -13.120 1.00 0.00 O ATOM 922 CB ALA A 58 -2.470 0.929 -14.075 1.00 0.00 C ATOM 0 H ALA A 58 -1.138 -1.212 -13.971 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.841 0.274 -12.087 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.311 1.623 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.559 1.461 -13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.355 0.502 -15.071 1.00 0.00 H new ATOM 928 N THR A 59 -3.844 -2.162 -13.894 1.00 0.00 N ATOM 929 CA THR A 59 -4.980 -3.003 -14.230 1.00 0.00 C ATOM 930 C THR A 59 -5.961 -3.067 -13.058 1.00 0.00 C ATOM 931 O THR A 59 -7.142 -2.761 -13.214 1.00 0.00 O ATOM 932 CB THR A 59 -4.445 -4.373 -14.651 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.050 -4.607 -15.920 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.977 -5.505 -13.770 1.00 0.00 C ATOM 0 H THR A 59 -2.933 -2.574 -14.097 1.00 0.00 H new ATOM 0 HA THR A 59 -5.546 -2.589 -15.064 1.00 0.00 H new ATOM 0 HB THR A 59 -3.356 -4.365 -14.613 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.969 -4.266 -15.912 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.567 -6.455 -14.112 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.679 -5.332 -12.736 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.065 -5.535 -13.834 1.00 0.00 H new ATOM 942 N GLU A 60 -5.436 -3.468 -11.910 1.00 0.00 N ATOM 943 CA GLU A 60 -6.249 -3.577 -10.710 1.00 0.00 C ATOM 944 C GLU A 60 -7.266 -2.435 -10.654 1.00 0.00 C ATOM 945 O GLU A 60 -8.350 -2.590 -10.094 1.00 0.00 O ATOM 946 CB GLU A 60 -5.377 -3.597 -9.455 1.00 0.00 C ATOM 947 CG GLU A 60 -4.511 -2.339 -9.370 1.00 0.00 C ATOM 948 CD GLU A 60 -5.005 -1.405 -8.263 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.896 -0.583 -8.569 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.483 -1.535 -7.134 1.00 0.00 O ATOM 0 H GLU A 60 -4.456 -3.722 -11.785 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.792 -4.521 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.009 -3.668 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.740 -4.482 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.475 -2.619 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.529 -1.816 -10.326 1.00 0.00 H new ATOM 957 N ASN A 61 -6.880 -1.313 -11.243 1.00 0.00 N ATOM 958 CA ASN A 61 -7.745 -0.144 -11.266 1.00 0.00 C ATOM 959 C ASN A 61 -8.510 -0.109 -12.591 1.00 0.00 C ATOM 960 O ASN A 61 -9.738 -0.049 -12.601 1.00 0.00 O ATOM 961 CB ASN A 61 -6.930 1.146 -11.156 1.00 0.00 C ATOM 962 CG ASN A 61 -7.399 1.991 -9.971 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.461 2.592 -9.984 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.551 2.003 -8.946 1.00 0.00 N ATOM 0 H ASN A 61 -5.981 -1.188 -11.708 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.428 -0.212 -10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.874 0.904 -11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.026 1.720 -12.077 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.774 2.537 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.678 1.478 -9.000 1.00 0.00 H new ATOM 971 N PHE A 62 -7.752 -0.147 -13.677 1.00 0.00 N ATOM 972 CA PHE A 62 -8.343 -0.119 -15.003 1.00 0.00 C ATOM 973 C PHE A 62 -9.508 -1.105 -15.106 1.00 0.00 C ATOM 974 O PHE A 62 -10.384 -0.952 -15.955 1.00 0.00 O ATOM 975 CB PHE A 62 -7.250 -0.537 -15.990 1.00 0.00 C ATOM 976 CG PHE A 62 -7.624 -1.735 -16.864 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.627 -2.988 -16.334 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.955 -1.548 -18.169 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.974 -4.101 -17.145 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.304 -2.662 -18.980 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.306 -3.914 -18.451 1.00 0.00 C ATOM 0 H PHE A 62 -6.733 -0.197 -13.665 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.726 0.879 -15.217 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.014 0.310 -16.634 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.344 -0.776 -15.433 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.366 -3.136 -15.297 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.953 -0.553 -18.590 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.974 -5.096 -16.725 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.568 -2.514 -20.017 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.571 -4.760 -19.067 1.00 0.00 H new ATOM 991 N GLU A 63 -9.481 -2.096 -14.226 1.00 0.00 N ATOM 992 CA GLU A 63 -10.524 -3.108 -14.207 1.00 0.00 C ATOM 993 C GLU A 63 -11.760 -2.581 -13.475 1.00 0.00 C ATOM 994 O GLU A 63 -12.887 -2.792 -13.921 1.00 0.00 O ATOM 995 CB GLU A 63 -10.019 -4.404 -13.567 1.00 0.00 C ATOM 996 CG GLU A 63 -9.680 -5.445 -14.635 1.00 0.00 C ATOM 997 CD GLU A 63 -10.725 -6.564 -14.662 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.690 -7.394 -13.728 1.00 0.00 O ATOM 999 OE2 GLU A 63 -11.533 -6.562 -15.615 1.00 0.00 O ATOM 0 H GLU A 63 -8.754 -2.219 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.803 -3.334 -15.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.136 -4.196 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.779 -4.802 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.630 -4.965 -15.613 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.695 -5.867 -14.437 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.507 -1.906 -12.363 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.586 -1.348 -11.565 1.00 0.00 C ATOM 1008 C ASP A 64 -13.318 -0.278 -12.381 1.00 0.00 C ATOM 1009 O ASP A 64 -14.485 0.011 -12.125 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.046 -0.687 -10.295 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.934 0.414 -9.713 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.892 0.052 -8.996 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.635 1.595 -9.996 1.00 0.00 O ATOM 0 H ASP A 64 -10.571 -1.733 -11.996 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.258 -2.161 -11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.902 -1.456 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.065 -0.265 -10.512 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.600 0.276 -13.345 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.166 1.308 -14.199 1.00 0.00 C ATOM 1020 C VAL A 65 -13.584 0.685 -15.533 1.00 0.00 C ATOM 1021 O VAL A 65 -13.960 1.397 -16.464 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.169 2.457 -14.363 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.869 2.167 -13.611 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.897 2.742 -15.842 1.00 0.00 C ATOM 0 H VAL A 65 -11.632 0.031 -13.555 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.060 1.734 -13.743 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.615 3.351 -13.927 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.178 2.999 -13.744 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.083 2.039 -12.550 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.418 1.255 -14.002 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.185 3.563 -15.929 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.483 1.851 -16.314 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.829 3.015 -16.337 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.504 -0.637 -15.584 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.869 -1.362 -16.789 1.00 0.00 C ATOM 1036 C GLY A 66 -13.564 -0.537 -18.040 1.00 0.00 C ATOM 1037 O GLY A 66 -14.465 0.056 -18.631 1.00 0.00 O ATOM 0 H GLY A 66 -13.192 -1.224 -14.811 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.324 -2.305 -16.829 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.930 -1.608 -16.762 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.291 -0.525 -18.407 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.857 0.217 -19.578 1.00 0.00 C ATOM 1043 C HIS A 67 -12.386 -0.462 -20.841 1.00 0.00 C ATOM 1044 O HIS A 67 -12.792 -1.622 -20.804 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.334 0.378 -19.584 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.855 1.697 -19.026 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -10.627 2.845 -19.045 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -8.673 2.035 -18.433 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.931 3.825 -18.487 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.722 3.322 -18.109 1.00 0.00 N ATOM 0 H HIS A 67 -11.546 -1.017 -17.914 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.271 1.225 -19.549 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.891 -0.432 -19.005 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.972 0.275 -20.607 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -11.571 2.924 -19.424 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.841 1.370 -18.257 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.264 4.844 -18.355 1.00 0.00 H new ATOM 1059 N SER A 68 -12.366 0.292 -21.932 1.00 0.00 N ATOM 1060 CA SER A 68 -12.839 -0.222 -23.206 1.00 0.00 C ATOM 1061 C SER A 68 -11.685 -0.873 -23.970 1.00 0.00 C ATOM 1062 O SER A 68 -10.522 -0.538 -23.748 1.00 0.00 O ATOM 1063 CB SER A 68 -13.473 0.887 -24.047 1.00 0.00 C ATOM 1064 OG SER A 68 -12.498 1.628 -24.776 1.00 0.00 O ATOM 0 H SER A 68 -12.030 1.255 -21.959 1.00 0.00 H new ATOM 0 HA SER A 68 -13.604 -0.973 -23.008 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.190 0.450 -24.742 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.030 1.562 -23.397 1.00 0.00 H new ATOM 0 HG SER A 68 -12.290 2.457 -24.296 1.00 0.00 H new ATOM 1070 N THR A 69 -12.045 -1.792 -24.854 1.00 0.00 N ATOM 1071 CA THR A 69 -11.053 -2.492 -25.652 1.00 0.00 C ATOM 1072 C THR A 69 -10.204 -1.494 -26.443 1.00 0.00 C ATOM 1073 O THR A 69 -9.091 -1.814 -26.857 1.00 0.00 O ATOM 1074 CB THR A 69 -11.785 -3.502 -26.537 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.945 -4.645 -25.703 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.919 -4.002 -27.695 1.00 0.00 C ATOM 0 H THR A 69 -13.010 -2.068 -25.035 1.00 0.00 H new ATOM 0 HA THR A 69 -10.352 -3.039 -25.021 1.00 0.00 H new ATOM 0 HB THR A 69 -12.692 -3.046 -26.933 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.413 -5.349 -26.199 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.486 -4.716 -28.292 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.626 -3.159 -28.320 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.027 -4.488 -27.299 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.760 -0.308 -26.627 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.068 0.739 -27.359 1.00 0.00 C ATOM 1086 C ASP A 70 -8.920 1.280 -26.504 1.00 0.00 C ATOM 1087 O ASP A 70 -7.774 1.318 -26.951 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.009 1.902 -27.680 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.407 2.995 -28.565 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.000 2.650 -29.696 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.366 4.151 -28.091 1.00 0.00 O ATOM 0 H ASP A 70 -11.684 -0.047 -26.282 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.696 0.310 -28.289 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.898 1.506 -28.172 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.337 2.353 -26.744 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.268 1.687 -25.293 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.281 2.224 -24.372 1.00 0.00 C ATOM 1098 C ALA A 71 -7.118 1.237 -24.245 1.00 0.00 C ATOM 1099 O ALA A 71 -5.954 1.635 -24.291 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.945 2.518 -23.025 1.00 0.00 C ATOM 0 H ALA A 71 -10.220 1.656 -24.928 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.877 3.164 -24.748 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.204 2.921 -22.334 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.744 3.246 -23.165 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.360 1.597 -22.615 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.472 -0.029 -24.089 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.472 -1.076 -23.955 1.00 0.00 C ATOM 1108 C ARG A 72 -5.656 -1.197 -25.244 1.00 0.00 C ATOM 1109 O ARG A 72 -4.440 -1.372 -25.197 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.125 -2.424 -23.642 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.111 -2.299 -22.480 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.775 -3.644 -22.179 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.763 -4.612 -21.700 1.00 0.00 N ATOM 1114 CZ ARG A 72 -7.947 -5.938 -21.670 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.106 -6.464 -22.090 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -6.973 -6.742 -21.221 1.00 0.00 N ATOM 0 H ARG A 72 -8.438 -0.355 -24.052 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.814 -0.805 -23.129 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.644 -2.794 -24.526 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.356 -3.156 -23.394 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.590 -1.940 -21.593 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.873 -1.559 -22.723 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.552 -3.515 -21.426 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.261 -4.028 -23.076 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.869 -4.246 -21.372 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.848 -5.854 -22.433 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.246 -7.474 -22.067 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.090 -6.344 -20.901 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.115 -7.752 -21.199 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.359 -1.101 -26.363 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.715 -1.199 -27.661 1.00 0.00 C ATOM 1132 C GLU A 73 -4.738 -0.037 -27.858 1.00 0.00 C ATOM 1133 O GLU A 73 -3.638 -0.228 -28.375 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.751 -1.239 -28.786 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.997 -2.674 -29.254 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.160 -2.737 -30.247 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.362 -1.721 -30.947 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.821 -3.798 -30.282 1.00 0.00 O ATOM 0 H GLU A 73 -7.368 -0.956 -26.397 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.153 -2.132 -27.696 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.687 -0.800 -28.439 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.406 -0.633 -29.624 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.094 -3.068 -29.721 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.214 -3.308 -28.394 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.175 1.140 -27.436 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.353 2.331 -27.559 1.00 0.00 C ATOM 1147 C LEU A 74 -3.061 2.139 -26.763 1.00 0.00 C ATOM 1148 O LEU A 74 -1.985 2.530 -27.213 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.146 3.574 -27.152 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.755 4.213 -25.818 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.846 5.424 -26.035 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.994 4.568 -24.994 1.00 0.00 C ATOM 0 H LEU A 74 -6.088 1.294 -27.008 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.067 2.490 -28.599 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.037 4.323 -27.936 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.202 3.309 -27.109 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.186 3.481 -25.244 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.583 5.859 -25.071 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.939 5.110 -26.551 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.368 6.167 -26.638 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.687 5.020 -24.051 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.611 5.273 -25.551 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.568 3.664 -24.792 1.00 0.00 H new ATOM 1164 N SER A 75 -3.209 1.535 -25.592 1.00 0.00 N ATOM 1165 CA SER A 75 -2.067 1.286 -24.729 1.00 0.00 C ATOM 1166 C SER A 75 -1.039 0.418 -25.458 1.00 0.00 C ATOM 1167 O SER A 75 0.152 0.477 -25.157 1.00 0.00 O ATOM 1168 CB SER A 75 -2.499 0.612 -23.424 1.00 0.00 C ATOM 1169 OG SER A 75 -1.826 1.159 -22.294 1.00 0.00 O ATOM 0 H SER A 75 -4.102 1.211 -25.221 1.00 0.00 H new ATOM 0 HA SER A 75 -1.612 2.245 -24.479 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.575 0.726 -23.296 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.297 -0.457 -23.484 1.00 0.00 H new ATOM 0 HG SER A 75 -1.253 0.474 -21.891 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.537 -0.365 -26.403 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.677 -1.243 -27.178 1.00 0.00 C ATOM 1177 C LYS A 76 0.430 -0.416 -27.834 1.00 0.00 C ATOM 1178 O LYS A 76 1.448 -0.961 -28.260 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.503 -2.062 -28.172 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.388 -1.489 -29.585 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.031 -2.424 -30.610 1.00 0.00 C ATOM 1182 CE LYS A 76 -3.494 -2.050 -30.854 1.00 0.00 C ATOM 1183 NZ LYS A 76 -4.159 -3.074 -31.691 1.00 0.00 N ATOM 0 H LYS A 76 -2.526 -0.410 -26.650 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.190 -1.970 -26.528 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.162 -3.097 -28.167 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.548 -2.069 -27.863 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.870 -0.512 -29.626 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.338 -1.337 -29.835 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.478 -2.375 -31.548 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.969 -3.453 -30.257 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.015 -1.956 -29.901 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.550 -1.078 -31.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.151 -2.804 -31.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.671 -3.144 -32.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.122 -3.994 -31.208 1.00 0.00 H new ATOM 1197 N THR A 77 0.195 0.887 -27.895 1.00 0.00 N ATOM 1198 CA THR A 77 1.160 1.794 -28.492 1.00 0.00 C ATOM 1199 C THR A 77 2.256 2.147 -27.483 1.00 0.00 C ATOM 1200 O THR A 77 3.386 2.444 -27.868 1.00 0.00 O ATOM 1201 CB THR A 77 0.401 3.015 -29.015 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.005 3.710 -27.834 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.923 2.639 -29.685 1.00 0.00 C ATOM 0 H THR A 77 -0.650 1.336 -27.541 1.00 0.00 H new ATOM 0 HA THR A 77 1.673 1.327 -29.333 1.00 0.00 H new ATOM 0 HB THR A 77 1.028 3.555 -29.725 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.952 3.569 -27.677 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.421 3.542 -30.038 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.729 1.978 -30.530 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.563 2.129 -28.965 1.00 0.00 H new ATOM 1211 N PHE A 78 1.883 2.101 -26.213 1.00 0.00 N ATOM 1212 CA PHE A 78 2.820 2.412 -25.146 1.00 0.00 C ATOM 1213 C PHE A 78 3.439 1.136 -24.573 1.00 0.00 C ATOM 1214 O PHE A 78 4.310 1.201 -23.705 1.00 0.00 O ATOM 1215 CB PHE A 78 2.027 3.118 -24.045 1.00 0.00 C ATOM 1216 CG PHE A 78 0.999 4.124 -24.567 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.353 5.025 -25.524 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.270 4.116 -24.078 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.397 5.958 -26.007 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.224 5.049 -24.561 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.870 5.950 -25.517 1.00 0.00 C ATOM 0 H PHE A 78 0.945 1.853 -25.898 1.00 0.00 H new ATOM 0 HA PHE A 78 3.627 3.036 -25.530 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.513 2.368 -23.443 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.723 3.635 -23.384 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.359 5.030 -25.916 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.552 3.399 -23.321 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.678 6.675 -26.765 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.231 5.044 -24.170 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.596 6.659 -25.886 1.00 0.00 H new ATOM 1231 N ILE A 79 2.968 0.007 -25.081 1.00 0.00 N ATOM 1232 CA ILE A 79 3.465 -1.283 -24.628 1.00 0.00 C ATOM 1233 C ILE A 79 4.925 -1.439 -25.057 1.00 0.00 C ATOM 1234 O ILE A 79 5.219 -1.555 -26.246 1.00 0.00 O ATOM 1235 CB ILE A 79 2.556 -2.409 -25.122 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.419 -2.671 -24.131 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.362 -3.676 -25.416 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.105 -4.165 -24.037 1.00 0.00 C ATOM 0 H ILE A 79 2.248 -0.042 -25.802 1.00 0.00 H new ATOM 0 HA ILE A 79 3.443 -1.341 -23.540 1.00 0.00 H new ATOM 0 HB ILE A 79 2.100 -2.092 -26.060 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.695 -2.291 -23.147 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.527 -2.128 -24.444 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.691 -4.461 -25.766 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.105 -3.464 -26.185 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.865 -4.007 -24.507 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.294 -4.322 -23.326 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.806 -4.536 -25.017 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.991 -4.703 -23.701 1.00 0.00 H new ATOM 1250 N ILE A 80 5.803 -1.437 -24.065 1.00 0.00 N ATOM 1251 CA ILE A 80 7.226 -1.577 -24.324 1.00 0.00 C ATOM 1252 C ILE A 80 7.695 -2.951 -23.841 1.00 0.00 C ATOM 1253 O ILE A 80 8.675 -3.493 -24.350 1.00 0.00 O ATOM 1254 CB ILE A 80 8.001 -0.412 -23.708 1.00 0.00 C ATOM 1255 CG1 ILE A 80 7.756 -0.328 -22.200 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.669 0.904 -24.416 1.00 0.00 C ATOM 1257 CD1 ILE A 80 8.878 0.446 -21.503 1.00 0.00 C ATOM 0 H ILE A 80 5.556 -1.341 -23.080 1.00 0.00 H new ATOM 0 HA ILE A 80 7.424 -1.530 -25.395 1.00 0.00 H new ATOM 0 HB ILE A 80 9.066 -0.596 -23.853 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.800 0.161 -22.010 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.689 -1.333 -21.783 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.234 1.716 -23.958 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.934 0.827 -25.470 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.602 1.107 -24.324 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.679 0.491 -20.432 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.829 -0.058 -21.674 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.926 1.458 -21.905 1.00 0.00 H new ATOM 1269 N GLY A 81 6.972 -3.477 -22.861 1.00 0.00 N ATOM 1270 CA GLY A 81 7.302 -4.777 -22.303 1.00 0.00 C ATOM 1271 C GLY A 81 6.120 -5.355 -21.522 1.00 0.00 C ATOM 1272 O GLY A 81 4.968 -5.012 -21.789 1.00 0.00 O ATOM 0 H GLY A 81 6.160 -3.026 -22.440 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.582 -5.460 -23.105 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.167 -4.686 -21.646 1.00 0.00 H new ATOM 1276 N GLU A 82 6.444 -6.220 -20.573 1.00 0.00 N ATOM 1277 CA GLU A 82 5.424 -6.848 -19.752 1.00 0.00 C ATOM 1278 C GLU A 82 6.007 -7.251 -18.396 1.00 0.00 C ATOM 1279 O GLU A 82 7.224 -7.274 -18.221 1.00 0.00 O ATOM 1280 CB GLU A 82 4.811 -8.054 -20.466 1.00 0.00 C ATOM 1281 CG GLU A 82 5.089 -8.000 -21.969 1.00 0.00 C ATOM 1282 CD GLU A 82 4.565 -9.256 -22.669 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.820 -10.354 -22.128 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.922 -9.089 -23.729 1.00 0.00 O ATOM 0 H GLU A 82 7.400 -6.501 -20.354 1.00 0.00 H new ATOM 0 HA GLU A 82 4.627 -6.125 -19.582 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.220 -8.974 -20.050 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.735 -8.076 -20.292 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.617 -7.116 -22.398 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.161 -7.904 -22.141 1.00 0.00 H new ATOM 1291 N LEU A 83 5.111 -7.560 -17.470 1.00 0.00 N ATOM 1292 CA LEU A 83 5.521 -7.962 -16.136 1.00 0.00 C ATOM 1293 C LEU A 83 6.190 -9.336 -16.204 1.00 0.00 C ATOM 1294 O LEU A 83 5.616 -10.283 -16.741 1.00 0.00 O ATOM 1295 CB LEU A 83 4.336 -7.902 -15.170 1.00 0.00 C ATOM 1296 CG LEU A 83 4.687 -7.801 -13.684 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.134 -8.229 -13.430 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.403 -6.395 -13.148 1.00 0.00 C ATOM 0 H LEU A 83 4.102 -7.540 -17.618 1.00 0.00 H new ATOM 0 HA LEU A 83 6.261 -7.267 -15.740 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.719 -7.044 -15.436 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.726 -8.793 -15.319 1.00 0.00 H new ATOM 0 HG LEU A 83 4.047 -8.492 -13.135 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.356 -8.147 -12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.270 -9.262 -13.751 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.808 -7.583 -13.992 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.661 -6.350 -12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.000 -5.668 -13.698 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.345 -6.165 -13.274 1.00 0.00 H new ATOM 1310 N HIS A 84 7.391 -9.403 -15.652 1.00 0.00 N ATOM 1311 CA HIS A 84 8.144 -10.646 -15.644 1.00 0.00 C ATOM 1312 C HIS A 84 7.550 -11.598 -14.604 1.00 0.00 C ATOM 1313 O HIS A 84 6.536 -11.288 -13.982 1.00 0.00 O ATOM 1314 CB HIS A 84 9.634 -10.378 -15.420 1.00 0.00 C ATOM 1315 CG HIS A 84 10.530 -10.961 -16.487 1.00 0.00 C ATOM 1316 ND1 HIS A 84 11.906 -11.021 -16.358 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.232 -11.507 -17.700 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.404 -11.581 -17.451 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.365 -11.881 -18.282 1.00 0.00 N ATOM 0 H HIS A 84 7.863 -8.616 -15.206 1.00 0.00 H new ATOM 0 HA HIS A 84 8.064 -11.130 -16.617 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.796 -9.301 -15.373 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.925 -10.787 -14.452 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.242 -11.617 -18.117 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.449 -11.767 -17.649 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.445 -12.320 -19.199 1.00 0.00 H new ATOM 1328 N PRO A 85 8.225 -12.768 -14.446 1.00 0.00 N ATOM 1329 CA PRO A 85 7.774 -13.768 -13.492 1.00 0.00 C ATOM 1330 C PRO A 85 8.100 -13.346 -12.059 1.00 0.00 C ATOM 1331 O PRO A 85 7.909 -14.118 -11.120 1.00 0.00 O ATOM 1332 CB PRO A 85 8.476 -15.051 -13.907 1.00 0.00 C ATOM 1333 CG PRO A 85 9.643 -14.625 -14.782 1.00 0.00 C ATOM 1334 CD PRO A 85 9.429 -13.169 -15.166 1.00 0.00 C ATOM 0 HA PRO A 85 6.692 -13.900 -13.501 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.824 -15.605 -13.035 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.798 -15.708 -14.453 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.585 -14.744 -14.247 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.701 -15.250 -15.673 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.283 -12.555 -14.881 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.302 -13.058 -16.243 1.00 0.00 H new ATOM 1342 N ASP A 86 8.589 -12.121 -11.934 1.00 0.00 N ATOM 1343 CA ASP A 86 8.944 -11.585 -10.629 1.00 0.00 C ATOM 1344 C ASP A 86 7.668 -11.201 -9.877 1.00 0.00 C ATOM 1345 O ASP A 86 7.655 -11.167 -8.647 1.00 0.00 O ATOM 1346 CB ASP A 86 9.808 -10.330 -10.767 1.00 0.00 C ATOM 1347 CG ASP A 86 9.494 -9.216 -9.766 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.979 -9.331 -8.618 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.774 -8.277 -10.169 1.00 0.00 O ATOM 0 H ASP A 86 8.748 -11.484 -12.714 1.00 0.00 H new ATOM 0 HA ASP A 86 9.503 -12.350 -10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.855 -10.614 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.690 -9.935 -11.776 1.00 0.00 H new ATOM 1354 N ASP A 87 6.627 -10.923 -10.646 1.00 0.00 N ATOM 1355 CA ASP A 87 5.349 -10.542 -10.067 1.00 0.00 C ATOM 1356 C ASP A 87 4.287 -10.497 -11.167 1.00 0.00 C ATOM 1357 O ASP A 87 3.581 -9.502 -11.313 1.00 0.00 O ATOM 1358 CB ASP A 87 5.425 -9.156 -9.426 1.00 0.00 C ATOM 1359 CG ASP A 87 6.245 -9.081 -8.137 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.657 -9.372 -7.073 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.442 -8.737 -8.245 1.00 0.00 O ATOM 0 H ASP A 87 6.641 -10.954 -11.665 1.00 0.00 H new ATOM 0 HA ASP A 87 5.093 -11.278 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.850 -8.461 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.412 -8.815 -9.214 1.00 0.00 H new ATOM 1366 N ARG A 88 4.209 -11.590 -11.914 1.00 0.00 N ATOM 1367 CA ARG A 88 3.245 -11.688 -12.998 1.00 0.00 C ATOM 1368 C ARG A 88 1.861 -12.030 -12.446 1.00 0.00 C ATOM 1369 O ARG A 88 0.973 -11.178 -12.411 1.00 0.00 O ATOM 1370 CB ARG A 88 3.662 -12.756 -14.010 1.00 0.00 C ATOM 1371 CG ARG A 88 4.186 -12.117 -15.298 1.00 0.00 C ATOM 1372 CD ARG A 88 5.175 -13.044 -16.007 1.00 0.00 C ATOM 1373 NE ARG A 88 4.487 -14.277 -16.447 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.935 -15.080 -17.424 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.072 -14.783 -18.066 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.245 -16.179 -17.756 1.00 0.00 N ATOM 0 H ARG A 88 4.797 -12.414 -11.790 1.00 0.00 H new ATOM 0 HA ARG A 88 3.211 -10.722 -13.501 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.433 -13.392 -13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.811 -13.398 -14.238 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.352 -11.893 -15.963 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.672 -11.169 -15.066 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.611 -12.535 -16.866 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.996 -13.296 -15.335 1.00 0.00 H new ATOM 0 HE ARG A 88 3.618 -14.533 -15.979 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.597 -13.946 -17.812 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.413 -15.393 -18.809 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.379 -16.405 -17.266 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.585 -16.790 -18.499 1.00 0.00 H new ATOM 1390 N SER A 89 1.715 -13.279 -12.030 1.00 0.00 N ATOM 1391 CA SER A 89 0.452 -13.745 -11.483 1.00 0.00 C ATOM 1392 C SER A 89 0.088 -12.928 -10.241 1.00 0.00 C ATOM 1393 O SER A 89 -1.047 -12.981 -9.769 1.00 0.00 O ATOM 1394 CB SER A 89 0.518 -15.234 -11.137 1.00 0.00 C ATOM 1395 OG SER A 89 1.737 -15.579 -10.489 1.00 0.00 O ATOM 0 H SER A 89 2.452 -13.984 -12.061 1.00 0.00 H new ATOM 0 HA SER A 89 -0.320 -13.609 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.321 -15.493 -10.492 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.413 -15.823 -12.048 1.00 0.00 H new ATOM 0 HG SER A 89 1.739 -16.537 -10.284 1.00 0.00 H new ATOM 1401 N LYS A 90 1.071 -12.191 -9.748 1.00 0.00 N ATOM 1402 CA LYS A 90 0.868 -11.363 -8.570 1.00 0.00 C ATOM 1403 C LYS A 90 0.037 -10.137 -8.951 1.00 0.00 C ATOM 1404 O LYS A 90 -0.445 -9.414 -8.079 1.00 0.00 O ATOM 1405 CB LYS A 90 2.209 -11.019 -7.918 1.00 0.00 C ATOM 1406 CG LYS A 90 2.490 -11.933 -6.725 1.00 0.00 C ATOM 1407 CD LYS A 90 3.127 -11.152 -5.573 1.00 0.00 C ATOM 1408 CE LYS A 90 3.737 -12.101 -4.540 1.00 0.00 C ATOM 1409 NZ LYS A 90 5.005 -11.547 -4.015 1.00 0.00 N ATOM 0 H LYS A 90 2.011 -12.149 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 90 0.304 -11.909 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.009 -11.116 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.202 -9.979 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.561 -12.392 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.153 -12.742 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.898 -10.487 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.376 -10.523 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.035 -12.257 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.919 -13.075 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.407 -12.203 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.679 -11.420 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.822 -10.628 -3.564 1.00 0.00 H new ATOM 1423 N ILE A 91 -0.106 -9.940 -10.253 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.871 -8.813 -10.760 1.00 0.00 C ATOM 1425 C ILE A 91 -1.796 -9.293 -11.881 1.00 0.00 C ATOM 1426 O ILE A 91 -2.968 -8.924 -11.923 1.00 0.00 O ATOM 1427 CB ILE A 91 0.064 -7.676 -11.179 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.489 -7.825 -12.640 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.267 -7.581 -10.238 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.270 -6.597 -13.113 1.00 0.00 C ATOM 0 H ILE A 91 0.295 -10.542 -10.973 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.506 -8.400 -9.976 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.483 -6.737 -11.098 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.104 -8.718 -12.754 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.392 -7.963 -13.266 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.916 -6.765 -10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.920 -7.392 -9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.823 -8.518 -10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.560 -6.730 -14.155 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.644 -5.710 -13.021 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.163 -6.476 -12.500 1.00 0.00 H new ATOM 1442 N THR A 92 -1.233 -10.107 -12.761 1.00 0.00 N ATOM 1443 CA THR A 92 -1.992 -10.641 -13.879 1.00 0.00 C ATOM 1444 C THR A 92 -3.446 -10.883 -13.469 1.00 0.00 C ATOM 1445 O THR A 92 -4.363 -10.649 -14.254 1.00 0.00 O ATOM 1446 CB THR A 92 -1.281 -11.903 -14.373 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.514 -11.904 -15.779 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.958 -13.186 -13.884 1.00 0.00 C ATOM 0 H THR A 92 -0.260 -10.410 -12.723 1.00 0.00 H new ATOM 0 HA THR A 92 -2.034 -9.930 -14.704 1.00 0.00 H new ATOM 0 HB THR A 92 -0.243 -11.889 -14.039 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.086 -12.688 -16.181 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.414 -14.051 -14.263 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.957 -13.205 -12.794 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.985 -13.216 -14.247 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.610 -11.350 -12.240 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.937 -11.627 -11.716 1.00 0.00 C ATOM 1458 C LYS A 93 -5.358 -10.492 -10.780 1.00 0.00 C ATOM 1459 O LYS A 93 -4.681 -10.214 -9.792 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.978 -13.010 -11.064 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.391 -13.348 -10.586 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.353 -14.348 -9.427 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.704 -15.048 -9.264 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.393 -14.566 -8.045 1.00 0.00 N ATOM 0 H LYS A 93 -2.846 -11.544 -11.592 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.667 -11.661 -12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.642 -13.763 -11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.288 -13.039 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.899 -12.437 -10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.968 -13.764 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.574 -15.089 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.093 -13.830 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.326 -14.860 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.557 -16.126 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.308 -15.051 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.805 -14.768 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.550 -13.541 -8.118 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.504 -9.849 -11.134 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.022 -8.752 -10.337 1.00 0.00 C ATOM 1480 C PRO A 94 -7.669 -9.266 -9.049 1.00 0.00 C ATOM 1481 O PRO A 94 -7.703 -10.472 -8.807 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.006 -8.034 -11.249 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.347 -9.022 -12.353 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.331 -10.151 -12.299 1.00 0.00 C ATOM 0 HA PRO A 94 -6.240 -8.072 -10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.900 -7.736 -10.702 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.566 -7.125 -11.660 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.357 -9.410 -12.219 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.321 -8.531 -13.326 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.820 -11.120 -12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.733 -10.190 -13.210 1.00 0.00 H new ATOM 1492 N SER A 95 -8.163 -8.327 -8.256 1.00 0.00 N ATOM 1493 CA SER A 95 -8.806 -8.670 -7.000 1.00 0.00 C ATOM 1494 C SER A 95 -10.202 -8.046 -6.938 1.00 0.00 C ATOM 1495 O SER A 95 -10.453 -7.015 -7.558 1.00 0.00 O ATOM 1496 CB SER A 95 -7.965 -8.208 -5.808 1.00 0.00 C ATOM 1497 OG SER A 95 -7.615 -9.291 -4.950 1.00 0.00 O ATOM 0 H SER A 95 -8.131 -7.328 -8.459 1.00 0.00 H new ATOM 0 HA SER A 95 -8.898 -9.755 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.058 -7.724 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.520 -7.461 -5.241 1.00 0.00 H new ATOM 0 HG SER A 95 -7.077 -8.956 -4.203 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.074 -8.700 -6.184 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.438 -8.222 -6.034 1.00 0.00 C ATOM 1505 C GLU A 96 -12.514 -7.175 -4.921 1.00 0.00 C ATOM 1506 O GLU A 96 -11.679 -7.163 -4.018 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.398 -9.382 -5.763 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.647 -9.278 -6.639 1.00 0.00 C ATOM 1509 CD GLU A 96 -15.500 -10.543 -6.533 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.948 -10.831 -5.402 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -15.686 -11.193 -7.584 1.00 0.00 O ATOM 0 H GLU A 96 -10.863 -9.556 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.743 -7.752 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.893 -10.329 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.686 -9.382 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.236 -8.412 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.355 -9.118 -7.677 1.00 0.00 H new ATOM 1518 N SER A 97 -13.524 -6.323 -5.022 1.00 0.00 N ATOM 1519 CA SER A 97 -13.720 -5.276 -4.034 1.00 0.00 C ATOM 1520 C SER A 97 -14.477 -5.830 -2.826 1.00 0.00 C ATOM 1521 O SER A 97 -14.877 -6.993 -2.819 1.00 0.00 O ATOM 1522 CB SER A 97 -14.474 -4.087 -4.634 1.00 0.00 C ATOM 1523 OG SER A 97 -13.659 -3.334 -5.529 1.00 0.00 O ATOM 0 H SER A 97 -14.215 -6.337 -5.772 1.00 0.00 H new ATOM 0 HA SER A 97 -12.740 -4.925 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.356 -4.447 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.826 -3.439 -3.832 1.00 0.00 H new ATOM 0 HG SER A 97 -14.177 -2.585 -5.892 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.652 -4.971 -1.832 1.00 0.00 N ATOM 1530 CA ILE A 98 -15.355 -5.360 -0.621 1.00 0.00 C ATOM 1531 C ILE A 98 -16.705 -4.641 -0.566 1.00 0.00 C ATOM 1532 O ILE A 98 -17.677 -5.178 -0.037 1.00 0.00 O ATOM 1533 CB ILE A 98 -14.477 -5.117 0.608 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -14.196 -3.625 0.795 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -13.190 -5.939 0.535 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -15.028 -3.049 1.942 1.00 0.00 C ATOM 0 H ILE A 98 -14.319 -4.007 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.565 -6.430 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.023 -5.454 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.136 -3.474 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.423 -3.090 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -12.585 -5.747 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -13.438 -6.999 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -12.628 -5.657 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -14.809 -1.987 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -16.088 -3.180 1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -14.781 -3.569 2.868 1.00 0.00 H new ATOM 1548 N ILE A 99 -16.720 -3.438 -1.120 1.00 0.00 N ATOM 1549 CA ILE A 99 -17.934 -2.639 -1.140 1.00 0.00 C ATOM 1550 C ILE A 99 -18.383 -2.363 0.296 1.00 0.00 C ATOM 1551 O ILE A 99 -18.125 -3.162 1.195 1.00 0.00 O ATOM 1552 CB ILE A 99 -19.005 -3.315 -1.999 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -18.561 -3.401 -3.461 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.354 -2.609 -1.850 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -19.165 -4.630 -4.145 1.00 0.00 C ATOM 0 H ILE A 99 -15.911 -2.997 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 99 -17.745 -1.672 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 99 -19.135 -4.336 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -18.866 -2.499 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.473 -3.449 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -21.097 -3.109 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -20.670 -2.644 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.258 -1.570 -2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.834 -4.668 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -18.839 -5.532 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.253 -4.566 -4.113 1.00 0.00 H new ATOM 1567 N THR A 100 -19.044 -1.228 0.467 1.00 0.00 N ATOM 1568 CA THR A 100 -19.530 -0.836 1.779 1.00 0.00 C ATOM 1569 C THR A 100 -20.993 -0.396 1.696 1.00 0.00 C ATOM 1570 O THR A 100 -21.498 -0.108 0.613 1.00 0.00 O ATOM 1571 CB THR A 100 -18.599 0.250 2.324 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.052 0.458 3.658 1.00 0.00 O ATOM 1573 CG2 THR A 100 -18.815 1.602 1.642 1.00 0.00 C ATOM 0 H THR A 100 -19.255 -0.567 -0.281 1.00 0.00 H new ATOM 0 HA THR A 100 -19.514 -1.676 2.473 1.00 0.00 H new ATOM 0 HB THR A 100 -17.563 -0.061 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.502 1.146 4.087 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.130 2.337 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.627 1.504 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.842 1.930 1.801 1.00 0.00 H new ATOM 1581 N THR A 101 -21.633 -0.358 2.857 1.00 0.00 N ATOM 1582 CA THR A 101 -23.027 0.041 2.929 1.00 0.00 C ATOM 1583 C THR A 101 -23.192 1.238 3.868 1.00 0.00 C ATOM 1584 O THR A 101 -22.561 1.295 4.923 1.00 0.00 O ATOM 1585 CB THR A 101 -23.848 -1.179 3.352 1.00 0.00 C ATOM 1586 OG1 THR A 101 -23.601 -2.137 2.324 1.00 0.00 O ATOM 1587 CG2 THR A 101 -25.356 -0.929 3.273 1.00 0.00 C ATOM 0 H THR A 101 -21.211 -0.597 3.754 1.00 0.00 H new ATOM 0 HA THR A 101 -23.392 0.376 1.958 1.00 0.00 H new ATOM 0 HB THR A 101 -23.580 -1.460 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 101 -24.094 -2.961 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 101 -25.890 -1.827 3.584 1.00 0.00 H new ATOM 0 HG22 THR A 101 -25.623 -0.102 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 101 -25.630 -0.680 2.248 1.00 0.00 H new ATOM 1595 N ILE A 102 -24.043 2.163 3.453 1.00 0.00 N ATOM 1596 CA ILE A 102 -24.298 3.355 4.243 1.00 0.00 C ATOM 1597 C ILE A 102 -25.598 3.172 5.028 1.00 0.00 C ATOM 1598 O ILE A 102 -26.234 2.123 4.946 1.00 0.00 O ATOM 1599 CB ILE A 102 -24.286 4.601 3.354 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -25.411 4.546 2.319 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -22.916 4.796 2.701 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -25.602 5.905 1.645 1.00 0.00 C ATOM 0 H ILE A 102 -24.566 2.111 2.579 1.00 0.00 H new ATOM 0 HA ILE A 102 -23.503 3.506 4.973 1.00 0.00 H new ATOM 0 HB ILE A 102 -24.469 5.472 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -25.181 3.792 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -26.340 4.242 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -22.935 5.688 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -22.157 4.912 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -22.678 3.927 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -26.408 5.838 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -25.856 6.652 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -24.679 6.195 1.143 1.00 0.00 H new ATOM 1614 N ASP A 103 -25.955 4.212 5.769 1.00 0.00 N ATOM 1615 CA ASP A 103 -27.170 4.179 6.569 1.00 0.00 C ATOM 1616 C ASP A 103 -27.841 5.552 6.523 1.00 0.00 C ATOM 1617 O ASP A 103 -27.308 6.489 5.930 1.00 0.00 O ATOM 1618 CB ASP A 103 -26.856 3.853 8.030 1.00 0.00 C ATOM 1619 CG ASP A 103 -27.477 2.555 8.551 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -28.637 2.288 8.169 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -26.778 1.860 9.319 1.00 0.00 O ATOM 0 H ASP A 103 -25.426 5.081 5.833 1.00 0.00 H new ATOM 0 HA ASP A 103 -27.824 3.409 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -25.774 3.794 8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -27.200 4.679 8.653 1.00 0.00 H new ATOM 1626 N SER A 104 -29.002 5.629 7.157 1.00 0.00 N ATOM 1627 CA SER A 104 -29.753 6.872 7.196 1.00 0.00 C ATOM 1628 C SER A 104 -30.062 7.341 5.773 1.00 0.00 C ATOM 1629 O SER A 104 -29.468 6.854 4.812 1.00 0.00 O ATOM 1630 CB SER A 104 -28.987 7.954 7.958 1.00 0.00 C ATOM 1631 OG SER A 104 -29.650 9.215 7.906 1.00 0.00 O ATOM 0 H SER A 104 -29.441 4.850 7.648 1.00 0.00 H new ATOM 0 HA SER A 104 -30.690 6.690 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 104 -28.868 7.650 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 104 -27.986 8.053 7.538 1.00 0.00 H new ATOM 0 HG SER A 104 -29.130 9.879 8.406 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.987 5.288 -17.735 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.637 7.103 -18.811 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.854 5.014 -20.972 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.443 3.280 -16.655 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.976 5.724 -14.493 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.636 5.921 -19.508 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.797 6.580 -19.787 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.978 6.705 -21.246 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.872 6.183 -21.865 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.035 5.708 -20.787 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.580 6.106 -23.362 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.208 7.269 -21.928 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.397 6.329 -21.800 1.00 0.00 C HETATM 1651 CGA HEM A 105 -11.984 4.872 -21.731 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.221 4.511 -20.816 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.380 4.086 -22.610 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.471 4.378 -18.607 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.124 4.380 -19.970 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.929 3.586 -20.210 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.574 3.045 -18.989 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.509 3.569 -18.021 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.294 3.325 -21.575 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.675 1.997 -18.683 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.374 1.800 -19.088 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.345 4.638 -15.963 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.290 3.772 -15.705 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.164 3.458 -14.266 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.172 4.156 -13.664 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.878 4.906 -14.713 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.110 2.496 -13.662 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.499 4.185 -12.300 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.524 4.267 -11.319 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.519 6.193 -16.827 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.757 6.322 -15.453 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.887 7.174 -15.194 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.313 7.592 -16.399 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.507 6.942 -17.425 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.515 7.502 -13.847 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.367 8.641 -16.659 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.723 7.996 -16.800 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.470 8.503 -18.011 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.797 8.900 -18.985 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.725 8.489 -18.000 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.518 6.031 -23.912 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.967 5.229 -23.568 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.047 7.003 -23.675 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.218 3.195 -21.457 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.487 4.172 -22.234 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.723 2.422 -22.009 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.862 1.725 -14.391 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.515 2.030 -12.764 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.211 3.056 -13.406 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.381 6.660 -13.168 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.580 7.695 -13.979 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.035 8.386 -13.428 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.825 0.922 -18.748 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -1.893 2.522 -19.748 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.809 4.288 -10.267 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.471 4.311 -11.599 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.063 6.474 -22.650 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.963 6.585 -20.904 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.993 7.444 -22.982 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.458 8.235 -21.489 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.312 8.191 -15.904 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.604 6.915 -16.874 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.124 9.194 -17.566 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.383 9.361 -15.841 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.474 7.693 -19.155 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.465 4.959 -21.978 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.659 2.614 -16.325 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.245 5.910 -13.464 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.074 1.226 -18.024 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.547 4.142 -12.004 1.00 0.00 H new