USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 123 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Set 2.1: A 76 SER OG : rot 161:sc= -1.39! USER MOD Set 2.2: A 78 TYR OH : rot 111:sc= -1.01! USER MOD Set 3.1: A 67 TYR OH : rot -52:sc= 0.0298 USER MOD Set 3.2: A 101 ASN : amide:sc= -4.17! C(o=-4.1!,f=-6.3!) USER MOD Set 4.1: A 50 ASN : amide:sc= 0.583 K(o=1.6,f=-3.3) USER MOD Set 4.2: A 51 ASN :FLIP amide:sc= 0.982 F(o=-1.5,f=1.6) USER MOD Set 5.1: A 27 ASN : amide:sc= 0 X(o=0.15,f=0.032) USER MOD Set 5.2: A 28 THR OG1 : rot -42:sc= 0.148! USER MOD Single : A 1 SER N :NH3+ -127:sc= 0.341 (180deg=0.0182) USER MOD Single : A 1 SER OG : rot 58:sc= -1.42 USER MOD Single : A 3 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.491! USER MOD Single : A 9 ASN : amide:sc= -0.089 X(o=-0.089,f=0) USER MOD Single : A 13 THR OG1 : rot -67:sc= 0.588! USER MOD Single : A 17 THR OG1 : rot -28:sc= 0.562 USER MOD Single : A 18 GLN : amide:sc= -1.09 K(o=-1.1,f=-4.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 32 SER OG : rot 1:sc= -2.58! USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 41 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.62) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 61:sc= 1.3 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.284 F(o=-0.83,f=-0.28) USER MOD Single : A 69 THR OG1 : rot 156:sc= 0.724 USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= -1.8 (180deg=-5.91!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 88 THR OG1 : rot -37:sc= -0.591 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 67:sc= 0.315 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -112:sc= 0.322 USER MOD Single : A 100 TYR OH : rot 180:sc= -4.36! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 108 THR OG1 : rot 90:sc= 0.0177 USER MOD Single : A 111 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.403 1.133 -0.931 1.00 0.00 N ATOM 2 CA SER A 1 6.518 2.035 -2.112 1.00 0.00 C ATOM 3 C SER A 1 7.400 3.232 -1.754 1.00 0.00 C ATOM 4 O SER A 1 7.105 3.982 -0.845 1.00 0.00 O ATOM 5 CB SER A 1 5.129 2.527 -2.514 1.00 0.00 C ATOM 6 OG SER A 1 4.406 1.458 -3.111 1.00 0.00 O ATOM 0 H1 SER A 1 6.664 0.165 -1.207 1.00 0.00 H new ATOM 0 H2 SER A 1 7.041 1.463 -0.179 1.00 0.00 H new ATOM 0 H3 SER A 1 5.423 1.141 -0.582 1.00 0.00 H new ATOM 0 HA SER A 1 6.965 1.490 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.595 2.899 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.214 3.359 -3.213 1.00 0.00 H new ATOM 0 HG SER A 1 4.349 0.710 -2.481 1.00 0.00 H new ATOM 14 N TRP A 2 8.481 3.417 -2.460 1.00 0.00 N ATOM 15 CA TRP A 2 9.378 4.566 -2.155 1.00 0.00 C ATOM 16 C TRP A 2 10.033 5.059 -3.451 1.00 0.00 C ATOM 17 O TRP A 2 10.142 4.335 -4.417 1.00 0.00 O ATOM 18 CB TRP A 2 10.450 4.127 -1.154 1.00 0.00 C ATOM 19 CG TRP A 2 9.880 3.084 -0.240 1.00 0.00 C ATOM 20 CD1 TRP A 2 10.052 1.749 -0.376 1.00 0.00 C ATOM 21 CD2 TRP A 2 9.047 3.269 0.942 1.00 0.00 C ATOM 22 NE1 TRP A 2 9.383 1.104 0.650 1.00 0.00 N ATOM 23 CE2 TRP A 2 8.747 1.998 1.488 1.00 0.00 C ATOM 24 CE3 TRP A 2 8.529 4.407 1.587 1.00 0.00 C ATOM 25 CZ2 TRP A 2 7.961 1.860 2.635 1.00 0.00 C ATOM 26 CZ3 TRP A 2 7.738 4.273 2.740 1.00 0.00 C ATOM 27 CH2 TRP A 2 7.455 3.002 3.263 1.00 0.00 C ATOM 0 H TRP A 2 8.781 2.823 -3.233 1.00 0.00 H new ATOM 0 HA TRP A 2 8.799 5.379 -1.718 1.00 0.00 H new ATOM 0 HB2 TRP A 2 11.316 3.729 -1.683 1.00 0.00 H new ATOM 0 HB3 TRP A 2 10.796 4.984 -0.576 1.00 0.00 H new ATOM 0 HD1 TRP A 2 10.619 1.265 -1.158 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.362 0.092 0.772 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.741 5.390 1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 7.746 0.879 3.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 7.345 5.153 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 2 6.847 2.906 4.150 1.00 0.00 H new ATOM 38 N GLN A 3 10.442 6.297 -3.480 1.00 0.00 N ATOM 39 CA GLN A 3 11.064 6.868 -4.713 1.00 0.00 C ATOM 40 C GLN A 3 11.980 5.847 -5.403 1.00 0.00 C ATOM 41 O GLN A 3 11.550 5.088 -6.248 1.00 0.00 O ATOM 42 CB GLN A 3 11.875 8.107 -4.336 1.00 0.00 C ATOM 43 CG GLN A 3 10.984 9.346 -4.441 1.00 0.00 C ATOM 44 CD GLN A 3 10.246 9.556 -3.117 1.00 0.00 C ATOM 45 OE1 GLN A 3 10.829 9.994 -2.145 1.00 0.00 O ATOM 46 NE2 GLN A 3 8.977 9.262 -3.038 1.00 0.00 N ATOM 0 H GLN A 3 10.372 6.945 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 3 10.268 7.132 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.262 8.008 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.736 8.207 -4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.588 10.223 -4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.268 9.225 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.487 8.894 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.475 9.400 -2.161 1.00 0.00 H new ATOM 55 N THR A 4 13.245 5.853 -5.075 1.00 0.00 N ATOM 56 CA THR A 4 14.202 4.913 -5.735 1.00 0.00 C ATOM 57 C THR A 4 13.760 3.459 -5.546 1.00 0.00 C ATOM 58 O THR A 4 13.715 2.691 -6.486 1.00 0.00 O ATOM 59 CB THR A 4 15.594 5.097 -5.126 1.00 0.00 C ATOM 60 OG1 THR A 4 16.001 6.449 -5.279 1.00 0.00 O ATOM 61 CG2 THR A 4 16.590 4.179 -5.838 1.00 0.00 C ATOM 0 H THR A 4 13.659 6.470 -4.376 1.00 0.00 H new ATOM 0 HA THR A 4 14.223 5.135 -6.802 1.00 0.00 H new ATOM 0 HB THR A 4 15.564 4.844 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.892 6.569 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.581 4.311 -5.404 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.277 3.142 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.622 4.430 -6.898 1.00 0.00 H new ATOM 69 N TYR A 5 13.448 3.070 -4.342 1.00 0.00 N ATOM 70 CA TYR A 5 13.029 1.658 -4.100 1.00 0.00 C ATOM 71 C TYR A 5 11.918 1.258 -5.082 1.00 0.00 C ATOM 72 O TYR A 5 11.666 0.088 -5.298 1.00 0.00 O ATOM 73 CB TYR A 5 12.531 1.521 -2.658 1.00 0.00 C ATOM 74 CG TYR A 5 13.634 1.917 -1.696 1.00 0.00 C ATOM 75 CD1 TYR A 5 14.959 2.015 -2.145 1.00 0.00 C ATOM 76 CD2 TYR A 5 13.331 2.183 -0.353 1.00 0.00 C ATOM 77 CE1 TYR A 5 15.977 2.378 -1.255 1.00 0.00 C ATOM 78 CE2 TYR A 5 14.351 2.546 0.536 1.00 0.00 C ATOM 79 CZ TYR A 5 15.673 2.644 0.085 1.00 0.00 C ATOM 80 OH TYR A 5 16.678 3.001 0.961 1.00 0.00 O ATOM 0 H TYR A 5 13.464 3.666 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 5 13.881 0.996 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 5 11.656 2.153 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 5 12.220 0.494 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.194 1.810 -3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.312 2.108 -0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.997 2.453 -1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.117 2.751 1.570 1.00 0.00 H new ATOM 0 HH TYR A 5 16.298 3.152 1.851 1.00 0.00 H new ATOM 90 N VAL A 6 11.257 2.210 -5.685 1.00 0.00 N ATOM 91 CA VAL A 6 10.173 1.870 -6.654 1.00 0.00 C ATOM 92 C VAL A 6 10.799 1.488 -8.006 1.00 0.00 C ATOM 93 O VAL A 6 10.414 0.520 -8.627 1.00 0.00 O ATOM 94 CB VAL A 6 9.231 3.090 -6.826 1.00 0.00 C ATOM 95 CG1 VAL A 6 8.910 3.345 -8.309 1.00 0.00 C ATOM 96 CG2 VAL A 6 7.917 2.833 -6.083 1.00 0.00 C ATOM 0 H VAL A 6 11.420 3.208 -5.549 1.00 0.00 H new ATOM 0 HA VAL A 6 9.594 1.026 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 6 9.740 3.964 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.248 4.207 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.834 3.542 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.420 2.468 -8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.256 3.691 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.436 1.944 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.122 2.681 -5.023 1.00 0.00 H new ATOM 106 N ASP A 7 11.731 2.267 -8.480 1.00 0.00 N ATOM 107 CA ASP A 7 12.342 1.973 -9.808 1.00 0.00 C ATOM 108 C ASP A 7 13.590 1.089 -9.683 1.00 0.00 C ATOM 109 O ASP A 7 14.626 1.409 -10.231 1.00 0.00 O ATOM 110 CB ASP A 7 12.734 3.291 -10.475 1.00 0.00 C ATOM 111 CG ASP A 7 11.486 4.153 -10.675 1.00 0.00 C ATOM 112 OD1 ASP A 7 10.449 3.594 -10.993 1.00 0.00 O ATOM 113 OD2 ASP A 7 11.587 5.357 -10.505 1.00 0.00 O ATOM 0 H ASP A 7 12.096 3.093 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 7 11.606 1.434 -10.405 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.460 3.821 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.212 3.097 -11.435 1.00 0.00 H new ATOM 118 N THR A 8 13.521 -0.021 -8.998 1.00 0.00 N ATOM 119 CA THR A 8 14.736 -0.878 -8.906 1.00 0.00 C ATOM 120 C THR A 8 14.383 -2.273 -8.368 1.00 0.00 C ATOM 121 O THR A 8 13.924 -3.128 -9.101 1.00 0.00 O ATOM 122 CB THR A 8 15.777 -0.204 -8.003 1.00 0.00 C ATOM 123 OG1 THR A 8 16.699 -1.178 -7.537 1.00 0.00 O ATOM 124 CG2 THR A 8 15.090 0.465 -6.809 1.00 0.00 C ATOM 0 H THR A 8 12.695 -0.365 -8.508 1.00 0.00 H new ATOM 0 HA THR A 8 15.154 -0.999 -9.905 1.00 0.00 H new ATOM 0 HB THR A 8 16.305 0.557 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.366 -0.748 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.840 0.939 -6.176 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.389 1.219 -7.168 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.551 -0.286 -6.232 1.00 0.00 H new ATOM 132 N ASN A 9 14.617 -2.521 -7.109 1.00 0.00 N ATOM 133 CA ASN A 9 14.321 -3.872 -6.540 1.00 0.00 C ATOM 134 C ASN A 9 13.019 -3.851 -5.739 1.00 0.00 C ATOM 135 O ASN A 9 12.103 -4.587 -6.024 1.00 0.00 O ATOM 136 CB ASN A 9 15.469 -4.291 -5.618 1.00 0.00 C ATOM 137 CG ASN A 9 15.764 -5.780 -5.814 1.00 0.00 C ATOM 138 OD1 ASN A 9 15.619 -6.565 -4.899 1.00 0.00 O ATOM 139 ND2 ASN A 9 16.175 -6.202 -6.977 1.00 0.00 N ATOM 0 H ASN A 9 15.001 -1.847 -6.446 1.00 0.00 H new ATOM 0 HA ASN A 9 14.215 -4.581 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.359 -3.701 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.205 -4.095 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.375 -7.192 -7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.297 -5.542 -7.745 1.00 0.00 H new ATOM 146 N LEU A 10 12.950 -3.034 -4.723 1.00 0.00 N ATOM 147 CA LEU A 10 11.724 -2.972 -3.870 1.00 0.00 C ATOM 148 C LEU A 10 10.464 -3.230 -4.701 1.00 0.00 C ATOM 149 O LEU A 10 9.505 -3.801 -4.220 1.00 0.00 O ATOM 150 CB LEU A 10 11.630 -1.591 -3.229 1.00 0.00 C ATOM 151 CG LEU A 10 11.717 -1.728 -1.709 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.629 -2.687 -1.222 1.00 0.00 C ATOM 153 CD2 LEU A 10 13.091 -2.280 -1.323 1.00 0.00 C ATOM 0 H LEU A 10 13.698 -2.399 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 10 11.795 -3.742 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.435 -0.953 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.692 -1.112 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 10 11.576 -0.751 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.690 -2.786 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.649 -2.295 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.772 -3.664 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.153 -2.377 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.233 -3.258 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.868 -1.599 -1.671 1.00 0.00 H new ATOM 165 N VAL A 11 10.451 -2.820 -5.939 1.00 0.00 N ATOM 166 CA VAL A 11 9.241 -3.055 -6.777 1.00 0.00 C ATOM 167 C VAL A 11 9.462 -4.277 -7.670 1.00 0.00 C ATOM 168 O VAL A 11 8.615 -5.144 -7.752 1.00 0.00 O ATOM 169 CB VAL A 11 8.968 -1.817 -7.645 1.00 0.00 C ATOM 170 CG1 VAL A 11 8.185 -2.211 -8.905 1.00 0.00 C ATOM 171 CG2 VAL A 11 8.144 -0.808 -6.847 1.00 0.00 C ATOM 0 H VAL A 11 11.219 -2.336 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 11 8.383 -3.236 -6.130 1.00 0.00 H new ATOM 0 HB VAL A 11 9.922 -1.377 -7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.999 -1.324 -9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.765 -2.930 -9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.234 -2.660 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.950 0.071 -7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.197 -1.262 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.696 -0.512 -5.955 1.00 0.00 H new ATOM 181 N GLY A 12 10.584 -4.350 -8.345 1.00 0.00 N ATOM 182 CA GLY A 12 10.842 -5.523 -9.232 1.00 0.00 C ATOM 183 C GLY A 12 10.358 -6.781 -8.518 1.00 0.00 C ATOM 184 O GLY A 12 9.680 -7.614 -9.086 1.00 0.00 O ATOM 0 H GLY A 12 11.327 -3.652 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.322 -5.402 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.905 -5.601 -9.459 1.00 0.00 H new ATOM 188 N THR A 13 10.684 -6.899 -7.261 1.00 0.00 N ATOM 189 CA THR A 13 10.237 -8.069 -6.464 1.00 0.00 C ATOM 190 C THR A 13 11.133 -8.226 -5.238 1.00 0.00 C ATOM 191 O THR A 13 11.455 -9.320 -4.823 1.00 0.00 O ATOM 192 CB THR A 13 10.307 -9.338 -7.305 1.00 0.00 C ATOM 193 OG1 THR A 13 10.392 -10.475 -6.458 1.00 0.00 O ATOM 194 CG2 THR A 13 11.530 -9.284 -8.226 1.00 0.00 C ATOM 0 H THR A 13 11.249 -6.223 -6.747 1.00 0.00 H new ATOM 0 HA THR A 13 9.206 -7.906 -6.149 1.00 0.00 H new ATOM 0 HB THR A 13 9.405 -9.413 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.254 -10.471 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.575 -10.194 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.451 -8.419 -8.885 1.00 0.00 H new ATOM 0 HG23 THR A 13 12.435 -9.201 -7.624 1.00 0.00 H new ATOM 202 N GLY A 14 11.505 -7.144 -4.618 1.00 0.00 N ATOM 203 CA GLY A 14 12.334 -7.257 -3.389 1.00 0.00 C ATOM 204 C GLY A 14 11.384 -7.487 -2.213 1.00 0.00 C ATOM 205 O GLY A 14 11.719 -7.248 -1.070 1.00 0.00 O ATOM 0 H GLY A 14 11.273 -6.193 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.041 -8.082 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.920 -6.350 -3.237 1.00 0.00 H new ATOM 209 N ALA A 15 10.188 -7.937 -2.509 1.00 0.00 N ATOM 210 CA ALA A 15 9.165 -8.178 -1.458 1.00 0.00 C ATOM 211 C ALA A 15 7.811 -8.046 -2.142 1.00 0.00 C ATOM 212 O ALA A 15 6.859 -8.732 -1.826 1.00 0.00 O ATOM 213 CB ALA A 15 9.286 -7.136 -0.344 1.00 0.00 C ATOM 0 H ALA A 15 9.877 -8.150 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 15 9.294 -9.161 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.529 -7.327 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.277 -7.198 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.138 -6.140 -0.760 1.00 0.00 H new ATOM 219 N VAL A 16 7.746 -7.172 -3.109 1.00 0.00 N ATOM 220 CA VAL A 16 6.495 -6.970 -3.877 1.00 0.00 C ATOM 221 C VAL A 16 6.877 -6.872 -5.355 1.00 0.00 C ATOM 222 O VAL A 16 7.822 -6.195 -5.711 1.00 0.00 O ATOM 223 CB VAL A 16 5.817 -5.674 -3.428 1.00 0.00 C ATOM 224 CG1 VAL A 16 5.652 -5.682 -1.908 1.00 0.00 C ATOM 225 CG2 VAL A 16 6.681 -4.481 -3.838 1.00 0.00 C ATOM 0 H VAL A 16 8.524 -6.581 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 16 5.802 -7.795 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 16 4.837 -5.596 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.169 -4.758 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.038 -6.533 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.631 -5.761 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.200 -3.556 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.660 -4.562 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.800 -4.473 -4.921 1.00 0.00 H new ATOM 235 N THR A 17 6.172 -7.543 -6.221 1.00 0.00 N ATOM 236 CA THR A 17 6.528 -7.478 -7.667 1.00 0.00 C ATOM 237 C THR A 17 6.010 -6.166 -8.259 1.00 0.00 C ATOM 238 O THR A 17 6.156 -5.907 -9.437 1.00 0.00 O ATOM 239 CB THR A 17 5.892 -8.659 -8.404 1.00 0.00 C ATOM 240 OG1 THR A 17 6.300 -8.642 -9.764 1.00 0.00 O ATOM 241 CG2 THR A 17 4.368 -8.552 -8.324 1.00 0.00 C ATOM 0 H THR A 17 5.370 -8.130 -5.994 1.00 0.00 H new ATOM 0 HA THR A 17 7.611 -7.524 -7.778 1.00 0.00 H new ATOM 0 HB THR A 17 6.213 -9.592 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.498 -7.721 -10.035 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.916 -9.393 -8.849 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.057 -8.567 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.044 -7.620 -8.786 1.00 0.00 H new ATOM 249 N GLN A 18 5.421 -5.333 -7.442 1.00 0.00 N ATOM 250 CA GLN A 18 4.895 -4.026 -7.939 1.00 0.00 C ATOM 251 C GLN A 18 4.664 -3.093 -6.750 1.00 0.00 C ATOM 252 O GLN A 18 4.461 -3.533 -5.635 1.00 0.00 O ATOM 253 CB GLN A 18 3.563 -4.237 -8.668 1.00 0.00 C ATOM 254 CG GLN A 18 3.748 -5.227 -9.819 1.00 0.00 C ATOM 255 CD GLN A 18 2.462 -5.299 -10.644 1.00 0.00 C ATOM 256 OE1 GLN A 18 1.515 -4.584 -10.381 1.00 0.00 O ATOM 257 NE2 GLN A 18 2.390 -6.140 -11.638 1.00 0.00 N ATOM 0 H GLN A 18 5.281 -5.502 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 18 5.619 -3.590 -8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.813 -4.612 -7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.194 -3.286 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.580 -4.915 -10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.997 -6.213 -9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.186 -6.739 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.538 -6.198 -12.196 1.00 0.00 H new ATOM 266 N ALA A 19 4.687 -1.807 -6.974 1.00 0.00 N ATOM 267 CA ALA A 19 4.461 -0.855 -5.847 1.00 0.00 C ATOM 268 C ALA A 19 4.017 0.501 -6.398 1.00 0.00 C ATOM 269 O ALA A 19 4.345 0.869 -7.509 1.00 0.00 O ATOM 270 CB ALA A 19 5.760 -0.684 -5.056 1.00 0.00 C ATOM 0 H ALA A 19 4.852 -1.375 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 19 3.684 -1.249 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.596 0.011 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.074 -1.649 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.537 -0.292 -5.712 1.00 0.00 H new ATOM 276 N ALA A 20 3.272 1.251 -5.629 1.00 0.00 N ATOM 277 CA ALA A 20 2.811 2.583 -6.110 1.00 0.00 C ATOM 278 C ALA A 20 2.918 3.601 -4.972 1.00 0.00 C ATOM 279 O ALA A 20 2.655 3.299 -3.826 1.00 0.00 O ATOM 280 CB ALA A 20 1.354 2.483 -6.574 1.00 0.00 C ATOM 0 H ALA A 20 2.964 0.998 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 20 3.435 2.905 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.017 3.458 -6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.279 1.759 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.728 2.161 -5.741 1.00 0.00 H new ATOM 286 N ILE A 21 3.301 4.808 -5.283 1.00 0.00 N ATOM 287 CA ILE A 21 3.422 5.853 -4.228 1.00 0.00 C ATOM 288 C ILE A 21 2.304 6.880 -4.409 1.00 0.00 C ATOM 289 O ILE A 21 2.513 7.945 -4.954 1.00 0.00 O ATOM 290 CB ILE A 21 4.776 6.554 -4.349 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.860 5.499 -4.658 1.00 0.00 C ATOM 292 CG2 ILE A 21 5.076 7.303 -3.043 1.00 0.00 C ATOM 293 CD1 ILE A 21 7.011 5.557 -3.642 1.00 0.00 C ATOM 0 H ILE A 21 3.536 5.117 -6.226 1.00 0.00 H new ATOM 0 HA ILE A 21 3.343 5.388 -3.245 1.00 0.00 H new ATOM 0 HB ILE A 21 4.762 7.281 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.414 4.504 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.252 5.662 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.040 7.804 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.297 8.043 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.104 6.594 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.755 4.800 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.473 6.544 -3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.623 5.368 -2.641 1.00 0.00 H new ATOM 305 N LEU A 22 1.120 6.573 -3.957 1.00 0.00 N ATOM 306 CA LEU A 22 -0.001 7.543 -4.109 1.00 0.00 C ATOM 307 C LEU A 22 0.343 8.815 -3.329 1.00 0.00 C ATOM 308 O LEU A 22 1.498 9.128 -3.123 1.00 0.00 O ATOM 309 CB LEU A 22 -1.303 6.933 -3.571 1.00 0.00 C ATOM 310 CG LEU A 22 -1.307 5.413 -3.786 1.00 0.00 C ATOM 311 CD1 LEU A 22 -2.732 4.873 -3.641 1.00 0.00 C ATOM 312 CD2 LEU A 22 -0.783 5.080 -5.187 1.00 0.00 C ATOM 0 H LEU A 22 0.880 5.698 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.142 7.781 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.406 7.157 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.159 7.381 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.662 4.951 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.730 3.794 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.106 5.097 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.377 5.344 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.789 4.000 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.422 5.549 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.235 5.454 -5.293 1.00 0.00 H new ATOM 324 N GLY A 23 -0.640 9.554 -2.892 1.00 0.00 N ATOM 325 CA GLY A 23 -0.341 10.802 -2.132 1.00 0.00 C ATOM 326 C GLY A 23 -1.372 10.995 -1.016 1.00 0.00 C ATOM 327 O GLY A 23 -2.548 10.747 -1.196 1.00 0.00 O ATOM 0 H GLY A 23 -1.630 9.350 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.661 10.748 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.356 11.660 -2.805 1.00 0.00 H new ATOM 331 N LEU A 24 -0.941 11.443 0.135 1.00 0.00 N ATOM 332 CA LEU A 24 -1.897 11.659 1.258 1.00 0.00 C ATOM 333 C LEU A 24 -2.818 12.831 0.918 1.00 0.00 C ATOM 334 O LEU A 24 -4.014 12.774 1.121 1.00 0.00 O ATOM 335 CB LEU A 24 -1.124 11.981 2.541 1.00 0.00 C ATOM 336 CG LEU A 24 -0.274 10.777 2.952 1.00 0.00 C ATOM 337 CD1 LEU A 24 0.983 11.263 3.678 1.00 0.00 C ATOM 338 CD2 LEU A 24 -1.081 9.879 3.892 1.00 0.00 C ATOM 0 H LEU A 24 0.032 11.668 0.344 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.488 10.755 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.486 12.851 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.819 12.236 3.341 1.00 0.00 H new ATOM 0 HG LEU A 24 0.010 10.215 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.589 10.405 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.561 11.906 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.696 11.825 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.475 9.021 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.364 10.443 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.979 9.532 3.381 1.00 0.00 H new ATOM 350 N ASP A 25 -2.267 13.898 0.402 1.00 0.00 N ATOM 351 CA ASP A 25 -3.109 15.074 0.049 1.00 0.00 C ATOM 352 C ASP A 25 -2.809 15.507 -1.389 1.00 0.00 C ATOM 353 O ASP A 25 -3.349 16.479 -1.881 1.00 0.00 O ATOM 354 CB ASP A 25 -2.799 16.230 1.004 1.00 0.00 C ATOM 355 CG ASP A 25 -3.994 17.183 1.059 1.00 0.00 C ATOM 356 OD1 ASP A 25 -5.090 16.746 0.748 1.00 0.00 O ATOM 357 OD2 ASP A 25 -3.792 18.334 1.410 1.00 0.00 O ATOM 0 H ASP A 25 -1.271 14.004 0.211 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.161 14.803 0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.582 15.844 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.910 16.764 0.669 1.00 0.00 H new ATOM 362 N GLY A 26 -1.951 14.795 -2.070 1.00 0.00 N ATOM 363 CA GLY A 26 -1.620 15.168 -3.475 1.00 0.00 C ATOM 364 C GLY A 26 -2.455 14.321 -4.437 1.00 0.00 C ATOM 365 O GLY A 26 -3.626 14.573 -4.643 1.00 0.00 O ATOM 0 H GLY A 26 -1.466 13.972 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.820 16.227 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.558 15.011 -3.664 1.00 0.00 H new ATOM 369 N ASN A 27 -1.863 13.319 -5.028 1.00 0.00 N ATOM 370 CA ASN A 27 -2.626 12.458 -5.974 1.00 0.00 C ATOM 371 C ASN A 27 -1.730 11.318 -6.467 1.00 0.00 C ATOM 372 O ASN A 27 -2.132 10.172 -6.497 1.00 0.00 O ATOM 373 CB ASN A 27 -3.091 13.297 -7.166 1.00 0.00 C ATOM 374 CG ASN A 27 -4.017 12.460 -8.049 1.00 0.00 C ATOM 375 OD1 ASN A 27 -3.591 11.909 -9.045 1.00 0.00 O ATOM 376 ND2 ASN A 27 -5.275 12.339 -7.726 1.00 0.00 N ATOM 0 H ASN A 27 -0.885 13.060 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.494 12.040 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.612 14.188 -6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.231 13.637 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.900 11.782 -8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.634 12.801 -6.890 1.00 0.00 H new ATOM 383 N THR A 28 -0.521 11.623 -6.856 1.00 0.00 N ATOM 384 CA THR A 28 0.395 10.553 -7.347 1.00 0.00 C ATOM 385 C THR A 28 1.824 11.098 -7.435 1.00 0.00 C ATOM 386 O THR A 28 2.105 12.004 -8.193 1.00 0.00 O ATOM 387 CB THR A 28 -0.058 10.093 -8.736 1.00 0.00 C ATOM 388 OG1 THR A 28 -1.465 9.900 -8.734 1.00 0.00 O ATOM 389 CG2 THR A 28 0.638 8.779 -9.093 1.00 0.00 C ATOM 0 H THR A 28 -0.129 12.565 -6.855 1.00 0.00 H new ATOM 0 HA THR A 28 0.370 9.711 -6.655 1.00 0.00 H new ATOM 0 HB THR A 28 0.204 10.852 -9.473 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.733 9.456 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.315 8.453 -10.082 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.718 8.928 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.378 8.018 -8.357 1.00 0.00 H new ATOM 397 N TRP A 29 2.728 10.551 -6.668 1.00 0.00 N ATOM 398 CA TRP A 29 4.139 11.036 -6.711 1.00 0.00 C ATOM 399 C TRP A 29 4.958 10.133 -7.636 1.00 0.00 C ATOM 400 O TRP A 29 5.859 10.577 -8.320 1.00 0.00 O ATOM 401 CB TRP A 29 4.732 10.999 -5.301 1.00 0.00 C ATOM 402 CG TRP A 29 4.127 12.091 -4.478 1.00 0.00 C ATOM 403 CD1 TRP A 29 2.887 12.600 -4.659 1.00 0.00 C ATOM 404 CD2 TRP A 29 4.708 12.816 -3.355 1.00 0.00 C ATOM 405 NE1 TRP A 29 2.670 13.592 -3.720 1.00 0.00 N ATOM 406 CE2 TRP A 29 3.763 13.762 -2.894 1.00 0.00 C ATOM 407 CE3 TRP A 29 5.951 12.747 -2.699 1.00 0.00 C ATOM 408 CZ2 TRP A 29 4.039 14.610 -1.820 1.00 0.00 C ATOM 409 CZ3 TRP A 29 6.233 13.598 -1.618 1.00 0.00 C ATOM 410 CH2 TRP A 29 5.279 14.527 -1.180 1.00 0.00 C ATOM 0 H TRP A 29 2.551 9.789 -6.013 1.00 0.00 H new ATOM 0 HA TRP A 29 4.164 12.059 -7.088 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.539 10.031 -4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.814 11.120 -5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.182 12.284 -5.413 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.808 14.132 -3.647 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.693 12.035 -3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.301 15.324 -1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.190 13.536 -1.121 1.00 0.00 H new ATOM 0 HH2 TRP A 29 5.502 15.179 -0.348 1.00 0.00 H new ATOM 421 N ALA A 30 4.646 8.868 -7.660 1.00 0.00 N ATOM 422 CA ALA A 30 5.392 7.920 -8.534 1.00 0.00 C ATOM 423 C ALA A 30 4.669 6.574 -8.524 1.00 0.00 C ATOM 424 O ALA A 30 3.758 6.366 -7.752 1.00 0.00 O ATOM 425 CB ALA A 30 6.814 7.734 -8.001 1.00 0.00 C ATOM 0 H ALA A 30 3.900 8.446 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 30 5.440 8.315 -9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.356 7.040 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.328 8.695 -7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.773 7.334 -6.988 1.00 0.00 H new ATOM 431 N THR A 31 5.056 5.660 -9.370 1.00 0.00 N ATOM 432 CA THR A 31 4.372 4.336 -9.382 1.00 0.00 C ATOM 433 C THR A 31 5.250 3.302 -10.086 1.00 0.00 C ATOM 434 O THR A 31 6.340 3.596 -10.532 1.00 0.00 O ATOM 435 CB THR A 31 3.034 4.462 -10.116 1.00 0.00 C ATOM 436 OG1 THR A 31 2.321 3.236 -10.014 1.00 0.00 O ATOM 437 CG2 THR A 31 3.287 4.788 -11.588 1.00 0.00 C ATOM 0 H THR A 31 5.810 5.770 -10.048 1.00 0.00 H new ATOM 0 HA THR A 31 4.196 4.012 -8.356 1.00 0.00 H new ATOM 0 HB THR A 31 2.446 5.262 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.464 3.316 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.334 4.878 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.832 5.729 -11.664 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.875 3.990 -12.041 1.00 0.00 H new ATOM 445 N SER A 32 4.775 2.091 -10.188 1.00 0.00 N ATOM 446 CA SER A 32 5.569 1.029 -10.861 1.00 0.00 C ATOM 447 C SER A 32 4.806 -0.291 -10.789 1.00 0.00 C ATOM 448 O SER A 32 5.207 -1.222 -10.119 1.00 0.00 O ATOM 449 CB SER A 32 6.913 0.876 -10.160 1.00 0.00 C ATOM 450 OG SER A 32 6.698 0.639 -8.776 1.00 0.00 O ATOM 0 H SER A 32 3.867 1.792 -9.832 1.00 0.00 H new ATOM 0 HA SER A 32 5.734 1.302 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.473 0.050 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.512 1.776 -10.298 1.00 0.00 H new ATOM 0 HG SER A 32 5.735 0.619 -8.593 1.00 0.00 H new ATOM 456 N ALA A 33 3.705 -0.374 -11.478 1.00 0.00 N ATOM 457 CA ALA A 33 2.900 -1.627 -11.460 1.00 0.00 C ATOM 458 C ALA A 33 2.331 -1.878 -12.856 1.00 0.00 C ATOM 459 O ALA A 33 2.279 -2.997 -13.324 1.00 0.00 O ATOM 460 CB ALA A 33 1.751 -1.481 -10.460 1.00 0.00 C ATOM 0 H ALA A 33 3.325 0.375 -12.056 1.00 0.00 H new ATOM 0 HA ALA A 33 3.532 -2.465 -11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.162 -2.398 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.156 -1.295 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.116 -0.646 -10.755 1.00 0.00 H new ATOM 466 N GLY A 34 1.904 -0.843 -13.526 1.00 0.00 N ATOM 467 CA GLY A 34 1.339 -1.019 -14.893 1.00 0.00 C ATOM 468 C GLY A 34 -0.188 -0.998 -14.818 1.00 0.00 C ATOM 469 O GLY A 34 -0.843 -0.248 -15.514 1.00 0.00 O ATOM 0 H GLY A 34 1.922 0.118 -13.185 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.693 -0.224 -15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.680 -1.962 -15.321 1.00 0.00 H new ATOM 473 N PHE A 35 -0.759 -1.815 -13.977 1.00 0.00 N ATOM 474 CA PHE A 35 -2.242 -1.840 -13.856 1.00 0.00 C ATOM 475 C PHE A 35 -2.738 -0.465 -13.398 1.00 0.00 C ATOM 476 O PHE A 35 -1.983 0.337 -12.884 1.00 0.00 O ATOM 477 CB PHE A 35 -2.653 -2.914 -12.838 1.00 0.00 C ATOM 478 CG PHE A 35 -2.478 -2.391 -11.430 1.00 0.00 C ATOM 479 CD1 PHE A 35 -1.302 -1.720 -11.069 1.00 0.00 C ATOM 480 CD2 PHE A 35 -3.495 -2.573 -10.487 1.00 0.00 C ATOM 481 CE1 PHE A 35 -1.146 -1.234 -9.766 1.00 0.00 C ATOM 482 CE2 PHE A 35 -3.338 -2.088 -9.184 1.00 0.00 C ATOM 483 CZ PHE A 35 -2.163 -1.417 -8.824 1.00 0.00 C ATOM 0 H PHE A 35 -0.262 -2.466 -13.369 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.687 -2.076 -14.823 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.692 -3.202 -13.001 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.048 -3.810 -12.979 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.516 -1.578 -11.796 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.402 -3.088 -10.765 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.239 -0.717 -9.488 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.123 -2.231 -8.456 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.042 -1.041 -7.819 1.00 0.00 H new ATOM 493 N ALA A 36 -4.000 -0.187 -13.575 1.00 0.00 N ATOM 494 CA ALA A 36 -4.537 1.134 -13.146 1.00 0.00 C ATOM 495 C ALA A 36 -5.415 0.947 -11.907 1.00 0.00 C ATOM 496 O ALA A 36 -6.051 -0.075 -11.736 1.00 0.00 O ATOM 497 CB ALA A 36 -5.375 1.738 -14.275 1.00 0.00 C ATOM 0 H ALA A 36 -4.682 -0.817 -13.998 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.709 1.803 -12.911 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.767 2.705 -13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.752 1.870 -15.160 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.203 1.070 -14.511 1.00 0.00 H new ATOM 503 N VAL A 37 -5.459 1.922 -11.043 1.00 0.00 N ATOM 504 CA VAL A 37 -6.301 1.797 -9.821 1.00 0.00 C ATOM 505 C VAL A 37 -7.590 2.599 -10.014 1.00 0.00 C ATOM 506 O VAL A 37 -7.656 3.496 -10.831 1.00 0.00 O ATOM 507 CB VAL A 37 -5.536 2.341 -8.614 1.00 0.00 C ATOM 508 CG1 VAL A 37 -6.388 2.176 -7.353 1.00 0.00 C ATOM 509 CG2 VAL A 37 -4.224 1.568 -8.444 1.00 0.00 C ATOM 0 H VAL A 37 -4.948 2.800 -11.130 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.544 0.748 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.317 3.397 -8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.843 2.564 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.321 2.727 -7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.607 1.120 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.681 1.958 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.442 0.511 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.615 1.684 -9.340 1.00 0.00 H new ATOM 519 N THR A 38 -8.615 2.283 -9.269 1.00 0.00 N ATOM 520 CA THR A 38 -9.898 3.027 -9.413 1.00 0.00 C ATOM 521 C THR A 38 -9.607 4.528 -9.531 1.00 0.00 C ATOM 522 O THR A 38 -8.662 5.020 -8.946 1.00 0.00 O ATOM 523 CB THR A 38 -10.772 2.774 -8.182 1.00 0.00 C ATOM 524 OG1 THR A 38 -11.971 3.534 -8.293 1.00 0.00 O ATOM 525 CG2 THR A 38 -10.010 3.191 -6.922 1.00 0.00 C ATOM 0 H THR A 38 -8.619 1.542 -8.568 1.00 0.00 H new ATOM 0 HA THR A 38 -10.419 2.686 -10.308 1.00 0.00 H new ATOM 0 HB THR A 38 -11.019 1.714 -8.118 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.534 3.373 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.631 3.011 -6.045 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.092 2.608 -6.842 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.763 4.251 -6.980 1.00 0.00 H new ATOM 533 N PRO A 39 -10.432 5.212 -10.285 1.00 0.00 N ATOM 534 CA PRO A 39 -10.282 6.664 -10.496 1.00 0.00 C ATOM 535 C PRO A 39 -10.340 7.405 -9.156 1.00 0.00 C ATOM 536 O PRO A 39 -9.985 8.565 -9.061 1.00 0.00 O ATOM 537 CB PRO A 39 -11.470 7.055 -11.388 1.00 0.00 C ATOM 538 CG PRO A 39 -12.251 5.759 -11.730 1.00 0.00 C ATOM 539 CD PRO A 39 -11.574 4.596 -10.987 1.00 0.00 C ATOM 0 HA PRO A 39 -9.327 6.922 -10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.116 7.766 -10.874 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.120 7.542 -12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.294 5.850 -11.428 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.245 5.581 -12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.260 4.122 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.242 3.823 -11.680 1.00 0.00 H new ATOM 547 N ALA A 40 -10.779 6.745 -8.120 1.00 0.00 N ATOM 548 CA ALA A 40 -10.857 7.408 -6.786 1.00 0.00 C ATOM 549 C ALA A 40 -9.757 6.847 -5.872 1.00 0.00 C ATOM 550 O ALA A 40 -10.035 6.293 -4.828 1.00 0.00 O ATOM 551 CB ALA A 40 -12.225 7.123 -6.164 1.00 0.00 C ATOM 0 H ALA A 40 -11.088 5.773 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.721 8.483 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.289 7.605 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.008 7.514 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.354 6.047 -6.046 1.00 0.00 H new ATOM 557 N GLN A 41 -8.509 6.975 -6.256 1.00 0.00 N ATOM 558 CA GLN A 41 -7.410 6.438 -5.405 1.00 0.00 C ATOM 559 C GLN A 41 -7.354 7.208 -4.087 1.00 0.00 C ATOM 560 O GLN A 41 -7.368 6.632 -3.017 1.00 0.00 O ATOM 561 CB GLN A 41 -6.079 6.598 -6.141 1.00 0.00 C ATOM 562 CG GLN A 41 -5.929 5.486 -7.181 1.00 0.00 C ATOM 563 CD GLN A 41 -4.926 5.923 -8.249 1.00 0.00 C ATOM 564 OE1 GLN A 41 -5.283 6.106 -9.396 1.00 0.00 O ATOM 565 NE2 GLN A 41 -3.676 6.099 -7.919 1.00 0.00 N ATOM 0 H GLN A 41 -8.209 7.427 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.594 5.384 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.036 7.572 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.253 6.559 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.590 4.568 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.894 5.269 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.376 5.945 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.999 6.390 -8.624 1.00 0.00 H new ATOM 574 N GLY A 42 -7.287 8.507 -4.155 1.00 0.00 N ATOM 575 CA GLY A 42 -7.224 9.317 -2.905 1.00 0.00 C ATOM 576 C GLY A 42 -8.615 9.395 -2.274 1.00 0.00 C ATOM 577 O GLY A 42 -8.772 9.804 -1.139 1.00 0.00 O ATOM 0 H GLY A 42 -7.273 9.045 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.520 8.868 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.858 10.319 -3.127 1.00 0.00 H new ATOM 581 N GLN A 43 -9.627 9.006 -2.999 1.00 0.00 N ATOM 582 CA GLN A 43 -11.010 9.055 -2.446 1.00 0.00 C ATOM 583 C GLN A 43 -11.329 7.729 -1.751 1.00 0.00 C ATOM 584 O GLN A 43 -12.210 7.647 -0.918 1.00 0.00 O ATOM 585 CB GLN A 43 -12.003 9.284 -3.589 1.00 0.00 C ATOM 586 CG GLN A 43 -13.432 9.081 -3.078 1.00 0.00 C ATOM 587 CD GLN A 43 -14.319 10.223 -3.576 1.00 0.00 C ATOM 588 OE1 GLN A 43 -15.127 10.037 -4.466 1.00 0.00 O ATOM 589 NE2 GLN A 43 -14.204 11.405 -3.036 1.00 0.00 N ATOM 0 H GLN A 43 -9.556 8.655 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.087 9.869 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.888 10.292 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.797 8.593 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.822 8.125 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.439 9.050 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.526 11.561 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.792 12.173 -3.360 1.00 0.00 H new ATOM 598 N THR A 44 -10.616 6.689 -2.088 1.00 0.00 N ATOM 599 CA THR A 44 -10.877 5.368 -1.451 1.00 0.00 C ATOM 600 C THR A 44 -10.016 5.228 -0.195 1.00 0.00 C ATOM 601 O THR A 44 -10.383 4.557 0.750 1.00 0.00 O ATOM 602 CB THR A 44 -10.524 4.252 -2.437 1.00 0.00 C ATOM 603 OG1 THR A 44 -11.348 4.360 -3.589 1.00 0.00 O ATOM 604 CG2 THR A 44 -10.748 2.893 -1.773 1.00 0.00 C ATOM 0 H THR A 44 -9.864 6.698 -2.777 1.00 0.00 H new ATOM 0 HA THR A 44 -11.930 5.296 -1.179 1.00 0.00 H new ATOM 0 HB THR A 44 -9.478 4.343 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.866 4.845 -4.291 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.496 2.099 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.114 2.811 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.793 2.800 -1.479 1.00 0.00 H new ATOM 612 N LEU A 45 -8.869 5.852 -0.177 1.00 0.00 N ATOM 613 CA LEU A 45 -7.981 5.752 1.015 1.00 0.00 C ATOM 614 C LEU A 45 -8.350 6.840 2.027 1.00 0.00 C ATOM 615 O LEU A 45 -8.368 6.612 3.220 1.00 0.00 O ATOM 616 CB LEU A 45 -6.527 5.939 0.578 1.00 0.00 C ATOM 617 CG LEU A 45 -5.920 4.584 0.213 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.773 3.734 1.475 1.00 0.00 C ATOM 619 CD2 LEU A 45 -6.836 3.867 -0.782 1.00 0.00 C ATOM 0 H LEU A 45 -8.509 6.428 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.104 4.773 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.478 6.612 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.953 6.401 1.381 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.940 4.735 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.340 2.768 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.121 4.245 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.753 3.582 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.404 2.901 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.817 3.716 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.940 4.473 -1.682 1.00 0.00 H new ATOM 631 N ALA A 46 -8.638 8.024 1.560 1.00 0.00 N ATOM 632 CA ALA A 46 -8.997 9.129 2.495 1.00 0.00 C ATOM 633 C ALA A 46 -10.405 8.904 3.056 1.00 0.00 C ATOM 634 O ALA A 46 -10.739 9.379 4.123 1.00 0.00 O ATOM 635 CB ALA A 46 -8.957 10.461 1.746 1.00 0.00 C ATOM 0 H ALA A 46 -8.640 8.274 0.571 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.282 9.147 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.219 11.270 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.954 10.628 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.669 10.436 0.921 1.00 0.00 H new ATOM 641 N SER A 47 -11.236 8.191 2.345 1.00 0.00 N ATOM 642 CA SER A 47 -12.621 7.947 2.843 1.00 0.00 C ATOM 643 C SER A 47 -12.644 6.689 3.714 1.00 0.00 C ATOM 644 O SER A 47 -13.550 6.486 4.498 1.00 0.00 O ATOM 645 CB SER A 47 -13.565 7.763 1.655 1.00 0.00 C ATOM 646 OG SER A 47 -14.910 7.811 2.114 1.00 0.00 O ATOM 0 H SER A 47 -11.017 7.768 1.443 1.00 0.00 H new ATOM 0 HA SER A 47 -12.945 8.801 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.393 8.544 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.370 6.810 1.164 1.00 0.00 H new ATOM 0 HG SER A 47 -15.519 7.695 1.355 1.00 0.00 H new ATOM 652 N ALA A 48 -11.661 5.840 3.585 1.00 0.00 N ATOM 653 CA ALA A 48 -11.641 4.598 4.410 1.00 0.00 C ATOM 654 C ALA A 48 -11.007 4.893 5.770 1.00 0.00 C ATOM 655 O ALA A 48 -11.109 4.112 6.695 1.00 0.00 O ATOM 656 CB ALA A 48 -10.823 3.520 3.695 1.00 0.00 C ATOM 0 H ALA A 48 -10.873 5.952 2.947 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.663 4.247 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.809 2.613 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.274 3.304 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.803 3.874 3.549 1.00 0.00 H new ATOM 662 N PHE A 49 -10.350 6.012 5.901 1.00 0.00 N ATOM 663 CA PHE A 49 -9.707 6.349 7.202 1.00 0.00 C ATOM 664 C PHE A 49 -10.779 6.766 8.214 1.00 0.00 C ATOM 665 O PHE A 49 -10.656 6.517 9.397 1.00 0.00 O ATOM 666 CB PHE A 49 -8.711 7.493 6.999 1.00 0.00 C ATOM 667 CG PHE A 49 -7.546 7.002 6.172 1.00 0.00 C ATOM 668 CD1 PHE A 49 -6.986 5.745 6.433 1.00 0.00 C ATOM 669 CD2 PHE A 49 -7.026 7.799 5.145 1.00 0.00 C ATOM 670 CE1 PHE A 49 -5.906 5.287 5.669 1.00 0.00 C ATOM 671 CE2 PHE A 49 -5.946 7.340 4.380 1.00 0.00 C ATOM 672 CZ PHE A 49 -5.387 6.084 4.642 1.00 0.00 C ATOM 0 H PHE A 49 -10.231 6.707 5.164 1.00 0.00 H new ATOM 0 HA PHE A 49 -9.178 5.475 7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.199 8.330 6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.358 7.859 7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.388 5.129 7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.458 8.768 4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.473 4.319 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.545 7.955 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.555 5.730 4.052 1.00 0.00 H new ATOM 682 N ASN A 50 -11.830 7.391 7.761 1.00 0.00 N ATOM 683 CA ASN A 50 -12.905 7.811 8.703 1.00 0.00 C ATOM 684 C ASN A 50 -13.990 6.731 8.747 1.00 0.00 C ATOM 685 O ASN A 50 -14.760 6.646 9.683 1.00 0.00 O ATOM 686 CB ASN A 50 -13.509 9.143 8.236 1.00 0.00 C ATOM 687 CG ASN A 50 -14.469 8.900 7.068 1.00 0.00 C ATOM 688 OD1 ASN A 50 -15.653 8.720 7.268 1.00 0.00 O ATOM 689 ND2 ASN A 50 -14.004 8.887 5.849 1.00 0.00 N ATOM 0 H ASN A 50 -11.991 7.629 6.782 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.487 7.942 9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.039 9.621 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.715 9.825 7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.635 8.726 5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.009 9.038 5.681 1.00 0.00 H new ATOM 696 N ASN A 51 -14.052 5.903 7.739 1.00 0.00 N ATOM 697 CA ASN A 51 -15.081 4.824 7.716 1.00 0.00 C ATOM 698 C ASN A 51 -14.411 3.491 7.365 1.00 0.00 C ATOM 699 O ASN A 51 -13.808 3.347 6.320 1.00 0.00 O ATOM 700 CB ASN A 51 -16.141 5.155 6.662 1.00 0.00 C ATOM 701 CG ASN A 51 -17.376 5.742 7.346 1.00 0.00 C ATOM 702 OD1 ASN A 51 -18.309 4.942 7.783 1.00 0.00 O flip ATOM 703 ND2 ASN A 51 -17.494 6.944 7.485 1.00 0.00 N flip ATOM 0 H ASN A 51 -13.433 5.928 6.929 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.553 4.748 8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.741 5.866 5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.412 4.256 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.765 7.571 7.144 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.322 7.326 7.943 1.00 0.00 H new ATOM 710 N ALA A 52 -14.510 2.516 8.228 1.00 0.00 N ATOM 711 CA ALA A 52 -13.879 1.195 7.940 1.00 0.00 C ATOM 712 C ALA A 52 -14.955 0.108 7.916 1.00 0.00 C ATOM 713 O ALA A 52 -14.699 -1.040 8.219 1.00 0.00 O ATOM 714 CB ALA A 52 -12.856 0.868 9.031 1.00 0.00 C ATOM 0 H ALA A 52 -15.001 2.577 9.120 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.381 1.237 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.395 -0.097 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.087 1.640 9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.356 0.828 9.999 1.00 0.00 H new ATOM 720 N ASP A 53 -16.159 0.464 7.564 1.00 0.00 N ATOM 721 CA ASP A 53 -17.254 -0.543 7.526 1.00 0.00 C ATOM 722 C ASP A 53 -17.128 -1.426 6.276 1.00 0.00 C ATOM 723 O ASP A 53 -17.151 -2.636 6.378 1.00 0.00 O ATOM 724 CB ASP A 53 -18.604 0.178 7.512 1.00 0.00 C ATOM 725 CG ASP A 53 -19.204 0.165 8.920 1.00 0.00 C ATOM 726 OD1 ASP A 53 -18.538 0.633 9.829 1.00 0.00 O ATOM 727 OD2 ASP A 53 -20.316 -0.312 9.064 1.00 0.00 O ATOM 0 H ASP A 53 -16.432 1.411 7.301 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.183 -1.177 8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.476 1.205 7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.282 -0.310 6.812 1.00 0.00 H new ATOM 732 N PRO A 54 -17.008 -0.799 5.130 1.00 0.00 N ATOM 733 CA PRO A 54 -16.889 -1.523 3.847 1.00 0.00 C ATOM 734 C PRO A 54 -15.594 -2.345 3.787 1.00 0.00 C ATOM 735 O PRO A 54 -15.359 -3.069 2.840 1.00 0.00 O ATOM 736 CB PRO A 54 -16.870 -0.424 2.777 1.00 0.00 C ATOM 737 CG PRO A 54 -16.927 0.943 3.502 1.00 0.00 C ATOM 738 CD PRO A 54 -16.986 0.671 5.013 1.00 0.00 C ATOM 0 HA PRO A 54 -17.707 -2.230 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.968 -0.497 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -17.718 -0.534 2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.051 1.543 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.801 1.509 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -16.123 1.096 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.874 1.117 5.461 1.00 0.00 H new ATOM 746 N ILE A 55 -14.746 -2.240 4.773 1.00 0.00 N ATOM 747 CA ILE A 55 -13.474 -3.020 4.738 1.00 0.00 C ATOM 748 C ILE A 55 -13.481 -4.087 5.835 1.00 0.00 C ATOM 749 O ILE A 55 -12.491 -4.745 6.074 1.00 0.00 O ATOM 750 CB ILE A 55 -12.269 -2.092 4.949 1.00 0.00 C ATOM 751 CG1 ILE A 55 -12.740 -0.699 5.382 1.00 0.00 C ATOM 752 CG2 ILE A 55 -11.482 -1.978 3.645 1.00 0.00 C ATOM 753 CD1 ILE A 55 -11.527 0.154 5.758 1.00 0.00 C ATOM 0 H ILE A 55 -14.876 -1.652 5.597 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.394 -3.498 3.762 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.633 -2.510 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.296 -0.224 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.419 -0.780 6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.626 -1.319 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.132 -2.965 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.125 -1.568 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.860 1.145 6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.990 -0.320 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.865 0.245 4.897 1.00 0.00 H new ATOM 765 N ARG A 56 -14.584 -4.270 6.505 1.00 0.00 N ATOM 766 CA ARG A 56 -14.629 -5.301 7.580 1.00 0.00 C ATOM 767 C ARG A 56 -15.300 -6.568 7.048 1.00 0.00 C ATOM 768 O ARG A 56 -15.133 -7.644 7.586 1.00 0.00 O ATOM 769 CB ARG A 56 -15.421 -4.764 8.774 1.00 0.00 C ATOM 770 CG ARG A 56 -14.620 -4.991 10.056 1.00 0.00 C ATOM 771 CD ARG A 56 -15.413 -4.467 11.253 1.00 0.00 C ATOM 772 NE ARG A 56 -14.891 -5.086 12.504 1.00 0.00 N ATOM 773 CZ ARG A 56 -15.197 -4.574 13.666 1.00 0.00 C ATOM 774 NH1 ARG A 56 -15.948 -3.508 13.735 1.00 0.00 N ATOM 775 NH2 ARG A 56 -14.746 -5.126 14.759 1.00 0.00 N ATOM 0 H ARG A 56 -15.451 -3.754 6.357 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.613 -5.536 7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.624 -3.701 8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -16.386 -5.267 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.410 -6.053 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.659 -4.481 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.331 -3.382 11.310 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.471 -4.701 11.133 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.294 -5.911 12.453 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.297 -3.074 12.881 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.186 -3.110 14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.156 -5.956 14.705 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.984 -4.728 15.667 1.00 0.00 H new ATOM 789 N ALA A 57 -16.058 -6.450 5.992 1.00 0.00 N ATOM 790 CA ALA A 57 -16.736 -7.649 5.426 1.00 0.00 C ATOM 791 C ALA A 57 -16.409 -7.766 3.936 1.00 0.00 C ATOM 792 O ALA A 57 -15.828 -8.736 3.492 1.00 0.00 O ATOM 793 CB ALA A 57 -18.249 -7.513 5.608 1.00 0.00 C ATOM 0 H ALA A 57 -16.237 -5.576 5.498 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.387 -8.542 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.746 -8.390 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.482 -7.432 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.599 -6.620 5.090 1.00 0.00 H new ATOM 799 N SER A 58 -16.776 -6.783 3.159 1.00 0.00 N ATOM 800 CA SER A 58 -16.482 -6.840 1.699 1.00 0.00 C ATOM 801 C SER A 58 -14.977 -7.011 1.491 1.00 0.00 C ATOM 802 O SER A 58 -14.498 -8.092 1.210 1.00 0.00 O ATOM 803 CB SER A 58 -16.944 -5.544 1.031 1.00 0.00 C ATOM 804 OG SER A 58 -17.161 -4.551 2.026 1.00 0.00 O ATOM 0 H SER A 58 -17.266 -5.945 3.472 1.00 0.00 H new ATOM 0 HA SER A 58 -17.011 -7.684 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.194 -5.202 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.862 -5.718 0.469 1.00 0.00 H new ATOM 0 HG SER A 58 -16.325 -4.384 2.509 1.00 0.00 H new ATOM 810 N GLY A 59 -14.226 -5.952 1.628 1.00 0.00 N ATOM 811 CA GLY A 59 -12.752 -6.055 1.438 1.00 0.00 C ATOM 812 C GLY A 59 -12.224 -4.754 0.831 1.00 0.00 C ATOM 813 O GLY A 59 -12.897 -3.744 0.824 1.00 0.00 O ATOM 0 H GLY A 59 -14.570 -5.021 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.264 -6.247 2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.517 -6.895 0.785 1.00 0.00 H new ATOM 817 N PHE A 60 -11.022 -4.771 0.323 1.00 0.00 N ATOM 818 CA PHE A 60 -10.453 -3.534 -0.282 1.00 0.00 C ATOM 819 C PHE A 60 -10.979 -3.369 -1.706 1.00 0.00 C ATOM 820 O PHE A 60 -11.600 -4.254 -2.256 1.00 0.00 O ATOM 821 CB PHE A 60 -8.928 -3.637 -0.324 1.00 0.00 C ATOM 822 CG PHE A 60 -8.358 -3.231 1.009 1.00 0.00 C ATOM 823 CD1 PHE A 60 -8.817 -2.069 1.640 1.00 0.00 C ATOM 824 CD2 PHE A 60 -7.371 -4.015 1.616 1.00 0.00 C ATOM 825 CE1 PHE A 60 -8.288 -1.691 2.878 1.00 0.00 C ATOM 826 CE2 PHE A 60 -6.842 -3.636 2.854 1.00 0.00 C ATOM 827 CZ PHE A 60 -7.301 -2.476 3.485 1.00 0.00 C ATOM 0 H PHE A 60 -10.410 -5.587 0.301 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.748 -2.675 0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.629 -4.657 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.532 -2.996 -1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.579 -1.465 1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.018 -4.912 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.641 -0.794 3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.079 -4.240 3.323 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.893 -2.185 4.442 1.00 0.00 H new ATOM 837 N ASP A 61 -10.722 -2.242 -2.308 1.00 0.00 N ATOM 838 CA ASP A 61 -11.195 -2.012 -3.701 1.00 0.00 C ATOM 839 C ASP A 61 -10.115 -1.253 -4.474 1.00 0.00 C ATOM 840 O ASP A 61 -9.965 -0.056 -4.334 1.00 0.00 O ATOM 841 CB ASP A 61 -12.485 -1.188 -3.676 1.00 0.00 C ATOM 842 CG ASP A 61 -13.689 -2.123 -3.798 1.00 0.00 C ATOM 843 OD1 ASP A 61 -13.600 -3.239 -3.311 1.00 0.00 O ATOM 844 OD2 ASP A 61 -14.680 -1.709 -4.376 1.00 0.00 O ATOM 0 H ASP A 61 -10.203 -1.468 -1.894 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.392 -2.968 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.547 -0.617 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.485 -0.468 -4.495 1.00 0.00 H new ATOM 849 N LEU A 62 -9.353 -1.940 -5.280 1.00 0.00 N ATOM 850 CA LEU A 62 -8.277 -1.254 -6.049 1.00 0.00 C ATOM 851 C LEU A 62 -8.412 -1.579 -7.539 1.00 0.00 C ATOM 852 O LEU A 62 -7.522 -2.144 -8.143 1.00 0.00 O ATOM 853 CB LEU A 62 -6.913 -1.727 -5.545 1.00 0.00 C ATOM 854 CG LEU A 62 -6.513 -0.911 -4.316 1.00 0.00 C ATOM 855 CD1 LEU A 62 -7.189 -1.491 -3.072 1.00 0.00 C ATOM 856 CD2 LEU A 62 -4.994 -0.962 -4.139 1.00 0.00 C ATOM 0 H LEU A 62 -9.429 -2.945 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.367 -0.177 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.954 -2.787 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.164 -1.614 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.829 0.123 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.902 -0.908 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.271 -1.453 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.875 -2.526 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.710 -0.380 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.678 -1.997 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.511 -0.546 -5.023 1.00 0.00 H new ATOM 868 N ALA A 63 -9.515 -1.215 -8.137 1.00 0.00 N ATOM 869 CA ALA A 63 -9.708 -1.491 -9.591 1.00 0.00 C ATOM 870 C ALA A 63 -9.876 -2.995 -9.821 1.00 0.00 C ATOM 871 O ALA A 63 -10.980 -3.494 -9.917 1.00 0.00 O ATOM 872 CB ALA A 63 -8.489 -0.991 -10.370 1.00 0.00 C ATOM 0 H ALA A 63 -10.292 -0.738 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.603 -0.974 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.629 -1.192 -11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.374 0.082 -10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.596 -1.506 -10.018 1.00 0.00 H new ATOM 878 N GLY A 64 -8.788 -3.716 -9.923 1.00 0.00 N ATOM 879 CA GLY A 64 -8.867 -5.189 -10.159 1.00 0.00 C ATOM 880 C GLY A 64 -10.024 -5.793 -9.360 1.00 0.00 C ATOM 881 O GLY A 64 -11.159 -5.794 -9.795 1.00 0.00 O ATOM 0 H GLY A 64 -7.841 -3.344 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.007 -5.387 -11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.929 -5.662 -9.868 1.00 0.00 H new ATOM 885 N VAL A 65 -9.749 -6.312 -8.198 1.00 0.00 N ATOM 886 CA VAL A 65 -10.837 -6.914 -7.380 1.00 0.00 C ATOM 887 C VAL A 65 -10.775 -6.345 -5.962 1.00 0.00 C ATOM 888 O VAL A 65 -10.394 -5.209 -5.757 1.00 0.00 O ATOM 889 CB VAL A 65 -10.669 -8.436 -7.334 1.00 0.00 C ATOM 890 CG1 VAL A 65 -12.040 -9.095 -7.181 1.00 0.00 C ATOM 891 CG2 VAL A 65 -10.018 -8.922 -8.632 1.00 0.00 C ATOM 0 H VAL A 65 -8.820 -6.346 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.802 -6.676 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.036 -8.703 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.921 -10.178 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.507 -8.753 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.670 -8.825 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.900 -10.005 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.650 -8.654 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.040 -8.454 -8.746 1.00 0.00 H new ATOM 901 N HIS A 66 -11.147 -7.119 -4.981 1.00 0.00 N ATOM 902 CA HIS A 66 -11.108 -6.609 -3.582 1.00 0.00 C ATOM 903 C HIS A 66 -10.214 -7.511 -2.728 1.00 0.00 C ATOM 904 O HIS A 66 -10.177 -8.713 -2.905 1.00 0.00 O ATOM 905 CB HIS A 66 -12.524 -6.597 -3.004 1.00 0.00 C ATOM 906 CG HIS A 66 -13.027 -8.009 -2.871 1.00 0.00 C ATOM 907 ND1 HIS A 66 -12.868 -8.950 -1.887 1.00 0.00 N flip ATOM 908 CD2 HIS A 66 -13.809 -8.609 -3.846 1.00 0.00 C flip ATOM 909 CE1 HIS A 66 -13.539 -10.118 -2.241 1.00 0.00 C flip ATOM 910 NE2 HIS A 66 -14.090 -9.858 -3.430 1.00 0.00 N flip ATOM 0 H HIS A 66 -11.475 -8.079 -5.086 1.00 0.00 H new ATOM 0 HA HIS A 66 -10.705 -5.596 -3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -12.526 -6.106 -2.031 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -13.187 -6.023 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -14.134 -8.156 -4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.601 -11.036 -1.676 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.654 -10.524 -3.958 1.00 0.00 H new ATOM 918 N TYR A 67 -9.495 -6.938 -1.800 1.00 0.00 N ATOM 919 CA TYR A 67 -8.603 -7.762 -0.931 1.00 0.00 C ATOM 920 C TYR A 67 -9.284 -7.987 0.421 1.00 0.00 C ATOM 921 O TYR A 67 -10.480 -7.822 0.557 1.00 0.00 O ATOM 922 CB TYR A 67 -7.273 -7.034 -0.720 1.00 0.00 C ATOM 923 CG TYR A 67 -6.565 -6.885 -2.045 1.00 0.00 C ATOM 924 CD1 TYR A 67 -6.468 -7.979 -2.914 1.00 0.00 C ATOM 925 CD2 TYR A 67 -6.007 -5.654 -2.405 1.00 0.00 C ATOM 926 CE1 TYR A 67 -5.810 -7.841 -4.143 1.00 0.00 C ATOM 927 CE2 TYR A 67 -5.350 -5.515 -3.634 1.00 0.00 C ATOM 928 CZ TYR A 67 -5.252 -6.609 -4.503 1.00 0.00 C ATOM 929 OH TYR A 67 -4.606 -6.472 -5.714 1.00 0.00 O ATOM 0 H TYR A 67 -9.486 -5.937 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.414 -8.723 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.449 -6.054 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.648 -7.591 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.900 -8.929 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.083 -4.810 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.733 -8.685 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.919 -4.564 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.934 -7.179 -5.808 1.00 0.00 H new ATOM 939 N VAL A 68 -8.537 -8.364 1.425 1.00 0.00 N ATOM 940 CA VAL A 68 -9.156 -8.598 2.758 1.00 0.00 C ATOM 941 C VAL A 68 -8.824 -7.422 3.684 1.00 0.00 C ATOM 942 O VAL A 68 -8.292 -6.416 3.257 1.00 0.00 O ATOM 943 CB VAL A 68 -8.619 -9.914 3.344 1.00 0.00 C ATOM 944 CG1 VAL A 68 -7.287 -9.676 4.061 1.00 0.00 C ATOM 945 CG2 VAL A 68 -9.636 -10.481 4.336 1.00 0.00 C ATOM 0 H VAL A 68 -7.530 -8.519 1.378 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.239 -8.673 2.659 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.459 -10.622 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.921 -10.618 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.559 -9.280 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.432 -8.961 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.257 -11.414 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.798 -9.764 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.579 -10.669 3.823 1.00 0.00 H new ATOM 955 N THR A 69 -9.136 -7.536 4.946 1.00 0.00 N ATOM 956 CA THR A 69 -8.839 -6.421 5.887 1.00 0.00 C ATOM 957 C THR A 69 -8.541 -6.989 7.276 1.00 0.00 C ATOM 958 O THR A 69 -9.266 -6.753 8.224 1.00 0.00 O ATOM 959 CB THR A 69 -10.052 -5.492 5.967 1.00 0.00 C ATOM 960 OG1 THR A 69 -10.725 -5.492 4.715 1.00 0.00 O ATOM 961 CG2 THR A 69 -9.592 -4.073 6.302 1.00 0.00 C ATOM 0 H THR A 69 -9.583 -8.352 5.365 1.00 0.00 H new ATOM 0 HA THR A 69 -7.973 -5.864 5.531 1.00 0.00 H new ATOM 0 HB THR A 69 -10.729 -5.842 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.663 -5.243 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.458 -3.414 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.075 -4.075 7.261 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.915 -3.717 5.525 1.00 0.00 H new ATOM 969 N LEU A 70 -7.480 -7.734 7.406 1.00 0.00 N ATOM 970 CA LEU A 70 -7.136 -8.313 8.734 1.00 0.00 C ATOM 971 C LEU A 70 -6.197 -7.357 9.472 1.00 0.00 C ATOM 972 O LEU A 70 -5.520 -7.734 10.408 1.00 0.00 O ATOM 973 CB LEU A 70 -6.439 -9.661 8.537 1.00 0.00 C ATOM 974 CG LEU A 70 -7.355 -10.787 9.020 1.00 0.00 C ATOM 975 CD1 LEU A 70 -7.653 -10.605 10.510 1.00 0.00 C ATOM 976 CD2 LEU A 70 -8.668 -10.751 8.233 1.00 0.00 C ATOM 0 H LEU A 70 -6.836 -7.967 6.650 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.045 -8.457 9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.193 -9.804 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.500 -9.680 9.089 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.860 -11.745 8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.306 -11.408 10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.720 -10.631 11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.146 -9.646 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.321 -11.553 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.160 -9.791 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.460 -10.883 7.171 1.00 0.00 H new ATOM 988 N ARG A 71 -6.149 -6.120 9.056 1.00 0.00 N ATOM 989 CA ARG A 71 -5.253 -5.138 9.729 1.00 0.00 C ATOM 990 C ARG A 71 -5.699 -3.716 9.377 1.00 0.00 C ATOM 991 O ARG A 71 -4.930 -2.923 8.872 1.00 0.00 O ATOM 992 CB ARG A 71 -3.815 -5.350 9.251 1.00 0.00 C ATOM 993 CG ARG A 71 -3.119 -6.375 10.150 1.00 0.00 C ATOM 994 CD ARG A 71 -1.630 -6.040 10.247 1.00 0.00 C ATOM 995 NE ARG A 71 -1.209 -6.034 11.677 1.00 0.00 N ATOM 996 CZ ARG A 71 0.061 -6.076 11.986 1.00 0.00 C ATOM 997 NH1 ARG A 71 0.965 -6.119 11.044 1.00 0.00 N ATOM 998 NH2 ARG A 71 0.427 -6.070 13.240 1.00 0.00 N ATOM 0 H ARG A 71 -6.693 -5.747 8.278 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.304 -5.280 10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.812 -5.697 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.272 -4.405 9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.569 -6.369 11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.251 -7.379 9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.046 -6.771 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.436 -5.066 9.797 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.912 -5.997 12.415 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.681 -6.120 10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.955 -6.152 11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.277 -6.033 13.977 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.417 -6.103 13.482 1.00 0.00 H new ATOM 1012 N ALA A 72 -6.936 -3.388 9.637 1.00 0.00 N ATOM 1013 CA ALA A 72 -7.426 -2.019 9.314 1.00 0.00 C ATOM 1014 C ALA A 72 -7.985 -1.358 10.578 1.00 0.00 C ATOM 1015 O ALA A 72 -9.167 -1.098 10.683 1.00 0.00 O ATOM 1016 CB ALA A 72 -8.529 -2.108 8.255 1.00 0.00 C ATOM 0 H ALA A 72 -7.627 -4.009 10.059 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.599 -1.422 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.888 -1.106 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.131 -2.573 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.354 -2.708 8.639 1.00 0.00 H new ATOM 1022 N ASP A 73 -7.144 -1.084 11.539 1.00 0.00 N ATOM 1023 CA ASP A 73 -7.629 -0.437 12.792 1.00 0.00 C ATOM 1024 C ASP A 73 -6.434 0.003 13.639 1.00 0.00 C ATOM 1025 O ASP A 73 -6.419 1.084 14.193 1.00 0.00 O ATOM 1026 CB ASP A 73 -8.476 -1.433 13.588 1.00 0.00 C ATOM 1027 CG ASP A 73 -9.751 -0.741 14.074 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -10.722 -0.743 13.335 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -9.735 -0.221 15.178 1.00 0.00 O ATOM 0 H ASP A 73 -6.143 -1.280 11.511 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.233 0.433 12.537 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.729 -2.291 12.965 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.908 -1.812 14.438 1.00 0.00 H new ATOM 1034 N ASP A 74 -5.432 -0.825 13.743 1.00 0.00 N ATOM 1035 CA ASP A 74 -4.239 -0.454 14.554 1.00 0.00 C ATOM 1036 C ASP A 74 -3.760 0.943 14.153 1.00 0.00 C ATOM 1037 O ASP A 74 -4.139 1.934 14.746 1.00 0.00 O ATOM 1038 CB ASP A 74 -3.119 -1.466 14.302 1.00 0.00 C ATOM 1039 CG ASP A 74 -3.267 -2.644 15.267 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -2.914 -2.486 16.424 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -3.729 -3.686 14.831 1.00 0.00 O ATOM 0 H ASP A 74 -5.388 -1.743 13.301 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.505 -0.457 15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.159 -1.819 13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.148 -0.991 14.438 1.00 0.00 H new ATOM 1046 N ARG A 75 -2.929 1.030 13.150 1.00 0.00 N ATOM 1047 CA ARG A 75 -2.426 2.361 12.709 1.00 0.00 C ATOM 1048 C ARG A 75 -2.249 2.359 11.190 1.00 0.00 C ATOM 1049 O ARG A 75 -2.866 3.130 10.482 1.00 0.00 O ATOM 1050 CB ARG A 75 -1.081 2.644 13.382 1.00 0.00 C ATOM 1051 CG ARG A 75 -1.322 3.212 14.781 1.00 0.00 C ATOM 1052 CD ARG A 75 -0.503 2.423 15.801 1.00 0.00 C ATOM 1053 NE ARG A 75 0.184 3.373 16.730 1.00 0.00 N ATOM 1054 CZ ARG A 75 0.869 4.388 16.274 1.00 0.00 C ATOM 1055 NH1 ARG A 75 1.145 4.492 15.000 1.00 0.00 N ATOM 1056 NH2 ARG A 75 1.330 5.279 17.108 1.00 0.00 N ATOM 0 H ARG A 75 -2.577 0.235 12.617 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.141 3.134 12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.494 1.728 13.446 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.505 3.351 12.785 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.042 4.265 14.810 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.382 3.157 15.029 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.152 1.752 16.364 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.232 1.801 15.290 1.00 0.00 H new ATOM 0 HE ARG A 75 0.117 3.226 17.737 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.825 3.775 14.349 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.681 5.290 14.658 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.155 5.180 18.108 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.866 6.074 16.760 1.00 0.00 H new ATOM 1070 N SER A 76 -1.421 1.487 10.682 1.00 0.00 N ATOM 1071 CA SER A 76 -1.213 1.423 9.208 1.00 0.00 C ATOM 1072 C SER A 76 -2.231 0.449 8.614 1.00 0.00 C ATOM 1073 O SER A 76 -3.191 0.079 9.260 1.00 0.00 O ATOM 1074 CB SER A 76 0.204 0.930 8.911 1.00 0.00 C ATOM 1075 OG SER A 76 1.143 1.887 9.384 1.00 0.00 O ATOM 0 H SER A 76 -0.879 0.815 11.225 1.00 0.00 H new ATOM 0 HA SER A 76 -1.344 2.412 8.769 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.375 -0.033 9.392 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.331 0.778 7.839 1.00 0.00 H new ATOM 0 HG SER A 76 2.021 1.463 9.482 1.00 0.00 H new ATOM 1081 N ILE A 77 -2.039 0.028 7.395 1.00 0.00 N ATOM 1082 CA ILE A 77 -3.011 -0.921 6.788 1.00 0.00 C ATOM 1083 C ILE A 77 -2.321 -1.738 5.699 1.00 0.00 C ATOM 1084 O ILE A 77 -2.064 -1.251 4.620 1.00 0.00 O ATOM 1085 CB ILE A 77 -4.172 -0.138 6.175 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -4.919 0.613 7.279 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -5.131 -1.107 5.484 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -6.238 1.158 6.726 1.00 0.00 C ATOM 0 H ILE A 77 -1.258 0.298 6.798 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.389 -1.592 7.559 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.785 0.574 5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.113 -0.054 8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.305 1.431 7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.959 -0.549 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.601 -1.645 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.518 -1.818 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.769 1.693 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.033 1.839 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.853 0.331 6.370 1.00 0.00 H new ATOM 1100 N TYR A 78 -2.024 -2.979 5.969 1.00 0.00 N ATOM 1101 CA TYR A 78 -1.356 -3.823 4.939 1.00 0.00 C ATOM 1102 C TYR A 78 -2.315 -4.935 4.505 1.00 0.00 C ATOM 1103 O TYR A 78 -2.435 -5.955 5.154 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.081 -4.437 5.529 1.00 0.00 C ATOM 1105 CG TYR A 78 0.568 -3.448 6.471 1.00 0.00 C ATOM 1106 CD1 TYR A 78 0.018 -3.228 7.741 1.00 0.00 C ATOM 1107 CD2 TYR A 78 1.721 -2.750 6.078 1.00 0.00 C ATOM 1108 CE1 TYR A 78 0.616 -2.315 8.615 1.00 0.00 C ATOM 1109 CE2 TYR A 78 2.318 -1.837 6.955 1.00 0.00 C ATOM 1110 CZ TYR A 78 1.766 -1.619 8.223 1.00 0.00 C ATOM 1111 OH TYR A 78 2.357 -0.720 9.087 1.00 0.00 O ATOM 0 H TYR A 78 -2.214 -3.444 6.856 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.091 -3.213 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.321 -5.358 6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.611 -4.702 4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.869 -3.764 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.147 -2.917 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.191 -2.146 9.593 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.205 -1.300 6.653 1.00 0.00 H new ATOM 0 HH TYR A 78 3.221 -1.073 9.386 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.010 -4.740 3.414 1.00 0.00 N ATOM 1122 CA GLY A 79 -3.971 -5.778 2.940 1.00 0.00 C ATOM 1123 C GLY A 79 -3.229 -7.087 2.656 1.00 0.00 C ATOM 1124 O GLY A 79 -2.128 -7.089 2.142 1.00 0.00 O ATOM 0 H GLY A 79 -2.953 -3.905 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.742 -5.943 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.476 -5.433 2.038 1.00 0.00 H new ATOM 1128 N LYS A 80 -3.828 -8.201 2.983 1.00 0.00 N ATOM 1129 CA LYS A 80 -3.161 -9.509 2.728 1.00 0.00 C ATOM 1130 C LYS A 80 -4.225 -10.587 2.498 1.00 0.00 C ATOM 1131 O LYS A 80 -5.095 -10.795 3.318 1.00 0.00 O ATOM 1132 CB LYS A 80 -2.301 -9.889 3.935 1.00 0.00 C ATOM 1133 CG LYS A 80 -3.171 -9.929 5.192 1.00 0.00 C ATOM 1134 CD LYS A 80 -3.343 -11.379 5.648 1.00 0.00 C ATOM 1135 CE LYS A 80 -2.959 -11.501 7.124 1.00 0.00 C ATOM 1136 NZ LYS A 80 -3.425 -10.293 7.861 1.00 0.00 N ATOM 0 H LYS A 80 -4.750 -8.261 3.415 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.528 -9.428 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.836 -10.861 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.494 -9.167 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.710 -9.340 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.144 -9.483 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.376 -11.697 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.719 -12.037 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.406 -12.397 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.878 -11.605 7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.768 -10.572 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.636 -9.624 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.197 -9.839 7.331 1.00 0.00 H new ATOM 1150 N LYS A 81 -4.163 -11.275 1.390 1.00 0.00 N ATOM 1151 CA LYS A 81 -5.174 -12.338 1.119 1.00 0.00 C ATOM 1152 C LYS A 81 -4.731 -13.176 -0.081 1.00 0.00 C ATOM 1153 O LYS A 81 -4.347 -12.655 -1.109 1.00 0.00 O ATOM 1154 CB LYS A 81 -6.528 -11.692 0.814 1.00 0.00 C ATOM 1155 CG LYS A 81 -7.645 -12.709 1.065 1.00 0.00 C ATOM 1156 CD LYS A 81 -8.674 -12.628 -0.066 1.00 0.00 C ATOM 1157 CE LYS A 81 -10.043 -12.267 0.515 1.00 0.00 C ATOM 1158 NZ LYS A 81 -11.069 -13.217 -0.002 1.00 0.00 N ATOM 0 H LYS A 81 -3.459 -11.148 0.663 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.265 -12.979 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.674 -10.813 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.556 -11.352 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.229 -13.715 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.125 -12.509 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.368 -11.880 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.730 -13.582 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.010 -12.308 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.308 -11.245 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.999 -12.972 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.106 -13.157 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.818 -14.186 0.280 1.00 0.00 H new ATOM 1172 N GLY A 82 -4.789 -14.474 0.040 1.00 0.00 N ATOM 1173 CA GLY A 82 -4.377 -15.348 -1.094 1.00 0.00 C ATOM 1174 C GLY A 82 -2.904 -15.107 -1.423 1.00 0.00 C ATOM 1175 O GLY A 82 -2.067 -15.019 -0.545 1.00 0.00 O ATOM 0 H GLY A 82 -5.104 -14.967 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.535 -16.395 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.993 -15.140 -1.968 1.00 0.00 H new ATOM 1179 N SER A 83 -2.579 -15.004 -2.682 1.00 0.00 N ATOM 1180 CA SER A 83 -1.159 -14.774 -3.071 1.00 0.00 C ATOM 1181 C SER A 83 -0.933 -13.284 -3.343 1.00 0.00 C ATOM 1182 O SER A 83 0.185 -12.836 -3.495 1.00 0.00 O ATOM 1183 CB SER A 83 -0.844 -15.577 -4.334 1.00 0.00 C ATOM 1184 OG SER A 83 -1.895 -16.505 -4.575 1.00 0.00 O ATOM 0 H SER A 83 -3.236 -15.069 -3.459 1.00 0.00 H new ATOM 0 HA SER A 83 -0.505 -15.095 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.732 -14.907 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.103 -16.104 -4.217 1.00 0.00 H new ATOM 0 HG SER A 83 -1.697 -17.020 -5.385 1.00 0.00 H new ATOM 1190 N ALA A 84 -1.985 -12.514 -3.403 1.00 0.00 N ATOM 1191 CA ALA A 84 -1.819 -11.055 -3.664 1.00 0.00 C ATOM 1192 C ALA A 84 -2.148 -10.269 -2.393 1.00 0.00 C ATOM 1193 O ALA A 84 -2.375 -10.834 -1.343 1.00 0.00 O ATOM 1194 CB ALA A 84 -2.761 -10.622 -4.789 1.00 0.00 C ATOM 0 H ALA A 84 -2.948 -12.829 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.789 -10.856 -3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.637 -9.556 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.526 -11.180 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.792 -10.822 -4.497 1.00 0.00 H new ATOM 1200 N GLY A 85 -2.171 -8.968 -2.482 1.00 0.00 N ATOM 1201 CA GLY A 85 -2.481 -8.142 -1.282 1.00 0.00 C ATOM 1202 C GLY A 85 -2.039 -6.701 -1.530 1.00 0.00 C ATOM 1203 O GLY A 85 -1.381 -6.404 -2.507 1.00 0.00 O ATOM 0 H GLY A 85 -1.988 -8.441 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.550 -8.175 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.970 -8.545 -0.407 1.00 0.00 H new ATOM 1207 N VAL A 86 -2.394 -5.801 -0.656 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.994 -4.378 -0.846 1.00 0.00 C ATOM 1209 C VAL A 86 -1.230 -3.892 0.387 1.00 0.00 C ATOM 1210 O VAL A 86 -1.413 -4.392 1.479 1.00 0.00 O ATOM 1211 CB VAL A 86 -3.244 -3.517 -1.039 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -4.233 -3.788 0.099 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -2.849 -2.039 -1.029 1.00 0.00 C ATOM 0 H VAL A 86 -2.944 -5.989 0.182 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.356 -4.297 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.712 -3.764 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.123 -3.174 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.514 -4.841 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.767 -3.541 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.738 -1.424 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.382 -1.794 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.145 -1.845 -1.838 1.00 0.00 H new ATOM 1223 N ILE A 87 -0.379 -2.918 0.222 1.00 0.00 N ATOM 1224 CA ILE A 87 0.392 -2.392 1.384 1.00 0.00 C ATOM 1225 C ILE A 87 0.214 -0.875 1.455 1.00 0.00 C ATOM 1226 O ILE A 87 0.915 -0.126 0.803 1.00 0.00 O ATOM 1227 CB ILE A 87 1.875 -2.725 1.210 1.00 0.00 C ATOM 1228 CG1 ILE A 87 2.063 -4.243 1.234 1.00 0.00 C ATOM 1229 CG2 ILE A 87 2.678 -2.091 2.348 1.00 0.00 C ATOM 1230 CD1 ILE A 87 1.763 -4.773 2.636 1.00 0.00 C ATOM 0 H ILE A 87 -0.183 -2.462 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 87 0.028 -2.850 2.304 1.00 0.00 H new ATOM 0 HB ILE A 87 2.226 -2.331 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.401 -4.713 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.083 -4.498 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.735 -2.328 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.544 -1.009 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.328 -2.483 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.897 -5.855 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.443 -4.312 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.735 -4.531 2.904 1.00 0.00 H new ATOM 1242 N THR A 88 -0.724 -0.413 2.235 1.00 0.00 N ATOM 1243 CA THR A 88 -0.952 1.054 2.336 1.00 0.00 C ATOM 1244 C THR A 88 -0.491 1.562 3.704 1.00 0.00 C ATOM 1245 O THR A 88 -0.853 1.027 4.732 1.00 0.00 O ATOM 1246 CB THR A 88 -2.443 1.354 2.154 1.00 0.00 C ATOM 1247 OG1 THR A 88 -3.100 1.270 3.411 1.00 0.00 O ATOM 1248 CG2 THR A 88 -3.057 0.341 1.186 1.00 0.00 C ATOM 0 H THR A 88 -1.342 -0.989 2.807 1.00 0.00 H new ATOM 0 HA THR A 88 -0.380 1.559 1.557 1.00 0.00 H new ATOM 0 HB THR A 88 -2.563 2.358 1.748 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.709 0.541 3.937 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.118 0.557 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.554 0.409 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.937 -0.665 1.588 1.00 0.00 H new ATOM 1256 N VAL A 89 0.302 2.597 3.718 1.00 0.00 N ATOM 1257 CA VAL A 89 0.785 3.155 5.014 1.00 0.00 C ATOM 1258 C VAL A 89 0.830 4.679 4.906 1.00 0.00 C ATOM 1259 O VAL A 89 1.140 5.226 3.866 1.00 0.00 O ATOM 1260 CB VAL A 89 2.187 2.618 5.316 1.00 0.00 C ATOM 1261 CG1 VAL A 89 2.467 2.734 6.816 1.00 0.00 C ATOM 1262 CG2 VAL A 89 2.269 1.149 4.896 1.00 0.00 C ATOM 0 H VAL A 89 0.638 3.082 2.886 1.00 0.00 H new ATOM 0 HA VAL A 89 0.112 2.860 5.819 1.00 0.00 H new ATOM 0 HB VAL A 89 2.925 3.198 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.465 2.352 7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.406 3.780 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.729 2.153 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.266 0.765 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.530 0.570 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.069 1.064 3.828 1.00 0.00 H new ATOM 1272 N LYS A 90 0.510 5.372 5.962 1.00 0.00 N ATOM 1273 CA LYS A 90 0.523 6.863 5.904 1.00 0.00 C ATOM 1274 C LYS A 90 1.774 7.400 6.599 1.00 0.00 C ATOM 1275 O LYS A 90 1.993 7.175 7.773 1.00 0.00 O ATOM 1276 CB LYS A 90 -0.721 7.427 6.601 1.00 0.00 C ATOM 1277 CG LYS A 90 -1.807 6.351 6.690 1.00 0.00 C ATOM 1278 CD LYS A 90 -3.119 6.980 7.165 1.00 0.00 C ATOM 1279 CE LYS A 90 -2.933 7.560 8.570 1.00 0.00 C ATOM 1280 NZ LYS A 90 -3.028 6.465 9.576 1.00 0.00 N ATOM 0 H LYS A 90 0.240 4.974 6.861 1.00 0.00 H new ATOM 0 HA LYS A 90 0.525 7.172 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.461 7.776 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.097 8.289 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.949 5.882 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.498 5.565 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.428 7.765 6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.911 6.231 7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.965 8.055 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.693 8.316 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.902 6.858 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.962 6.012 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.287 5.759 9.392 1.00 0.00 H new ATOM 1294 N THR A 91 2.589 8.122 5.882 1.00 0.00 N ATOM 1295 CA THR A 91 3.822 8.691 6.494 1.00 0.00 C ATOM 1296 C THR A 91 3.544 10.133 6.924 1.00 0.00 C ATOM 1297 O THR A 91 3.658 10.478 8.083 1.00 0.00 O ATOM 1298 CB THR A 91 4.959 8.674 5.473 1.00 0.00 C ATOM 1299 OG1 THR A 91 4.434 8.388 4.185 1.00 0.00 O ATOM 1300 CG2 THR A 91 5.981 7.604 5.860 1.00 0.00 C ATOM 0 H THR A 91 2.454 8.343 4.895 1.00 0.00 H new ATOM 0 HA THR A 91 4.110 8.095 7.360 1.00 0.00 H new ATOM 0 HB THR A 91 5.447 9.649 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.869 9.132 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.791 7.594 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.385 7.827 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.497 6.628 5.878 1.00 0.00 H new ATOM 1308 N SER A 92 3.171 10.975 5.996 1.00 0.00 N ATOM 1309 CA SER A 92 2.876 12.394 6.349 1.00 0.00 C ATOM 1310 C SER A 92 2.662 13.211 5.073 1.00 0.00 C ATOM 1311 O SER A 92 1.899 14.156 5.053 1.00 0.00 O ATOM 1312 CB SER A 92 4.047 12.985 7.136 1.00 0.00 C ATOM 1313 OG SER A 92 3.545 13.711 8.252 1.00 0.00 O ATOM 0 H SER A 92 3.058 10.741 5.010 1.00 0.00 H new ATOM 0 HA SER A 92 1.973 12.428 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.711 12.190 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.636 13.642 6.496 1.00 0.00 H new ATOM 0 HG SER A 92 4.293 14.090 8.759 1.00 0.00 H new ATOM 1319 N LYS A 93 3.334 12.864 4.006 1.00 0.00 N ATOM 1320 CA LYS A 93 3.164 13.638 2.742 1.00 0.00 C ATOM 1321 C LYS A 93 3.034 12.683 1.553 1.00 0.00 C ATOM 1322 O LYS A 93 2.931 13.105 0.418 1.00 0.00 O ATOM 1323 CB LYS A 93 4.377 14.545 2.534 1.00 0.00 C ATOM 1324 CG LYS A 93 4.388 15.635 3.607 1.00 0.00 C ATOM 1325 CD LYS A 93 3.309 16.672 3.292 1.00 0.00 C ATOM 1326 CE LYS A 93 3.969 17.969 2.824 1.00 0.00 C ATOM 1327 NZ LYS A 93 3.390 18.377 1.513 1.00 0.00 N ATOM 0 H LYS A 93 3.989 12.083 3.956 1.00 0.00 H new ATOM 0 HA LYS A 93 2.260 14.242 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.295 13.960 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.342 14.996 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.210 15.196 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.367 16.113 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.640 16.293 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.701 16.860 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.814 18.755 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.046 17.828 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.839 19.259 1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.560 17.629 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.366 18.528 1.617 1.00 0.00 H new ATOM 1341 N SER A 94 3.036 11.402 1.796 1.00 0.00 N ATOM 1342 CA SER A 94 2.910 10.435 0.668 1.00 0.00 C ATOM 1343 C SER A 94 2.352 9.109 1.186 1.00 0.00 C ATOM 1344 O SER A 94 2.626 8.702 2.298 1.00 0.00 O ATOM 1345 CB SER A 94 4.284 10.201 0.039 1.00 0.00 C ATOM 1346 OG SER A 94 5.139 11.289 0.362 1.00 0.00 O ATOM 0 H SER A 94 3.119 10.983 2.722 1.00 0.00 H new ATOM 0 HA SER A 94 2.232 10.843 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.710 9.267 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.190 10.106 -1.043 1.00 0.00 H new ATOM 0 HG SER A 94 5.341 11.799 -0.450 1.00 0.00 H new ATOM 1352 N ILE A 95 1.575 8.431 0.388 1.00 0.00 N ATOM 1353 CA ILE A 95 1.002 7.130 0.835 1.00 0.00 C ATOM 1354 C ILE A 95 1.730 5.986 0.125 1.00 0.00 C ATOM 1355 O ILE A 95 2.028 6.065 -1.050 1.00 0.00 O ATOM 1356 CB ILE A 95 -0.486 7.078 0.481 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -1.163 8.381 0.914 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -1.143 5.903 1.206 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -2.664 8.290 0.624 1.00 0.00 C ATOM 0 H ILE A 95 1.312 8.721 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 95 1.124 7.031 1.914 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.595 6.951 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.996 8.556 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.728 9.226 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.203 5.866 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.665 4.973 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.031 6.031 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.151 9.216 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.820 8.135 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.092 7.454 1.178 1.00 0.00 H new ATOM 1371 N LEU A 96 2.011 4.921 0.823 1.00 0.00 N ATOM 1372 CA LEU A 96 2.712 3.776 0.176 1.00 0.00 C ATOM 1373 C LEU A 96 1.672 2.788 -0.350 1.00 0.00 C ATOM 1374 O LEU A 96 0.564 2.721 0.144 1.00 0.00 O ATOM 1375 CB LEU A 96 3.613 3.067 1.195 1.00 0.00 C ATOM 1376 CG LEU A 96 4.644 4.037 1.800 1.00 0.00 C ATOM 1377 CD1 LEU A 96 4.956 5.182 0.829 1.00 0.00 C ATOM 1378 CD2 LEU A 96 4.098 4.611 3.110 1.00 0.00 C ATOM 0 H LEU A 96 1.787 4.794 1.810 1.00 0.00 H new ATOM 0 HA LEU A 96 3.326 4.147 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.001 2.641 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.130 2.238 0.712 1.00 0.00 H new ATOM 0 HG LEU A 96 5.565 3.487 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.687 5.853 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.361 4.774 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.042 5.734 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.828 5.298 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.169 5.145 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.908 3.799 3.812 1.00 0.00 H new ATOM 1390 N VAL A 97 2.016 2.021 -1.349 1.00 0.00 N ATOM 1391 CA VAL A 97 1.041 1.040 -1.897 1.00 0.00 C ATOM 1392 C VAL A 97 1.790 -0.166 -2.469 1.00 0.00 C ATOM 1393 O VAL A 97 1.797 -0.395 -3.661 1.00 0.00 O ATOM 1394 CB VAL A 97 0.215 1.703 -3.000 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -0.543 0.638 -3.796 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.788 2.665 -2.366 1.00 0.00 C ATOM 0 H VAL A 97 2.927 2.032 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 97 0.378 0.705 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 97 0.881 2.247 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.129 1.118 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.168 -0.054 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.209 0.090 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.380 3.141 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.448 2.113 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.253 3.428 -1.801 1.00 0.00 H new ATOM 1406 N GLY A 98 2.409 -0.946 -1.630 1.00 0.00 N ATOM 1407 CA GLY A 98 3.136 -2.143 -2.139 1.00 0.00 C ATOM 1408 C GLY A 98 2.110 -3.127 -2.698 1.00 0.00 C ATOM 1409 O GLY A 98 1.378 -3.756 -1.959 1.00 0.00 O ATOM 0 H GLY A 98 2.444 -0.809 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.846 -1.854 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.710 -2.608 -1.337 1.00 0.00 H new ATOM 1413 N VAL A 99 2.031 -3.260 -3.993 1.00 0.00 N ATOM 1414 CA VAL A 99 1.028 -4.196 -4.576 1.00 0.00 C ATOM 1415 C VAL A 99 1.747 -5.406 -5.180 1.00 0.00 C ATOM 1416 O VAL A 99 2.663 -5.269 -5.971 1.00 0.00 O ATOM 1417 CB VAL A 99 0.199 -3.484 -5.661 1.00 0.00 C ATOM 1418 CG1 VAL A 99 -1.277 -3.492 -5.258 1.00 0.00 C ATOM 1419 CG2 VAL A 99 0.656 -2.028 -5.828 1.00 0.00 C ATOM 0 H VAL A 99 2.613 -2.765 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 99 0.355 -4.531 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 99 0.340 -4.012 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.866 -2.988 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.620 -4.521 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.398 -2.972 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.057 -1.545 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.530 -1.497 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.706 -2.007 -6.119 1.00 0.00 H new ATOM 1429 N TYR A 100 1.341 -6.591 -4.807 1.00 0.00 N ATOM 1430 CA TYR A 100 1.996 -7.817 -5.350 1.00 0.00 C ATOM 1431 C TYR A 100 0.939 -8.901 -5.577 1.00 0.00 C ATOM 1432 O TYR A 100 -0.002 -9.028 -4.821 1.00 0.00 O ATOM 1433 CB TYR A 100 3.037 -8.334 -4.351 1.00 0.00 C ATOM 1434 CG TYR A 100 2.630 -7.958 -2.946 1.00 0.00 C ATOM 1435 CD1 TYR A 100 2.756 -6.634 -2.514 1.00 0.00 C ATOM 1436 CD2 TYR A 100 2.125 -8.934 -2.076 1.00 0.00 C ATOM 1437 CE1 TYR A 100 2.378 -6.282 -1.212 1.00 0.00 C ATOM 1438 CE2 TYR A 100 1.748 -8.583 -0.775 1.00 0.00 C ATOM 1439 CZ TYR A 100 1.874 -7.257 -0.342 1.00 0.00 C ATOM 1440 OH TYR A 100 1.501 -6.911 0.940 1.00 0.00 O ATOM 0 H TYR A 100 0.582 -6.763 -4.148 1.00 0.00 H new ATOM 0 HA TYR A 100 2.485 -7.574 -6.293 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.129 -9.417 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.016 -7.912 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.145 -5.882 -3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.027 -9.956 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.475 -5.259 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.360 -9.335 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 100 1.172 -7.705 1.411 1.00 0.00 H new ATOM 1450 N ASN A 101 1.087 -9.686 -6.610 1.00 0.00 N ATOM 1451 CA ASN A 101 0.084 -10.757 -6.873 1.00 0.00 C ATOM 1452 C ASN A 101 0.750 -11.937 -7.580 1.00 0.00 C ATOM 1453 O ASN A 101 1.197 -11.830 -8.706 1.00 0.00 O ATOM 1454 CB ASN A 101 -1.033 -10.211 -7.757 1.00 0.00 C ATOM 1455 CG ASN A 101 -1.266 -8.733 -7.436 1.00 0.00 C ATOM 1456 OD1 ASN A 101 -2.219 -8.388 -6.768 1.00 0.00 O ATOM 1457 ND2 ASN A 101 -0.428 -7.841 -7.889 1.00 0.00 N ATOM 0 H ASN A 101 1.855 -9.633 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.330 -11.091 -5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -0.769 -10.328 -8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.950 -10.778 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.574 -6.853 -7.682 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.373 -8.132 -8.450 1.00 0.00 H new ATOM 1464 N GLU A 102 0.809 -13.063 -6.930 1.00 0.00 N ATOM 1465 CA GLU A 102 1.433 -14.264 -7.552 1.00 0.00 C ATOM 1466 C GLU A 102 1.742 -15.298 -6.464 1.00 0.00 C ATOM 1467 O GLU A 102 1.234 -16.401 -6.486 1.00 0.00 O ATOM 1468 CB GLU A 102 2.725 -13.869 -8.270 1.00 0.00 C ATOM 1469 CG GLU A 102 3.421 -12.731 -7.516 1.00 0.00 C ATOM 1470 CD GLU A 102 4.876 -13.113 -7.236 1.00 0.00 C ATOM 1471 OE1 GLU A 102 5.298 -14.154 -7.712 1.00 0.00 O ATOM 1472 OE2 GLU A 102 5.544 -12.356 -6.552 1.00 0.00 O ATOM 0 H GLU A 102 0.449 -13.205 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 102 0.742 -14.693 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.390 -14.730 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.502 -13.557 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.382 -11.814 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.901 -12.531 -6.579 1.00 0.00 H new ATOM 1479 N LYS A 103 2.571 -14.950 -5.518 1.00 0.00 N ATOM 1480 CA LYS A 103 2.917 -15.902 -4.432 1.00 0.00 C ATOM 1481 C LYS A 103 3.800 -15.209 -3.394 1.00 0.00 C ATOM 1482 O LYS A 103 4.658 -15.820 -2.787 1.00 0.00 O ATOM 1483 CB LYS A 103 3.667 -17.085 -5.030 1.00 0.00 C ATOM 1484 CG LYS A 103 2.750 -18.298 -5.010 1.00 0.00 C ATOM 1485 CD LYS A 103 2.791 -18.928 -3.618 1.00 0.00 C ATOM 1486 CE LYS A 103 1.414 -19.495 -3.268 1.00 0.00 C ATOM 1487 NZ LYS A 103 0.810 -18.685 -2.172 1.00 0.00 N ATOM 0 H LYS A 103 3.025 -14.039 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 103 2.004 -16.248 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.976 -16.861 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.574 -17.286 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.731 -18.004 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.067 -19.022 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.539 -19.720 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.087 -18.183 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.768 -19.479 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.505 -20.536 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.126 -19.069 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.424 -18.722 -1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.710 -17.698 -2.484 1.00 0.00 H new ATOM 1501 N ILE A 104 3.596 -13.939 -3.179 1.00 0.00 N ATOM 1502 CA ILE A 104 4.423 -13.214 -2.175 1.00 0.00 C ATOM 1503 C ILE A 104 3.814 -13.421 -0.785 1.00 0.00 C ATOM 1504 O ILE A 104 3.057 -12.607 -0.297 1.00 0.00 O ATOM 1505 CB ILE A 104 4.452 -11.723 -2.527 1.00 0.00 C ATOM 1506 CG1 ILE A 104 5.238 -11.532 -3.828 1.00 0.00 C ATOM 1507 CG2 ILE A 104 5.130 -10.931 -1.408 1.00 0.00 C ATOM 1508 CD1 ILE A 104 5.325 -10.043 -4.159 1.00 0.00 C ATOM 0 H ILE A 104 2.893 -13.373 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 104 5.443 -13.597 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 104 3.431 -11.363 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.239 -11.951 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.750 -12.068 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.145 -9.873 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.577 -11.068 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.152 -11.287 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.884 -9.908 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.320 -9.638 -4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.832 -9.519 -3.349 1.00 0.00 H new ATOM 1520 N GLN A 105 4.135 -14.518 -0.152 1.00 0.00 N ATOM 1521 CA GLN A 105 3.576 -14.801 1.201 1.00 0.00 C ATOM 1522 C GLN A 105 3.860 -13.624 2.141 1.00 0.00 C ATOM 1523 O GLN A 105 4.854 -12.941 1.995 1.00 0.00 O ATOM 1524 CB GLN A 105 4.229 -16.065 1.765 1.00 0.00 C ATOM 1525 CG GLN A 105 3.242 -17.232 1.690 1.00 0.00 C ATOM 1526 CD GLN A 105 3.819 -18.435 2.439 1.00 0.00 C ATOM 1527 OE1 GLN A 105 4.971 -18.780 2.264 1.00 0.00 O ATOM 1528 NE2 GLN A 105 3.061 -19.092 3.273 1.00 0.00 N ATOM 0 H GLN A 105 4.764 -15.234 -0.517 1.00 0.00 H new ATOM 0 HA GLN A 105 2.499 -14.945 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.131 -16.302 1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.533 -15.899 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.286 -16.943 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.051 -17.495 0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.094 -18.802 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.435 -19.895 3.778 1.00 0.00 H new ATOM 1537 N PRO A 106 2.972 -13.429 3.085 1.00 0.00 N ATOM 1538 CA PRO A 106 3.099 -12.342 4.075 1.00 0.00 C ATOM 1539 C PRO A 106 4.332 -12.570 4.955 1.00 0.00 C ATOM 1540 O PRO A 106 4.798 -13.682 5.109 1.00 0.00 O ATOM 1541 CB PRO A 106 1.820 -12.431 4.918 1.00 0.00 C ATOM 1542 CG PRO A 106 1.003 -13.648 4.414 1.00 0.00 C ATOM 1543 CD PRO A 106 1.771 -14.270 3.238 1.00 0.00 C ATOM 0 HA PRO A 106 3.218 -11.365 3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.066 -12.547 5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.237 -11.515 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.871 -14.377 5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.007 -13.336 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.038 -15.307 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.170 -14.270 2.329 1.00 0.00 H new ATOM 1551 N GLY A 107 4.858 -11.528 5.537 1.00 0.00 N ATOM 1552 CA GLY A 107 6.056 -11.690 6.411 1.00 0.00 C ATOM 1553 C GLY A 107 7.307 -11.217 5.667 1.00 0.00 C ATOM 1554 O GLY A 107 8.396 -11.216 6.207 1.00 0.00 O ATOM 0 H GLY A 107 4.512 -10.573 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.928 -11.116 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.167 -12.735 6.701 1.00 0.00 H new ATOM 1558 N THR A 108 7.165 -10.819 4.434 1.00 0.00 N ATOM 1559 CA THR A 108 8.351 -10.351 3.663 1.00 0.00 C ATOM 1560 C THR A 108 8.119 -8.915 3.191 1.00 0.00 C ATOM 1561 O THR A 108 9.014 -8.095 3.205 1.00 0.00 O ATOM 1562 CB THR A 108 8.562 -11.256 2.447 1.00 0.00 C ATOM 1563 OG1 THR A 108 8.051 -12.552 2.733 1.00 0.00 O ATOM 1564 CG2 THR A 108 10.055 -11.348 2.132 1.00 0.00 C ATOM 0 H THR A 108 6.280 -10.797 3.927 1.00 0.00 H new ATOM 0 HA THR A 108 9.234 -10.388 4.301 1.00 0.00 H new ATOM 0 HB THR A 108 8.039 -10.841 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.106 -12.595 2.476 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.205 -11.993 1.266 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.443 -10.353 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.583 -11.764 2.990 1.00 0.00 H new ATOM 1572 N ALA A 109 6.923 -8.605 2.774 1.00 0.00 N ATOM 1573 CA ALA A 109 6.637 -7.222 2.305 1.00 0.00 C ATOM 1574 C ALA A 109 6.316 -6.333 3.507 1.00 0.00 C ATOM 1575 O ALA A 109 6.536 -5.139 3.485 1.00 0.00 O ATOM 1576 CB ALA A 109 5.442 -7.242 1.349 1.00 0.00 C ATOM 0 H ALA A 109 6.133 -9.249 2.738 1.00 0.00 H new ATOM 0 HA ALA A 109 7.510 -6.827 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.233 -6.229 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.672 -7.875 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.568 -7.637 1.867 1.00 0.00 H new ATOM 1582 N ALA A 110 5.801 -6.905 4.561 1.00 0.00 N ATOM 1583 CA ALA A 110 5.472 -6.091 5.762 1.00 0.00 C ATOM 1584 C ALA A 110 6.734 -5.903 6.606 1.00 0.00 C ATOM 1585 O ALA A 110 6.829 -4.993 7.405 1.00 0.00 O ATOM 1586 CB ALA A 110 4.405 -6.809 6.592 1.00 0.00 C ATOM 0 H ALA A 110 5.594 -7.901 4.641 1.00 0.00 H new ATOM 0 HA ALA A 110 5.092 -5.118 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.165 -6.211 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.507 -6.946 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.782 -7.782 6.906 1.00 0.00 H new ATOM 1592 N ASN A 111 7.706 -6.757 6.436 1.00 0.00 N ATOM 1593 CA ASN A 111 8.962 -6.627 7.230 1.00 0.00 C ATOM 1594 C ASN A 111 9.837 -5.529 6.621 1.00 0.00 C ATOM 1595 O ASN A 111 10.599 -4.876 7.307 1.00 0.00 O ATOM 1596 CB ASN A 111 9.721 -7.955 7.205 1.00 0.00 C ATOM 1597 CG ASN A 111 11.007 -7.824 8.023 1.00 0.00 C ATOM 1598 OD1 ASN A 111 11.862 -7.021 7.708 1.00 0.00 O ATOM 1599 ND2 ASN A 111 11.182 -8.587 9.068 1.00 0.00 N ATOM 0 H ASN A 111 7.685 -7.539 5.782 1.00 0.00 H new ATOM 0 HA ASN A 111 8.716 -6.368 8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.097 -8.750 7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.958 -8.231 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.036 -8.508 9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.464 -9.262 9.333 1.00 0.00 H new ATOM 1606 N VAL A 112 9.732 -5.320 5.339 1.00 0.00 N ATOM 1607 CA VAL A 112 10.555 -4.265 4.686 1.00 0.00 C ATOM 1608 C VAL A 112 9.870 -2.907 4.858 1.00 0.00 C ATOM 1609 O VAL A 112 10.511 -1.902 5.085 1.00 0.00 O ATOM 1610 CB VAL A 112 10.709 -4.594 3.206 1.00 0.00 C ATOM 1611 CG1 VAL A 112 11.114 -3.343 2.422 1.00 0.00 C ATOM 1612 CG2 VAL A 112 11.786 -5.668 3.036 1.00 0.00 C ATOM 0 H VAL A 112 9.111 -5.835 4.714 1.00 0.00 H new ATOM 0 HA VAL A 112 11.542 -4.224 5.147 1.00 0.00 H new ATOM 0 HB VAL A 112 9.756 -4.958 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.220 -3.594 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.347 -2.577 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.063 -2.966 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.899 -5.906 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.734 -5.298 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.494 -6.566 3.581 1.00 0.00 H new ATOM 1622 N VAL A 113 8.571 -2.867 4.754 1.00 0.00 N ATOM 1623 CA VAL A 113 7.854 -1.571 4.915 1.00 0.00 C ATOM 1624 C VAL A 113 7.949 -1.114 6.373 1.00 0.00 C ATOM 1625 O VAL A 113 7.702 0.033 6.691 1.00 0.00 O ATOM 1626 CB VAL A 113 6.384 -1.751 4.526 1.00 0.00 C ATOM 1627 CG1 VAL A 113 5.570 -0.549 5.011 1.00 0.00 C ATOM 1628 CG2 VAL A 113 6.271 -1.856 3.003 1.00 0.00 C ATOM 0 H VAL A 113 7.976 -3.673 4.565 1.00 0.00 H new ATOM 0 HA VAL A 113 8.309 -0.819 4.271 1.00 0.00 H new ATOM 0 HB VAL A 113 5.998 -2.660 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.525 -0.681 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.649 -0.470 6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.956 0.361 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.225 -1.984 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.660 -0.946 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.847 -2.713 2.654 1.00 0.00 H new ATOM 1638 N GLU A 114 8.304 -2.000 7.261 1.00 0.00 N ATOM 1639 CA GLU A 114 8.414 -1.614 8.697 1.00 0.00 C ATOM 1640 C GLU A 114 9.760 -0.929 8.943 1.00 0.00 C ATOM 1641 O GLU A 114 9.822 0.184 9.424 1.00 0.00 O ATOM 1642 CB GLU A 114 8.311 -2.865 9.573 1.00 0.00 C ATOM 1643 CG GLU A 114 6.934 -2.919 10.239 1.00 0.00 C ATOM 1644 CD GLU A 114 5.849 -2.631 9.200 1.00 0.00 C ATOM 1645 OE1 GLU A 114 6.098 -2.868 8.030 1.00 0.00 O ATOM 1646 OE2 GLU A 114 4.786 -2.177 9.594 1.00 0.00 O ATOM 0 H GLU A 114 8.523 -2.975 7.055 1.00 0.00 H new ATOM 0 HA GLU A 114 7.606 -0.927 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.468 -3.758 8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.092 -2.854 10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.773 -3.900 10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.881 -2.189 11.047 1.00 0.00 H new ATOM 1653 N LYS A 115 10.839 -1.588 8.620 1.00 0.00 N ATOM 1654 CA LYS A 115 12.180 -0.977 8.840 1.00 0.00 C ATOM 1655 C LYS A 115 12.482 0.024 7.722 1.00 0.00 C ATOM 1656 O LYS A 115 12.819 1.164 7.973 1.00 0.00 O ATOM 1657 CB LYS A 115 13.246 -2.075 8.841 1.00 0.00 C ATOM 1658 CG LYS A 115 14.509 -1.562 9.535 1.00 0.00 C ATOM 1659 CD LYS A 115 15.602 -2.630 9.457 1.00 0.00 C ATOM 1660 CE LYS A 115 15.922 -3.136 10.865 1.00 0.00 C ATOM 1661 NZ LYS A 115 16.719 -4.391 10.771 1.00 0.00 N ATOM 0 H LYS A 115 10.850 -2.523 8.213 1.00 0.00 H new ATOM 0 HA LYS A 115 12.187 -0.459 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.871 -2.960 9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.476 -2.373 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.850 -0.642 9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.293 -1.322 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.273 -3.457 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.498 -2.215 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.479 -2.379 11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.999 -3.319 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.937 -4.736 11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.172 -5.112 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.605 -4.202 10.261 1.00 0.00 H new ATOM 1675 N LEU A 116 12.370 -0.391 6.491 1.00 0.00 N ATOM 1676 CA LEU A 116 12.657 0.540 5.363 1.00 0.00 C ATOM 1677 C LEU A 116 11.855 1.830 5.548 1.00 0.00 C ATOM 1678 O LEU A 116 12.380 2.921 5.427 1.00 0.00 O ATOM 1679 CB LEU A 116 12.269 -0.123 4.040 1.00 0.00 C ATOM 1680 CG LEU A 116 13.300 0.236 2.970 1.00 0.00 C ATOM 1681 CD1 LEU A 116 14.519 -0.679 3.107 1.00 0.00 C ATOM 1682 CD2 LEU A 116 12.680 0.051 1.583 1.00 0.00 C ATOM 0 H LEU A 116 12.092 -1.333 6.217 1.00 0.00 H new ATOM 0 HA LEU A 116 13.721 0.776 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.219 -1.205 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.278 0.209 3.731 1.00 0.00 H new ATOM 0 HG LEU A 116 13.608 1.274 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.254 -0.423 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.962 -0.550 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.211 -1.717 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.414 0.307 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.372 -0.987 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.811 0.701 1.483 1.00 0.00 H new ATOM 1694 N ALA A 117 10.590 1.721 5.847 1.00 0.00 N ATOM 1695 CA ALA A 117 9.773 2.948 6.044 1.00 0.00 C ATOM 1696 C ALA A 117 10.243 3.662 7.310 1.00 0.00 C ATOM 1697 O ALA A 117 10.261 4.874 7.381 1.00 0.00 O ATOM 1698 CB ALA A 117 8.296 2.568 6.183 1.00 0.00 C ATOM 0 H ALA A 117 10.090 0.840 5.963 1.00 0.00 H new ATOM 0 HA ALA A 117 9.890 3.609 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.700 3.469 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.966 2.055 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.169 1.908 7.041 1.00 0.00 H new ATOM 1704 N ASP A 118 10.631 2.921 8.313 1.00 0.00 N ATOM 1705 CA ASP A 118 11.104 3.561 9.572 1.00 0.00 C ATOM 1706 C ASP A 118 12.105 4.667 9.231 1.00 0.00 C ATOM 1707 O ASP A 118 12.278 5.612 9.974 1.00 0.00 O ATOM 1708 CB ASP A 118 11.783 2.512 10.455 1.00 0.00 C ATOM 1709 CG ASP A 118 12.317 3.180 11.722 1.00 0.00 C ATOM 1710 OD1 ASP A 118 11.738 4.170 12.136 1.00 0.00 O ATOM 1711 OD2 ASP A 118 13.296 2.688 12.259 1.00 0.00 O ATOM 0 H ASP A 118 10.640 1.901 8.314 1.00 0.00 H new ATOM 0 HA ASP A 118 10.255 3.988 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 118 11.073 1.727 10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.599 2.036 9.911 1.00 0.00 H new ATOM 1716 N TYR A 119 12.764 4.557 8.110 1.00 0.00 N ATOM 1717 CA TYR A 119 13.750 5.601 7.719 1.00 0.00 C ATOM 1718 C TYR A 119 13.010 6.785 7.093 1.00 0.00 C ATOM 1719 O TYR A 119 13.200 7.923 7.476 1.00 0.00 O ATOM 1720 CB TYR A 119 14.730 5.013 6.699 1.00 0.00 C ATOM 1721 CG TYR A 119 15.816 6.018 6.392 1.00 0.00 C ATOM 1722 CD1 TYR A 119 16.633 6.503 7.420 1.00 0.00 C ATOM 1723 CD2 TYR A 119 16.007 6.463 5.079 1.00 0.00 C ATOM 1724 CE1 TYR A 119 17.641 7.432 7.134 1.00 0.00 C ATOM 1725 CE2 TYR A 119 17.015 7.390 4.793 1.00 0.00 C ATOM 1726 CZ TYR A 119 17.832 7.875 5.821 1.00 0.00 C ATOM 1727 OH TYR A 119 18.826 8.791 5.538 1.00 0.00 O ATOM 0 H TYR A 119 12.661 3.788 7.448 1.00 0.00 H new ATOM 0 HA TYR A 119 14.298 5.938 8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 119 15.171 4.097 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 119 14.200 4.746 5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 119 16.486 6.161 8.434 1.00 0.00 H new ATOM 0 HD2 TYR A 119 15.376 6.090 4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 119 18.271 7.806 7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 119 17.163 7.731 3.779 1.00 0.00 H new ATOM 0 HH TYR A 119 18.823 8.991 4.579 1.00 0.00 H new ATOM 1737 N LEU A 120 12.167 6.523 6.133 1.00 0.00 N ATOM 1738 CA LEU A 120 11.411 7.626 5.476 1.00 0.00 C ATOM 1739 C LEU A 120 10.354 8.183 6.435 1.00 0.00 C ATOM 1740 O LEU A 120 9.662 9.132 6.122 1.00 0.00 O ATOM 1741 CB LEU A 120 10.724 7.087 4.221 1.00 0.00 C ATOM 1742 CG LEU A 120 11.442 7.622 2.984 1.00 0.00 C ATOM 1743 CD1 LEU A 120 10.677 7.202 1.728 1.00 0.00 C ATOM 1744 CD2 LEU A 120 11.505 9.151 3.054 1.00 0.00 C ATOM 0 H LEU A 120 11.968 5.589 5.774 1.00 0.00 H new ATOM 0 HA LEU A 120 12.103 8.424 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.741 5.997 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 120 9.677 7.389 4.207 1.00 0.00 H new ATOM 0 HG LEU A 120 12.453 7.216 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 120 11.190 7.584 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.629 6.114 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.666 7.608 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.017 9.535 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 120 10.494 9.556 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 120 12.049 9.452 3.949 1.00 0.00 H new ATOM 1756 N ILE A 121 10.223 7.609 7.600 1.00 0.00 N ATOM 1757 CA ILE A 121 9.212 8.119 8.569 1.00 0.00 C ATOM 1758 C ILE A 121 9.746 9.411 9.196 1.00 0.00 C ATOM 1759 O ILE A 121 8.994 10.280 9.593 1.00 0.00 O ATOM 1760 CB ILE A 121 8.951 7.043 9.645 1.00 0.00 C ATOM 1761 CG1 ILE A 121 7.654 6.301 9.310 1.00 0.00 C ATOM 1762 CG2 ILE A 121 8.814 7.671 11.039 1.00 0.00 C ATOM 1763 CD1 ILE A 121 7.848 5.469 8.042 1.00 0.00 C ATOM 0 H ILE A 121 10.771 6.811 7.922 1.00 0.00 H new ATOM 0 HA ILE A 121 8.269 8.334 8.067 1.00 0.00 H new ATOM 0 HB ILE A 121 9.798 6.357 9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 121 7.369 5.655 10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 121 6.842 7.014 9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.631 6.888 11.775 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.733 8.199 11.292 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.980 8.373 11.041 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.923 4.943 7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.113 6.125 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 121 8.647 4.745 8.201 1.00 0.00 H new ATOM 1775 N GLY A 122 11.040 9.543 9.284 1.00 0.00 N ATOM 1776 CA GLY A 122 11.627 10.776 9.878 1.00 0.00 C ATOM 1777 C GLY A 122 12.585 11.417 8.872 1.00 0.00 C ATOM 1778 O GLY A 122 13.543 12.067 9.240 1.00 0.00 O ATOM 0 H GLY A 122 11.718 8.849 8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.836 11.478 10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 122 12.158 10.533 10.798 1.00 0.00 H new ATOM 1782 N GLN A 123 12.335 11.236 7.604 1.00 0.00 N ATOM 1783 CA GLN A 123 13.234 11.832 6.576 1.00 0.00 C ATOM 1784 C GLN A 123 12.464 12.025 5.267 1.00 0.00 C ATOM 1785 O GLN A 123 12.846 11.517 4.231 1.00 0.00 O ATOM 1786 CB GLN A 123 14.420 10.897 6.334 1.00 0.00 C ATOM 1787 CG GLN A 123 15.651 11.434 7.067 1.00 0.00 C ATOM 1788 CD GLN A 123 16.395 12.418 6.162 1.00 0.00 C ATOM 1789 OE1 GLN A 123 17.339 12.051 5.490 1.00 0.00 O ATOM 1790 NE2 GLN A 123 16.005 13.663 6.114 1.00 0.00 N ATOM 0 H GLN A 123 11.548 10.702 7.236 1.00 0.00 H new ATOM 0 HA GLN A 123 13.595 12.798 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 123 14.183 9.893 6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 123 14.624 10.820 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.350 11.929 7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 123 16.309 10.611 7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 123 15.213 13.971 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.492 14.327 5.513 1.00 0.00 H new ATOM 1799 N GLY A 124 11.385 12.761 5.303 1.00 0.00 N ATOM 1800 CA GLY A 124 10.597 12.991 4.058 1.00 0.00 C ATOM 1801 C GLY A 124 9.323 12.144 4.087 1.00 0.00 C ATOM 1802 O GLY A 124 8.694 11.925 3.071 1.00 0.00 O ATOM 0 H GLY A 124 11.016 13.212 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 124 10.341 14.047 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 124 11.196 12.733 3.185 1.00 0.00 H new ATOM 1806 N PHE A 125 8.939 11.674 5.245 1.00 0.00 N ATOM 1807 CA PHE A 125 7.706 10.844 5.360 1.00 0.00 C ATOM 1808 C PHE A 125 7.589 9.920 4.144 1.00 0.00 C ATOM 1809 O PHE A 125 8.424 9.042 4.012 1.00 0.00 O ATOM 1810 CB PHE A 125 6.468 11.746 5.441 1.00 0.00 C ATOM 1811 CG PHE A 125 6.871 13.189 5.653 1.00 0.00 C ATOM 1812 CD1 PHE A 125 7.205 13.985 4.552 1.00 0.00 C ATOM 1813 CD2 PHE A 125 6.909 13.729 6.945 1.00 0.00 C ATOM 1814 CE1 PHE A 125 7.576 15.322 4.740 1.00 0.00 C ATOM 1815 CE2 PHE A 125 7.280 15.067 7.133 1.00 0.00 C ATOM 1816 CZ PHE A 125 7.613 15.864 6.030 1.00 0.00 C ATOM 1817 OXT PHE A 125 6.671 10.109 3.364 1.00 0.00 O ATOM 0 H PHE A 125 9.433 11.832 6.124 1.00 0.00 H new ATOM 0 HA PHE A 125 7.769 10.243 6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.886 11.657 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 125 5.826 11.419 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 125 7.177 13.568 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.653 13.115 7.795 1.00 0.00 H new ATOM 0 HE1 PHE A 125 7.834 15.935 3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 125 7.309 15.484 8.129 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.898 16.896 6.175 1.00 0.00 H new TER 1827 PHE A 125