USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 57 LYS NZ :NH3+ -136:sc= -2.4! (180deg=-4.28!) USER MOD Set 1.2: A 88 TYR OH : rot -55:sc= 0.52 USER MOD Set 2.1: A 86 THR OG1 : rot 73:sc= 0.263 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -125:sc= 1.65 (180deg=-2.37!) USER MOD Set 3.1: A 72 THR OG1 : rot -101:sc= 0.146 USER MOD Set 3.2: A 74 THR OG1 : rot 176:sc= 1.46 USER MOD Set 4.1: A 67 SER OG : rot -111:sc= 0.898 USER MOD Set 4.2: A 70 GLN : amide:sc= 0.791 K(o=1.7,f=-3.2!) USER MOD Set 5.1: A 51 LYS NZ :NH3+ -138:sc= 1.32! (180deg=-1.01!) USER MOD Set 5.2: A 52 SER OG : rot 180:sc= 0.648 USER MOD Set 6.1: A 28 THR OG1 : rot -51:sc= 0.952 USER MOD Set 6.2: A 75 THR OG1 : rot -3:sc= 1.06 USER MOD Set 7.1: A 1 GLU N :NH3+ -160:sc= -4.84! (180deg=-5.47!) USER MOD Set 7.2: A 3 TYR OH : rot 136:sc= 1.59 USER MOD Set 7.3: A 24 LYS NZ :NH3+ -115:sc= 1.81 (180deg=-0.626!) USER MOD Set 8.1: A 22 THR OG1 : rot -38:sc= 0.977 USER MOD Set 8.2: A 102 THR OG1 : rot -20:sc= -0.54! USER MOD Single : A 2 THR OG1 : rot -64:sc= -1.05 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -5.55! (180deg=-5.84!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.832 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 138:sc= 2.4 (180deg=0.514) USER MOD Single : A 33 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 34 ASN : amide:sc= -4.92! C(o=-4.9!,f=-9.3!) USER MOD Single : A 35 LYS NZ :NH3+ -129:sc= 0.92 (180deg=-1.66!) USER MOD Single : A 40 ASN : amide:sc= -10.9! C(o=-11!,f=-17!) USER MOD Single : A 48 ASN : amide:sc= 0.478 K(o=0.48,f=-10!) USER MOD Single : A 58 SER OG : rot 116:sc= 1.18 USER MOD Single : A 60 SER OG : rot 121:sc= 0.592 USER MOD Single : A 61 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.806 K(o=0.81,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -176:sc= 0.318 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 152:sc= 0.581 USER MOD Single : A 97 MET CE :methyl 171:sc= -2.98 (180deg=-3.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.673 -6.741 -15.694 1.00 0.00 N ATOM 2 CA GLU A 1 -4.184 -5.894 -16.803 1.00 0.00 C ATOM 3 C GLU A 1 -3.727 -4.567 -16.145 1.00 0.00 C ATOM 4 O GLU A 1 -4.072 -4.329 -15.012 1.00 0.00 O ATOM 5 CB GLU A 1 -5.347 -5.614 -17.823 1.00 0.00 C ATOM 6 CG GLU A 1 -6.038 -6.924 -18.407 1.00 0.00 C ATOM 7 CD GLU A 1 -6.684 -7.802 -17.364 1.00 0.00 C ATOM 8 OE1 GLU A 1 -5.942 -8.571 -16.812 1.00 0.00 O ATOM 9 OE2 GLU A 1 -7.857 -7.701 -17.109 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.676 -7.737 -15.993 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.048 -6.629 -14.870 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.639 -6.453 -15.437 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.374 -6.375 -17.352 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.106 -5.005 -17.332 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.954 -5.025 -18.652 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.794 -6.628 -19.135 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.289 -7.507 -18.943 1.00 0.00 H new ATOM 18 N THR A 2 -2.971 -3.728 -16.797 1.00 0.00 N ATOM 19 CA THR A 2 -2.510 -2.401 -16.208 1.00 0.00 C ATOM 20 C THR A 2 -3.643 -1.563 -15.579 1.00 0.00 C ATOM 21 O THR A 2 -4.144 -0.613 -16.141 1.00 0.00 O ATOM 22 CB THR A 2 -1.842 -1.575 -17.311 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.793 -2.442 -17.690 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.084 -0.366 -16.803 1.00 0.00 C ATOM 0 H THR A 2 -2.634 -3.897 -17.745 1.00 0.00 H new ATOM 0 HA THR A 2 -1.818 -2.644 -15.402 1.00 0.00 H new ATOM 0 HB THR A 2 -2.586 -1.248 -18.037 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.173 -2.553 -16.939 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.640 0.166 -17.645 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.769 0.298 -16.275 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.296 -0.690 -16.123 1.00 0.00 H new ATOM 32 N TYR A 3 -4.037 -1.947 -14.402 1.00 0.00 N ATOM 33 CA TYR A 3 -5.134 -1.212 -13.681 1.00 0.00 C ATOM 34 C TYR A 3 -4.586 0.058 -12.954 1.00 0.00 C ATOM 35 O TYR A 3 -4.253 0.005 -11.788 1.00 0.00 O ATOM 36 CB TYR A 3 -5.815 -2.157 -12.614 1.00 0.00 C ATOM 37 CG TYR A 3 -6.069 -3.615 -13.045 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.816 -3.991 -14.147 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.510 -4.603 -12.272 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.987 -5.340 -14.453 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.682 -5.929 -12.579 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.411 -6.305 -13.662 1.00 0.00 C ATOM 43 OH TYR A 3 -6.510 -7.649 -13.937 1.00 0.00 O ATOM 0 H TYR A 3 -3.650 -2.743 -13.896 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.866 -0.903 -14.427 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.189 -2.170 -11.722 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.769 -1.715 -12.328 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.269 -3.236 -14.773 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.924 -4.331 -11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.573 -5.627 -15.313 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.232 -6.684 -11.951 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.637 -8.075 -13.808 1.00 0.00 H new ATOM 53 N THR A 4 -4.487 1.152 -13.653 1.00 0.00 N ATOM 54 CA THR A 4 -3.971 2.454 -13.045 1.00 0.00 C ATOM 55 C THR A 4 -4.662 2.871 -11.729 1.00 0.00 C ATOM 56 O THR A 4 -5.799 3.306 -11.696 1.00 0.00 O ATOM 57 CB THR A 4 -4.134 3.602 -14.066 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.148 3.328 -15.043 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.716 4.964 -13.548 1.00 0.00 C ATOM 0 H THR A 4 -4.741 1.221 -14.638 1.00 0.00 H new ATOM 0 HA THR A 4 -2.925 2.266 -12.802 1.00 0.00 H new ATOM 0 HB THR A 4 -5.180 3.639 -14.369 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.180 4.015 -15.741 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.863 5.711 -14.328 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.320 5.224 -12.679 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.664 4.938 -13.264 1.00 0.00 H new ATOM 67 N VAL A 5 -3.930 2.718 -10.666 1.00 0.00 N ATOM 68 CA VAL A 5 -4.379 3.056 -9.270 1.00 0.00 C ATOM 69 C VAL A 5 -3.610 4.319 -8.827 1.00 0.00 C ATOM 70 O VAL A 5 -2.511 4.570 -9.276 1.00 0.00 O ATOM 71 CB VAL A 5 -4.049 1.822 -8.370 1.00 0.00 C ATOM 72 CG1 VAL A 5 -4.171 2.144 -6.870 1.00 0.00 C ATOM 73 CG2 VAL A 5 -5.074 0.715 -8.649 1.00 0.00 C ATOM 0 H VAL A 5 -2.979 2.350 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.447 3.264 -9.201 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.026 1.526 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.932 1.255 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.478 2.945 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.190 2.461 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.853 -0.151 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.075 1.080 -8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.023 0.429 -9.699 1.00 0.00 H new ATOM 83 N LYS A 6 -4.155 5.112 -7.953 1.00 0.00 N ATOM 84 CA LYS A 6 -3.413 6.350 -7.518 1.00 0.00 C ATOM 85 C LYS A 6 -3.048 6.473 -6.027 1.00 0.00 C ATOM 86 O LYS A 6 -3.547 5.785 -5.162 1.00 0.00 O ATOM 87 CB LYS A 6 -4.237 7.592 -7.901 1.00 0.00 C ATOM 88 CG LYS A 6 -4.090 7.976 -9.370 1.00 0.00 C ATOM 89 CD LYS A 6 -4.843 9.332 -9.629 1.00 0.00 C ATOM 90 CE LYS A 6 -4.255 10.524 -8.828 1.00 0.00 C ATOM 91 NZ LYS A 6 -4.739 10.422 -7.425 1.00 0.00 N ATOM 0 H LYS A 6 -5.067 4.971 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.458 6.271 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.289 7.404 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.928 8.432 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.036 8.077 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.500 7.191 -10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.803 9.564 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.894 9.211 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.166 10.502 -8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.567 11.470 -9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.561 11.319 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.760 10.222 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.235 9.653 -6.939 1.00 0.00 H new ATOM 105 N LEU A 7 -2.146 7.386 -5.827 1.00 0.00 N ATOM 106 CA LEU A 7 -1.607 7.728 -4.471 1.00 0.00 C ATOM 107 C LEU A 7 -1.798 9.228 -4.049 1.00 0.00 C ATOM 108 O LEU A 7 -0.858 9.989 -3.908 1.00 0.00 O ATOM 109 CB LEU A 7 -0.075 7.305 -4.454 1.00 0.00 C ATOM 110 CG LEU A 7 0.582 7.381 -5.846 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.061 7.653 -5.678 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.487 6.012 -6.532 1.00 0.00 C ATOM 0 H LEU A 7 -1.737 7.939 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.182 7.178 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.468 7.952 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.012 6.288 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 7 0.083 8.158 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.534 7.708 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.200 8.599 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.516 6.848 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.952 6.065 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.002 5.266 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.561 5.731 -6.640 1.00 0.00 H new ATOM 124 N GLY A 8 -3.027 9.621 -3.861 1.00 0.00 N ATOM 125 CA GLY A 8 -3.402 11.031 -3.443 1.00 0.00 C ATOM 126 C GLY A 8 -4.443 11.756 -4.310 1.00 0.00 C ATOM 127 O GLY A 8 -4.306 11.860 -5.512 1.00 0.00 O ATOM 0 H GLY A 8 -3.831 9.005 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.778 10.994 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.494 11.634 -3.427 1.00 0.00 H new ATOM 131 N SER A 9 -5.450 12.259 -3.658 1.00 0.00 N ATOM 132 CA SER A 9 -6.580 13.008 -4.324 1.00 0.00 C ATOM 133 C SER A 9 -6.575 14.509 -3.954 1.00 0.00 C ATOM 134 O SER A 9 -7.572 15.097 -3.588 1.00 0.00 O ATOM 135 CB SER A 9 -7.912 12.351 -3.889 1.00 0.00 C ATOM 136 OG SER A 9 -7.895 12.416 -2.458 1.00 0.00 O ATOM 0 H SER A 9 -5.551 12.184 -2.646 1.00 0.00 H new ATOM 0 HA SER A 9 -6.457 12.951 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.770 12.883 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.979 11.321 -4.239 1.00 0.00 H new ATOM 0 HG SER A 9 -8.716 12.016 -2.103 1.00 0.00 H new ATOM 142 N ASP A 10 -5.404 15.066 -4.085 1.00 0.00 N ATOM 143 CA ASP A 10 -5.060 16.511 -3.809 1.00 0.00 C ATOM 144 C ASP A 10 -6.070 17.524 -3.172 1.00 0.00 C ATOM 145 O ASP A 10 -5.695 18.263 -2.284 1.00 0.00 O ATOM 146 CB ASP A 10 -4.520 16.976 -5.180 1.00 0.00 C ATOM 147 CG ASP A 10 -3.150 16.403 -5.317 1.00 0.00 C ATOM 148 OD1 ASP A 10 -2.277 17.036 -4.768 1.00 0.00 O ATOM 149 OD2 ASP A 10 -3.009 15.375 -5.929 1.00 0.00 O ATOM 0 H ASP A 10 -4.594 14.533 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.385 16.522 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.166 16.632 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.492 18.064 -5.236 1.00 0.00 H new ATOM 154 N LYS A 11 -7.294 17.558 -3.614 1.00 0.00 N ATOM 155 CA LYS A 11 -8.298 18.514 -3.023 1.00 0.00 C ATOM 156 C LYS A 11 -9.255 17.717 -2.075 1.00 0.00 C ATOM 157 O LYS A 11 -10.345 18.147 -1.741 1.00 0.00 O ATOM 158 CB LYS A 11 -9.060 19.173 -4.209 1.00 0.00 C ATOM 159 CG LYS A 11 -9.812 20.447 -3.700 1.00 0.00 C ATOM 160 CD LYS A 11 -11.293 20.452 -4.177 1.00 0.00 C ATOM 161 CE LYS A 11 -12.082 19.388 -3.417 1.00 0.00 C ATOM 162 NZ LYS A 11 -13.503 19.476 -3.885 1.00 0.00 N ATOM 0 H LYS A 11 -7.654 16.966 -4.363 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.826 19.296 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.360 19.442 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.770 18.465 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.777 20.483 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.306 21.341 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.735 21.434 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.341 20.258 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.674 18.396 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.019 19.556 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.077 18.764 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.877 20.425 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.543 19.300 -4.909 1.00 0.00 H new ATOM 176 N GLY A 12 -8.778 16.561 -1.707 1.00 0.00 N ATOM 177 CA GLY A 12 -9.478 15.585 -0.788 1.00 0.00 C ATOM 178 C GLY A 12 -8.503 15.041 0.269 1.00 0.00 C ATOM 179 O GLY A 12 -8.390 15.592 1.343 1.00 0.00 O ATOM 0 H GLY A 12 -7.869 16.223 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.317 16.078 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.889 14.760 -1.370 1.00 0.00 H new ATOM 183 N LEU A 13 -7.815 13.973 -0.045 1.00 0.00 N ATOM 184 CA LEU A 13 -6.831 13.369 0.928 1.00 0.00 C ATOM 185 C LEU A 13 -5.543 12.765 0.288 1.00 0.00 C ATOM 186 O LEU A 13 -5.511 12.351 -0.853 1.00 0.00 O ATOM 187 CB LEU A 13 -7.601 12.284 1.747 1.00 0.00 C ATOM 188 CG LEU A 13 -8.302 12.887 2.978 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.157 11.793 3.614 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.249 13.270 4.030 1.00 0.00 C ATOM 0 H LEU A 13 -7.887 13.484 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.454 14.176 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.341 11.803 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.905 11.509 2.068 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.888 13.754 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.667 12.193 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.896 11.443 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.520 10.961 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.744 13.697 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.692 12.381 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.562 14.004 3.607 1.00 0.00 H new ATOM 202 N LEU A 14 -4.482 12.692 1.038 1.00 0.00 N ATOM 203 CA LEU A 14 -3.190 12.122 0.496 1.00 0.00 C ATOM 204 C LEU A 14 -3.132 10.606 0.814 1.00 0.00 C ATOM 205 O LEU A 14 -2.270 10.112 1.504 1.00 0.00 O ATOM 206 CB LEU A 14 -2.038 12.918 1.166 1.00 0.00 C ATOM 207 CG LEU A 14 -2.219 14.439 0.975 1.00 0.00 C ATOM 208 CD1 LEU A 14 -1.007 15.124 1.590 1.00 0.00 C ATOM 209 CD2 LEU A 14 -2.244 14.793 -0.513 1.00 0.00 C ATOM 0 H LEU A 14 -4.440 13.000 2.009 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.109 12.218 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.004 12.685 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.084 12.607 0.741 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.153 14.755 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.101 16.204 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.949 14.878 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.102 14.782 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.372 15.869 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.305 14.488 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.072 14.275 -0.996 1.00 0.00 H new ATOM 221 N VAL A 15 -4.097 9.936 0.263 1.00 0.00 N ATOM 222 CA VAL A 15 -4.283 8.442 0.416 1.00 0.00 C ATOM 223 C VAL A 15 -4.083 7.604 -0.882 1.00 0.00 C ATOM 224 O VAL A 15 -3.478 8.055 -1.830 1.00 0.00 O ATOM 225 CB VAL A 15 -5.717 8.268 0.992 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.799 8.997 2.341 1.00 0.00 C ATOM 227 CG2 VAL A 15 -6.749 8.927 0.038 1.00 0.00 C ATOM 0 H VAL A 15 -4.810 10.374 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.504 8.050 1.071 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.931 7.205 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.800 8.883 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.070 8.571 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.585 10.056 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.752 8.803 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.527 9.989 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.694 8.452 -0.942 1.00 0.00 H new ATOM 237 N PHE A 16 -4.592 6.401 -0.887 1.00 0.00 N ATOM 238 CA PHE A 16 -4.483 5.480 -2.080 1.00 0.00 C ATOM 239 C PHE A 16 -5.883 5.269 -2.732 1.00 0.00 C ATOM 240 O PHE A 16 -6.802 4.777 -2.105 1.00 0.00 O ATOM 241 CB PHE A 16 -3.919 4.102 -1.631 1.00 0.00 C ATOM 242 CG PHE A 16 -2.398 3.965 -1.762 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.805 4.101 -2.998 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.605 3.682 -0.672 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.445 3.956 -3.149 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.240 3.537 -0.825 1.00 0.00 C ATOM 247 CZ PHE A 16 0.339 3.674 -2.060 1.00 0.00 C ATOM 0 H PHE A 16 -5.095 5.998 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.812 5.935 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.198 3.930 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.394 3.319 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.416 4.324 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.052 3.573 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.005 4.064 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.375 3.314 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.407 3.560 -2.175 1.00 0.00 H new ATOM 257 N GLU A 17 -5.998 5.626 -3.973 1.00 0.00 N ATOM 258 CA GLU A 17 -7.275 5.501 -4.761 1.00 0.00 C ATOM 259 C GLU A 17 -7.248 4.236 -5.694 1.00 0.00 C ATOM 260 O GLU A 17 -6.546 4.270 -6.685 1.00 0.00 O ATOM 261 CB GLU A 17 -7.412 6.795 -5.600 1.00 0.00 C ATOM 262 CG GLU A 17 -7.272 8.119 -4.742 1.00 0.00 C ATOM 263 CD GLU A 17 -6.352 9.114 -5.420 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.162 8.882 -5.374 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.822 10.080 -5.987 1.00 0.00 O ATOM 0 H GLU A 17 -5.226 6.021 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.126 5.376 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.652 6.795 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.381 6.795 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.255 8.568 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.884 7.876 -3.753 1.00 0.00 H new ATOM 272 N PRO A 18 -7.960 3.153 -5.422 1.00 0.00 N ATOM 273 CA PRO A 18 -8.829 2.855 -4.234 1.00 0.00 C ATOM 274 C PRO A 18 -8.246 1.935 -3.120 1.00 0.00 C ATOM 275 O PRO A 18 -8.934 1.011 -2.711 1.00 0.00 O ATOM 276 CB PRO A 18 -10.026 2.276 -4.923 1.00 0.00 C ATOM 277 CG PRO A 18 -9.363 1.327 -5.987 1.00 0.00 C ATOM 278 CD PRO A 18 -8.020 2.015 -6.377 1.00 0.00 C ATOM 0 HA PRO A 18 -9.004 3.741 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.669 1.729 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.640 3.046 -5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.190 0.334 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.007 1.202 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.170 1.342 -6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.022 2.353 -7.413 1.00 0.00 H new ATOM 286 N ALA A 19 -7.048 2.196 -2.683 1.00 0.00 N ATOM 287 CA ALA A 19 -6.321 1.420 -1.609 1.00 0.00 C ATOM 288 C ALA A 19 -6.000 -0.083 -1.876 1.00 0.00 C ATOM 289 O ALA A 19 -4.865 -0.514 -1.793 1.00 0.00 O ATOM 290 CB ALA A 19 -7.174 1.609 -0.319 1.00 0.00 C ATOM 0 H ALA A 19 -6.496 2.972 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.311 1.824 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.708 1.072 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.234 2.670 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.177 1.217 -0.486 1.00 0.00 H new ATOM 296 N LYS A 20 -7.031 -0.813 -2.182 1.00 0.00 N ATOM 297 CA LYS A 20 -6.926 -2.296 -2.470 1.00 0.00 C ATOM 298 C LYS A 20 -7.301 -2.779 -3.905 1.00 0.00 C ATOM 299 O LYS A 20 -8.393 -2.520 -4.376 1.00 0.00 O ATOM 300 CB LYS A 20 -7.803 -3.007 -1.354 1.00 0.00 C ATOM 301 CG LYS A 20 -9.201 -2.357 -1.122 1.00 0.00 C ATOM 302 CD LYS A 20 -10.308 -2.967 -2.050 1.00 0.00 C ATOM 303 CE LYS A 20 -11.291 -1.870 -2.437 1.00 0.00 C ATOM 304 NZ LYS A 20 -10.580 -1.066 -3.473 1.00 0.00 N ATOM 0 H LYS A 20 -7.980 -0.445 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.871 -2.567 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.943 -4.052 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.251 -2.997 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.491 -2.490 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.133 -1.284 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.855 -3.399 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.828 -3.774 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.217 -2.290 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.558 -1.257 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.240 -0.827 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.216 -0.191 -3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.788 -1.619 -3.858 1.00 0.00 H new ATOM 318 N LEU A 21 -6.370 -3.438 -4.533 1.00 0.00 N ATOM 319 CA LEU A 21 -6.509 -4.003 -5.927 1.00 0.00 C ATOM 320 C LEU A 21 -6.327 -5.534 -6.078 1.00 0.00 C ATOM 321 O LEU A 21 -5.433 -6.085 -5.478 1.00 0.00 O ATOM 322 CB LEU A 21 -5.450 -3.308 -6.809 1.00 0.00 C ATOM 323 CG LEU A 21 -5.500 -3.692 -8.360 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.777 -5.012 -8.617 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.901 -3.904 -8.970 1.00 0.00 C ATOM 0 H LEU A 21 -5.457 -3.624 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.542 -3.814 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.572 -2.229 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.461 -3.552 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.039 -2.821 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.825 -5.252 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.735 -4.921 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.255 -5.806 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.804 -4.159 -10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.407 -4.714 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.483 -2.988 -8.871 1.00 0.00 H new ATOM 337 N THR A 22 -7.120 -6.218 -6.841 1.00 0.00 N ATOM 338 CA THR A 22 -6.925 -7.711 -7.013 1.00 0.00 C ATOM 339 C THR A 22 -6.458 -7.935 -8.470 1.00 0.00 C ATOM 340 O THR A 22 -7.165 -7.638 -9.411 1.00 0.00 O ATOM 341 CB THR A 22 -8.232 -8.467 -6.798 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.550 -8.248 -5.437 1.00 0.00 O ATOM 343 CG2 THR A 22 -7.987 -9.959 -6.744 1.00 0.00 C ATOM 0 H THR A 22 -7.903 -5.824 -7.363 1.00 0.00 H new ATOM 0 HA THR A 22 -6.201 -8.076 -6.285 1.00 0.00 H new ATOM 0 HB THR A 22 -8.944 -8.166 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.729 -8.265 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.933 -10.478 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.541 -10.289 -7.682 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.310 -10.187 -5.921 1.00 0.00 H new ATOM 351 N ILE A 23 -5.271 -8.442 -8.620 1.00 0.00 N ATOM 352 CA ILE A 23 -4.646 -8.730 -9.949 1.00 0.00 C ATOM 353 C ILE A 23 -4.617 -10.206 -10.250 1.00 0.00 C ATOM 354 O ILE A 23 -4.836 -11.054 -9.396 1.00 0.00 O ATOM 355 CB ILE A 23 -3.130 -8.348 -10.090 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.353 -8.735 -8.834 1.00 0.00 C ATOM 357 CG2 ILE A 23 -2.871 -6.925 -10.407 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.851 -8.918 -9.219 1.00 0.00 C ATOM 0 H ILE A 23 -4.671 -8.684 -7.831 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.272 -8.130 -10.609 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.783 -8.920 -10.950 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.457 -7.964 -8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.751 -9.657 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.796 -6.759 -10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.346 -6.671 -11.354 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.279 -6.296 -9.616 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.279 -9.195 -8.333 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.761 -9.703 -9.969 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.463 -7.983 -9.624 1.00 0.00 H new ATOM 370 N LYS A 24 -4.320 -10.447 -11.491 1.00 0.00 N ATOM 371 CA LYS A 24 -4.242 -11.849 -11.912 1.00 0.00 C ATOM 372 C LYS A 24 -2.778 -12.291 -11.543 1.00 0.00 C ATOM 373 O LYS A 24 -2.005 -11.428 -11.174 1.00 0.00 O ATOM 374 CB LYS A 24 -4.491 -11.839 -13.386 1.00 0.00 C ATOM 375 CG LYS A 24 -5.861 -11.205 -13.663 1.00 0.00 C ATOM 376 CD LYS A 24 -5.861 -10.968 -15.139 1.00 0.00 C ATOM 377 CE LYS A 24 -7.281 -10.918 -15.680 1.00 0.00 C ATOM 378 NZ LYS A 24 -7.937 -9.684 -15.175 1.00 0.00 N ATOM 0 H LYS A 24 -4.134 -9.748 -12.210 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.953 -12.532 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.708 -11.278 -13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.461 -12.855 -13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.674 -11.867 -13.366 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.989 -10.275 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.350 -10.031 -15.361 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.305 -11.761 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.271 -10.922 -16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.838 -11.800 -15.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.724 -9.942 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.245 -9.114 -14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.301 -9.131 -15.977 1.00 0.00 H new ATOM 392 N PRO A 25 -2.389 -13.542 -11.628 1.00 0.00 N ATOM 393 CA PRO A 25 -0.946 -13.969 -11.469 1.00 0.00 C ATOM 394 C PRO A 25 0.219 -13.025 -11.968 1.00 0.00 C ATOM 395 O PRO A 25 0.925 -13.331 -12.911 1.00 0.00 O ATOM 396 CB PRO A 25 -0.967 -15.386 -12.139 1.00 0.00 C ATOM 397 CG PRO A 25 -2.356 -15.457 -12.861 1.00 0.00 C ATOM 398 CD PRO A 25 -3.280 -14.696 -11.912 1.00 0.00 C ATOM 0 HA PRO A 25 -0.661 -13.939 -10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.146 -15.503 -12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.864 -16.178 -11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.322 -14.994 -13.847 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.684 -16.487 -13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.220 -14.402 -12.380 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.534 -15.266 -11.018 1.00 0.00 H new ATOM 406 N GLY A 26 0.403 -11.888 -11.343 1.00 0.00 N ATOM 407 CA GLY A 26 1.492 -10.906 -11.731 1.00 0.00 C ATOM 408 C GLY A 26 0.950 -9.596 -12.291 1.00 0.00 C ATOM 409 O GLY A 26 1.088 -8.561 -11.679 1.00 0.00 O ATOM 0 H GLY A 26 -0.168 -11.582 -10.555 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.108 -10.693 -10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.142 -11.369 -12.473 1.00 0.00 H new ATOM 413 N ASP A 27 0.349 -9.697 -13.438 1.00 0.00 N ATOM 414 CA ASP A 27 -0.248 -8.504 -14.131 1.00 0.00 C ATOM 415 C ASP A 27 0.737 -7.263 -14.365 1.00 0.00 C ATOM 416 O ASP A 27 1.900 -7.276 -13.996 1.00 0.00 O ATOM 417 CB ASP A 27 -1.499 -8.234 -13.219 1.00 0.00 C ATOM 418 CG ASP A 27 -2.655 -7.593 -13.896 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.443 -6.625 -14.586 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.751 -8.085 -13.711 1.00 0.00 O ATOM 0 H ASP A 27 0.239 -10.575 -13.945 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.500 -8.683 -15.176 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.829 -9.182 -12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.191 -7.601 -12.387 1.00 0.00 H new ATOM 425 N THR A 28 0.208 -6.246 -15.003 1.00 0.00 N ATOM 426 CA THR A 28 0.927 -4.960 -15.345 1.00 0.00 C ATOM 427 C THR A 28 0.370 -3.674 -14.725 1.00 0.00 C ATOM 428 O THR A 28 0.439 -2.578 -15.245 1.00 0.00 O ATOM 429 CB THR A 28 0.910 -4.737 -16.828 1.00 0.00 C ATOM 430 OG1 THR A 28 1.473 -5.922 -17.344 1.00 0.00 O ATOM 431 CG2 THR A 28 2.010 -3.765 -17.234 1.00 0.00 C ATOM 0 H THR A 28 -0.760 -6.253 -15.324 1.00 0.00 H new ATOM 0 HA THR A 28 1.921 -5.121 -14.926 1.00 0.00 H new ATOM 0 HB THR A 28 -0.087 -4.428 -17.142 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.323 -6.104 -16.892 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.983 -3.615 -18.313 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.856 -2.810 -16.731 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.980 -4.173 -16.949 1.00 0.00 H new ATOM 439 N VAL A 29 -0.202 -3.836 -13.596 1.00 0.00 N ATOM 440 CA VAL A 29 -0.815 -2.677 -12.826 1.00 0.00 C ATOM 441 C VAL A 29 0.111 -1.445 -12.709 1.00 0.00 C ATOM 442 O VAL A 29 1.307 -1.529 -12.513 1.00 0.00 O ATOM 443 CB VAL A 29 -1.198 -3.169 -11.430 1.00 0.00 C ATOM 444 CG1 VAL A 29 -1.819 -2.036 -10.585 1.00 0.00 C ATOM 445 CG2 VAL A 29 -2.290 -4.195 -11.616 1.00 0.00 C ATOM 0 H VAL A 29 -0.291 -4.740 -13.131 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.688 -2.344 -13.386 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.307 -3.552 -10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.080 -2.419 -9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.099 -1.224 -10.480 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.717 -1.664 -11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.599 -4.578 -10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.143 -3.732 -12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.917 -5.017 -12.228 1.00 0.00 H new ATOM 455 N GLU A 30 -0.509 -0.310 -12.834 1.00 0.00 N ATOM 456 CA GLU A 30 0.210 0.980 -12.755 1.00 0.00 C ATOM 457 C GLU A 30 -0.160 1.828 -11.511 1.00 0.00 C ATOM 458 O GLU A 30 -1.297 1.844 -11.081 1.00 0.00 O ATOM 459 CB GLU A 30 -0.113 1.650 -14.121 1.00 0.00 C ATOM 460 CG GLU A 30 0.575 3.043 -14.317 1.00 0.00 C ATOM 461 CD GLU A 30 -0.293 4.197 -13.854 1.00 0.00 C ATOM 462 OE1 GLU A 30 -0.508 4.285 -12.669 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.692 4.946 -14.718 1.00 0.00 O ATOM 0 H GLU A 30 -1.513 -0.224 -12.992 1.00 0.00 H new ATOM 0 HA GLU A 30 1.283 0.859 -12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.199 0.984 -14.925 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.193 1.772 -14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.516 3.059 -13.767 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.819 3.178 -15.371 1.00 0.00 H new ATOM 470 N PHE A 31 0.822 2.480 -10.956 1.00 0.00 N ATOM 471 CA PHE A 31 0.606 3.358 -9.745 1.00 0.00 C ATOM 472 C PHE A 31 0.887 4.846 -10.109 1.00 0.00 C ATOM 473 O PHE A 31 2.021 5.182 -10.410 1.00 0.00 O ATOM 474 CB PHE A 31 1.571 2.939 -8.599 1.00 0.00 C ATOM 475 CG PHE A 31 1.570 1.445 -8.242 1.00 0.00 C ATOM 476 CD1 PHE A 31 0.539 0.585 -8.556 1.00 0.00 C ATOM 477 CD2 PHE A 31 2.662 0.948 -7.562 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.601 -0.745 -8.194 1.00 0.00 C ATOM 479 CE2 PHE A 31 2.727 -0.377 -7.200 1.00 0.00 C ATOM 480 CZ PHE A 31 1.694 -1.227 -7.516 1.00 0.00 C ATOM 0 H PHE A 31 1.786 2.449 -11.288 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.427 3.243 -9.418 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.585 3.226 -8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.313 3.508 -7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.324 0.955 -9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.478 1.609 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.213 -1.409 -8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.590 -0.750 -6.668 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.742 -2.268 -7.233 1.00 0.00 H new ATOM 490 N LEU A 32 -0.105 5.688 -10.073 1.00 0.00 N ATOM 491 CA LEU A 32 0.044 7.139 -10.406 1.00 0.00 C ATOM 492 C LEU A 32 -0.037 8.175 -9.232 1.00 0.00 C ATOM 493 O LEU A 32 -0.934 8.193 -8.407 1.00 0.00 O ATOM 494 CB LEU A 32 -1.030 7.374 -11.507 1.00 0.00 C ATOM 495 CG LEU A 32 -0.877 8.758 -12.171 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.446 8.639 -13.582 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.766 9.767 -11.461 1.00 0.00 C ATOM 0 H LEU A 32 -1.055 5.421 -9.816 1.00 0.00 H new ATOM 0 HA LEU A 32 1.068 7.331 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.949 6.596 -12.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.024 7.289 -11.069 1.00 0.00 H new ATOM 0 HG LEU A 32 0.168 9.066 -12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.359 9.599 -14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.890 7.882 -14.136 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.496 8.351 -13.528 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.656 10.744 -11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.806 9.447 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.474 9.835 -10.413 1.00 0.00 H new ATOM 509 N ASN A 33 0.953 9.030 -9.212 1.00 0.00 N ATOM 510 CA ASN A 33 1.097 10.121 -8.180 1.00 0.00 C ATOM 511 C ASN A 33 0.009 11.229 -8.086 1.00 0.00 C ATOM 512 O ASN A 33 -0.963 11.302 -8.810 1.00 0.00 O ATOM 513 CB ASN A 33 2.479 10.765 -8.437 1.00 0.00 C ATOM 514 CG ASN A 33 3.591 9.972 -7.813 1.00 0.00 C ATOM 515 OD1 ASN A 33 3.935 10.134 -6.667 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.203 9.088 -8.502 1.00 0.00 N ATOM 0 H ASN A 33 1.706 9.021 -9.900 1.00 0.00 H new ATOM 0 HA ASN A 33 0.976 9.626 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.648 10.845 -9.511 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.487 11.779 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.957 8.545 -8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.938 8.925 -9.473 1.00 0.00 H new ATOM 523 N ASN A 34 0.253 12.076 -7.131 1.00 0.00 N ATOM 524 CA ASN A 34 -0.630 13.244 -6.829 1.00 0.00 C ATOM 525 C ASN A 34 0.271 14.514 -6.922 1.00 0.00 C ATOM 526 O ASN A 34 1.380 14.445 -7.418 1.00 0.00 O ATOM 527 CB ASN A 34 -1.224 12.974 -5.413 1.00 0.00 C ATOM 528 CG ASN A 34 -0.555 13.804 -4.349 1.00 0.00 C ATOM 529 OD1 ASN A 34 0.594 13.654 -4.018 1.00 0.00 O ATOM 530 ND2 ASN A 34 -1.212 14.727 -3.763 1.00 0.00 N ATOM 0 H ASN A 34 1.065 12.006 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.464 13.393 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.292 13.190 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.114 11.917 -5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.761 15.299 -3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.188 14.893 -4.009 1.00 0.00 H new ATOM 537 N LYS A 35 -0.194 15.626 -6.438 1.00 0.00 N ATOM 538 CA LYS A 35 0.612 16.891 -6.494 1.00 0.00 C ATOM 539 C LYS A 35 1.164 17.280 -5.080 1.00 0.00 C ATOM 540 O LYS A 35 1.263 18.434 -4.699 1.00 0.00 O ATOM 541 CB LYS A 35 -0.377 17.917 -7.149 1.00 0.00 C ATOM 542 CG LYS A 35 0.159 19.381 -7.179 1.00 0.00 C ATOM 543 CD LYS A 35 -1.011 20.402 -6.940 1.00 0.00 C ATOM 544 CE LYS A 35 -1.965 20.022 -5.777 1.00 0.00 C ATOM 545 NZ LYS A 35 -1.146 19.581 -4.612 1.00 0.00 N ATOM 0 H LYS A 35 -1.109 15.723 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 35 1.528 16.824 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.592 17.599 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.320 17.897 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.924 19.510 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.633 19.581 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.584 21.384 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.593 20.490 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.584 20.876 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.641 19.225 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.495 18.663 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.152 19.487 -4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.219 20.285 -3.850 1.00 0.00 H new ATOM 559 N VAL A 36 1.499 16.268 -4.330 1.00 0.00 N ATOM 560 CA VAL A 36 2.071 16.409 -2.934 1.00 0.00 C ATOM 561 C VAL A 36 3.088 15.240 -2.694 1.00 0.00 C ATOM 562 O VAL A 36 2.833 14.332 -1.926 1.00 0.00 O ATOM 563 CB VAL A 36 0.924 16.354 -1.867 1.00 0.00 C ATOM 564 CG1 VAL A 36 1.514 16.729 -0.498 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.155 17.398 -2.164 1.00 0.00 C ATOM 0 H VAL A 36 1.399 15.299 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 36 2.577 17.369 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 36 0.496 15.352 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.729 16.696 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.301 16.022 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.931 17.735 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.938 17.337 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.288 18.394 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.585 17.208 -3.147 1.00 0.00 H new ATOM 575 N PRO A 37 4.213 15.294 -3.374 1.00 0.00 N ATOM 576 CA PRO A 37 5.213 14.175 -3.414 1.00 0.00 C ATOM 577 C PRO A 37 6.418 14.395 -2.423 1.00 0.00 C ATOM 578 O PRO A 37 6.579 15.481 -1.896 1.00 0.00 O ATOM 579 CB PRO A 37 5.523 14.211 -4.906 1.00 0.00 C ATOM 580 CG PRO A 37 5.742 15.747 -5.118 1.00 0.00 C ATOM 581 CD PRO A 37 4.666 16.433 -4.222 1.00 0.00 C ATOM 0 HA PRO A 37 4.887 13.195 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.408 13.628 -5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.702 13.823 -5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.749 16.047 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.618 16.023 -6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.085 17.245 -3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.851 16.855 -4.810 1.00 0.00 H new ATOM 589 N PRO A 38 7.254 13.400 -2.191 1.00 0.00 N ATOM 590 CA PRO A 38 7.410 12.129 -2.967 1.00 0.00 C ATOM 591 C PRO A 38 6.732 10.844 -2.393 1.00 0.00 C ATOM 592 O PRO A 38 6.790 10.549 -1.214 1.00 0.00 O ATOM 593 CB PRO A 38 8.924 12.074 -3.047 1.00 0.00 C ATOM 594 CG PRO A 38 9.324 12.432 -1.568 1.00 0.00 C ATOM 595 CD PRO A 38 8.231 13.438 -1.072 1.00 0.00 C ATOM 0 HA PRO A 38 6.883 12.140 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.284 11.089 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.324 12.789 -3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.350 11.540 -0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.317 12.880 -1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.785 13.124 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.636 14.438 -0.916 1.00 0.00 H new ATOM 603 N HIS A 39 6.124 10.077 -3.259 1.00 0.00 N ATOM 604 CA HIS A 39 5.431 8.812 -2.808 1.00 0.00 C ATOM 605 C HIS A 39 6.150 7.526 -3.234 1.00 0.00 C ATOM 606 O HIS A 39 5.724 6.770 -4.082 1.00 0.00 O ATOM 607 CB HIS A 39 4.008 8.812 -3.375 1.00 0.00 C ATOM 608 CG HIS A 39 3.260 10.039 -2.893 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.901 10.236 -1.630 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.875 11.094 -3.687 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.302 11.415 -1.669 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.295 11.896 -2.864 1.00 0.00 N ATOM 0 H HIS A 39 6.072 10.263 -4.261 1.00 0.00 H new ATOM 0 HA HIS A 39 5.433 8.814 -1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.041 8.801 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.483 7.909 -3.063 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.024 11.220 -4.749 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.874 11.910 -0.810 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.885 12.793 -3.124 1.00 0.00 H new ATOM 620 N ASN A 40 7.260 7.294 -2.607 1.00 0.00 N ATOM 621 CA ASN A 40 8.058 6.078 -2.932 1.00 0.00 C ATOM 622 C ASN A 40 7.436 4.864 -2.233 1.00 0.00 C ATOM 623 O ASN A 40 7.514 4.788 -1.024 1.00 0.00 O ATOM 624 CB ASN A 40 9.500 6.348 -2.445 1.00 0.00 C ATOM 625 CG ASN A 40 10.363 5.118 -2.565 1.00 0.00 C ATOM 626 OD1 ASN A 40 11.375 5.120 -3.226 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.038 4.039 -1.953 1.00 0.00 N ATOM 0 H ASN A 40 7.655 7.892 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 40 8.067 5.863 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.937 7.158 -3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.479 6.679 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.628 3.211 -2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.189 4.009 -1.388 1.00 0.00 H new ATOM 634 N VAL A 41 6.850 3.958 -2.959 1.00 0.00 N ATOM 635 CA VAL A 41 6.266 2.789 -2.234 1.00 0.00 C ATOM 636 C VAL A 41 7.281 1.656 -2.071 1.00 0.00 C ATOM 637 O VAL A 41 7.962 1.200 -2.968 1.00 0.00 O ATOM 638 CB VAL A 41 5.048 2.191 -2.966 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.912 3.219 -2.978 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.357 1.850 -4.441 1.00 0.00 C ATOM 0 H VAL A 41 6.749 3.966 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 41 5.965 3.183 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 41 4.777 1.278 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.048 2.801 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.636 3.468 -1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.242 4.120 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.467 1.432 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.656 2.756 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.167 1.121 -4.484 1.00 0.00 H new ATOM 650 N VAL A 42 7.335 1.239 -0.858 1.00 0.00 N ATOM 651 CA VAL A 42 8.229 0.148 -0.412 1.00 0.00 C ATOM 652 C VAL A 42 7.314 -1.102 -0.248 1.00 0.00 C ATOM 653 O VAL A 42 6.232 -0.984 0.291 1.00 0.00 O ATOM 654 CB VAL A 42 8.845 0.684 0.885 1.00 0.00 C ATOM 655 CG1 VAL A 42 9.862 -0.289 1.386 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.571 2.019 0.624 1.00 0.00 C ATOM 0 H VAL A 42 6.764 1.630 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 42 9.040 -0.144 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 42 8.045 0.828 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.303 0.088 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.383 -1.249 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.643 -0.417 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.003 2.386 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.364 1.865 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.860 2.751 0.240 1.00 0.00 H new ATOM 666 N PHE A 43 7.726 -2.257 -0.700 1.00 0.00 N ATOM 667 CA PHE A 43 6.875 -3.491 -0.566 1.00 0.00 C ATOM 668 C PHE A 43 7.258 -4.194 0.732 1.00 0.00 C ATOM 669 O PHE A 43 8.413 -4.107 1.104 1.00 0.00 O ATOM 670 CB PHE A 43 7.102 -4.440 -1.776 1.00 0.00 C ATOM 671 CG PHE A 43 5.930 -4.288 -2.771 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.526 -3.058 -3.261 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.253 -5.413 -3.189 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.473 -2.963 -4.149 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.202 -5.323 -4.077 1.00 0.00 C ATOM 676 CZ PHE A 43 3.811 -4.096 -4.557 1.00 0.00 C ATOM 0 H PHE A 43 8.623 -2.406 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 43 5.821 -3.215 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.045 -4.202 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.173 -5.473 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.040 -2.162 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.551 -6.381 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.169 -1.997 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.686 -6.217 -4.395 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.987 -4.023 -5.252 1.00 0.00 H new ATOM 686 N ASP A 44 6.359 -4.855 1.400 1.00 0.00 N ATOM 687 CA ASP A 44 6.816 -5.512 2.666 1.00 0.00 C ATOM 688 C ASP A 44 7.310 -6.995 2.760 1.00 0.00 C ATOM 689 O ASP A 44 7.178 -7.817 1.874 1.00 0.00 O ATOM 690 CB ASP A 44 5.646 -5.257 3.655 1.00 0.00 C ATOM 691 CG ASP A 44 6.242 -5.243 5.031 1.00 0.00 C ATOM 692 OD1 ASP A 44 7.181 -4.486 5.184 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.722 -6.008 5.801 1.00 0.00 O ATOM 0 H ASP A 44 5.377 -4.970 1.149 1.00 0.00 H new ATOM 0 HA ASP A 44 7.789 -5.061 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.154 -4.309 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.889 -6.037 3.569 1.00 0.00 H new ATOM 698 N ALA A 45 7.877 -7.248 3.910 1.00 0.00 N ATOM 699 CA ALA A 45 8.455 -8.564 4.309 1.00 0.00 C ATOM 700 C ALA A 45 7.562 -9.341 5.324 1.00 0.00 C ATOM 701 O ALA A 45 7.733 -10.518 5.562 1.00 0.00 O ATOM 702 CB ALA A 45 9.853 -8.253 4.878 1.00 0.00 C ATOM 0 H ALA A 45 7.967 -6.540 4.639 1.00 0.00 H new ATOM 0 HA ALA A 45 8.515 -9.232 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.333 -9.180 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.459 -7.771 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.757 -7.587 5.736 1.00 0.00 H new ATOM 708 N ALA A 46 6.633 -8.647 5.905 1.00 0.00 N ATOM 709 CA ALA A 46 5.679 -9.231 6.899 1.00 0.00 C ATOM 710 C ALA A 46 4.281 -9.301 6.216 1.00 0.00 C ATOM 711 O ALA A 46 3.609 -10.314 6.226 1.00 0.00 O ATOM 712 CB ALA A 46 5.719 -8.298 8.136 1.00 0.00 C ATOM 0 H ALA A 46 6.484 -7.654 5.728 1.00 0.00 H new ATOM 0 HA ALA A 46 5.929 -10.241 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.039 -8.676 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.732 -8.268 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.414 -7.293 7.844 1.00 0.00 H new ATOM 718 N LEU A 47 3.877 -8.215 5.623 1.00 0.00 N ATOM 719 CA LEU A 47 2.548 -8.152 4.921 1.00 0.00 C ATOM 720 C LEU A 47 2.629 -8.569 3.415 1.00 0.00 C ATOM 721 O LEU A 47 2.317 -7.818 2.504 1.00 0.00 O ATOM 722 CB LEU A 47 2.001 -6.695 5.050 1.00 0.00 C ATOM 723 CG LEU A 47 1.518 -6.329 6.468 1.00 0.00 C ATOM 724 CD1 LEU A 47 2.697 -6.177 7.427 1.00 0.00 C ATOM 725 CD2 LEU A 47 0.813 -4.977 6.383 1.00 0.00 C ATOM 0 H LEU A 47 4.415 -7.349 5.590 1.00 0.00 H new ATOM 0 HA LEU A 47 1.877 -8.868 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.783 -5.997 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.175 -6.565 4.351 1.00 0.00 H new ATOM 0 HG LEU A 47 0.860 -7.117 6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.328 -5.919 8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.248 -7.116 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.358 -5.387 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.458 -4.689 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.511 -4.225 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.034 -5.051 5.701 1.00 0.00 H new ATOM 737 N ASN A 48 3.083 -9.776 3.198 1.00 0.00 N ATOM 738 CA ASN A 48 3.213 -10.345 1.814 1.00 0.00 C ATOM 739 C ASN A 48 3.394 -11.909 1.821 1.00 0.00 C ATOM 740 O ASN A 48 4.082 -12.409 2.688 1.00 0.00 O ATOM 741 CB ASN A 48 4.398 -9.531 1.193 1.00 0.00 C ATOM 742 CG ASN A 48 5.302 -10.343 0.317 1.00 0.00 C ATOM 743 OD1 ASN A 48 4.928 -11.166 -0.482 1.00 0.00 O ATOM 744 ND2 ASN A 48 6.551 -10.136 0.432 1.00 0.00 N ATOM 0 H ASN A 48 3.378 -10.411 3.940 1.00 0.00 H new ATOM 0 HA ASN A 48 2.314 -10.236 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.991 -8.704 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.987 -9.094 1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.210 -10.660 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.894 -9.446 1.100 1.00 0.00 H new ATOM 751 N PRO A 49 2.800 -12.643 0.891 1.00 0.00 N ATOM 752 CA PRO A 49 2.937 -14.143 0.839 1.00 0.00 C ATOM 753 C PRO A 49 4.426 -14.558 0.931 1.00 0.00 C ATOM 754 O PRO A 49 4.801 -15.507 1.595 1.00 0.00 O ATOM 755 CB PRO A 49 2.207 -14.514 -0.487 1.00 0.00 C ATOM 756 CG PRO A 49 2.261 -13.198 -1.290 1.00 0.00 C ATOM 757 CD PRO A 49 1.963 -12.131 -0.230 1.00 0.00 C ATOM 0 HA PRO A 49 2.493 -14.683 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.709 -15.328 -1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.181 -14.836 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.237 -13.047 -1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.524 -13.185 -2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.259 -11.132 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.905 -12.083 0.028 1.00 0.00 H new ATOM 765 N ALA A 50 5.251 -13.814 0.252 1.00 0.00 N ATOM 766 CA ALA A 50 6.713 -14.102 0.270 1.00 0.00 C ATOM 767 C ALA A 50 7.309 -13.108 1.268 1.00 0.00 C ATOM 768 O ALA A 50 7.994 -12.178 0.895 1.00 0.00 O ATOM 769 CB ALA A 50 7.375 -13.859 -1.092 1.00 0.00 C ATOM 0 H ALA A 50 4.975 -13.014 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 50 6.880 -15.148 0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.439 -14.084 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.915 -14.504 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.242 -12.816 -1.380 1.00 0.00 H new ATOM 775 N LYS A 51 6.987 -13.354 2.500 1.00 0.00 N ATOM 776 CA LYS A 51 7.445 -12.544 3.684 1.00 0.00 C ATOM 777 C LYS A 51 9.007 -12.509 3.889 1.00 0.00 C ATOM 778 O LYS A 51 9.539 -12.612 4.981 1.00 0.00 O ATOM 779 CB LYS A 51 6.688 -13.175 4.903 1.00 0.00 C ATOM 780 CG LYS A 51 6.678 -14.764 4.867 1.00 0.00 C ATOM 781 CD LYS A 51 8.109 -15.366 4.610 1.00 0.00 C ATOM 782 CE LYS A 51 9.019 -15.123 5.806 1.00 0.00 C ATOM 783 NZ LYS A 51 10.411 -14.904 5.290 1.00 0.00 N ATOM 0 H LYS A 51 6.385 -14.134 2.761 1.00 0.00 H new ATOM 0 HA LYS A 51 7.210 -11.489 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.156 -12.840 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.661 -12.810 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.291 -15.144 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.998 -15.103 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.030 -16.436 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.544 -14.914 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.681 -14.255 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.993 -15.976 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.089 -15.410 5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.481 -15.263 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.629 -13.887 5.300 1.00 0.00 H new ATOM 797 N SER A 52 9.732 -12.374 2.825 1.00 0.00 N ATOM 798 CA SER A 52 11.221 -12.331 2.834 1.00 0.00 C ATOM 799 C SER A 52 11.850 -10.994 2.363 1.00 0.00 C ATOM 800 O SER A 52 11.272 -9.945 2.561 1.00 0.00 O ATOM 801 CB SER A 52 11.662 -13.545 1.984 1.00 0.00 C ATOM 802 OG SER A 52 10.939 -14.662 2.540 1.00 0.00 O ATOM 0 H SER A 52 9.331 -12.286 1.891 1.00 0.00 H new ATOM 0 HA SER A 52 11.589 -12.388 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.419 -13.401 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.739 -13.701 2.044 1.00 0.00 H new ATOM 0 HG SER A 52 11.167 -15.478 2.047 1.00 0.00 H new ATOM 808 N ALA A 53 13.007 -11.036 1.768 1.00 0.00 N ATOM 809 CA ALA A 53 13.688 -9.777 1.275 1.00 0.00 C ATOM 810 C ALA A 53 13.802 -9.868 -0.270 1.00 0.00 C ATOM 811 O ALA A 53 13.291 -9.049 -1.012 1.00 0.00 O ATOM 812 CB ALA A 53 15.061 -9.723 1.994 1.00 0.00 C ATOM 0 H ALA A 53 13.528 -11.895 1.593 1.00 0.00 H new ATOM 0 HA ALA A 53 13.142 -8.860 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.603 -8.832 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.906 -9.690 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.641 -10.610 1.738 1.00 0.00 H new ATOM 818 N ASP A 54 14.493 -10.897 -0.637 1.00 0.00 N ATOM 819 CA ASP A 54 14.803 -11.326 -2.032 1.00 0.00 C ATOM 820 C ASP A 54 13.933 -10.677 -3.145 1.00 0.00 C ATOM 821 O ASP A 54 14.386 -9.872 -3.936 1.00 0.00 O ATOM 822 CB ASP A 54 14.691 -12.887 -1.877 1.00 0.00 C ATOM 823 CG ASP A 54 13.572 -13.203 -0.888 1.00 0.00 C ATOM 824 OD1 ASP A 54 12.430 -13.212 -1.294 1.00 0.00 O ATOM 825 OD2 ASP A 54 13.948 -13.384 0.253 1.00 0.00 O ATOM 0 H ASP A 54 14.901 -11.529 0.052 1.00 0.00 H new ATOM 0 HA ASP A 54 15.774 -10.993 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.483 -13.348 -2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.636 -13.300 -1.523 1.00 0.00 H new ATOM 830 N LEU A 55 12.697 -11.062 -3.137 1.00 0.00 N ATOM 831 CA LEU A 55 11.673 -10.568 -4.110 1.00 0.00 C ATOM 832 C LEU A 55 10.951 -9.401 -3.402 1.00 0.00 C ATOM 833 O LEU A 55 10.917 -8.290 -3.895 1.00 0.00 O ATOM 834 CB LEU A 55 10.775 -11.807 -4.416 1.00 0.00 C ATOM 835 CG LEU A 55 9.681 -11.594 -5.499 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.616 -10.592 -5.059 1.00 0.00 C ATOM 837 CD2 LEU A 55 10.309 -11.056 -6.780 1.00 0.00 C ATOM 0 H LEU A 55 12.329 -11.734 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 55 12.046 -10.185 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.417 -12.629 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.289 -12.118 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 55 9.215 -12.566 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.875 -10.478 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.128 -10.954 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.084 -9.628 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.534 -10.910 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.798 -10.104 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.045 -11.769 -7.151 1.00 0.00 H new ATOM 849 N ALA A 56 10.397 -9.703 -2.258 1.00 0.00 N ATOM 850 CA ALA A 56 9.650 -8.712 -1.401 1.00 0.00 C ATOM 851 C ALA A 56 10.117 -7.231 -1.551 1.00 0.00 C ATOM 852 O ALA A 56 9.338 -6.301 -1.621 1.00 0.00 O ATOM 853 CB ALA A 56 9.805 -9.228 0.041 1.00 0.00 C ATOM 0 H ALA A 56 10.430 -10.641 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 56 8.608 -8.662 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.286 -8.557 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.376 -10.227 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.863 -9.266 0.302 1.00 0.00 H new ATOM 859 N LYS A 57 11.405 -7.041 -1.594 1.00 0.00 N ATOM 860 CA LYS A 57 11.980 -5.663 -1.736 1.00 0.00 C ATOM 861 C LYS A 57 12.351 -5.360 -3.184 1.00 0.00 C ATOM 862 O LYS A 57 12.034 -4.269 -3.617 1.00 0.00 O ATOM 863 CB LYS A 57 13.228 -5.590 -0.794 1.00 0.00 C ATOM 864 CG LYS A 57 12.901 -5.997 0.680 1.00 0.00 C ATOM 865 CD LYS A 57 12.379 -4.797 1.528 1.00 0.00 C ATOM 866 CE LYS A 57 11.147 -4.164 0.920 1.00 0.00 C ATOM 867 NZ LYS A 57 10.668 -3.138 1.893 1.00 0.00 N ATOM 0 H LYS A 57 12.098 -7.788 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 57 11.245 -4.910 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.009 -6.244 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.627 -4.576 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.152 -6.789 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.796 -6.406 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.150 -5.139 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.165 -4.047 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.381 -3.706 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.377 -4.913 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.635 -3.206 1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.113 -3.303 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.923 -2.189 1.551 1.00 0.00 H new ATOM 881 N SER A 58 12.962 -6.283 -3.876 1.00 0.00 N ATOM 882 CA SER A 58 13.362 -6.061 -5.328 1.00 0.00 C ATOM 883 C SER A 58 12.165 -5.833 -6.282 1.00 0.00 C ATOM 884 O SER A 58 12.273 -5.900 -7.489 1.00 0.00 O ATOM 885 CB SER A 58 14.138 -7.270 -5.842 1.00 0.00 C ATOM 886 OG SER A 58 15.175 -7.423 -4.880 1.00 0.00 O ATOM 0 H SER A 58 13.212 -7.200 -3.506 1.00 0.00 H new ATOM 0 HA SER A 58 13.967 -5.154 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.508 -8.158 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.538 -7.097 -6.841 1.00 0.00 H new ATOM 0 HG SER A 58 15.064 -8.277 -4.412 1.00 0.00 H new ATOM 892 N LEU A 59 11.048 -5.575 -5.675 1.00 0.00 N ATOM 893 CA LEU A 59 9.748 -5.305 -6.336 1.00 0.00 C ATOM 894 C LEU A 59 9.522 -3.797 -6.037 1.00 0.00 C ATOM 895 O LEU A 59 9.299 -3.015 -6.940 1.00 0.00 O ATOM 896 CB LEU A 59 8.746 -6.268 -5.665 1.00 0.00 C ATOM 897 CG LEU A 59 7.461 -6.410 -6.480 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.621 -7.468 -5.790 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.659 -5.108 -6.476 1.00 0.00 C ATOM 0 H LEU A 59 10.984 -5.538 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 59 9.666 -5.470 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.209 -7.247 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.505 -5.903 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 59 7.708 -6.667 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.688 -7.606 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.170 -8.409 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.400 -7.150 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.750 -5.239 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.394 -4.847 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.260 -4.309 -6.910 1.00 0.00 H new ATOM 911 N SER A 60 9.573 -3.400 -4.782 1.00 0.00 N ATOM 912 CA SER A 60 9.371 -1.938 -4.480 1.00 0.00 C ATOM 913 C SER A 60 10.589 -0.982 -4.600 1.00 0.00 C ATOM 914 O SER A 60 11.636 -1.309 -5.116 1.00 0.00 O ATOM 915 CB SER A 60 8.876 -1.891 -3.126 1.00 0.00 C ATOM 916 OG SER A 60 9.930 -2.470 -2.330 1.00 0.00 O ATOM 0 H SER A 60 9.740 -4.002 -3.976 1.00 0.00 H new ATOM 0 HA SER A 60 8.699 -1.562 -5.252 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.664 -0.867 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.948 -2.454 -3.024 1.00 0.00 H new ATOM 0 HG SER A 60 10.233 -1.818 -1.664 1.00 0.00 H new ATOM 922 N HIS A 61 10.408 0.215 -4.111 1.00 0.00 N ATOM 923 CA HIS A 61 11.482 1.262 -4.140 1.00 0.00 C ATOM 924 C HIS A 61 11.968 1.577 -2.688 1.00 0.00 C ATOM 925 O HIS A 61 11.829 0.765 -1.795 1.00 0.00 O ATOM 926 CB HIS A 61 10.854 2.499 -4.853 1.00 0.00 C ATOM 927 CG HIS A 61 9.981 2.045 -6.017 1.00 0.00 C ATOM 928 ND1 HIS A 61 10.205 1.017 -6.758 1.00 0.00 N ATOM 929 CD2 HIS A 61 8.819 2.583 -6.524 1.00 0.00 C ATOM 930 CE1 HIS A 61 9.271 0.910 -7.653 1.00 0.00 C ATOM 931 NE2 HIS A 61 8.387 1.868 -7.542 1.00 0.00 N ATOM 0 H HIS A 61 9.537 0.523 -3.679 1.00 0.00 H new ATOM 0 HA HIS A 61 12.371 0.936 -4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.258 3.074 -4.144 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.642 3.159 -5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.331 3.467 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.229 0.128 -8.396 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.556 2.025 -8.112 1.00 0.00 H new ATOM 939 N LYS A 62 12.525 2.741 -2.466 1.00 0.00 N ATOM 940 CA LYS A 62 13.025 3.123 -1.085 1.00 0.00 C ATOM 941 C LYS A 62 12.440 4.452 -0.534 1.00 0.00 C ATOM 942 O LYS A 62 11.490 4.453 0.219 1.00 0.00 O ATOM 943 CB LYS A 62 14.571 3.197 -1.164 1.00 0.00 C ATOM 944 CG LYS A 62 15.109 1.748 -1.380 1.00 0.00 C ATOM 945 CD LYS A 62 16.669 1.699 -1.402 1.00 0.00 C ATOM 946 CE LYS A 62 17.240 2.365 -2.646 1.00 0.00 C ATOM 947 NZ LYS A 62 18.727 2.161 -2.590 1.00 0.00 N ATOM 0 H LYS A 62 12.661 3.456 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 62 12.686 2.364 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.881 3.845 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.980 3.624 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.737 1.101 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.721 1.354 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.060 2.194 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.000 0.661 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.821 1.923 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.994 3.427 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.169 2.600 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.105 2.599 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.938 1.143 -2.583 1.00 0.00 H new ATOM 961 N GLN A 63 13.015 5.560 -0.918 1.00 0.00 N ATOM 962 CA GLN A 63 12.500 6.882 -0.430 1.00 0.00 C ATOM 963 C GLN A 63 12.644 8.043 -1.473 1.00 0.00 C ATOM 964 O GLN A 63 12.891 9.178 -1.118 1.00 0.00 O ATOM 965 CB GLN A 63 13.274 7.163 0.897 1.00 0.00 C ATOM 966 CG GLN A 63 12.666 8.416 1.639 1.00 0.00 C ATOM 967 CD GLN A 63 13.750 9.407 2.022 1.00 0.00 C ATOM 968 OE1 GLN A 63 14.248 9.448 3.119 1.00 0.00 O ATOM 969 NE2 GLN A 63 14.164 10.239 1.141 1.00 0.00 N ATOM 0 H GLN A 63 13.817 5.612 -1.546 1.00 0.00 H new ATOM 0 HA GLN A 63 11.423 6.836 -0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.223 6.289 1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.328 7.338 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.935 8.904 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.135 8.090 2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.763 10.230 0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.895 10.910 1.377 1.00 0.00 H new ATOM 978 N LEU A 64 12.477 7.749 -2.735 1.00 0.00 N ATOM 979 CA LEU A 64 12.614 8.835 -3.786 1.00 0.00 C ATOM 980 C LEU A 64 11.604 9.019 -4.980 1.00 0.00 C ATOM 981 O LEU A 64 12.023 9.271 -6.089 1.00 0.00 O ATOM 982 CB LEU A 64 14.085 8.662 -4.308 1.00 0.00 C ATOM 983 CG LEU A 64 14.446 7.190 -4.645 1.00 0.00 C ATOM 984 CD1 LEU A 64 13.493 6.613 -5.692 1.00 0.00 C ATOM 985 CD2 LEU A 64 15.839 7.202 -5.267 1.00 0.00 C ATOM 0 H LEU A 64 12.254 6.821 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 64 12.348 9.757 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.222 9.276 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.778 9.035 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 64 14.387 6.590 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.771 5.581 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.472 6.642 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.555 7.204 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.133 6.183 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.829 7.812 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.552 7.619 -4.556 1.00 0.00 H new ATOM 997 N LEU A 65 10.310 8.931 -4.793 1.00 0.00 N ATOM 998 CA LEU A 65 9.393 9.120 -5.989 1.00 0.00 C ATOM 999 C LEU A 65 8.741 10.526 -5.976 1.00 0.00 C ATOM 1000 O LEU A 65 7.605 10.733 -5.591 1.00 0.00 O ATOM 1001 CB LEU A 65 8.317 7.989 -5.955 1.00 0.00 C ATOM 1002 CG LEU A 65 7.410 8.057 -7.216 1.00 0.00 C ATOM 1003 CD1 LEU A 65 8.232 7.852 -8.491 1.00 0.00 C ATOM 1004 CD2 LEU A 65 6.400 6.918 -7.167 1.00 0.00 C ATOM 0 H LEU A 65 9.850 8.744 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 65 9.966 9.054 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.806 7.016 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.708 8.087 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 65 6.927 9.034 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.575 7.904 -9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.992 8.630 -8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.715 6.875 -8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.761 6.960 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.928 5.964 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.788 7.013 -6.270 1.00 0.00 H new ATOM 1016 N MET A 66 9.512 11.479 -6.414 1.00 0.00 N ATOM 1017 CA MET A 66 9.056 12.916 -6.472 1.00 0.00 C ATOM 1018 C MET A 66 8.526 13.241 -7.882 1.00 0.00 C ATOM 1019 O MET A 66 8.901 14.154 -8.588 1.00 0.00 O ATOM 1020 CB MET A 66 10.260 13.717 -6.104 1.00 0.00 C ATOM 1021 CG MET A 66 9.896 15.190 -5.825 1.00 0.00 C ATOM 1022 SD MET A 66 11.220 16.211 -5.133 1.00 0.00 S ATOM 1023 CE MET A 66 10.838 15.947 -3.384 1.00 0.00 C ATOM 0 H MET A 66 10.465 11.329 -6.745 1.00 0.00 H new ATOM 0 HA MET A 66 8.232 13.137 -5.794 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.730 13.284 -5.221 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.991 13.668 -6.911 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.562 15.645 -6.757 1.00 0.00 H new ATOM 0 HG3 MET A 66 9.050 15.212 -5.138 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.549 16.499 -2.769 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.828 16.299 -3.175 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.907 14.884 -3.153 1.00 0.00 H new ATOM 1033 N SER A 67 7.604 12.396 -8.177 1.00 0.00 N ATOM 1034 CA SER A 67 6.844 12.379 -9.483 1.00 0.00 C ATOM 1035 C SER A 67 5.406 12.988 -9.506 1.00 0.00 C ATOM 1036 O SER A 67 4.455 12.278 -9.775 1.00 0.00 O ATOM 1037 CB SER A 67 6.803 10.907 -9.923 1.00 0.00 C ATOM 1038 OG SER A 67 8.169 10.613 -10.195 1.00 0.00 O ATOM 0 H SER A 67 7.312 11.659 -7.536 1.00 0.00 H new ATOM 0 HA SER A 67 7.378 13.047 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.400 10.264 -9.141 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.177 10.767 -10.804 1.00 0.00 H new ATOM 0 HG SER A 67 8.288 10.475 -11.158 1.00 0.00 H new ATOM 1044 N PRO A 68 5.264 14.274 -9.248 1.00 0.00 N ATOM 1045 CA PRO A 68 3.936 14.960 -8.997 1.00 0.00 C ATOM 1046 C PRO A 68 2.801 14.772 -10.063 1.00 0.00 C ATOM 1047 O PRO A 68 2.424 15.691 -10.761 1.00 0.00 O ATOM 1048 CB PRO A 68 4.352 16.441 -8.794 1.00 0.00 C ATOM 1049 CG PRO A 68 5.662 16.532 -9.614 1.00 0.00 C ATOM 1050 CD PRO A 68 6.389 15.254 -9.203 1.00 0.00 C ATOM 0 HA PRO A 68 3.434 14.504 -8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.593 17.131 -9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.513 16.677 -7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.470 16.564 -10.686 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.236 17.425 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.193 14.994 -9.892 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.833 15.330 -8.210 1.00 0.00 H new ATOM 1058 N GLY A 69 2.289 13.578 -10.158 1.00 0.00 N ATOM 1059 CA GLY A 69 1.184 13.234 -11.142 1.00 0.00 C ATOM 1060 C GLY A 69 1.603 12.214 -12.205 1.00 0.00 C ATOM 1061 O GLY A 69 0.896 11.960 -13.155 1.00 0.00 O ATOM 0 H GLY A 69 2.590 12.791 -9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.329 12.842 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.853 14.147 -11.637 1.00 0.00 H new ATOM 1065 N GLN A 70 2.752 11.634 -12.018 1.00 0.00 N ATOM 1066 CA GLN A 70 3.292 10.611 -12.982 1.00 0.00 C ATOM 1067 C GLN A 70 3.201 9.184 -12.385 1.00 0.00 C ATOM 1068 O GLN A 70 3.164 9.001 -11.180 1.00 0.00 O ATOM 1069 CB GLN A 70 4.748 11.056 -13.280 1.00 0.00 C ATOM 1070 CG GLN A 70 5.591 9.927 -13.995 1.00 0.00 C ATOM 1071 CD GLN A 70 7.071 10.270 -13.964 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.663 10.437 -12.925 1.00 0.00 O ATOM 1073 NE2 GLN A 70 7.747 10.393 -15.045 1.00 0.00 N ATOM 0 H GLN A 70 3.361 11.824 -11.222 1.00 0.00 H new ATOM 0 HA GLN A 70 2.715 10.561 -13.905 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.731 11.946 -13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.238 11.335 -12.347 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.423 8.970 -13.500 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.259 9.815 -15.027 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.292 10.262 -15.949 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.740 10.622 -15.002 1.00 0.00 H new ATOM 1082 N SER A 71 3.154 8.211 -13.243 1.00 0.00 N ATOM 1083 CA SER A 71 3.064 6.781 -12.789 1.00 0.00 C ATOM 1084 C SER A 71 4.144 5.738 -13.145 1.00 0.00 C ATOM 1085 O SER A 71 5.038 5.928 -13.945 1.00 0.00 O ATOM 1086 CB SER A 71 1.748 6.253 -13.287 1.00 0.00 C ATOM 1087 OG SER A 71 1.855 6.315 -14.706 1.00 0.00 O ATOM 0 H SER A 71 3.174 8.336 -14.255 1.00 0.00 H new ATOM 0 HA SER A 71 3.208 6.875 -11.713 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.575 5.232 -12.946 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.915 6.856 -12.925 1.00 0.00 H new ATOM 0 HG SER A 71 1.006 6.040 -15.110 1.00 0.00 H new ATOM 1093 N THR A 72 4.001 4.632 -12.467 1.00 0.00 N ATOM 1094 CA THR A 72 4.909 3.431 -12.631 1.00 0.00 C ATOM 1095 C THR A 72 4.138 2.201 -13.138 1.00 0.00 C ATOM 1096 O THR A 72 3.153 1.826 -12.538 1.00 0.00 O ATOM 1097 CB THR A 72 5.574 3.027 -11.279 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.010 1.687 -11.456 1.00 0.00 O ATOM 1099 CG2 THR A 72 4.616 2.877 -10.135 1.00 0.00 C ATOM 0 H THR A 72 3.265 4.495 -11.775 1.00 0.00 H new ATOM 0 HA THR A 72 5.667 3.730 -13.356 1.00 0.00 H new ATOM 0 HB THR A 72 6.315 3.794 -11.056 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.374 1.077 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.164 2.595 -9.236 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.102 3.823 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.885 2.104 -10.372 1.00 0.00 H new ATOM 1107 N SER A 73 4.570 1.588 -14.206 1.00 0.00 N ATOM 1108 CA SER A 73 3.852 0.366 -14.741 1.00 0.00 C ATOM 1109 C SER A 73 4.438 -0.815 -13.962 1.00 0.00 C ATOM 1110 O SER A 73 5.309 -1.543 -14.398 1.00 0.00 O ATOM 1111 CB SER A 73 4.134 0.203 -16.236 1.00 0.00 C ATOM 1112 OG SER A 73 3.496 1.329 -16.832 1.00 0.00 O ATOM 0 H SER A 73 5.390 1.872 -14.742 1.00 0.00 H new ATOM 0 HA SER A 73 2.771 0.440 -14.621 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.204 0.196 -16.442 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.729 -0.734 -16.619 1.00 0.00 H new ATOM 0 HG SER A 73 3.630 1.305 -17.803 1.00 0.00 H new ATOM 1118 N THR A 74 3.896 -0.957 -12.794 1.00 0.00 N ATOM 1119 CA THR A 74 4.311 -2.029 -11.828 1.00 0.00 C ATOM 1120 C THR A 74 3.894 -3.416 -12.282 1.00 0.00 C ATOM 1121 O THR A 74 2.952 -4.019 -11.803 1.00 0.00 O ATOM 1122 CB THR A 74 3.695 -1.754 -10.447 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.057 -0.415 -10.130 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.471 -2.474 -9.369 1.00 0.00 C ATOM 0 H THR A 74 3.151 -0.354 -12.445 1.00 0.00 H new ATOM 0 HA THR A 74 5.400 -2.005 -11.778 1.00 0.00 H new ATOM 0 HB THR A 74 2.637 -2.013 -10.481 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.635 -0.153 -9.285 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.021 -2.268 -8.398 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.448 -3.547 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.504 -2.127 -9.371 1.00 0.00 H new ATOM 1132 N THR A 75 4.640 -3.891 -13.231 1.00 0.00 N ATOM 1133 CA THR A 75 4.366 -5.256 -13.797 1.00 0.00 C ATOM 1134 C THR A 75 5.201 -6.286 -13.039 1.00 0.00 C ATOM 1135 O THR A 75 6.316 -6.012 -12.630 1.00 0.00 O ATOM 1136 CB THR A 75 4.734 -5.248 -15.301 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.872 -6.207 -15.885 1.00 0.00 O ATOM 1138 CG2 THR A 75 6.085 -5.858 -15.654 1.00 0.00 C ATOM 0 H THR A 75 5.432 -3.401 -13.647 1.00 0.00 H new ATOM 0 HA THR A 75 3.313 -5.516 -13.690 1.00 0.00 H new ATOM 0 HB THR A 75 4.695 -4.205 -15.616 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.335 -6.634 -15.185 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.240 -5.800 -16.731 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.876 -5.310 -15.143 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.106 -6.902 -15.340 1.00 0.00 H new ATOM 1146 N PHE A 76 4.662 -7.453 -12.874 1.00 0.00 N ATOM 1147 CA PHE A 76 5.422 -8.523 -12.127 1.00 0.00 C ATOM 1148 C PHE A 76 6.126 -9.584 -13.035 1.00 0.00 C ATOM 1149 O PHE A 76 5.611 -9.932 -14.084 1.00 0.00 O ATOM 1150 CB PHE A 76 4.409 -9.203 -11.176 1.00 0.00 C ATOM 1151 CG PHE A 76 3.871 -8.247 -10.084 1.00 0.00 C ATOM 1152 CD1 PHE A 76 3.164 -7.101 -10.401 1.00 0.00 C ATOM 1153 CD2 PHE A 76 4.086 -8.528 -8.751 1.00 0.00 C ATOM 1154 CE1 PHE A 76 2.687 -6.259 -9.422 1.00 0.00 C ATOM 1155 CE2 PHE A 76 3.605 -7.685 -7.763 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.907 -6.547 -8.100 1.00 0.00 C ATOM 0 H PHE A 76 3.740 -7.726 -13.213 1.00 0.00 H new ATOM 0 HA PHE A 76 6.244 -8.047 -11.592 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.572 -9.587 -11.759 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.885 -10.060 -10.699 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.982 -6.862 -11.438 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.636 -9.416 -8.474 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.138 -5.370 -9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.778 -7.921 -6.724 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.536 -5.887 -7.330 1.00 0.00 H new ATOM 1166 N PRO A 77 7.279 -10.071 -12.627 1.00 0.00 N ATOM 1167 CA PRO A 77 8.034 -11.135 -13.378 1.00 0.00 C ATOM 1168 C PRO A 77 7.412 -12.564 -13.464 1.00 0.00 C ATOM 1169 O PRO A 77 8.081 -13.554 -13.252 1.00 0.00 O ATOM 1170 CB PRO A 77 9.401 -11.117 -12.688 1.00 0.00 C ATOM 1171 CG PRO A 77 9.135 -10.633 -11.257 1.00 0.00 C ATOM 1172 CD PRO A 77 7.986 -9.630 -11.380 1.00 0.00 C ATOM 0 HA PRO A 77 8.043 -10.901 -14.442 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.853 -12.109 -12.689 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.092 -10.451 -13.205 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.865 -11.463 -10.604 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.021 -10.166 -10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.328 -9.662 -10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.352 -8.607 -11.465 1.00 0.00 H new ATOM 1180 N ALA A 78 6.155 -12.633 -13.807 1.00 0.00 N ATOM 1181 CA ALA A 78 5.429 -13.953 -13.917 1.00 0.00 C ATOM 1182 C ALA A 78 5.723 -14.912 -12.709 1.00 0.00 C ATOM 1183 O ALA A 78 5.708 -16.125 -12.811 1.00 0.00 O ATOM 1184 CB ALA A 78 5.867 -14.556 -15.279 1.00 0.00 C ATOM 0 H ALA A 78 5.580 -11.819 -14.022 1.00 0.00 H new ATOM 0 HA ALA A 78 4.349 -13.811 -13.877 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.377 -15.518 -15.425 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.584 -13.878 -16.085 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.948 -14.695 -15.284 1.00 0.00 H new ATOM 1190 N ASP A 79 5.964 -14.259 -11.610 1.00 0.00 N ATOM 1191 CA ASP A 79 6.275 -14.870 -10.283 1.00 0.00 C ATOM 1192 C ASP A 79 5.024 -14.853 -9.338 1.00 0.00 C ATOM 1193 O ASP A 79 4.492 -15.867 -8.930 1.00 0.00 O ATOM 1194 CB ASP A 79 7.486 -14.021 -9.739 1.00 0.00 C ATOM 1195 CG ASP A 79 7.140 -12.548 -9.517 1.00 0.00 C ATOM 1196 OD1 ASP A 79 6.482 -11.963 -10.362 1.00 0.00 O ATOM 1197 OD2 ASP A 79 7.550 -12.054 -8.492 1.00 0.00 O ATOM 0 H ASP A 79 5.957 -13.240 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 79 6.537 -15.926 -10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.830 -14.452 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.315 -14.090 -10.443 1.00 0.00 H new ATOM 1202 N ALA A 80 4.635 -13.647 -9.048 1.00 0.00 N ATOM 1203 CA ALA A 80 3.482 -13.246 -8.178 1.00 0.00 C ATOM 1204 C ALA A 80 2.443 -14.336 -7.725 1.00 0.00 C ATOM 1205 O ALA A 80 1.357 -14.411 -8.278 1.00 0.00 O ATOM 1206 CB ALA A 80 2.846 -12.100 -8.972 1.00 0.00 C ATOM 0 H ALA A 80 5.125 -12.834 -9.421 1.00 0.00 H new ATOM 0 HA ALA A 80 3.857 -12.986 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.981 -11.718 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.574 -11.300 -9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.530 -12.466 -9.949 1.00 0.00 H new ATOM 1212 N PRO A 81 2.778 -15.150 -6.744 1.00 0.00 N ATOM 1213 CA PRO A 81 1.790 -16.112 -6.159 1.00 0.00 C ATOM 1214 C PRO A 81 0.528 -15.394 -5.598 1.00 0.00 C ATOM 1215 O PRO A 81 0.528 -14.191 -5.403 1.00 0.00 O ATOM 1216 CB PRO A 81 2.637 -16.866 -5.104 1.00 0.00 C ATOM 1217 CG PRO A 81 3.709 -15.809 -4.717 1.00 0.00 C ATOM 1218 CD PRO A 81 4.112 -15.229 -6.082 1.00 0.00 C ATOM 0 HA PRO A 81 1.350 -16.798 -6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.039 -17.171 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.087 -17.769 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.304 -15.044 -4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.557 -16.261 -4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.590 -14.253 -5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.805 -15.876 -6.620 1.00 0.00 H new ATOM 1226 N ALA A 82 -0.509 -16.144 -5.336 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.747 -15.500 -4.799 1.00 0.00 C ATOM 1228 C ALA A 82 -1.629 -15.055 -3.309 1.00 0.00 C ATOM 1229 O ALA A 82 -0.789 -15.503 -2.551 1.00 0.00 O ATOM 1230 CB ALA A 82 -2.895 -16.527 -5.047 1.00 0.00 C ATOM 0 H ALA A 82 -0.556 -17.155 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.944 -14.558 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.835 -16.118 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.982 -16.725 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.671 -17.456 -4.523 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.508 -14.163 -2.941 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.546 -13.597 -1.533 1.00 0.00 C ATOM 1238 C GLY A 83 -2.394 -12.070 -1.587 1.00 0.00 C ATOM 1239 O GLY A 83 -2.616 -11.497 -2.631 1.00 0.00 O ATOM 0 H GLY A 83 -3.224 -13.785 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.486 -13.862 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.746 -14.031 -0.934 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.030 -11.438 -0.507 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.866 -9.932 -0.502 1.00 0.00 C ATOM 1245 C GLU A 84 -0.421 -9.376 -0.321 1.00 0.00 C ATOM 1246 O GLU A 84 0.337 -9.864 0.489 1.00 0.00 O ATOM 1247 CB GLU A 84 -2.739 -9.373 0.631 1.00 0.00 C ATOM 1248 CG GLU A 84 -2.701 -7.799 0.596 1.00 0.00 C ATOM 1249 CD GLU A 84 -2.892 -7.216 1.984 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -4.012 -7.220 2.449 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -1.870 -6.785 2.490 1.00 0.00 O ATOM 0 H GLU A 84 -1.835 -11.891 0.386 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.160 -9.611 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.765 -9.725 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.379 -9.735 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.748 -7.464 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.482 -7.428 -0.068 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.082 -8.390 -1.105 1.00 0.00 N ATOM 1259 CA TYR A 85 1.261 -7.723 -1.043 1.00 0.00 C ATOM 1260 C TYR A 85 1.062 -6.237 -0.626 1.00 0.00 C ATOM 1261 O TYR A 85 0.568 -5.462 -1.428 1.00 0.00 O ATOM 1262 CB TYR A 85 1.946 -7.715 -2.422 1.00 0.00 C ATOM 1263 CG TYR A 85 2.205 -9.094 -3.003 1.00 0.00 C ATOM 1264 CD1 TYR A 85 3.325 -9.809 -2.645 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.318 -9.635 -3.902 1.00 0.00 C ATOM 1266 CE1 TYR A 85 3.552 -11.058 -3.186 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.561 -10.884 -4.431 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.665 -11.589 -4.078 1.00 0.00 C ATOM 1269 OH TYR A 85 2.849 -12.825 -4.635 1.00 0.00 O ATOM 0 H TYR A 85 -0.702 -8.001 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 85 1.876 -8.272 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.326 -7.151 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.895 -7.185 -2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.028 -9.392 -1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.435 -9.085 -4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.432 -11.616 -2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.862 -11.308 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 85 1.979 -13.213 -4.865 1.00 0.00 H new ATOM 1279 N THR A 86 1.418 -5.856 0.569 1.00 0.00 N ATOM 1280 CA THR A 86 1.225 -4.400 0.948 1.00 0.00 C ATOM 1281 C THR A 86 2.455 -3.509 0.660 1.00 0.00 C ATOM 1282 O THR A 86 3.595 -3.896 0.846 1.00 0.00 O ATOM 1283 CB THR A 86 0.914 -4.237 2.474 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.483 -4.346 2.681 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.992 -2.793 2.932 1.00 0.00 C ATOM 0 H THR A 86 1.822 -6.455 1.289 1.00 0.00 H new ATOM 0 HA THR A 86 0.389 -4.078 0.327 1.00 0.00 H new ATOM 0 HB THR A 86 1.589 -4.944 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.759 -5.279 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.768 -2.737 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.996 -2.408 2.751 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.269 -2.196 2.377 1.00 0.00 H new ATOM 1293 N PHE A 87 2.159 -2.327 0.194 1.00 0.00 N ATOM 1294 CA PHE A 87 3.159 -1.276 -0.147 1.00 0.00 C ATOM 1295 C PHE A 87 2.999 0.012 0.708 1.00 0.00 C ATOM 1296 O PHE A 87 1.933 0.595 0.776 1.00 0.00 O ATOM 1297 CB PHE A 87 3.063 -0.848 -1.642 1.00 0.00 C ATOM 1298 CG PHE A 87 1.814 -1.311 -2.365 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.637 -2.641 -2.631 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.868 -0.404 -2.771 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.526 -3.073 -3.300 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.252 -0.827 -3.444 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.429 -2.166 -3.712 1.00 0.00 C ATOM 0 H PHE A 87 1.197 -2.031 0.026 1.00 0.00 H new ATOM 0 HA PHE A 87 4.125 -1.736 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.113 0.239 -1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.934 -1.234 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.381 -3.355 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.005 0.646 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.395 -4.125 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.994 -0.110 -3.763 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.308 -2.504 -4.240 1.00 0.00 H new ATOM 1313 N TYR A 88 4.044 0.443 1.340 1.00 0.00 N ATOM 1314 CA TYR A 88 4.013 1.671 2.193 1.00 0.00 C ATOM 1315 C TYR A 88 4.854 2.852 1.658 1.00 0.00 C ATOM 1316 O TYR A 88 5.834 2.657 0.974 1.00 0.00 O ATOM 1317 CB TYR A 88 4.477 1.249 3.629 1.00 0.00 C ATOM 1318 CG TYR A 88 5.627 0.240 3.593 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.396 -1.051 3.182 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.900 0.588 3.972 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.417 -1.965 3.153 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.922 -0.342 3.943 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.682 -1.629 3.534 1.00 0.00 C ATOM 1324 OH TYR A 88 8.657 -2.604 3.523 1.00 0.00 O ATOM 0 H TYR A 88 4.954 -0.016 1.304 1.00 0.00 H new ATOM 0 HA TYR A 88 2.994 2.057 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.790 2.134 4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.634 0.817 4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.403 -1.348 2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.105 1.598 4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.215 -2.973 2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.918 -0.053 4.245 1.00 0.00 H new ATOM 0 HH TYR A 88 8.363 -3.366 4.064 1.00 0.00 H new ATOM 1334 N CYS A 89 4.437 4.044 1.976 1.00 0.00 N ATOM 1335 CA CYS A 89 5.155 5.295 1.526 1.00 0.00 C ATOM 1336 C CYS A 89 5.831 6.112 2.678 1.00 0.00 C ATOM 1337 O CYS A 89 5.690 7.312 2.757 1.00 0.00 O ATOM 1338 CB CYS A 89 4.055 6.081 0.764 1.00 0.00 C ATOM 1339 SG CYS A 89 4.368 7.736 0.102 1.00 0.00 S ATOM 0 H CYS A 89 3.608 4.220 2.543 1.00 0.00 H new ATOM 0 HA CYS A 89 6.019 5.065 0.903 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.742 5.458 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.201 6.164 1.436 1.00 0.00 H new ATOM 1344 N GLU A 90 6.551 5.450 3.538 1.00 0.00 N ATOM 1345 CA GLU A 90 7.275 6.071 4.716 1.00 0.00 C ATOM 1346 C GLU A 90 7.386 7.627 4.911 1.00 0.00 C ATOM 1347 O GLU A 90 6.892 8.116 5.909 1.00 0.00 O ATOM 1348 CB GLU A 90 8.697 5.415 4.721 1.00 0.00 C ATOM 1349 CG GLU A 90 8.591 3.841 4.838 1.00 0.00 C ATOM 1350 CD GLU A 90 7.706 3.351 5.959 1.00 0.00 C ATOM 1351 OE1 GLU A 90 6.502 3.423 5.823 1.00 0.00 O ATOM 1352 OE2 GLU A 90 8.257 2.921 6.947 1.00 0.00 O ATOM 0 H GLU A 90 6.682 4.440 3.478 1.00 0.00 H new ATOM 0 HA GLU A 90 6.622 5.861 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.228 5.681 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.280 5.807 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.214 3.445 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.592 3.432 4.978 1.00 0.00 H new ATOM 1359 N PRO A 91 7.995 8.396 4.033 1.00 0.00 N ATOM 1360 CA PRO A 91 7.996 9.903 4.143 1.00 0.00 C ATOM 1361 C PRO A 91 6.586 10.495 4.423 1.00 0.00 C ATOM 1362 O PRO A 91 6.391 11.535 5.019 1.00 0.00 O ATOM 1363 CB PRO A 91 8.628 10.338 2.798 1.00 0.00 C ATOM 1364 CG PRO A 91 8.398 9.094 1.882 1.00 0.00 C ATOM 1365 CD PRO A 91 8.717 7.928 2.822 1.00 0.00 C ATOM 0 HA PRO A 91 8.557 10.280 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.147 11.230 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.688 10.569 2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.374 9.047 1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.053 9.104 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.342 6.974 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.787 7.805 2.992 1.00 0.00 H new ATOM 1373 N HIS A 92 5.640 9.749 3.950 1.00 0.00 N ATOM 1374 CA HIS A 92 4.178 10.029 4.044 1.00 0.00 C ATOM 1375 C HIS A 92 3.492 9.035 5.041 1.00 0.00 C ATOM 1376 O HIS A 92 2.359 8.621 4.875 1.00 0.00 O ATOM 1377 CB HIS A 92 3.744 9.913 2.564 1.00 0.00 C ATOM 1378 CG HIS A 92 2.265 10.044 2.259 1.00 0.00 C ATOM 1379 ND1 HIS A 92 1.847 9.885 1.013 1.00 0.00 N ATOM 1380 CD2 HIS A 92 1.200 10.314 3.097 1.00 0.00 C ATOM 1381 CE1 HIS A 92 0.548 10.057 1.095 1.00 0.00 C ATOM 1382 NE2 HIS A 92 0.186 10.300 2.301 1.00 0.00 N ATOM 0 H HIS A 92 5.838 8.878 3.458 1.00 0.00 H new ATOM 0 HA HIS A 92 3.896 10.997 4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.274 10.678 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.081 8.947 2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.214 10.493 4.162 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.129 10.001 0.255 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -0.778 10.461 2.592 1.00 0.00 H new ATOM 1390 N ARG A 93 4.174 8.667 6.090 1.00 0.00 N ATOM 1391 CA ARG A 93 3.580 7.709 7.098 1.00 0.00 C ATOM 1392 C ARG A 93 2.599 8.346 8.131 1.00 0.00 C ATOM 1393 O ARG A 93 2.633 8.086 9.315 1.00 0.00 O ATOM 1394 CB ARG A 93 4.786 7.030 7.795 1.00 0.00 C ATOM 1395 CG ARG A 93 5.591 8.040 8.668 1.00 0.00 C ATOM 1396 CD ARG A 93 6.997 7.489 8.915 1.00 0.00 C ATOM 1397 NE ARG A 93 6.842 6.112 9.518 1.00 0.00 N ATOM 1398 CZ ARG A 93 7.231 5.089 8.877 1.00 0.00 C ATOM 1399 NH1 ARG A 93 8.451 4.842 8.828 1.00 0.00 N ATOM 1400 NH2 ARG A 93 6.370 4.383 8.322 1.00 0.00 N ATOM 0 H ARG A 93 5.120 8.983 6.303 1.00 0.00 H new ATOM 0 HA ARG A 93 2.941 6.998 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.431 6.211 8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.443 6.595 7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.650 9.006 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.081 8.205 9.617 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.559 7.439 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.553 8.142 9.587 1.00 0.00 H new ATOM 0 HE ARG A 93 6.424 6.005 10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.115 5.457 9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.786 4.025 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.384 4.634 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.650 3.554 7.799 1.00 0.00 H new ATOM 1414 N GLY A 94 1.736 9.172 7.605 1.00 0.00 N ATOM 1415 CA GLY A 94 0.682 9.904 8.422 1.00 0.00 C ATOM 1416 C GLY A 94 -0.704 9.669 7.824 1.00 0.00 C ATOM 1417 O GLY A 94 -1.605 9.148 8.443 1.00 0.00 O ATOM 0 H GLY A 94 1.705 9.387 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.705 9.556 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.902 10.971 8.441 1.00 0.00 H new ATOM 1421 N ALA A 95 -0.843 10.053 6.590 1.00 0.00 N ATOM 1422 CA ALA A 95 -2.149 9.880 5.876 1.00 0.00 C ATOM 1423 C ALA A 95 -2.143 8.465 5.219 1.00 0.00 C ATOM 1424 O ALA A 95 -2.123 8.291 4.019 1.00 0.00 O ATOM 1425 CB ALA A 95 -2.231 11.045 4.858 1.00 0.00 C ATOM 0 H ALA A 95 -0.105 10.484 6.034 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.028 9.922 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.166 10.977 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.194 11.996 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.391 10.983 4.166 1.00 0.00 H new ATOM 1431 N GLY A 96 -2.153 7.509 6.112 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.148 6.018 5.815 1.00 0.00 C ATOM 1433 C GLY A 96 -1.842 5.525 4.396 1.00 0.00 C ATOM 1434 O GLY A 96 -2.579 4.731 3.845 1.00 0.00 O ATOM 0 H GLY A 96 -2.165 7.707 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.422 5.556 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.128 5.628 6.090 1.00 0.00 H new ATOM 1438 N MET A 97 -0.761 5.972 3.827 1.00 0.00 N ATOM 1439 CA MET A 97 -0.424 5.512 2.437 1.00 0.00 C ATOM 1440 C MET A 97 0.291 4.119 2.396 1.00 0.00 C ATOM 1441 O MET A 97 1.443 3.954 2.040 1.00 0.00 O ATOM 1442 CB MET A 97 0.429 6.660 1.798 1.00 0.00 C ATOM 1443 CG MET A 97 0.662 6.314 0.303 1.00 0.00 C ATOM 1444 SD MET A 97 1.189 7.607 -0.844 1.00 0.00 S ATOM 1445 CE MET A 97 -0.495 8.112 -1.273 1.00 0.00 C ATOM 0 H MET A 97 -0.100 6.625 4.248 1.00 0.00 H new ATOM 0 HA MET A 97 -1.333 5.337 1.862 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.088 7.615 1.891 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.382 6.761 2.318 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.409 5.521 0.265 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.267 5.895 -0.083 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.461 9.026 -1.866 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.976 7.322 -1.851 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.064 8.292 -0.361 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.487 3.154 2.805 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.092 1.694 2.873 1.00 0.00 C ATOM 1457 C VAL A 98 -0.988 0.873 1.879 1.00 0.00 C ATOM 1458 O VAL A 98 -1.886 0.149 2.278 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.283 1.271 4.360 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.177 -0.171 4.569 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.609 2.142 5.268 1.00 0.00 C ATOM 0 H VAL A 98 -1.444 3.321 3.117 1.00 0.00 H new ATOM 0 HA VAL A 98 0.940 1.510 2.574 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.340 1.384 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.037 -0.450 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.409 -0.835 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.232 -0.258 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.472 1.843 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.654 2.010 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.332 3.190 5.153 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.713 0.981 0.606 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.524 0.255 -0.457 1.00 0.00 C ATOM 1473 C GLY A 99 -1.451 -1.267 -0.497 1.00 0.00 C ATOM 1474 O GLY A 99 -0.546 -1.862 0.039 1.00 0.00 O ATOM 0 H GLY A 99 0.050 1.548 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.569 0.536 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.210 0.630 -1.431 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.428 -1.854 -1.125 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.522 -3.349 -1.268 1.00 0.00 C ATOM 1480 C LYS A 100 -2.910 -4.019 -2.613 1.00 0.00 C ATOM 1481 O LYS A 100 -3.993 -3.818 -3.126 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.500 -3.806 -0.169 1.00 0.00 C ATOM 1483 CG LYS A 100 -2.673 -4.112 1.052 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.569 -4.230 2.310 1.00 0.00 C ATOM 1485 CE LYS A 100 -3.791 -2.893 2.920 1.00 0.00 C ATOM 1486 NZ LYS A 100 -2.430 -2.411 3.296 1.00 0.00 N ATOM 0 H LYS A 100 -3.197 -1.348 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.487 -3.683 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.232 -3.027 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.057 -4.687 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.126 -5.043 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.932 -3.327 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.526 -4.677 2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.100 -4.894 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.271 -2.213 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.441 -2.960 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.415 -2.166 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.733 -3.160 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.192 -1.570 2.733 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.023 -4.795 -3.168 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.315 -5.508 -4.454 1.00 0.00 C ATOM 1502 C ILE A 101 -2.417 -7.003 -4.015 1.00 0.00 C ATOM 1503 O ILE A 101 -1.554 -7.575 -3.380 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.138 -5.301 -5.517 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.781 -5.322 -6.932 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.105 -6.435 -5.474 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.727 -5.458 -8.085 1.00 0.00 C ATOM 0 H ILE A 101 -1.094 -4.971 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.215 -5.141 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.632 -4.364 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.485 -6.152 -6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.354 -4.406 -7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.673 -6.247 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.343 -6.482 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.596 -7.383 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.239 -5.467 -9.047 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.037 -4.615 -8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.171 -6.387 -7.962 1.00 0.00 H new ATOM 1519 N THR A 102 -3.504 -7.600 -4.358 1.00 0.00 N ATOM 1520 CA THR A 102 -3.791 -9.044 -4.034 1.00 0.00 C ATOM 1521 C THR A 102 -3.794 -9.869 -5.292 1.00 0.00 C ATOM 1522 O THR A 102 -4.306 -9.407 -6.284 1.00 0.00 O ATOM 1523 CB THR A 102 -5.184 -9.242 -3.392 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.106 -8.366 -4.015 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.220 -8.759 -1.982 1.00 0.00 C ATOM 0 H THR A 102 -4.253 -7.140 -4.875 1.00 0.00 H new ATOM 0 HA THR A 102 -3.011 -9.352 -3.338 1.00 0.00 H new ATOM 0 HB THR A 102 -5.408 -10.305 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.620 -7.634 -4.449 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.216 -8.917 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.490 -9.311 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.980 -7.696 -1.955 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.242 -11.044 -5.286 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.273 -11.844 -6.558 1.00 0.00 C ATOM 1535 C VAL A 103 -4.157 -13.090 -6.421 1.00 0.00 C ATOM 1536 O VAL A 103 -4.069 -13.788 -5.429 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.818 -12.226 -6.907 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.743 -12.705 -8.343 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.925 -11.034 -6.718 1.00 0.00 C ATOM 0 H VAL A 103 -2.782 -11.484 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.710 -11.248 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.488 -13.029 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.714 -12.973 -8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.384 -13.577 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.076 -11.910 -9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.101 -11.306 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.254 -10.226 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.973 -10.704 -5.680 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.986 -13.311 -7.403 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.903 -14.504 -7.391 1.00 0.00 C ATOM 1551 C ALA A 104 -6.008 -15.273 -8.751 1.00 0.00 C ATOM 1552 O ALA A 104 -5.467 -16.352 -8.898 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.279 -13.953 -6.898 1.00 0.00 C ATOM 0 H ALA A 104 -5.074 -12.714 -8.225 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.505 -15.274 -6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.005 -14.766 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.164 -13.525 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.630 -13.183 -7.585 1.00 0.00 H new ATOM 1559 N GLY A 105 -6.705 -14.668 -9.667 1.00 0.00 N ATOM 1560 CA GLY A 105 -6.961 -15.191 -11.056 1.00 0.00 C ATOM 1561 C GLY A 105 -6.996 -14.030 -12.051 1.00 0.00 C ATOM 1562 O GLY A 105 -6.427 -14.191 -13.115 1.00 0.00 O ATOM 1563 OXT GLY A 105 -7.605 -13.040 -11.680 1.00 0.00 O ATOM 0 H GLY A 105 -7.144 -13.762 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.181 -15.899 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.907 -15.732 -11.082 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 2.666 9.056 -0.327 1.00 0.00 CU