USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 677 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 25 HIS HE2 : A 25 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD Single : A 1 GLU N :NH3+ 132:sc= 0.0853 (180deg=-0.0245) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.063) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 77:sc= 0.0162 USER MOD Single : A 22 HIS : no HE2:sc=-0.00765 K(o=-0.0077,f=-0.85) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.537 USER MOD Single : A 32 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 36 THR OG1 : rot 169:sc= 1.01 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.098) USER MOD Single : A 48 MET CE :methyl 151:sc= 0 (180deg=-0.149) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 31:sc= -0.0691 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -111:sc= -2.09 (180deg=-5.93!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0343) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.123 -18.947 -25.279 1.00 0.00 N ATOM 2 CA GLU A 1 6.016 -18.300 -24.529 1.00 0.00 C ATOM 3 C GLU A 1 5.339 -17.222 -25.368 1.00 0.00 C ATOM 4 O GLU A 1 5.855 -16.815 -26.408 1.00 0.00 O ATOM 5 CB GLU A 1 6.588 -17.691 -23.247 1.00 0.00 C ATOM 6 CG GLU A 1 7.638 -16.621 -23.498 1.00 0.00 C ATOM 7 CD GLU A 1 7.701 -15.594 -22.386 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.105 -15.960 -21.262 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.346 -14.423 -22.637 1.00 0.00 O ATOM 0 H1 GLU A 1 7.971 -18.989 -24.678 1.00 0.00 H new ATOM 0 H2 GLU A 1 6.842 -19.911 -25.550 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.332 -18.394 -26.135 1.00 0.00 H new ATOM 0 HA GLU A 1 5.262 -19.048 -24.286 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.774 -17.260 -22.665 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.027 -18.484 -22.642 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.614 -17.094 -23.607 1.00 0.00 H new ATOM 0 HG3 GLU A 1 7.421 -16.118 -24.440 1.00 0.00 H new ATOM 18 N SER A 2 4.178 -16.764 -24.909 1.00 0.00 N ATOM 19 CA SER A 2 3.429 -15.732 -25.616 1.00 0.00 C ATOM 20 C SER A 2 2.757 -14.779 -24.633 1.00 0.00 C ATOM 21 O SER A 2 2.599 -15.095 -23.454 1.00 0.00 O ATOM 22 CB SER A 2 2.381 -16.370 -26.529 1.00 0.00 C ATOM 23 OG SER A 2 2.841 -16.441 -27.867 1.00 0.00 O ATOM 0 H SER A 2 3.736 -17.092 -24.050 1.00 0.00 H new ATOM 0 HA SER A 2 4.129 -15.160 -26.225 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.144 -17.371 -26.170 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.459 -15.790 -26.489 1.00 0.00 H new ATOM 0 HG SER A 2 2.152 -16.854 -28.428 1.00 0.00 H new ATOM 29 N LYS A 3 2.363 -13.609 -25.128 1.00 0.00 N ATOM 30 CA LYS A 3 1.707 -12.609 -24.295 1.00 0.00 C ATOM 31 C LYS A 3 2.613 -12.180 -23.144 1.00 0.00 C ATOM 32 O LYS A 3 2.742 -12.887 -22.144 1.00 0.00 O ATOM 33 CB LYS A 3 0.388 -13.158 -23.744 1.00 0.00 C ATOM 34 CG LYS A 3 -0.814 -12.839 -24.618 1.00 0.00 C ATOM 35 CD LYS A 3 -1.957 -12.251 -23.805 1.00 0.00 C ATOM 36 CE LYS A 3 -3.303 -12.531 -24.453 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.381 -12.709 -23.441 1.00 0.00 N ATOM 0 H LYS A 3 2.487 -13.331 -26.102 1.00 0.00 H new ATOM 0 HA LYS A 3 1.499 -11.737 -24.915 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.471 -14.239 -23.635 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.221 -12.749 -22.747 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.521 -12.135 -25.397 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.152 -13.746 -25.118 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.942 -12.670 -22.799 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.817 -11.175 -23.704 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.563 -11.709 -25.119 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.230 -13.428 -25.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.283 -12.898 -23.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.146 -13.510 -22.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.468 -11.844 -22.871 1.00 0.00 H new ATOM 51 N LYS A 4 3.239 -11.017 -23.294 1.00 0.00 N ATOM 52 CA LYS A 4 4.132 -10.494 -22.266 1.00 0.00 C ATOM 53 C LYS A 4 3.954 -8.987 -22.106 1.00 0.00 C ATOM 54 O LYS A 4 4.671 -8.198 -22.721 1.00 0.00 O ATOM 55 CB LYS A 4 5.588 -10.812 -22.615 1.00 0.00 C ATOM 56 CG LYS A 4 5.959 -10.465 -24.050 1.00 0.00 C ATOM 57 CD LYS A 4 6.249 -11.713 -24.869 1.00 0.00 C ATOM 58 CE LYS A 4 7.737 -12.028 -24.894 1.00 0.00 C ATOM 59 NZ LYS A 4 8.466 -11.191 -25.886 1.00 0.00 N ATOM 0 H LYS A 4 3.145 -10.420 -24.116 1.00 0.00 H new ATOM 0 HA LYS A 4 3.878 -10.975 -21.321 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.243 -10.266 -21.937 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.770 -11.874 -22.448 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.145 -9.906 -24.512 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.834 -9.815 -24.054 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.704 -12.559 -24.451 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.888 -11.573 -25.888 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.159 -11.865 -23.902 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.881 -13.082 -25.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.476 -11.437 -25.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.081 -11.365 -26.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.351 -10.186 -25.644 1.00 0.00 H new ATOM 73 N GLU A 5 2.993 -8.596 -21.275 1.00 0.00 N ATOM 74 CA GLU A 5 2.720 -7.184 -21.033 1.00 0.00 C ATOM 75 C GLU A 5 3.712 -6.602 -20.029 1.00 0.00 C ATOM 76 O GLU A 5 4.314 -7.334 -19.242 1.00 0.00 O ATOM 77 CB GLU A 5 1.289 -6.999 -20.525 1.00 0.00 C ATOM 78 CG GLU A 5 0.316 -6.547 -21.601 1.00 0.00 C ATOM 79 CD GLU A 5 -1.042 -6.171 -21.039 1.00 0.00 C ATOM 80 OE1 GLU A 5 -1.758 -7.079 -20.563 1.00 0.00 O ATOM 81 OE2 GLU A 5 -1.388 -4.972 -21.072 1.00 0.00 O ATOM 0 H GLU A 5 2.391 -9.237 -20.758 1.00 0.00 H new ATOM 0 HA GLU A 5 2.833 -6.650 -21.977 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.938 -7.940 -20.101 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.291 -6.267 -19.717 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.736 -5.691 -22.129 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.194 -7.345 -22.333 1.00 0.00 H new ATOM 88 N PRO A 6 3.895 -5.271 -20.041 1.00 0.00 N ATOM 89 CA PRO A 6 4.818 -4.593 -19.126 1.00 0.00 C ATOM 90 C PRO A 6 4.283 -4.537 -17.700 1.00 0.00 C ATOM 91 O PRO A 6 3.127 -4.877 -17.445 1.00 0.00 O ATOM 92 CB PRO A 6 4.924 -3.186 -19.714 1.00 0.00 C ATOM 93 CG PRO A 6 3.631 -2.975 -20.420 1.00 0.00 C ATOM 94 CD PRO A 6 3.217 -4.323 -20.946 1.00 0.00 C ATOM 0 HA PRO A 6 5.774 -5.112 -19.049 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.075 -2.441 -18.933 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.768 -3.105 -20.400 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.878 -2.573 -19.742 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.743 -2.257 -21.233 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.135 -4.448 -20.920 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.530 -4.463 -21.981 1.00 0.00 H new ATOM 102 N GLU A 7 5.132 -4.104 -16.773 1.00 0.00 N ATOM 103 CA GLU A 7 4.745 -4.002 -15.369 1.00 0.00 C ATOM 104 C GLU A 7 5.887 -3.436 -14.533 1.00 0.00 C ATOM 105 O GLU A 7 6.938 -4.062 -14.392 1.00 0.00 O ATOM 106 CB GLU A 7 4.335 -5.374 -14.830 1.00 0.00 C ATOM 107 CG GLU A 7 5.407 -6.439 -14.993 1.00 0.00 C ATOM 108 CD GLU A 7 4.903 -7.829 -14.655 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.888 -8.252 -15.245 1.00 0.00 O ATOM 110 OE2 GLU A 7 5.526 -8.493 -13.800 1.00 0.00 O ATOM 0 H GLU A 7 6.092 -3.818 -16.968 1.00 0.00 H new ATOM 0 HA GLU A 7 3.895 -3.324 -15.300 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.086 -5.280 -13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.430 -5.700 -15.342 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.772 -6.428 -16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.255 -6.198 -14.351 1.00 0.00 H new ATOM 117 N PHE A 8 5.675 -2.247 -13.978 1.00 0.00 N ATOM 118 CA PHE A 8 6.688 -1.595 -13.156 1.00 0.00 C ATOM 119 C PHE A 8 6.118 -1.208 -11.794 1.00 0.00 C ATOM 120 O PHE A 8 5.705 -0.068 -11.584 1.00 0.00 O ATOM 121 CB PHE A 8 7.228 -0.353 -13.866 1.00 0.00 C ATOM 122 CG PHE A 8 8.483 0.195 -13.246 1.00 0.00 C ATOM 123 CD1 PHE A 8 9.591 -0.617 -13.058 1.00 0.00 C ATOM 124 CD2 PHE A 8 8.555 1.521 -12.849 1.00 0.00 C ATOM 125 CE1 PHE A 8 10.745 -0.116 -12.489 1.00 0.00 C ATOM 126 CE2 PHE A 8 9.706 2.027 -12.279 1.00 0.00 C ATOM 127 CZ PHE A 8 10.804 1.207 -12.099 1.00 0.00 C ATOM 0 H PHE A 8 4.811 -1.715 -14.083 1.00 0.00 H new ATOM 0 HA PHE A 8 7.504 -2.301 -13.001 1.00 0.00 H new ATOM 0 HB2 PHE A 8 7.425 -0.598 -14.910 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.461 0.422 -13.860 1.00 0.00 H new ATOM 0 HD1 PHE A 8 9.551 -1.653 -13.360 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.700 2.166 -12.987 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.601 -0.759 -12.349 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.748 3.062 -11.974 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.706 1.600 -11.654 1.00 0.00 H new ATOM 137 N PRO A 9 6.086 -2.159 -10.843 1.00 0.00 N ATOM 138 CA PRO A 9 5.561 -1.911 -9.496 1.00 0.00 C ATOM 139 C PRO A 9 6.481 -1.014 -8.674 1.00 0.00 C ATOM 140 O PRO A 9 7.528 -0.579 -9.150 1.00 0.00 O ATOM 141 CB PRO A 9 5.489 -3.310 -8.882 1.00 0.00 C ATOM 142 CG PRO A 9 6.525 -4.096 -9.607 1.00 0.00 C ATOM 143 CD PRO A 9 6.556 -3.548 -11.007 1.00 0.00 C ATOM 0 HA PRO A 9 4.603 -1.391 -9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.690 -3.283 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.499 -3.748 -9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.498 -3.995 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.279 -5.158 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.560 -3.585 -11.430 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.907 -4.115 -11.675 1.00 0.00 H new ATOM 151 N VAL A 10 6.080 -0.743 -7.435 1.00 0.00 N ATOM 152 CA VAL A 10 6.868 0.101 -6.546 1.00 0.00 C ATOM 153 C VAL A 10 7.485 -0.717 -5.417 1.00 0.00 C ATOM 154 O VAL A 10 6.775 -1.275 -4.581 1.00 0.00 O ATOM 155 CB VAL A 10 6.013 1.230 -5.938 1.00 0.00 C ATOM 156 CG1 VAL A 10 6.880 2.188 -5.136 1.00 0.00 C ATOM 157 CG2 VAL A 10 5.255 1.974 -7.030 1.00 0.00 C ATOM 0 H VAL A 10 5.215 -1.096 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 10 7.662 0.541 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 10 5.286 0.783 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.257 2.977 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.372 1.645 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.634 2.629 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.657 2.767 -6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.965 2.408 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.600 1.279 -7.556 1.00 0.00 H new ATOM 167 N GLU A 11 8.813 -0.785 -5.400 1.00 0.00 N ATOM 168 CA GLU A 11 9.528 -1.537 -4.374 1.00 0.00 C ATOM 169 C GLU A 11 9.979 -0.619 -3.239 1.00 0.00 C ATOM 170 O GLU A 11 10.975 0.094 -3.369 1.00 0.00 O ATOM 171 CB GLU A 11 10.741 -2.243 -4.984 1.00 0.00 C ATOM 172 CG GLU A 11 11.668 -1.309 -5.746 1.00 0.00 C ATOM 173 CD GLU A 11 13.122 -1.484 -5.353 1.00 0.00 C ATOM 174 OE1 GLU A 11 13.589 -2.642 -5.305 1.00 0.00 O ATOM 175 OE2 GLU A 11 13.794 -0.464 -5.096 1.00 0.00 O ATOM 0 H GLU A 11 9.416 -0.329 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 11 8.847 -2.283 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.304 -2.732 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.394 -3.027 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.560 -1.489 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.368 -0.277 -5.564 1.00 0.00 H new ATOM 182 N PRO A 12 9.254 -0.622 -2.106 1.00 0.00 N ATOM 183 CA PRO A 12 9.595 0.218 -0.952 1.00 0.00 C ATOM 184 C PRO A 12 10.882 -0.233 -0.271 1.00 0.00 C ATOM 185 O PRO A 12 11.512 -1.204 -0.691 1.00 0.00 O ATOM 186 CB PRO A 12 8.401 0.035 -0.012 1.00 0.00 C ATOM 187 CG PRO A 12 7.827 -1.288 -0.380 1.00 0.00 C ATOM 188 CD PRO A 12 8.050 -1.439 -1.859 1.00 0.00 C ATOM 0 HA PRO A 12 9.771 1.254 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.713 0.054 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.670 0.833 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.314 -2.092 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.765 -1.333 -0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.207 -2.481 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.196 -1.080 -2.433 1.00 0.00 H new ATOM 196 N VAL A 13 11.269 0.480 0.782 1.00 0.00 N ATOM 197 CA VAL A 13 12.482 0.153 1.522 1.00 0.00 C ATOM 198 C VAL A 13 12.418 -1.262 2.087 1.00 0.00 C ATOM 199 O VAL A 13 11.783 -1.503 3.114 1.00 0.00 O ATOM 200 CB VAL A 13 12.717 1.144 2.676 1.00 0.00 C ATOM 201 CG1 VAL A 13 13.060 2.524 2.135 1.00 0.00 C ATOM 202 CG2 VAL A 13 11.500 1.205 3.585 1.00 0.00 C ATOM 0 H VAL A 13 10.760 1.288 1.142 1.00 0.00 H new ATOM 0 HA VAL A 13 13.311 0.222 0.818 1.00 0.00 H new ATOM 0 HB VAL A 13 13.563 0.791 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.223 3.210 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.966 2.463 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.238 2.888 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.686 1.911 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.633 1.531 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.308 0.217 4.002 1.00 0.00 H new ATOM 212 N GLY A 14 13.080 -2.195 1.409 1.00 0.00 N ATOM 213 CA GLY A 14 13.085 -3.576 1.858 1.00 0.00 C ATOM 214 C GLY A 14 13.865 -3.768 3.144 1.00 0.00 C ATOM 215 O GLY A 14 13.654 -4.745 3.863 1.00 0.00 O ATOM 0 H GLY A 14 13.613 -2.020 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.058 -3.909 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.515 -4.206 1.079 1.00 0.00 H new ATOM 219 N GLU A 15 14.769 -2.838 3.437 1.00 0.00 N ATOM 220 CA GLU A 15 15.583 -2.914 4.645 1.00 0.00 C ATOM 221 C GLU A 15 14.707 -3.013 5.891 1.00 0.00 C ATOM 222 O GLU A 15 15.021 -3.749 6.826 1.00 0.00 O ATOM 223 CB GLU A 15 16.496 -1.692 4.746 1.00 0.00 C ATOM 224 CG GLU A 15 17.240 -1.379 3.457 1.00 0.00 C ATOM 225 CD GLU A 15 18.745 -1.343 3.645 1.00 0.00 C ATOM 226 OE1 GLU A 15 19.348 -2.425 3.803 1.00 0.00 O ATOM 227 OE2 GLU A 15 19.318 -0.234 3.632 1.00 0.00 O ATOM 0 H GLU A 15 14.956 -2.022 2.854 1.00 0.00 H new ATOM 0 HA GLU A 15 16.195 -3.814 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.899 -0.826 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.221 -1.855 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.989 -2.128 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.903 -0.417 3.072 1.00 0.00 H new ATOM 234 N LYS A 16 13.606 -2.269 5.894 1.00 0.00 N ATOM 235 CA LYS A 16 12.683 -2.273 7.024 1.00 0.00 C ATOM 236 C LYS A 16 11.276 -1.891 6.578 1.00 0.00 C ATOM 237 O LYS A 16 11.041 -0.769 6.130 1.00 0.00 O ATOM 238 CB LYS A 16 13.165 -1.308 8.108 1.00 0.00 C ATOM 239 CG LYS A 16 14.343 -1.836 8.912 1.00 0.00 C ATOM 240 CD LYS A 16 14.774 -0.847 9.987 1.00 0.00 C ATOM 241 CE LYS A 16 14.896 -1.519 11.346 1.00 0.00 C ATOM 242 NZ LYS A 16 13.564 -1.806 11.945 1.00 0.00 N ATOM 0 H LYS A 16 13.331 -1.656 5.127 1.00 0.00 H new ATOM 0 HA LYS A 16 12.655 -3.283 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.447 -0.364 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.339 -1.095 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.072 -2.784 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.180 -2.036 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.731 -0.403 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.051 -0.034 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.455 -2.449 11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.466 -0.878 12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.691 -2.264 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.040 -0.916 12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.030 -2.439 11.316 1.00 0.00 H new ATOM 256 N SER A 17 10.343 -2.830 6.703 1.00 0.00 N ATOM 257 CA SER A 17 8.961 -2.588 6.310 1.00 0.00 C ATOM 258 C SER A 17 8.002 -3.468 7.106 1.00 0.00 C ATOM 259 O SER A 17 7.989 -4.689 6.946 1.00 0.00 O ATOM 260 CB SER A 17 8.782 -2.845 4.812 1.00 0.00 C ATOM 261 OG SER A 17 9.712 -3.806 4.345 1.00 0.00 O ATOM 0 H SER A 17 10.520 -3.764 7.073 1.00 0.00 H new ATOM 0 HA SER A 17 8.729 -1.545 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.767 -3.192 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.910 -1.913 4.262 1.00 0.00 H new ATOM 0 HG SER A 17 9.576 -3.954 3.386 1.00 0.00 H new ATOM 267 N ASN A 18 7.201 -2.840 7.958 1.00 0.00 N ATOM 268 CA ASN A 18 6.235 -3.561 8.776 1.00 0.00 C ATOM 269 C ASN A 18 5.019 -3.957 7.947 1.00 0.00 C ATOM 270 O ASN A 18 4.904 -3.582 6.781 1.00 0.00 O ATOM 271 CB ASN A 18 5.803 -2.703 9.968 1.00 0.00 C ATOM 272 CG ASN A 18 6.473 -3.130 11.259 1.00 0.00 C ATOM 273 OD1 ASN A 18 7.063 -2.311 11.966 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.388 -4.416 11.574 1.00 0.00 N ATOM 0 H ASN A 18 7.202 -1.830 8.100 1.00 0.00 H new ATOM 0 HA ASN A 18 6.710 -4.468 9.149 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.041 -1.659 9.766 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.721 -2.766 10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.821 -4.761 12.431 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.890 -5.060 10.960 1.00 0.00 H new ATOM 281 N TYR A 19 4.113 -4.721 8.551 1.00 0.00 N ATOM 282 CA TYR A 19 2.908 -5.163 7.854 1.00 0.00 C ATOM 283 C TYR A 19 1.667 -4.956 8.717 1.00 0.00 C ATOM 284 O TYR A 19 1.537 -5.547 9.790 1.00 0.00 O ATOM 285 CB TYR A 19 3.017 -6.638 7.445 1.00 0.00 C ATOM 286 CG TYR A 19 4.413 -7.214 7.560 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.875 -7.731 8.763 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.267 -7.241 6.464 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.148 -8.257 8.873 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.542 -7.767 6.565 1.00 0.00 C ATOM 291 CZ TYR A 19 6.977 -8.274 7.771 1.00 0.00 C ATOM 292 OH TYR A 19 8.245 -8.797 7.876 1.00 0.00 O ATOM 0 H TYR A 19 4.189 -5.045 9.515 1.00 0.00 H new ATOM 0 HA TYR A 19 2.812 -4.556 6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.341 -7.226 8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.676 -6.744 6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.228 -7.722 9.628 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.929 -6.845 5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.492 -8.653 9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.193 -7.781 5.704 1.00 0.00 H new ATOM 0 HH TYR A 19 8.698 -8.734 7.009 1.00 0.00 H new ATOM 302 N ILE A 20 0.759 -4.115 8.236 1.00 0.00 N ATOM 303 CA ILE A 20 -0.476 -3.824 8.947 1.00 0.00 C ATOM 304 C ILE A 20 -1.468 -4.977 8.817 1.00 0.00 C ATOM 305 O ILE A 20 -2.029 -5.208 7.746 1.00 0.00 O ATOM 306 CB ILE A 20 -1.128 -2.530 8.409 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.258 -1.318 8.753 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.536 -2.356 8.968 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.620 -0.862 7.607 1.00 0.00 C ATOM 0 H ILE A 20 0.858 -3.620 7.350 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.222 -3.689 9.998 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.205 -2.609 7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.902 -0.493 9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.372 -1.563 9.608 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.973 -1.438 8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.152 -3.206 8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.491 -2.299 10.056 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.209 -0.000 7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.289 -1.672 7.316 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.005 -0.585 6.758 1.00 0.00 H new ATOM 321 N CYS A 21 -1.687 -5.691 9.917 1.00 0.00 N ATOM 322 CA CYS A 21 -2.618 -6.812 9.927 1.00 0.00 C ATOM 323 C CYS A 21 -4.057 -6.312 9.997 1.00 0.00 C ATOM 324 O CYS A 21 -4.375 -5.422 10.784 1.00 0.00 O ATOM 325 CB CYS A 21 -2.327 -7.734 11.113 1.00 0.00 C ATOM 326 SG CYS A 21 -2.832 -9.450 10.854 1.00 0.00 S ATOM 0 H CYS A 21 -1.232 -5.512 10.812 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.488 -7.374 9.002 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.258 -7.709 11.325 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.836 -7.346 11.995 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.971 -10.044 10.082 1.00 0.00 H new ATOM 332 N HIS A 22 -4.922 -6.884 9.166 1.00 0.00 N ATOM 333 CA HIS A 22 -6.323 -6.486 9.137 1.00 0.00 C ATOM 334 C HIS A 22 -7.171 -7.501 8.374 1.00 0.00 C ATOM 335 O HIS A 22 -7.084 -7.600 7.152 1.00 0.00 O ATOM 336 CB HIS A 22 -6.468 -5.106 8.492 1.00 0.00 C ATOM 337 CG HIS A 22 -7.858 -4.558 8.554 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.602 -4.263 7.431 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.645 -4.249 9.613 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.782 -3.796 7.795 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.834 -3.778 9.114 1.00 0.00 N ATOM 0 H HIS A 22 -4.678 -7.622 8.506 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.679 -6.445 10.166 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.790 -4.410 8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.157 -5.167 7.449 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -8.289 -4.387 6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.385 -4.354 10.656 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.571 -3.482 7.127 1.00 0.00 H new ATOM 350 N LYS A 23 -8.001 -8.241 9.110 1.00 0.00 N ATOM 351 CA LYS A 23 -8.895 -9.253 8.534 1.00 0.00 C ATOM 352 C LYS A 23 -8.337 -9.875 7.254 1.00 0.00 C ATOM 353 O LYS A 23 -8.717 -9.491 6.150 1.00 0.00 O ATOM 354 CB LYS A 23 -10.266 -8.641 8.251 1.00 0.00 C ATOM 355 CG LYS A 23 -10.206 -7.203 7.763 1.00 0.00 C ATOM 356 CD LYS A 23 -11.361 -6.878 6.835 1.00 0.00 C ATOM 357 CE LYS A 23 -12.705 -7.122 7.503 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.690 -6.056 7.173 1.00 0.00 N ATOM 0 H LYS A 23 -8.074 -8.157 10.124 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.985 -10.051 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.777 -9.248 7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.867 -8.682 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.225 -6.527 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.263 -7.034 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.294 -5.836 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.286 -7.487 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.097 -8.089 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.570 -7.170 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.593 -6.259 7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.328 -5.136 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.838 -6.027 6.144 1.00 0.00 H new ATOM 372 N GLY A 24 -7.447 -10.848 7.411 1.00 0.00 N ATOM 373 CA GLY A 24 -6.868 -11.520 6.258 1.00 0.00 C ATOM 374 C GLY A 24 -6.077 -10.596 5.354 1.00 0.00 C ATOM 375 O GLY A 24 -5.725 -10.978 4.238 1.00 0.00 O ATOM 0 H GLY A 24 -7.115 -11.185 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.216 -12.322 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.666 -11.985 5.680 1.00 0.00 H new ATOM 379 N HIS A 25 -5.788 -9.385 5.820 1.00 0.00 N ATOM 380 CA HIS A 25 -5.031 -8.434 5.018 1.00 0.00 C ATOM 381 C HIS A 25 -3.791 -7.936 5.751 1.00 0.00 C ATOM 382 O HIS A 25 -3.842 -7.605 6.934 1.00 0.00 O ATOM 383 CB HIS A 25 -5.916 -7.251 4.602 1.00 0.00 C ATOM 384 CG HIS A 25 -6.045 -7.135 3.120 1.00 0.00 C ATOM 385 ND1 HIS A 25 -7.017 -6.406 2.464 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.305 -7.718 2.158 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.833 -6.580 1.144 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.802 -7.371 0.920 1.00 0.00 N ATOM 0 H HIS A 25 -6.064 -9.042 6.740 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.698 -8.958 4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.906 -7.368 5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.496 -6.328 5.001 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.743 -5.839 2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.453 -8.359 2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.445 -6.134 0.374 1.00 0.00 H new ATOM 396 N GLU A 26 -2.673 -7.888 5.029 1.00 0.00 N ATOM 397 CA GLU A 26 -1.412 -7.432 5.595 1.00 0.00 C ATOM 398 C GLU A 26 -0.830 -6.295 4.762 1.00 0.00 C ATOM 399 O GLU A 26 0.109 -6.493 3.988 1.00 0.00 O ATOM 400 CB GLU A 26 -0.414 -8.591 5.672 1.00 0.00 C ATOM 401 CG GLU A 26 0.451 -8.567 6.922 1.00 0.00 C ATOM 402 CD GLU A 26 0.337 -9.843 7.734 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.549 -10.931 7.162 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.037 -9.752 8.943 1.00 0.00 O ATOM 0 H GLU A 26 -2.618 -8.161 4.048 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.602 -7.062 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.961 -9.533 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.231 -8.563 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.492 -8.414 6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.163 -7.719 7.543 1.00 0.00 H new ATOM 411 N PHE A 27 -1.395 -5.103 4.922 1.00 0.00 N ATOM 412 CA PHE A 27 -0.933 -3.932 4.185 1.00 0.00 C ATOM 413 C PHE A 27 0.480 -3.555 4.594 1.00 0.00 C ATOM 414 O PHE A 27 0.962 -3.962 5.649 1.00 0.00 O ATOM 415 CB PHE A 27 -1.871 -2.743 4.395 1.00 0.00 C ATOM 416 CG PHE A 27 -3.322 -3.055 4.162 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.109 -3.574 5.175 1.00 0.00 C ATOM 418 CD2 PHE A 27 -3.900 -2.818 2.924 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.445 -3.853 4.960 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.234 -3.096 2.703 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.009 -3.613 3.722 1.00 0.00 C ATOM 0 H PHE A 27 -2.174 -4.922 5.556 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.933 -4.191 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.749 -2.374 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.572 -1.936 3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.674 -3.763 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.300 -2.411 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.048 -4.258 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.671 -2.909 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.053 -3.829 3.552 1.00 0.00 H new ATOM 431 N ILE A 28 1.147 -2.790 3.744 1.00 0.00 N ATOM 432 CA ILE A 28 2.514 -2.368 4.007 1.00 0.00 C ATOM 433 C ILE A 28 2.658 -0.856 3.874 1.00 0.00 C ATOM 434 O ILE A 28 2.202 -0.266 2.897 1.00 0.00 O ATOM 435 CB ILE A 28 3.496 -3.054 3.042 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.124 -4.533 2.870 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.926 -2.904 3.542 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.541 -5.408 4.035 1.00 0.00 C ATOM 0 H ILE A 28 0.762 -2.448 2.863 1.00 0.00 H new ATOM 0 HA ILE A 28 2.750 -2.660 5.030 1.00 0.00 H new ATOM 0 HB ILE A 28 3.428 -2.570 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.045 -4.613 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.588 -4.911 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.608 -3.395 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.178 -1.846 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.017 -3.364 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.244 -6.439 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.623 -5.359 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.056 -5.057 4.946 1.00 0.00 H new ATOM 450 N PRO A 29 3.300 -0.209 4.860 1.00 0.00 N ATOM 451 CA PRO A 29 3.498 1.240 4.850 1.00 0.00 C ATOM 452 C PRO A 29 4.482 1.686 3.778 1.00 0.00 C ATOM 453 O PRO A 29 5.664 1.349 3.825 1.00 0.00 O ATOM 454 CB PRO A 29 4.058 1.536 6.240 1.00 0.00 C ATOM 455 CG PRO A 29 4.694 0.264 6.676 1.00 0.00 C ATOM 456 CD PRO A 29 3.880 -0.839 6.059 1.00 0.00 C ATOM 0 HA PRO A 29 2.573 1.771 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.783 2.350 6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.268 1.839 6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.732 0.214 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.700 0.183 7.763 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.499 -1.699 5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.106 -1.196 6.739 1.00 0.00 H new ATOM 464 N THR A 30 3.985 2.451 2.815 1.00 0.00 N ATOM 465 CA THR A 30 4.820 2.948 1.734 1.00 0.00 C ATOM 466 C THR A 30 4.233 4.223 1.137 1.00 0.00 C ATOM 467 O THR A 30 3.071 4.552 1.372 1.00 0.00 O ATOM 468 CB THR A 30 4.972 1.882 0.649 1.00 0.00 C ATOM 469 OG1 THR A 30 5.858 2.322 -0.365 1.00 0.00 O ATOM 470 CG2 THR A 30 3.662 1.514 -0.015 1.00 0.00 C ATOM 0 H THR A 30 3.008 2.740 2.762 1.00 0.00 H new ATOM 0 HA THR A 30 5.803 3.181 2.143 1.00 0.00 H new ATOM 0 HB THR A 30 5.362 1.002 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.822 1.701 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.840 0.753 -0.775 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.972 1.125 0.733 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.230 2.399 -0.482 1.00 0.00 H new ATOM 478 N LEU A 31 5.042 4.936 0.360 1.00 0.00 N ATOM 479 CA LEU A 31 4.603 6.174 -0.272 1.00 0.00 C ATOM 480 C LEU A 31 4.495 6.002 -1.784 1.00 0.00 C ATOM 481 O LEU A 31 5.109 5.104 -2.361 1.00 0.00 O ATOM 482 CB LEU A 31 5.572 7.309 0.057 1.00 0.00 C ATOM 483 CG LEU A 31 5.662 7.669 1.542 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.611 8.841 1.753 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.281 7.988 2.097 1.00 0.00 C ATOM 0 H LEU A 31 6.007 4.677 0.153 1.00 0.00 H new ATOM 0 HA LEU A 31 3.617 6.424 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.566 7.033 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.271 8.197 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 31 6.058 6.809 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.661 9.082 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.605 8.574 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.247 9.708 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.363 8.242 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.856 8.832 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.633 7.119 1.982 1.00 0.00 H new ATOM 497 N TYR A 32 3.710 6.865 -2.419 1.00 0.00 N ATOM 498 CA TYR A 32 3.522 6.805 -3.864 1.00 0.00 C ATOM 499 C TYR A 32 3.629 8.193 -4.486 1.00 0.00 C ATOM 500 O TYR A 32 2.782 9.055 -4.256 1.00 0.00 O ATOM 501 CB TYR A 32 2.163 6.188 -4.196 1.00 0.00 C ATOM 502 CG TYR A 32 2.080 4.708 -3.900 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.720 3.780 -4.715 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.360 4.236 -2.810 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.645 2.426 -4.449 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.282 2.884 -2.537 1.00 0.00 C ATOM 507 CZ TYR A 32 1.925 1.983 -3.359 1.00 0.00 C ATOM 508 OH TYR A 32 1.849 0.636 -3.090 1.00 0.00 O ATOM 0 H TYR A 32 3.194 7.614 -1.957 1.00 0.00 H new ATOM 0 HA TYR A 32 4.310 6.179 -4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.390 6.707 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.948 6.351 -5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.285 4.123 -5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.852 4.938 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.148 1.718 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.720 2.534 -1.684 1.00 0.00 H new ATOM 0 HH TYR A 32 2.663 0.193 -3.407 1.00 0.00 H new ATOM 518 N HIS A 33 4.674 8.399 -5.282 1.00 0.00 N ATOM 519 CA HIS A 33 4.890 9.681 -5.944 1.00 0.00 C ATOM 520 C HIS A 33 4.091 9.770 -7.241 1.00 0.00 C ATOM 521 O HIS A 33 3.916 10.855 -7.797 1.00 0.00 O ATOM 522 CB HIS A 33 6.379 9.883 -6.234 1.00 0.00 C ATOM 523 CG HIS A 33 7.222 9.977 -5.001 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.675 8.872 -4.311 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.699 11.055 -4.333 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.391 9.265 -3.272 1.00 0.00 C ATOM 527 NE2 HIS A 33 8.421 10.585 -3.266 1.00 0.00 N ATOM 0 H HIS A 33 5.384 7.695 -5.484 1.00 0.00 H new ATOM 0 HA HIS A 33 4.545 10.469 -5.274 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.737 9.055 -6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.506 10.792 -6.821 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.540 12.091 -4.592 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.869 8.618 -2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.904 11.163 -2.578 1.00 0.00 H new ATOM 536 N PHE A 34 3.607 8.627 -7.722 1.00 0.00 N ATOM 537 CA PHE A 34 2.828 8.585 -8.954 1.00 0.00 C ATOM 538 C PHE A 34 1.352 8.338 -8.652 1.00 0.00 C ATOM 539 O PHE A 34 0.983 8.044 -7.515 1.00 0.00 O ATOM 540 CB PHE A 34 3.358 7.492 -9.887 1.00 0.00 C ATOM 541 CG PHE A 34 4.856 7.371 -9.891 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.635 8.258 -10.616 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.484 6.367 -9.170 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.012 8.148 -10.621 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.860 6.253 -9.171 1.00 0.00 C ATOM 546 CZ PHE A 34 7.625 7.143 -9.898 1.00 0.00 C ATOM 0 H PHE A 34 3.741 7.719 -7.277 1.00 0.00 H new ATOM 0 HA PHE A 34 2.927 9.551 -9.449 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.926 6.535 -9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.017 7.697 -10.902 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.160 9.045 -11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.890 5.666 -8.601 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.608 8.847 -11.189 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.338 5.468 -8.603 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.701 7.054 -9.902 1.00 0.00 H new ATOM 556 N PRO A 35 0.486 8.459 -9.672 1.00 0.00 N ATOM 557 CA PRO A 35 -0.958 8.251 -9.514 1.00 0.00 C ATOM 558 C PRO A 35 -1.303 6.825 -9.096 1.00 0.00 C ATOM 559 O PRO A 35 -1.275 5.904 -9.913 1.00 0.00 O ATOM 560 CB PRO A 35 -1.528 8.549 -10.908 1.00 0.00 C ATOM 561 CG PRO A 35 -0.460 9.315 -11.612 1.00 0.00 C ATOM 562 CD PRO A 35 0.839 8.812 -11.055 1.00 0.00 C ATOM 0 HA PRO A 35 -1.368 8.886 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.768 7.629 -11.440 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.449 9.128 -10.841 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.511 9.157 -12.689 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.570 10.386 -11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.210 7.951 -11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.617 9.574 -11.092 1.00 0.00 H new ATOM 570 N THR A 36 -1.641 6.652 -7.821 1.00 0.00 N ATOM 571 CA THR A 36 -2.006 5.343 -7.297 1.00 0.00 C ATOM 572 C THR A 36 -3.465 5.348 -6.850 1.00 0.00 C ATOM 573 O THR A 36 -3.893 6.234 -6.110 1.00 0.00 O ATOM 574 CB THR A 36 -1.084 4.956 -6.133 1.00 0.00 C ATOM 575 OG1 THR A 36 0.190 4.568 -6.614 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.615 3.818 -5.286 1.00 0.00 C ATOM 0 H THR A 36 -1.669 7.404 -7.132 1.00 0.00 H new ATOM 0 HA THR A 36 -1.886 4.601 -8.087 1.00 0.00 H new ATOM 0 HB THR A 36 -1.024 5.849 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.817 4.501 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.909 3.601 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.576 4.101 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.742 2.931 -5.907 1.00 0.00 H new ATOM 584 N ASN A 37 -4.227 4.366 -7.314 1.00 0.00 N ATOM 585 CA ASN A 37 -5.641 4.271 -6.970 1.00 0.00 C ATOM 586 C ASN A 37 -5.859 3.391 -5.743 1.00 0.00 C ATOM 587 O ASN A 37 -5.600 2.189 -5.776 1.00 0.00 O ATOM 588 CB ASN A 37 -6.438 3.719 -8.153 1.00 0.00 C ATOM 589 CG ASN A 37 -6.538 4.709 -9.297 1.00 0.00 C ATOM 590 OD1 ASN A 37 -7.118 5.786 -9.151 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.970 4.350 -10.442 1.00 0.00 N ATOM 0 H ASN A 37 -3.891 3.625 -7.929 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.993 5.275 -6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.966 2.803 -8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.441 3.452 -7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.003 4.976 -11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.500 3.448 -10.517 1.00 0.00 H new ATOM 598 N CYS A 38 -6.352 3.998 -4.668 1.00 0.00 N ATOM 599 CA CYS A 38 -6.625 3.272 -3.433 1.00 0.00 C ATOM 600 C CYS A 38 -7.619 2.139 -3.703 1.00 0.00 C ATOM 601 O CYS A 38 -8.287 2.125 -4.736 1.00 0.00 O ATOM 602 CB CYS A 38 -7.156 4.245 -2.367 1.00 0.00 C ATOM 603 SG CYS A 38 -8.729 3.761 -1.571 1.00 0.00 S ATOM 0 H CYS A 38 -6.571 4.993 -4.628 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.704 2.826 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.397 4.357 -1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.289 5.224 -2.828 1.00 0.00 H new ATOM 608 N GLU A 39 -7.708 1.194 -2.774 1.00 0.00 N ATOM 609 CA GLU A 39 -8.616 0.061 -2.928 1.00 0.00 C ATOM 610 C GLU A 39 -9.923 0.289 -2.171 1.00 0.00 C ATOM 611 O GLU A 39 -10.988 -0.144 -2.609 1.00 0.00 O ATOM 612 CB GLU A 39 -7.946 -1.224 -2.436 1.00 0.00 C ATOM 613 CG GLU A 39 -8.032 -2.373 -3.429 1.00 0.00 C ATOM 614 CD GLU A 39 -9.457 -2.671 -3.853 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.283 -2.992 -2.973 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.746 -2.582 -5.065 1.00 0.00 O ATOM 0 H GLU A 39 -7.166 1.188 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.850 -0.037 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.897 -1.018 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.410 -1.530 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.437 -2.132 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.595 -3.267 -2.984 1.00 0.00 H new ATOM 623 N ALA A 40 -9.834 0.964 -1.029 1.00 0.00 N ATOM 624 CA ALA A 40 -11.007 1.240 -0.210 1.00 0.00 C ATOM 625 C ALA A 40 -12.010 2.129 -0.948 1.00 0.00 C ATOM 626 O ALA A 40 -12.934 1.630 -1.591 1.00 0.00 O ATOM 627 CB ALA A 40 -10.589 1.876 1.109 1.00 0.00 C ATOM 0 H ALA A 40 -8.960 1.330 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.504 0.292 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.474 2.078 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.930 1.196 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.064 2.811 0.912 1.00 0.00 H new ATOM 633 N CYS A 41 -11.829 3.444 -0.848 1.00 0.00 N ATOM 634 CA CYS A 41 -12.725 4.390 -1.504 1.00 0.00 C ATOM 635 C CYS A 41 -12.382 4.539 -2.984 1.00 0.00 C ATOM 636 O CYS A 41 -11.585 3.775 -3.528 1.00 0.00 O ATOM 637 CB CYS A 41 -12.668 5.754 -0.806 1.00 0.00 C ATOM 638 SG CYS A 41 -11.143 6.706 -1.122 1.00 0.00 S ATOM 0 H CYS A 41 -11.071 3.877 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.739 3.998 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.524 6.348 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.770 5.602 0.269 1.00 0.00 H new ATOM 643 N MET A 42 -12.991 5.529 -3.627 1.00 0.00 N ATOM 644 CA MET A 42 -12.756 5.782 -5.044 1.00 0.00 C ATOM 645 C MET A 42 -11.757 6.920 -5.241 1.00 0.00 C ATOM 646 O MET A 42 -11.119 7.023 -6.289 1.00 0.00 O ATOM 647 CB MET A 42 -14.072 6.117 -5.749 1.00 0.00 C ATOM 648 CG MET A 42 -15.096 4.995 -5.688 1.00 0.00 C ATOM 649 SD MET A 42 -14.893 3.795 -7.019 1.00 0.00 S ATOM 650 CE MET A 42 -14.897 2.260 -6.094 1.00 0.00 C ATOM 0 H MET A 42 -13.652 6.170 -3.189 1.00 0.00 H new ATOM 0 HA MET A 42 -12.336 4.876 -5.481 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.499 7.013 -5.298 1.00 0.00 H new ATOM 0 HB3 MET A 42 -13.866 6.353 -6.793 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.013 4.485 -4.728 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.098 5.420 -5.737 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.780 1.421 -6.780 1.00 0.00 H new ATOM 0 HE2 MET A 42 -14.073 2.263 -5.380 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.841 2.161 -5.558 1.00 0.00 H new ATOM 660 N LYS A 43 -11.626 7.776 -4.229 1.00 0.00 N ATOM 661 CA LYS A 43 -10.705 8.906 -4.296 1.00 0.00 C ATOM 662 C LYS A 43 -9.298 8.444 -4.673 1.00 0.00 C ATOM 663 O LYS A 43 -8.907 7.315 -4.377 1.00 0.00 O ATOM 664 CB LYS A 43 -10.675 9.646 -2.955 1.00 0.00 C ATOM 665 CG LYS A 43 -11.176 11.079 -3.041 1.00 0.00 C ATOM 666 CD LYS A 43 -10.365 12.008 -2.152 1.00 0.00 C ATOM 667 CE LYS A 43 -10.476 11.615 -0.687 1.00 0.00 C ATOM 668 NZ LYS A 43 -9.188 11.805 0.037 1.00 0.00 N ATOM 0 H LYS A 43 -12.146 7.708 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.060 9.587 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.283 9.100 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.654 9.649 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.122 11.423 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.225 11.117 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.319 11.985 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.712 13.033 -2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.253 12.211 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.784 10.572 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.305 11.526 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.452 11.217 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.907 12.805 -0.012 1.00 0.00 H new ATOM 682 N PRO A 44 -8.518 9.315 -5.337 1.00 0.00 N ATOM 683 CA PRO A 44 -7.153 8.991 -5.757 1.00 0.00 C ATOM 684 C PRO A 44 -6.183 8.907 -4.583 1.00 0.00 C ATOM 685 O PRO A 44 -6.453 9.431 -3.503 1.00 0.00 O ATOM 686 CB PRO A 44 -6.777 10.156 -6.674 1.00 0.00 C ATOM 687 CG PRO A 44 -7.620 11.291 -6.208 1.00 0.00 C ATOM 688 CD PRO A 44 -8.910 10.681 -5.731 1.00 0.00 C ATOM 0 HA PRO A 44 -7.100 8.014 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.716 10.393 -6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.976 9.918 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.127 11.839 -5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.799 12.001 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.331 11.236 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.665 10.671 -6.517 1.00 0.00 H new ATOM 696 N LEU A 45 -5.051 8.247 -4.805 1.00 0.00 N ATOM 697 CA LEU A 45 -4.036 8.096 -3.770 1.00 0.00 C ATOM 698 C LEU A 45 -2.644 8.391 -4.325 1.00 0.00 C ATOM 699 O LEU A 45 -2.070 7.576 -5.045 1.00 0.00 O ATOM 700 CB LEU A 45 -4.075 6.679 -3.188 1.00 0.00 C ATOM 701 CG LEU A 45 -3.299 6.498 -1.882 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.085 5.645 -0.901 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.934 5.881 -2.149 1.00 0.00 C ATOM 0 H LEU A 45 -4.814 7.808 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.252 8.813 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.115 6.400 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.677 5.986 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.151 7.482 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.514 5.530 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.037 6.128 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.269 4.664 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.399 5.761 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.061 4.907 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.363 6.533 -2.810 1.00 0.00 H new ATOM 715 N TRP A 46 -2.107 9.563 -3.989 1.00 0.00 N ATOM 716 CA TRP A 46 -0.780 9.965 -4.454 1.00 0.00 C ATOM 717 C TRP A 46 -0.458 11.396 -4.032 1.00 0.00 C ATOM 718 O TRP A 46 -1.255 12.052 -3.362 1.00 0.00 O ATOM 719 CB TRP A 46 -0.676 9.848 -5.977 1.00 0.00 C ATOM 720 CG TRP A 46 -1.723 10.635 -6.707 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.004 10.249 -6.973 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.575 11.946 -7.265 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.662 11.237 -7.662 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.807 12.291 -7.854 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.522 12.863 -7.324 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.012 13.511 -8.493 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.726 14.074 -7.958 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.963 14.389 -8.534 1.00 0.00 C ATOM 0 H TRP A 46 -2.571 10.251 -3.396 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.057 9.291 -3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.310 10.188 -6.294 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.758 8.799 -6.260 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.438 9.303 -6.683 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.630 11.194 -7.980 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.435 12.629 -6.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.964 13.756 -8.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.082 14.789 -8.010 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.092 15.345 -9.021 1.00 0.00 H new ATOM 739 N HIS A 47 0.717 11.872 -4.435 1.00 0.00 N ATOM 740 CA HIS A 47 1.154 13.225 -4.109 1.00 0.00 C ATOM 741 C HIS A 47 2.525 13.507 -4.716 1.00 0.00 C ATOM 742 O HIS A 47 3.348 12.602 -4.864 1.00 0.00 O ATOM 743 CB HIS A 47 1.200 13.420 -2.593 1.00 0.00 C ATOM 744 CG HIS A 47 0.406 14.597 -2.118 1.00 0.00 C ATOM 745 ND1 HIS A 47 0.975 15.812 -1.800 1.00 0.00 N ATOM 746 CD2 HIS A 47 -0.925 14.741 -1.909 1.00 0.00 C ATOM 747 CE1 HIS A 47 0.030 16.652 -1.415 1.00 0.00 C ATOM 748 NE2 HIS A 47 -1.131 16.028 -1.473 1.00 0.00 N ATOM 0 H HIS A 47 1.385 11.338 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 47 0.436 13.927 -4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.825 12.519 -2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.237 13.542 -2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.682 13.986 -2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.182 17.675 -1.105 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.035 16.435 -1.233 1.00 0.00 H new ATOM 757 N MET A 48 2.766 14.765 -5.070 1.00 0.00 N ATOM 758 CA MET A 48 4.037 15.161 -5.666 1.00 0.00 C ATOM 759 C MET A 48 4.983 15.732 -4.614 1.00 0.00 C ATOM 760 O MET A 48 6.155 15.360 -4.552 1.00 0.00 O ATOM 761 CB MET A 48 3.805 16.191 -6.772 1.00 0.00 C ATOM 762 CG MET A 48 2.733 15.783 -7.769 1.00 0.00 C ATOM 763 SD MET A 48 1.800 17.191 -8.402 1.00 0.00 S ATOM 764 CE MET A 48 0.646 17.464 -7.061 1.00 0.00 C ATOM 0 H MET A 48 2.098 15.527 -4.955 1.00 0.00 H new ATOM 0 HA MET A 48 4.499 14.272 -6.095 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.524 17.142 -6.318 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.741 16.356 -7.305 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.199 15.257 -8.602 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.047 15.082 -7.293 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.374 18.519 -7.024 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.249 16.864 -7.223 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.110 17.176 -6.118 1.00 0.00 H new ATOM 774 N PHE A 49 4.468 16.642 -3.794 1.00 0.00 N ATOM 775 CA PHE A 49 5.269 17.268 -2.748 1.00 0.00 C ATOM 776 C PHE A 49 5.479 16.320 -1.571 1.00 0.00 C ATOM 777 O PHE A 49 6.558 15.755 -1.400 1.00 0.00 O ATOM 778 CB PHE A 49 4.601 18.557 -2.269 1.00 0.00 C ATOM 779 CG PHE A 49 4.605 19.653 -3.296 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.679 20.522 -3.397 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.534 19.813 -4.160 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.685 21.529 -4.343 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.535 20.819 -5.108 1.00 0.00 C ATOM 784 CZ PHE A 49 4.611 21.679 -5.199 1.00 0.00 C ATOM 0 H PHE A 49 3.500 16.962 -3.833 1.00 0.00 H new ATOM 0 HA PHE A 49 6.245 17.506 -3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.571 18.339 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.111 18.909 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.521 20.411 -2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.689 19.144 -4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.529 22.199 -4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.695 20.932 -5.777 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.613 22.467 -5.937 1.00 0.00 H new ATOM 794 N LYS A 50 4.440 16.153 -0.759 1.00 0.00 N ATOM 795 CA LYS A 50 4.513 15.278 0.405 1.00 0.00 C ATOM 796 C LYS A 50 3.565 14.088 0.257 1.00 0.00 C ATOM 797 O LYS A 50 2.377 14.191 0.564 1.00 0.00 O ATOM 798 CB LYS A 50 4.170 16.060 1.675 1.00 0.00 C ATOM 799 CG LYS A 50 5.171 17.159 1.998 1.00 0.00 C ATOM 800 CD LYS A 50 6.492 16.585 2.480 1.00 0.00 C ATOM 801 CE LYS A 50 7.457 17.683 2.898 1.00 0.00 C ATOM 802 NZ LYS A 50 7.263 18.081 4.320 1.00 0.00 N ATOM 0 H LYS A 50 3.538 16.612 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 50 5.532 14.899 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.180 16.502 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.118 15.368 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.341 17.770 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.758 17.816 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.314 15.916 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.941 15.987 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.482 17.340 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.318 18.552 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.940 18.832 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.293 18.432 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.421 17.258 4.936 1.00 0.00 H new ATOM 816 N PRO A 51 4.079 12.935 -0.211 1.00 0.00 N ATOM 817 CA PRO A 51 3.268 11.727 -0.390 1.00 0.00 C ATOM 818 C PRO A 51 2.735 11.189 0.936 1.00 0.00 C ATOM 819 O PRO A 51 3.505 10.902 1.852 1.00 0.00 O ATOM 820 CB PRO A 51 4.239 10.725 -1.023 1.00 0.00 C ATOM 821 CG PRO A 51 5.595 11.220 -0.655 1.00 0.00 C ATOM 822 CD PRO A 51 5.485 12.717 -0.597 1.00 0.00 C ATOM 0 HA PRO A 51 2.384 11.919 -0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.070 9.717 -0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.114 10.683 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.912 10.814 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.337 10.911 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.174 13.144 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.715 13.176 -1.559 1.00 0.00 H new ATOM 830 N PRO A 52 1.403 11.042 1.056 1.00 0.00 N ATOM 831 CA PRO A 52 0.774 10.534 2.279 1.00 0.00 C ATOM 832 C PRO A 52 1.125 9.073 2.543 1.00 0.00 C ATOM 833 O PRO A 52 1.425 8.322 1.616 1.00 0.00 O ATOM 834 CB PRO A 52 -0.726 10.681 2.002 1.00 0.00 C ATOM 835 CG PRO A 52 -0.840 10.696 0.517 1.00 0.00 C ATOM 836 CD PRO A 52 0.410 11.357 0.014 1.00 0.00 C ATOM 0 HA PRO A 52 1.110 11.075 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.291 9.855 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.121 11.599 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.932 9.684 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.727 11.244 0.199 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.709 10.965 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.277 12.433 -0.103 1.00 0.00 H new ATOM 844 N PRO A 53 1.092 8.650 3.818 1.00 0.00 N ATOM 845 CA PRO A 53 1.410 7.269 4.197 1.00 0.00 C ATOM 846 C PRO A 53 0.389 6.274 3.656 1.00 0.00 C ATOM 847 O PRO A 53 -0.636 6.018 4.288 1.00 0.00 O ATOM 848 CB PRO A 53 1.374 7.297 5.727 1.00 0.00 C ATOM 849 CG PRO A 53 0.514 8.464 6.070 1.00 0.00 C ATOM 850 CD PRO A 53 0.743 9.479 4.985 1.00 0.00 C ATOM 0 HA PRO A 53 2.368 6.946 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.962 6.371 6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.375 7.408 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.536 8.174 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.778 8.870 7.046 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.148 10.079 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.546 10.170 5.243 1.00 0.00 H new ATOM 858 N ALA A 54 0.680 5.712 2.487 1.00 0.00 N ATOM 859 CA ALA A 54 -0.208 4.743 1.864 1.00 0.00 C ATOM 860 C ALA A 54 0.152 3.328 2.293 1.00 0.00 C ATOM 861 O ALA A 54 1.282 3.064 2.702 1.00 0.00 O ATOM 862 CB ALA A 54 -0.149 4.870 0.349 1.00 0.00 C ATOM 0 H ALA A 54 1.526 5.913 1.953 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.227 4.950 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.819 4.139 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.456 5.874 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.870 4.689 0.008 1.00 0.00 H new ATOM 868 N LEU A 55 -0.812 2.422 2.201 1.00 0.00 N ATOM 869 CA LEU A 55 -0.588 1.035 2.587 1.00 0.00 C ATOM 870 C LEU A 55 -0.842 0.094 1.414 1.00 0.00 C ATOM 871 O LEU A 55 -1.937 0.066 0.854 1.00 0.00 O ATOM 872 CB LEU A 55 -1.482 0.660 3.769 1.00 0.00 C ATOM 873 CG LEU A 55 -1.502 1.678 4.910 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.434 1.214 6.018 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.096 1.898 5.449 1.00 0.00 C ATOM 0 H LEU A 55 -1.754 2.621 1.864 1.00 0.00 H new ATOM 0 HA LEU A 55 0.455 0.932 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.501 0.523 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.152 -0.301 4.165 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.874 2.627 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.437 1.949 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.444 1.105 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.090 0.255 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.127 2.625 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.302 0.955 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.545 2.272 4.651 1.00 0.00 H new ATOM 887 N GLU A 56 0.181 -0.672 1.051 1.00 0.00 N ATOM 888 CA GLU A 56 0.078 -1.615 -0.058 1.00 0.00 C ATOM 889 C GLU A 56 0.034 -3.053 0.448 1.00 0.00 C ATOM 890 O GLU A 56 0.827 -3.443 1.304 1.00 0.00 O ATOM 891 CB GLU A 56 1.258 -1.436 -1.015 1.00 0.00 C ATOM 892 CG GLU A 56 1.017 -2.027 -2.395 1.00 0.00 C ATOM 893 CD GLU A 56 2.295 -2.515 -3.051 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.188 -1.679 -3.304 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.400 -3.731 -3.313 1.00 0.00 O ATOM 0 H GLU A 56 1.092 -0.659 1.509 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.851 -1.410 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.474 -0.373 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.142 -1.901 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.315 -2.857 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.550 -1.276 -3.032 1.00 0.00 H new ATOM 902 N CYS A 57 -0.892 -3.842 -0.088 1.00 0.00 N ATOM 903 CA CYS A 57 -1.028 -5.235 0.314 1.00 0.00 C ATOM 904 C CYS A 57 0.118 -6.072 -0.247 1.00 0.00 C ATOM 905 O CYS A 57 0.500 -5.920 -1.406 1.00 0.00 O ATOM 906 CB CYS A 57 -2.373 -5.795 -0.160 1.00 0.00 C ATOM 907 SG CYS A 57 -2.607 -7.568 0.186 1.00 0.00 S ATOM 0 H CYS A 57 -1.557 -3.540 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.990 -5.284 1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.176 -5.234 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.464 -5.631 -1.234 1.00 0.00 H new ATOM 912 N ARG A 58 0.659 -6.955 0.586 1.00 0.00 N ATOM 913 CA ARG A 58 1.760 -7.818 0.174 1.00 0.00 C ATOM 914 C ARG A 58 1.240 -9.180 -0.281 1.00 0.00 C ATOM 915 O ARG A 58 1.913 -10.198 -0.125 1.00 0.00 O ATOM 916 CB ARG A 58 2.754 -7.992 1.325 1.00 0.00 C ATOM 917 CG ARG A 58 2.158 -8.672 2.548 1.00 0.00 C ATOM 918 CD ARG A 58 3.198 -8.879 3.639 1.00 0.00 C ATOM 919 NE ARG A 58 3.280 -10.276 4.059 1.00 0.00 N ATOM 920 CZ ARG A 58 3.970 -11.209 3.406 1.00 0.00 C ATOM 921 NH1 ARG A 58 4.639 -10.902 2.303 1.00 0.00 N ATOM 922 NH2 ARG A 58 3.991 -12.455 3.862 1.00 0.00 N ATOM 0 H ARG A 58 0.353 -7.092 1.549 1.00 0.00 H new ATOM 0 HA ARG A 58 2.269 -7.346 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.605 -8.576 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.137 -7.013 1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.338 -8.068 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.736 -9.635 2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.173 -8.551 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.951 -8.256 4.499 1.00 0.00 H new ATOM 0 HE ARG A 58 2.779 -10.553 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.627 -9.945 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.165 -11.622 1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.479 -12.696 4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.519 -13.172 3.364 1.00 0.00 H new ATOM 936 N ARG A 59 0.035 -9.186 -0.846 1.00 0.00 N ATOM 937 CA ARG A 59 -0.585 -10.414 -1.327 1.00 0.00 C ATOM 938 C ARG A 59 -1.254 -10.189 -2.685 1.00 0.00 C ATOM 939 O ARG A 59 -0.730 -10.601 -3.720 1.00 0.00 O ATOM 940 CB ARG A 59 -1.612 -10.924 -0.312 1.00 0.00 C ATOM 941 CG ARG A 59 -1.037 -11.161 1.078 1.00 0.00 C ATOM 942 CD ARG A 59 -1.855 -10.461 2.153 1.00 0.00 C ATOM 943 NE ARG A 59 -2.610 -11.406 2.972 1.00 0.00 N ATOM 944 CZ ARG A 59 -2.092 -12.079 3.998 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.819 -11.916 4.335 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.852 -12.917 4.690 1.00 0.00 N ATOM 0 H ARG A 59 -0.532 -8.349 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 59 0.196 -11.165 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.427 -10.203 -0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.042 -11.855 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.008 -12.231 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.008 -10.802 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.191 -9.879 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.543 -9.758 1.684 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.592 -11.560 2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.230 -11.272 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.429 -12.435 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.832 -13.045 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.457 -13.433 5.476 1.00 0.00 H new ATOM 960 N CYS A 60 -2.414 -9.533 -2.675 1.00 0.00 N ATOM 961 CA CYS A 60 -3.149 -9.255 -3.907 1.00 0.00 C ATOM 962 C CYS A 60 -2.697 -7.940 -4.545 1.00 0.00 C ATOM 963 O CYS A 60 -3.140 -7.591 -5.638 1.00 0.00 O ATOM 964 CB CYS A 60 -4.658 -9.204 -3.634 1.00 0.00 C ATOM 965 SG CYS A 60 -5.197 -7.769 -2.647 1.00 0.00 S ATOM 0 H CYS A 60 -2.864 -9.185 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.936 -10.066 -4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.187 -9.193 -4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.952 -10.117 -3.116 1.00 0.00 H new ATOM 970 N HIS A 61 -1.819 -7.212 -3.855 1.00 0.00 N ATOM 971 CA HIS A 61 -1.316 -5.936 -4.357 1.00 0.00 C ATOM 972 C HIS A 61 -2.431 -4.898 -4.428 1.00 0.00 C ATOM 973 O HIS A 61 -3.114 -4.769 -5.445 1.00 0.00 O ATOM 974 CB HIS A 61 -0.675 -6.115 -5.736 1.00 0.00 C ATOM 975 CG HIS A 61 0.763 -6.528 -5.676 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.797 -5.719 -6.097 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.338 -7.672 -5.237 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.946 -6.349 -5.923 1.00 0.00 C ATOM 979 NE2 HIS A 61 2.695 -7.535 -5.401 1.00 0.00 N ATOM 0 H HIS A 61 -1.442 -7.485 -2.947 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.558 -5.578 -3.660 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.237 -6.863 -6.295 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.753 -5.179 -6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.825 -8.532 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.924 -5.960 -6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.395 -8.236 -5.159 1.00 0.00 H new ATOM 988 N ILE A 62 -2.603 -4.157 -3.340 1.00 0.00 N ATOM 989 CA ILE A 62 -3.625 -3.121 -3.264 1.00 0.00 C ATOM 990 C ILE A 62 -3.170 -1.988 -2.356 1.00 0.00 C ATOM 991 O ILE A 62 -2.697 -2.226 -1.247 1.00 0.00 O ATOM 992 CB ILE A 62 -4.960 -3.678 -2.732 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.762 -4.342 -1.370 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.547 -4.665 -3.721 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.920 -4.122 -0.421 1.00 0.00 C ATOM 0 H ILE A 62 -2.043 -4.256 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.778 -2.748 -4.277 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.657 -2.849 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.618 -5.413 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.850 -3.956 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.490 -5.051 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.724 -4.165 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.850 -5.490 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.714 -4.620 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.051 -3.054 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.831 -4.534 -0.856 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.308 -0.755 -2.826 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.893 0.392 -2.034 1.00 0.00 C ATOM 1009 C LYS A 63 -4.075 1.023 -1.310 1.00 0.00 C ATOM 1010 O LYS A 63 -5.198 1.026 -1.813 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.200 1.441 -2.903 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.334 0.851 -4.005 1.00 0.00 C ATOM 1013 CD LYS A 63 -2.051 0.864 -5.348 1.00 0.00 C ATOM 1014 CE LYS A 63 -2.335 -0.545 -5.844 1.00 0.00 C ATOM 1015 NZ LYS A 63 -3.697 -0.659 -6.437 1.00 0.00 N ATOM 0 H LYS A 63 -3.699 -0.526 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.184 0.028 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.957 2.084 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.581 2.074 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.406 1.417 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.062 -0.173 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.988 1.414 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.442 1.393 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.590 -0.825 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.239 -1.248 -5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.853 -1.634 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.410 -0.416 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.781 -0.007 -7.243 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.806 1.556 -0.123 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.836 2.194 0.687 1.00 0.00 C ATOM 1031 C CYS A 64 -4.212 3.160 1.689 1.00 0.00 C ATOM 1032 O CYS A 64 -3.367 2.767 2.494 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.642 1.134 1.437 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.848 0.248 0.425 1.00 0.00 S ATOM 0 H CYS A 64 -2.878 1.558 0.301 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.496 2.753 0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.951 0.411 1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.164 1.613 2.265 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.417 0.174 -0.799 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.628 4.422 1.641 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.096 5.434 2.560 1.00 0.00 C ATOM 1042 C HIS A 65 -4.113 4.922 3.988 1.00 0.00 C ATOM 1043 O HIS A 65 -5.104 4.352 4.443 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.884 6.760 2.517 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.892 6.866 1.417 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.867 7.787 0.392 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.998 6.133 1.230 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.956 7.577 -0.371 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.674 6.576 0.106 1.00 0.00 N ATOM 0 H HIS A 65 -5.325 4.770 0.983 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.076 5.628 2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.395 6.891 3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.175 7.582 2.419 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.153 8.499 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.315 5.317 1.863 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.208 8.148 -1.252 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.026 5.161 4.703 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.938 4.758 6.095 1.00 0.00 C ATOM 1059 C LYS A 66 -4.163 5.272 6.844 1.00 0.00 C ATOM 1060 O LYS A 66 -4.626 4.659 7.807 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.654 5.300 6.729 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.557 5.043 8.225 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.300 4.260 8.576 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.459 3.514 9.891 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.045 4.309 11.045 1.00 0.00 N ATOM 0 H LYS A 66 -2.195 5.631 4.343 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.910 3.670 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.795 4.846 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.595 6.373 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.556 5.993 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.436 4.491 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.077 3.551 7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.548 4.942 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.511 3.274 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.080 2.568 9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.081 3.765 11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.055 4.517 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.486 5.201 11.111 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.681 6.412 6.382 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.850 7.035 6.987 1.00 0.00 C ATOM 1081 C ASP A 67 -7.012 6.051 7.125 1.00 0.00 C ATOM 1082 O ASP A 67 -7.654 5.993 8.173 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.291 8.241 6.156 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.251 9.344 6.142 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.563 9.525 7.168 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.123 10.026 5.103 1.00 0.00 O ATOM 0 H ASP A 67 -4.302 6.922 5.584 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.567 7.361 7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.491 7.921 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.226 8.632 6.556 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.294 5.283 6.069 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.406 4.321 6.121 1.00 0.00 C ATOM 1093 C HIS A 68 -8.275 3.393 7.325 1.00 0.00 C ATOM 1094 O HIS A 68 -9.222 3.218 8.091 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.498 3.487 4.839 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.109 4.226 3.692 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.119 5.156 3.824 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.776 4.220 2.382 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.354 5.682 2.612 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.562 5.148 1.702 1.00 0.00 N ATOM 0 H HIS A 68 -6.784 5.304 5.186 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.321 4.905 6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.498 3.156 4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.086 2.591 5.039 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.601 5.400 4.689 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.019 3.594 1.933 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.094 6.442 2.408 1.00 0.00 H new ATOM 1108 N MET A 69 -7.097 2.798 7.488 1.00 0.00 N ATOM 1109 CA MET A 69 -6.851 1.887 8.600 1.00 0.00 C ATOM 1110 C MET A 69 -6.982 2.612 9.935 1.00 0.00 C ATOM 1111 O MET A 69 -7.655 2.135 10.848 1.00 0.00 O ATOM 1112 CB MET A 69 -5.460 1.264 8.480 1.00 0.00 C ATOM 1113 CG MET A 69 -5.187 0.183 9.513 1.00 0.00 C ATOM 1114 SD MET A 69 -6.091 -1.341 9.179 1.00 0.00 S ATOM 1115 CE MET A 69 -5.508 -1.727 7.530 1.00 0.00 C ATOM 0 H MET A 69 -6.300 2.930 6.866 1.00 0.00 H new ATOM 0 HA MET A 69 -7.600 1.096 8.561 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.346 0.839 7.483 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.710 2.048 8.580 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.118 -0.031 9.536 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.459 0.553 10.501 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.322 -1.597 6.817 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.687 -1.060 7.269 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.160 -2.760 7.499 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.334 3.769 10.042 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.378 4.559 11.265 1.00 0.00 C ATOM 1127 C ASP A 70 -7.809 4.962 11.603 1.00 0.00 C ATOM 1128 O ASP A 70 -8.163 5.113 12.773 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.503 5.807 11.120 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.689 6.092 12.368 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -3.653 5.424 12.566 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -5.090 6.983 13.146 1.00 0.00 O ATOM 0 H ASP A 70 -5.773 4.179 9.295 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.993 3.945 12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.830 5.679 10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.135 6.667 10.898 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.630 5.135 10.571 1.00 0.00 N ATOM 1138 CA LYS A 71 -10.024 5.521 10.760 1.00 0.00 C ATOM 1139 C LYS A 71 -10.918 4.296 10.924 1.00 0.00 C ATOM 1140 O LYS A 71 -12.018 4.387 11.470 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.505 6.364 9.576 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.672 7.615 9.342 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.504 8.879 9.488 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.713 9.994 10.157 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.604 11.027 10.752 1.00 0.00 N ATOM 0 H LYS A 71 -8.354 5.014 9.597 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.087 6.114 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.488 5.752 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.542 6.654 9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.845 7.640 10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.235 7.580 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.841 9.210 8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.397 8.662 10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.077 9.572 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.054 10.461 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.027 11.768 11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.193 11.449 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.216 10.587 11.469 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.443 3.149 10.448 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.203 1.905 10.544 1.00 0.00 C ATOM 1161 C LYS A 72 -12.478 1.981 9.707 1.00 0.00 C ATOM 1162 O LYS A 72 -13.577 1.730 10.201 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.541 1.601 12.008 1.00 0.00 C ATOM 1164 CG LYS A 72 -11.080 0.228 12.465 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.813 -0.880 11.727 1.00 0.00 C ATOM 1166 CE LYS A 72 -11.070 -2.202 11.828 1.00 0.00 C ATOM 1167 NZ LYS A 72 -10.891 -2.632 13.242 1.00 0.00 N ATOM 0 H LYS A 72 -9.536 3.054 9.992 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.587 1.096 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.083 2.359 12.643 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.619 1.678 12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.007 0.129 12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.247 0.125 13.537 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.816 -0.992 12.140 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.929 -0.606 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.619 -2.969 11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.094 -2.107 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.519 -3.603 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.221 -1.993 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.807 -2.600 13.733 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.320 2.328 8.433 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.456 2.438 7.524 1.00 0.00 C ATOM 1183 C GLU A 73 -13.897 1.062 7.036 1.00 0.00 C ATOM 1184 O GLU A 73 -13.095 0.292 6.509 1.00 0.00 O ATOM 1185 CB GLU A 73 -13.095 3.322 6.329 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.665 4.727 6.720 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.990 5.754 5.653 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.069 5.647 5.035 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.164 6.666 5.435 1.00 0.00 O ATOM 0 H GLU A 73 -11.417 2.538 8.007 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.283 2.894 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.290 2.848 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.955 3.386 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.157 5.008 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.592 4.735 6.912 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.181 0.760 7.212 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.732 -0.522 6.787 1.00 0.00 C ATOM 1198 C GLU A 74 -15.489 -0.755 5.297 1.00 0.00 C ATOM 1199 O GLU A 74 -15.481 -1.893 4.830 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.232 -0.578 7.085 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.053 0.407 6.269 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.376 0.746 6.928 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -20.252 -0.142 6.991 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -19.538 1.900 7.379 1.00 0.00 O ATOM 0 H GLU A 74 -15.859 1.386 7.646 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.226 -1.309 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.595 -1.588 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.391 -0.380 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.478 1.322 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.240 -0.012 5.280 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.292 0.333 4.559 1.00 0.00 N ATOM 1212 CA ILE A 75 -15.050 0.257 3.123 1.00 0.00 C ATOM 1213 C ILE A 75 -13.951 -0.751 2.793 1.00 0.00 C ATOM 1214 O ILE A 75 -13.933 -1.329 1.705 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.665 1.639 2.557 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.334 2.109 3.154 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.770 2.645 2.847 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.992 3.549 2.825 1.00 0.00 C ATOM 0 H ILE A 75 -15.295 1.282 4.934 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.978 -0.076 2.659 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.543 1.558 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.371 1.992 4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.535 1.463 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.491 3.619 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.697 2.312 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.915 2.726 3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.037 3.810 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.922 3.668 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.771 4.206 3.213 1.00 0.00 H new ATOM 1230 N ILE A 76 -13.040 -0.962 3.738 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.944 -1.905 3.547 1.00 0.00 C ATOM 1232 C ILE A 76 -12.427 -3.342 3.716 1.00 0.00 C ATOM 1233 O ILE A 76 -13.284 -3.624 4.553 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.794 -1.641 4.542 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.302 -0.198 4.415 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.650 -2.619 4.312 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.164 0.138 5.355 1.00 0.00 C ATOM 0 H ILE A 76 -13.039 -0.493 4.644 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.574 -1.762 2.532 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.171 -1.790 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.979 -0.022 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.134 0.479 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.849 -2.416 5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -10.009 -3.639 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.271 -2.503 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.867 1.177 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.489 -0.006 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.316 -0.515 5.148 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.871 -4.248 2.917 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.246 -5.655 2.987 1.00 0.00 C ATOM 1251 C ALA A 77 -11.021 -6.552 3.093 1.00 0.00 C ATOM 1252 O ALA A 77 -9.899 -6.127 2.813 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.075 -6.051 1.775 1.00 0.00 C ATOM 0 H ALA A 77 -11.162 -4.033 2.216 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.846 -5.789 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.344 -7.105 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.981 -5.446 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.494 -5.886 0.867 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.226 -7.814 3.497 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.140 -8.788 3.639 1.00 0.00 C ATOM 1261 C PRO A 78 -9.482 -9.129 2.305 1.00 0.00 C ATOM 1262 O PRO A 78 -10.016 -8.818 1.239 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.837 -10.025 4.210 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.274 -9.867 3.852 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.537 -8.390 3.846 1.00 0.00 C ATOM 0 HA PRO A 78 -9.337 -8.402 4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.424 -10.940 3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.705 -10.087 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.484 -10.305 2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.914 -10.375 4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.302 -8.120 3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.885 -8.039 4.818 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.323 -9.779 2.371 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.595 -10.174 1.170 1.00 0.00 C ATOM 1275 C CYS A 79 -8.318 -11.313 0.456 1.00 0.00 C ATOM 1276 O CYS A 79 -8.949 -12.153 1.096 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.170 -10.599 1.528 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.992 -10.467 0.140 1.00 0.00 S ATOM 0 H CYS A 79 -7.868 -10.043 3.245 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.548 -9.316 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.814 -9.984 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.186 -11.630 1.882 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.235 -11.330 -0.871 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.899 -12.364 -1.660 1.00 0.00 C ATOM 1285 C LYS A 80 -7.921 -13.438 -2.136 1.00 0.00 C ATOM 1286 O LYS A 80 -8.262 -14.621 -2.175 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.613 -11.740 -2.863 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.745 -10.779 -3.660 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.761 -11.110 -5.144 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.149 -12.474 -5.418 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.699 -13.091 -6.656 1.00 0.00 N ATOM 0 H LYS A 80 -7.718 -10.644 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.631 -12.845 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.957 -12.536 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.499 -11.210 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.099 -9.759 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.721 -10.819 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.787 -11.090 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.211 -10.346 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.068 -12.374 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.336 -13.133 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.256 -14.020 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.727 -13.210 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.498 -12.475 -7.470 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.710 -13.029 -2.505 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.707 -13.976 -2.984 1.00 0.00 C ATOM 1307 C VAL A 81 -5.346 -14.996 -1.909 1.00 0.00 C ATOM 1308 O VAL A 81 -4.981 -16.130 -2.216 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.422 -13.261 -3.449 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.724 -12.322 -4.607 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.772 -12.510 -2.299 1.00 0.00 C ATOM 0 H VAL A 81 -6.401 -12.057 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.152 -14.492 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.717 -14.017 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.806 -11.826 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.133 -12.893 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.450 -11.574 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.868 -12.014 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.467 -11.764 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.514 -13.212 -1.506 1.00 0.00 H new ATOM 1321 N TYR A 82 -5.450 -14.588 -0.649 1.00 0.00 N ATOM 1322 CA TYR A 82 -5.135 -15.472 0.467 1.00 0.00 C ATOM 1323 C TYR A 82 -6.167 -16.589 0.591 1.00 0.00 C ATOM 1324 O TYR A 82 -5.867 -17.671 1.094 1.00 0.00 O ATOM 1325 CB TYR A 82 -5.060 -14.677 1.772 1.00 0.00 C ATOM 1326 CG TYR A 82 -3.784 -14.908 2.551 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -2.557 -14.501 2.045 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -3.808 -15.538 3.790 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -1.388 -14.714 2.751 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -2.643 -15.752 4.503 1.00 0.00 C ATOM 1331 CZ TYR A 82 -1.437 -15.338 3.980 1.00 0.00 C ATOM 1332 OH TYR A 82 -0.275 -15.551 4.687 1.00 0.00 O ATOM 0 H TYR A 82 -5.750 -13.652 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.163 -15.926 0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.150 -13.615 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.911 -14.943 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.515 -14.010 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.751 -15.865 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.441 -14.393 2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.678 -16.241 5.465 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.484 -16.000 5.532 1.00 0.00 H new ATOM 1342 N TYR A 83 -7.385 -16.319 0.130 1.00 0.00 N ATOM 1343 CA TYR A 83 -8.460 -17.301 0.191 1.00 0.00 C ATOM 1344 C TYR A 83 -8.540 -18.101 -1.106 1.00 0.00 C ATOM 1345 O TYR A 83 -8.479 -19.331 -1.093 1.00 0.00 O ATOM 1346 CB TYR A 83 -9.797 -16.611 0.461 1.00 0.00 C ATOM 1347 CG TYR A 83 -9.922 -16.060 1.864 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -9.047 -15.086 2.329 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -10.914 -16.516 2.723 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -9.158 -14.581 3.610 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -11.030 -16.015 4.006 1.00 0.00 C ATOM 1352 CZ TYR A 83 -10.150 -15.048 4.445 1.00 0.00 C ATOM 1353 OH TYR A 83 -10.264 -14.547 5.721 1.00 0.00 O ATOM 0 H TYR A 83 -7.651 -15.428 -0.290 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.243 -17.988 1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.927 -15.797 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.605 -17.321 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.268 -14.718 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -11.605 -17.273 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.470 -13.823 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.807 -16.379 4.662 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.015 -14.981 6.177 1.00 0.00 H new ATOM 1363 N ASP A 84 -8.678 -17.396 -2.223 1.00 0.00 N ATOM 1364 CA ASP A 84 -8.766 -18.041 -3.528 1.00 0.00 C ATOM 1365 C ASP A 84 -7.508 -18.850 -3.821 1.00 0.00 C ATOM 1366 O ASP A 84 -6.551 -18.340 -4.404 1.00 0.00 O ATOM 1367 CB ASP A 84 -8.985 -16.995 -4.624 1.00 0.00 C ATOM 1368 CG ASP A 84 -10.143 -17.347 -5.537 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -11.295 -17.373 -5.052 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -9.900 -17.593 -6.737 1.00 0.00 O ATOM 0 H ASP A 84 -8.731 -16.378 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.617 -18.722 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.171 -16.024 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.075 -16.898 -5.217 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.706 -8.248 -0.458 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.363 5.536 -0.265 1.00 1.00 ZN