USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -33:sc= -1.1 USER MOD Set 1.2: A 105 HEM CMB :methyl -30:sc= -0.59 (180deg=-0.0589) USER MOD Set 2.1: A 53 GLN : amide:sc= -13.1! C(o=-25!,f=-29!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -12! (180deg=-9.73!) USER MOD Set 3.1: A 25 THR OG1 : rot -45:sc= 0.0427 USER MOD Set 3.2: A 37 THR OG1 : rot -21:sc= -0.351 USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.176 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -177:sc= 0.868 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.286 USER MOD Single : A 17 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.68) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -25.2! C(o=-25!,f=-30!) USER MOD Single : A 20 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00554 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 18:sc= 1.14 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -22.9! C(o=-23!,f=-24!) USER MOD Single : A 59 THR OG1 : rot -14:sc= -1.34! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 68 SER OG : rot -103:sc= 0.249 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -8.72! C(o=-10!,f=-8.7!) USER MOD Single : A 89 SER OG : rot -28:sc= 0.812 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 19:sc= -0.507 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -4.55! (180deg=-4.55!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 31.880 1.778 -34.447 1.00 0.00 N ATOM 2 CA ALA A 1 31.293 0.451 -34.390 1.00 0.00 C ATOM 3 C ALA A 1 29.775 0.562 -34.538 1.00 0.00 C ATOM 4 O ALA A 1 29.240 1.661 -34.683 1.00 0.00 O ATOM 5 CB ALA A 1 31.702 -0.235 -33.085 1.00 0.00 C ATOM 0 H1 ALA A 1 32.505 1.846 -35.276 1.00 0.00 H new ATOM 0 H2 ALA A 1 31.125 2.489 -34.523 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.432 1.951 -33.583 1.00 0.00 H new ATOM 0 HA ALA A 1 31.661 -0.165 -35.211 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.261 -1.231 -33.044 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.788 -0.317 -33.042 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.349 0.354 -32.238 1.00 0.00 H new ATOM 11 N GLU A 2 29.121 -0.590 -34.496 1.00 0.00 N ATOM 12 CA GLU A 2 27.674 -0.635 -34.624 1.00 0.00 C ATOM 13 C GLU A 2 27.027 -0.862 -33.256 1.00 0.00 C ATOM 14 O GLU A 2 27.721 -1.104 -32.270 1.00 0.00 O ATOM 15 CB GLU A 2 27.244 -1.715 -35.619 1.00 0.00 C ATOM 16 CG GLU A 2 27.607 -3.108 -35.104 1.00 0.00 C ATOM 17 CD GLU A 2 28.798 -3.684 -35.872 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.742 -3.646 -37.120 1.00 0.00 O ATOM 19 OE2 GLU A 2 29.739 -4.148 -35.193 1.00 0.00 O ATOM 0 H GLU A 2 29.567 -1.499 -34.375 1.00 0.00 H new ATOM 0 HA GLU A 2 27.334 0.325 -35.011 1.00 0.00 H new ATOM 0 HB2 GLU A 2 26.169 -1.654 -35.786 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.726 -1.542 -36.581 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.846 -3.056 -34.042 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.749 -3.772 -35.206 1.00 0.00 H new ATOM 26 N GLU A 3 25.706 -0.772 -33.239 1.00 0.00 N ATOM 27 CA GLU A 3 24.958 -0.964 -32.008 1.00 0.00 C ATOM 28 C GLU A 3 23.527 -1.404 -32.321 1.00 0.00 C ATOM 29 O GLU A 3 23.111 -1.402 -33.479 1.00 0.00 O ATOM 30 CB GLU A 3 24.967 0.308 -31.157 1.00 0.00 C ATOM 31 CG GLU A 3 25.242 -0.019 -29.688 1.00 0.00 C ATOM 32 CD GLU A 3 24.708 1.084 -28.772 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.085 2.252 -29.009 1.00 0.00 O ATOM 34 OE2 GLU A 3 23.933 0.733 -27.856 1.00 0.00 O ATOM 0 H GLU A 3 25.134 -0.569 -34.058 1.00 0.00 H new ATOM 0 HA GLU A 3 25.442 -1.752 -31.430 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.728 0.994 -31.529 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.007 0.817 -31.247 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.775 -0.969 -29.430 1.00 0.00 H new ATOM 0 HG3 GLU A 3 26.314 -0.138 -29.533 1.00 0.00 H new ATOM 41 N SER A 4 22.811 -1.770 -31.267 1.00 0.00 N ATOM 42 CA SER A 4 21.435 -2.212 -31.414 1.00 0.00 C ATOM 43 C SER A 4 20.646 -1.901 -30.140 1.00 0.00 C ATOM 44 O SER A 4 21.218 -1.459 -29.145 1.00 0.00 O ATOM 45 CB SER A 4 21.367 -3.709 -31.729 1.00 0.00 C ATOM 46 OG SER A 4 20.857 -3.957 -33.034 1.00 0.00 O ATOM 0 H SER A 4 23.159 -1.769 -30.308 1.00 0.00 H new ATOM 0 HA SER A 4 20.990 -1.672 -32.250 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.363 -4.144 -31.640 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.736 -4.206 -30.993 1.00 0.00 H new ATOM 0 HG SER A 4 20.831 -4.923 -33.197 1.00 0.00 H new ATOM 52 N SER A 5 19.345 -2.144 -30.214 1.00 0.00 N ATOM 53 CA SER A 5 18.473 -1.896 -29.078 1.00 0.00 C ATOM 54 C SER A 5 17.140 -2.619 -29.276 1.00 0.00 C ATOM 55 O SER A 5 16.901 -3.215 -30.325 1.00 0.00 O ATOM 56 CB SER A 5 18.239 -0.396 -28.882 1.00 0.00 C ATOM 57 OG SER A 5 17.438 0.160 -29.920 1.00 0.00 O ATOM 0 H SER A 5 18.874 -2.510 -31.042 1.00 0.00 H new ATOM 0 HA SER A 5 18.959 -2.281 -28.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.754 -0.228 -27.920 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.199 0.119 -28.850 1.00 0.00 H new ATOM 0 HG SER A 5 17.311 1.118 -29.757 1.00 0.00 H new ATOM 63 N LYS A 6 16.305 -2.543 -28.249 1.00 0.00 N ATOM 64 CA LYS A 6 15.002 -3.183 -28.296 1.00 0.00 C ATOM 65 C LYS A 6 14.136 -2.654 -27.150 1.00 0.00 C ATOM 66 O LYS A 6 14.605 -1.875 -26.323 1.00 0.00 O ATOM 67 CB LYS A 6 15.152 -4.706 -28.300 1.00 0.00 C ATOM 68 CG LYS A 6 15.609 -5.215 -26.931 1.00 0.00 C ATOM 69 CD LYS A 6 16.175 -6.632 -27.034 1.00 0.00 C ATOM 70 CE LYS A 6 16.454 -7.215 -25.647 1.00 0.00 C ATOM 71 NZ LYS A 6 17.536 -8.221 -25.714 1.00 0.00 N ATOM 0 H LYS A 6 16.506 -2.048 -27.380 1.00 0.00 H new ATOM 0 HA LYS A 6 14.490 -2.934 -29.225 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.201 -5.168 -28.565 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.873 -5.002 -29.062 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.367 -4.545 -26.525 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.769 -5.205 -26.236 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.470 -7.271 -27.566 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.095 -6.618 -27.618 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.735 -6.416 -24.960 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.548 -7.673 -25.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.712 -8.606 -24.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.254 -8.992 -26.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.404 -7.774 -26.072 1.00 0.00 H new ATOM 85 N ALA A 7 12.888 -3.099 -27.140 1.00 0.00 N ATOM 86 CA ALA A 7 11.953 -2.680 -26.109 1.00 0.00 C ATOM 87 C ALA A 7 12.074 -3.616 -24.905 1.00 0.00 C ATOM 88 O ALA A 7 12.129 -4.834 -25.065 1.00 0.00 O ATOM 89 CB ALA A 7 10.536 -2.650 -26.686 1.00 0.00 C ATOM 0 H ALA A 7 12.503 -3.745 -27.829 1.00 0.00 H new ATOM 0 HA ALA A 7 12.186 -1.672 -25.766 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.835 -2.336 -25.913 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.497 -1.947 -27.518 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.265 -3.645 -27.038 1.00 0.00 H new ATOM 95 N VAL A 8 12.111 -3.012 -23.728 1.00 0.00 N ATOM 96 CA VAL A 8 12.224 -3.777 -22.497 1.00 0.00 C ATOM 97 C VAL A 8 11.669 -5.184 -22.725 1.00 0.00 C ATOM 98 O VAL A 8 12.376 -6.173 -22.535 1.00 0.00 O ATOM 99 CB VAL A 8 11.527 -3.037 -21.354 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.831 -1.772 -21.864 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.537 -3.951 -20.631 1.00 0.00 C ATOM 0 H VAL A 8 12.065 -2.001 -23.599 1.00 0.00 H new ATOM 0 HA VAL A 8 13.269 -3.882 -22.207 1.00 0.00 H new ATOM 0 HB VAL A 8 12.290 -2.735 -20.637 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.343 -1.264 -21.032 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.569 -1.107 -22.313 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.085 -2.043 -22.611 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.056 -3.400 -19.823 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.780 -4.297 -21.335 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.068 -4.809 -20.219 1.00 0.00 H new ATOM 111 N LYS A 9 10.406 -5.230 -23.127 1.00 0.00 N ATOM 112 CA LYS A 9 9.748 -6.500 -23.382 1.00 0.00 C ATOM 113 C LYS A 9 9.312 -7.119 -22.052 1.00 0.00 C ATOM 114 O LYS A 9 8.160 -7.522 -21.901 1.00 0.00 O ATOM 115 CB LYS A 9 10.648 -7.412 -24.218 1.00 0.00 C ATOM 116 CG LYS A 9 9.996 -7.744 -25.562 1.00 0.00 C ATOM 117 CD LYS A 9 9.832 -9.255 -25.735 1.00 0.00 C ATOM 118 CE LYS A 9 10.258 -9.695 -27.137 1.00 0.00 C ATOM 119 NZ LYS A 9 11.557 -10.403 -27.087 1.00 0.00 N ATOM 0 H LYS A 9 9.822 -4.408 -23.282 1.00 0.00 H new ATOM 0 HA LYS A 9 8.846 -6.349 -23.976 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.609 -6.925 -24.386 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.848 -8.333 -23.670 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.022 -7.259 -25.627 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.605 -7.346 -26.374 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.430 -9.777 -24.988 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.792 -9.534 -25.562 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.498 -10.348 -27.566 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.336 -8.825 -27.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.831 -10.694 -28.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.283 -9.769 -26.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.471 -11.244 -26.481 1.00 0.00 H new ATOM 133 N TYR A 10 10.256 -7.175 -21.124 1.00 0.00 N ATOM 134 CA TYR A 10 9.982 -7.738 -19.813 1.00 0.00 C ATOM 135 C TYR A 10 10.588 -6.871 -18.707 1.00 0.00 C ATOM 136 O TYR A 10 11.767 -6.521 -18.762 1.00 0.00 O ATOM 137 CB TYR A 10 10.656 -9.112 -19.796 1.00 0.00 C ATOM 138 CG TYR A 10 11.654 -9.330 -20.934 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.945 -8.855 -20.822 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.263 -10.001 -22.075 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.884 -9.061 -21.894 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.202 -10.207 -23.147 1.00 0.00 C ATOM 143 CZ TYR A 10 13.466 -9.726 -23.004 1.00 0.00 C ATOM 144 OH TYR A 10 14.353 -9.921 -24.017 1.00 0.00 O ATOM 0 H TYR A 10 11.211 -6.840 -21.254 1.00 0.00 H new ATOM 0 HA TYR A 10 8.908 -7.797 -19.636 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.172 -9.240 -18.845 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.887 -9.883 -19.848 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.251 -8.329 -19.930 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.252 -10.372 -22.164 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.897 -8.696 -21.818 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.909 -10.732 -24.044 1.00 0.00 H new ATOM 0 HH TYR A 10 13.916 -10.411 -24.745 1.00 0.00 H new ATOM 154 N TYR A 11 9.756 -6.550 -17.728 1.00 0.00 N ATOM 155 CA TYR A 11 10.195 -5.731 -16.611 1.00 0.00 C ATOM 156 C TYR A 11 9.683 -6.293 -15.284 1.00 0.00 C ATOM 157 O TYR A 11 8.811 -7.161 -15.269 1.00 0.00 O ATOM 158 CB TYR A 11 9.581 -4.347 -16.835 1.00 0.00 C ATOM 159 CG TYR A 11 10.545 -3.330 -17.450 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.884 -3.640 -17.578 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.076 -2.105 -17.875 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.793 -2.683 -18.155 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.985 -1.148 -18.453 1.00 0.00 C ATOM 164 CZ TYR A 11 12.298 -1.484 -18.565 1.00 0.00 C ATOM 165 OH TYR A 11 13.156 -0.580 -19.110 1.00 0.00 O ATOM 0 H TYR A 11 8.780 -6.842 -17.685 1.00 0.00 H new ATOM 0 HA TYR A 11 11.283 -5.703 -16.561 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.712 -4.447 -17.485 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.222 -3.961 -15.881 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.250 -4.600 -17.246 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.028 -1.863 -17.775 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.843 -2.912 -18.260 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.631 -0.185 -18.790 1.00 0.00 H new ATOM 0 HH TYR A 11 12.673 0.248 -19.314 1.00 0.00 H new ATOM 175 N THR A 12 10.246 -5.777 -14.202 1.00 0.00 N ATOM 176 CA THR A 12 9.858 -6.217 -12.873 1.00 0.00 C ATOM 177 C THR A 12 9.035 -5.134 -12.172 1.00 0.00 C ATOM 178 O THR A 12 9.227 -3.945 -12.421 1.00 0.00 O ATOM 179 CB THR A 12 11.128 -6.603 -12.112 1.00 0.00 C ATOM 180 OG1 THR A 12 11.807 -5.364 -11.920 1.00 0.00 O ATOM 181 CG2 THR A 12 12.094 -7.429 -12.965 1.00 0.00 C ATOM 0 H THR A 12 10.969 -5.057 -14.219 1.00 0.00 H new ATOM 0 HA THR A 12 9.212 -7.093 -12.920 1.00 0.00 H new ATOM 0 HB THR A 12 10.859 -7.167 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.642 -5.521 -11.432 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.978 -7.676 -12.377 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.602 -8.348 -13.285 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.390 -6.852 -13.841 1.00 0.00 H new ATOM 189 N LEU A 13 8.136 -5.585 -11.309 1.00 0.00 N ATOM 190 CA LEU A 13 7.282 -4.670 -10.572 1.00 0.00 C ATOM 191 C LEU A 13 8.137 -3.540 -9.991 1.00 0.00 C ATOM 192 O LEU A 13 7.702 -2.391 -9.946 1.00 0.00 O ATOM 193 CB LEU A 13 6.468 -5.427 -9.520 1.00 0.00 C ATOM 194 CG LEU A 13 5.008 -5.708 -9.878 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.205 -6.103 -8.638 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.384 -4.518 -10.610 1.00 0.00 C ATOM 0 H LEU A 13 7.981 -6.572 -11.104 1.00 0.00 H new ATOM 0 HA LEU A 13 6.551 -4.210 -11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.962 -6.378 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.491 -4.856 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 13 4.982 -6.556 -10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.170 -6.297 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.635 -7.002 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.236 -5.292 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.346 -4.744 -10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.423 -3.636 -9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.938 -4.325 -11.529 1.00 0.00 H new ATOM 208 N GLU A 14 9.336 -3.908 -9.562 1.00 0.00 N ATOM 209 CA GLU A 14 10.253 -2.940 -8.988 1.00 0.00 C ATOM 210 C GLU A 14 10.682 -1.920 -10.046 1.00 0.00 C ATOM 211 O GLU A 14 10.629 -0.715 -9.810 1.00 0.00 O ATOM 212 CB GLU A 14 11.469 -3.635 -8.370 1.00 0.00 C ATOM 213 CG GLU A 14 11.543 -3.376 -6.865 1.00 0.00 C ATOM 214 CD GLU A 14 10.999 -4.568 -6.076 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.763 -4.750 -6.104 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.831 -5.269 -5.463 1.00 0.00 O ATOM 0 H GLU A 14 9.692 -4.863 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 14 9.735 -2.408 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.412 -4.708 -8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.380 -3.276 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.576 -3.185 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.972 -2.481 -6.618 1.00 0.00 H new ATOM 223 N GLU A 15 11.099 -2.445 -11.190 1.00 0.00 N ATOM 224 CA GLU A 15 11.537 -1.595 -12.285 1.00 0.00 C ATOM 225 C GLU A 15 10.451 -0.575 -12.633 1.00 0.00 C ATOM 226 O GLU A 15 10.755 0.557 -13.004 1.00 0.00 O ATOM 227 CB GLU A 15 11.915 -2.432 -13.509 1.00 0.00 C ATOM 228 CG GLU A 15 13.396 -2.816 -13.474 1.00 0.00 C ATOM 229 CD GLU A 15 14.140 -2.239 -14.681 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.568 -1.070 -14.577 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.265 -2.983 -15.678 1.00 0.00 O ATOM 0 H GLU A 15 11.143 -3.446 -11.382 1.00 0.00 H new ATOM 0 HA GLU A 15 12.427 -1.053 -11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.303 -3.333 -13.541 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.703 -1.870 -14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.849 -2.449 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.494 -3.902 -13.467 1.00 0.00 H new ATOM 238 N ILE A 16 9.208 -1.013 -12.501 1.00 0.00 N ATOM 239 CA ILE A 16 8.076 -0.151 -12.797 1.00 0.00 C ATOM 240 C ILE A 16 7.803 0.755 -11.596 1.00 0.00 C ATOM 241 O ILE A 16 7.481 1.931 -11.762 1.00 0.00 O ATOM 242 CB ILE A 16 6.866 -0.985 -13.226 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.288 -2.129 -14.151 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.788 -0.102 -13.859 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.626 -3.443 -13.733 1.00 0.00 C ATOM 0 H ILE A 16 8.960 -1.953 -12.193 1.00 0.00 H new ATOM 0 HA ILE A 16 8.303 0.499 -13.642 1.00 0.00 H new ATOM 0 HB ILE A 16 6.429 -1.437 -12.335 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.014 -1.890 -15.179 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.372 -2.240 -14.127 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.940 -0.719 -14.155 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.459 0.645 -13.137 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.197 0.398 -14.737 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.942 -4.240 -14.406 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.921 -3.691 -12.713 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.542 -3.336 -13.781 1.00 0.00 H new ATOM 257 N GLN A 17 7.941 0.174 -10.413 1.00 0.00 N ATOM 258 CA GLN A 17 7.714 0.916 -9.184 1.00 0.00 C ATOM 259 C GLN A 17 8.582 2.177 -9.156 1.00 0.00 C ATOM 260 O GLN A 17 8.186 3.194 -8.590 1.00 0.00 O ATOM 261 CB GLN A 17 7.981 0.041 -7.959 1.00 0.00 C ATOM 262 CG GLN A 17 7.063 0.429 -6.797 1.00 0.00 C ATOM 263 CD GLN A 17 7.823 1.237 -5.743 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.956 0.945 -5.399 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.139 2.266 -5.252 1.00 0.00 N ATOM 0 H GLN A 17 8.207 -0.802 -10.279 1.00 0.00 H new ATOM 0 HA GLN A 17 6.667 1.218 -9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.826 -1.007 -8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.022 0.144 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.223 1.013 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.648 -0.470 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.193 2.455 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.560 2.867 -4.543 1.00 0.00 H new ATOM 274 N LYS A 18 9.749 2.067 -9.776 1.00 0.00 N ATOM 275 CA LYS A 18 10.674 3.186 -9.829 1.00 0.00 C ATOM 276 C LYS A 18 10.176 4.206 -10.854 1.00 0.00 C ATOM 277 O LYS A 18 10.155 5.405 -10.581 1.00 0.00 O ATOM 278 CB LYS A 18 12.097 2.690 -10.095 1.00 0.00 C ATOM 279 CG LYS A 18 12.440 2.782 -11.585 1.00 0.00 C ATOM 280 CD LYS A 18 13.808 2.158 -11.870 1.00 0.00 C ATOM 281 CE LYS A 18 14.714 3.143 -12.612 1.00 0.00 C ATOM 282 NZ LYS A 18 15.741 2.415 -13.391 1.00 0.00 N ATOM 0 H LYS A 18 10.074 1.221 -10.245 1.00 0.00 H new ATOM 0 HA LYS A 18 10.713 3.696 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.807 3.283 -9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.195 1.658 -9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.675 2.273 -12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.440 3.826 -11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.278 1.860 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.683 1.254 -12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.116 3.765 -13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.196 3.812 -11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.348 3.098 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.322 1.840 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.276 1.795 -14.085 1.00 0.00 H new ATOM 296 N HIS A 19 9.789 3.694 -12.013 1.00 0.00 N ATOM 297 CA HIS A 19 9.293 4.545 -13.080 1.00 0.00 C ATOM 298 C HIS A 19 7.915 5.093 -12.702 1.00 0.00 C ATOM 299 O HIS A 19 6.893 4.552 -13.121 1.00 0.00 O ATOM 300 CB HIS A 19 9.288 3.796 -14.415 1.00 0.00 C ATOM 301 CG HIS A 19 10.583 3.902 -15.184 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.645 4.363 -16.487 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.863 3.602 -14.819 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.911 4.337 -16.880 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.664 3.865 -15.845 1.00 0.00 N ATOM 0 H HIS A 19 9.809 2.699 -12.236 1.00 0.00 H new ATOM 0 HA HIS A 19 9.961 5.397 -13.210 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.073 2.744 -14.229 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.478 4.182 -15.033 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.852 4.671 -17.050 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.172 3.216 -13.859 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.281 4.637 -17.849 1.00 0.00 H new ATOM 314 N ASN A 20 7.933 6.157 -11.914 1.00 0.00 N ATOM 315 CA ASN A 20 6.698 6.784 -11.476 1.00 0.00 C ATOM 316 C ASN A 20 6.745 8.277 -11.800 1.00 0.00 C ATOM 317 O ASN A 20 6.020 9.070 -11.201 1.00 0.00 O ATOM 318 CB ASN A 20 6.511 6.634 -9.964 1.00 0.00 C ATOM 319 CG ASN A 20 5.406 7.560 -9.453 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.647 8.531 -8.754 1.00 0.00 O ATOM 321 ND2 ASN A 20 4.184 7.208 -9.840 1.00 0.00 N ATOM 0 H ASN A 20 8.783 6.601 -11.567 1.00 0.00 H new ATOM 0 HA ASN A 20 5.871 6.297 -11.993 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.263 5.600 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.447 6.863 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.378 7.763 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.052 6.383 -10.425 1.00 0.00 H new ATOM 328 N ASN A 21 7.607 8.619 -12.746 1.00 0.00 N ATOM 329 CA ASN A 21 7.760 10.003 -13.158 1.00 0.00 C ATOM 330 C ASN A 21 6.921 10.254 -14.412 1.00 0.00 C ATOM 331 O ASN A 21 6.713 9.346 -15.215 1.00 0.00 O ATOM 332 CB ASN A 21 9.217 10.323 -13.493 1.00 0.00 C ATOM 333 CG ASN A 21 10.163 9.733 -12.443 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.876 9.707 -11.257 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.302 9.265 -12.943 1.00 0.00 N ATOM 0 H ASN A 21 8.208 7.959 -13.240 1.00 0.00 H new ATOM 0 HA ASN A 21 7.433 10.636 -12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.464 9.923 -14.476 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.353 11.403 -13.545 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.000 8.853 -12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.479 9.318 -13.946 1.00 0.00 H new ATOM 342 N SER A 22 6.461 11.489 -14.542 1.00 0.00 N ATOM 343 CA SER A 22 5.648 11.870 -15.685 1.00 0.00 C ATOM 344 C SER A 22 6.501 11.867 -16.956 1.00 0.00 C ATOM 345 O SER A 22 6.070 12.358 -17.998 1.00 0.00 O ATOM 346 CB SER A 22 5.014 13.247 -15.476 1.00 0.00 C ATOM 347 OG SER A 22 5.991 14.251 -15.216 1.00 0.00 O ATOM 0 H SER A 22 6.636 12.240 -13.874 1.00 0.00 H new ATOM 0 HA SER A 22 4.844 11.142 -15.791 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.440 13.520 -16.362 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.312 13.200 -14.644 1.00 0.00 H new ATOM 0 HG SER A 22 5.546 15.115 -15.090 1.00 0.00 H new ATOM 353 N LYS A 23 7.695 11.305 -16.828 1.00 0.00 N ATOM 354 CA LYS A 23 8.611 11.232 -17.954 1.00 0.00 C ATOM 355 C LYS A 23 8.831 9.765 -18.330 1.00 0.00 C ATOM 356 O LYS A 23 9.093 9.450 -19.490 1.00 0.00 O ATOM 357 CB LYS A 23 9.904 11.987 -17.642 1.00 0.00 C ATOM 358 CG LYS A 23 9.963 13.311 -18.407 1.00 0.00 C ATOM 359 CD LYS A 23 11.327 13.984 -18.235 1.00 0.00 C ATOM 360 CE LYS A 23 11.260 15.465 -18.612 1.00 0.00 C ATOM 361 NZ LYS A 23 12.609 15.980 -18.932 1.00 0.00 N ATOM 0 H LYS A 23 8.049 10.897 -15.963 1.00 0.00 H new ATOM 0 HA LYS A 23 8.184 11.726 -18.827 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.968 12.178 -16.571 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.763 11.371 -17.908 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.773 13.132 -19.465 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.177 13.977 -18.050 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.658 13.883 -17.202 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.066 13.480 -18.858 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.601 15.598 -19.470 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.832 16.037 -17.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.545 16.987 -19.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.228 15.870 -18.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.004 15.446 -19.732 1.00 0.00 H new ATOM 375 N SER A 24 8.716 8.906 -17.328 1.00 0.00 N ATOM 376 CA SER A 24 8.900 7.480 -17.540 1.00 0.00 C ATOM 377 C SER A 24 7.735 6.705 -16.920 1.00 0.00 C ATOM 378 O SER A 24 7.871 5.526 -16.597 1.00 0.00 O ATOM 379 CB SER A 24 10.228 7.002 -16.950 1.00 0.00 C ATOM 380 OG SER A 24 11.130 8.082 -16.723 1.00 0.00 O ATOM 0 H SER A 24 8.498 9.170 -16.367 1.00 0.00 H new ATOM 0 HA SER A 24 8.923 7.294 -18.614 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.041 6.482 -16.010 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.687 6.282 -17.627 1.00 0.00 H new ATOM 0 HG SER A 24 11.965 7.737 -16.344 1.00 0.00 H new ATOM 386 N THR A 25 6.615 7.400 -16.774 1.00 0.00 N ATOM 387 CA THR A 25 5.428 6.791 -16.199 1.00 0.00 C ATOM 388 C THR A 25 5.269 5.353 -16.699 1.00 0.00 C ATOM 389 O THR A 25 4.845 5.129 -17.832 1.00 0.00 O ATOM 390 CB THR A 25 4.231 7.686 -16.531 1.00 0.00 C ATOM 391 OG1 THR A 25 4.755 9.009 -16.455 1.00 0.00 O ATOM 392 CG2 THR A 25 3.154 7.649 -15.445 1.00 0.00 C ATOM 0 H THR A 25 6.505 8.378 -17.044 1.00 0.00 H new ATOM 0 HA THR A 25 5.507 6.717 -15.114 1.00 0.00 H new ATOM 0 HB THR A 25 3.799 7.376 -17.482 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.303 9.098 -15.647 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.328 8.301 -15.730 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.788 6.629 -15.330 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.577 7.991 -14.501 1.00 0.00 H new ATOM 400 N TRP A 26 5.619 4.417 -15.830 1.00 0.00 N ATOM 401 CA TRP A 26 5.520 3.008 -16.169 1.00 0.00 C ATOM 402 C TRP A 26 4.490 2.367 -15.236 1.00 0.00 C ATOM 403 O TRP A 26 4.488 2.631 -14.034 1.00 0.00 O ATOM 404 CB TRP A 26 6.891 2.331 -16.101 1.00 0.00 C ATOM 405 CG TRP A 26 7.841 2.736 -17.231 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.594 3.552 -18.264 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.209 2.306 -17.398 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.698 3.680 -19.083 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.710 2.898 -18.540 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.996 1.446 -16.613 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.017 2.693 -18.998 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.299 1.253 -17.084 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.820 1.841 -18.230 1.00 0.00 C ATOM 0 H TRP A 26 5.971 4.607 -14.892 1.00 0.00 H new ATOM 0 HA TRP A 26 5.183 2.882 -17.198 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.356 2.571 -15.145 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.753 1.250 -16.126 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.650 4.048 -18.435 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.759 4.244 -19.930 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.624 0.972 -15.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.386 3.167 -19.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.946 0.601 -16.516 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.839 1.642 -18.527 1.00 0.00 H new ATOM 424 N LEU A 27 3.642 1.538 -15.824 1.00 0.00 N ATOM 425 CA LEU A 27 2.609 0.857 -15.060 1.00 0.00 C ATOM 426 C LEU A 27 2.315 -0.499 -15.704 1.00 0.00 C ATOM 427 O LEU A 27 2.822 -0.801 -16.783 1.00 0.00 O ATOM 428 CB LEU A 27 1.376 1.751 -14.913 1.00 0.00 C ATOM 429 CG LEU A 27 0.398 1.743 -16.090 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.146 1.668 -17.424 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.628 0.616 -15.946 1.00 0.00 C ATOM 0 H LEU A 27 3.648 1.321 -16.821 1.00 0.00 H new ATOM 0 HA LEU A 27 2.952 0.659 -14.045 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.836 1.448 -14.016 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.712 2.775 -14.752 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.153 2.683 -16.080 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.428 1.664 -18.244 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.803 2.532 -17.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.740 0.755 -17.457 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.310 0.634 -16.796 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.112 -0.344 -15.915 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.193 0.754 -15.024 1.00 0.00 H new ATOM 443 N ILE A 28 1.495 -1.280 -15.014 1.00 0.00 N ATOM 444 CA ILE A 28 1.126 -2.597 -15.506 1.00 0.00 C ATOM 445 C ILE A 28 -0.354 -2.596 -15.892 1.00 0.00 C ATOM 446 O ILE A 28 -1.185 -2.036 -15.178 1.00 0.00 O ATOM 447 CB ILE A 28 1.494 -3.672 -14.483 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.500 -3.136 -13.463 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.003 -4.938 -15.178 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.921 -3.150 -14.033 1.00 0.00 C ATOM 0 H ILE A 28 1.076 -1.026 -14.119 1.00 0.00 H new ATOM 0 HA ILE A 28 1.690 -2.840 -16.407 1.00 0.00 H new ATOM 0 HB ILE A 28 0.593 -3.945 -13.934 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.228 -2.119 -13.179 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.462 -3.741 -12.557 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.258 -5.687 -14.428 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.226 -5.331 -15.834 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.888 -4.699 -15.767 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.616 -2.764 -13.287 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.199 -4.171 -14.293 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.961 -2.525 -14.925 1.00 0.00 H new ATOM 462 N LEU A 29 -0.640 -3.232 -17.019 1.00 0.00 N ATOM 463 CA LEU A 29 -2.005 -3.311 -17.508 1.00 0.00 C ATOM 464 C LEU A 29 -2.266 -4.717 -18.051 1.00 0.00 C ATOM 465 O LEU A 29 -1.667 -5.124 -19.045 1.00 0.00 O ATOM 466 CB LEU A 29 -2.278 -2.199 -18.523 1.00 0.00 C ATOM 467 CG LEU A 29 -3.627 -1.488 -18.394 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.113 -0.982 -19.752 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.659 -2.390 -17.714 1.00 0.00 C ATOM 0 H LEU A 29 0.051 -3.697 -17.607 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.711 -3.146 -16.694 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.487 -1.454 -18.437 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.208 -2.623 -19.525 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.493 -0.615 -17.756 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.073 -0.481 -19.631 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.386 -0.280 -20.160 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.226 -1.824 -20.435 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.609 -1.861 -17.635 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.796 -3.296 -18.305 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.308 -2.657 -16.717 1.00 0.00 H new ATOM 481 N HIS A 30 -3.163 -5.422 -17.376 1.00 0.00 N ATOM 482 CA HIS A 30 -3.511 -6.773 -17.779 1.00 0.00 C ATOM 483 C HIS A 30 -2.384 -7.732 -17.388 1.00 0.00 C ATOM 484 O HIS A 30 -2.625 -8.748 -16.739 1.00 0.00 O ATOM 485 CB HIS A 30 -3.843 -6.826 -19.271 1.00 0.00 C ATOM 486 CG HIS A 30 -4.581 -8.076 -19.692 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.938 -9.185 -20.213 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.910 -8.379 -19.662 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.850 -10.109 -20.482 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.072 -9.607 -20.141 1.00 0.00 N ATOM 0 H HIS A 30 -3.659 -5.082 -16.552 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.411 -7.092 -17.254 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.446 -5.956 -19.530 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.917 -6.753 -19.842 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.698 -7.730 -19.309 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.659 -11.087 -20.898 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.963 -10.094 -20.238 1.00 0.00 H new ATOM 499 N TYR A 31 -1.176 -7.372 -17.800 1.00 0.00 N ATOM 500 CA TYR A 31 -0.011 -8.188 -17.501 1.00 0.00 C ATOM 501 C TYR A 31 1.235 -7.642 -18.203 1.00 0.00 C ATOM 502 O TYR A 31 2.313 -8.224 -18.103 1.00 0.00 O ATOM 503 CB TYR A 31 -0.319 -9.582 -18.049 1.00 0.00 C ATOM 504 CG TYR A 31 0.787 -10.165 -18.931 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.888 -10.762 -18.352 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.684 -10.091 -20.305 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.930 -11.309 -19.182 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.726 -10.639 -21.135 1.00 0.00 C ATOM 509 CZ TYR A 31 2.797 -11.221 -20.532 1.00 0.00 C ATOM 510 OH TYR A 31 3.781 -11.738 -21.317 1.00 0.00 O ATOM 0 H TYR A 31 -0.980 -6.528 -18.337 1.00 0.00 H new ATOM 0 HA TYR A 31 0.187 -8.195 -16.429 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.496 -10.258 -17.213 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.243 -9.538 -18.625 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.968 -10.819 -17.277 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.177 -9.623 -20.758 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.797 -11.778 -18.742 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.658 -10.589 -22.212 1.00 0.00 H new ATOM 0 HH TYR A 31 3.551 -11.604 -22.260 1.00 0.00 H new ATOM 520 N LYS A 32 1.043 -6.530 -18.897 1.00 0.00 N ATOM 521 CA LYS A 32 2.137 -5.900 -19.616 1.00 0.00 C ATOM 522 C LYS A 32 2.417 -4.523 -19.005 1.00 0.00 C ATOM 523 O LYS A 32 1.632 -4.027 -18.198 1.00 0.00 O ATOM 524 CB LYS A 32 1.840 -5.857 -21.115 1.00 0.00 C ATOM 525 CG LYS A 32 1.544 -7.257 -21.656 1.00 0.00 C ATOM 526 CD LYS A 32 0.107 -7.353 -22.172 1.00 0.00 C ATOM 527 CE LYS A 32 0.029 -8.248 -23.410 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.711 -7.566 -24.497 1.00 0.00 N ATOM 0 H LYS A 32 0.147 -6.049 -18.977 1.00 0.00 H new ATOM 0 HA LYS A 32 3.049 -6.488 -19.512 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.988 -5.203 -21.302 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.691 -5.431 -21.646 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.240 -7.494 -22.461 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.702 -7.995 -20.870 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.539 -7.751 -21.389 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.264 -6.357 -22.415 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.034 -8.499 -23.748 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.466 -9.186 -23.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.755 -8.187 -25.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.676 -7.348 -24.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.222 -6.683 -24.749 1.00 0.00 H new ATOM 542 N VAL A 33 3.538 -3.947 -19.413 1.00 0.00 N ATOM 543 CA VAL A 33 3.931 -2.639 -18.917 1.00 0.00 C ATOM 544 C VAL A 33 3.815 -1.614 -20.047 1.00 0.00 C ATOM 545 O VAL A 33 4.273 -1.859 -21.161 1.00 0.00 O ATOM 546 CB VAL A 33 5.335 -2.708 -18.313 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.311 -3.408 -16.952 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.308 -3.398 -19.269 1.00 0.00 C ATOM 0 H VAL A 33 4.187 -4.362 -20.082 1.00 0.00 H new ATOM 0 HA VAL A 33 3.264 -2.318 -18.117 1.00 0.00 H new ATOM 0 HB VAL A 33 5.686 -1.688 -18.158 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.321 -3.444 -16.544 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.664 -2.856 -16.270 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.931 -4.423 -17.071 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.299 -3.434 -18.816 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.963 -4.412 -19.469 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.357 -2.840 -20.204 1.00 0.00 H new ATOM 558 N TYR A 34 3.201 -0.486 -19.719 1.00 0.00 N ATOM 559 CA TYR A 34 3.019 0.578 -20.693 1.00 0.00 C ATOM 560 C TYR A 34 3.611 1.893 -20.184 1.00 0.00 C ATOM 561 O TYR A 34 3.779 2.078 -18.979 1.00 0.00 O ATOM 562 CB TYR A 34 1.508 0.743 -20.859 1.00 0.00 C ATOM 563 CG TYR A 34 0.755 -0.574 -21.064 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.717 -1.510 -20.050 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.115 -0.826 -22.259 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.011 -2.749 -20.241 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.592 -2.064 -22.450 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.610 -2.966 -21.431 1.00 0.00 C ATOM 569 OH TYR A 34 -1.278 -4.136 -21.612 1.00 0.00 O ATOM 0 H TYR A 34 2.823 -0.286 -18.793 1.00 0.00 H new ATOM 0 HA TYR A 34 3.518 0.331 -21.630 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.109 1.244 -19.977 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.316 1.396 -21.711 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.217 -1.312 -19.113 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.145 -0.093 -23.052 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.025 -3.490 -19.456 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.097 -2.273 -23.381 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.453 -4.551 -20.742 1.00 0.00 H new ATOM 579 N ASP A 35 3.913 2.773 -21.127 1.00 0.00 N ATOM 580 CA ASP A 35 4.482 4.067 -20.789 1.00 0.00 C ATOM 581 C ASP A 35 3.367 5.112 -20.734 1.00 0.00 C ATOM 582 O ASP A 35 3.022 5.712 -21.751 1.00 0.00 O ATOM 583 CB ASP A 35 5.497 4.514 -21.844 1.00 0.00 C ATOM 584 CG ASP A 35 6.950 4.556 -21.367 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.227 5.376 -20.464 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.751 3.768 -21.915 1.00 0.00 O ATOM 0 H ASP A 35 3.774 2.616 -22.125 1.00 0.00 H new ATOM 0 HA ASP A 35 4.980 3.974 -19.824 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.430 3.841 -22.699 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.218 5.507 -22.198 1.00 0.00 H new ATOM 591 N LEU A 36 2.834 5.298 -19.535 1.00 0.00 N ATOM 592 CA LEU A 36 1.764 6.261 -19.333 1.00 0.00 C ATOM 593 C LEU A 36 2.226 7.638 -19.813 1.00 0.00 C ATOM 594 O LEU A 36 1.410 8.461 -20.227 1.00 0.00 O ATOM 595 CB LEU A 36 1.296 6.243 -17.876 1.00 0.00 C ATOM 596 CG LEU A 36 0.747 4.910 -17.365 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.155 5.062 -15.962 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.262 4.316 -18.351 1.00 0.00 C ATOM 0 H LEU A 36 3.123 4.799 -18.694 1.00 0.00 H new ATOM 0 HA LEU A 36 0.891 5.992 -19.928 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.133 6.535 -17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.524 7.002 -17.754 1.00 0.00 H new ATOM 0 HG LEU A 36 1.576 4.207 -17.291 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.228 4.100 -15.623 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.929 5.407 -15.276 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.658 5.788 -15.987 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.636 3.369 -17.962 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.094 5.008 -18.482 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.224 4.147 -19.312 1.00 0.00 H new ATOM 610 N THR A 37 3.532 7.847 -19.742 1.00 0.00 N ATOM 611 CA THR A 37 4.112 9.111 -20.164 1.00 0.00 C ATOM 612 C THR A 37 3.415 9.621 -21.426 1.00 0.00 C ATOM 613 O THR A 37 3.374 10.827 -21.673 1.00 0.00 O ATOM 614 CB THR A 37 5.617 8.904 -20.344 1.00 0.00 C ATOM 615 OG1 THR A 37 6.093 8.655 -19.023 1.00 0.00 O ATOM 616 CG2 THR A 37 6.339 10.186 -20.766 1.00 0.00 C ATOM 0 H THR A 37 4.206 7.162 -19.399 1.00 0.00 H new ATOM 0 HA THR A 37 3.963 9.885 -19.411 1.00 0.00 H new ATOM 0 HB THR A 37 5.790 8.129 -21.090 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.453 9.012 -18.372 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.404 9.983 -20.880 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.933 10.537 -21.715 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.195 10.952 -20.004 1.00 0.00 H new ATOM 624 N LYS A 38 2.883 8.681 -22.193 1.00 0.00 N ATOM 625 CA LYS A 38 2.190 9.021 -23.423 1.00 0.00 C ATOM 626 C LYS A 38 0.710 9.267 -23.119 1.00 0.00 C ATOM 627 O LYS A 38 0.143 10.271 -23.549 1.00 0.00 O ATOM 628 CB LYS A 38 2.428 7.947 -24.488 1.00 0.00 C ATOM 629 CG LYS A 38 1.329 7.975 -25.551 1.00 0.00 C ATOM 630 CD LYS A 38 1.556 9.119 -26.542 1.00 0.00 C ATOM 631 CE LYS A 38 0.250 9.867 -26.825 1.00 0.00 C ATOM 632 NZ LYS A 38 0.507 11.059 -27.663 1.00 0.00 N ATOM 0 H LYS A 38 2.918 7.683 -21.986 1.00 0.00 H new ATOM 0 HA LYS A 38 2.589 9.946 -23.841 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.398 8.106 -24.959 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.459 6.964 -24.018 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.310 7.025 -26.085 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.357 8.091 -25.072 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.296 9.811 -26.141 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.962 8.723 -27.473 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.453 9.205 -27.330 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.214 10.168 -25.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.389 11.555 -27.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.161 11.697 -27.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.930 10.764 -28.566 1.00 0.00 H new ATOM 646 N PHE A 39 0.129 8.334 -22.380 1.00 0.00 N ATOM 647 CA PHE A 39 -1.273 8.438 -22.013 1.00 0.00 C ATOM 648 C PHE A 39 -1.484 9.515 -20.948 1.00 0.00 C ATOM 649 O PHE A 39 -2.619 9.858 -20.620 1.00 0.00 O ATOM 650 CB PHE A 39 -1.688 7.082 -21.437 1.00 0.00 C ATOM 651 CG PHE A 39 -1.088 5.883 -22.176 1.00 0.00 C ATOM 652 CD1 PHE A 39 -0.719 6.003 -23.480 1.00 0.00 C ATOM 653 CD2 PHE A 39 -0.921 4.700 -21.528 1.00 0.00 C ATOM 654 CE1 PHE A 39 -0.162 4.891 -24.166 1.00 0.00 C ATOM 655 CE2 PHE A 39 -0.363 3.587 -22.214 1.00 0.00 C ATOM 656 CZ PHE A 39 0.003 3.707 -23.518 1.00 0.00 C ATOM 0 H PHE A 39 0.603 7.503 -22.026 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.865 8.708 -22.887 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.390 7.037 -20.390 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.775 7.005 -21.463 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.850 6.944 -23.994 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.212 4.606 -20.492 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.130 4.986 -25.201 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.230 2.647 -21.700 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.425 2.861 -24.040 1.00 0.00 H new ATOM 666 N LEU A 40 -0.371 10.021 -20.435 1.00 0.00 N ATOM 667 CA LEU A 40 -0.418 11.054 -19.414 1.00 0.00 C ATOM 668 C LEU A 40 -1.400 12.146 -19.844 1.00 0.00 C ATOM 669 O LEU A 40 -2.444 12.326 -19.221 1.00 0.00 O ATOM 670 CB LEU A 40 0.988 11.573 -19.111 1.00 0.00 C ATOM 671 CG LEU A 40 1.767 10.815 -18.035 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.952 11.642 -17.530 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.845 10.379 -16.895 1.00 0.00 C ATOM 0 H LEU A 40 0.569 9.734 -20.708 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.789 10.645 -18.474 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.568 11.552 -20.034 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.910 12.617 -18.807 1.00 0.00 H new ATOM 0 HG LEU A 40 2.175 9.909 -18.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.489 11.080 -16.766 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.624 11.859 -18.360 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.588 12.577 -17.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.424 9.842 -16.144 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.387 11.258 -16.441 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.066 9.726 -17.287 1.00 0.00 H new ATOM 685 N GLU A 41 -1.026 12.847 -20.905 1.00 0.00 N ATOM 686 CA GLU A 41 -1.860 13.917 -21.425 1.00 0.00 C ATOM 687 C GLU A 41 -3.215 13.365 -21.874 1.00 0.00 C ATOM 688 O GLU A 41 -4.241 13.651 -21.258 1.00 0.00 O ATOM 689 CB GLU A 41 -1.159 14.649 -22.572 1.00 0.00 C ATOM 690 CG GLU A 41 -0.980 16.133 -22.246 1.00 0.00 C ATOM 691 CD GLU A 41 -0.393 16.889 -23.441 1.00 0.00 C ATOM 692 OE1 GLU A 41 -1.119 17.006 -24.450 1.00 0.00 O ATOM 693 OE2 GLU A 41 0.769 17.332 -23.316 1.00 0.00 O ATOM 0 H GLU A 41 -0.158 12.695 -21.418 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.031 14.639 -20.626 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.186 14.194 -22.758 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.742 14.542 -23.487 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.941 16.568 -21.972 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.323 16.243 -21.383 1.00 0.00 H new ATOM 700 N GLU A 42 -3.174 12.581 -22.941 1.00 0.00 N ATOM 701 CA GLU A 42 -4.386 11.986 -23.479 1.00 0.00 C ATOM 702 C GLU A 42 -5.134 11.224 -22.383 1.00 0.00 C ATOM 703 O GLU A 42 -4.795 10.082 -22.075 1.00 0.00 O ATOM 704 CB GLU A 42 -4.069 11.073 -24.664 1.00 0.00 C ATOM 705 CG GLU A 42 -4.934 11.427 -25.876 1.00 0.00 C ATOM 706 CD GLU A 42 -4.091 12.063 -26.983 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.035 11.474 -27.304 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.520 13.125 -27.484 1.00 0.00 O ATOM 0 H GLU A 42 -2.321 12.344 -23.448 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.031 12.786 -23.843 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.015 11.164 -24.926 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.239 10.034 -24.383 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.421 10.528 -26.255 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.724 12.115 -25.575 1.00 0.00 H new ATOM 715 N HIS A 43 -6.138 11.884 -21.825 1.00 0.00 N ATOM 716 CA HIS A 43 -6.935 11.284 -20.770 1.00 0.00 C ATOM 717 C HIS A 43 -7.992 12.283 -20.293 1.00 0.00 C ATOM 718 O HIS A 43 -7.679 13.440 -20.022 1.00 0.00 O ATOM 719 CB HIS A 43 -6.043 10.777 -19.636 1.00 0.00 C ATOM 720 CG HIS A 43 -6.387 9.386 -19.158 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.575 8.290 -19.392 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.463 8.925 -18.457 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.146 7.224 -18.853 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.317 7.619 -18.275 1.00 0.00 N ATOM 0 H HIS A 43 -6.418 12.830 -22.085 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.460 10.411 -21.158 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.006 10.789 -19.971 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.115 11.467 -18.795 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.687 8.302 -19.894 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.293 9.522 -18.109 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.754 6.218 -18.868 1.00 0.00 H new ATOM 733 N PRO A 44 -9.254 11.785 -20.204 1.00 0.00 N ATOM 734 CA PRO A 44 -10.359 12.619 -19.765 1.00 0.00 C ATOM 735 C PRO A 44 -10.306 12.849 -18.253 1.00 0.00 C ATOM 736 O PRO A 44 -11.207 13.460 -17.681 1.00 0.00 O ATOM 737 CB PRO A 44 -11.612 11.883 -20.210 1.00 0.00 C ATOM 738 CG PRO A 44 -11.181 10.447 -20.466 1.00 0.00 C ATOM 739 CD PRO A 44 -9.663 10.419 -20.519 1.00 0.00 C ATOM 0 HA PRO A 44 -10.327 13.619 -20.198 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.385 11.928 -19.443 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.030 12.332 -21.111 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.548 9.792 -19.676 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.603 10.083 -21.403 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.255 9.708 -19.800 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.307 10.117 -21.504 1.00 0.00 H new ATOM 747 N GLY A 45 -9.239 12.346 -17.648 1.00 0.00 N ATOM 748 CA GLY A 45 -9.057 12.488 -16.213 1.00 0.00 C ATOM 749 C GLY A 45 -7.860 13.390 -15.899 1.00 0.00 C ATOM 750 O GLY A 45 -7.999 14.391 -15.198 1.00 0.00 O ATOM 0 H GLY A 45 -8.493 11.840 -18.125 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.959 12.907 -15.768 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.906 11.507 -15.763 1.00 0.00 H new ATOM 754 N GLY A 46 -6.711 13.003 -16.435 1.00 0.00 N ATOM 755 CA GLY A 46 -5.492 13.762 -16.222 1.00 0.00 C ATOM 756 C GLY A 46 -4.286 12.834 -16.076 1.00 0.00 C ATOM 757 O GLY A 46 -4.434 11.671 -15.704 1.00 0.00 O ATOM 0 H GLY A 46 -6.600 12.173 -17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.332 14.442 -17.059 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.593 14.376 -15.327 1.00 0.00 H new ATOM 761 N GLU A 47 -3.118 13.382 -16.379 1.00 0.00 N ATOM 762 CA GLU A 47 -1.886 12.617 -16.288 1.00 0.00 C ATOM 763 C GLU A 47 -1.896 11.741 -15.032 1.00 0.00 C ATOM 764 O GLU A 47 -1.584 10.553 -15.097 1.00 0.00 O ATOM 765 CB GLU A 47 -0.664 13.539 -16.302 1.00 0.00 C ATOM 766 CG GLU A 47 -0.651 14.409 -17.560 1.00 0.00 C ATOM 767 CD GLU A 47 -1.100 15.838 -17.242 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.218 15.974 -16.701 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.314 16.761 -17.547 1.00 0.00 O ATOM 0 H GLU A 47 -2.999 14.347 -16.688 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.820 11.968 -17.161 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.672 14.174 -15.416 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.247 12.942 -16.258 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.353 14.425 -17.985 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.309 13.976 -18.313 1.00 0.00 H new ATOM 776 N GLU A 48 -2.259 12.362 -13.919 1.00 0.00 N ATOM 777 CA GLU A 48 -2.315 11.655 -12.652 1.00 0.00 C ATOM 778 C GLU A 48 -3.069 10.334 -12.814 1.00 0.00 C ATOM 779 O GLU A 48 -2.596 9.287 -12.373 1.00 0.00 O ATOM 780 CB GLU A 48 -2.956 12.523 -11.567 1.00 0.00 C ATOM 781 CG GLU A 48 -2.038 12.645 -10.349 1.00 0.00 C ATOM 782 CD GLU A 48 -2.801 13.191 -9.140 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.891 12.646 -8.863 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.277 14.144 -8.522 1.00 0.00 O ATOM 0 H GLU A 48 -2.517 13.348 -13.869 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.295 11.433 -12.337 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.168 13.514 -11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.910 12.090 -11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.617 11.669 -10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.202 13.304 -10.584 1.00 0.00 H new ATOM 791 N VAL A 49 -4.229 10.425 -13.447 1.00 0.00 N ATOM 792 CA VAL A 49 -5.053 9.250 -13.671 1.00 0.00 C ATOM 793 C VAL A 49 -4.153 8.057 -14.006 1.00 0.00 C ATOM 794 O VAL A 49 -4.500 6.915 -13.713 1.00 0.00 O ATOM 795 CB VAL A 49 -6.090 9.540 -14.759 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.460 9.469 -16.151 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.281 8.585 -14.648 1.00 0.00 C ATOM 0 H VAL A 49 -4.618 11.295 -13.812 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.609 8.995 -12.769 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.457 10.555 -14.609 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.219 9.679 -16.905 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.660 10.206 -16.226 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.052 8.472 -16.315 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.003 8.812 -15.432 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.935 7.557 -14.759 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.754 8.705 -13.673 1.00 0.00 H new ATOM 807 N LEU A 50 -3.019 8.367 -14.613 1.00 0.00 N ATOM 808 CA LEU A 50 -2.065 7.335 -14.989 1.00 0.00 C ATOM 809 C LEU A 50 -0.843 7.417 -14.073 1.00 0.00 C ATOM 810 O LEU A 50 -0.222 6.400 -13.769 1.00 0.00 O ATOM 811 CB LEU A 50 -1.727 7.435 -16.477 1.00 0.00 C ATOM 812 CG LEU A 50 -2.913 7.348 -17.442 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.846 8.460 -18.492 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.999 5.961 -18.080 1.00 0.00 C ATOM 0 H LEU A 50 -2.737 9.317 -14.855 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.500 6.345 -14.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.212 8.380 -16.650 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.024 6.639 -16.724 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.830 7.497 -16.873 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.699 8.377 -19.165 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.869 9.430 -17.996 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.922 8.366 -19.063 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.850 5.926 -18.761 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.082 5.758 -18.634 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.127 5.209 -17.301 1.00 0.00 H new ATOM 826 N ARG A 51 -0.533 8.637 -13.659 1.00 0.00 N ATOM 827 CA ARG A 51 0.604 8.865 -12.785 1.00 0.00 C ATOM 828 C ARG A 51 0.338 8.266 -11.403 1.00 0.00 C ATOM 829 O ARG A 51 1.230 7.669 -10.798 1.00 0.00 O ATOM 830 CB ARG A 51 0.894 10.359 -12.638 1.00 0.00 C ATOM 831 CG ARG A 51 2.401 10.627 -12.631 1.00 0.00 C ATOM 832 CD ARG A 51 2.898 10.930 -11.216 1.00 0.00 C ATOM 833 NE ARG A 51 4.263 11.500 -11.269 1.00 0.00 N ATOM 834 CZ ARG A 51 4.543 12.739 -11.695 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.555 13.545 -12.107 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.811 13.172 -11.709 1.00 0.00 N ATOM 0 H ARG A 51 -1.050 9.478 -13.913 1.00 0.00 H new ATOM 0 HA ARG A 51 1.471 8.381 -13.235 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.428 10.906 -13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.451 10.730 -11.714 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.930 9.761 -13.028 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.628 11.467 -13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.221 11.631 -10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.899 10.018 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 51 5.039 10.913 -10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.590 13.215 -12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.768 14.488 -12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.563 12.558 -11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.024 14.115 -12.033 1.00 0.00 H new ATOM 850 N GLU A 52 -0.891 8.445 -10.940 1.00 0.00 N ATOM 851 CA GLU A 52 -1.284 7.928 -9.640 1.00 0.00 C ATOM 852 C GLU A 52 -1.187 6.402 -9.623 1.00 0.00 C ATOM 853 O GLU A 52 -1.262 5.783 -8.562 1.00 0.00 O ATOM 854 CB GLU A 52 -2.694 8.393 -9.270 1.00 0.00 C ATOM 855 CG GLU A 52 -3.749 7.639 -10.080 1.00 0.00 C ATOM 856 CD GLU A 52 -5.160 7.995 -9.608 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.409 9.206 -9.423 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.960 7.048 -9.444 1.00 0.00 O ATOM 0 H GLU A 52 -1.627 8.941 -11.442 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.598 8.323 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.866 8.234 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.787 9.464 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.643 7.882 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.589 6.565 -9.982 1.00 0.00 H new ATOM 865 N GLN A 53 -1.023 5.837 -10.811 1.00 0.00 N ATOM 866 CA GLN A 53 -0.914 4.395 -10.945 1.00 0.00 C ATOM 867 C GLN A 53 0.513 4.004 -11.334 1.00 0.00 C ATOM 868 O GLN A 53 0.936 2.875 -11.096 1.00 0.00 O ATOM 869 CB GLN A 53 -1.925 3.863 -11.964 1.00 0.00 C ATOM 870 CG GLN A 53 -1.753 4.553 -13.319 1.00 0.00 C ATOM 871 CD GLN A 53 -2.786 4.045 -14.327 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.573 3.076 -15.039 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.913 4.750 -14.350 1.00 0.00 N ATOM 0 H GLN A 53 -0.963 6.353 -11.689 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.144 3.941 -9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.797 2.787 -12.081 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.938 4.025 -11.595 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.857 5.631 -13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.748 4.370 -13.699 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.027 5.550 -13.728 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.664 4.491 -14.990 1.00 0.00 H new ATOM 882 N ALA A 54 1.215 4.960 -11.924 1.00 0.00 N ATOM 883 CA ALA A 54 2.586 4.729 -12.348 1.00 0.00 C ATOM 884 C ALA A 54 3.416 4.272 -11.147 1.00 0.00 C ATOM 885 O ALA A 54 3.439 4.941 -10.113 1.00 0.00 O ATOM 886 CB ALA A 54 3.143 6.000 -12.992 1.00 0.00 C ATOM 0 H ALA A 54 0.860 5.896 -12.119 1.00 0.00 H new ATOM 0 HA ALA A 54 2.628 3.939 -13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.171 5.826 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.536 6.266 -13.857 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.120 6.815 -12.268 1.00 0.00 H new ATOM 892 N GLY A 55 4.076 3.137 -11.320 1.00 0.00 N ATOM 893 CA GLY A 55 4.904 2.583 -10.263 1.00 0.00 C ATOM 894 C GLY A 55 4.329 1.261 -9.752 1.00 0.00 C ATOM 895 O GLY A 55 4.633 0.838 -8.637 1.00 0.00 O ATOM 0 H GLY A 55 4.054 2.585 -12.178 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.916 2.424 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.975 3.295 -9.441 1.00 0.00 H new ATOM 899 N GLY A 56 3.509 0.644 -10.590 1.00 0.00 N ATOM 900 CA GLY A 56 2.889 -0.621 -10.237 1.00 0.00 C ATOM 901 C GLY A 56 1.763 -0.971 -11.212 1.00 0.00 C ATOM 902 O GLY A 56 1.529 -0.250 -12.181 1.00 0.00 O ATOM 0 H GLY A 56 3.260 0.998 -11.514 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.639 -1.412 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.493 -0.565 -9.223 1.00 0.00 H new ATOM 906 N ASP A 57 1.094 -2.077 -10.921 1.00 0.00 N ATOM 907 CA ASP A 57 -0.002 -2.531 -11.758 1.00 0.00 C ATOM 908 C ASP A 57 -1.213 -1.622 -11.543 1.00 0.00 C ATOM 909 O ASP A 57 -1.682 -1.462 -10.417 1.00 0.00 O ATOM 910 CB ASP A 57 -0.415 -3.961 -11.400 1.00 0.00 C ATOM 911 CG ASP A 57 -1.922 -4.219 -11.407 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.581 -3.715 -12.341 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.382 -4.916 -10.476 1.00 0.00 O ATOM 0 H ASP A 57 1.291 -2.672 -10.116 1.00 0.00 H new ATOM 0 HA ASP A 57 0.332 -2.502 -12.795 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.059 -4.647 -12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.025 -4.199 -10.410 1.00 0.00 H new ATOM 918 N ALA A 58 -1.685 -1.049 -12.640 1.00 0.00 N ATOM 919 CA ALA A 58 -2.833 -0.160 -12.587 1.00 0.00 C ATOM 920 C ALA A 58 -4.091 -0.932 -12.991 1.00 0.00 C ATOM 921 O ALA A 58 -5.205 -0.524 -12.665 1.00 0.00 O ATOM 922 CB ALA A 58 -2.581 1.056 -13.481 1.00 0.00 C ATOM 0 H ALA A 58 -1.293 -1.183 -13.572 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.985 0.209 -11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.443 1.722 -13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.695 1.587 -13.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.425 0.726 -14.508 1.00 0.00 H new ATOM 928 N THR A 59 -3.870 -2.031 -13.696 1.00 0.00 N ATOM 929 CA THR A 59 -4.972 -2.864 -14.148 1.00 0.00 C ATOM 930 C THR A 59 -5.960 -3.108 -13.006 1.00 0.00 C ATOM 931 O THR A 59 -7.166 -2.932 -13.175 1.00 0.00 O ATOM 932 CB THR A 59 -4.384 -4.152 -14.729 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.111 -4.351 -15.938 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.720 -5.381 -13.885 1.00 0.00 C ATOM 0 H THR A 59 -2.945 -2.364 -13.966 1.00 0.00 H new ATOM 0 HA THR A 59 -5.546 -2.369 -14.932 1.00 0.00 H new ATOM 0 HB THR A 59 -3.302 -4.053 -14.810 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.902 -3.772 -15.943 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.279 -6.267 -14.341 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.319 -5.253 -12.880 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.802 -5.501 -13.831 1.00 0.00 H new ATOM 942 N GLU A 60 -5.412 -3.511 -11.868 1.00 0.00 N ATOM 943 CA GLU A 60 -6.231 -3.781 -10.699 1.00 0.00 C ATOM 944 C GLU A 60 -7.291 -2.691 -10.529 1.00 0.00 C ATOM 945 O GLU A 60 -8.402 -2.965 -10.077 1.00 0.00 O ATOM 946 CB GLU A 60 -5.367 -3.906 -9.443 1.00 0.00 C ATOM 947 CG GLU A 60 -4.383 -2.738 -9.335 1.00 0.00 C ATOM 948 CD GLU A 60 -4.705 -1.860 -8.124 1.00 0.00 C ATOM 949 OE1 GLU A 60 -4.694 -2.412 -7.004 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.955 -0.655 -8.348 1.00 0.00 O ATOM 0 H GLU A 60 -4.412 -3.657 -11.731 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.739 -4.734 -10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.005 -3.931 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.818 -4.847 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.366 -3.121 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.423 -2.138 -10.244 1.00 0.00 H new ATOM 957 N ASN A 61 -6.912 -1.477 -10.902 1.00 0.00 N ATOM 958 CA ASN A 61 -7.817 -0.344 -10.797 1.00 0.00 C ATOM 959 C ASN A 61 -8.500 -0.117 -12.147 1.00 0.00 C ATOM 960 O ASN A 61 -9.724 -0.029 -12.219 1.00 0.00 O ATOM 961 CB ASN A 61 -7.059 0.933 -10.429 1.00 0.00 C ATOM 962 CG ASN A 61 -7.694 1.616 -9.217 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.142 1.650 -8.129 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.884 2.159 -9.464 1.00 0.00 N ATOM 0 H ASN A 61 -5.990 -1.253 -11.277 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.548 -0.566 -10.020 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.018 0.693 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.058 1.617 -11.278 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.390 2.639 -8.720 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.290 2.095 -10.398 1.00 0.00 H new ATOM 971 N PHE A 62 -7.679 -0.027 -13.182 1.00 0.00 N ATOM 972 CA PHE A 62 -8.188 0.189 -14.525 1.00 0.00 C ATOM 973 C PHE A 62 -9.343 -0.767 -14.835 1.00 0.00 C ATOM 974 O PHE A 62 -10.163 -0.493 -15.709 1.00 0.00 O ATOM 975 CB PHE A 62 -7.036 -0.094 -15.492 1.00 0.00 C ATOM 976 CG PHE A 62 -7.398 -1.053 -16.628 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.533 -2.383 -16.376 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.584 -0.577 -17.888 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.868 -3.274 -17.431 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.918 -1.469 -18.941 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.054 -2.798 -18.690 1.00 0.00 C ATOM 0 H PHE A 62 -6.664 -0.100 -13.118 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.559 1.209 -14.621 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.695 0.848 -15.921 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.199 -0.510 -14.932 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.386 -2.761 -15.375 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.478 0.479 -18.088 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.975 -4.330 -17.232 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.064 -1.091 -19.942 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.310 -3.476 -19.491 1.00 0.00 H new ATOM 991 N GLU A 63 -9.370 -1.869 -14.099 1.00 0.00 N ATOM 992 CA GLU A 63 -10.410 -2.867 -14.282 1.00 0.00 C ATOM 993 C GLU A 63 -11.727 -2.379 -13.675 1.00 0.00 C ATOM 994 O GLU A 63 -12.790 -2.552 -14.268 1.00 0.00 O ATOM 995 CB GLU A 63 -9.993 -4.211 -13.682 1.00 0.00 C ATOM 996 CG GLU A 63 -9.396 -5.127 -14.751 1.00 0.00 C ATOM 997 CD GLU A 63 -10.310 -6.324 -15.021 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.600 -7.048 -14.044 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.699 -6.488 -16.197 1.00 0.00 O ATOM 0 H GLU A 63 -8.688 -2.092 -13.374 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.559 -3.016 -15.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.263 -4.048 -12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.857 -4.694 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.245 -4.565 -15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.416 -5.479 -14.428 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.612 -1.778 -12.500 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.781 -1.265 -11.804 1.00 0.00 C ATOM 1008 C ASP A 64 -13.432 -0.171 -12.652 1.00 0.00 C ATOM 1009 O ASP A 64 -14.657 -0.057 -12.688 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.394 -0.650 -10.457 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.273 -1.073 -9.278 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.114 -2.233 -8.837 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.084 -0.227 -8.843 1.00 0.00 O ATOM 0 H ASP A 64 -10.728 -1.635 -12.012 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.467 -2.096 -11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.361 -0.918 -10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.430 0.436 -10.546 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.587 0.604 -13.315 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.066 1.683 -14.160 1.00 0.00 C ATOM 1020 C VAL A 65 -13.495 1.114 -15.513 1.00 0.00 C ATOM 1021 O VAL A 65 -13.900 1.859 -16.404 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.994 2.768 -14.281 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.605 2.203 -13.977 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.029 3.423 -15.664 1.00 0.00 C ATOM 0 H VAL A 65 -11.572 0.506 -13.284 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.941 2.157 -13.715 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.212 3.538 -13.541 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.862 2.995 -14.070 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.588 1.807 -12.962 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.375 1.404 -14.682 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.257 4.190 -15.723 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.849 2.668 -16.429 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.006 3.878 -15.826 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.393 -0.202 -15.625 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.766 -0.881 -16.854 1.00 0.00 C ATOM 1036 C GLY A 66 -13.483 0.000 -18.073 1.00 0.00 C ATOM 1037 O GLY A 66 -14.377 0.679 -18.575 1.00 0.00 O ATOM 0 H GLY A 66 -13.057 -0.817 -14.884 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.212 -1.816 -16.940 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.825 -1.139 -16.825 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.233 -0.040 -18.516 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.822 0.745 -19.666 1.00 0.00 C ATOM 1043 C HIS A 67 -12.428 0.149 -20.939 1.00 0.00 C ATOM 1044 O HIS A 67 -13.160 -0.839 -20.879 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.298 0.856 -19.731 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.713 1.860 -18.767 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.411 1.550 -17.454 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.378 3.171 -18.941 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.917 2.633 -16.871 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.898 3.636 -17.794 1.00 0.00 N ATOM 0 H HIS A 67 -11.493 -0.604 -18.098 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.199 1.763 -19.569 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.864 -0.123 -19.528 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.007 1.129 -20.745 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.546 0.642 -17.009 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.485 3.735 -19.856 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.588 2.708 -15.845 1.00 0.00 H new ATOM 1059 N SER A 68 -12.102 0.773 -22.060 1.00 0.00 N ATOM 1060 CA SER A 68 -12.605 0.317 -23.344 1.00 0.00 C ATOM 1061 C SER A 68 -11.499 -0.411 -24.111 1.00 0.00 C ATOM 1062 O SER A 68 -10.315 -0.184 -23.866 1.00 0.00 O ATOM 1063 CB SER A 68 -13.143 1.486 -24.173 1.00 0.00 C ATOM 1064 OG SER A 68 -12.119 2.113 -24.938 1.00 0.00 O ATOM 0 H SER A 68 -11.495 1.591 -22.106 1.00 0.00 H new ATOM 0 HA SER A 68 -13.428 -0.374 -23.162 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.926 1.127 -24.841 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.601 2.220 -23.510 1.00 0.00 H new ATOM 0 HG SER A 68 -11.852 2.950 -24.503 1.00 0.00 H new ATOM 1070 N THR A 69 -11.924 -1.273 -25.023 1.00 0.00 N ATOM 1071 CA THR A 69 -10.985 -2.036 -25.827 1.00 0.00 C ATOM 1072 C THR A 69 -10.044 -1.095 -26.584 1.00 0.00 C ATOM 1073 O THR A 69 -8.931 -1.481 -26.943 1.00 0.00 O ATOM 1074 CB THR A 69 -11.788 -2.958 -26.746 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.089 -4.086 -25.928 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.941 -3.538 -27.881 1.00 0.00 C ATOM 0 H THR A 69 -12.907 -1.460 -25.223 1.00 0.00 H new ATOM 0 HA THR A 69 -10.342 -2.656 -25.202 1.00 0.00 H new ATOM 0 HB THR A 69 -12.630 -2.407 -27.166 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.611 -4.735 -26.445 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.560 -4.185 -28.503 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.541 -2.726 -28.488 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.118 -4.117 -27.462 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.523 0.119 -26.804 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.739 1.117 -27.510 1.00 0.00 C ATOM 1086 C ASP A 70 -8.617 1.617 -26.598 1.00 0.00 C ATOM 1087 O ASP A 70 -7.466 1.718 -27.021 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.601 2.319 -27.903 1.00 0.00 C ATOM 1089 CG ASP A 70 -9.894 3.368 -28.763 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.830 3.145 -29.992 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -9.433 4.370 -28.174 1.00 0.00 O ATOM 0 H ASP A 70 -11.446 0.435 -26.505 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.336 0.653 -28.410 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.476 1.958 -28.443 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.963 2.800 -26.994 1.00 0.00 H new ATOM 1096 N ALA A 71 -8.992 1.919 -25.363 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.032 2.408 -24.388 1.00 0.00 C ATOM 1098 C ALA A 71 -6.899 1.389 -24.240 1.00 0.00 C ATOM 1099 O ALA A 71 -5.725 1.750 -24.293 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.745 2.682 -23.063 1.00 0.00 C ATOM 0 H ALA A 71 -9.947 1.834 -25.016 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.591 3.347 -24.721 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.025 3.049 -22.331 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.521 3.432 -23.216 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.198 1.761 -22.696 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.292 0.137 -24.058 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.326 -0.936 -23.902 1.00 0.00 C ATOM 1108 C ARG A 72 -5.427 -1.024 -25.137 1.00 0.00 C ATOM 1109 O ARG A 72 -4.216 -1.208 -25.016 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.023 -2.281 -23.690 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.086 -2.180 -22.593 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.826 -3.508 -22.424 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.281 -3.302 -22.601 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.217 -4.174 -22.204 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.856 -5.319 -21.607 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.515 -3.905 -22.406 1.00 0.00 N ATOM 0 H ARG A 72 -8.267 -0.158 -24.015 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.722 -0.712 -23.023 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.486 -2.606 -24.622 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.287 -3.038 -23.420 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.616 -1.899 -21.651 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.797 -1.392 -22.842 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.462 -4.232 -23.152 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.626 -3.922 -21.436 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.590 -2.442 -23.054 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.869 -5.526 -21.455 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.569 -5.983 -21.305 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.791 -3.035 -22.862 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.227 -4.570 -22.103 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.054 -0.890 -26.297 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.327 -0.951 -27.553 1.00 0.00 C ATOM 1132 C GLU A 73 -4.317 0.194 -27.639 1.00 0.00 C ATOM 1133 O GLU A 73 -3.159 -0.019 -27.995 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.286 -0.927 -28.744 1.00 0.00 C ATOM 1135 CG GLU A 73 -5.756 -1.786 -29.893 1.00 0.00 C ATOM 1136 CD GLU A 73 -6.289 -1.292 -31.239 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -5.753 -0.271 -31.722 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.221 -1.946 -31.755 1.00 0.00 O ATOM 0 H GLU A 73 -7.058 -0.739 -26.393 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.781 -1.894 -27.588 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.265 -1.292 -28.434 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.422 0.099 -29.085 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.666 -1.760 -29.898 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.050 -2.825 -29.741 1.00 0.00 H new ATOM 1145 N LEU A 74 -4.792 1.385 -27.306 1.00 0.00 N ATOM 1146 CA LEU A 74 -3.945 2.566 -27.340 1.00 0.00 C ATOM 1147 C LEU A 74 -2.700 2.320 -26.485 1.00 0.00 C ATOM 1148 O LEU A 74 -1.608 2.766 -26.832 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.739 3.807 -26.930 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.438 4.364 -25.536 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.408 5.493 -25.607 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.723 4.805 -24.833 1.00 0.00 C ATOM 0 H LEU A 74 -5.753 1.558 -27.011 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.601 2.759 -28.356 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.552 4.593 -27.662 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.801 3.569 -26.983 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.000 3.566 -24.937 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.212 5.871 -24.603 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.482 5.114 -26.039 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.795 6.300 -26.229 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.481 5.197 -23.845 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.212 5.582 -25.422 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.393 3.951 -24.731 1.00 0.00 H new ATOM 1164 N SER A 75 -2.907 1.613 -25.386 1.00 0.00 N ATOM 1165 CA SER A 75 -1.815 1.303 -24.478 1.00 0.00 C ATOM 1166 C SER A 75 -0.747 0.485 -25.205 1.00 0.00 C ATOM 1167 O SER A 75 0.448 0.713 -25.022 1.00 0.00 O ATOM 1168 CB SER A 75 -2.319 0.544 -23.249 1.00 0.00 C ATOM 1169 OG SER A 75 -3.739 0.573 -23.149 1.00 0.00 O ATOM 0 H SER A 75 -3.815 1.245 -25.102 1.00 0.00 H new ATOM 0 HA SER A 75 -1.377 2.241 -24.138 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.980 -0.491 -23.298 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.883 0.980 -22.350 1.00 0.00 H new ATOM 0 HG SER A 75 -4.075 1.422 -23.506 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.215 -0.452 -26.017 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.315 -1.306 -26.773 1.00 0.00 C ATOM 1177 C LYS A 76 0.478 -0.452 -27.765 1.00 0.00 C ATOM 1178 O LYS A 76 1.374 -0.953 -28.444 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.086 -2.453 -27.429 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.515 -2.082 -28.851 1.00 0.00 C ATOM 1181 CD LYS A 76 -0.611 -2.751 -29.887 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.248 -2.714 -31.277 1.00 0.00 C ATOM 1183 NZ LYS A 76 -0.831 -3.892 -32.071 1.00 0.00 N ATOM 0 H LYS A 76 -2.206 -0.638 -26.168 1.00 0.00 H new ATOM 0 HA LYS A 76 0.408 -1.779 -26.108 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.463 -3.347 -27.455 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.965 -2.694 -26.831 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.549 -2.387 -29.014 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.478 -1.000 -28.975 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.355 -2.246 -29.912 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.423 -3.785 -29.597 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.334 -2.696 -31.185 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.957 -1.799 -31.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.273 -3.851 -33.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.204 -3.892 -32.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.131 -4.762 -31.586 1.00 0.00 H new ATOM 1197 N THR A 77 0.120 0.823 -27.818 1.00 0.00 N ATOM 1198 CA THR A 77 0.786 1.751 -28.716 1.00 0.00 C ATOM 1199 C THR A 77 2.122 2.204 -28.119 1.00 0.00 C ATOM 1200 O THR A 77 3.115 2.324 -28.834 1.00 0.00 O ATOM 1201 CB THR A 77 -0.174 2.907 -28.999 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.205 3.364 -30.293 1.00 0.00 O ATOM 1203 CG2 THR A 77 0.074 4.112 -28.091 1.00 0.00 C ATOM 0 H THR A 77 -0.623 1.235 -27.253 1.00 0.00 H new ATOM 0 HA THR A 77 1.033 1.275 -29.665 1.00 0.00 H new ATOM 0 HB THR A 77 -1.201 2.564 -28.873 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.369 4.113 -30.556 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.635 4.903 -28.335 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.056 3.816 -27.050 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.090 4.477 -28.240 1.00 0.00 H new ATOM 1211 N PHE A 78 2.101 2.440 -26.817 1.00 0.00 N ATOM 1212 CA PHE A 78 3.297 2.877 -26.116 1.00 0.00 C ATOM 1213 C PHE A 78 3.804 1.789 -25.167 1.00 0.00 C ATOM 1214 O PHE A 78 4.605 2.064 -24.276 1.00 0.00 O ATOM 1215 CB PHE A 78 2.912 4.111 -25.298 1.00 0.00 C ATOM 1216 CG PHE A 78 3.672 5.380 -25.690 1.00 0.00 C ATOM 1217 CD1 PHE A 78 3.285 6.096 -26.780 1.00 0.00 C ATOM 1218 CD2 PHE A 78 4.735 5.792 -24.950 1.00 0.00 C ATOM 1219 CE1 PHE A 78 3.990 7.274 -27.144 1.00 0.00 C ATOM 1220 CE2 PHE A 78 5.441 6.969 -25.314 1.00 0.00 C ATOM 1221 CZ PHE A 78 5.053 7.685 -26.404 1.00 0.00 C ATOM 0 H PHE A 78 1.275 2.337 -26.228 1.00 0.00 H new ATOM 0 HA PHE A 78 4.089 3.095 -26.833 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.843 4.290 -25.412 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.090 3.905 -24.243 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.441 5.768 -27.369 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.043 5.224 -24.085 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.681 7.843 -28.009 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.286 7.296 -24.726 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.590 8.580 -26.681 1.00 0.00 H new ATOM 1231 N ILE A 79 3.316 0.579 -25.391 1.00 0.00 N ATOM 1232 CA ILE A 79 3.711 -0.553 -24.568 1.00 0.00 C ATOM 1233 C ILE A 79 5.236 -0.662 -24.556 1.00 0.00 C ATOM 1234 O ILE A 79 5.867 -0.704 -25.611 1.00 0.00 O ATOM 1235 CB ILE A 79 3.006 -1.826 -25.035 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.787 -2.132 -24.161 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.982 -3.003 -25.088 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.152 -3.467 -24.554 1.00 0.00 C ATOM 0 H ILE A 79 2.650 0.356 -26.131 1.00 0.00 H new ATOM 0 HA ILE A 79 3.395 -0.403 -23.536 1.00 0.00 H new ATOM 0 HB ILE A 79 2.641 -1.662 -26.049 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.085 -2.161 -23.113 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.053 -1.332 -24.262 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.456 -3.897 -25.423 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.790 -2.775 -25.784 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.397 -3.177 -24.095 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.288 -3.660 -23.918 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.833 -3.426 -25.596 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.881 -4.268 -24.429 1.00 0.00 H new ATOM 1250 N ILE A 80 5.785 -0.703 -23.351 1.00 0.00 N ATOM 1251 CA ILE A 80 7.226 -0.808 -23.188 1.00 0.00 C ATOM 1252 C ILE A 80 7.623 -2.283 -23.129 1.00 0.00 C ATOM 1253 O ILE A 80 8.661 -2.673 -23.663 1.00 0.00 O ATOM 1254 CB ILE A 80 7.687 0.003 -21.975 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.495 0.446 -21.125 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.557 1.187 -22.405 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.952 1.303 -19.943 1.00 0.00 C ATOM 0 H ILE A 80 5.259 -0.665 -22.478 1.00 0.00 H new ATOM 0 HA ILE A 80 7.739 -0.375 -24.047 1.00 0.00 H new ATOM 0 HB ILE A 80 8.306 -0.641 -21.350 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.796 1.012 -21.740 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.960 -0.430 -20.758 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.871 1.747 -21.524 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.436 0.819 -22.934 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.984 1.839 -23.064 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.085 1.604 -19.355 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.632 0.726 -19.317 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.465 2.190 -20.314 1.00 0.00 H new ATOM 1269 N GLY A 81 6.775 -3.066 -22.475 1.00 0.00 N ATOM 1270 CA GLY A 81 7.025 -4.489 -22.339 1.00 0.00 C ATOM 1271 C GLY A 81 5.918 -5.166 -21.529 1.00 0.00 C ATOM 1272 O GLY A 81 4.742 -4.836 -21.682 1.00 0.00 O ATOM 0 H GLY A 81 5.915 -2.740 -22.034 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.089 -4.946 -23.326 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.987 -4.648 -21.851 1.00 0.00 H new ATOM 1276 N GLU A 82 6.332 -6.098 -20.684 1.00 0.00 N ATOM 1277 CA GLU A 82 5.390 -6.824 -19.848 1.00 0.00 C ATOM 1278 C GLU A 82 6.052 -7.228 -18.530 1.00 0.00 C ATOM 1279 O GLU A 82 7.277 -7.216 -18.415 1.00 0.00 O ATOM 1280 CB GLU A 82 4.836 -8.047 -20.581 1.00 0.00 C ATOM 1281 CG GLU A 82 4.987 -7.893 -22.096 1.00 0.00 C ATOM 1282 CD GLU A 82 4.573 -9.175 -22.821 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.421 -10.092 -22.883 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.418 -9.209 -23.297 1.00 0.00 O ATOM 0 H GLU A 82 7.308 -6.368 -20.560 1.00 0.00 H new ATOM 0 HA GLU A 82 4.551 -6.165 -19.623 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.360 -8.943 -20.249 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.784 -8.181 -20.329 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.375 -7.061 -22.443 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.022 -7.651 -22.339 1.00 0.00 H new ATOM 1291 N LEU A 83 5.211 -7.578 -17.566 1.00 0.00 N ATOM 1292 CA LEU A 83 5.700 -7.985 -16.259 1.00 0.00 C ATOM 1293 C LEU A 83 6.281 -9.398 -16.355 1.00 0.00 C ATOM 1294 O LEU A 83 5.566 -10.347 -16.677 1.00 0.00 O ATOM 1295 CB LEU A 83 4.598 -7.843 -15.207 1.00 0.00 C ATOM 1296 CG LEU A 83 5.067 -7.738 -13.755 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.417 -8.432 -13.563 1.00 0.00 C ATOM 1298 CD2 LEU A 83 5.102 -6.279 -13.295 1.00 0.00 C ATOM 0 H LEU A 83 4.196 -7.588 -17.664 1.00 0.00 H new ATOM 0 HA LEU A 83 6.507 -7.329 -15.932 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.010 -6.956 -15.443 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.930 -8.700 -15.291 1.00 0.00 H new ATOM 0 HG LEU A 83 4.346 -8.258 -13.124 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.727 -8.342 -12.522 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.325 -9.486 -13.825 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.162 -7.963 -14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.439 -6.232 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.789 -5.715 -13.926 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.103 -5.849 -13.372 1.00 0.00 H new ATOM 1310 N HIS A 84 7.570 -9.493 -16.069 1.00 0.00 N ATOM 1311 CA HIS A 84 8.256 -10.774 -16.118 1.00 0.00 C ATOM 1312 C HIS A 84 7.692 -11.700 -15.039 1.00 0.00 C ATOM 1313 O HIS A 84 6.734 -11.347 -14.350 1.00 0.00 O ATOM 1314 CB HIS A 84 9.770 -10.586 -16.006 1.00 0.00 C ATOM 1315 CG HIS A 84 10.548 -11.156 -17.167 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.123 -11.673 -18.356 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 11.929 -11.240 -17.175 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.189 -12.051 -19.053 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.309 -11.783 -18.323 1.00 0.00 N flip ATOM 0 H HIS A 84 8.159 -8.704 -15.802 1.00 0.00 H new ATOM 0 HA HIS A 84 8.079 -11.248 -17.084 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.988 -9.521 -15.924 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.117 -11.055 -15.085 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.586 -10.918 -16.381 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.171 -12.497 -20.036 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.270 -11.968 -18.610 1.00 0.00 H new ATOM 1328 N PRO A 85 8.325 -12.897 -14.920 1.00 0.00 N ATOM 1329 CA PRO A 85 7.898 -13.876 -13.935 1.00 0.00 C ATOM 1330 C PRO A 85 8.336 -13.466 -12.527 1.00 0.00 C ATOM 1331 O PRO A 85 8.271 -14.266 -11.595 1.00 0.00 O ATOM 1332 CB PRO A 85 8.516 -15.188 -14.389 1.00 0.00 C ATOM 1333 CG PRO A 85 9.640 -14.810 -15.342 1.00 0.00 C ATOM 1334 CD PRO A 85 9.463 -13.349 -15.716 1.00 0.00 C ATOM 0 HA PRO A 85 6.813 -13.962 -13.873 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.898 -15.755 -13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.777 -15.817 -14.886 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.610 -14.968 -14.870 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.613 -15.438 -16.233 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.359 -12.771 -15.490 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.271 -13.234 -16.783 1.00 0.00 H new ATOM 1342 N ASP A 86 8.770 -12.219 -12.418 1.00 0.00 N ATOM 1343 CA ASP A 86 9.218 -11.692 -11.140 1.00 0.00 C ATOM 1344 C ASP A 86 8.000 -11.341 -10.283 1.00 0.00 C ATOM 1345 O ASP A 86 8.075 -11.358 -9.055 1.00 0.00 O ATOM 1346 CB ASP A 86 10.048 -10.419 -11.327 1.00 0.00 C ATOM 1347 CG ASP A 86 9.788 -9.320 -10.296 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.255 -9.497 -9.150 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.130 -8.329 -10.676 1.00 0.00 O ATOM 0 H ASP A 86 8.821 -11.558 -13.193 1.00 0.00 H new ATOM 0 HA ASP A 86 9.831 -12.454 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.105 -10.684 -11.294 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.851 -10.018 -12.321 1.00 0.00 H new ATOM 1354 N ASP A 87 6.908 -11.029 -10.964 1.00 0.00 N ATOM 1355 CA ASP A 87 5.676 -10.673 -10.281 1.00 0.00 C ATOM 1356 C ASP A 87 4.592 -10.368 -11.317 1.00 0.00 C ATOM 1357 O ASP A 87 3.968 -9.310 -11.274 1.00 0.00 O ATOM 1358 CB ASP A 87 5.866 -9.426 -9.415 1.00 0.00 C ATOM 1359 CG ASP A 87 6.406 -9.691 -8.008 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.626 -10.232 -7.194 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.585 -9.348 -7.778 1.00 0.00 O ATOM 0 H ASP A 87 6.850 -11.015 -11.982 1.00 0.00 H new ATOM 0 HA ASP A 87 5.388 -11.512 -9.647 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.547 -8.747 -9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.908 -8.912 -9.329 1.00 0.00 H new ATOM 1366 N ARG A 88 4.402 -11.316 -12.223 1.00 0.00 N ATOM 1367 CA ARG A 88 3.404 -11.162 -13.268 1.00 0.00 C ATOM 1368 C ARG A 88 2.091 -11.827 -12.850 1.00 0.00 C ATOM 1369 O ARG A 88 1.036 -11.196 -12.881 1.00 0.00 O ATOM 1370 CB ARG A 88 3.885 -11.781 -14.583 1.00 0.00 C ATOM 1371 CG ARG A 88 4.109 -13.286 -14.431 1.00 0.00 C ATOM 1372 CD ARG A 88 4.921 -13.841 -15.604 1.00 0.00 C ATOM 1373 NE ARG A 88 4.936 -15.321 -15.553 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.813 -16.085 -16.219 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.749 -15.516 -16.991 1.00 0.00 N ATOM 1376 NH2 ARG A 88 5.752 -17.419 -16.114 1.00 0.00 N ATOM 0 H ARG A 88 4.922 -12.193 -12.255 1.00 0.00 H new ATOM 0 HA ARG A 88 3.243 -10.095 -13.419 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.150 -11.597 -15.366 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.812 -11.302 -14.897 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.631 -13.487 -13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.148 -13.797 -14.376 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.489 -13.506 -16.547 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.940 -13.457 -15.566 1.00 0.00 H new ATOM 0 HE ARG A 88 4.236 -15.787 -14.976 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.795 -14.500 -17.072 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.416 -16.099 -17.497 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.039 -17.852 -15.528 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.419 -18.001 -16.620 1.00 0.00 H new ATOM 1390 N SER A 89 2.199 -13.091 -12.471 1.00 0.00 N ATOM 1391 CA SER A 89 1.033 -13.848 -12.047 1.00 0.00 C ATOM 1392 C SER A 89 0.607 -13.410 -10.644 1.00 0.00 C ATOM 1393 O SER A 89 -0.313 -13.985 -10.064 1.00 0.00 O ATOM 1394 CB SER A 89 1.312 -15.352 -12.073 1.00 0.00 C ATOM 1395 OG SER A 89 0.176 -16.113 -11.675 1.00 0.00 O ATOM 0 H SER A 89 3.076 -13.611 -12.448 1.00 0.00 H new ATOM 0 HA SER A 89 0.221 -13.646 -12.746 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.612 -15.648 -13.078 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.149 -15.577 -11.412 1.00 0.00 H new ATOM 0 HG SER A 89 -0.375 -15.582 -11.063 1.00 0.00 H new ATOM 1401 N LYS A 90 1.296 -12.397 -10.139 1.00 0.00 N ATOM 1402 CA LYS A 90 1.002 -11.878 -8.815 1.00 0.00 C ATOM 1403 C LYS A 90 0.223 -10.567 -8.949 1.00 0.00 C ATOM 1404 O LYS A 90 -0.147 -9.955 -7.947 1.00 0.00 O ATOM 1405 CB LYS A 90 2.285 -11.749 -7.992 1.00 0.00 C ATOM 1406 CG LYS A 90 2.523 -13.004 -7.149 1.00 0.00 C ATOM 1407 CD LYS A 90 3.861 -12.923 -6.412 1.00 0.00 C ATOM 1408 CE LYS A 90 3.678 -13.172 -4.913 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.863 -13.860 -4.353 1.00 0.00 N ATOM 0 H LYS A 90 2.057 -11.922 -10.624 1.00 0.00 H new ATOM 0 HA LYS A 90 0.368 -12.573 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.133 -11.587 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.218 -10.877 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.713 -13.122 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.510 -13.885 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.552 -13.658 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.308 -11.941 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.523 -12.224 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.786 -13.776 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.722 -14.021 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.993 -14.773 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.707 -13.270 -4.496 1.00 0.00 H new ATOM 1423 N ILE A 91 -0.005 -10.175 -10.194 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.732 -8.949 -10.471 1.00 0.00 C ATOM 1425 C ILE A 91 -1.615 -9.152 -11.703 1.00 0.00 C ATOM 1426 O ILE A 91 -2.781 -8.760 -11.708 1.00 0.00 O ATOM 1427 CB ILE A 91 0.234 -7.769 -10.595 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.684 -7.578 -12.044 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.420 -7.930 -9.643 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.679 -6.422 -12.163 1.00 0.00 C ATOM 0 H ILE A 91 0.301 -10.686 -11.022 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.394 -8.703 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.295 -6.862 -10.301 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.143 -8.496 -12.410 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.183 -7.382 -12.675 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.091 -7.078 -9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.058 -7.979 -8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.957 -8.848 -9.883 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.982 -6.309 -13.204 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.209 -5.501 -11.820 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.556 -6.632 -11.550 1.00 0.00 H new ATOM 1442 N THR A 92 -1.026 -9.765 -12.720 1.00 0.00 N ATOM 1443 CA THR A 92 -1.745 -10.027 -13.956 1.00 0.00 C ATOM 1444 C THR A 92 -3.249 -10.111 -13.690 1.00 0.00 C ATOM 1445 O THR A 92 -4.036 -9.416 -14.329 1.00 0.00 O ATOM 1446 CB THR A 92 -1.164 -11.297 -14.581 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.799 -11.377 -15.855 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.618 -12.566 -13.857 1.00 0.00 C ATOM 0 H THR A 92 -0.058 -10.088 -12.713 1.00 0.00 H new ATOM 0 HA THR A 92 -1.619 -9.212 -14.668 1.00 0.00 H new ATOM 0 HB THR A 92 -0.075 -11.243 -14.569 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.159 -10.498 -16.097 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.178 -13.438 -14.340 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.296 -12.526 -12.817 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.705 -12.639 -13.898 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.602 -10.972 -12.746 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.998 -11.158 -12.388 1.00 0.00 C ATOM 1458 C LYS A 93 -5.195 -10.788 -10.916 1.00 0.00 C ATOM 1459 O LYS A 93 -4.724 -11.494 -10.026 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.455 -12.576 -12.732 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.969 -12.628 -12.944 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.461 -14.074 -13.040 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.958 -14.124 -13.350 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.515 -15.450 -13.002 1.00 0.00 N ATOM 0 H LYS A 93 -2.946 -11.548 -12.219 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.634 -10.493 -12.973 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.946 -12.917 -13.633 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.173 -13.258 -11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.473 -12.123 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.231 -12.090 -13.855 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.907 -14.599 -13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.263 -14.592 -12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.478 -13.346 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.123 -13.920 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.532 -15.467 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.031 -16.186 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.374 -15.630 -11.987 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.913 -9.654 -10.699 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.179 -9.183 -9.351 1.00 0.00 C ATOM 1480 C PRO A 94 -7.256 -10.035 -8.675 1.00 0.00 C ATOM 1481 O PRO A 94 -7.666 -11.063 -9.210 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.589 -7.729 -9.516 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.986 -7.570 -10.974 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.488 -8.792 -11.728 1.00 0.00 C ATOM 0 HA PRO A 94 -5.311 -9.266 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.420 -7.480 -8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.767 -7.060 -9.260 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.068 -7.479 -11.067 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.552 -6.661 -11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.302 -9.292 -12.254 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.744 -8.519 -12.477 1.00 0.00 H new ATOM 1492 N SER A 95 -7.685 -9.573 -7.510 1.00 0.00 N ATOM 1493 CA SER A 95 -8.706 -10.281 -6.754 1.00 0.00 C ATOM 1494 C SER A 95 -9.314 -9.352 -5.701 1.00 0.00 C ATOM 1495 O SER A 95 -8.617 -8.896 -4.795 1.00 0.00 O ATOM 1496 CB SER A 95 -8.133 -11.533 -6.091 1.00 0.00 C ATOM 1497 OG SER A 95 -9.154 -12.367 -5.551 1.00 0.00 O ATOM 0 H SER A 95 -7.345 -8.718 -7.071 1.00 0.00 H new ATOM 0 HA SER A 95 -9.487 -10.597 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.553 -12.097 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.446 -11.240 -5.297 1.00 0.00 H new ATOM 0 HG SER A 95 -8.747 -13.157 -5.138 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.605 -9.101 -5.853 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.315 -8.235 -4.926 1.00 0.00 C ATOM 1505 C GLU A 96 -12.826 -8.389 -5.107 1.00 0.00 C ATOM 1506 O GLU A 96 -13.294 -8.733 -6.191 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.886 -6.777 -5.101 1.00 0.00 C ATOM 1508 CG GLU A 96 -10.731 -6.085 -3.745 1.00 0.00 C ATOM 1509 CD GLU A 96 -9.292 -5.612 -3.533 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -8.625 -5.350 -4.557 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -8.890 -5.523 -2.352 1.00 0.00 O ATOM 0 H GLU A 96 -11.179 -9.482 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.059 -8.535 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.942 -6.735 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.625 -6.246 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.410 -5.234 -3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.013 -6.772 -2.947 1.00 0.00 H new ATOM 1518 N SER A 97 -13.548 -8.129 -4.028 1.00 0.00 N ATOM 1519 CA SER A 97 -14.997 -8.233 -4.053 1.00 0.00 C ATOM 1520 C SER A 97 -15.626 -6.926 -3.566 1.00 0.00 C ATOM 1521 O SER A 97 -14.982 -6.148 -2.861 1.00 0.00 O ATOM 1522 CB SER A 97 -15.480 -9.405 -3.195 1.00 0.00 C ATOM 1523 OG SER A 97 -15.010 -9.314 -1.854 1.00 0.00 O ATOM 0 H SER A 97 -13.156 -7.846 -3.130 1.00 0.00 H new ATOM 0 HA SER A 97 -15.308 -8.417 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.570 -9.430 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.139 -10.342 -3.636 1.00 0.00 H new ATOM 0 HG SER A 97 -15.341 -10.079 -1.339 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.874 -6.724 -3.961 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.596 -5.524 -3.574 1.00 0.00 C ATOM 1531 C ILE A 98 -19.056 -5.882 -3.287 1.00 0.00 C ATOM 1532 O ILE A 98 -19.586 -6.838 -3.852 1.00 0.00 O ATOM 1533 CB ILE A 98 -17.427 -4.431 -4.632 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -17.763 -3.055 -4.058 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -18.251 -4.748 -5.882 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -16.663 -2.041 -4.382 1.00 0.00 C ATOM 0 H ILE A 98 -17.404 -7.371 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.182 -5.111 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 98 -16.380 -4.406 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -18.713 -2.709 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -17.888 -3.128 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -18.114 -3.956 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.921 -5.697 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -19.306 -4.816 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -16.928 -1.071 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -15.720 -2.378 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -16.557 -1.952 -5.463 1.00 0.00 H new ATOM 1548 N ILE A 99 -19.664 -5.096 -2.409 1.00 0.00 N ATOM 1549 CA ILE A 99 -21.051 -5.319 -2.042 1.00 0.00 C ATOM 1550 C ILE A 99 -21.806 -3.989 -2.088 1.00 0.00 C ATOM 1551 O ILE A 99 -21.192 -2.924 -2.145 1.00 0.00 O ATOM 1552 CB ILE A 99 -21.139 -6.029 -0.690 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -22.539 -6.603 -0.462 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.708 -5.101 0.447 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.543 -7.597 0.701 1.00 0.00 C ATOM 0 H ILE A 99 -19.221 -4.305 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 99 -21.533 -5.985 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 99 -20.444 -6.869 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -23.238 -5.793 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.885 -7.098 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.780 -5.631 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.678 -4.783 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -21.358 -4.227 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -23.550 -7.989 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -21.861 -8.418 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -22.220 -7.093 1.612 1.00 0.00 H new ATOM 1567 N THR A 100 -23.126 -4.093 -2.062 1.00 0.00 N ATOM 1568 CA THR A 100 -23.972 -2.912 -2.100 1.00 0.00 C ATOM 1569 C THR A 100 -24.944 -2.912 -0.919 1.00 0.00 C ATOM 1570 O THR A 100 -25.175 -3.952 -0.302 1.00 0.00 O ATOM 1571 CB THR A 100 -24.670 -2.875 -3.462 1.00 0.00 C ATOM 1572 OG1 THR A 100 -25.377 -1.636 -3.455 1.00 0.00 O ATOM 1573 CG2 THR A 100 -25.770 -3.931 -3.585 1.00 0.00 C ATOM 0 H THR A 100 -23.631 -4.978 -2.015 1.00 0.00 H new ATOM 0 HA THR A 100 -23.383 -2.001 -1.994 1.00 0.00 H new ATOM 0 HB THR A 100 -23.934 -3.024 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 100 -25.857 -1.529 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 100 -26.233 -3.861 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 100 -25.338 -4.923 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 100 -26.524 -3.762 -2.817 1.00 0.00 H new ATOM 1581 N THR A 101 -25.485 -1.736 -0.639 1.00 0.00 N ATOM 1582 CA THR A 101 -26.427 -1.589 0.459 1.00 0.00 C ATOM 1583 C THR A 101 -27.595 -0.694 0.041 1.00 0.00 C ATOM 1584 O THR A 101 -28.730 -1.156 -0.064 1.00 0.00 O ATOM 1585 CB THR A 101 -25.660 -1.060 1.672 1.00 0.00 C ATOM 1586 OG1 THR A 101 -24.967 -2.203 2.170 1.00 0.00 O ATOM 1587 CG2 THR A 101 -26.587 -0.655 2.820 1.00 0.00 C ATOM 0 H THR A 101 -25.290 -0.876 -1.152 1.00 0.00 H new ATOM 0 HA THR A 101 -26.872 -2.546 0.730 1.00 0.00 H new ATOM 0 HB THR A 101 -25.056 -0.203 1.374 1.00 0.00 H new ATOM 0 HG1 THR A 101 -24.442 -1.950 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 101 -25.992 -0.287 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 101 -27.263 0.130 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 101 -27.167 -1.520 3.141 1.00 0.00 H new ATOM 1595 N ILE A 102 -27.278 0.573 -0.184 1.00 0.00 N ATOM 1596 CA ILE A 102 -28.286 1.537 -0.587 1.00 0.00 C ATOM 1597 C ILE A 102 -27.605 2.850 -0.975 1.00 0.00 C ATOM 1598 O ILE A 102 -26.419 3.039 -0.712 1.00 0.00 O ATOM 1599 CB ILE A 102 -29.347 1.693 0.506 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -30.640 2.275 -0.064 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -28.809 2.523 1.673 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -31.865 1.607 0.565 1.00 0.00 C ATOM 0 H ILE A 102 -26.336 0.954 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 102 -28.820 1.183 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 102 -29.586 0.704 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -30.672 3.349 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -30.660 2.136 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -29.581 2.620 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -27.936 2.028 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -28.526 3.513 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -32.772 2.039 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -31.842 0.537 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -31.854 1.769 1.643 1.00 0.00 H new ATOM 1614 N ASP A 103 -28.385 3.725 -1.594 1.00 0.00 N ATOM 1615 CA ASP A 103 -27.871 5.015 -2.020 1.00 0.00 C ATOM 1616 C ASP A 103 -29.009 5.837 -2.631 1.00 0.00 C ATOM 1617 O ASP A 103 -29.933 5.280 -3.221 1.00 0.00 O ATOM 1618 CB ASP A 103 -26.785 4.851 -3.085 1.00 0.00 C ATOM 1619 CG ASP A 103 -27.202 4.044 -4.316 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -27.875 3.010 -4.114 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -26.837 4.478 -5.430 1.00 0.00 O ATOM 0 H ASP A 103 -29.369 3.565 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 103 -27.450 5.514 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -26.464 5.841 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -25.920 4.369 -2.629 1.00 0.00 H new ATOM 1626 N SER A 104 -28.905 7.147 -2.465 1.00 0.00 N ATOM 1627 CA SER A 104 -29.915 8.050 -2.991 1.00 0.00 C ATOM 1628 C SER A 104 -29.517 9.500 -2.708 1.00 0.00 C ATOM 1629 O SER A 104 -29.077 9.824 -1.605 1.00 0.00 O ATOM 1630 CB SER A 104 -31.289 7.749 -2.391 1.00 0.00 C ATOM 1631 OG SER A 104 -31.466 8.374 -1.123 1.00 0.00 O ATOM 0 H SER A 104 -28.137 7.605 -1.974 1.00 0.00 H new ATOM 0 HA SER A 104 -29.980 7.901 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 104 -32.066 8.090 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 104 -31.410 6.671 -2.284 1.00 0.00 H new ATOM 0 HG SER A 104 -32.356 8.159 -0.774 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.053 5.267 -17.733 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.576 7.146 -18.987 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.808 4.807 -20.907 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.645 3.200 -16.469 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.147 5.880 -14.552 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.603 5.851 -19.554 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.722 6.546 -19.906 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.841 6.617 -21.375 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.736 6.023 -21.927 1.00 0.00 C HETATM 1647 C4A HEM A 105 -7.962 5.558 -20.797 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.387 5.872 -23.407 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.017 7.205 -22.130 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.256 6.333 -21.996 1.00 0.00 C HETATM 1651 CGA HEM A 105 -11.924 4.859 -21.885 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.357 4.082 -22.757 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.266 4.456 -20.909 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.546 4.257 -18.505 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.145 4.186 -19.851 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.980 3.332 -20.009 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.696 2.827 -18.754 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.644 3.433 -17.846 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.304 2.987 -21.336 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.857 1.756 -18.370 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.552 1.488 -18.713 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.511 4.665 -15.912 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.505 3.765 -15.576 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.450 3.507 -14.120 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.449 4.273 -13.589 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.077 5.007 -14.694 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.464 2.528 -13.436 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.827 4.374 -12.242 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.887 4.456 -11.226 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.578 6.273 -16.924 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.862 6.469 -15.567 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.963 7.380 -15.390 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.322 7.765 -16.626 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.507 7.038 -17.592 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.627 7.790 -14.084 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.318 8.845 -16.971 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.690 8.249 -17.175 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.438 8.922 -18.302 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.871 9.004 -19.410 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.598 9.350 -18.087 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.304 5.812 -23.993 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.804 4.963 -23.552 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -7.804 6.733 -23.733 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.045 2.995 -22.135 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.854 1.996 -21.268 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.530 3.723 -21.552 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.221 1.717 -14.123 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.924 2.117 -12.537 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.552 3.060 -13.166 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.557 6.972 -13.367 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.676 8.023 -14.267 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.125 8.669 -13.681 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.055 0.603 -18.317 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.015 2.161 -19.381 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.211 4.534 -10.188 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.824 4.443 -11.465 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -12.902 6.492 -22.859 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.819 6.642 -21.115 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.758 7.312 -23.183 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.231 8.204 -21.751 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.265 8.339 -16.253 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.595 7.184 -17.388 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.002 9.365 -17.876 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.351 9.586 -16.173 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.372 7.756 -19.389 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.385 4.692 -21.894 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.904 2.517 -16.081 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.448 6.120 -13.543 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.315 1.030 -17.698 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.887 4.388 -11.987 1.00 0.00 H new