USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN : amide:sc= -7.72! C(o=-6.5!,f=-17!) USER MOD Set 1.2: A 88 TYR OH : rot 105:sc= 1.18 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.863 USER MOD Single : A 3 SER OG : rot 29:sc= 0.41! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.057 K(o=-0.057,f=-1.5!) USER MOD Single : A 11 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.02 K(o=-1,f=-0.11) USER MOD Single : A 23 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5.6!) USER MOD Single : A 28 THR OG1 : rot 28:sc= 0.645 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 43 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.28) USER MOD Single : A 46 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.4) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 144:sc= -0.988 (180deg=-3.25!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00969 K(o=-0.0097,f=-0.95) USER MOD Single : A 61 THR OG1 : rot -47:sc= 0.993 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 22:sc= 1.04 USER MOD Single : A 65 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.4) USER MOD Single : A 66 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.8) USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= 0.649 (180deg=0.266) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 76 SER OG : rot 34:sc= 0.814 USER MOD Single : A 81 ASN : amide:sc= -0.555 K(o=-0.56,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 100 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.1) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 66:sc= 0.634 USER MOD Single : A 106 SER OG : rot 41:sc= 0.344 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 111 THR OG1 : rot -91:sc= 2.1 USER MOD Single : A 112 THR OG1 : rot -119:sc= -0.174 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.119 26.404 9.354 1.00 0.00 N ATOM 2 CA GLY A 1 -27.421 26.405 10.773 1.00 0.00 C ATOM 3 C GLY A 1 -27.533 25.005 11.343 1.00 0.00 C ATOM 4 O GLY A 1 -28.602 24.396 11.306 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.053 27.384 9.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.213 25.919 9.192 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.874 25.908 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.642 26.950 11.307 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.356 26.939 10.942 1.00 0.00 H new ATOM 8 N SER A 2 -26.426 24.491 11.869 1.00 0.00 N ATOM 9 CA SER A 2 -26.403 23.151 12.444 1.00 0.00 C ATOM 10 C SER A 2 -25.449 23.086 13.633 1.00 0.00 C ATOM 11 O SER A 2 -24.235 23.218 13.477 1.00 0.00 O ATOM 12 CB SER A 2 -25.988 22.127 11.386 1.00 0.00 C ATOM 13 OG SER A 2 -24.636 22.310 11.002 1.00 0.00 O ATOM 0 H SER A 2 -25.533 24.982 11.909 1.00 0.00 H new ATOM 0 HA SER A 2 -27.408 22.915 12.794 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.125 21.119 11.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.633 22.220 10.512 1.00 0.00 H new ATOM 0 HG SER A 2 -24.119 22.631 11.770 1.00 0.00 H new ATOM 19 N SER A 3 -26.008 22.882 14.821 1.00 0.00 N ATOM 20 CA SER A 3 -25.209 22.803 16.039 1.00 0.00 C ATOM 21 C SER A 3 -25.184 21.378 16.581 1.00 0.00 C ATOM 22 O SER A 3 -26.229 20.785 16.848 1.00 0.00 O ATOM 23 CB SER A 3 -25.762 23.756 17.100 1.00 0.00 C ATOM 24 OG SER A 3 -26.999 23.287 17.611 1.00 0.00 O ATOM 0 H SER A 3 -27.011 22.768 14.967 1.00 0.00 H new ATOM 0 HA SER A 3 -24.188 23.097 15.794 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.043 23.856 17.913 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.896 24.748 16.668 1.00 0.00 H new ATOM 0 HG SER A 3 -27.026 22.309 17.556 1.00 0.00 H new ATOM 30 N GLY A 4 -23.982 20.833 16.742 1.00 0.00 N ATOM 31 CA GLY A 4 -23.843 19.481 17.252 1.00 0.00 C ATOM 32 C GLY A 4 -22.462 18.907 17.003 1.00 0.00 C ATOM 33 O GLY A 4 -21.464 19.624 17.067 1.00 0.00 O ATOM 0 H GLY A 4 -23.102 21.303 16.529 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.047 19.477 18.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.590 18.840 16.783 1.00 0.00 H new ATOM 37 N SER A 5 -22.404 17.610 16.720 1.00 0.00 N ATOM 38 CA SER A 5 -21.135 16.938 16.466 1.00 0.00 C ATOM 39 C SER A 5 -20.846 16.871 14.969 1.00 0.00 C ATOM 40 O SER A 5 -21.754 16.690 14.158 1.00 0.00 O ATOM 41 CB SER A 5 -21.152 15.528 17.058 1.00 0.00 C ATOM 42 OG SER A 5 -20.869 15.553 18.446 1.00 0.00 O ATOM 0 H SER A 5 -23.222 17.003 16.661 1.00 0.00 H new ATOM 0 HA SER A 5 -20.344 17.515 16.945 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.128 15.072 16.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.418 14.906 16.545 1.00 0.00 H new ATOM 0 HG SER A 5 -20.888 14.639 18.800 1.00 0.00 H new ATOM 48 N SER A 6 -19.574 17.018 14.611 1.00 0.00 N ATOM 49 CA SER A 6 -19.165 16.977 13.212 1.00 0.00 C ATOM 50 C SER A 6 -19.192 15.548 12.679 1.00 0.00 C ATOM 51 O SER A 6 -18.410 14.699 13.105 1.00 0.00 O ATOM 52 CB SER A 6 -17.762 17.566 13.053 1.00 0.00 C ATOM 53 OG SER A 6 -17.728 18.922 13.463 1.00 0.00 O ATOM 0 H SER A 6 -18.810 17.166 15.270 1.00 0.00 H new ATOM 0 HA SER A 6 -19.871 17.574 12.635 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.052 16.987 13.643 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.448 17.490 12.012 1.00 0.00 H new ATOM 0 HG SER A 6 -16.820 19.274 13.353 1.00 0.00 H new ATOM 59 N GLY A 7 -20.100 15.290 11.743 1.00 0.00 N ATOM 60 CA GLY A 7 -20.214 13.963 11.166 1.00 0.00 C ATOM 61 C GLY A 7 -21.516 13.767 10.414 1.00 0.00 C ATOM 62 O GLY A 7 -22.150 12.717 10.519 1.00 0.00 O ATOM 0 H GLY A 7 -20.759 15.976 11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.377 13.792 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.140 13.218 11.958 1.00 0.00 H new ATOM 66 N ARG A 8 -21.917 14.782 9.655 1.00 0.00 N ATOM 67 CA ARG A 8 -23.153 14.718 8.885 1.00 0.00 C ATOM 68 C ARG A 8 -22.869 14.354 7.430 1.00 0.00 C ATOM 69 O ARG A 8 -23.542 13.501 6.852 1.00 0.00 O ATOM 70 CB ARG A 8 -23.891 16.056 8.953 1.00 0.00 C ATOM 71 CG ARG A 8 -24.769 16.330 7.742 1.00 0.00 C ATOM 72 CD ARG A 8 -25.975 17.180 8.109 1.00 0.00 C ATOM 73 NE ARG A 8 -26.522 17.882 6.951 1.00 0.00 N ATOM 74 CZ ARG A 8 -27.788 18.274 6.861 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.632 18.035 7.855 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.212 18.907 5.774 1.00 0.00 N ATOM 0 H ARG A 8 -21.404 15.658 9.557 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.783 13.941 9.319 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.509 16.075 9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.161 16.859 9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.184 16.838 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.105 15.386 7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.746 16.546 8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.689 17.905 8.871 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.898 18.082 6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.310 17.549 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.604 18.337 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.566 19.093 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.184 19.208 5.706 1.00 0.00 H new ATOM 90 N GLN A 9 -21.870 15.008 6.847 1.00 0.00 N ATOM 91 CA GLN A 9 -21.499 14.755 5.459 1.00 0.00 C ATOM 92 C GLN A 9 -20.607 13.523 5.351 1.00 0.00 C ATOM 93 O GLN A 9 -19.944 13.310 4.336 1.00 0.00 O ATOM 94 CB GLN A 9 -20.783 15.971 4.870 1.00 0.00 C ATOM 95 CG GLN A 9 -20.703 15.954 3.352 1.00 0.00 C ATOM 96 CD GLN A 9 -20.311 17.299 2.773 1.00 0.00 C ATOM 97 OE1 GLN A 9 -20.484 18.337 3.412 1.00 0.00 O ATOM 98 NE2 GLN A 9 -19.779 17.288 1.557 1.00 0.00 N ATOM 0 H GLN A 9 -21.303 15.716 7.313 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.412 14.571 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.300 16.876 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.774 16.021 5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.978 15.203 3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.669 15.655 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.654 16.404 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.495 18.163 1.116 1.00 0.00 H new ATOM 107 N VAL A 10 -20.594 12.713 6.406 1.00 0.00 N ATOM 108 CA VAL A 10 -19.783 11.502 6.429 1.00 0.00 C ATOM 109 C VAL A 10 -20.271 10.493 5.395 1.00 0.00 C ATOM 110 O VAL A 10 -19.474 9.900 4.669 1.00 0.00 O ATOM 111 CB VAL A 10 -19.800 10.842 7.821 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.190 10.317 8.146 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.769 9.726 7.894 1.00 0.00 C ATOM 0 H VAL A 10 -21.136 12.874 7.255 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.763 11.800 6.188 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.539 11.595 8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.183 9.854 9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.902 11.142 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.483 9.578 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.795 9.271 8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.996 8.971 7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.776 10.135 7.709 1.00 0.00 H new ATOM 123 N GLN A 11 -21.585 10.306 5.334 1.00 0.00 N ATOM 124 CA GLN A 11 -22.180 9.369 4.388 1.00 0.00 C ATOM 125 C GLN A 11 -22.172 9.943 2.975 1.00 0.00 C ATOM 126 O GLN A 11 -22.580 9.280 2.022 1.00 0.00 O ATOM 127 CB GLN A 11 -23.612 9.030 4.805 1.00 0.00 C ATOM 128 CG GLN A 11 -23.692 8.021 5.940 1.00 0.00 C ATOM 129 CD GLN A 11 -25.067 7.968 6.577 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.826 8.937 6.525 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.395 6.833 7.183 1.00 0.00 N ATOM 0 H GLN A 11 -22.258 10.790 5.928 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.582 8.458 4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.120 9.946 5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.150 8.637 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.433 7.032 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.953 8.275 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.735 6.056 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.307 6.738 7.630 1.00 0.00 H new ATOM 140 N LYS A 12 -21.704 11.181 2.847 1.00 0.00 N ATOM 141 CA LYS A 12 -21.642 11.845 1.551 1.00 0.00 C ATOM 142 C LYS A 12 -20.239 11.753 0.960 1.00 0.00 C ATOM 143 O LYS A 12 -20.060 11.296 -0.169 1.00 0.00 O ATOM 144 CB LYS A 12 -22.054 13.313 1.687 1.00 0.00 C ATOM 145 CG LYS A 12 -22.187 14.033 0.356 1.00 0.00 C ATOM 146 CD LYS A 12 -23.580 13.871 -0.229 1.00 0.00 C ATOM 147 CE LYS A 12 -24.511 14.981 0.236 1.00 0.00 C ATOM 148 NZ LYS A 12 -25.924 14.719 -0.154 1.00 0.00 N ATOM 0 H LYS A 12 -21.362 11.744 3.626 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.335 11.340 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.005 13.367 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.318 13.833 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.969 15.092 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.449 13.643 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.522 13.875 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.989 12.904 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.446 15.080 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -24.186 15.930 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -26.527 15.498 0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -25.991 14.650 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.242 13.826 0.274 1.00 0.00 H new ATOM 162 N GLU A 13 -19.247 12.189 1.730 1.00 0.00 N ATOM 163 CA GLU A 13 -17.860 12.154 1.281 1.00 0.00 C ATOM 164 C GLU A 13 -17.326 10.724 1.274 1.00 0.00 C ATOM 165 O GLU A 13 -16.739 10.274 0.289 1.00 0.00 O ATOM 166 CB GLU A 13 -16.987 13.032 2.181 1.00 0.00 C ATOM 167 CG GLU A 13 -15.503 12.718 2.082 1.00 0.00 C ATOM 168 CD GLU A 13 -14.915 13.099 0.738 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.514 12.738 -0.297 1.00 0.00 O ATOM 170 OE2 GLU A 13 -13.854 13.758 0.720 1.00 0.00 O ATOM 0 H GLU A 13 -19.378 12.570 2.667 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.825 12.542 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.147 14.078 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.308 12.909 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.970 13.248 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.349 11.653 2.253 1.00 0.00 H new ATOM 177 N LEU A 14 -17.532 10.017 2.379 1.00 0.00 N ATOM 178 CA LEU A 14 -17.072 8.638 2.502 1.00 0.00 C ATOM 179 C LEU A 14 -17.093 7.934 1.149 1.00 0.00 C ATOM 180 O LEU A 14 -16.080 7.400 0.700 1.00 0.00 O ATOM 181 CB LEU A 14 -17.945 7.875 3.500 1.00 0.00 C ATOM 182 CG LEU A 14 -17.851 6.350 3.445 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.718 5.853 4.329 1.00 0.00 C ATOM 184 CD2 LEU A 14 -19.171 5.719 3.861 1.00 0.00 C ATOM 0 H LEU A 14 -18.015 10.376 3.203 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.045 8.655 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.680 8.199 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.984 8.161 3.336 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.639 6.055 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.666 4.765 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.775 6.278 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.899 6.159 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.086 4.633 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.414 6.022 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.961 6.049 3.186 1.00 0.00 H new ATOM 196 N GLY A 15 -18.255 7.940 0.502 1.00 0.00 N ATOM 197 CA GLY A 15 -18.385 7.301 -0.795 1.00 0.00 C ATOM 198 C GLY A 15 -17.848 8.161 -1.922 1.00 0.00 C ATOM 199 O GLY A 15 -17.225 7.655 -2.855 1.00 0.00 O ATOM 0 H GLY A 15 -19.108 8.376 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.853 6.350 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.435 7.076 -0.982 1.00 0.00 H new ATOM 203 N ASP A 16 -18.091 9.465 -1.836 1.00 0.00 N ATOM 204 CA ASP A 16 -17.628 10.397 -2.857 1.00 0.00 C ATOM 205 C ASP A 16 -16.144 10.194 -3.146 1.00 0.00 C ATOM 206 O ASP A 16 -15.760 9.841 -4.261 1.00 0.00 O ATOM 207 CB ASP A 16 -17.881 11.839 -2.414 1.00 0.00 C ATOM 208 CG ASP A 16 -17.871 12.812 -3.576 1.00 0.00 C ATOM 209 OD1 ASP A 16 -17.015 12.658 -4.471 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.720 13.729 -3.591 1.00 0.00 O ATOM 0 H ASP A 16 -18.606 9.900 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.188 10.202 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.843 11.896 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.120 12.133 -1.691 1.00 0.00 H new ATOM 215 N VAL A 17 -15.313 10.421 -2.133 1.00 0.00 N ATOM 216 CA VAL A 17 -13.871 10.263 -2.278 1.00 0.00 C ATOM 217 C VAL A 17 -13.527 8.936 -2.946 1.00 0.00 C ATOM 218 O VAL A 17 -14.059 7.888 -2.579 1.00 0.00 O ATOM 219 CB VAL A 17 -13.158 10.337 -0.914 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.680 9.256 0.021 1.00 0.00 C ATOM 221 CG2 VAL A 17 -11.652 10.218 -1.093 1.00 0.00 C ATOM 0 H VAL A 17 -15.614 10.715 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.525 11.084 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.371 11.307 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.165 9.324 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.750 9.393 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.499 8.276 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.164 10.272 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.416 9.264 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.295 11.032 -1.723 1.00 0.00 H new ATOM 231 N LEU A 18 -12.635 8.989 -3.929 1.00 0.00 N ATOM 232 CA LEU A 18 -12.219 7.791 -4.649 1.00 0.00 C ATOM 233 C LEU A 18 -10.748 7.481 -4.388 1.00 0.00 C ATOM 234 O LEU A 18 -9.870 8.290 -4.687 1.00 0.00 O ATOM 235 CB LEU A 18 -12.456 7.967 -6.150 1.00 0.00 C ATOM 236 CG LEU A 18 -12.783 6.694 -6.932 1.00 0.00 C ATOM 237 CD1 LEU A 18 -11.575 5.770 -6.977 1.00 0.00 C ATOM 238 CD2 LEU A 18 -13.979 5.982 -6.317 1.00 0.00 C ATOM 0 H LEU A 18 -12.186 9.849 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.817 6.954 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.274 8.674 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.566 8.420 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.039 6.974 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.826 4.870 -7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.744 6.281 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.288 5.497 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.197 5.079 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.752 5.714 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.846 6.642 -6.338 1.00 0.00 H new ATOM 250 N VAL A 19 -10.487 6.303 -3.829 1.00 0.00 N ATOM 251 CA VAL A 19 -9.123 5.885 -3.530 1.00 0.00 C ATOM 252 C VAL A 19 -8.469 5.236 -4.745 1.00 0.00 C ATOM 253 O VAL A 19 -9.065 4.384 -5.403 1.00 0.00 O ATOM 254 CB VAL A 19 -9.086 4.895 -2.351 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.649 4.555 -1.984 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.830 5.465 -1.153 1.00 0.00 C ATOM 0 H VAL A 19 -11.202 5.622 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.568 6.783 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.585 3.975 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.643 3.854 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.152 4.102 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.121 5.465 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.794 4.752 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.362 6.400 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.869 5.652 -1.425 1.00 0.00 H new ATOM 266 N ARG A 20 -7.238 5.646 -5.036 1.00 0.00 N ATOM 267 CA ARG A 20 -6.503 5.105 -6.173 1.00 0.00 C ATOM 268 C ARG A 20 -5.299 4.293 -5.704 1.00 0.00 C ATOM 269 O ARG A 20 -4.299 4.850 -5.249 1.00 0.00 O ATOM 270 CB ARG A 20 -6.041 6.236 -7.093 1.00 0.00 C ATOM 271 CG ARG A 20 -5.080 5.783 -8.181 1.00 0.00 C ATOM 272 CD ARG A 20 -5.757 4.842 -9.165 1.00 0.00 C ATOM 273 NE ARG A 20 -4.798 4.215 -10.071 1.00 0.00 N ATOM 274 CZ ARG A 20 -4.325 4.805 -11.163 1.00 0.00 C ATOM 275 NH1 ARG A 20 -4.719 6.030 -11.482 1.00 0.00 N ATOM 276 NH2 ARG A 20 -3.454 4.170 -11.937 1.00 0.00 N ATOM 0 H ARG A 20 -6.730 6.350 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.172 4.446 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.914 6.694 -7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.559 7.007 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.695 6.653 -8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.224 5.283 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.295 4.070 -8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.496 5.395 -9.745 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.474 3.273 -9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.387 6.522 -10.888 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.354 6.481 -12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.147 3.228 -11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.091 4.624 -12.775 1.00 0.00 H new ATOM 290 N LEU A 21 -5.402 2.973 -5.818 1.00 0.00 N ATOM 291 CA LEU A 21 -4.322 2.083 -5.406 1.00 0.00 C ATOM 292 C LEU A 21 -3.396 1.772 -6.577 1.00 0.00 C ATOM 293 O LEU A 21 -3.714 0.945 -7.432 1.00 0.00 O ATOM 294 CB LEU A 21 -4.895 0.784 -4.836 1.00 0.00 C ATOM 295 CG LEU A 21 -4.003 0.036 -3.844 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.700 0.907 -2.636 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.662 -1.267 -3.413 1.00 0.00 C ATOM 0 H LEU A 21 -6.222 2.496 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.743 2.588 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.840 1.012 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.122 0.115 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.061 -0.202 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.064 0.358 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.186 1.812 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.632 1.177 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.014 -1.787 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.618 -1.051 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.827 -1.898 -4.287 1.00 0.00 H new ATOM 309 N HIS A 22 -2.246 2.439 -6.608 1.00 0.00 N ATOM 310 CA HIS A 22 -1.271 2.233 -7.673 1.00 0.00 C ATOM 311 C HIS A 22 -0.849 0.768 -7.747 1.00 0.00 C ATOM 312 O HIS A 22 -1.265 0.037 -8.645 1.00 0.00 O ATOM 313 CB HIS A 22 -0.045 3.118 -7.450 1.00 0.00 C ATOM 314 CG HIS A 22 -0.367 4.578 -7.369 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.043 5.493 -8.315 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.066 5.281 -6.447 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.388 6.696 -7.978 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.065 6.594 -6.849 1.00 0.00 N ATOM 0 H HIS A 22 -1.967 3.126 -5.908 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.739 2.507 -8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.451 2.812 -6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.663 2.955 -8.262 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.593 5.275 -9.146 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.537 4.883 -5.560 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.216 7.607 -8.532 1.00 0.00 H new ATOM 327 N ASN A 23 -0.021 0.347 -6.796 1.00 0.00 N ATOM 328 CA ASN A 23 0.458 -1.029 -6.754 1.00 0.00 C ATOM 329 C ASN A 23 1.257 -1.289 -5.481 1.00 0.00 C ATOM 330 O ASN A 23 2.099 -0.488 -5.073 1.00 0.00 O ATOM 331 CB ASN A 23 1.322 -1.329 -7.981 1.00 0.00 C ATOM 332 CG ASN A 23 2.027 -2.667 -7.879 1.00 0.00 C ATOM 333 OD1 ASN A 23 2.757 -2.925 -6.922 1.00 0.00 O ATOM 334 ND2 ASN A 23 1.812 -3.526 -8.869 1.00 0.00 N ATOM 0 H ASN A 23 0.332 0.939 -6.044 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.410 -1.689 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.697 -1.318 -8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.063 -0.539 -8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.260 -4.442 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.199 -3.269 -9.643 1.00 0.00 H new ATOM 341 N PRO A 24 0.989 -2.435 -4.837 1.00 0.00 N ATOM 342 CA PRO A 24 1.673 -2.827 -3.601 1.00 0.00 C ATOM 343 C PRO A 24 3.136 -3.188 -3.838 1.00 0.00 C ATOM 344 O PRO A 24 3.489 -4.364 -3.929 1.00 0.00 O ATOM 345 CB PRO A 24 0.888 -4.056 -3.136 1.00 0.00 C ATOM 346 CG PRO A 24 0.288 -4.615 -4.380 1.00 0.00 C ATOM 347 CD PRO A 24 -0.002 -3.436 -5.267 1.00 0.00 C ATOM 0 HA PRO A 24 1.694 -2.017 -2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.540 -4.782 -2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.119 -3.784 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.974 -5.309 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.624 -5.170 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.113 -3.688 -6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.022 -3.075 -5.135 1.00 0.00 H new ATOM 355 N VAL A 25 3.983 -2.168 -3.936 1.00 0.00 N ATOM 356 CA VAL A 25 5.409 -2.378 -4.160 1.00 0.00 C ATOM 357 C VAL A 25 5.966 -3.430 -3.207 1.00 0.00 C ATOM 358 O VAL A 25 6.140 -3.174 -2.016 1.00 0.00 O ATOM 359 CB VAL A 25 6.203 -1.070 -3.984 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.687 -1.311 -4.214 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.676 0.003 -4.925 1.00 0.00 C ATOM 0 H VAL A 25 3.707 -1.189 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 25 5.520 -2.727 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 25 6.071 -0.720 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.232 -0.376 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.052 -2.045 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.842 -1.685 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.248 0.920 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.776 -0.336 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.625 0.194 -4.707 1.00 0.00 H new ATOM 371 N VAL A 26 6.244 -4.616 -3.741 1.00 0.00 N ATOM 372 CA VAL A 26 6.783 -5.707 -2.939 1.00 0.00 C ATOM 373 C VAL A 26 8.269 -5.505 -2.664 1.00 0.00 C ATOM 374 O VAL A 26 9.107 -5.701 -3.546 1.00 0.00 O ATOM 375 CB VAL A 26 6.581 -7.067 -3.633 1.00 0.00 C ATOM 376 CG1 VAL A 26 6.953 -6.976 -5.105 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.393 -8.147 -2.936 1.00 0.00 C ATOM 0 H VAL A 26 6.105 -4.845 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 26 6.238 -5.705 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 26 5.527 -7.336 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.804 -7.946 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.323 -6.233 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.999 -6.684 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.238 -9.101 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.451 -7.886 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.073 -8.229 -1.897 1.00 0.00 H new ATOM 387 N LEU A 27 8.590 -5.114 -1.436 1.00 0.00 N ATOM 388 CA LEU A 27 9.976 -4.885 -1.044 1.00 0.00 C ATOM 389 C LEU A 27 10.652 -6.194 -0.646 1.00 0.00 C ATOM 390 O LEU A 27 11.632 -6.612 -1.264 1.00 0.00 O ATOM 391 CB LEU A 27 10.042 -3.891 0.117 1.00 0.00 C ATOM 392 CG LEU A 27 9.374 -2.536 -0.121 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.230 -1.775 1.187 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.168 -1.720 -1.131 1.00 0.00 C ATOM 0 H LEU A 27 7.909 -4.949 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 27 10.506 -4.469 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.581 -4.352 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.090 -3.719 0.363 1.00 0.00 H new ATOM 0 HG LEU A 27 8.378 -2.710 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.753 -0.813 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.618 -2.354 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.215 -1.611 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.678 -0.759 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.177 -1.555 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.218 -2.260 -2.076 1.00 0.00 H new ATOM 406 N THR A 28 10.121 -6.838 0.389 1.00 0.00 N ATOM 407 CA THR A 28 10.672 -8.099 0.868 1.00 0.00 C ATOM 408 C THR A 28 9.597 -9.178 0.935 1.00 0.00 C ATOM 409 O THR A 28 8.400 -8.894 0.980 1.00 0.00 O ATOM 410 CB THR A 28 11.310 -7.940 2.261 1.00 0.00 C ATOM 411 OG1 THR A 28 10.591 -6.961 3.021 1.00 0.00 O ATOM 412 CG2 THR A 28 12.769 -7.526 2.144 1.00 0.00 C ATOM 0 H THR A 28 9.310 -6.507 0.911 1.00 0.00 H new ATOM 0 HA THR A 28 11.441 -8.399 0.156 1.00 0.00 H new ATOM 0 HB THR A 28 11.261 -8.903 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.657 -6.938 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.198 -7.420 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.320 -8.287 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.836 -6.574 1.617 1.00 0.00 H new ATOM 420 N PRO A 29 10.032 -10.447 0.941 1.00 0.00 N ATOM 421 CA PRO A 29 9.122 -11.595 1.003 1.00 0.00 C ATOM 422 C PRO A 29 8.437 -11.719 2.359 1.00 0.00 C ATOM 423 O PRO A 29 7.674 -12.656 2.598 1.00 0.00 O ATOM 424 CB PRO A 29 10.044 -12.792 0.757 1.00 0.00 C ATOM 425 CG PRO A 29 11.390 -12.330 1.197 1.00 0.00 C ATOM 426 CD PRO A 29 11.444 -10.859 0.888 1.00 0.00 C ATOM 0 HA PRO A 29 8.309 -11.511 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.720 -13.664 1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.048 -13.079 -0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.536 -12.511 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.179 -12.868 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.048 -10.317 1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.881 -10.670 -0.093 1.00 0.00 H new ATOM 434 N THR A 30 8.714 -10.769 3.247 1.00 0.00 N ATOM 435 CA THR A 30 8.126 -10.773 4.580 1.00 0.00 C ATOM 436 C THR A 30 7.422 -9.453 4.874 1.00 0.00 C ATOM 437 O THR A 30 6.557 -9.379 5.748 1.00 0.00 O ATOM 438 CB THR A 30 9.191 -11.026 5.663 1.00 0.00 C ATOM 439 OG1 THR A 30 10.306 -10.150 5.468 1.00 0.00 O ATOM 440 CG2 THR A 30 9.663 -12.472 5.630 1.00 0.00 C ATOM 0 H THR A 30 9.343 -9.986 3.066 1.00 0.00 H new ATOM 0 HA THR A 30 7.397 -11.583 4.602 1.00 0.00 H new ATOM 0 HB THR A 30 8.742 -10.829 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.978 -10.316 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.415 -12.627 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.817 -13.135 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.096 -12.691 4.654 1.00 0.00 H new ATOM 448 N THR A 31 7.797 -8.411 4.139 1.00 0.00 N ATOM 449 CA THR A 31 7.202 -7.093 4.321 1.00 0.00 C ATOM 450 C THR A 31 7.013 -6.385 2.985 1.00 0.00 C ATOM 451 O THR A 31 7.950 -6.268 2.195 1.00 0.00 O ATOM 452 CB THR A 31 8.067 -6.209 5.240 1.00 0.00 C ATOM 453 OG1 THR A 31 8.481 -6.954 6.390 1.00 0.00 O ATOM 454 CG2 THR A 31 7.298 -4.972 5.680 1.00 0.00 C ATOM 0 H THR A 31 8.511 -8.454 3.412 1.00 0.00 H new ATOM 0 HA THR A 31 6.229 -7.247 4.787 1.00 0.00 H new ATOM 0 HB THR A 31 8.946 -5.891 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.031 -6.385 6.968 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.928 -4.363 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.011 -4.391 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.403 -5.274 6.224 1.00 0.00 H new ATOM 462 N VAL A 32 5.795 -5.914 2.737 1.00 0.00 N ATOM 463 CA VAL A 32 5.483 -5.215 1.496 1.00 0.00 C ATOM 464 C VAL A 32 4.969 -3.807 1.772 1.00 0.00 C ATOM 465 O VAL A 32 4.252 -3.578 2.746 1.00 0.00 O ATOM 466 CB VAL A 32 4.432 -5.981 0.670 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.108 -5.228 -0.611 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.920 -7.388 0.361 1.00 0.00 C ATOM 0 H VAL A 32 5.008 -6.004 3.379 1.00 0.00 H new ATOM 0 HA VAL A 32 6.410 -5.154 0.925 1.00 0.00 H new ATOM 0 HB VAL A 32 3.518 -6.059 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.364 -5.784 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.714 -4.242 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.014 -5.117 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.165 -7.915 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.848 -7.334 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.097 -7.925 1.293 1.00 0.00 H new ATOM 478 N GLN A 33 5.339 -2.868 0.908 1.00 0.00 N ATOM 479 CA GLN A 33 4.915 -1.481 1.059 1.00 0.00 C ATOM 480 C GLN A 33 3.667 -1.199 0.229 1.00 0.00 C ATOM 481 O GLN A 33 3.541 -1.672 -0.901 1.00 0.00 O ATOM 482 CB GLN A 33 6.042 -0.533 0.645 1.00 0.00 C ATOM 483 CG GLN A 33 5.930 0.852 1.262 1.00 0.00 C ATOM 484 CD GLN A 33 6.690 1.904 0.479 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.714 1.613 -0.141 1.00 0.00 O ATOM 486 NE2 GLN A 33 6.192 3.134 0.502 1.00 0.00 N ATOM 0 H GLN A 33 5.931 -3.042 0.096 1.00 0.00 H new ATOM 0 HA GLN A 33 4.676 -1.313 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.998 -0.972 0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.046 -0.439 -0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.879 1.136 1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.308 0.822 2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.341 3.330 1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.660 3.883 -0.007 1.00 0.00 H new ATOM 495 N VAL A 34 2.747 -0.427 0.797 1.00 0.00 N ATOM 496 CA VAL A 34 1.508 -0.082 0.109 1.00 0.00 C ATOM 497 C VAL A 34 1.333 1.430 0.017 1.00 0.00 C ATOM 498 O VAL A 34 1.527 2.150 0.998 1.00 0.00 O ATOM 499 CB VAL A 34 0.284 -0.687 0.820 1.00 0.00 C ATOM 500 CG1 VAL A 34 -0.997 -0.310 0.092 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.422 -2.198 0.925 1.00 0.00 C ATOM 0 H VAL A 34 2.836 -0.028 1.732 1.00 0.00 H new ATOM 0 HA VAL A 34 1.578 -0.499 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 34 0.234 -0.279 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.851 -0.747 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.099 0.775 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.960 -0.688 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.452 -2.609 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.498 -2.627 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.319 -2.443 1.494 1.00 0.00 H new ATOM 511 N THR A 35 0.965 1.907 -1.168 1.00 0.00 N ATOM 512 CA THR A 35 0.765 3.334 -1.389 1.00 0.00 C ATOM 513 C THR A 35 -0.517 3.594 -2.171 1.00 0.00 C ATOM 514 O THR A 35 -0.933 2.774 -2.990 1.00 0.00 O ATOM 515 CB THR A 35 1.951 3.957 -2.147 1.00 0.00 C ATOM 516 OG1 THR A 35 3.182 3.605 -1.506 1.00 0.00 O ATOM 517 CG2 THR A 35 1.820 5.472 -2.207 1.00 0.00 C ATOM 0 H THR A 35 0.799 1.326 -1.990 1.00 0.00 H new ATOM 0 HA THR A 35 0.688 3.799 -0.406 1.00 0.00 H new ATOM 0 HB THR A 35 1.947 3.567 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.931 4.004 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.670 5.890 -2.747 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.897 5.737 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.800 5.876 -1.195 1.00 0.00 H new ATOM 525 N TRP A 36 -1.139 4.739 -1.916 1.00 0.00 N ATOM 526 CA TRP A 36 -2.374 5.107 -2.598 1.00 0.00 C ATOM 527 C TRP A 36 -2.630 6.606 -2.490 1.00 0.00 C ATOM 528 O TRP A 36 -2.007 7.297 -1.682 1.00 0.00 O ATOM 529 CB TRP A 36 -3.555 4.332 -2.012 1.00 0.00 C ATOM 530 CG TRP A 36 -3.917 4.762 -0.622 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.719 5.810 -0.271 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.488 4.155 0.602 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.814 5.891 1.097 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.069 4.887 1.656 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.671 3.064 0.910 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.857 4.562 2.993 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.461 2.743 2.237 1.00 0.00 C ATOM 538 CH2 TRP A 36 -3.052 3.489 3.265 1.00 0.00 C ATOM 0 H TRP A 36 -0.808 5.429 -1.242 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.268 4.851 -3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.421 4.459 -2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.315 3.269 -2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.207 6.477 -0.966 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.353 6.587 1.613 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.212 2.482 0.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.311 5.136 3.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.830 1.902 2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.869 3.212 4.293 1.00 0.00 H new ATOM 549 N THR A 37 -3.551 7.106 -3.307 1.00 0.00 N ATOM 550 CA THR A 37 -3.889 8.524 -3.303 1.00 0.00 C ATOM 551 C THR A 37 -5.398 8.730 -3.377 1.00 0.00 C ATOM 552 O THR A 37 -6.105 7.981 -4.050 1.00 0.00 O ATOM 553 CB THR A 37 -3.224 9.263 -4.480 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.477 10.669 -4.382 1.00 0.00 O ATOM 555 CG2 THR A 37 -3.743 8.740 -5.811 1.00 0.00 C ATOM 0 H THR A 37 -4.077 6.549 -3.981 1.00 0.00 H new ATOM 0 HA THR A 37 -3.514 8.936 -2.366 1.00 0.00 H new ATOM 0 HB THR A 37 -2.150 9.084 -4.432 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.049 11.131 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.259 9.277 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.522 7.676 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.821 8.892 -5.866 1.00 0.00 H new ATOM 563 N VAL A 38 -5.885 9.752 -2.680 1.00 0.00 N ATOM 564 CA VAL A 38 -7.311 10.058 -2.667 1.00 0.00 C ATOM 565 C VAL A 38 -7.590 11.400 -3.334 1.00 0.00 C ATOM 566 O VAL A 38 -6.858 12.369 -3.133 1.00 0.00 O ATOM 567 CB VAL A 38 -7.866 10.085 -1.231 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.670 8.736 -0.557 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.207 11.194 -0.426 1.00 0.00 C ATOM 0 H VAL A 38 -5.313 10.382 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.810 9.267 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.936 10.288 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.068 8.775 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.194 7.967 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.607 8.499 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.611 11.198 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.131 11.025 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.406 12.155 -0.900 1.00 0.00 H new ATOM 579 N ASP A 39 -8.654 11.450 -4.128 1.00 0.00 N ATOM 580 CA ASP A 39 -9.033 12.674 -4.824 1.00 0.00 C ATOM 581 C ASP A 39 -9.346 13.789 -3.831 1.00 0.00 C ATOM 582 O ASP A 39 -8.914 14.929 -4.006 1.00 0.00 O ATOM 583 CB ASP A 39 -10.243 12.421 -5.723 1.00 0.00 C ATOM 584 CG ASP A 39 -11.557 12.669 -5.009 1.00 0.00 C ATOM 585 OD1 ASP A 39 -11.804 12.013 -3.975 1.00 0.00 O ATOM 586 OD2 ASP A 39 -12.339 13.520 -5.484 1.00 0.00 O ATOM 0 H ASP A 39 -9.270 10.656 -4.306 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.191 12.987 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.182 13.066 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.216 11.392 -6.082 1.00 0.00 H new ATOM 591 N ARG A 40 -10.099 13.452 -2.789 1.00 0.00 N ATOM 592 CA ARG A 40 -10.471 14.426 -1.769 1.00 0.00 C ATOM 593 C ARG A 40 -10.259 13.855 -0.370 1.00 0.00 C ATOM 594 O ARG A 40 -11.015 12.995 0.081 1.00 0.00 O ATOM 595 CB ARG A 40 -11.932 14.846 -1.944 1.00 0.00 C ATOM 596 CG ARG A 40 -12.166 15.752 -3.142 1.00 0.00 C ATOM 597 CD ARG A 40 -13.648 15.904 -3.444 1.00 0.00 C ATOM 598 NE ARG A 40 -14.256 16.984 -2.672 1.00 0.00 N ATOM 599 CZ ARG A 40 -15.445 17.508 -2.950 1.00 0.00 C ATOM 600 NH1 ARG A 40 -16.149 17.053 -3.977 1.00 0.00 N ATOM 601 NH2 ARG A 40 -15.931 18.488 -2.200 1.00 0.00 N ATOM 0 H ARG A 40 -10.463 12.513 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.832 15.301 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.548 13.953 -2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.265 15.358 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.731 16.732 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.656 15.343 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.783 16.099 -4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.161 14.968 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.739 17.357 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.778 16.299 -4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.062 17.457 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.392 18.840 -1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.844 18.890 -2.414 1.00 0.00 H new ATOM 615 N GLN A 41 -9.226 14.340 0.311 1.00 0.00 N ATOM 616 CA GLN A 41 -8.914 13.878 1.658 1.00 0.00 C ATOM 617 C GLN A 41 -10.007 14.285 2.640 1.00 0.00 C ATOM 618 O GLN A 41 -10.191 15.463 2.948 1.00 0.00 O ATOM 619 CB GLN A 41 -7.566 14.440 2.114 1.00 0.00 C ATOM 620 CG GLN A 41 -7.076 13.855 3.429 1.00 0.00 C ATOM 621 CD GLN A 41 -5.826 14.540 3.943 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.032 15.072 3.166 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.643 14.531 5.258 1.00 0.00 N ATOM 0 H GLN A 41 -8.591 15.053 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.857 12.790 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.822 14.248 1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.649 15.522 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.865 13.939 4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.875 12.792 3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.327 14.078 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.819 14.977 5.661 1.00 0.00 H new ATOM 632 N PRO A 42 -10.751 13.290 3.145 1.00 0.00 N ATOM 633 CA PRO A 42 -11.839 13.521 4.100 1.00 0.00 C ATOM 634 C PRO A 42 -11.326 13.962 5.467 1.00 0.00 C ATOM 635 O PRO A 42 -10.288 13.492 5.931 1.00 0.00 O ATOM 636 CB PRO A 42 -12.519 12.153 4.200 1.00 0.00 C ATOM 637 CG PRO A 42 -11.456 11.174 3.838 1.00 0.00 C ATOM 638 CD PRO A 42 -10.588 11.863 2.822 1.00 0.00 C ATOM 0 HA PRO A 42 -12.505 14.321 3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.898 11.972 5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.369 12.083 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.876 10.885 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.889 10.262 3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.547 11.549 2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.909 11.642 1.804 1.00 0.00 H new ATOM 646 N GLN A 43 -12.062 14.865 6.106 1.00 0.00 N ATOM 647 CA GLN A 43 -11.681 15.369 7.420 1.00 0.00 C ATOM 648 C GLN A 43 -12.213 14.464 8.526 1.00 0.00 C ATOM 649 O GLN A 43 -11.467 14.041 9.409 1.00 0.00 O ATOM 650 CB GLN A 43 -12.203 16.793 7.615 1.00 0.00 C ATOM 651 CG GLN A 43 -11.581 17.805 6.666 1.00 0.00 C ATOM 652 CD GLN A 43 -10.106 18.027 6.934 1.00 0.00 C ATOM 653 OE1 GLN A 43 -9.256 17.281 6.449 1.00 0.00 O ATOM 654 NE2 GLN A 43 -9.794 19.058 7.711 1.00 0.00 N ATOM 0 H GLN A 43 -12.925 15.263 5.735 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.592 15.378 7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.284 16.796 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.010 17.104 8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.712 17.463 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.109 18.754 6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.531 19.651 8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.817 19.257 7.927 1.00 0.00 H new ATOM 663 N PHE A 44 -13.508 14.170 8.471 1.00 0.00 N ATOM 664 CA PHE A 44 -14.141 13.316 9.469 1.00 0.00 C ATOM 665 C PHE A 44 -13.388 11.996 9.611 1.00 0.00 C ATOM 666 O PHE A 44 -13.187 11.500 10.720 1.00 0.00 O ATOM 667 CB PHE A 44 -15.599 13.046 9.090 1.00 0.00 C ATOM 668 CG PHE A 44 -15.770 12.543 7.685 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.817 13.427 6.620 1.00 0.00 C ATOM 670 CD2 PHE A 44 -15.883 11.186 7.430 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.975 12.967 5.326 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.040 10.720 6.139 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.085 11.612 5.085 1.00 0.00 C ATOM 0 H PHE A 44 -14.139 14.511 7.746 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.112 13.836 10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.017 12.315 9.782 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.174 13.964 9.211 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.729 14.488 6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.848 10.484 8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.012 13.667 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.127 9.660 5.954 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.206 11.250 4.075 1.00 0.00 H new ATOM 683 N ILE A 45 -12.976 11.433 8.481 1.00 0.00 N ATOM 684 CA ILE A 45 -12.245 10.171 8.479 1.00 0.00 C ATOM 685 C ILE A 45 -11.413 10.016 9.747 1.00 0.00 C ATOM 686 O ILE A 45 -10.823 10.979 10.235 1.00 0.00 O ATOM 687 CB ILE A 45 -11.319 10.059 7.253 1.00 0.00 C ATOM 688 CG1 ILE A 45 -10.938 8.598 7.007 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.073 10.910 7.451 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.184 8.380 5.714 1.00 0.00 C ATOM 0 H ILE A 45 -13.135 11.830 7.555 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.989 9.375 8.436 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.853 10.429 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.327 8.245 7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.844 7.991 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.429 10.821 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.362 11.953 7.584 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.535 10.567 8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.947 7.322 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.801 8.702 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.261 8.959 5.729 1.00 0.00 H new ATOM 702 N GLN A 46 -11.369 8.796 10.274 1.00 0.00 N ATOM 703 CA GLN A 46 -10.608 8.515 11.485 1.00 0.00 C ATOM 704 C GLN A 46 -9.275 7.854 11.149 1.00 0.00 C ATOM 705 O GLN A 46 -8.274 8.069 11.831 1.00 0.00 O ATOM 706 CB GLN A 46 -11.415 7.615 12.423 1.00 0.00 C ATOM 707 CG GLN A 46 -12.437 8.369 13.258 1.00 0.00 C ATOM 708 CD GLN A 46 -11.794 9.300 14.268 1.00 0.00 C ATOM 709 OE1 GLN A 46 -11.582 10.481 13.993 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.479 8.770 15.444 1.00 0.00 N ATOM 0 H GLN A 46 -11.851 7.987 9.881 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.407 9.462 11.986 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.929 6.856 11.833 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.730 7.091 13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.085 8.946 12.598 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.072 7.654 13.781 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.673 7.786 15.628 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.043 9.347 16.163 1.00 0.00 H new ATOM 719 N GLY A 47 -9.270 7.046 10.092 1.00 0.00 N ATOM 720 CA GLY A 47 -8.055 6.365 9.685 1.00 0.00 C ATOM 721 C GLY A 47 -8.196 5.686 8.337 1.00 0.00 C ATOM 722 O GLY A 47 -8.982 6.120 7.494 1.00 0.00 O ATOM 0 H GLY A 47 -10.086 6.851 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.236 7.083 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.789 5.622 10.437 1.00 0.00 H new ATOM 726 N TYR A 48 -7.431 4.620 8.130 1.00 0.00 N ATOM 727 CA TYR A 48 -7.470 3.883 6.873 1.00 0.00 C ATOM 728 C TYR A 48 -7.281 2.388 7.112 1.00 0.00 C ATOM 729 O TYR A 48 -6.213 1.946 7.536 1.00 0.00 O ATOM 730 CB TYR A 48 -6.391 4.399 5.921 1.00 0.00 C ATOM 731 CG TYR A 48 -6.771 5.679 5.211 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.486 5.650 4.020 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.414 6.917 5.731 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.834 6.817 3.368 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.759 8.089 5.086 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.470 8.033 3.905 1.00 0.00 C ATOM 737 OH TYR A 48 -7.815 9.198 3.259 1.00 0.00 O ATOM 0 H TYR A 48 -6.776 4.247 8.817 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.449 4.039 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.472 4.564 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.177 3.631 5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.775 4.699 3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.857 6.964 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.389 6.777 2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.474 9.043 5.504 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.484 9.966 3.770 1.00 0.00 H new ATOM 747 N ARG A 49 -8.326 1.614 6.837 1.00 0.00 N ATOM 748 CA ARG A 49 -8.277 0.169 7.023 1.00 0.00 C ATOM 749 C ARG A 49 -7.745 -0.522 5.770 1.00 0.00 C ATOM 750 O ARG A 49 -8.335 -0.421 4.694 1.00 0.00 O ATOM 751 CB ARG A 49 -9.667 -0.371 7.364 1.00 0.00 C ATOM 752 CG ARG A 49 -9.640 -1.617 8.233 1.00 0.00 C ATOM 753 CD ARG A 49 -10.962 -1.820 8.957 1.00 0.00 C ATOM 754 NE ARG A 49 -10.808 -2.637 10.158 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.672 -2.630 11.167 1.00 0.00 C ATOM 756 NH1 ARG A 49 -12.746 -1.854 11.120 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.464 -3.402 12.226 1.00 0.00 N ATOM 0 H ARG A 49 -9.217 1.964 6.485 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.600 -0.043 7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.234 0.407 7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.197 -0.595 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.425 -2.489 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.833 -1.536 8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.379 -0.850 9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.675 -2.296 8.284 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.993 -3.246 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.911 -1.260 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.407 -1.851 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.640 -4.002 12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.128 -3.396 13.000 1.00 0.00 H new ATOM 771 N VAL A 50 -6.626 -1.223 5.918 1.00 0.00 N ATOM 772 CA VAL A 50 -6.014 -1.931 4.800 1.00 0.00 C ATOM 773 C VAL A 50 -6.208 -3.438 4.931 1.00 0.00 C ATOM 774 O VAL A 50 -5.379 -4.131 5.520 1.00 0.00 O ATOM 775 CB VAL A 50 -4.508 -1.625 4.698 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.870 -2.446 3.588 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.281 -0.138 4.471 1.00 0.00 C ATOM 0 H VAL A 50 -6.125 -1.316 6.801 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.510 -1.581 3.895 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.034 -1.902 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.806 -2.216 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.001 -3.507 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.345 -2.204 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.211 0.060 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.768 0.167 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.701 0.426 5.304 1.00 0.00 H new ATOM 787 N MET A 51 -7.307 -3.938 4.377 1.00 0.00 N ATOM 788 CA MET A 51 -7.609 -5.364 4.431 1.00 0.00 C ATOM 789 C MET A 51 -6.687 -6.150 3.505 1.00 0.00 C ATOM 790 O MET A 51 -6.493 -5.781 2.346 1.00 0.00 O ATOM 791 CB MET A 51 -9.069 -5.613 4.047 1.00 0.00 C ATOM 792 CG MET A 51 -10.032 -5.505 5.219 1.00 0.00 C ATOM 793 SD MET A 51 -11.732 -5.889 4.758 1.00 0.00 S ATOM 794 CE MET A 51 -11.551 -7.571 4.169 1.00 0.00 C ATOM 0 H MET A 51 -8.003 -3.378 3.886 1.00 0.00 H new ATOM 0 HA MET A 51 -7.446 -5.706 5.453 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.362 -4.897 3.279 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.156 -6.606 3.606 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.712 -6.183 6.011 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.990 -4.495 5.627 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.433 -8.149 4.443 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.442 -7.567 3.084 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.667 -8.021 4.620 1.00 0.00 H new ATOM 804 N TYR A 52 -6.121 -7.234 4.022 1.00 0.00 N ATOM 805 CA TYR A 52 -5.216 -8.071 3.242 1.00 0.00 C ATOM 806 C TYR A 52 -5.373 -9.541 3.618 1.00 0.00 C ATOM 807 O TYR A 52 -5.662 -9.872 4.769 1.00 0.00 O ATOM 808 CB TYR A 52 -3.767 -7.630 3.457 1.00 0.00 C ATOM 809 CG TYR A 52 -3.292 -7.786 4.884 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.733 -6.926 5.881 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.402 -8.794 5.234 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.301 -7.064 7.186 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.966 -8.940 6.536 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.417 -8.073 7.509 1.00 0.00 C ATOM 815 OH TYR A 52 -1.985 -8.215 8.808 1.00 0.00 O ATOM 0 H TYR A 52 -6.273 -7.555 4.978 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.472 -7.955 2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.118 -8.211 2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.666 -6.586 3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.426 -6.136 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.045 -9.475 4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.653 -6.386 7.949 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.275 -9.730 6.791 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.367 -8.974 8.866 1.00 0.00 H new ATOM 825 N ARG A 53 -5.181 -10.419 2.640 1.00 0.00 N ATOM 826 CA ARG A 53 -5.301 -11.854 2.866 1.00 0.00 C ATOM 827 C ARG A 53 -4.640 -12.640 1.738 1.00 0.00 C ATOM 828 O ARG A 53 -4.435 -12.118 0.643 1.00 0.00 O ATOM 829 CB ARG A 53 -6.774 -12.252 2.984 1.00 0.00 C ATOM 830 CG ARG A 53 -7.509 -12.264 1.654 1.00 0.00 C ATOM 831 CD ARG A 53 -8.674 -13.242 1.670 1.00 0.00 C ATOM 832 NE ARG A 53 -9.178 -13.515 0.327 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.416 -13.927 0.077 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.271 -14.113 1.073 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.801 -14.154 -1.173 1.00 0.00 N ATOM 0 H ARG A 53 -4.941 -10.162 1.682 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.791 -12.093 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.839 -13.242 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.276 -11.560 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.876 -11.262 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.817 -12.534 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.357 -14.176 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.479 -12.837 2.284 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.545 -13.382 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.979 -13.940 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.221 -14.429 0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.146 -14.012 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.752 -14.470 -1.364 1.00 0.00 H new ATOM 849 N GLN A 54 -4.308 -13.897 2.014 1.00 0.00 N ATOM 850 CA GLN A 54 -3.669 -14.754 1.023 1.00 0.00 C ATOM 851 C GLN A 54 -4.657 -15.156 -0.068 1.00 0.00 C ATOM 852 O GLN A 54 -5.869 -15.169 0.151 1.00 0.00 O ATOM 853 CB GLN A 54 -3.094 -16.004 1.692 1.00 0.00 C ATOM 854 CG GLN A 54 -1.833 -16.527 1.023 1.00 0.00 C ATOM 855 CD GLN A 54 -0.873 -17.166 2.007 1.00 0.00 C ATOM 856 OE1 GLN A 54 0.292 -16.778 2.096 1.00 0.00 O ATOM 857 NE2 GLN A 54 -1.358 -18.152 2.752 1.00 0.00 N ATOM 0 H GLN A 54 -4.471 -14.344 2.916 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.857 -14.191 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.875 -15.779 2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.850 -16.789 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.106 -17.257 0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.330 -15.706 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.330 -18.441 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.758 -18.620 3.431 1.00 0.00 H new ATOM 866 N THR A 55 -4.131 -15.483 -1.244 1.00 0.00 N ATOM 867 CA THR A 55 -4.967 -15.883 -2.370 1.00 0.00 C ATOM 868 C THR A 55 -4.523 -17.229 -2.932 1.00 0.00 C ATOM 869 O THR A 55 -5.349 -18.045 -3.340 1.00 0.00 O ATOM 870 CB THR A 55 -4.934 -14.833 -3.496 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.583 -14.437 -3.757 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.762 -13.613 -3.122 1.00 0.00 C ATOM 0 H THR A 55 -3.130 -15.479 -1.442 1.00 0.00 H new ATOM 0 HA THR A 55 -5.986 -15.967 -1.993 1.00 0.00 H new ATOM 0 HB THR A 55 -5.361 -15.281 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.570 -13.770 -4.475 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.724 -12.885 -3.932 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.796 -13.913 -2.952 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.360 -13.165 -2.213 1.00 0.00 H new ATOM 880 N SER A 56 -3.213 -17.454 -2.951 1.00 0.00 N ATOM 881 CA SER A 56 -2.660 -18.701 -3.467 1.00 0.00 C ATOM 882 C SER A 56 -2.161 -19.586 -2.328 1.00 0.00 C ATOM 883 O SER A 56 -2.307 -20.807 -2.367 1.00 0.00 O ATOM 884 CB SER A 56 -1.516 -18.411 -4.441 1.00 0.00 C ATOM 885 OG SER A 56 -1.976 -17.679 -5.564 1.00 0.00 O ATOM 0 H SER A 56 -2.515 -16.790 -2.615 1.00 0.00 H new ATOM 0 HA SER A 56 -3.453 -19.231 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.734 -17.848 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.069 -19.349 -4.772 1.00 0.00 H new ATOM 0 HG SER A 56 -1.226 -17.505 -6.170 1.00 0.00 H new ATOM 891 N GLY A 57 -1.570 -18.959 -1.315 1.00 0.00 N ATOM 892 CA GLY A 57 -1.058 -19.704 -0.180 1.00 0.00 C ATOM 893 C GLY A 57 -2.105 -20.608 0.440 1.00 0.00 C ATOM 894 O GLY A 57 -3.171 -20.824 -0.138 1.00 0.00 O ATOM 0 H GLY A 57 -1.437 -17.949 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.206 -20.305 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.692 -19.006 0.574 1.00 0.00 H new ATOM 898 N LEU A 58 -1.801 -21.141 1.619 1.00 0.00 N ATOM 899 CA LEU A 58 -2.724 -22.029 2.318 1.00 0.00 C ATOM 900 C LEU A 58 -3.816 -21.232 3.025 1.00 0.00 C ATOM 901 O LEU A 58 -4.987 -21.610 3.000 1.00 0.00 O ATOM 902 CB LEU A 58 -1.966 -22.888 3.332 1.00 0.00 C ATOM 903 CG LEU A 58 -2.586 -24.248 3.656 1.00 0.00 C ATOM 904 CD1 LEU A 58 -3.891 -24.072 4.416 1.00 0.00 C ATOM 905 CD2 LEU A 58 -2.812 -25.047 2.381 1.00 0.00 C ATOM 0 H LEU A 58 -0.923 -20.974 2.111 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.194 -22.679 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.956 -23.052 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.873 -22.323 4.260 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.893 -24.801 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.318 -25.050 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.700 -23.539 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.592 -23.500 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.254 -26.012 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.486 -24.499 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.859 -25.204 1.876 1.00 0.00 H new ATOM 917 N GLN A 59 -3.425 -20.128 3.652 1.00 0.00 N ATOM 918 CA GLN A 59 -4.371 -19.278 4.364 1.00 0.00 C ATOM 919 C GLN A 59 -5.123 -18.370 3.395 1.00 0.00 C ATOM 920 O GLN A 59 -5.485 -17.245 3.738 1.00 0.00 O ATOM 921 CB GLN A 59 -3.644 -18.434 5.412 1.00 0.00 C ATOM 922 CG GLN A 59 -3.092 -19.247 6.571 1.00 0.00 C ATOM 923 CD GLN A 59 -2.587 -18.378 7.706 1.00 0.00 C ATOM 924 OE1 GLN A 59 -3.100 -17.283 7.940 1.00 0.00 O ATOM 925 NE2 GLN A 59 -1.576 -18.862 8.418 1.00 0.00 N ATOM 0 H GLN A 59 -2.459 -19.801 3.681 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.093 -19.922 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.825 -17.899 4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.331 -17.682 5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.870 -19.912 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.279 -19.878 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.182 -19.774 8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.194 -18.321 9.194 1.00 0.00 H new ATOM 934 N ALA A 60 -5.353 -18.867 2.184 1.00 0.00 N ATOM 935 CA ALA A 60 -6.063 -18.101 1.167 1.00 0.00 C ATOM 936 C ALA A 60 -7.572 -18.198 1.361 1.00 0.00 C ATOM 937 O ALA A 60 -8.093 -19.242 1.753 1.00 0.00 O ATOM 938 CB ALA A 60 -5.675 -18.584 -0.223 1.00 0.00 C ATOM 0 H ALA A 60 -5.058 -19.796 1.883 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.777 -17.054 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.212 -18.004 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.602 -18.457 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.932 -19.638 -0.327 1.00 0.00 H new ATOM 944 N THR A 61 -8.271 -17.101 1.084 1.00 0.00 N ATOM 945 CA THR A 61 -9.721 -17.062 1.229 1.00 0.00 C ATOM 946 C THR A 61 -10.167 -17.798 2.487 1.00 0.00 C ATOM 947 O THR A 61 -11.299 -18.275 2.571 1.00 0.00 O ATOM 948 CB THR A 61 -10.425 -17.682 0.008 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.842 -17.511 0.120 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.097 -19.163 -0.112 1.00 0.00 C ATOM 0 H THR A 61 -7.856 -16.228 0.758 1.00 0.00 H new ATOM 0 HA THR A 61 -10.003 -16.012 1.306 1.00 0.00 H new ATOM 0 HB THR A 61 -10.067 -17.173 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.133 -17.773 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.606 -19.579 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.020 -19.289 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.430 -19.683 0.786 1.00 0.00 H new ATOM 958 N SER A 62 -9.271 -17.887 3.465 1.00 0.00 N ATOM 959 CA SER A 62 -9.572 -18.569 4.718 1.00 0.00 C ATOM 960 C SER A 62 -10.097 -17.584 5.760 1.00 0.00 C ATOM 961 O SER A 62 -11.097 -17.845 6.428 1.00 0.00 O ATOM 962 CB SER A 62 -8.325 -19.276 5.252 1.00 0.00 C ATOM 963 OG SER A 62 -8.662 -20.216 6.257 1.00 0.00 O ATOM 0 H SER A 62 -8.331 -17.495 3.414 1.00 0.00 H new ATOM 0 HA SER A 62 -10.345 -19.311 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.812 -19.782 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.631 -18.539 5.657 1.00 0.00 H new ATOM 0 HG SER A 62 -7.848 -20.655 6.580 1.00 0.00 H new ATOM 969 N SER A 63 -9.414 -16.452 5.891 1.00 0.00 N ATOM 970 CA SER A 63 -9.807 -15.429 6.853 1.00 0.00 C ATOM 971 C SER A 63 -9.181 -14.083 6.501 1.00 0.00 C ATOM 972 O SER A 63 -7.958 -13.949 6.449 1.00 0.00 O ATOM 973 CB SER A 63 -9.394 -15.842 8.266 1.00 0.00 C ATOM 974 OG SER A 63 -10.288 -16.805 8.798 1.00 0.00 O ATOM 0 H SER A 63 -8.586 -16.220 5.343 1.00 0.00 H new ATOM 0 HA SER A 63 -10.892 -15.327 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.383 -16.250 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.372 -14.965 8.913 1.00 0.00 H new ATOM 0 HG SER A 63 -10.761 -17.252 8.065 1.00 0.00 H new ATOM 980 N TRP A 64 -10.028 -13.089 6.259 1.00 0.00 N ATOM 981 CA TRP A 64 -9.559 -11.752 5.912 1.00 0.00 C ATOM 982 C TRP A 64 -8.964 -11.051 7.128 1.00 0.00 C ATOM 983 O TRP A 64 -9.377 -11.297 8.260 1.00 0.00 O ATOM 984 CB TRP A 64 -10.707 -10.920 5.339 1.00 0.00 C ATOM 985 CG TRP A 64 -10.824 -11.016 3.848 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.712 -11.777 3.143 1.00 0.00 C ATOM 987 CD2 TRP A 64 -10.024 -10.330 2.879 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.513 -11.605 1.794 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.483 -10.721 1.606 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.966 -9.421 2.962 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.919 -10.236 0.429 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.407 -8.940 1.794 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.885 -9.347 0.541 1.00 0.00 C ATOM 0 H TRP A 64 -11.043 -13.183 6.297 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.780 -11.852 5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.644 -11.246 5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.564 -9.876 5.619 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.461 -12.420 3.581 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -12.045 -12.061 1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.592 -9.100 3.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.285 -10.550 -0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.588 -8.238 1.847 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.428 -8.951 -0.354 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.992 -10.178 6.885 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.340 -9.442 7.962 1.00 0.00 C ATOM 1006 C GLN A 65 -7.570 -7.941 7.813 1.00 0.00 C ATOM 1007 O GLN A 65 -8.126 -7.485 6.815 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.841 -9.741 7.978 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.488 -11.047 8.672 1.00 0.00 C ATOM 1010 CD GLN A 65 -6.051 -11.132 10.077 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -6.797 -12.055 10.405 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -5.696 -10.166 10.916 1.00 0.00 N ATOM 0 H GLN A 65 -7.639 -9.963 5.953 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.778 -9.766 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.475 -9.774 6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.321 -8.923 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.867 -11.882 8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.404 -11.151 8.712 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.075 -9.420 10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.044 -10.170 11.875 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.137 -7.179 8.812 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.297 -5.730 8.792 1.00 0.00 C ATOM 1023 C ASN A 66 -6.105 -5.042 9.451 1.00 0.00 C ATOM 1024 O ASN A 66 -5.738 -5.362 10.583 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.590 -5.328 9.505 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.700 -6.342 9.303 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.797 -7.326 10.036 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.543 -6.105 8.306 1.00 0.00 N ATOM 0 H ASN A 66 -6.673 -7.541 9.645 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.349 -5.410 7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.394 -5.215 10.571 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.918 -4.356 9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.310 -6.752 8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.424 -5.276 7.724 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.505 -4.096 8.737 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.355 -3.362 9.253 1.00 0.00 C ATOM 1037 C LEU A 67 -4.722 -1.911 9.547 1.00 0.00 C ATOM 1038 O LEU A 67 -4.699 -1.062 8.657 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.201 -3.414 8.250 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.867 -2.842 8.731 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.109 -3.873 9.552 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -1.028 -2.377 7.550 1.00 0.00 C ATOM 0 H LEU A 67 -5.796 -3.819 7.799 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.042 -3.834 10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.045 -4.453 7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.502 -2.875 7.352 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.072 -1.981 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.162 -3.448 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.705 -4.157 10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.916 -4.754 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.083 -1.973 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.832 -3.221 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.567 -1.604 7.003 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.058 -1.635 10.802 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.427 -0.286 11.216 1.00 0.00 C ATOM 1056 C ASP A 68 -4.227 0.652 11.143 1.00 0.00 C ATOM 1057 O ASP A 68 -3.221 0.443 11.822 1.00 0.00 O ATOM 1058 CB ASP A 68 -5.993 -0.302 12.637 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.246 -1.257 13.547 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.091 -0.950 13.910 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -5.817 -2.312 13.896 1.00 0.00 O ATOM 0 H ASP A 68 -5.083 -2.327 11.551 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.193 0.080 10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.947 0.704 13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.045 -0.585 12.603 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.339 1.685 10.315 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.263 2.656 10.155 1.00 0.00 C ATOM 1068 C ALA A 69 -3.180 3.587 11.360 1.00 0.00 C ATOM 1069 O ALA A 69 -2.127 4.160 11.644 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.462 3.458 8.878 1.00 0.00 C ATOM 0 H ALA A 69 -5.164 1.871 9.745 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.322 2.111 10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.652 4.179 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.463 2.784 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.414 3.987 8.925 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.296 3.735 12.065 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.350 4.597 13.241 1.00 0.00 C ATOM 1078 C LYS A 70 -3.824 5.992 12.917 1.00 0.00 C ATOM 1079 O LYS A 70 -3.242 6.660 13.772 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.536 3.986 14.384 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.115 2.687 14.916 1.00 0.00 C ATOM 1082 CD LYS A 70 -3.729 2.457 16.368 1.00 0.00 C ATOM 1083 CE LYS A 70 -4.283 1.141 16.890 1.00 0.00 C ATOM 1084 NZ LYS A 70 -3.349 0.008 16.642 1.00 0.00 N ATOM 0 H LYS A 70 -5.176 3.269 11.843 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.392 4.683 13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.518 3.806 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.473 4.707 15.199 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.201 2.708 14.826 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.761 1.854 14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.643 2.458 16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.103 3.278 16.979 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.474 1.226 17.960 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.240 0.934 16.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.500 -0.730 17.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.526 -0.387 15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.368 0.349 16.697 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.034 6.426 11.679 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.584 7.743 11.243 1.00 0.00 C ATOM 1100 C VAL A 71 -4.132 8.082 9.862 1.00 0.00 C ATOM 1101 O VAL A 71 -3.736 7.502 8.850 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.046 7.827 11.209 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.462 6.623 10.485 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.599 9.124 10.551 1.00 0.00 C ATOM 0 H VAL A 71 -4.513 5.885 10.959 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.964 8.464 11.967 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.675 7.819 12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.375 6.699 10.471 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.755 5.710 11.003 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.837 6.596 9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.510 9.167 10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.979 9.164 9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.988 9.971 11.116 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.064 9.045 9.815 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.687 9.485 8.563 1.00 0.00 C ATOM 1116 C PRO A 72 -4.714 10.247 7.669 1.00 0.00 C ATOM 1117 O PRO A 72 -4.921 10.356 6.460 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.816 10.405 9.032 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.372 10.900 10.365 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.583 9.779 10.982 1.00 0.00 C ATOM 0 HA PRO A 72 -6.028 8.644 7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.971 11.229 8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.761 9.867 9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.762 11.797 10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.227 11.164 10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.777 10.154 11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.209 9.145 11.610 1.00 0.00 H new ATOM 1128 N THR A 73 -3.653 10.774 8.271 1.00 0.00 N ATOM 1129 CA THR A 73 -2.649 11.527 7.530 1.00 0.00 C ATOM 1130 C THR A 73 -1.615 10.597 6.904 1.00 0.00 C ATOM 1131 O THR A 73 -0.466 10.984 6.695 1.00 0.00 O ATOM 1132 CB THR A 73 -1.927 12.543 8.435 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.158 11.855 9.428 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.926 13.470 9.112 1.00 0.00 C ATOM 0 H THR A 73 -3.467 10.693 9.271 1.00 0.00 H new ATOM 0 HA THR A 73 -3.176 12.064 6.741 1.00 0.00 H new ATOM 0 HB THR A 73 -1.263 13.143 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.701 12.508 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.393 14.179 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.489 14.014 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.612 12.882 9.722 1.00 0.00 H new ATOM 1142 N GLU A 74 -2.033 9.371 6.607 1.00 0.00 N ATOM 1143 CA GLU A 74 -1.141 8.386 6.005 1.00 0.00 C ATOM 1144 C GLU A 74 -1.843 7.635 4.878 1.00 0.00 C ATOM 1145 O GLU A 74 -2.845 6.954 5.101 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.648 7.397 7.063 1.00 0.00 C ATOM 1147 CG GLU A 74 0.635 7.831 7.752 1.00 0.00 C ATOM 1148 CD GLU A 74 1.316 6.694 8.487 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.467 5.608 7.889 1.00 0.00 O ATOM 1150 OE2 GLU A 74 1.697 6.889 9.660 1.00 0.00 O ATOM 0 H GLU A 74 -2.982 9.036 6.773 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.285 8.916 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.427 7.264 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.488 6.426 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.320 8.241 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.411 8.632 8.457 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.310 7.763 3.667 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.886 7.098 2.504 1.00 0.00 C ATOM 1159 C ARG A 75 -0.964 5.991 2.000 1.00 0.00 C ATOM 1160 O ARG A 75 -0.884 5.737 0.798 1.00 0.00 O ATOM 1161 CB ARG A 75 -2.144 8.111 1.387 1.00 0.00 C ATOM 1162 CG ARG A 75 -3.094 9.228 1.785 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.894 9.730 0.594 1.00 0.00 C ATOM 1164 NE ARG A 75 -4.241 11.143 0.724 1.00 0.00 N ATOM 1165 CZ ARG A 75 -3.431 12.134 0.369 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -2.234 11.869 -0.135 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -3.819 13.395 0.518 1.00 0.00 N ATOM 0 H ARG A 75 -0.480 8.321 3.466 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.833 6.650 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.194 8.547 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.553 7.589 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.775 8.870 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.527 10.052 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.317 9.581 -0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.805 9.140 0.495 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.155 11.382 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.932 10.902 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.615 12.633 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.739 13.603 0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.197 14.156 0.245 1.00 0.00 H new ATOM 1181 N SER A 76 -0.271 5.337 2.926 1.00 0.00 N ATOM 1182 CA SER A 76 0.648 4.261 2.575 1.00 0.00 C ATOM 1183 C SER A 76 1.038 3.455 3.811 1.00 0.00 C ATOM 1184 O SER A 76 1.750 3.946 4.686 1.00 0.00 O ATOM 1185 CB SER A 76 1.901 4.829 1.906 1.00 0.00 C ATOM 1186 OG SER A 76 2.623 5.660 2.799 1.00 0.00 O ATOM 0 H SER A 76 -0.328 5.533 3.925 1.00 0.00 H new ATOM 0 HA SER A 76 0.141 3.597 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.539 4.012 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.618 5.400 1.021 1.00 0.00 H new ATOM 0 HG SER A 76 2.533 5.315 3.712 1.00 0.00 H new ATOM 1192 N ALA A 77 0.566 2.215 3.874 1.00 0.00 N ATOM 1193 CA ALA A 77 0.866 1.339 5.000 1.00 0.00 C ATOM 1194 C ALA A 77 1.758 0.180 4.571 1.00 0.00 C ATOM 1195 O ALA A 77 1.795 -0.187 3.396 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.421 0.816 5.619 1.00 0.00 C ATOM 0 H ALA A 77 -0.026 1.794 3.158 1.00 0.00 H new ATOM 0 HA ALA A 77 1.405 1.921 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.182 0.163 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.022 1.654 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.982 0.255 4.872 1.00 0.00 H new ATOM 1202 N VAL A 78 2.478 -0.394 5.530 1.00 0.00 N ATOM 1203 CA VAL A 78 3.370 -1.513 5.252 1.00 0.00 C ATOM 1204 C VAL A 78 2.937 -2.763 6.009 1.00 0.00 C ATOM 1205 O VAL A 78 2.797 -2.743 7.233 1.00 0.00 O ATOM 1206 CB VAL A 78 4.826 -1.177 5.627 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.732 -2.373 5.377 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.308 0.040 4.851 1.00 0.00 C ATOM 0 H VAL A 78 2.461 -0.102 6.507 1.00 0.00 H new ATOM 0 HA VAL A 78 3.313 -1.704 4.180 1.00 0.00 H new ATOM 0 HB VAL A 78 4.864 -0.940 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.756 -2.116 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.397 -3.216 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.693 -2.645 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.338 0.264 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.256 -0.166 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.675 0.896 5.086 1.00 0.00 H new ATOM 1218 N LEU A 79 2.727 -3.850 5.275 1.00 0.00 N ATOM 1219 CA LEU A 79 2.310 -5.111 5.877 1.00 0.00 C ATOM 1220 C LEU A 79 3.520 -5.939 6.300 1.00 0.00 C ATOM 1221 O LEU A 79 4.386 -6.254 5.483 1.00 0.00 O ATOM 1222 CB LEU A 79 1.451 -5.909 4.895 1.00 0.00 C ATOM 1223 CG LEU A 79 0.292 -5.149 4.247 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.044 -5.746 2.889 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.929 -5.164 5.155 1.00 0.00 C ATOM 0 H LEU A 79 2.839 -3.883 4.262 1.00 0.00 H new ATOM 0 HA LEU A 79 1.720 -4.883 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.097 -6.290 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.044 -6.774 5.419 1.00 0.00 H new ATOM 0 HG LEU A 79 0.598 -4.113 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.871 -5.193 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.828 -5.683 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.331 -6.790 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.744 -4.619 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.237 -6.194 5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.682 -4.690 6.105 1.00 0.00 H new ATOM 1237 N VAL A 80 3.572 -6.289 7.581 1.00 0.00 N ATOM 1238 CA VAL A 80 4.674 -7.083 8.112 1.00 0.00 C ATOM 1239 C VAL A 80 4.216 -8.496 8.458 1.00 0.00 C ATOM 1240 O VAL A 80 3.020 -8.778 8.502 1.00 0.00 O ATOM 1241 CB VAL A 80 5.282 -6.431 9.368 1.00 0.00 C ATOM 1242 CG1 VAL A 80 5.755 -5.018 9.059 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.274 -6.427 10.507 1.00 0.00 C ATOM 0 H VAL A 80 2.864 -6.035 8.270 1.00 0.00 H new ATOM 0 HA VAL A 80 5.434 -7.130 7.332 1.00 0.00 H new ATOM 0 HB VAL A 80 6.146 -7.018 9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.182 -4.572 9.958 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.512 -5.051 8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.910 -4.417 8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.720 -5.963 11.386 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.390 -5.864 10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.988 -7.452 10.744 1.00 0.00 H new ATOM 1253 N ASN A 81 5.178 -9.380 8.704 1.00 0.00 N ATOM 1254 CA ASN A 81 4.873 -10.764 9.047 1.00 0.00 C ATOM 1255 C ASN A 81 4.118 -11.452 7.914 1.00 0.00 C ATOM 1256 O ASN A 81 3.076 -12.071 8.133 1.00 0.00 O ATOM 1257 CB ASN A 81 4.049 -10.824 10.334 1.00 0.00 C ATOM 1258 CG ASN A 81 4.908 -10.705 11.578 1.00 0.00 C ATOM 1259 OD1 ASN A 81 4.876 -11.569 12.454 1.00 0.00 O ATOM 1260 ND2 ASN A 81 5.683 -9.630 11.661 1.00 0.00 N ATOM 0 H ASN A 81 6.174 -9.163 8.672 1.00 0.00 H new ATOM 0 HA ASN A 81 5.816 -11.289 9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.311 -10.022 10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.498 -11.764 10.365 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.283 -9.496 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.678 -8.939 10.911 1.00 0.00 H new ATOM 1267 N LEU A 82 4.650 -11.340 6.702 1.00 0.00 N ATOM 1268 CA LEU A 82 4.028 -11.951 5.533 1.00 0.00 C ATOM 1269 C LEU A 82 4.779 -13.209 5.111 1.00 0.00 C ATOM 1270 O LEU A 82 5.944 -13.397 5.461 1.00 0.00 O ATOM 1271 CB LEU A 82 3.987 -10.955 4.373 1.00 0.00 C ATOM 1272 CG LEU A 82 3.228 -9.653 4.633 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.529 -8.633 3.545 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.731 -9.916 4.719 1.00 0.00 C ATOM 0 H LEU A 82 5.511 -10.831 6.503 1.00 0.00 H new ATOM 0 HA LEU A 82 3.009 -12.231 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.012 -10.706 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.537 -11.449 3.512 1.00 0.00 H new ATOM 0 HG LEU A 82 3.561 -9.246 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.980 -7.713 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.598 -8.422 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.225 -9.032 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.207 -8.978 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.383 -10.347 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.530 -10.611 5.534 1.00 0.00 H new ATOM 1286 N LYS A 83 4.105 -14.069 4.355 1.00 0.00 N ATOM 1287 CA LYS A 83 4.708 -15.309 3.882 1.00 0.00 C ATOM 1288 C LYS A 83 5.607 -15.051 2.676 1.00 0.00 C ATOM 1289 O LYS A 83 5.498 -14.017 2.018 1.00 0.00 O ATOM 1290 CB LYS A 83 3.621 -16.322 3.514 1.00 0.00 C ATOM 1291 CG LYS A 83 2.879 -16.880 4.715 1.00 0.00 C ATOM 1292 CD LYS A 83 2.060 -18.106 4.345 1.00 0.00 C ATOM 1293 CE LYS A 83 2.905 -19.370 4.372 1.00 0.00 C ATOM 1294 NZ LYS A 83 2.980 -19.958 5.738 1.00 0.00 N ATOM 0 H LYS A 83 3.140 -13.930 4.057 1.00 0.00 H new ATOM 0 HA LYS A 83 5.318 -15.717 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.905 -15.847 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.075 -17.146 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.593 -17.141 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.222 -16.113 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.226 -18.210 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.634 -17.973 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.484 -20.103 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.911 -19.142 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.565 -20.818 5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.405 -19.268 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.023 -20.199 6.065 1.00 0.00 H new ATOM 1308 N LYS A 84 6.493 -15.999 2.391 1.00 0.00 N ATOM 1309 CA LYS A 84 7.409 -15.876 1.263 1.00 0.00 C ATOM 1310 C LYS A 84 6.974 -16.774 0.109 1.00 0.00 C ATOM 1311 O LYS A 84 6.758 -17.972 0.289 1.00 0.00 O ATOM 1312 CB LYS A 84 8.833 -16.236 1.694 1.00 0.00 C ATOM 1313 CG LYS A 84 9.310 -15.470 2.916 1.00 0.00 C ATOM 1314 CD LYS A 84 8.957 -16.197 4.203 1.00 0.00 C ATOM 1315 CE LYS A 84 9.973 -15.914 5.299 1.00 0.00 C ATOM 1316 NZ LYS A 84 9.455 -16.287 6.644 1.00 0.00 N ATOM 0 H LYS A 84 6.596 -16.861 2.926 1.00 0.00 H new ATOM 0 HA LYS A 84 7.390 -14.841 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.881 -17.305 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.514 -16.043 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.390 -15.330 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.860 -14.477 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.966 -15.889 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.912 -17.270 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.890 -16.468 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.232 -14.855 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.176 -16.079 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.594 -15.740 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.232 -17.303 6.661 1.00 0.00 H new ATOM 1330 N GLY A 85 6.849 -16.187 -1.077 1.00 0.00 N ATOM 1331 CA GLY A 85 6.441 -16.950 -2.243 1.00 0.00 C ATOM 1332 C GLY A 85 4.944 -17.178 -2.292 1.00 0.00 C ATOM 1333 O GLY A 85 4.484 -18.319 -2.359 1.00 0.00 O ATOM 0 H GLY A 85 7.023 -15.197 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.755 -16.425 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.952 -17.913 -2.240 1.00 0.00 H new ATOM 1337 N VAL A 86 4.179 -16.092 -2.257 1.00 0.00 N ATOM 1338 CA VAL A 86 2.724 -16.179 -2.297 1.00 0.00 C ATOM 1339 C VAL A 86 2.100 -14.818 -2.586 1.00 0.00 C ATOM 1340 O VAL A 86 2.586 -13.787 -2.118 1.00 0.00 O ATOM 1341 CB VAL A 86 2.158 -16.721 -0.972 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.547 -15.814 0.186 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.646 -16.868 -1.059 1.00 0.00 C ATOM 0 H VAL A 86 4.543 -15.141 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 86 2.470 -16.870 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 86 2.587 -17.707 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.138 -16.213 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.633 -15.764 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.149 -14.814 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.263 -17.252 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.197 -15.896 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.393 -17.561 -1.861 1.00 0.00 H new ATOM 1353 N THR A 87 1.019 -14.821 -3.359 1.00 0.00 N ATOM 1354 CA THR A 87 0.328 -13.587 -3.711 1.00 0.00 C ATOM 1355 C THR A 87 -0.588 -13.129 -2.582 1.00 0.00 C ATOM 1356 O THR A 87 -1.107 -13.945 -1.820 1.00 0.00 O ATOM 1357 CB THR A 87 -0.506 -13.757 -4.995 1.00 0.00 C ATOM 1358 OG1 THR A 87 0.249 -14.476 -5.978 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.918 -12.404 -5.556 1.00 0.00 C ATOM 0 H THR A 87 0.603 -15.665 -3.753 1.00 0.00 H new ATOM 0 HA THR A 87 1.096 -12.832 -3.882 1.00 0.00 H new ATOM 0 HB THR A 87 -1.406 -14.319 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.289 -14.581 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.506 -12.550 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.516 -11.871 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.027 -11.821 -5.791 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.783 -11.819 -2.479 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.635 -11.252 -1.441 1.00 0.00 C ATOM 1369 C TYR A 88 -2.516 -10.142 -2.006 1.00 0.00 C ATOM 1370 O TYR A 88 -2.031 -9.226 -2.669 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.783 -10.707 -0.294 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.426 -11.748 0.743 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.341 -12.128 1.718 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.825 -12.352 0.749 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -1.020 -13.078 2.668 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.154 -13.304 1.694 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.229 -13.664 2.651 1.00 0.00 C ATOM 1378 OH TYR A 88 0.553 -14.611 3.595 1.00 0.00 O ATOM 0 H TYR A 88 -0.362 -11.130 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.279 -12.045 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.135 -10.284 -0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.320 -9.892 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.320 -11.672 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.553 -12.072 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.742 -13.360 3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.131 -13.764 1.683 1.00 0.00 H new ATOM 0 HH TYR A 88 0.535 -15.501 3.185 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.815 -10.232 -1.737 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.765 -9.236 -2.218 1.00 0.00 C ATOM 1390 C GLU A 89 -5.063 -8.201 -1.137 1.00 0.00 C ATOM 1391 O GLU A 89 -5.552 -8.538 -0.058 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.064 -9.911 -2.664 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.097 -8.942 -3.213 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.344 -9.641 -3.718 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -9.158 -10.080 -2.879 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -8.505 -9.751 -4.951 1.00 0.00 O ATOM 0 H GLU A 89 -4.233 -10.984 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.317 -8.727 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.834 -10.654 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.494 -10.446 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.374 -8.232 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.654 -8.366 -4.026 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.763 -6.941 -1.434 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.999 -5.857 -0.488 1.00 0.00 C ATOM 1405 C ILE A 90 -5.751 -4.706 -1.148 1.00 0.00 C ATOM 1406 O ILE A 90 -5.592 -4.448 -2.341 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.678 -5.323 0.097 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.802 -6.482 0.578 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.956 -4.354 1.236 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.872 -7.020 -0.487 1.00 0.00 C ATOM 0 H ILE A 90 -4.356 -6.646 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.605 -6.269 0.319 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.141 -4.788 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.210 -6.150 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.444 -7.290 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.013 -3.986 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.544 -3.515 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.511 -4.866 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.282 -7.839 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.457 -7.383 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.205 -6.226 -0.823 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.572 -4.017 -0.363 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.348 -2.891 -0.868 1.00 0.00 C ATOM 1424 C LYS A 91 -7.577 -1.853 0.226 1.00 0.00 C ATOM 1425 O LYS A 91 -7.895 -2.197 1.365 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.693 -3.376 -1.415 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.554 -4.076 -0.378 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.289 -5.572 -0.351 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.275 -6.297 0.552 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.538 -6.633 -0.162 1.00 0.00 N ATOM 0 H LYS A 91 -6.717 -4.219 0.626 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.782 -2.425 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.242 -2.523 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.513 -4.058 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.356 -3.653 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.607 -3.896 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.358 -5.973 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.272 -5.756 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.817 -7.211 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.502 -5.673 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.183 -7.126 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.989 -5.759 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.325 -7.249 -0.972 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.416 -0.582 -0.126 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.607 0.506 0.825 1.00 0.00 C ATOM 1446 C VAL A 92 -9.077 0.903 0.918 1.00 0.00 C ATOM 1447 O VAL A 92 -9.809 0.845 -0.070 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.776 1.744 0.438 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -7.100 2.913 1.356 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.290 1.420 0.476 1.00 0.00 C ATOM 0 H VAL A 92 -7.153 -0.280 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.270 0.141 1.795 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.036 2.031 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.503 3.778 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.159 3.158 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.870 2.641 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.717 2.305 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.012 1.107 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.075 0.615 -0.227 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.501 1.307 2.111 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.883 1.713 2.333 1.00 0.00 C ATOM 1462 C ARG A 93 -10.975 2.734 3.463 1.00 0.00 C ATOM 1463 O ARG A 93 -10.714 2.432 4.628 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.749 0.495 2.659 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.205 -0.351 3.799 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.121 -1.524 4.109 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.074 -2.546 3.066 1.00 0.00 N ATOM 1468 CZ ARG A 93 -12.848 -2.530 1.986 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -13.723 -1.550 1.808 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -12.746 -3.495 1.081 1.00 0.00 N ATOM 0 H ARG A 93 -8.907 1.362 2.938 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.251 2.176 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.754 0.832 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.838 -0.126 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.214 -0.721 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.090 0.267 4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.834 -1.966 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.144 -1.165 4.219 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.411 -3.314 3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.803 -0.806 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.316 -1.540 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.073 -4.250 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.341 -3.482 0.252 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.355 3.972 3.114 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.491 5.062 4.085 1.00 0.00 C ATOM 1486 C PRO A 94 -12.674 4.858 5.024 1.00 0.00 C ATOM 1487 O PRO A 94 -13.828 5.040 4.634 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.712 6.294 3.205 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.299 5.760 1.944 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.683 4.402 1.744 1.00 0.00 C ATOM 0 HA PRO A 94 -10.621 5.138 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.384 7.007 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.775 6.818 3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.384 5.689 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.079 6.416 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.376 3.713 1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.794 4.452 1.115 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.381 4.479 6.263 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.422 4.248 7.258 1.00 0.00 C ATOM 1500 C TYR A 95 -13.405 5.337 8.327 1.00 0.00 C ATOM 1501 O TYR A 95 -12.351 5.882 8.658 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.239 2.876 7.909 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.354 2.900 9.134 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.872 3.217 10.384 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.999 2.608 9.042 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -12.067 3.241 11.506 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.186 2.628 10.159 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.724 2.945 11.389 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.918 2.968 12.504 1.00 0.00 O ATOM 0 H TYR A 95 -11.432 4.325 6.602 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.387 4.277 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.217 2.481 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.813 2.190 7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.923 3.449 10.480 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.574 2.361 8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.486 3.490 12.470 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.135 2.397 10.070 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.001 2.735 12.249 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.580 5.649 8.863 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.702 6.673 9.895 1.00 0.00 C ATOM 1521 C PHE A 96 -14.879 6.039 11.272 1.00 0.00 C ATOM 1522 O PHE A 96 -14.005 6.142 12.131 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.884 7.595 9.590 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.166 8.589 10.681 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.259 9.595 10.971 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.338 8.515 11.416 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.516 10.511 11.974 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.600 9.428 12.420 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.687 10.426 12.700 1.00 0.00 C ATOM 0 H PHE A 96 -15.461 5.208 8.600 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.784 7.260 9.900 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.686 8.132 8.662 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.774 6.988 9.423 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.341 9.665 10.407 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.054 7.736 11.202 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.802 11.292 12.189 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.518 9.361 12.985 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.889 11.139 13.486 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.018 5.384 11.473 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.311 4.734 12.745 1.00 0.00 C ATOM 1541 C ASN A 97 -16.516 3.234 12.555 1.00 0.00 C ATOM 1542 O ASN A 97 -15.681 2.428 12.963 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.556 5.353 13.383 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.485 5.365 14.897 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -17.225 4.339 15.526 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -17.717 6.530 15.491 1.00 0.00 N ATOM 0 H ASN A 97 -16.753 5.289 10.772 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.458 4.885 13.407 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.678 6.373 13.020 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.438 4.795 13.068 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.683 6.600 16.508 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.929 7.355 14.930 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.632 2.869 11.933 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.946 1.466 11.690 1.00 0.00 C ATOM 1555 C GLU A 98 -17.985 1.168 10.193 1.00 0.00 C ATOM 1556 O GLU A 98 -17.488 0.137 9.741 1.00 0.00 O ATOM 1557 CB GLU A 98 -19.288 1.102 12.328 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.464 1.878 11.757 1.00 0.00 C ATOM 1559 CD GLU A 98 -21.766 1.572 12.471 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.990 2.130 13.565 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -22.563 0.773 11.934 1.00 0.00 O ATOM 0 H GLU A 98 -18.333 3.525 11.588 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.161 0.861 12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.467 0.035 12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.231 1.282 13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.258 2.946 11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.570 1.642 10.698 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.580 2.079 9.431 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.686 1.915 7.985 1.00 0.00 C ATOM 1570 C PHE A 99 -17.319 2.048 7.321 1.00 0.00 C ATOM 1571 O PHE A 99 -16.381 2.584 7.911 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.652 2.949 7.403 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.477 4.324 7.980 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.160 4.701 9.125 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.631 5.241 7.378 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.002 5.966 9.660 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.468 6.507 7.908 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.155 6.870 9.049 1.00 0.00 C ATOM 0 H PHE A 99 -18.996 2.938 9.790 1.00 0.00 H new ATOM 0 HA PHE A 99 -19.071 0.915 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.513 2.997 6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.675 2.618 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.824 3.998 9.606 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.092 4.963 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.540 6.247 10.554 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -17.804 7.212 7.430 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.030 7.860 9.463 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.215 1.557 6.091 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.962 1.620 5.347 1.00 0.00 C ATOM 1590 C GLN A 100 -16.195 2.141 3.933 1.00 0.00 C ATOM 1591 O GLN A 100 -16.867 1.500 3.126 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.307 0.239 5.292 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.186 -0.827 4.658 1.00 0.00 C ATOM 1594 CD GLN A 100 -15.799 -2.231 5.081 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -14.692 -2.461 5.571 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -16.710 -3.178 4.894 1.00 0.00 N ATOM 0 H GLN A 100 -17.982 1.111 5.588 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.296 2.310 5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.375 0.310 4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.047 -0.071 6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.226 -0.644 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.121 -0.748 3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.614 -2.942 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.506 -4.141 5.160 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.634 3.311 3.638 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.793 3.899 2.321 1.00 0.00 C ATOM 1607 C GLY A 101 -15.491 2.916 1.207 1.00 0.00 C ATOM 1608 O GLY A 101 -15.084 1.783 1.463 1.00 0.00 O ATOM 0 H GLY A 101 -15.073 3.861 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.814 4.266 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.133 4.761 2.229 1.00 0.00 H new ATOM 1612 N MET A 102 -15.691 3.350 -0.033 1.00 0.00 N ATOM 1613 CA MET A 102 -15.438 2.499 -1.190 1.00 0.00 C ATOM 1614 C MET A 102 -14.108 1.766 -1.045 1.00 0.00 C ATOM 1615 O MET A 102 -13.253 2.162 -0.252 1.00 0.00 O ATOM 1616 CB MET A 102 -15.437 3.333 -2.472 1.00 0.00 C ATOM 1617 CG MET A 102 -16.818 3.819 -2.882 1.00 0.00 C ATOM 1618 SD MET A 102 -17.660 2.667 -3.984 1.00 0.00 S ATOM 1619 CE MET A 102 -17.055 3.218 -5.577 1.00 0.00 C ATOM 0 H MET A 102 -16.027 4.285 -0.262 1.00 0.00 H new ATOM 0 HA MET A 102 -16.236 1.759 -1.247 1.00 0.00 H new ATOM 0 HB2 MET A 102 -14.784 4.195 -2.335 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.015 2.739 -3.282 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.425 3.972 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A 102 -16.727 4.787 -3.375 1.00 0.00 H new ATOM 0 HE1 MET A 102 -17.488 2.600 -6.364 1.00 0.00 H new ATOM 0 HE2 MET A 102 -17.340 4.258 -5.734 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.969 3.131 -5.604 1.00 0.00 H new ATOM 1629 N ASP A 103 -13.940 0.697 -1.815 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.713 -0.091 -1.773 1.00 0.00 C ATOM 1631 C ASP A 103 -11.912 0.083 -3.059 1.00 0.00 C ATOM 1632 O ASP A 103 -12.383 -0.250 -4.146 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.039 -1.569 -1.555 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.306 -1.994 -2.271 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.398 -1.558 -1.852 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -14.205 -2.765 -3.249 1.00 0.00 O ATOM 0 H ASP A 103 -14.638 0.356 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.108 0.266 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.205 -2.177 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.147 -1.761 -0.487 1.00 0.00 H new ATOM 1641 N SER A 104 -10.697 0.607 -2.927 1.00 0.00 N ATOM 1642 CA SER A 104 -9.832 0.830 -4.079 1.00 0.00 C ATOM 1643 C SER A 104 -9.684 -0.447 -4.902 1.00 0.00 C ATOM 1644 O SER A 104 -10.134 -1.516 -4.493 1.00 0.00 O ATOM 1645 CB SER A 104 -8.455 1.318 -3.623 1.00 0.00 C ATOM 1646 OG SER A 104 -7.863 0.402 -2.719 1.00 0.00 O ATOM 0 H SER A 104 -10.290 0.885 -2.034 1.00 0.00 H new ATOM 0 HA SER A 104 -10.292 1.595 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.807 1.449 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.551 2.294 -3.146 1.00 0.00 H new ATOM 0 HG SER A 104 -7.671 -0.439 -3.184 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.050 -0.324 -6.064 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.844 -1.467 -6.945 1.00 0.00 C ATOM 1654 C GLU A 105 -7.965 -2.519 -6.275 1.00 0.00 C ATOM 1655 O GLU A 105 -6.751 -2.349 -6.161 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.205 -1.017 -8.261 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.152 -0.244 -9.164 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.988 -1.151 -10.046 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -9.483 -2.222 -10.442 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -11.146 -0.790 -10.340 1.00 0.00 O ATOM 0 H GLU A 105 -8.671 0.555 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.817 -1.911 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.338 -0.395 -8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.840 -1.893 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.812 0.370 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.576 0.436 -9.791 1.00 0.00 H new ATOM 1667 N SER A 106 -8.587 -3.607 -5.832 1.00 0.00 N ATOM 1668 CA SER A 106 -7.863 -4.685 -5.169 1.00 0.00 C ATOM 1669 C SER A 106 -6.668 -5.132 -6.005 1.00 0.00 C ATOM 1670 O SER A 106 -6.828 -5.742 -7.062 1.00 0.00 O ATOM 1671 CB SER A 106 -8.795 -5.872 -4.914 1.00 0.00 C ATOM 1672 OG SER A 106 -9.467 -6.256 -6.101 1.00 0.00 O ATOM 0 H SER A 106 -9.591 -3.765 -5.920 1.00 0.00 H new ATOM 0 HA SER A 106 -7.495 -4.309 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.220 -6.714 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.525 -5.608 -4.148 1.00 0.00 H new ATOM 0 HG SER A 106 -8.842 -6.226 -6.855 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.469 -4.823 -5.523 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.244 -5.193 -6.223 1.00 0.00 C ATOM 1680 C LYS A 107 -3.581 -6.396 -5.561 1.00 0.00 C ATOM 1681 O LYS A 107 -3.537 -6.497 -4.334 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.272 -4.012 -6.250 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.693 -2.898 -7.193 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.177 -3.135 -8.602 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.684 -2.075 -9.568 1.00 0.00 C ATOM 1686 NZ LYS A 107 -2.818 -1.962 -10.773 1.00 0.00 N ATOM 0 H LYS A 107 -5.319 -4.317 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.507 -5.463 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.178 -3.607 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.285 -4.371 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.781 -2.826 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.316 -1.945 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.087 -3.132 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.491 -4.121 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.701 -2.319 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.727 -1.112 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.198 -1.229 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.853 -1.704 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.797 -2.874 -11.272 1.00 0.00 H new ATOM 1700 N THR A 108 -3.064 -7.306 -6.380 1.00 0.00 N ATOM 1701 CA THR A 108 -2.402 -8.502 -5.874 1.00 0.00 C ATOM 1702 C THR A 108 -0.887 -8.335 -5.875 1.00 0.00 C ATOM 1703 O THR A 108 -0.299 -7.919 -6.873 1.00 0.00 O ATOM 1704 CB THR A 108 -2.771 -9.744 -6.708 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.870 -9.392 -8.093 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.087 -10.342 -6.237 1.00 0.00 C ATOM 0 H THR A 108 -3.091 -7.238 -7.397 1.00 0.00 H new ATOM 0 HA THR A 108 -2.748 -8.645 -4.850 1.00 0.00 H new ATOM 0 HB THR A 108 -1.985 -10.488 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.103 -10.187 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.326 -11.217 -6.841 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.999 -10.636 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.881 -9.602 -6.341 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.260 -8.661 -4.749 1.00 0.00 N ATOM 1715 CA VAL A 109 1.188 -8.548 -4.621 1.00 0.00 C ATOM 1716 C VAL A 109 1.838 -9.922 -4.501 1.00 0.00 C ATOM 1717 O VAL A 109 1.598 -10.652 -3.539 1.00 0.00 O ATOM 1718 CB VAL A 109 1.578 -7.699 -3.396 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.132 -8.379 -2.111 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.078 -7.444 -3.382 1.00 0.00 C ATOM 0 H VAL A 109 -0.732 -9.005 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 109 1.549 -8.056 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 109 1.069 -6.737 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.416 -7.765 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.049 -8.505 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.610 -9.355 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.337 -6.843 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.608 -8.395 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.365 -6.911 -4.288 1.00 0.00 H new ATOM 1730 N ARG A 110 2.663 -10.268 -5.484 1.00 0.00 N ATOM 1731 CA ARG A 110 3.347 -11.555 -5.490 1.00 0.00 C ATOM 1732 C ARG A 110 4.681 -11.465 -4.753 1.00 0.00 C ATOM 1733 O ARG A 110 5.642 -10.883 -5.256 1.00 0.00 O ATOM 1734 CB ARG A 110 3.577 -12.029 -6.926 1.00 0.00 C ATOM 1735 CG ARG A 110 3.850 -13.520 -7.040 1.00 0.00 C ATOM 1736 CD ARG A 110 4.430 -13.878 -8.399 1.00 0.00 C ATOM 1737 NE ARG A 110 5.889 -13.816 -8.405 1.00 0.00 N ATOM 1738 CZ ARG A 110 6.612 -13.621 -9.502 1.00 0.00 C ATOM 1739 NH1 ARG A 110 6.014 -13.469 -10.676 1.00 0.00 N ATOM 1740 NH2 ARG A 110 7.936 -13.576 -9.426 1.00 0.00 N ATOM 0 H ARG A 110 2.874 -9.675 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 110 2.714 -12.277 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.701 -11.782 -7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.418 -11.481 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.543 -13.825 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.925 -14.074 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.109 -14.882 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.035 -13.197 -9.153 1.00 0.00 H new ATOM 0 HE ARG A 110 6.380 -13.929 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.996 -13.502 -10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.572 -13.319 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.399 -13.691 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.490 -13.426 -10.269 1.00 0.00 H new ATOM 1754 N THR A 111 4.731 -12.045 -3.558 1.00 0.00 N ATOM 1755 CA THR A 111 5.945 -12.029 -2.751 1.00 0.00 C ATOM 1756 C THR A 111 6.983 -13.001 -3.300 1.00 0.00 C ATOM 1757 O THR A 111 6.847 -14.217 -3.158 1.00 0.00 O ATOM 1758 CB THR A 111 5.648 -12.387 -1.283 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.951 -13.636 -1.214 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.817 -11.300 -0.617 1.00 0.00 C ATOM 0 H THR A 111 3.945 -12.532 -3.127 1.00 0.00 H new ATOM 0 HA THR A 111 6.342 -11.015 -2.797 1.00 0.00 H new ATOM 0 HB THR A 111 6.598 -12.471 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.985 -13.474 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.620 -11.576 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.363 -10.357 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.872 -11.188 -1.148 1.00 0.00 H new ATOM 1768 N THR A 112 8.022 -12.458 -3.928 1.00 0.00 N ATOM 1769 CA THR A 112 9.083 -13.278 -4.498 1.00 0.00 C ATOM 1770 C THR A 112 9.522 -14.365 -3.524 1.00 0.00 C ATOM 1771 O THR A 112 9.194 -14.318 -2.339 1.00 0.00 O ATOM 1772 CB THR A 112 10.306 -12.425 -4.884 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.268 -13.231 -5.572 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.945 -11.806 -3.649 1.00 0.00 C ATOM 0 H THR A 112 8.151 -11.454 -4.054 1.00 0.00 H new ATOM 0 HA THR A 112 8.675 -13.743 -5.396 1.00 0.00 H new ATOM 0 HB THR A 112 9.969 -11.623 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.106 -13.246 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.807 -11.208 -3.946 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.219 -11.170 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.268 -12.596 -2.972 1.00 0.00 H new ATOM 1782 N GLU A 113 10.267 -15.342 -4.032 1.00 0.00 N ATOM 1783 CA GLU A 113 10.751 -16.441 -3.204 1.00 0.00 C ATOM 1784 C GLU A 113 12.241 -16.286 -2.912 1.00 0.00 C ATOM 1785 O GLU A 113 12.682 -16.461 -1.776 1.00 0.00 O ATOM 1786 CB GLU A 113 10.493 -17.781 -3.895 1.00 0.00 C ATOM 1787 CG GLU A 113 9.114 -18.355 -3.614 1.00 0.00 C ATOM 1788 CD GLU A 113 8.771 -19.521 -4.521 1.00 0.00 C ATOM 1789 OE1 GLU A 113 8.794 -19.340 -5.756 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.481 -20.616 -3.994 1.00 0.00 O ATOM 0 H GLU A 113 10.548 -15.395 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 113 10.208 -16.417 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.612 -17.654 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.248 -18.498 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.065 -18.681 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.366 -17.571 -3.737 1.00 0.00 H new ATOM 1797 N GLU A 114 13.010 -15.958 -3.945 1.00 0.00 N ATOM 1798 CA GLU A 114 14.450 -15.782 -3.799 1.00 0.00 C ATOM 1799 C GLU A 114 14.790 -14.332 -3.465 1.00 0.00 C ATOM 1800 O GLU A 114 14.120 -13.405 -3.922 1.00 0.00 O ATOM 1801 CB GLU A 114 15.171 -16.203 -5.081 1.00 0.00 C ATOM 1802 CG GLU A 114 15.214 -17.708 -5.288 1.00 0.00 C ATOM 1803 CD GLU A 114 16.378 -18.144 -6.157 1.00 0.00 C ATOM 1804 OE1 GLU A 114 16.476 -17.662 -7.304 1.00 0.00 O ATOM 1805 OE2 GLU A 114 17.192 -18.968 -5.688 1.00 0.00 O ATOM 0 H GLU A 114 12.660 -15.809 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 114 14.785 -16.415 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.676 -15.741 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.191 -15.818 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 114 15.284 -18.202 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.281 -18.035 -5.746 1.00 0.00 H new ATOM 1812 N SER A 115 15.834 -14.144 -2.665 1.00 0.00 N ATOM 1813 CA SER A 115 16.260 -12.808 -2.266 1.00 0.00 C ATOM 1814 C SER A 115 16.211 -11.845 -3.449 1.00 0.00 C ATOM 1815 O SER A 115 16.714 -12.146 -4.530 1.00 0.00 O ATOM 1816 CB SER A 115 17.677 -12.852 -1.690 1.00 0.00 C ATOM 1817 OG SER A 115 17.688 -13.460 -0.410 1.00 0.00 O ATOM 0 H SER A 115 16.401 -14.900 -2.280 1.00 0.00 H new ATOM 0 HA SER A 115 15.574 -12.450 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.330 -13.405 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 115 18.076 -11.840 -1.619 1.00 0.00 H new ATOM 0 HG SER A 115 18.605 -13.478 -0.064 1.00 0.00 H new ATOM 1823 N GLY A 116 15.598 -10.685 -3.234 1.00 0.00 N ATOM 1824 CA GLY A 116 15.493 -9.695 -4.291 1.00 0.00 C ATOM 1825 C GLY A 116 16.327 -8.460 -4.014 1.00 0.00 C ATOM 1826 O GLY A 116 15.856 -7.486 -3.427 1.00 0.00 O ATOM 0 H GLY A 116 15.173 -10.413 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 116 15.810 -10.140 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.449 -9.405 -4.411 1.00 0.00 H new ATOM 1830 N PRO A 117 17.598 -8.492 -4.440 1.00 0.00 N ATOM 1831 CA PRO A 117 18.526 -7.374 -4.245 1.00 0.00 C ATOM 1832 C PRO A 117 18.166 -6.165 -5.101 1.00 0.00 C ATOM 1833 O PRO A 117 17.878 -6.297 -6.290 1.00 0.00 O ATOM 1834 CB PRO A 117 19.875 -7.954 -4.679 1.00 0.00 C ATOM 1835 CG PRO A 117 19.529 -9.046 -5.631 1.00 0.00 C ATOM 1836 CD PRO A 117 18.226 -9.620 -5.147 1.00 0.00 C ATOM 0 HA PRO A 117 18.514 -7.008 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 117 20.497 -7.196 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 117 20.435 -8.336 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 117 19.433 -8.662 -6.647 1.00 0.00 H new ATOM 0 HG3 PRO A 117 20.308 -9.808 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 117 17.609 -9.969 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 117 18.383 -10.472 -4.485 1.00 0.00 H new ATOM 1844 N SER A 118 18.185 -4.985 -4.488 1.00 0.00 N ATOM 1845 CA SER A 118 17.857 -3.752 -5.193 1.00 0.00 C ATOM 1846 C SER A 118 18.582 -2.562 -4.572 1.00 0.00 C ATOM 1847 O SER A 118 19.309 -2.707 -3.590 1.00 0.00 O ATOM 1848 CB SER A 118 16.346 -3.512 -5.169 1.00 0.00 C ATOM 1849 OG SER A 118 15.905 -3.172 -3.866 1.00 0.00 O ATOM 0 H SER A 118 18.424 -4.858 -3.505 1.00 0.00 H new ATOM 0 HA SER A 118 18.185 -3.856 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 118 16.091 -2.712 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.827 -4.408 -5.510 1.00 0.00 H new ATOM 0 HG SER A 118 14.937 -3.022 -3.877 1.00 0.00 H new ATOM 1855 N SER A 119 18.379 -1.384 -5.154 1.00 0.00 N ATOM 1856 CA SER A 119 19.016 -0.168 -4.662 1.00 0.00 C ATOM 1857 C SER A 119 18.144 0.516 -3.614 1.00 0.00 C ATOM 1858 O SER A 119 16.996 0.869 -3.880 1.00 0.00 O ATOM 1859 CB SER A 119 19.291 0.794 -5.820 1.00 0.00 C ATOM 1860 OG SER A 119 20.460 0.419 -6.527 1.00 0.00 O ATOM 0 H SER A 119 17.778 -1.246 -5.967 1.00 0.00 H new ATOM 0 HA SER A 119 19.962 -0.446 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 119 18.439 0.804 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 119 19.404 1.808 -5.436 1.00 0.00 H new ATOM 0 HG SER A 119 20.613 1.048 -7.263 1.00 0.00 H new ATOM 1866 N GLY A 120 18.699 0.700 -2.419 1.00 0.00 N ATOM 1867 CA GLY A 120 17.958 1.340 -1.348 1.00 0.00 C ATOM 1868 C GLY A 120 18.776 1.476 -0.079 1.00 0.00 C ATOM 1869 O GLY A 120 19.696 2.291 -0.009 1.00 0.00 O ATOM 0 H GLY A 120 19.648 0.417 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.633 2.328 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 120 17.058 0.762 -1.137 1.00 0.00 H new TER 1873 GLY A 120