USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HD1:sc= -2.94! C(o=-3.7!,f=-10!) USER MOD Set 1.2: A 94 SER OG : rot 118:sc= -0.72! USER MOD Set 2.1: A 45 LYS NZ :NH3+ -153:sc= -3.68! (180deg=-1.21) USER MOD Set 2.2: A 74 ASN : amide:sc= -4.81! C(o=-8.5!,f=-8.9!) USER MOD Set 2.3: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0433) USER MOD Single : A 52 MET CE :methyl 138:sc= -1.64 (180deg=-4.56!) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.973 (180deg=-1.28) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0162 (180deg=-0.183) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 73 MET CE :methyl 126:sc= -0.209 (180deg=-1.86) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -130:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -144:sc= 0 (180deg=-0.0698) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= -0.0979 (180deg=-0.152) USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= -0.0167 (180deg=-0.19) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 27:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 19.147 8.286 21.593 1.00 0.00 N ATOM 2 CA GLY A 37 18.618 9.330 20.736 1.00 0.00 C ATOM 3 C GLY A 37 19.592 10.477 20.552 1.00 0.00 C ATOM 4 O GLY A 37 19.984 11.129 21.520 1.00 0.00 O ATOM 0 HA2 GLY A 37 18.372 8.907 19.762 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.690 9.710 21.162 1.00 0.00 H new ATOM 8 N SER A 38 19.984 10.725 19.306 1.00 0.00 N ATOM 9 CA SER A 38 20.922 11.798 18.999 1.00 0.00 C ATOM 10 C SER A 38 20.722 12.303 17.574 1.00 0.00 C ATOM 11 O SER A 38 20.263 11.567 16.701 1.00 0.00 O ATOM 12 CB SER A 38 22.362 11.314 19.183 1.00 0.00 C ATOM 13 OG SER A 38 22.686 10.308 18.238 1.00 0.00 O ATOM 0 H SER A 38 19.666 10.197 18.493 1.00 0.00 H new ATOM 0 HA SER A 38 20.732 12.621 19.688 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.048 12.154 19.075 1.00 0.00 H new ATOM 0 HB3 SER A 38 22.492 10.925 20.193 1.00 0.00 H new ATOM 0 HG SER A 38 23.612 10.016 18.375 1.00 0.00 H new ATOM 19 N SER A 39 21.069 13.566 17.346 1.00 0.00 N ATOM 20 CA SER A 39 20.924 14.173 16.028 1.00 0.00 C ATOM 21 C SER A 39 22.143 13.882 15.159 1.00 0.00 C ATOM 22 O SER A 39 23.228 13.597 15.666 1.00 0.00 O ATOM 23 CB SER A 39 20.725 15.684 16.158 1.00 0.00 C ATOM 24 OG SER A 39 21.866 16.301 16.731 1.00 0.00 O ATOM 0 H SER A 39 21.453 14.189 18.057 1.00 0.00 H new ATOM 0 HA SER A 39 20.046 13.738 15.550 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.530 16.114 15.176 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.849 15.887 16.775 1.00 0.00 H new ATOM 0 HG SER A 39 21.715 17.267 16.802 1.00 0.00 H new ATOM 30 N GLY A 40 21.957 13.955 13.844 1.00 0.00 N ATOM 31 CA GLY A 40 23.049 13.697 12.924 1.00 0.00 C ATOM 32 C GLY A 40 22.847 12.424 12.128 1.00 0.00 C ATOM 33 O GLY A 40 22.773 12.457 10.899 1.00 0.00 O ATOM 0 H GLY A 40 21.069 14.188 13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 40 23.149 14.539 12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 40 23.982 13.628 13.483 1.00 0.00 H new ATOM 37 N SER A 41 22.759 11.297 12.827 1.00 0.00 N ATOM 38 CA SER A 41 22.570 10.006 12.177 1.00 0.00 C ATOM 39 C SER A 41 21.166 9.892 11.593 1.00 0.00 C ATOM 40 O SER A 41 20.259 10.629 11.979 1.00 0.00 O ATOM 41 CB SER A 41 22.814 8.869 13.172 1.00 0.00 C ATOM 42 OG SER A 41 22.673 7.605 12.547 1.00 0.00 O ATOM 0 H SER A 41 22.816 11.252 13.844 1.00 0.00 H new ATOM 0 HA SER A 41 23.291 9.928 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 41 23.815 8.960 13.594 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.110 8.949 14.000 1.00 0.00 H new ATOM 0 HG SER A 41 22.835 6.896 13.203 1.00 0.00 H new ATOM 48 N SER A 42 20.994 8.963 10.658 1.00 0.00 N ATOM 49 CA SER A 42 19.701 8.754 10.016 1.00 0.00 C ATOM 50 C SER A 42 18.821 7.831 10.855 1.00 0.00 C ATOM 51 O SER A 42 19.255 7.300 11.876 1.00 0.00 O ATOM 52 CB SER A 42 19.891 8.164 8.618 1.00 0.00 C ATOM 53 OG SER A 42 20.479 9.109 7.741 1.00 0.00 O ATOM 0 H SER A 42 21.734 8.343 10.328 1.00 0.00 H new ATOM 0 HA SER A 42 19.205 9.721 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 42 20.521 7.277 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 42 18.928 7.845 8.221 1.00 0.00 H new ATOM 0 HG SER A 42 20.591 8.707 6.854 1.00 0.00 H new ATOM 59 N GLY A 43 17.580 7.646 10.414 1.00 0.00 N ATOM 60 CA GLY A 43 16.658 6.788 11.134 1.00 0.00 C ATOM 61 C GLY A 43 15.378 7.504 11.516 1.00 0.00 C ATOM 62 O GLY A 43 15.092 7.687 12.699 1.00 0.00 O ATOM 0 H GLY A 43 17.197 8.075 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.416 5.922 10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.144 6.413 12.035 1.00 0.00 H new ATOM 66 N GLN A 44 14.607 7.911 10.513 1.00 0.00 N ATOM 67 CA GLN A 44 13.352 8.614 10.751 1.00 0.00 C ATOM 68 C GLN A 44 12.312 8.242 9.699 1.00 0.00 C ATOM 69 O GLN A 44 12.649 7.729 8.631 1.00 0.00 O ATOM 70 CB GLN A 44 13.581 10.127 10.745 1.00 0.00 C ATOM 71 CG GLN A 44 14.156 10.650 9.439 1.00 0.00 C ATOM 72 CD GLN A 44 14.756 12.035 9.579 1.00 0.00 C ATOM 73 OE1 GLN A 44 14.049 13.041 9.503 1.00 0.00 O ATOM 74 NE2 GLN A 44 16.066 12.095 9.786 1.00 0.00 N ATOM 0 H GLN A 44 14.829 7.766 9.528 1.00 0.00 H new ATOM 0 HA GLN A 44 12.977 8.314 11.729 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.635 10.630 10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.257 10.387 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.921 9.961 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.370 10.673 8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.613 11.236 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.525 13.000 9.889 1.00 0.00 H new ATOM 83 N LYS A 45 11.046 8.502 10.008 1.00 0.00 N ATOM 84 CA LYS A 45 9.955 8.195 9.090 1.00 0.00 C ATOM 85 C LYS A 45 10.110 8.967 7.784 1.00 0.00 C ATOM 86 O LYS A 45 9.954 8.408 6.698 1.00 0.00 O ATOM 87 CB LYS A 45 8.609 8.530 9.736 1.00 0.00 C ATOM 88 CG LYS A 45 8.324 7.732 10.997 1.00 0.00 C ATOM 89 CD LYS A 45 8.078 6.266 10.686 1.00 0.00 C ATOM 90 CE LYS A 45 8.523 5.370 11.832 1.00 0.00 C ATOM 91 NZ LYS A 45 8.959 4.030 11.352 1.00 0.00 N ATOM 0 H LYS A 45 10.750 8.925 10.888 1.00 0.00 H new ATOM 0 HA LYS A 45 9.989 7.129 8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.585 9.593 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.813 8.348 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.165 7.823 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.453 8.149 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.018 6.108 10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.615 5.991 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.343 5.848 12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.703 5.253 12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.817 3.328 12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.399 3.761 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.966 4.064 11.096 1.00 0.00 H new ATOM 105 N VAL A 46 10.420 10.255 7.896 1.00 0.00 N ATOM 106 CA VAL A 46 10.599 11.103 6.723 1.00 0.00 C ATOM 107 C VAL A 46 11.221 10.323 5.571 1.00 0.00 C ATOM 108 O VAL A 46 10.587 10.112 4.538 1.00 0.00 O ATOM 109 CB VAL A 46 11.486 12.322 7.042 1.00 0.00 C ATOM 110 CG1 VAL A 46 11.754 13.130 5.782 1.00 0.00 C ATOM 111 CG2 VAL A 46 10.837 13.186 8.113 1.00 0.00 C ATOM 0 H VAL A 46 10.552 10.734 8.787 1.00 0.00 H new ATOM 0 HA VAL A 46 9.609 11.451 6.429 1.00 0.00 H new ATOM 0 HB VAL A 46 12.442 11.965 7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.382 13.987 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.263 12.504 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.809 13.479 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.476 14.043 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.867 13.536 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.702 12.599 9.021 1.00 0.00 H new ATOM 121 N GLU A 47 12.467 9.897 5.756 1.00 0.00 N ATOM 122 CA GLU A 47 13.175 9.140 4.730 1.00 0.00 C ATOM 123 C GLU A 47 12.227 8.194 4.000 1.00 0.00 C ATOM 124 O GLU A 47 12.038 8.299 2.788 1.00 0.00 O ATOM 125 CB GLU A 47 14.325 8.346 5.354 1.00 0.00 C ATOM 126 CG GLU A 47 15.582 9.171 5.579 1.00 0.00 C ATOM 127 CD GLU A 47 16.498 8.564 6.624 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.844 7.371 6.490 1.00 0.00 O ATOM 129 OE2 GLU A 47 16.869 9.282 7.576 1.00 0.00 O ATOM 0 H GLU A 47 13.006 10.063 6.606 1.00 0.00 H new ATOM 0 HA GLU A 47 13.581 9.848 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.995 7.934 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.565 7.502 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.123 9.266 4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.301 10.178 5.888 1.00 0.00 H new ATOM 136 N PHE A 48 11.633 7.268 4.747 1.00 0.00 N ATOM 137 CA PHE A 48 10.705 6.302 4.171 1.00 0.00 C ATOM 138 C PHE A 48 9.623 7.005 3.357 1.00 0.00 C ATOM 139 O PHE A 48 9.379 6.659 2.201 1.00 0.00 O ATOM 140 CB PHE A 48 10.062 5.460 5.276 1.00 0.00 C ATOM 141 CG PHE A 48 9.004 4.520 4.774 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.353 3.355 4.109 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.661 4.800 4.967 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.381 2.488 3.646 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.685 3.936 4.506 1.00 0.00 C ATOM 146 CZ PHE A 48 7.046 2.779 3.846 1.00 0.00 C ATOM 0 H PHE A 48 11.778 7.167 5.752 1.00 0.00 H new ATOM 0 HA PHE A 48 11.268 5.648 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.838 4.885 5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.623 6.125 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.396 3.122 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.373 5.704 5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.665 1.584 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.641 4.166 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.285 2.102 3.486 1.00 0.00 H new ATOM 156 N ARG A 49 8.978 7.992 3.969 1.00 0.00 N ATOM 157 CA ARG A 49 7.920 8.743 3.303 1.00 0.00 C ATOM 158 C ARG A 49 8.330 9.111 1.879 1.00 0.00 C ATOM 159 O ARG A 49 7.598 8.849 0.924 1.00 0.00 O ATOM 160 CB ARG A 49 7.589 10.010 4.093 1.00 0.00 C ATOM 161 CG ARG A 49 6.257 10.635 3.711 1.00 0.00 C ATOM 162 CD ARG A 49 5.691 11.475 4.846 1.00 0.00 C ATOM 163 NE ARG A 49 4.448 12.141 4.465 1.00 0.00 N ATOM 164 CZ ARG A 49 4.402 13.260 3.751 1.00 0.00 C ATOM 165 NH1 ARG A 49 5.525 13.834 3.341 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.232 13.806 3.445 1.00 0.00 N ATOM 0 H ARG A 49 9.169 8.291 4.925 1.00 0.00 H new ATOM 0 HA ARG A 49 7.033 8.111 3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.577 9.772 5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.382 10.742 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.386 11.257 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.547 9.850 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.511 10.839 5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.426 12.222 5.146 1.00 0.00 H new ATOM 0 HE ARG A 49 3.567 11.724 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.426 13.416 3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.488 14.693 2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.367 13.366 3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.198 14.665 2.897 1.00 0.00 H new ATOM 180 N LYS A 50 9.503 9.720 1.745 1.00 0.00 N ATOM 181 CA LYS A 50 10.011 10.124 0.440 1.00 0.00 C ATOM 182 C LYS A 50 10.079 8.933 -0.510 1.00 0.00 C ATOM 183 O LYS A 50 9.518 8.968 -1.606 1.00 0.00 O ATOM 184 CB LYS A 50 11.398 10.756 0.583 1.00 0.00 C ATOM 185 CG LYS A 50 11.363 12.196 1.065 1.00 0.00 C ATOM 186 CD LYS A 50 12.745 12.827 1.032 1.00 0.00 C ATOM 187 CE LYS A 50 12.728 14.234 1.610 1.00 0.00 C ATOM 188 NZ LYS A 50 11.945 15.173 0.760 1.00 0.00 N ATOM 0 H LYS A 50 10.120 9.945 2.525 1.00 0.00 H new ATOM 0 HA LYS A 50 9.324 10.860 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.988 10.162 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.907 10.716 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.683 12.774 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.970 12.231 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.442 12.209 1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.107 12.859 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.301 14.210 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.750 14.599 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.041 16.140 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.304 15.139 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.942 14.897 0.770 1.00 0.00 H new ATOM 202 N ARG A 51 10.767 7.879 -0.083 1.00 0.00 N ATOM 203 CA ARG A 51 10.907 6.677 -0.896 1.00 0.00 C ATOM 204 C ARG A 51 9.558 6.245 -1.464 1.00 0.00 C ATOM 205 O ARG A 51 9.442 5.938 -2.650 1.00 0.00 O ATOM 206 CB ARG A 51 11.511 5.543 -0.067 1.00 0.00 C ATOM 207 CG ARG A 51 11.751 4.269 -0.861 1.00 0.00 C ATOM 208 CD ARG A 51 12.498 3.231 -0.037 1.00 0.00 C ATOM 209 NE ARG A 51 12.849 2.055 -0.828 1.00 0.00 N ATOM 210 CZ ARG A 51 13.853 1.239 -0.525 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.600 1.470 0.546 1.00 0.00 N ATOM 212 NH2 ARG A 51 14.110 0.188 -1.293 1.00 0.00 N ATOM 0 H ARG A 51 11.236 7.833 0.822 1.00 0.00 H new ATOM 0 HA ARG A 51 11.575 6.906 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.456 5.879 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.846 5.321 0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.796 3.857 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.322 4.501 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.405 3.677 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.882 2.928 0.810 1.00 0.00 H new ATOM 0 HE ARG A 51 12.293 1.849 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.405 2.276 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.370 0.842 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.537 0.006 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.881 -0.438 -1.060 1.00 0.00 H new ATOM 226 N MET A 52 8.542 6.222 -0.608 1.00 0.00 N ATOM 227 CA MET A 52 7.201 5.827 -1.024 1.00 0.00 C ATOM 228 C MET A 52 6.668 6.767 -2.101 1.00 0.00 C ATOM 229 O MET A 52 6.081 6.325 -3.088 1.00 0.00 O ATOM 230 CB MET A 52 6.253 5.818 0.176 1.00 0.00 C ATOM 231 CG MET A 52 6.629 4.799 1.240 1.00 0.00 C ATOM 232 SD MET A 52 6.772 3.127 0.580 1.00 0.00 S ATOM 233 CE MET A 52 8.484 3.114 0.056 1.00 0.00 C ATOM 0 H MET A 52 8.621 6.472 0.378 1.00 0.00 H new ATOM 0 HA MET A 52 7.258 4.821 -1.440 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.239 6.811 0.625 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.241 5.611 -0.172 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.576 5.088 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.878 4.811 2.030 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.941 2.163 0.328 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.535 3.244 -1.025 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.020 3.927 0.545 1.00 0.00 H new ATOM 243 N GLU A 53 6.875 8.066 -1.902 1.00 0.00 N ATOM 244 CA GLU A 53 6.413 9.067 -2.857 1.00 0.00 C ATOM 245 C GLU A 53 6.884 8.731 -4.269 1.00 0.00 C ATOM 246 O GLU A 53 6.106 8.768 -5.221 1.00 0.00 O ATOM 247 CB GLU A 53 6.915 10.455 -2.456 1.00 0.00 C ATOM 248 CG GLU A 53 6.402 10.922 -1.104 1.00 0.00 C ATOM 249 CD GLU A 53 6.281 12.430 -1.015 1.00 0.00 C ATOM 250 OE1 GLU A 53 6.182 13.082 -2.075 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.285 12.959 0.117 1.00 0.00 O ATOM 0 H GLU A 53 7.359 8.449 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 53 5.323 9.066 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.005 10.447 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.614 11.175 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.428 10.471 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.075 10.569 -0.323 1.00 0.00 H new ATOM 258 N LYS A 54 8.166 8.403 -4.396 1.00 0.00 N ATOM 259 CA LYS A 54 8.743 8.060 -5.690 1.00 0.00 C ATOM 260 C LYS A 54 8.118 6.783 -6.243 1.00 0.00 C ATOM 261 O LYS A 54 7.554 6.782 -7.336 1.00 0.00 O ATOM 262 CB LYS A 54 10.259 7.885 -5.565 1.00 0.00 C ATOM 263 CG LYS A 54 11.020 8.259 -6.825 1.00 0.00 C ATOM 264 CD LYS A 54 11.418 9.726 -6.821 1.00 0.00 C ATOM 265 CE LYS A 54 10.230 10.627 -7.118 1.00 0.00 C ATOM 266 NZ LYS A 54 9.510 10.206 -8.352 1.00 0.00 N ATOM 0 H LYS A 54 8.825 8.368 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 54 8.533 8.876 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.620 8.496 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.477 6.847 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.913 7.639 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.403 8.051 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.840 9.987 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.198 9.894 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.542 10.611 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.573 11.655 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.943 11.000 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.200 9.919 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.884 9.405 -8.133 1.00 0.00 H new ATOM 280 N GLU A 55 8.223 5.699 -5.480 1.00 0.00 N ATOM 281 CA GLU A 55 7.666 4.417 -5.895 1.00 0.00 C ATOM 282 C GLU A 55 6.222 4.576 -6.362 1.00 0.00 C ATOM 283 O GLU A 55 5.840 4.072 -7.418 1.00 0.00 O ATOM 284 CB GLU A 55 7.735 3.410 -4.745 1.00 0.00 C ATOM 285 CG GLU A 55 9.054 2.660 -4.671 1.00 0.00 C ATOM 286 CD GLU A 55 9.253 1.713 -5.839 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.250 1.153 -6.328 1.00 0.00 O ATOM 288 OE2 GLU A 55 10.414 1.533 -6.264 1.00 0.00 O ATOM 0 H GLU A 55 8.688 5.683 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 55 8.260 4.045 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.572 3.935 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.923 2.691 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.874 3.377 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.095 2.096 -3.739 1.00 0.00 H new ATOM 295 N VAL A 56 5.423 5.280 -5.565 1.00 0.00 N ATOM 296 CA VAL A 56 4.021 5.506 -5.896 1.00 0.00 C ATOM 297 C VAL A 56 3.876 6.122 -7.283 1.00 0.00 C ATOM 298 O VAL A 56 3.301 5.514 -8.186 1.00 0.00 O ATOM 299 CB VAL A 56 3.343 6.427 -4.864 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.943 6.803 -5.322 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.304 5.758 -3.498 1.00 0.00 C ATOM 0 H VAL A 56 5.723 5.703 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 56 3.531 4.532 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 56 3.929 7.342 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.480 7.454 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.001 7.325 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.343 5.900 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.822 6.423 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.742 4.827 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.321 5.545 -3.168 1.00 0.00 H new ATOM 311 N SER A 57 4.402 7.332 -7.445 1.00 0.00 N ATOM 312 CA SER A 57 4.328 8.032 -8.722 1.00 0.00 C ATOM 313 C SER A 57 4.717 7.108 -9.872 1.00 0.00 C ATOM 314 O SER A 57 3.959 6.934 -10.826 1.00 0.00 O ATOM 315 CB SER A 57 5.240 9.260 -8.708 1.00 0.00 C ATOM 316 OG SER A 57 4.768 10.257 -9.596 1.00 0.00 O ATOM 0 H SER A 57 4.884 7.848 -6.708 1.00 0.00 H new ATOM 0 HA SER A 57 3.298 8.355 -8.872 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.294 9.665 -7.697 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.252 8.968 -8.989 1.00 0.00 H new ATOM 0 HG SER A 57 5.368 11.032 -9.567 1.00 0.00 H new ATOM 322 N ASP A 58 5.903 6.519 -9.773 1.00 0.00 N ATOM 323 CA ASP A 58 6.395 5.611 -10.803 1.00 0.00 C ATOM 324 C ASP A 58 5.313 4.616 -11.211 1.00 0.00 C ATOM 325 O ASP A 58 5.096 4.372 -12.398 1.00 0.00 O ATOM 326 CB ASP A 58 7.632 4.863 -10.306 1.00 0.00 C ATOM 327 CG ASP A 58 8.362 4.145 -11.424 1.00 0.00 C ATOM 328 OD1 ASP A 58 7.694 3.708 -12.383 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.602 4.018 -11.338 1.00 0.00 O ATOM 0 H ASP A 58 6.542 6.654 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 58 6.666 6.204 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.311 5.568 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.335 4.140 -9.547 1.00 0.00 H new ATOM 334 N PHE A 59 4.639 4.043 -10.220 1.00 0.00 N ATOM 335 CA PHE A 59 3.581 3.073 -10.475 1.00 0.00 C ATOM 336 C PHE A 59 2.430 3.713 -11.247 1.00 0.00 C ATOM 337 O PHE A 59 1.879 3.112 -12.170 1.00 0.00 O ATOM 338 CB PHE A 59 3.065 2.490 -9.158 1.00 0.00 C ATOM 339 CG PHE A 59 1.699 1.875 -9.269 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.562 2.665 -9.214 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.553 0.506 -9.427 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.696 2.102 -9.316 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.297 -0.063 -9.530 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.829 0.736 -9.473 1.00 0.00 C ATOM 0 H PHE A 59 4.807 4.234 -9.232 1.00 0.00 H new ATOM 0 HA PHE A 59 3.999 2.269 -11.081 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.767 1.735 -8.804 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.040 3.279 -8.406 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.660 3.733 -9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.430 -0.123 -9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.574 2.729 -9.273 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.196 -1.131 -9.655 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.811 0.293 -9.551 1.00 0.00 H new ATOM 354 N ILE A 60 2.074 4.933 -10.862 1.00 0.00 N ATOM 355 CA ILE A 60 0.990 5.655 -11.517 1.00 0.00 C ATOM 356 C ILE A 60 1.217 5.740 -13.022 1.00 0.00 C ATOM 357 O ILE A 60 0.358 5.351 -13.812 1.00 0.00 O ATOM 358 CB ILE A 60 0.839 7.079 -10.950 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.498 7.025 -9.460 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.231 7.842 -11.716 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.879 8.281 -8.707 1.00 0.00 C ATOM 0 H ILE A 60 2.520 5.443 -10.100 1.00 0.00 H new ATOM 0 HA ILE A 60 0.075 5.096 -11.321 1.00 0.00 H new ATOM 0 HB ILE A 60 1.787 7.604 -11.067 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.572 6.854 -9.346 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.007 6.173 -9.010 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.327 8.847 -11.304 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.050 7.906 -12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.184 7.321 -11.626 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.608 8.172 -7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.954 8.443 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.350 9.134 -9.131 1.00 0.00 H new ATOM 373 N GLN A 61 2.381 6.249 -13.411 1.00 0.00 N ATOM 374 CA GLN A 61 2.722 6.384 -14.823 1.00 0.00 C ATOM 375 C GLN A 61 2.709 5.027 -15.518 1.00 0.00 C ATOM 376 O GLN A 61 2.240 4.902 -16.649 1.00 0.00 O ATOM 377 CB GLN A 61 4.097 7.036 -14.977 1.00 0.00 C ATOM 378 CG GLN A 61 4.192 8.414 -14.341 1.00 0.00 C ATOM 379 CD GLN A 61 5.589 8.998 -14.419 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.428 8.529 -15.189 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.846 10.028 -13.621 1.00 0.00 N ATOM 0 H GLN A 61 3.104 6.575 -12.769 1.00 0.00 H new ATOM 0 HA GLN A 61 1.972 7.020 -15.293 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.850 6.386 -14.531 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.335 7.117 -16.038 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.493 9.088 -14.836 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.887 8.350 -13.297 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.121 10.384 -12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.769 10.463 -13.631 1.00 0.00 H new ATOM 390 N ASP A 62 3.228 4.013 -14.834 1.00 0.00 N ATOM 391 CA ASP A 62 3.275 2.664 -15.386 1.00 0.00 C ATOM 392 C ASP A 62 1.868 2.124 -15.625 1.00 0.00 C ATOM 393 O ASP A 62 1.114 1.891 -14.681 1.00 0.00 O ATOM 394 CB ASP A 62 4.039 1.731 -14.444 1.00 0.00 C ATOM 395 CG ASP A 62 5.541 1.838 -14.616 1.00 0.00 C ATOM 396 OD1 ASP A 62 6.077 2.956 -14.466 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.182 0.804 -14.901 1.00 0.00 O ATOM 0 H ASP A 62 3.622 4.100 -13.897 1.00 0.00 H new ATOM 0 HA ASP A 62 3.795 2.708 -16.343 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.777 1.966 -13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.728 0.702 -14.625 1.00 0.00 H new ATOM 402 N SER A 63 1.522 1.930 -16.893 1.00 0.00 N ATOM 403 CA SER A 63 0.204 1.423 -17.257 1.00 0.00 C ATOM 404 C SER A 63 0.153 -0.097 -17.131 1.00 0.00 C ATOM 405 O SER A 63 -0.783 -0.652 -16.558 1.00 0.00 O ATOM 406 CB SER A 63 -0.150 1.840 -18.686 1.00 0.00 C ATOM 407 OG SER A 63 0.806 1.351 -19.611 1.00 0.00 O ATOM 0 H SER A 63 2.136 2.116 -17.686 1.00 0.00 H new ATOM 0 HA SER A 63 -0.525 1.852 -16.570 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.138 1.460 -18.945 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.199 2.927 -18.749 1.00 0.00 H new ATOM 0 HG SER A 63 0.557 1.629 -20.517 1.00 0.00 H new ATOM 413 N GLY A 64 1.168 -0.763 -17.673 1.00 0.00 N ATOM 414 CA GLY A 64 1.221 -2.212 -17.612 1.00 0.00 C ATOM 415 C GLY A 64 0.792 -2.751 -16.261 1.00 0.00 C ATOM 416 O GLY A 64 0.095 -3.762 -16.183 1.00 0.00 O ATOM 0 H GLY A 64 1.954 -0.325 -18.153 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.578 -2.629 -18.387 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.236 -2.545 -17.827 1.00 0.00 H new ATOM 420 N GLN A 65 1.212 -2.077 -15.196 1.00 0.00 N ATOM 421 CA GLN A 65 0.869 -2.496 -13.842 1.00 0.00 C ATOM 422 C GLN A 65 -0.423 -1.832 -13.378 1.00 0.00 C ATOM 423 O GLN A 65 -0.532 -0.606 -13.366 1.00 0.00 O ATOM 424 CB GLN A 65 2.006 -2.157 -12.877 1.00 0.00 C ATOM 425 CG GLN A 65 3.344 -2.758 -13.278 1.00 0.00 C ATOM 426 CD GLN A 65 4.290 -2.913 -12.103 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.344 -3.967 -11.469 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.043 -1.860 -11.807 1.00 0.00 N ATOM 0 H GLN A 65 1.790 -1.238 -15.244 1.00 0.00 H new ATOM 0 HA GLN A 65 0.719 -3.576 -13.850 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.108 -1.074 -12.815 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.743 -2.510 -11.880 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.177 -3.733 -13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.810 -2.126 -14.034 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.966 -1.006 -12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.699 -1.905 -11.027 1.00 0.00 H new ATOM 437 N ILE A 66 -1.398 -2.649 -12.996 1.00 0.00 N ATOM 438 CA ILE A 66 -2.682 -2.141 -12.530 1.00 0.00 C ATOM 439 C ILE A 66 -2.727 -2.075 -11.007 1.00 0.00 C ATOM 440 O ILE A 66 -3.502 -1.312 -10.430 1.00 0.00 O ATOM 441 CB ILE A 66 -3.849 -3.013 -13.030 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.658 -4.464 -12.580 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.959 -2.933 -14.545 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.944 -5.260 -12.547 1.00 0.00 C ATOM 0 H ILE A 66 -1.323 -3.666 -13.000 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.790 -1.136 -12.938 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.776 -2.637 -12.598 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.954 -4.955 -13.252 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.210 -4.472 -11.587 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.788 -3.555 -14.883 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.135 -1.899 -14.843 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.032 -3.288 -14.996 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.733 -6.278 -12.220 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.643 -4.793 -11.853 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.383 -5.283 -13.544 1.00 0.00 H new ATOM 456 N LYS A 67 -1.890 -2.879 -10.361 1.00 0.00 N ATOM 457 CA LYS A 67 -1.831 -2.911 -8.904 1.00 0.00 C ATOM 458 C LYS A 67 -0.399 -3.125 -8.423 1.00 0.00 C ATOM 459 O LYS A 67 0.456 -3.597 -9.173 1.00 0.00 O ATOM 460 CB LYS A 67 -2.734 -4.021 -8.361 1.00 0.00 C ATOM 461 CG LYS A 67 -2.196 -5.419 -8.609 1.00 0.00 C ATOM 462 CD LYS A 67 -3.188 -6.484 -8.172 1.00 0.00 C ATOM 463 CE LYS A 67 -2.663 -7.884 -8.454 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.663 -8.931 -8.107 1.00 0.00 N ATOM 0 H LYS A 67 -1.243 -3.518 -10.823 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.182 -1.950 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.868 -3.877 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.719 -3.933 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.973 -5.541 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.258 -5.550 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.391 -6.378 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.134 -6.337 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.400 -7.968 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.749 -8.051 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.268 -9.871 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.895 -8.868 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.526 -8.787 -8.670 1.00 0.00 H new ATOM 478 N LYS A 68 -0.144 -2.777 -7.166 1.00 0.00 N ATOM 479 CA LYS A 68 1.183 -2.933 -6.583 1.00 0.00 C ATOM 480 C LYS A 68 1.090 -3.433 -5.145 1.00 0.00 C ATOM 481 O LYS A 68 0.453 -2.806 -4.298 1.00 0.00 O ATOM 482 CB LYS A 68 1.940 -1.603 -6.623 1.00 0.00 C ATOM 483 CG LYS A 68 3.308 -1.662 -5.966 1.00 0.00 C ATOM 484 CD LYS A 68 4.032 -0.330 -6.065 1.00 0.00 C ATOM 485 CE LYS A 68 4.742 -0.180 -7.402 1.00 0.00 C ATOM 486 NZ LYS A 68 5.940 -1.059 -7.496 1.00 0.00 N ATOM 0 H LYS A 68 -0.840 -2.385 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 68 1.727 -3.672 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.058 -1.293 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.341 -0.839 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.198 -1.940 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.907 -2.439 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.318 0.484 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.757 -0.248 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.051 -0.421 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.042 0.859 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.550 -0.733 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.469 -1.022 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.639 -2.037 -7.680 1.00 0.00 H new ATOM 500 N LYS A 69 1.729 -4.566 -4.875 1.00 0.00 N ATOM 501 CA LYS A 69 1.721 -5.150 -3.539 1.00 0.00 C ATOM 502 C LYS A 69 3.003 -4.805 -2.786 1.00 0.00 C ATOM 503 O LYS A 69 4.090 -5.247 -3.157 1.00 0.00 O ATOM 504 CB LYS A 69 1.562 -6.670 -3.625 1.00 0.00 C ATOM 505 CG LYS A 69 1.559 -7.359 -2.272 1.00 0.00 C ATOM 506 CD LYS A 69 1.410 -8.865 -2.413 1.00 0.00 C ATOM 507 CE LYS A 69 1.386 -9.552 -1.056 1.00 0.00 C ATOM 508 NZ LYS A 69 2.759 -9.813 -0.542 1.00 0.00 N ATOM 0 H LYS A 69 2.260 -5.099 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 69 0.875 -4.732 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.631 -6.901 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.372 -7.078 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.486 -7.132 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.743 -6.967 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.491 -9.092 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.234 -9.259 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.844 -8.930 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.843 -10.494 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.700 -10.282 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.268 -10.427 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.269 -8.912 -0.442 1.00 0.00 H new ATOM 522 N PHE A 70 2.867 -4.014 -1.727 1.00 0.00 N ATOM 523 CA PHE A 70 4.014 -3.611 -0.922 1.00 0.00 C ATOM 524 C PHE A 70 4.331 -4.661 0.138 1.00 0.00 C ATOM 525 O PHE A 70 3.542 -5.576 0.374 1.00 0.00 O ATOM 526 CB PHE A 70 3.745 -2.260 -0.255 1.00 0.00 C ATOM 527 CG PHE A 70 3.876 -1.093 -1.191 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.122 -0.671 -1.624 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.751 -0.416 -1.636 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.246 0.403 -2.485 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.869 0.658 -2.498 1.00 0.00 C ATOM 532 CZ PHE A 70 4.118 1.069 -2.922 1.00 0.00 C ATOM 0 H PHE A 70 1.974 -3.639 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 70 4.876 -3.517 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.740 -2.266 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.439 -2.129 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.008 -1.188 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.772 -0.731 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.224 0.721 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.985 1.176 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.212 1.909 -3.594 1.00 0.00 H new ATOM 542 N GLN A 71 5.490 -4.521 0.773 1.00 0.00 N ATOM 543 CA GLN A 71 5.911 -5.458 1.808 1.00 0.00 C ATOM 544 C GLN A 71 6.031 -4.761 3.158 1.00 0.00 C ATOM 545 O GLN A 71 6.524 -3.637 3.263 1.00 0.00 O ATOM 546 CB GLN A 71 7.249 -6.098 1.431 1.00 0.00 C ATOM 547 CG GLN A 71 7.135 -7.146 0.335 1.00 0.00 C ATOM 548 CD GLN A 71 8.386 -7.992 0.204 1.00 0.00 C ATOM 549 OE1 GLN A 71 9.504 -7.482 0.274 1.00 0.00 O ATOM 550 NE2 GLN A 71 8.203 -9.293 0.013 1.00 0.00 N ATOM 0 H GLN A 71 6.154 -3.769 0.589 1.00 0.00 H new ATOM 0 HA GLN A 71 5.152 -6.236 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.937 -5.317 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.685 -6.558 2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.283 -7.793 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.934 -6.652 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.258 -9.673 -0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.008 -9.913 -0.082 1.00 0.00 H new ATOM 559 N PRO A 72 5.569 -5.440 4.219 1.00 0.00 N ATOM 560 CA PRO A 72 5.613 -4.904 5.583 1.00 0.00 C ATOM 561 C PRO A 72 7.035 -4.826 6.129 1.00 0.00 C ATOM 562 O PRO A 72 7.472 -5.702 6.874 1.00 0.00 O ATOM 563 CB PRO A 72 4.786 -5.911 6.386 1.00 0.00 C ATOM 564 CG PRO A 72 4.884 -7.183 5.615 1.00 0.00 C ATOM 565 CD PRO A 72 4.968 -6.784 4.168 1.00 0.00 C ATOM 0 HA PRO A 72 5.233 -3.884 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.178 -6.029 7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.750 -5.585 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.763 -7.754 5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.016 -7.817 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.583 -7.478 3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.985 -6.767 3.698 1.00 0.00 H new ATOM 573 N MET A 73 7.750 -3.771 5.754 1.00 0.00 N ATOM 574 CA MET A 73 9.122 -3.578 6.208 1.00 0.00 C ATOM 575 C MET A 73 9.152 -3.045 7.637 1.00 0.00 C ATOM 576 O MET A 73 9.959 -3.484 8.456 1.00 0.00 O ATOM 577 CB MET A 73 9.860 -2.614 5.277 1.00 0.00 C ATOM 578 CG MET A 73 10.437 -3.285 4.041 1.00 0.00 C ATOM 579 SD MET A 73 9.247 -3.394 2.691 1.00 0.00 S ATOM 580 CE MET A 73 9.026 -1.662 2.294 1.00 0.00 C ATOM 0 H MET A 73 7.402 -3.037 5.137 1.00 0.00 H new ATOM 0 HA MET A 73 9.623 -4.546 6.189 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.174 -1.826 4.966 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.667 -2.134 5.830 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.312 -2.728 3.705 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.778 -4.287 4.302 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.214 -1.505 1.232 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.005 -1.362 2.530 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.724 -1.063 2.878 1.00 0.00 H new ATOM 590 N ASN A 74 8.267 -2.098 7.930 1.00 0.00 N ATOM 591 CA ASN A 74 8.193 -1.505 9.260 1.00 0.00 C ATOM 592 C ASN A 74 6.767 -1.555 9.799 1.00 0.00 C ATOM 593 O ASN A 74 5.841 -1.971 9.102 1.00 0.00 O ATOM 594 CB ASN A 74 8.686 -0.057 9.224 1.00 0.00 C ATOM 595 CG ASN A 74 9.335 0.365 10.528 1.00 0.00 C ATOM 596 OD1 ASN A 74 9.578 -0.460 11.409 1.00 0.00 O ATOM 597 ND2 ASN A 74 9.619 1.656 10.657 1.00 0.00 N ATOM 0 H ASN A 74 7.591 -1.725 7.264 1.00 0.00 H new ATOM 0 HA ASN A 74 8.834 -2.084 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.402 0.060 8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.847 0.604 9.008 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.056 1.999 11.512 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.400 2.304 9.901 1.00 0.00 H new ATOM 604 N LYS A 75 6.596 -1.128 11.046 1.00 0.00 N ATOM 605 CA LYS A 75 5.283 -1.122 11.680 1.00 0.00 C ATOM 606 C LYS A 75 4.535 0.171 11.369 1.00 0.00 C ATOM 607 O LYS A 75 3.316 0.167 11.196 1.00 0.00 O ATOM 608 CB LYS A 75 5.425 -1.289 13.194 1.00 0.00 C ATOM 609 CG LYS A 75 6.216 -0.176 13.859 1.00 0.00 C ATOM 610 CD LYS A 75 7.690 -0.527 13.968 1.00 0.00 C ATOM 611 CE LYS A 75 8.316 0.079 15.214 1.00 0.00 C ATOM 612 NZ LYS A 75 9.798 0.171 15.101 1.00 0.00 N ATOM 0 H LYS A 75 7.351 -0.781 11.638 1.00 0.00 H new ATOM 0 HA LYS A 75 4.710 -1.958 11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.432 -1.334 13.641 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.911 -2.242 13.402 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.102 0.745 13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.812 0.015 14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.806 -1.611 13.991 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.217 -0.169 13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.902 1.073 15.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.055 -0.526 16.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.187 0.589 15.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.196 -0.781 14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.048 0.769 14.287 1.00 0.00 H new ATOM 626 N ILE A 76 5.273 1.273 11.297 1.00 0.00 N ATOM 627 CA ILE A 76 4.678 2.572 11.004 1.00 0.00 C ATOM 628 C ILE A 76 4.627 2.826 9.501 1.00 0.00 C ATOM 629 O ILE A 76 3.745 3.530 9.011 1.00 0.00 O ATOM 630 CB ILE A 76 5.459 3.714 11.680 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.652 3.417 13.169 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.734 5.038 11.488 1.00 0.00 C ATOM 633 CD1 ILE A 76 4.415 2.864 13.840 1.00 0.00 C ATOM 0 H ILE A 76 6.283 1.293 11.437 1.00 0.00 H new ATOM 0 HA ILE A 76 3.663 2.552 11.402 1.00 0.00 H new ATOM 0 HB ILE A 76 6.441 3.789 11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.468 2.704 13.286 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.953 4.333 13.678 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.298 5.835 11.971 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.643 5.252 10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.740 4.976 11.932 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.625 2.677 14.893 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.602 3.585 13.754 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.125 1.931 13.357 1.00 0.00 H new ATOM 645 N GLU A 77 5.579 2.247 8.776 1.00 0.00 N ATOM 646 CA GLU A 77 5.641 2.411 7.328 1.00 0.00 C ATOM 647 C GLU A 77 4.255 2.274 6.705 1.00 0.00 C ATOM 648 O GLU A 77 3.973 2.857 5.658 1.00 0.00 O ATOM 649 CB GLU A 77 6.592 1.379 6.716 1.00 0.00 C ATOM 650 CG GLU A 77 8.034 1.851 6.639 1.00 0.00 C ATOM 651 CD GLU A 77 8.908 0.922 5.819 1.00 0.00 C ATOM 652 OE1 GLU A 77 8.365 0.214 4.946 1.00 0.00 O ATOM 653 OE2 GLU A 77 10.135 0.903 6.052 1.00 0.00 O ATOM 0 H GLU A 77 6.317 1.661 9.167 1.00 0.00 H new ATOM 0 HA GLU A 77 6.018 3.412 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.549 0.463 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.246 1.129 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.063 2.850 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.441 1.931 7.647 1.00 0.00 H new ATOM 660 N ARG A 78 3.394 1.498 7.356 1.00 0.00 N ATOM 661 CA ARG A 78 2.038 1.282 6.865 1.00 0.00 C ATOM 662 C ARG A 78 1.273 2.600 6.787 1.00 0.00 C ATOM 663 O ARG A 78 0.783 2.983 5.724 1.00 0.00 O ATOM 664 CB ARG A 78 1.295 0.301 7.774 1.00 0.00 C ATOM 665 CG ARG A 78 0.196 -0.473 7.064 1.00 0.00 C ATOM 666 CD ARG A 78 0.765 -1.621 6.244 1.00 0.00 C ATOM 667 NE ARG A 78 1.486 -2.581 7.074 1.00 0.00 N ATOM 668 CZ ARG A 78 2.786 -2.497 7.334 1.00 0.00 C ATOM 669 NH1 ARG A 78 3.503 -1.500 6.833 1.00 0.00 N ATOM 670 NH2 ARG A 78 3.372 -3.410 8.099 1.00 0.00 N ATOM 0 H ARG A 78 3.611 1.009 8.224 1.00 0.00 H new ATOM 0 HA ARG A 78 2.103 0.860 5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.011 -0.405 8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.860 0.850 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.509 -0.863 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.362 0.200 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.045 -2.130 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.436 -1.225 5.482 1.00 0.00 H new ATOM 0 HE ARG A 78 0.963 -3.359 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.056 -0.795 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.501 -1.438 7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.824 -4.177 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.370 -3.344 8.298 1.00 0.00 H new ATOM 684 N SER A 79 1.173 3.289 7.919 1.00 0.00 N ATOM 685 CA SER A 79 0.463 4.562 7.980 1.00 0.00 C ATOM 686 C SER A 79 1.095 5.581 7.037 1.00 0.00 C ATOM 687 O SER A 79 0.397 6.280 6.303 1.00 0.00 O ATOM 688 CB SER A 79 0.465 5.103 9.411 1.00 0.00 C ATOM 689 OG SER A 79 0.041 6.455 9.445 1.00 0.00 O ATOM 0 H SER A 79 1.575 2.987 8.807 1.00 0.00 H new ATOM 0 HA SER A 79 -0.567 4.392 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.193 4.496 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.467 5.022 9.833 1.00 0.00 H new ATOM 0 HG SER A 79 0.049 6.777 10.370 1.00 0.00 H new ATOM 695 N ILE A 80 2.422 5.661 7.065 1.00 0.00 N ATOM 696 CA ILE A 80 3.149 6.594 6.213 1.00 0.00 C ATOM 697 C ILE A 80 2.791 6.391 4.745 1.00 0.00 C ATOM 698 O ILE A 80 2.249 7.287 4.097 1.00 0.00 O ATOM 699 CB ILE A 80 4.672 6.443 6.385 1.00 0.00 C ATOM 700 CG1 ILE A 80 5.055 6.567 7.861 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.404 7.485 5.552 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.331 5.836 8.217 1.00 0.00 C ATOM 0 H ILE A 80 3.015 5.091 7.668 1.00 0.00 H new ATOM 0 HA ILE A 80 2.855 7.598 6.520 1.00 0.00 H new ATOM 0 HB ILE A 80 4.967 5.454 6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.168 7.622 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.241 6.179 8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.479 7.366 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.150 7.354 4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.107 8.483 5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.541 5.967 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.215 4.774 7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.157 6.239 7.631 1.00 0.00 H new ATOM 714 N LEU A 81 3.097 5.207 4.226 1.00 0.00 N ATOM 715 CA LEU A 81 2.806 4.884 2.833 1.00 0.00 C ATOM 716 C LEU A 81 1.347 5.179 2.499 1.00 0.00 C ATOM 717 O LEU A 81 1.043 5.757 1.455 1.00 0.00 O ATOM 718 CB LEU A 81 3.117 3.412 2.554 1.00 0.00 C ATOM 719 CG LEU A 81 2.562 2.844 1.248 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.143 3.586 0.054 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.855 1.354 1.147 1.00 0.00 C ATOM 0 H LEU A 81 3.546 4.455 4.748 1.00 0.00 H new ATOM 0 HA LEU A 81 3.438 5.509 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.200 3.284 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.728 2.816 3.380 1.00 0.00 H new ATOM 0 HG LEU A 81 1.481 2.982 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.737 3.168 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.881 4.642 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.228 3.480 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.453 0.967 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.933 1.193 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.390 0.834 1.985 1.00 0.00 H new ATOM 733 N HIS A 82 0.448 4.779 3.393 1.00 0.00 N ATOM 734 CA HIS A 82 -0.979 5.003 3.194 1.00 0.00 C ATOM 735 C HIS A 82 -1.256 6.460 2.833 1.00 0.00 C ATOM 736 O HIS A 82 -1.893 6.748 1.820 1.00 0.00 O ATOM 737 CB HIS A 82 -1.757 4.622 4.453 1.00 0.00 C ATOM 738 CG HIS A 82 -2.090 3.163 4.533 1.00 0.00 C ATOM 739 ND1 HIS A 82 -2.811 2.501 3.562 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.793 2.238 5.476 1.00 0.00 C ATOM 741 CE1 HIS A 82 -2.945 1.233 3.905 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.336 1.047 5.062 1.00 0.00 N ATOM 0 H HIS A 82 0.683 4.298 4.262 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.308 4.373 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.173 4.902 5.330 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.681 5.200 4.488 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.233 2.406 6.384 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.465 0.476 3.336 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.278 0.162 5.566 1.00 0.00 H new ATOM 750 N ASP A 83 -0.773 7.373 3.669 1.00 0.00 N ATOM 751 CA ASP A 83 -0.968 8.800 3.438 1.00 0.00 C ATOM 752 C ASP A 83 -0.453 9.202 2.059 1.00 0.00 C ATOM 753 O ASP A 83 -1.116 9.937 1.327 1.00 0.00 O ATOM 754 CB ASP A 83 -0.257 9.615 4.519 1.00 0.00 C ATOM 755 CG ASP A 83 -0.683 11.070 4.521 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.177 11.544 3.477 1.00 0.00 O ATOM 757 OD2 ASP A 83 -0.521 11.734 5.566 1.00 0.00 O ATOM 0 H ASP A 83 -0.244 7.151 4.512 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.037 9.008 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.465 9.177 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.820 9.555 4.365 1.00 0.00 H new ATOM 762 N VAL A 84 0.735 8.716 1.712 1.00 0.00 N ATOM 763 CA VAL A 84 1.339 9.025 0.421 1.00 0.00 C ATOM 764 C VAL A 84 0.443 8.575 -0.727 1.00 0.00 C ATOM 765 O VAL A 84 0.395 9.214 -1.779 1.00 0.00 O ATOM 766 CB VAL A 84 2.719 8.357 0.273 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.280 8.594 -1.121 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.676 8.871 1.337 1.00 0.00 C ATOM 0 H VAL A 84 1.298 8.107 2.306 1.00 0.00 H new ATOM 0 HA VAL A 84 1.461 10.107 0.380 1.00 0.00 H new ATOM 0 HB VAL A 84 2.601 7.282 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.255 8.115 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.602 8.172 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.386 9.665 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.646 8.388 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.792 9.950 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.277 8.644 2.326 1.00 0.00 H new ATOM 778 N VAL A 85 -0.268 7.471 -0.519 1.00 0.00 N ATOM 779 CA VAL A 85 -1.165 6.936 -1.536 1.00 0.00 C ATOM 780 C VAL A 85 -2.397 7.818 -1.701 1.00 0.00 C ATOM 781 O VAL A 85 -2.680 8.308 -2.793 1.00 0.00 O ATOM 782 CB VAL A 85 -1.614 5.504 -1.190 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.647 5.012 -2.192 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.416 4.567 -1.143 1.00 0.00 C ATOM 0 H VAL A 85 -0.240 6.930 0.345 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.608 6.918 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.077 5.515 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.953 3.999 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.516 5.670 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.214 5.015 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.752 3.559 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.077 4.558 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.286 4.911 -0.383 1.00 0.00 H new ATOM 794 N GLU A 86 -3.128 8.015 -0.607 1.00 0.00 N ATOM 795 CA GLU A 86 -4.331 8.838 -0.632 1.00 0.00 C ATOM 796 C GLU A 86 -4.048 10.197 -1.266 1.00 0.00 C ATOM 797 O GLU A 86 -4.923 10.798 -1.890 1.00 0.00 O ATOM 798 CB GLU A 86 -4.874 9.028 0.786 1.00 0.00 C ATOM 799 CG GLU A 86 -4.094 10.042 1.606 1.00 0.00 C ATOM 800 CD GLU A 86 -4.878 10.556 2.798 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.968 11.128 2.588 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.402 10.387 3.940 1.00 0.00 O ATOM 0 H GLU A 86 -2.908 7.616 0.306 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.080 8.324 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.915 9.344 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.861 8.068 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.167 9.586 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.816 10.882 0.969 1.00 0.00 H new ATOM 809 N VAL A 87 -2.819 10.675 -1.103 1.00 0.00 N ATOM 810 CA VAL A 87 -2.419 11.962 -1.659 1.00 0.00 C ATOM 811 C VAL A 87 -2.098 11.843 -3.145 1.00 0.00 C ATOM 812 O VAL A 87 -2.433 12.725 -3.935 1.00 0.00 O ATOM 813 CB VAL A 87 -1.192 12.535 -0.925 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.752 13.845 -1.560 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.498 12.726 0.553 1.00 0.00 C ATOM 0 H VAL A 87 -2.083 10.190 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.262 12.640 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.372 11.823 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.116 14.234 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.490 13.673 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.566 14.568 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.621 13.131 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.333 13.418 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.760 11.766 0.997 1.00 0.00 H new ATOM 825 N ALA A 88 -1.448 10.745 -3.518 1.00 0.00 N ATOM 826 CA ALA A 88 -1.084 10.509 -4.909 1.00 0.00 C ATOM 827 C ALA A 88 -2.323 10.416 -5.793 1.00 0.00 C ATOM 828 O ALA A 88 -2.297 10.809 -6.958 1.00 0.00 O ATOM 829 CB ALA A 88 -0.252 9.240 -5.028 1.00 0.00 C ATOM 0 H ALA A 88 -1.163 10.005 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.488 11.355 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.013 9.075 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.657 9.344 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.829 8.391 -4.662 1.00 0.00 H new ATOM 835 N GLY A 89 -3.408 9.893 -5.230 1.00 0.00 N ATOM 836 CA GLY A 89 -4.642 9.757 -5.982 1.00 0.00 C ATOM 837 C GLY A 89 -4.914 8.325 -6.396 1.00 0.00 C ATOM 838 O GLY A 89 -5.482 8.076 -7.460 1.00 0.00 O ATOM 0 H GLY A 89 -3.455 9.561 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.473 10.122 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.593 10.386 -6.871 1.00 0.00 H new ATOM 842 N LEU A 90 -4.508 7.380 -5.555 1.00 0.00 N ATOM 843 CA LEU A 90 -4.710 5.964 -5.840 1.00 0.00 C ATOM 844 C LEU A 90 -5.470 5.283 -4.705 1.00 0.00 C ATOM 845 O LEU A 90 -5.664 5.864 -3.637 1.00 0.00 O ATOM 846 CB LEU A 90 -3.364 5.270 -6.056 1.00 0.00 C ATOM 847 CG LEU A 90 -2.568 5.716 -7.283 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.151 5.168 -7.228 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.265 5.272 -8.561 1.00 0.00 C ATOM 0 H LEU A 90 -4.037 7.569 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.304 5.883 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.749 5.431 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.539 4.197 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.514 6.805 -7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.600 5.496 -8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.653 5.536 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.183 4.079 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.685 5.598 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.350 4.185 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.260 5.714 -8.605 1.00 0.00 H new ATOM 861 N THR A 91 -5.896 4.047 -4.944 1.00 0.00 N ATOM 862 CA THR A 91 -6.633 3.286 -3.943 1.00 0.00 C ATOM 863 C THR A 91 -5.686 2.497 -3.045 1.00 0.00 C ATOM 864 O THR A 91 -4.797 1.797 -3.528 1.00 0.00 O ATOM 865 CB THR A 91 -7.630 2.313 -4.599 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.529 3.032 -5.450 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.421 1.555 -3.543 1.00 0.00 C ATOM 0 H THR A 91 -5.743 3.551 -5.822 1.00 0.00 H new ATOM 0 HA THR A 91 -7.184 4.008 -3.340 1.00 0.00 H new ATOM 0 HB THR A 91 -7.065 1.595 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.452 2.775 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.119 0.874 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.736 0.985 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.975 2.262 -2.926 1.00 0.00 H new ATOM 875 N SER A 92 -5.885 2.615 -1.736 1.00 0.00 N ATOM 876 CA SER A 92 -5.046 1.914 -0.770 1.00 0.00 C ATOM 877 C SER A 92 -5.870 0.926 0.049 1.00 0.00 C ATOM 878 O SER A 92 -7.009 1.209 0.422 1.00 0.00 O ATOM 879 CB SER A 92 -4.358 2.915 0.160 1.00 0.00 C ATOM 880 OG SER A 92 -5.303 3.775 0.774 1.00 0.00 O ATOM 0 H SER A 92 -6.619 3.189 -1.320 1.00 0.00 H new ATOM 0 HA SER A 92 -4.287 1.359 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.798 2.379 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.638 3.506 -0.406 1.00 0.00 H new ATOM 0 HG SER A 92 -4.838 4.404 1.364 1.00 0.00 H new ATOM 886 N PHE A 93 -5.287 -0.235 0.326 1.00 0.00 N ATOM 887 CA PHE A 93 -5.966 -1.268 1.100 1.00 0.00 C ATOM 888 C PHE A 93 -4.958 -2.183 1.789 1.00 0.00 C ATOM 889 O PHE A 93 -4.082 -2.757 1.142 1.00 0.00 O ATOM 890 CB PHE A 93 -6.885 -2.092 0.195 1.00 0.00 C ATOM 891 CG PHE A 93 -8.233 -1.467 -0.019 1.00 0.00 C ATOM 892 CD1 PHE A 93 -9.155 -1.405 1.015 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.580 -0.940 -1.252 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.397 -0.831 0.820 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.821 -0.364 -1.452 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.730 -0.309 -0.414 1.00 0.00 C ATOM 0 H PHE A 93 -4.345 -0.485 0.026 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.567 -0.777 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.400 -2.231 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.018 -3.082 0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.900 -1.810 1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.873 -0.979 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -11.107 -0.791 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.079 0.042 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.700 0.141 -0.567 1.00 0.00 H new ATOM 906 N SER A 94 -5.089 -2.313 3.105 1.00 0.00 N ATOM 907 CA SER A 94 -4.188 -3.154 3.884 1.00 0.00 C ATOM 908 C SER A 94 -4.737 -4.572 4.005 1.00 0.00 C ATOM 909 O SER A 94 -5.783 -4.795 4.617 1.00 0.00 O ATOM 910 CB SER A 94 -3.973 -2.557 5.276 1.00 0.00 C ATOM 911 OG SER A 94 -3.382 -1.272 5.194 1.00 0.00 O ATOM 0 H SER A 94 -5.811 -1.846 3.654 1.00 0.00 H new ATOM 0 HA SER A 94 -3.231 -3.197 3.364 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.928 -2.489 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.335 -3.217 5.864 1.00 0.00 H new ATOM 0 HG SER A 94 -3.993 -0.606 5.572 1.00 0.00 H new ATOM 917 N PHE A 95 -4.025 -5.528 3.418 1.00 0.00 N ATOM 918 CA PHE A 95 -4.441 -6.925 3.459 1.00 0.00 C ATOM 919 C PHE A 95 -3.387 -7.786 4.150 1.00 0.00 C ATOM 920 O PHE A 95 -2.220 -7.788 3.763 1.00 0.00 O ATOM 921 CB PHE A 95 -4.693 -7.446 2.043 1.00 0.00 C ATOM 922 CG PHE A 95 -5.763 -6.691 1.308 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.048 -6.611 1.818 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.483 -6.059 0.107 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.035 -5.917 1.143 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.465 -5.364 -0.573 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.743 -5.292 -0.053 1.00 0.00 C ATOM 0 H PHE A 95 -3.157 -5.361 2.908 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.367 -6.986 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.765 -7.391 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.973 -8.498 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.282 -7.096 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.485 -6.110 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.034 -5.864 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.234 -4.878 -1.509 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.512 -4.748 -0.581 1.00 0.00 H new ATOM 937 N GLY A 96 -3.810 -8.518 5.177 1.00 0.00 N ATOM 938 CA GLY A 96 -2.891 -9.372 5.907 1.00 0.00 C ATOM 939 C GLY A 96 -3.496 -10.722 6.240 1.00 0.00 C ATOM 940 O GLY A 96 -4.605 -10.799 6.765 1.00 0.00 O ATOM 0 H GLY A 96 -4.772 -8.535 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.987 -9.518 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.591 -8.874 6.829 1.00 0.00 H new ATOM 944 N GLU A 97 -2.764 -11.788 5.931 1.00 0.00 N ATOM 945 CA GLU A 97 -3.237 -13.141 6.199 1.00 0.00 C ATOM 946 C GLU A 97 -3.155 -13.461 7.689 1.00 0.00 C ATOM 947 O GLU A 97 -3.938 -14.257 8.208 1.00 0.00 O ATOM 948 CB GLU A 97 -2.419 -14.159 5.402 1.00 0.00 C ATOM 949 CG GLU A 97 -0.947 -14.185 5.778 1.00 0.00 C ATOM 950 CD GLU A 97 -0.145 -13.110 5.070 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.023 -13.211 3.836 1.00 0.00 O ATOM 952 OE2 GLU A 97 0.314 -12.167 5.748 1.00 0.00 O ATOM 0 H GLU A 97 -1.843 -11.741 5.496 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.280 -13.201 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.842 -15.152 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.510 -13.934 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.849 -14.056 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.531 -15.163 5.535 1.00 0.00 H new ATOM 959 N ASP A 98 -2.201 -12.837 8.370 1.00 0.00 N ATOM 960 CA ASP A 98 -2.015 -13.053 9.800 1.00 0.00 C ATOM 961 C ASP A 98 -2.025 -11.729 10.557 1.00 0.00 C ATOM 962 O ASP A 98 -2.140 -10.660 9.956 1.00 0.00 O ATOM 963 CB ASP A 98 -0.702 -13.793 10.059 1.00 0.00 C ATOM 964 CG ASP A 98 -0.763 -15.248 9.637 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.229 -15.519 8.511 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.347 -16.115 10.433 1.00 0.00 O ATOM 0 H ASP A 98 -1.544 -12.177 7.955 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.844 -13.662 10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.104 -13.295 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.459 -13.736 11.120 1.00 0.00 H new ATOM 971 N ASP A 99 -1.905 -11.806 11.877 1.00 0.00 N ATOM 972 CA ASP A 99 -1.901 -10.614 12.716 1.00 0.00 C ATOM 973 C ASP A 99 -0.491 -10.046 12.845 1.00 0.00 C ATOM 974 O ASP A 99 -0.281 -8.841 12.705 1.00 0.00 O ATOM 975 CB ASP A 99 -2.463 -10.936 14.102 1.00 0.00 C ATOM 976 CG ASP A 99 -2.200 -9.830 15.105 1.00 0.00 C ATOM 977 OD1 ASP A 99 -1.040 -9.691 15.545 1.00 0.00 O ATOM 978 OD2 ASP A 99 -3.155 -9.103 15.449 1.00 0.00 O ATOM 0 H ASP A 99 -1.809 -12.682 12.390 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.534 -9.864 12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.537 -11.105 14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.020 -11.864 14.464 1.00 0.00 H new ATOM 983 N ASP A 100 0.472 -10.921 13.114 1.00 0.00 N ATOM 984 CA ASP A 100 1.862 -10.507 13.263 1.00 0.00 C ATOM 985 C ASP A 100 2.383 -9.879 11.974 1.00 0.00 C ATOM 986 O ASP A 100 3.085 -8.868 12.004 1.00 0.00 O ATOM 987 CB ASP A 100 2.734 -11.703 13.651 1.00 0.00 C ATOM 988 CG ASP A 100 2.158 -12.486 14.814 1.00 0.00 C ATOM 989 OD1 ASP A 100 2.120 -11.940 15.937 1.00 0.00 O ATOM 990 OD2 ASP A 100 1.744 -13.645 14.601 1.00 0.00 O ATOM 0 H ASP A 100 0.315 -11.922 13.233 1.00 0.00 H new ATOM 0 HA ASP A 100 1.910 -9.760 14.055 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.843 -12.363 12.791 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.732 -11.352 13.912 1.00 0.00 H new ATOM 995 N CYS A 101 2.035 -10.485 10.844 1.00 0.00 N ATOM 996 CA CYS A 101 2.468 -9.986 9.544 1.00 0.00 C ATOM 997 C CYS A 101 1.313 -9.319 8.805 1.00 0.00 C ATOM 998 O CYS A 101 0.327 -9.968 8.459 1.00 0.00 O ATOM 999 CB CYS A 101 3.037 -11.128 8.700 1.00 0.00 C ATOM 1000 SG CYS A 101 4.447 -11.972 9.455 1.00 0.00 S ATOM 0 H CYS A 101 1.454 -11.322 10.802 1.00 0.00 H new ATOM 0 HA CYS A 101 3.247 -9.242 9.709 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.248 -11.857 8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 101 3.340 -10.733 7.730 1.00 0.00 H new ATOM 0 HG CYS A 101 4.856 -12.922 8.668 1.00 0.00 H new ATOM 1006 N ARG A 102 1.443 -8.017 8.568 1.00 0.00 N ATOM 1007 CA ARG A 102 0.409 -7.261 7.873 1.00 0.00 C ATOM 1008 C ARG A 102 1.010 -6.427 6.745 1.00 0.00 C ATOM 1009 O ARG A 102 1.645 -5.400 6.989 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.334 -6.351 8.853 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.446 -7.055 9.614 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.233 -6.082 10.477 1.00 0.00 C ATOM 1013 NE ARG A 102 -1.621 -5.898 11.791 1.00 0.00 N ATOM 1014 CZ ARG A 102 -1.897 -4.875 12.593 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -2.769 -3.950 12.217 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -1.299 -4.777 13.773 1.00 0.00 N ATOM 0 H ARG A 102 2.254 -7.465 8.847 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.296 -7.971 7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.380 -5.940 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.757 -5.509 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.118 -7.543 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.020 -7.837 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.299 -5.119 9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.252 -6.449 10.600 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.945 -6.592 12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.230 -4.022 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.979 -3.166 12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.627 -5.487 14.065 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.511 -3.992 14.388 1.00 0.00 H new ATOM 1030 N TYR A 103 0.806 -6.875 5.512 1.00 0.00 N ATOM 1031 CA TYR A 103 1.331 -6.173 4.347 1.00 0.00 C ATOM 1032 C TYR A 103 0.326 -5.146 3.831 1.00 0.00 C ATOM 1033 O TYR A 103 -0.848 -5.171 4.200 1.00 0.00 O ATOM 1034 CB TYR A 103 1.675 -7.168 3.237 1.00 0.00 C ATOM 1035 CG TYR A 103 0.472 -7.896 2.682 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.339 -7.306 1.720 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.146 -9.174 3.120 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.440 -7.968 1.210 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.952 -9.843 2.615 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.742 -9.236 1.661 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.837 -9.899 1.155 1.00 0.00 O ATOM 0 H TYR A 103 0.281 -7.721 5.293 1.00 0.00 H new ATOM 0 HA TYR A 103 2.237 -5.648 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.174 -6.637 2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.385 -7.899 3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.105 -6.313 1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.761 -9.652 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.060 -7.495 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.191 -10.836 2.965 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.909 -10.781 1.576 1.00 0.00 H new ATOM 1051 N VAL A 104 0.797 -4.245 2.975 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.059 -3.211 2.407 1.00 0.00 C ATOM 1053 C VAL A 104 -0.131 -3.330 0.889 1.00 0.00 C ATOM 1054 O VAL A 104 0.883 -3.543 0.224 1.00 0.00 O ATOM 1055 CB VAL A 104 0.443 -1.802 2.777 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.878 -1.606 2.312 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.469 -0.739 2.181 1.00 0.00 C ATOM 0 H VAL A 104 1.766 -4.210 2.660 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.054 -3.357 2.828 1.00 0.00 H new ATOM 0 HB VAL A 104 0.422 -1.701 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.215 -0.605 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.520 -2.346 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.929 -1.726 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.100 0.250 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.481 -0.837 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.480 -0.868 2.568 1.00 0.00 H new ATOM 1067 N MET A 105 -1.336 -3.191 0.346 1.00 0.00 N ATOM 1068 CA MET A 105 -1.540 -3.281 -1.095 1.00 0.00 C ATOM 1069 C MET A 105 -2.214 -2.022 -1.629 1.00 0.00 C ATOM 1070 O MET A 105 -2.853 -1.283 -0.879 1.00 0.00 O ATOM 1071 CB MET A 105 -2.385 -4.510 -1.435 1.00 0.00 C ATOM 1072 CG MET A 105 -1.572 -5.785 -1.585 1.00 0.00 C ATOM 1073 SD MET A 105 -2.565 -7.181 -2.150 1.00 0.00 S ATOM 1074 CE MET A 105 -2.624 -6.863 -3.911 1.00 0.00 C ATOM 0 H MET A 105 -2.186 -3.016 0.882 1.00 0.00 H new ATOM 0 HA MET A 105 -0.564 -3.377 -1.570 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.131 -4.655 -0.654 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.926 -4.323 -2.362 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.760 -5.612 -2.291 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.114 -6.034 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.599 -7.155 -4.301 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.463 -5.801 -4.094 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.846 -7.439 -4.411 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.068 -1.783 -2.928 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.664 -0.613 -3.560 1.00 0.00 C ATOM 1086 C ILE A 106 -3.206 -0.953 -4.945 1.00 0.00 C ATOM 1087 O ILE A 106 -2.662 -1.809 -5.643 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.647 0.537 -3.688 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.512 0.141 -4.634 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -1.097 0.912 -2.320 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.145 1.321 -5.317 1.00 0.00 C ATOM 0 H ILE A 106 -1.542 -2.384 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.485 -0.292 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.155 1.407 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.243 -0.410 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.902 -0.537 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.380 1.726 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.915 1.232 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.602 0.048 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.940 0.966 -5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.597 1.860 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.566 1.989 -4.565 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.280 -0.275 -5.336 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.896 -0.504 -6.638 1.00 0.00 C ATOM 1105 C PHE A 107 -5.106 0.813 -7.379 1.00 0.00 C ATOM 1106 O PHE A 107 -5.081 1.888 -6.780 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.233 -1.229 -6.472 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.096 -2.626 -5.940 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.622 -2.850 -4.657 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.442 -3.716 -6.722 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.494 -4.135 -4.166 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.317 -5.004 -6.235 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.843 -5.214 -4.955 1.00 0.00 C ATOM 0 H PHE A 107 -4.742 0.437 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.223 -1.128 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.868 -0.653 -5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.740 -1.264 -7.436 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.350 -2.011 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.814 -3.558 -7.724 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.121 -4.296 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.590 -5.845 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.745 -6.219 -4.572 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.313 0.721 -8.689 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.529 1.903 -9.515 1.00 0.00 C ATOM 1125 C LYS A 108 -6.978 2.370 -9.428 1.00 0.00 C ATOM 1126 O LYS A 108 -7.831 1.681 -8.867 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.163 1.606 -10.971 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.711 1.901 -11.306 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.472 1.892 -12.806 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.257 2.726 -13.181 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.051 2.774 -14.656 1.00 0.00 N ATOM 0 H LYS A 108 -5.336 -0.161 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.887 2.700 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.370 0.557 -11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.805 2.195 -11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.433 2.873 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.069 1.160 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.330 0.866 -13.147 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.353 2.279 -13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.380 3.739 -12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.370 2.310 -12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.127 3.204 -14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.078 1.809 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.804 3.343 -15.093 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.251 3.543 -9.988 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.598 4.102 -9.978 1.00 0.00 C ATOM 1147 C LYS A 109 -9.576 3.179 -10.697 1.00 0.00 C ATOM 1148 O LYS A 109 -10.607 2.799 -10.142 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.605 5.483 -10.637 1.00 0.00 C ATOM 1150 CG LYS A 109 -9.950 6.184 -10.567 1.00 0.00 C ATOM 1151 CD LYS A 109 -9.944 7.482 -11.356 1.00 0.00 C ATOM 1152 CE LYS A 109 -9.288 8.608 -10.572 1.00 0.00 C ATOM 1153 NZ LYS A 109 -10.135 9.058 -9.433 1.00 0.00 N ATOM 0 H LYS A 109 -6.557 4.126 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.915 4.200 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.853 6.109 -10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.313 5.379 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.726 5.524 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.200 6.391 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.413 7.335 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.967 7.761 -11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.321 8.273 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.097 9.450 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.799 9.982 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.123 9.143 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.076 8.364 -8.661 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.245 2.821 -11.933 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.095 1.941 -12.727 1.00 0.00 C ATOM 1169 C GLU A 110 -9.992 0.499 -12.239 1.00 0.00 C ATOM 1170 O GLU A 110 -10.989 -0.219 -12.175 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.708 2.019 -14.206 1.00 0.00 C ATOM 1172 CG GLU A 110 -9.826 3.415 -14.793 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.260 3.797 -15.105 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.033 4.029 -14.151 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -11.610 3.865 -16.301 1.00 0.00 O ATOM 0 H GLU A 110 -8.395 3.126 -12.407 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.127 2.273 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.682 1.670 -14.323 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.343 1.340 -14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.406 4.137 -14.092 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.232 3.473 -15.705 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.777 0.082 -11.895 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.542 -1.274 -11.414 1.00 0.00 C ATOM 1184 C PHE A 111 -8.726 -1.354 -9.901 1.00 0.00 C ATOM 1185 O PHE A 111 -8.269 -2.299 -9.259 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.134 -1.736 -11.793 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.843 -1.627 -13.263 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -6.316 -0.461 -13.794 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -7.097 -2.692 -14.113 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.047 -0.358 -15.146 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -6.829 -2.595 -15.465 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.305 -1.426 -15.983 1.00 0.00 C ATOM 0 H PHE A 111 -7.941 0.664 -11.941 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.272 -1.932 -11.886 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.405 -1.143 -11.241 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.004 -2.772 -11.481 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.113 0.377 -13.144 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.509 -3.607 -13.714 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.636 0.556 -15.547 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -7.029 -3.433 -16.117 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.098 -1.348 -17.040 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.397 -0.354 -9.339 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.643 -0.311 -7.903 1.00 0.00 C ATOM 1204 C ALA A 112 -10.659 -1.368 -7.488 1.00 0.00 C ATOM 1205 O ALA A 112 -11.603 -1.677 -8.216 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.120 1.074 -7.491 1.00 0.00 C ATOM 0 H ALA A 112 -9.780 0.437 -9.856 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.705 -0.527 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.300 1.092 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.358 1.811 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.044 1.312 -8.018 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.464 -1.940 -6.290 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.354 -2.972 -5.751 1.00 0.00 C ATOM 1214 C PRO A 113 -12.724 -2.418 -5.373 1.00 0.00 C ATOM 1215 O PRO A 113 -12.867 -1.227 -5.096 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.614 -3.464 -4.505 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.757 -2.316 -4.096 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.360 -1.621 -5.369 1.00 0.00 C ATOM 0 HA PRO A 113 -11.557 -3.756 -6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.311 -3.740 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.014 -4.348 -4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.300 -1.640 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.879 -2.660 -3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.255 -0.546 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.404 -1.986 -5.745 1.00 0.00 H new ATOM 1226 N SER A 114 -13.728 -3.289 -5.364 1.00 0.00 N ATOM 1227 CA SER A 114 -15.087 -2.885 -5.023 1.00 0.00 C ATOM 1228 C SER A 114 -15.419 -3.260 -3.582 1.00 0.00 C ATOM 1229 O SER A 114 -14.708 -4.043 -2.952 1.00 0.00 O ATOM 1230 CB SER A 114 -16.090 -3.538 -5.976 1.00 0.00 C ATOM 1231 OG SER A 114 -16.317 -2.723 -7.113 1.00 0.00 O ATOM 0 H SER A 114 -13.626 -4.279 -5.589 1.00 0.00 H new ATOM 0 HA SER A 114 -15.154 -1.802 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.716 -4.512 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.032 -3.712 -5.455 1.00 0.00 H new ATOM 0 HG SER A 114 -16.960 -3.163 -7.708 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.506 -2.695 -3.066 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.935 -2.970 -1.700 1.00 0.00 C ATOM 1239 C ASP A 115 -17.067 -4.471 -1.463 1.00 0.00 C ATOM 1240 O ASP A 115 -16.305 -5.056 -0.693 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.268 -2.277 -1.412 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.219 -0.788 -1.694 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -18.499 -0.393 -2.845 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -17.900 -0.018 -0.764 1.00 0.00 O ATOM 0 H ASP A 115 -17.105 -2.044 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.177 -2.579 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -19.050 -2.733 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.540 -2.438 -0.369 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.038 -5.087 -2.129 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.270 -6.520 -1.989 1.00 0.00 C ATOM 1251 C GLU A 116 -16.988 -7.307 -2.249 1.00 0.00 C ATOM 1252 O GLU A 116 -16.666 -8.246 -1.522 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.367 -6.978 -2.951 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.762 -6.543 -2.536 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.402 -7.499 -1.548 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.751 -7.830 -0.535 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.554 -7.916 -1.788 1.00 0.00 O ATOM 0 H GLU A 116 -18.677 -4.617 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.592 -6.712 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.154 -6.585 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.342 -8.065 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.711 -5.548 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.393 -6.466 -3.422 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.262 -6.915 -3.292 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.017 -7.584 -3.649 1.00 0.00 C ATOM 1266 C GLU A 117 -13.998 -7.478 -2.518 1.00 0.00 C ATOM 1267 O GLU A 117 -13.235 -8.411 -2.264 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.438 -6.982 -4.930 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.427 -6.936 -6.083 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.924 -8.312 -6.480 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -15.195 -9.019 -7.207 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -17.042 -8.683 -6.064 1.00 0.00 O ATOM 0 H GLU A 117 -16.515 -6.139 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.237 -8.638 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.090 -5.971 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.567 -7.563 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.277 -6.314 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.955 -6.462 -6.943 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.992 -6.335 -1.842 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.067 -6.104 -0.737 1.00 0.00 C ATOM 1281 C LEU A 118 -13.315 -7.094 0.396 1.00 0.00 C ATOM 1282 O LEU A 118 -12.383 -7.722 0.900 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.207 -4.672 -0.218 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.499 -3.590 -1.034 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.057 -2.216 -0.697 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.998 -3.634 -0.787 1.00 0.00 C ATOM 0 H LEU A 118 -14.617 -5.553 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.053 -6.251 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.268 -4.427 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.825 -4.638 0.802 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.679 -3.782 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.541 -1.459 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.123 -2.190 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.908 -2.013 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.510 -2.857 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.798 -3.467 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.610 -4.609 -1.080 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.576 -7.230 0.791 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.947 -8.147 1.862 1.00 0.00 C ATOM 1300 C ASP A 119 -14.542 -9.577 1.519 1.00 0.00 C ATOM 1301 O ASP A 119 -14.069 -10.322 2.377 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.453 -8.078 2.122 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.842 -8.717 3.441 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.025 -8.677 4.385 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.965 -9.256 3.530 1.00 0.00 O ATOM 0 H ASP A 119 -15.359 -6.717 0.385 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.416 -7.846 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.772 -7.036 2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.982 -8.576 1.310 1.00 0.00 H new ATOM 1310 N SER A 120 -14.733 -9.954 0.259 1.00 0.00 N ATOM 1311 CA SER A 120 -14.392 -11.297 -0.197 1.00 0.00 C ATOM 1312 C SER A 120 -12.880 -11.470 -0.293 1.00 0.00 C ATOM 1313 O SER A 120 -12.339 -12.513 0.075 1.00 0.00 O ATOM 1314 CB SER A 120 -15.037 -11.576 -1.556 1.00 0.00 C ATOM 1315 OG SER A 120 -16.357 -12.067 -1.404 1.00 0.00 O ATOM 0 H SER A 120 -15.122 -9.349 -0.464 1.00 0.00 H new ATOM 0 HA SER A 120 -14.776 -12.010 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.052 -10.662 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.437 -12.302 -2.104 1.00 0.00 H new ATOM 0 HG SER A 120 -16.747 -12.236 -2.287 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.203 -10.442 -0.792 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.753 -10.480 -0.939 1.00 0.00 C ATOM 1323 C TYR A 121 -10.080 -10.838 0.382 1.00 0.00 C ATOM 1324 O TYR A 121 -9.167 -11.662 0.423 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.235 -9.131 -1.440 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.361 -8.950 -2.936 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.785 -9.859 -3.815 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.055 -7.872 -3.469 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.897 -9.698 -5.183 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.174 -7.704 -4.835 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.593 -8.619 -5.688 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.707 -8.454 -7.049 1.00 0.00 O ATOM 0 H TYR A 121 -12.635 -9.572 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.508 -11.250 -1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.782 -8.333 -0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.188 -9.026 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.241 -10.705 -3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.510 -7.152 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.442 -10.413 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.719 -6.861 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.228 -7.646 -7.238 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.539 -10.211 1.461 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.982 -10.462 2.785 1.00 0.00 C ATOM 1344 C ARG A 122 -10.386 -11.844 3.291 1.00 0.00 C ATOM 1345 O ARG A 122 -9.563 -12.582 3.833 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.449 -9.389 3.770 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.786 -8.038 3.558 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.270 -7.015 4.574 1.00 0.00 C ATOM 1349 NE ARG A 122 -9.728 -5.684 4.311 1.00 0.00 N ATOM 1350 CZ ARG A 122 -9.723 -4.703 5.207 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.226 -4.903 6.417 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -9.212 -3.519 4.892 1.00 0.00 N ATOM 0 H ARG A 122 -11.295 -9.526 1.444 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.895 -10.426 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.529 -9.272 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.247 -9.728 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.704 -8.146 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.999 -7.681 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.359 -6.973 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -9.980 -7.333 5.575 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.332 -5.498 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -10.618 -5.812 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.221 -4.148 7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -8.823 -3.362 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -9.208 -2.766 5.580 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.657 -12.186 3.112 1.00 0.00 N ATOM 1367 CA ARG A 123 -12.170 -13.477 3.553 1.00 0.00 C ATOM 1368 C ARG A 123 -11.420 -14.620 2.875 1.00 0.00 C ATOM 1369 O ARG A 123 -11.290 -15.708 3.434 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.666 -13.585 3.251 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.544 -12.853 4.252 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.624 -13.600 5.574 1.00 0.00 C ATOM 1373 NE ARG A 123 -15.336 -14.868 5.444 1.00 0.00 N ATOM 1374 CZ ARG A 123 -14.742 -16.018 5.143 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -13.431 -16.057 4.944 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -15.458 -17.130 5.042 1.00 0.00 N ATOM 0 H ARG A 123 -12.351 -11.587 2.665 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.017 -13.552 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.856 -13.187 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.949 -14.637 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -14.147 -11.852 4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.546 -12.733 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.617 -13.786 5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -15.127 -12.976 6.313 1.00 0.00 H new ATOM 0 HE ARG A 123 -16.345 -14.871 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -12.878 -15.204 5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -12.976 -16.940 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.466 -17.103 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.001 -18.012 4.811 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.928 -14.364 1.667 1.00 0.00 N ATOM 1391 CA GLY A 124 -10.197 -15.381 0.933 1.00 0.00 C ATOM 1392 C GLY A 124 -8.786 -15.570 1.453 1.00 0.00 C ATOM 1393 O GLY A 124 -8.352 -14.861 2.361 1.00 0.00 O ATOM 0 H GLY A 124 -11.022 -13.471 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.734 -16.327 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.159 -15.107 -0.121 1.00 0.00 H new ATOM 1397 N SER A 125 -8.068 -16.528 0.876 1.00 0.00 N ATOM 1398 CA SER A 125 -6.699 -16.812 1.291 1.00 0.00 C ATOM 1399 C SER A 125 -5.780 -15.638 0.968 1.00 0.00 C ATOM 1400 O SER A 125 -5.155 -15.061 1.858 1.00 0.00 O ATOM 1401 CB SER A 125 -6.187 -18.079 0.602 1.00 0.00 C ATOM 1402 OG SER A 125 -6.559 -19.239 1.327 1.00 0.00 O ATOM 0 H SER A 125 -8.411 -17.121 0.120 1.00 0.00 H new ATOM 0 HA SER A 125 -6.697 -16.968 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.589 -18.134 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.102 -18.035 0.512 1.00 0.00 H new ATOM 0 HG SER A 125 -6.222 -20.035 0.866 1.00 0.00 H new ATOM 1408 N GLY A 126 -5.702 -15.289 -0.313 1.00 0.00 N ATOM 1409 CA GLY A 126 -4.857 -14.186 -0.731 1.00 0.00 C ATOM 1410 C GLY A 126 -3.532 -14.654 -1.299 1.00 0.00 C ATOM 1411 O GLY A 126 -2.969 -15.661 -0.869 1.00 0.00 O ATOM 0 H GLY A 126 -6.209 -15.751 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.382 -13.594 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.673 -13.531 0.120 1.00 0.00 H new ATOM 1415 N PRO A 127 -3.014 -13.913 -2.290 1.00 0.00 N ATOM 1416 CA PRO A 127 -1.741 -14.239 -2.939 1.00 0.00 C ATOM 1417 C PRO A 127 -0.546 -14.019 -2.017 1.00 0.00 C ATOM 1418 O PRO A 127 -0.687 -13.470 -0.924 1.00 0.00 O ATOM 1419 CB PRO A 127 -1.688 -13.271 -4.124 1.00 0.00 C ATOM 1420 CG PRO A 127 -2.540 -12.121 -3.710 1.00 0.00 C ATOM 1421 CD PRO A 127 -3.630 -12.700 -2.852 1.00 0.00 C ATOM 0 HA PRO A 127 -1.688 -15.289 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -0.666 -12.953 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.066 -13.737 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.958 -11.384 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.957 -11.611 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -3.937 -12.006 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -4.519 -12.935 -3.437 1.00 0.00 H new ATOM 1429 N SER A 128 0.629 -14.449 -2.466 1.00 0.00 N ATOM 1430 CA SER A 128 1.848 -14.301 -1.679 1.00 0.00 C ATOM 1431 C SER A 128 3.069 -14.182 -2.586 1.00 0.00 C ATOM 1432 O SER A 128 3.033 -14.583 -3.749 1.00 0.00 O ATOM 1433 CB SER A 128 2.016 -15.490 -0.732 1.00 0.00 C ATOM 1434 OG SER A 128 1.306 -15.284 0.477 1.00 0.00 O ATOM 0 H SER A 128 0.763 -14.902 -3.370 1.00 0.00 H new ATOM 0 HA SER A 128 1.763 -13.387 -1.091 1.00 0.00 H new ATOM 0 HB2 SER A 128 1.659 -16.398 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.074 -15.640 -0.515 1.00 0.00 H new ATOM 0 HG SER A 128 0.547 -14.686 0.313 1.00 0.00 H new ATOM 1440 N SER A 129 4.148 -13.626 -2.045 1.00 0.00 N ATOM 1441 CA SER A 129 5.380 -13.450 -2.805 1.00 0.00 C ATOM 1442 C SER A 129 6.597 -13.810 -1.959 1.00 0.00 C ATOM 1443 O SER A 129 6.633 -13.544 -0.758 1.00 0.00 O ATOM 1444 CB SER A 129 5.497 -12.007 -3.299 1.00 0.00 C ATOM 1445 OG SER A 129 5.669 -11.109 -2.216 1.00 0.00 O ATOM 0 H SER A 129 4.194 -13.290 -1.083 1.00 0.00 H new ATOM 0 HA SER A 129 5.346 -14.120 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 129 6.341 -11.921 -3.984 1.00 0.00 H new ATOM 0 HB3 SER A 129 4.602 -11.738 -3.860 1.00 0.00 H new ATOM 0 HG SER A 129 5.743 -10.194 -2.559 1.00 0.00 H new ATOM 1451 N GLY A 130 7.594 -14.419 -2.595 1.00 0.00 N ATOM 1452 CA GLY A 130 8.799 -14.806 -1.887 1.00 0.00 C ATOM 1453 C GLY A 130 9.589 -15.869 -2.625 1.00 0.00 C ATOM 1454 O GLY A 130 10.649 -15.587 -3.184 1.00 0.00 O ATOM 0 H GLY A 130 7.588 -14.651 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.428 -13.928 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.532 -15.177 -0.898 1.00 0.00 H new TER 1458 GLY A 130