USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 702 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 46:sc= 0.294 USER MOD Single : A 11 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.017) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000567) USER MOD Single : A 17 ASN : amide:sc= -4.45 K(o=-4.5,f=-6.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -1.87 USER MOD Single : A 27 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.2) USER MOD Single : A 34 TYR OH : rot 0:sc= -0.32 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.452 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 57 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.73) USER MOD Single : A 59 ASN : amide:sc= 0.721 K(o=0.72,f=-9.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= 1.06 USER MOD Single : A 64 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=-0.025) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 140:sc= -1.59 (180deg=-2.74!) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 84 SER OG : rot 37:sc= 1.08 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.533 21.775 -3.485 1.00 0.00 N ATOM 2 CA GLY A 1 -3.213 21.621 -4.895 1.00 0.00 C ATOM 3 C GLY A 1 -2.775 20.189 -5.205 1.00 0.00 C ATOM 4 O GLY A 1 -3.473 19.235 -4.865 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.827 22.755 -3.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.307 21.128 -3.232 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.694 21.552 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.083 21.878 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.419 22.315 -5.169 1.00 0.00 H new ATOM 8 N SER A 2 -1.620 20.083 -5.847 1.00 0.00 N ATOM 9 CA SER A 2 -1.081 18.783 -6.206 1.00 0.00 C ATOM 10 C SER A 2 -2.001 18.096 -7.216 1.00 0.00 C ATOM 11 O SER A 2 -2.856 17.296 -6.839 1.00 0.00 O ATOM 12 CB SER A 2 -0.898 17.901 -4.969 1.00 0.00 C ATOM 13 OG SER A 2 0.396 17.304 -4.925 1.00 0.00 O ATOM 0 H SER A 2 -1.043 20.876 -6.127 1.00 0.00 H new ATOM 0 HA SER A 2 -0.101 18.933 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.052 18.500 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.658 17.120 -4.965 1.00 0.00 H new ATOM 0 HG SER A 2 0.474 16.750 -4.120 1.00 0.00 H new ATOM 19 N SER A 3 -1.794 18.432 -8.482 1.00 0.00 N ATOM 20 CA SER A 3 -2.594 17.857 -9.549 1.00 0.00 C ATOM 21 C SER A 3 -1.724 16.956 -10.428 1.00 0.00 C ATOM 22 O SER A 3 -1.210 17.394 -11.456 1.00 0.00 O ATOM 23 CB SER A 3 -3.250 18.950 -10.395 1.00 0.00 C ATOM 24 OG SER A 3 -4.349 18.452 -11.153 1.00 0.00 O ATOM 0 H SER A 3 -1.084 19.095 -8.792 1.00 0.00 H new ATOM 0 HA SER A 3 -3.386 17.259 -9.099 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.593 19.755 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.509 19.380 -11.070 1.00 0.00 H new ATOM 0 HG SER A 3 -4.741 19.181 -11.678 1.00 0.00 H new ATOM 30 N GLY A 4 -1.586 15.712 -9.991 1.00 0.00 N ATOM 31 CA GLY A 4 -0.788 14.745 -10.726 1.00 0.00 C ATOM 32 C GLY A 4 0.210 14.044 -9.801 1.00 0.00 C ATOM 33 O GLY A 4 -0.139 13.654 -8.689 1.00 0.00 O ATOM 0 H GLY A 4 -2.013 15.352 -9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.441 14.006 -11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.252 15.247 -11.532 1.00 0.00 H new ATOM 37 N SER A 5 1.430 13.905 -10.297 1.00 0.00 N ATOM 38 CA SER A 5 2.481 13.257 -9.530 1.00 0.00 C ATOM 39 C SER A 5 2.087 11.811 -9.222 1.00 0.00 C ATOM 40 O SER A 5 1.167 11.567 -8.443 1.00 0.00 O ATOM 41 CB SER A 5 2.765 14.018 -8.233 1.00 0.00 C ATOM 42 OG SER A 5 3.790 14.994 -8.400 1.00 0.00 O ATOM 0 H SER A 5 1.715 14.230 -11.221 1.00 0.00 H new ATOM 0 HA SER A 5 3.393 13.259 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.852 14.506 -7.892 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.059 13.313 -7.456 1.00 0.00 H new ATOM 0 HG SER A 5 3.940 15.459 -7.551 1.00 0.00 H new ATOM 48 N SER A 6 2.804 10.890 -9.849 1.00 0.00 N ATOM 49 CA SER A 6 2.542 9.474 -9.652 1.00 0.00 C ATOM 50 C SER A 6 3.514 8.901 -8.620 1.00 0.00 C ATOM 51 O SER A 6 4.649 8.562 -8.952 1.00 0.00 O ATOM 52 CB SER A 6 2.651 8.705 -10.970 1.00 0.00 C ATOM 53 OG SER A 6 3.872 8.984 -11.650 1.00 0.00 O ATOM 0 H SER A 6 3.567 11.097 -10.494 1.00 0.00 H new ATOM 0 HA SER A 6 1.523 9.363 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.582 7.635 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.810 8.966 -11.613 1.00 0.00 H new ATOM 0 HG SER A 6 4.618 8.939 -11.016 1.00 0.00 H new ATOM 59 N GLY A 7 3.034 8.809 -7.388 1.00 0.00 N ATOM 60 CA GLY A 7 3.848 8.283 -6.305 1.00 0.00 C ATOM 61 C GLY A 7 3.009 7.418 -5.361 1.00 0.00 C ATOM 62 O GLY A 7 3.396 6.299 -5.029 1.00 0.00 O ATOM 0 H GLY A 7 2.092 9.090 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.667 7.692 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.296 9.106 -5.749 1.00 0.00 H new ATOM 66 N LEU A 8 1.876 7.972 -4.954 1.00 0.00 N ATOM 67 CA LEU A 8 0.980 7.266 -4.053 1.00 0.00 C ATOM 68 C LEU A 8 0.894 5.797 -4.474 1.00 0.00 C ATOM 69 O LEU A 8 1.104 4.901 -3.658 1.00 0.00 O ATOM 70 CB LEU A 8 -0.378 7.967 -3.990 1.00 0.00 C ATOM 71 CG LEU A 8 -0.370 9.397 -3.445 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.627 10.155 -3.875 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.188 9.403 -1.926 1.00 0.00 C ATOM 0 H LEU A 8 1.558 8.901 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 8 1.370 7.285 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.803 7.984 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.046 7.367 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 8 0.484 9.921 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.596 11.168 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.672 10.196 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.510 9.641 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.186 10.431 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.007 8.856 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.759 8.927 -1.671 1.00 0.00 H new ATOM 85 N ARG A 9 0.586 5.597 -5.747 1.00 0.00 N ATOM 86 CA ARG A 9 0.470 4.252 -6.286 1.00 0.00 C ATOM 87 C ARG A 9 1.571 3.355 -5.715 1.00 0.00 C ATOM 88 O ARG A 9 1.287 2.406 -4.987 1.00 0.00 O ATOM 89 CB ARG A 9 0.569 4.259 -7.813 1.00 0.00 C ATOM 90 CG ARG A 9 -0.133 3.041 -8.414 1.00 0.00 C ATOM 91 CD ARG A 9 -1.493 3.425 -9.001 1.00 0.00 C ATOM 92 NE ARG A 9 -1.347 4.603 -9.885 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.756 4.571 -11.087 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.252 3.422 -11.557 1.00 0.00 N ATOM 95 NH2 ARG A 9 -0.670 5.690 -11.821 1.00 0.00 N ATOM 0 H ARG A 9 0.413 6.343 -6.421 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.507 3.863 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.121 5.172 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.617 4.264 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.492 2.604 -9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.267 2.279 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.906 2.587 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.196 3.647 -8.198 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.720 5.495 -9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.318 2.570 -11.000 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.198 3.399 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.054 6.565 -11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.220 5.666 -12.736 1.00 0.00 H new ATOM 109 N GLU A 10 2.804 3.688 -6.068 1.00 0.00 N ATOM 110 CA GLU A 10 3.948 2.924 -5.600 1.00 0.00 C ATOM 111 C GLU A 10 3.903 2.779 -4.077 1.00 0.00 C ATOM 112 O GLU A 10 4.131 1.693 -3.547 1.00 0.00 O ATOM 113 CB GLU A 10 5.260 3.570 -6.050 1.00 0.00 C ATOM 114 CG GLU A 10 5.886 2.791 -7.209 1.00 0.00 C ATOM 115 CD GLU A 10 6.733 1.627 -6.692 1.00 0.00 C ATOM 116 OE1 GLU A 10 6.177 0.820 -5.916 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.918 1.570 -7.084 1.00 0.00 O ATOM 0 H GLU A 10 3.036 4.476 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 10 3.900 1.929 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.076 4.600 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.957 3.606 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.101 2.412 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.505 3.458 -7.808 1.00 0.00 H new ATOM 124 N GLN A 11 3.606 3.888 -3.417 1.00 0.00 N ATOM 125 CA GLN A 11 3.528 3.899 -1.967 1.00 0.00 C ATOM 126 C GLN A 11 2.495 2.879 -1.484 1.00 0.00 C ATOM 127 O GLN A 11 2.723 2.177 -0.500 1.00 0.00 O ATOM 128 CB GLN A 11 3.200 5.300 -1.445 1.00 0.00 C ATOM 129 CG GLN A 11 4.226 6.322 -1.937 1.00 0.00 C ATOM 130 CD GLN A 11 4.364 7.481 -0.947 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.802 7.319 0.180 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.967 8.654 -1.431 1.00 0.00 N ATOM 0 H GLN A 11 3.416 4.787 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 11 4.503 3.618 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.203 5.591 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.184 5.291 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.193 5.837 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.924 6.706 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.610 8.718 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.019 9.490 -0.849 1.00 0.00 H new ATOM 141 N VAL A 12 1.381 2.827 -2.200 1.00 0.00 N ATOM 142 CA VAL A 12 0.312 1.905 -1.856 1.00 0.00 C ATOM 143 C VAL A 12 0.775 0.472 -2.128 1.00 0.00 C ATOM 144 O VAL A 12 0.515 -0.430 -1.333 1.00 0.00 O ATOM 145 CB VAL A 12 -0.963 2.275 -2.615 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.035 1.198 -2.444 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.486 3.645 -2.173 1.00 0.00 C ATOM 0 H VAL A 12 1.196 3.409 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 12 0.074 1.975 -0.795 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.716 2.336 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.931 1.486 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.662 0.249 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.277 1.090 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.393 3.884 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.708 3.623 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.729 4.404 -2.370 1.00 0.00 H new ATOM 157 N LYS A 13 1.453 0.307 -3.254 1.00 0.00 N ATOM 158 CA LYS A 13 1.955 -1.000 -3.641 1.00 0.00 C ATOM 159 C LYS A 13 2.787 -1.582 -2.497 1.00 0.00 C ATOM 160 O LYS A 13 2.513 -2.684 -2.023 1.00 0.00 O ATOM 161 CB LYS A 13 2.710 -0.913 -4.969 1.00 0.00 C ATOM 162 CG LYS A 13 1.759 -0.581 -6.120 1.00 0.00 C ATOM 163 CD LYS A 13 2.456 -0.746 -7.472 1.00 0.00 C ATOM 164 CE LYS A 13 2.442 0.565 -8.260 1.00 0.00 C ATOM 165 NZ LYS A 13 3.566 0.605 -9.221 1.00 0.00 N ATOM 0 H LYS A 13 1.667 1.057 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 13 1.128 -1.689 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.485 -0.150 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.212 -1.860 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.886 -1.232 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.399 0.442 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.485 -1.070 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.959 -1.526 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.497 0.665 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.512 1.409 -7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.551 1.509 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.466 0.514 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.473 -0.180 -9.897 1.00 0.00 H new ATOM 179 N GLU A 14 3.787 -0.816 -2.085 1.00 0.00 N ATOM 180 CA GLU A 14 4.661 -1.241 -1.006 1.00 0.00 C ATOM 181 C GLU A 14 3.856 -1.448 0.279 1.00 0.00 C ATOM 182 O GLU A 14 4.170 -2.329 1.077 1.00 0.00 O ATOM 183 CB GLU A 14 5.792 -0.235 -0.788 1.00 0.00 C ATOM 184 CG GLU A 14 7.005 -0.578 -1.654 1.00 0.00 C ATOM 185 CD GLU A 14 8.093 -1.267 -0.826 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.543 -0.638 0.155 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.449 -2.407 -1.194 1.00 0.00 O ATOM 0 H GLU A 14 4.011 0.097 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 14 5.114 -2.192 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.442 0.769 -1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.081 -0.229 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.699 -1.229 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.405 0.331 -2.102 1.00 0.00 H new ATOM 194 N LEU A 15 2.833 -0.620 0.438 1.00 0.00 N ATOM 195 CA LEU A 15 1.980 -0.701 1.612 1.00 0.00 C ATOM 196 C LEU A 15 1.391 -2.109 1.712 1.00 0.00 C ATOM 197 O LEU A 15 1.705 -2.853 2.641 1.00 0.00 O ATOM 198 CB LEU A 15 0.925 0.406 1.584 1.00 0.00 C ATOM 199 CG LEU A 15 -0.420 0.068 2.232 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.298 0.023 3.756 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.509 1.038 1.771 1.00 0.00 C ATOM 0 H LEU A 15 2.576 0.110 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 15 2.562 -0.533 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.335 1.284 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.746 0.684 0.545 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.717 -0.928 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.267 -0.219 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.428 -0.739 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.032 0.995 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.454 0.776 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.232 2.055 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.617 0.976 0.688 1.00 0.00 H new ATOM 213 N PHE A 16 0.547 -2.434 0.744 1.00 0.00 N ATOM 214 CA PHE A 16 -0.089 -3.740 0.712 1.00 0.00 C ATOM 215 C PHE A 16 0.951 -4.859 0.798 1.00 0.00 C ATOM 216 O PHE A 16 0.736 -5.860 1.480 1.00 0.00 O ATOM 217 CB PHE A 16 -0.825 -3.847 -0.625 1.00 0.00 C ATOM 218 CG PHE A 16 -2.216 -3.209 -0.621 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.140 -3.596 0.300 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.530 -2.256 -1.539 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.431 -3.005 0.303 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.822 -1.665 -1.537 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.745 -2.052 -0.615 1.00 0.00 C ATOM 0 H PHE A 16 0.289 -1.815 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.767 -3.844 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.221 -3.374 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.920 -4.899 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.891 -4.353 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.797 -1.948 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.164 -3.312 1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.071 -0.909 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.727 -1.602 -0.612 1.00 0.00 H new ATOM 233 N ASN A 17 2.056 -4.652 0.097 1.00 0.00 N ATOM 234 CA ASN A 17 3.130 -5.630 0.085 1.00 0.00 C ATOM 235 C ASN A 17 3.747 -5.719 1.483 1.00 0.00 C ATOM 236 O ASN A 17 4.111 -6.804 1.936 1.00 0.00 O ATOM 237 CB ASN A 17 4.233 -5.225 -0.894 1.00 0.00 C ATOM 238 CG ASN A 17 3.702 -5.171 -2.327 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.517 -5.016 -2.572 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.642 -5.309 -3.259 1.00 0.00 N ATOM 0 H ASN A 17 2.231 -3.820 -0.467 1.00 0.00 H new ATOM 0 HA ASN A 17 2.711 -6.588 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.633 -4.251 -0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.056 -5.937 -0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.388 -5.288 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.617 -5.435 -2.986 1.00 0.00 H new ATOM 247 N GLU A 18 3.847 -4.565 2.126 1.00 0.00 N ATOM 248 CA GLU A 18 4.414 -4.500 3.462 1.00 0.00 C ATOM 249 C GLU A 18 3.545 -5.287 4.447 1.00 0.00 C ATOM 250 O GLU A 18 4.060 -6.058 5.255 1.00 0.00 O ATOM 251 CB GLU A 18 4.580 -3.048 3.917 1.00 0.00 C ATOM 252 CG GLU A 18 5.718 -2.364 3.158 1.00 0.00 C ATOM 253 CD GLU A 18 6.980 -2.279 4.020 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.637 -3.331 4.168 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.257 -1.164 4.511 1.00 0.00 O ATOM 0 H GLU A 18 3.545 -3.668 1.747 1.00 0.00 H new ATOM 0 HA GLU A 18 5.404 -4.955 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.650 -2.503 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.783 -3.019 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.934 -2.917 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.410 -1.362 2.859 1.00 0.00 H new ATOM 262 N LYS A 19 2.243 -5.065 4.345 1.00 0.00 N ATOM 263 CA LYS A 19 1.298 -5.743 5.217 1.00 0.00 C ATOM 264 C LYS A 19 1.444 -7.256 5.040 1.00 0.00 C ATOM 265 O LYS A 19 1.594 -7.987 6.018 1.00 0.00 O ATOM 266 CB LYS A 19 -0.121 -5.229 4.970 1.00 0.00 C ATOM 267 CG LYS A 19 -0.219 -3.728 5.252 1.00 0.00 C ATOM 268 CD LYS A 19 -0.194 -3.450 6.756 1.00 0.00 C ATOM 269 CE LYS A 19 0.306 -2.032 7.042 1.00 0.00 C ATOM 270 NZ LYS A 19 0.915 -1.959 8.390 1.00 0.00 N ATOM 0 H LYS A 19 1.820 -4.426 3.672 1.00 0.00 H new ATOM 0 HA LYS A 19 1.515 -5.521 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.409 -5.428 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.823 -5.768 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.609 -3.209 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.139 -3.333 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.194 -3.577 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.451 -4.174 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.038 -1.739 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.522 -1.327 6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.249 -0.990 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.206 -2.218 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.718 -2.618 8.444 1.00 0.00 H new ATOM 284 N TYR A 20 1.395 -7.681 3.786 1.00 0.00 N ATOM 285 CA TYR A 20 1.520 -9.093 3.469 1.00 0.00 C ATOM 286 C TYR A 20 2.736 -9.706 4.166 1.00 0.00 C ATOM 287 O TYR A 20 2.631 -10.758 4.796 1.00 0.00 O ATOM 288 CB TYR A 20 1.723 -9.169 1.955 1.00 0.00 C ATOM 289 CG TYR A 20 1.267 -10.489 1.332 1.00 0.00 C ATOM 290 CD1 TYR A 20 0.040 -11.025 1.671 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.081 -11.146 0.430 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.390 -12.268 1.084 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.651 -12.388 -0.157 1.00 0.00 C ATOM 294 CZ TYR A 20 0.437 -12.888 0.199 1.00 0.00 C ATOM 295 OH TYR A 20 0.031 -14.062 -0.355 1.00 0.00 O ATOM 0 H TYR A 20 1.270 -7.072 2.977 1.00 0.00 H new ATOM 0 HA TYR A 20 0.637 -9.640 3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.179 -8.350 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.780 -9.020 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.597 -10.512 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.041 -10.728 0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.347 -12.698 1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.278 -12.911 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.930 -14.180 -0.204 1.00 0.00 H new ATOM 305 N GLY A 21 3.863 -9.022 4.031 1.00 0.00 N ATOM 306 CA GLY A 21 5.098 -9.486 4.640 1.00 0.00 C ATOM 307 C GLY A 21 4.918 -9.709 6.142 1.00 0.00 C ATOM 308 O GLY A 21 5.147 -10.810 6.642 1.00 0.00 O ATOM 0 H GLY A 21 3.947 -8.150 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.415 -10.415 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.889 -8.755 4.469 1.00 0.00 H new ATOM 312 N GLU A 22 4.512 -8.647 6.821 1.00 0.00 N ATOM 313 CA GLU A 22 4.299 -8.713 8.257 1.00 0.00 C ATOM 314 C GLU A 22 3.318 -9.837 8.598 1.00 0.00 C ATOM 315 O GLU A 22 3.547 -10.603 9.532 1.00 0.00 O ATOM 316 CB GLU A 22 3.804 -7.371 8.800 1.00 0.00 C ATOM 317 CG GLU A 22 4.705 -6.226 8.335 1.00 0.00 C ATOM 318 CD GLU A 22 4.884 -5.184 9.442 1.00 0.00 C ATOM 319 OE1 GLU A 22 3.887 -4.489 9.735 1.00 0.00 O ATOM 320 OE2 GLU A 22 6.015 -5.106 9.970 1.00 0.00 O ATOM 0 H GLU A 22 4.325 -7.735 6.404 1.00 0.00 H new ATOM 0 HA GLU A 22 5.253 -8.932 8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.782 -7.194 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.781 -7.401 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.678 -6.620 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.273 -5.754 7.453 1.00 0.00 H new ATOM 327 N ALA A 23 2.246 -9.900 7.820 1.00 0.00 N ATOM 328 CA ALA A 23 1.231 -10.917 8.027 1.00 0.00 C ATOM 329 C ALA A 23 1.850 -12.301 7.819 1.00 0.00 C ATOM 330 O ALA A 23 1.481 -13.258 8.496 1.00 0.00 O ATOM 331 CB ALA A 23 0.050 -10.659 7.088 1.00 0.00 C ATOM 0 H ALA A 23 2.060 -9.263 7.046 1.00 0.00 H new ATOM 0 HA ALA A 23 0.851 -10.877 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.712 -11.423 7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.373 -9.676 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.393 -10.694 6.054 1.00 0.00 H new ATOM 337 N LEU A 24 2.781 -12.361 6.878 1.00 0.00 N ATOM 338 CA LEU A 24 3.456 -13.611 6.571 1.00 0.00 C ATOM 339 C LEU A 24 4.431 -13.949 7.700 1.00 0.00 C ATOM 340 O LEU A 24 5.042 -15.017 7.699 1.00 0.00 O ATOM 341 CB LEU A 24 4.111 -13.542 5.191 1.00 0.00 C ATOM 342 CG LEU A 24 3.195 -13.821 3.998 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.818 -13.311 2.697 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.837 -15.306 3.918 1.00 0.00 C ATOM 0 H LEU A 24 3.084 -11.564 6.318 1.00 0.00 H new ATOM 0 HA LEU A 24 2.737 -14.429 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.545 -12.550 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.935 -14.256 5.166 1.00 0.00 H new ATOM 0 HG LEU A 24 2.265 -13.273 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.146 -13.522 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.980 -12.236 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.772 -13.812 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.185 -15.477 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.748 -15.894 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.323 -15.606 4.831 1.00 0.00 H new ATOM 356 N GLY A 25 4.548 -13.019 8.636 1.00 0.00 N ATOM 357 CA GLY A 25 5.441 -13.205 9.768 1.00 0.00 C ATOM 358 C GLY A 25 6.901 -13.013 9.354 1.00 0.00 C ATOM 359 O GLY A 25 7.808 -13.523 10.009 1.00 0.00 O ATOM 0 H GLY A 25 4.040 -12.135 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.187 -12.496 10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.305 -14.204 10.182 1.00 0.00 H new ATOM 363 N LEU A 26 7.082 -12.276 8.268 1.00 0.00 N ATOM 364 CA LEU A 26 8.417 -12.011 7.757 1.00 0.00 C ATOM 365 C LEU A 26 8.835 -10.593 8.151 1.00 0.00 C ATOM 366 O LEU A 26 8.086 -9.884 8.820 1.00 0.00 O ATOM 367 CB LEU A 26 8.477 -12.274 6.252 1.00 0.00 C ATOM 368 CG LEU A 26 7.703 -13.497 5.753 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.871 -13.675 4.243 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.106 -14.754 6.526 1.00 0.00 C ATOM 0 H LEU A 26 6.327 -11.854 7.728 1.00 0.00 H new ATOM 0 HA LEU A 26 9.139 -12.694 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.098 -11.393 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.522 -12.388 5.965 1.00 0.00 H new ATOM 0 HG LEU A 26 6.643 -13.329 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.311 -14.551 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.495 -12.791 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.927 -13.811 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.541 -15.608 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.172 -14.937 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.892 -14.614 7.586 1.00 0.00 H new ATOM 382 N ASN A 27 10.032 -10.223 7.718 1.00 0.00 N ATOM 383 CA ASN A 27 10.559 -8.902 8.015 1.00 0.00 C ATOM 384 C ASN A 27 10.812 -8.151 6.707 1.00 0.00 C ATOM 385 O ASN A 27 11.607 -7.213 6.669 1.00 0.00 O ATOM 386 CB ASN A 27 11.887 -8.997 8.770 1.00 0.00 C ATOM 387 CG ASN A 27 11.716 -8.587 10.234 1.00 0.00 C ATOM 388 OD1 ASN A 27 10.726 -8.889 10.879 1.00 0.00 O ATOM 389 ND2 ASN A 27 12.735 -7.883 10.721 1.00 0.00 N ATOM 0 H ASN A 27 10.651 -10.815 7.164 1.00 0.00 H new ATOM 0 HA ASN A 27 9.829 -8.379 8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.268 -10.017 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.627 -8.355 8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.717 -7.562 11.689 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.534 -7.664 10.126 1.00 0.00 H new ATOM 396 N ARG A 28 10.119 -8.590 5.667 1.00 0.00 N ATOM 397 CA ARG A 28 10.258 -7.970 4.360 1.00 0.00 C ATOM 398 C ARG A 28 8.904 -7.916 3.651 1.00 0.00 C ATOM 399 O ARG A 28 8.042 -8.763 3.885 1.00 0.00 O ATOM 400 CB ARG A 28 11.251 -8.742 3.488 1.00 0.00 C ATOM 401 CG ARG A 28 10.980 -10.246 3.547 1.00 0.00 C ATOM 402 CD ARG A 28 11.839 -10.999 2.528 1.00 0.00 C ATOM 403 NE ARG A 28 12.713 -11.971 3.222 1.00 0.00 N ATOM 404 CZ ARG A 28 13.894 -11.660 3.772 1.00 0.00 C ATOM 405 NH1 ARG A 28 14.350 -10.401 3.712 1.00 0.00 N ATOM 406 NH2 ARG A 28 14.620 -12.607 4.381 1.00 0.00 N ATOM 0 H ARG A 28 9.460 -9.367 5.703 1.00 0.00 H new ATOM 0 HA ARG A 28 10.633 -6.958 4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.180 -8.396 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.268 -8.539 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.190 -10.618 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.925 -10.437 3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.200 -11.518 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.445 -10.294 1.959 1.00 0.00 H new ATOM 0 HE ARG A 28 12.396 -12.938 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.798 -9.680 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.249 -10.164 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.273 -13.565 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.519 -12.370 4.800 1.00 0.00 H new ATOM 420 N PRO A 29 8.753 -6.886 2.776 1.00 0.00 N ATOM 421 CA PRO A 29 7.517 -6.710 2.031 1.00 0.00 C ATOM 422 C PRO A 29 7.410 -7.733 0.899 1.00 0.00 C ATOM 423 O PRO A 29 8.372 -7.957 0.166 1.00 0.00 O ATOM 424 CB PRO A 29 7.559 -5.275 1.533 1.00 0.00 C ATOM 425 CG PRO A 29 9.015 -4.845 1.620 1.00 0.00 C ATOM 426 CD PRO A 29 9.751 -5.865 2.474 1.00 0.00 C ATOM 0 HA PRO A 29 6.630 -6.880 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.192 -5.206 0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.925 -4.631 2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.457 -4.790 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.094 -3.851 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.601 -6.289 1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.141 -5.411 3.385 1.00 0.00 H new ATOM 434 N VAL A 30 6.230 -8.327 0.792 1.00 0.00 N ATOM 435 CA VAL A 30 5.984 -9.321 -0.239 1.00 0.00 C ATOM 436 C VAL A 30 4.734 -8.930 -1.030 1.00 0.00 C ATOM 437 O VAL A 30 3.760 -8.445 -0.459 1.00 0.00 O ATOM 438 CB VAL A 30 5.882 -10.713 0.389 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.449 -11.751 -0.647 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.203 -11.114 1.049 1.00 0.00 C ATOM 0 H VAL A 30 5.434 -8.139 1.402 1.00 0.00 H new ATOM 0 HA VAL A 30 6.817 -9.356 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 30 5.117 -10.676 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.384 -12.731 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.474 -11.478 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.180 -11.785 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.104 -12.107 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.995 -11.125 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.452 -10.396 1.830 1.00 0.00 H new ATOM 450 N LEU A 31 4.804 -9.156 -2.335 1.00 0.00 N ATOM 451 CA LEU A 31 3.690 -8.832 -3.211 1.00 0.00 C ATOM 452 C LEU A 31 2.446 -9.591 -2.747 1.00 0.00 C ATOM 453 O LEU A 31 2.554 -10.647 -2.125 1.00 0.00 O ATOM 454 CB LEU A 31 4.064 -9.097 -4.670 1.00 0.00 C ATOM 455 CG LEU A 31 4.769 -7.950 -5.400 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.593 -8.475 -6.578 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.768 -6.878 -5.833 1.00 0.00 C ATOM 0 H LEU A 31 5.614 -9.559 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 31 3.455 -7.769 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.709 -9.975 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.155 -9.346 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 31 5.464 -7.479 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.083 -7.641 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.347 -9.172 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.936 -8.986 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.295 -6.075 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.031 -7.318 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.264 -6.475 -4.955 1.00 0.00 H new ATOM 469 N VAL A 32 1.292 -9.025 -3.068 1.00 0.00 N ATOM 470 CA VAL A 32 0.029 -9.635 -2.692 1.00 0.00 C ATOM 471 C VAL A 32 -0.576 -10.337 -3.910 1.00 0.00 C ATOM 472 O VAL A 32 -0.846 -9.700 -4.927 1.00 0.00 O ATOM 473 CB VAL A 32 -0.902 -8.582 -2.086 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.306 -9.150 -1.868 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.326 -8.028 -0.781 1.00 0.00 C ATOM 0 H VAL A 32 1.206 -8.150 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 32 0.185 -10.392 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.981 -7.758 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.947 -8.381 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.720 -9.473 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.253 -10.001 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.006 -7.282 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.203 -8.840 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.642 -7.567 -0.977 1.00 0.00 H new ATOM 485 N PRO A 33 -0.777 -11.674 -3.762 1.00 0.00 N ATOM 486 CA PRO A 33 -1.344 -12.469 -4.837 1.00 0.00 C ATOM 487 C PRO A 33 -2.849 -12.223 -4.966 1.00 0.00 C ATOM 488 O PRO A 33 -3.649 -13.140 -4.788 1.00 0.00 O ATOM 489 CB PRO A 33 -1.006 -13.908 -4.484 1.00 0.00 C ATOM 490 CG PRO A 33 -0.672 -13.905 -3.002 1.00 0.00 C ATOM 491 CD PRO A 33 -0.468 -12.461 -2.571 1.00 0.00 C ATOM 0 HA PRO A 33 -0.937 -12.207 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.847 -14.569 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.163 -14.267 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.477 -14.364 -2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.228 -14.490 -2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.124 -12.199 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.555 -12.288 -2.236 1.00 0.00 H new ATOM 499 N TYR A 34 -3.188 -10.979 -5.274 1.00 0.00 N ATOM 500 CA TYR A 34 -4.583 -10.601 -5.429 1.00 0.00 C ATOM 501 C TYR A 34 -5.313 -11.568 -6.363 1.00 0.00 C ATOM 502 O TYR A 34 -6.455 -11.945 -6.103 1.00 0.00 O ATOM 503 CB TYR A 34 -4.574 -9.208 -6.062 1.00 0.00 C ATOM 504 CG TYR A 34 -3.927 -8.131 -5.188 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.626 -7.593 -4.127 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.646 -7.699 -5.461 1.00 0.00 C ATOM 507 CE1 TYR A 34 -4.018 -6.579 -3.304 1.00 0.00 C ATOM 508 CE2 TYR A 34 -2.037 -6.687 -4.638 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.754 -6.176 -3.600 1.00 0.00 C ATOM 510 OH TYR A 34 -2.178 -5.219 -2.824 1.00 0.00 O ATOM 0 H TYR A 34 -2.521 -10.221 -5.420 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.095 -10.620 -4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.044 -9.256 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.600 -8.914 -6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.629 -7.932 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.100 -8.120 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.554 -6.149 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.034 -6.341 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.805 -4.946 -2.122 1.00 0.00 H new ATOM 520 N LYS A 35 -4.624 -11.942 -7.431 1.00 0.00 N ATOM 521 CA LYS A 35 -5.193 -12.858 -8.405 1.00 0.00 C ATOM 522 C LYS A 35 -5.768 -14.076 -7.679 1.00 0.00 C ATOM 523 O LYS A 35 -6.873 -14.521 -7.984 1.00 0.00 O ATOM 524 CB LYS A 35 -4.158 -13.213 -9.476 1.00 0.00 C ATOM 525 CG LYS A 35 -4.707 -12.943 -10.879 1.00 0.00 C ATOM 526 CD LYS A 35 -3.715 -13.398 -11.951 1.00 0.00 C ATOM 527 CE LYS A 35 -4.047 -12.770 -13.306 1.00 0.00 C ATOM 528 NZ LYS A 35 -3.073 -13.205 -14.331 1.00 0.00 N ATOM 0 H LYS A 35 -3.677 -11.627 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.018 -12.384 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.251 -12.630 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.881 -14.263 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.655 -13.466 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.911 -11.879 -10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.703 -13.121 -11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.737 -14.485 -12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.054 -13.056 -13.609 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.035 -11.683 -13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.313 -12.770 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.116 -12.911 -14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.104 -14.241 -14.422 1.00 0.00 H new ATOM 542 N LEU A 36 -4.991 -14.581 -6.731 1.00 0.00 N ATOM 543 CA LEU A 36 -5.410 -15.738 -5.958 1.00 0.00 C ATOM 544 C LEU A 36 -6.523 -15.327 -4.994 1.00 0.00 C ATOM 545 O LEU A 36 -7.663 -15.770 -5.129 1.00 0.00 O ATOM 546 CB LEU A 36 -4.207 -16.387 -5.270 1.00 0.00 C ATOM 547 CG LEU A 36 -3.215 -17.103 -6.187 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.946 -17.493 -5.425 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.868 -18.309 -6.867 1.00 0.00 C ATOM 0 H LEU A 36 -4.074 -14.210 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.824 -16.504 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.670 -15.616 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.576 -17.104 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.918 -16.411 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.257 -18.001 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.470 -16.596 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.206 -18.160 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.141 -18.800 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.212 -19.012 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.717 -17.975 -7.464 1.00 0.00 H new ATOM 561 N ILE A 37 -6.155 -14.484 -4.040 1.00 0.00 N ATOM 562 CA ILE A 37 -7.107 -14.007 -3.052 1.00 0.00 C ATOM 563 C ILE A 37 -8.445 -13.719 -3.738 1.00 0.00 C ATOM 564 O ILE A 37 -9.504 -14.015 -3.189 1.00 0.00 O ATOM 565 CB ILE A 37 -6.537 -12.810 -2.290 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.275 -13.201 -1.519 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.595 -12.184 -1.379 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.214 -12.103 -1.610 1.00 0.00 C ATOM 0 H ILE A 37 -5.209 -14.119 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.291 -14.774 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.248 -12.050 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.525 -13.384 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.874 -14.133 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.163 -11.335 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.439 -11.845 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.939 -12.925 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.327 -12.407 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.948 -11.939 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.609 -11.179 -1.187 1.00 0.00 H new ATOM 580 N ARG A 38 -8.352 -13.146 -4.928 1.00 0.00 N ATOM 581 CA ARG A 38 -9.541 -12.814 -5.695 1.00 0.00 C ATOM 582 C ARG A 38 -10.404 -14.061 -5.900 1.00 0.00 C ATOM 583 O ARG A 38 -11.609 -14.033 -5.655 1.00 0.00 O ATOM 584 CB ARG A 38 -9.171 -12.229 -7.059 1.00 0.00 C ATOM 585 CG ARG A 38 -10.419 -11.757 -7.809 1.00 0.00 C ATOM 586 CD ARG A 38 -10.688 -10.273 -7.547 1.00 0.00 C ATOM 587 NE ARG A 38 -10.743 -9.535 -8.828 1.00 0.00 N ATOM 588 CZ ARG A 38 -9.662 -9.121 -9.503 1.00 0.00 C ATOM 589 NH1 ARG A 38 -8.436 -9.371 -9.023 1.00 0.00 N ATOM 590 NH2 ARG A 38 -9.807 -8.457 -10.658 1.00 0.00 N ATOM 0 H ARG A 38 -7.471 -12.903 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.101 -12.067 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.484 -11.393 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.648 -12.980 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.290 -11.924 -8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.280 -12.347 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.629 -10.155 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.904 -9.859 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.661 -9.328 -9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.326 -9.876 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.613 -9.056 -9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.740 -8.267 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.984 -8.142 -11.172 1.00 0.00 H new ATOM 604 N ASP A 39 -9.754 -15.125 -6.348 1.00 0.00 N ATOM 605 CA ASP A 39 -10.448 -16.379 -6.588 1.00 0.00 C ATOM 606 C ASP A 39 -10.693 -17.085 -5.254 1.00 0.00 C ATOM 607 O ASP A 39 -11.739 -17.703 -5.058 1.00 0.00 O ATOM 608 CB ASP A 39 -9.613 -17.310 -7.469 1.00 0.00 C ATOM 609 CG ASP A 39 -10.122 -17.473 -8.903 1.00 0.00 C ATOM 610 OD1 ASP A 39 -9.759 -16.615 -9.736 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.863 -18.454 -9.133 1.00 0.00 O ATOM 0 H ASP A 39 -8.755 -15.145 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.388 -16.153 -7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.591 -16.933 -7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.575 -18.293 -6.999 1.00 0.00 H new ATOM 616 N SER A 40 -9.712 -16.972 -4.371 1.00 0.00 N ATOM 617 CA SER A 40 -9.808 -17.592 -3.061 1.00 0.00 C ATOM 618 C SER A 40 -9.994 -16.519 -1.986 1.00 0.00 C ATOM 619 O SER A 40 -9.032 -15.867 -1.582 1.00 0.00 O ATOM 620 CB SER A 40 -8.569 -18.437 -2.758 1.00 0.00 C ATOM 621 OG SER A 40 -8.565 -18.920 -1.418 1.00 0.00 O ATOM 0 H SER A 40 -8.846 -16.460 -4.538 1.00 0.00 H new ATOM 0 HA SER A 40 -10.674 -18.253 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.529 -19.281 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.673 -17.841 -2.931 1.00 0.00 H new ATOM 0 HG SER A 40 -7.759 -19.456 -1.266 1.00 0.00 H new ATOM 627 N PRO A 41 -11.270 -16.364 -1.544 1.00 0.00 N ATOM 628 CA PRO A 41 -11.594 -15.380 -0.523 1.00 0.00 C ATOM 629 C PRO A 41 -11.135 -15.852 0.858 1.00 0.00 C ATOM 630 O PRO A 41 -11.070 -15.060 1.798 1.00 0.00 O ATOM 631 CB PRO A 41 -13.100 -15.197 -0.618 1.00 0.00 C ATOM 632 CG PRO A 41 -13.622 -16.416 -1.362 1.00 0.00 C ATOM 633 CD PRO A 41 -12.434 -17.117 -2.000 1.00 0.00 C ATOM 0 HA PRO A 41 -11.080 -14.431 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.548 -15.123 0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.349 -14.279 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.139 -17.088 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.344 -16.119 -2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.377 -18.160 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.508 -17.111 -3.087 1.00 0.00 H new ATOM 641 N ASP A 42 -10.829 -17.139 0.937 1.00 0.00 N ATOM 642 CA ASP A 42 -10.378 -17.724 2.188 1.00 0.00 C ATOM 643 C ASP A 42 -8.881 -18.025 2.096 1.00 0.00 C ATOM 644 O ASP A 42 -8.451 -19.147 2.359 1.00 0.00 O ATOM 645 CB ASP A 42 -11.107 -19.038 2.475 1.00 0.00 C ATOM 646 CG ASP A 42 -12.531 -18.884 3.015 1.00 0.00 C ATOM 647 OD1 ASP A 42 -12.771 -17.866 3.699 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.346 -19.787 2.730 1.00 0.00 O ATOM 0 H ASP A 42 -10.885 -17.792 0.156 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.587 -17.013 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.144 -19.623 1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.522 -19.611 3.194 1.00 0.00 H new ATOM 653 N ALA A 43 -8.127 -17.002 1.718 1.00 0.00 N ATOM 654 CA ALA A 43 -6.687 -17.144 1.586 1.00 0.00 C ATOM 655 C ALA A 43 -5.994 -16.140 2.511 1.00 0.00 C ATOM 656 O ALA A 43 -5.168 -16.521 3.339 1.00 0.00 O ATOM 657 CB ALA A 43 -6.287 -16.959 0.122 1.00 0.00 C ATOM 0 H ALA A 43 -8.486 -16.073 1.499 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.371 -18.143 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.207 -17.066 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.783 -17.713 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.586 -15.966 -0.214 1.00 0.00 H new ATOM 663 N VAL A 44 -6.357 -14.877 2.338 1.00 0.00 N ATOM 664 CA VAL A 44 -5.780 -13.816 3.146 1.00 0.00 C ATOM 665 C VAL A 44 -6.881 -12.834 3.551 1.00 0.00 C ATOM 666 O VAL A 44 -7.774 -12.537 2.759 1.00 0.00 O ATOM 667 CB VAL A 44 -4.630 -13.148 2.389 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.210 -11.845 3.072 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.442 -14.100 2.245 1.00 0.00 C ATOM 0 H VAL A 44 -7.043 -14.565 1.651 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.354 -14.222 4.063 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.985 -12.903 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.391 -11.390 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.057 -11.159 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.882 -12.057 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.639 -13.600 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.087 -14.391 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.752 -14.989 1.695 1.00 0.00 H new ATOM 679 N GLU A 45 -6.781 -12.357 4.782 1.00 0.00 N ATOM 680 CA GLU A 45 -7.757 -11.413 5.301 1.00 0.00 C ATOM 681 C GLU A 45 -7.185 -9.994 5.286 1.00 0.00 C ATOM 682 O GLU A 45 -6.110 -9.749 5.832 1.00 0.00 O ATOM 683 CB GLU A 45 -8.207 -11.808 6.709 1.00 0.00 C ATOM 684 CG GLU A 45 -8.777 -10.604 7.461 1.00 0.00 C ATOM 685 CD GLU A 45 -9.599 -11.052 8.671 1.00 0.00 C ATOM 686 OE1 GLU A 45 -9.030 -11.793 9.500 1.00 0.00 O ATOM 687 OE2 GLU A 45 -10.779 -10.644 8.739 1.00 0.00 O ATOM 0 H GLU A 45 -6.039 -12.606 5.436 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.634 -11.436 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.961 -12.593 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.363 -12.220 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.963 -9.957 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.402 -10.015 6.790 1.00 0.00 H new ATOM 694 N VAL A 46 -7.928 -9.097 4.655 1.00 0.00 N ATOM 695 CA VAL A 46 -7.508 -7.710 4.562 1.00 0.00 C ATOM 696 C VAL A 46 -8.473 -6.834 5.364 1.00 0.00 C ATOM 697 O VAL A 46 -9.686 -6.911 5.178 1.00 0.00 O ATOM 698 CB VAL A 46 -7.402 -7.293 3.093 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.248 -5.776 2.964 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.251 -8.022 2.398 1.00 0.00 C ATOM 0 H VAL A 46 -8.819 -9.304 4.203 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.516 -7.581 4.995 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.329 -7.579 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.175 -5.506 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.114 -5.283 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.345 -5.456 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.198 -7.708 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.313 -7.781 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.421 -9.098 2.444 1.00 0.00 H new ATOM 710 N THR A 47 -7.897 -6.023 6.239 1.00 0.00 N ATOM 711 CA THR A 47 -8.691 -5.134 7.070 1.00 0.00 C ATOM 712 C THR A 47 -7.945 -3.820 7.310 1.00 0.00 C ATOM 713 O THR A 47 -6.767 -3.700 6.975 1.00 0.00 O ATOM 714 CB THR A 47 -9.040 -5.878 8.360 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.848 -6.591 8.683 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.082 -6.977 8.138 1.00 0.00 C ATOM 0 H THR A 47 -6.890 -5.963 6.391 1.00 0.00 H new ATOM 0 HA THR A 47 -9.622 -4.857 6.575 1.00 0.00 H new ATOM 0 HB THR A 47 -9.412 -5.168 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.985 -7.101 9.509 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.294 -7.474 9.085 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.999 -6.536 7.747 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.696 -7.705 7.424 1.00 0.00 H new ATOM 724 N GLY A 48 -8.660 -2.866 7.887 1.00 0.00 N ATOM 725 CA GLY A 48 -8.081 -1.566 8.176 1.00 0.00 C ATOM 726 C GLY A 48 -8.320 -0.591 7.022 1.00 0.00 C ATOM 727 O GLY A 48 -8.310 0.623 7.219 1.00 0.00 O ATOM 0 H GLY A 48 -9.637 -2.968 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.516 -1.165 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.010 -1.672 8.352 1.00 0.00 H new ATOM 731 N LEU A 49 -8.528 -1.159 5.844 1.00 0.00 N ATOM 732 CA LEU A 49 -8.770 -0.354 4.657 1.00 0.00 C ATOM 733 C LEU A 49 -9.786 0.740 4.987 1.00 0.00 C ATOM 734 O LEU A 49 -10.480 0.664 5.999 1.00 0.00 O ATOM 735 CB LEU A 49 -9.183 -1.243 3.483 1.00 0.00 C ATOM 736 CG LEU A 49 -8.040 -1.843 2.660 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.581 -2.719 1.528 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.106 -0.748 2.142 1.00 0.00 C ATOM 0 H LEU A 49 -8.534 -2.166 5.685 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.854 0.146 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.794 -2.059 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.817 -0.658 2.816 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.450 -2.488 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.749 -3.133 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.173 -3.532 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.207 -2.117 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.303 -1.200 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.668 -0.059 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.681 -0.203 2.985 1.00 0.00 H new ATOM 750 N PRO A 50 -9.842 1.761 4.090 1.00 0.00 N ATOM 751 CA PRO A 50 -10.761 2.871 4.275 1.00 0.00 C ATOM 752 C PRO A 50 -12.196 2.456 3.944 1.00 0.00 C ATOM 753 O PRO A 50 -12.415 1.572 3.117 1.00 0.00 O ATOM 754 CB PRO A 50 -10.237 3.971 3.367 1.00 0.00 C ATOM 755 CG PRO A 50 -9.324 3.286 2.364 1.00 0.00 C ATOM 756 CD PRO A 50 -9.034 1.885 2.879 1.00 0.00 C ATOM 0 HA PRO A 50 -10.804 3.213 5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.056 4.484 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.694 4.723 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.799 3.242 1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.398 3.848 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.305 1.128 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.974 1.754 3.095 1.00 0.00 H new ATOM 764 N ASP A 51 -13.136 3.112 4.608 1.00 0.00 N ATOM 765 CA ASP A 51 -14.544 2.822 4.395 1.00 0.00 C ATOM 766 C ASP A 51 -14.926 3.200 2.962 1.00 0.00 C ATOM 767 O ASP A 51 -14.429 4.188 2.423 1.00 0.00 O ATOM 768 CB ASP A 51 -15.423 3.632 5.349 1.00 0.00 C ATOM 769 CG ASP A 51 -14.999 5.090 5.540 1.00 0.00 C ATOM 770 OD1 ASP A 51 -15.292 5.891 4.627 1.00 0.00 O ATOM 771 OD2 ASP A 51 -14.389 5.369 6.595 1.00 0.00 O ATOM 0 H ASP A 51 -12.950 3.844 5.294 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.701 1.759 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.448 3.613 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.426 3.140 6.322 1.00 0.00 H new ATOM 776 N ASP A 52 -15.807 2.394 2.387 1.00 0.00 N ATOM 777 CA ASP A 52 -16.262 2.632 1.028 1.00 0.00 C ATOM 778 C ASP A 52 -15.122 2.330 0.053 1.00 0.00 C ATOM 779 O ASP A 52 -15.008 2.970 -0.991 1.00 0.00 O ATOM 780 CB ASP A 52 -16.678 4.091 0.833 1.00 0.00 C ATOM 781 CG ASP A 52 -17.965 4.295 0.033 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.325 3.360 -0.713 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.562 5.384 0.187 1.00 0.00 O ATOM 0 H ASP A 52 -16.217 1.576 2.837 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.120 1.986 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.800 4.552 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.868 4.620 0.331 1.00 0.00 H new ATOM 788 N ILE A 53 -14.308 1.354 0.428 1.00 0.00 N ATOM 789 CA ILE A 53 -13.181 0.961 -0.400 1.00 0.00 C ATOM 790 C ILE A 53 -12.882 -0.523 -0.174 1.00 0.00 C ATOM 791 O ILE A 53 -12.551 -0.930 0.939 1.00 0.00 O ATOM 792 CB ILE A 53 -11.983 1.876 -0.145 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.327 3.332 -0.464 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.751 1.395 -0.916 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.085 4.222 -0.375 1.00 0.00 C ATOM 0 H ILE A 53 -14.407 0.824 1.294 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.423 1.081 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.737 1.829 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.755 3.397 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.086 3.691 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.913 2.063 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.493 0.385 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.968 1.393 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.358 5.252 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.674 4.173 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.337 3.876 -1.089 1.00 0.00 H new ATOM 807 N PRO A 54 -13.011 -1.310 -1.275 1.00 0.00 N ATOM 808 CA PRO A 54 -12.758 -2.739 -1.207 1.00 0.00 C ATOM 809 C PRO A 54 -11.256 -3.027 -1.135 1.00 0.00 C ATOM 810 O PRO A 54 -10.465 -2.140 -0.820 1.00 0.00 O ATOM 811 CB PRO A 54 -13.414 -3.315 -2.452 1.00 0.00 C ATOM 812 CG PRO A 54 -13.605 -2.143 -3.401 1.00 0.00 C ATOM 813 CD PRO A 54 -13.401 -0.862 -2.608 1.00 0.00 C ATOM 0 HA PRO A 54 -13.170 -3.197 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.788 -4.085 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.369 -3.782 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.893 -2.199 -4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.603 -2.166 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.629 -0.237 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.314 -0.267 -2.575 1.00 0.00 H new ATOM 821 N PHE A 55 -10.910 -4.271 -1.433 1.00 0.00 N ATOM 822 CA PHE A 55 -9.518 -4.687 -1.406 1.00 0.00 C ATOM 823 C PHE A 55 -9.121 -5.359 -2.722 1.00 0.00 C ATOM 824 O PHE A 55 -9.390 -6.542 -2.925 1.00 0.00 O ATOM 825 CB PHE A 55 -9.376 -5.699 -0.267 1.00 0.00 C ATOM 826 CG PHE A 55 -8.147 -6.603 -0.387 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.900 -6.062 -0.350 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.302 -7.946 -0.532 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.759 -6.901 -0.461 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.161 -8.784 -0.644 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.914 -8.244 -0.606 1.00 0.00 C ATOM 0 H PHE A 55 -11.569 -5.004 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.873 -3.820 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.327 -5.161 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.270 -6.321 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.777 -4.995 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.293 -8.375 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.768 -6.472 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.284 -9.851 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.047 -8.882 -0.691 1.00 0.00 H new ATOM 841 N ARG A 56 -8.487 -4.575 -3.582 1.00 0.00 N ATOM 842 CA ARG A 56 -8.052 -5.079 -4.873 1.00 0.00 C ATOM 843 C ARG A 56 -6.711 -4.451 -5.261 1.00 0.00 C ATOM 844 O ARG A 56 -6.184 -3.608 -4.538 1.00 0.00 O ATOM 845 CB ARG A 56 -9.083 -4.775 -5.961 1.00 0.00 C ATOM 846 CG ARG A 56 -10.496 -5.129 -5.490 1.00 0.00 C ATOM 847 CD ARG A 56 -10.728 -6.641 -5.540 1.00 0.00 C ATOM 848 NE ARG A 56 -11.872 -6.948 -6.427 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.157 -6.824 -6.067 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.468 -6.398 -4.836 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.129 -7.125 -6.938 1.00 0.00 N ATOM 0 H ARG A 56 -8.264 -3.595 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.942 -6.160 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.038 -3.719 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.844 -5.340 -6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.645 -4.768 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.230 -4.624 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.831 -7.143 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.923 -7.021 -4.537 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.670 -7.275 -7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.727 -6.168 -4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.446 -6.303 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.891 -7.449 -7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.107 -7.031 -6.664 1.00 0.00 H new ATOM 865 N ASN A 57 -6.199 -4.888 -6.403 1.00 0.00 N ATOM 866 CA ASN A 57 -4.931 -4.379 -6.897 1.00 0.00 C ATOM 867 C ASN A 57 -4.847 -2.876 -6.623 1.00 0.00 C ATOM 868 O ASN A 57 -5.784 -2.136 -6.919 1.00 0.00 O ATOM 869 CB ASN A 57 -4.801 -4.594 -8.406 1.00 0.00 C ATOM 870 CG ASN A 57 -3.357 -4.922 -8.792 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.696 -4.186 -9.506 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.908 -6.064 -8.281 1.00 0.00 N ATOM 0 H ASN A 57 -6.639 -5.588 -7.000 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.131 -4.915 -6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.458 -5.406 -8.719 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.128 -3.698 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.956 -6.372 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.515 -6.632 -7.690 1.00 0.00 H new ATOM 879 N PRO A 58 -3.688 -2.460 -6.048 1.00 0.00 N ATOM 880 CA PRO A 58 -3.470 -1.059 -5.732 1.00 0.00 C ATOM 881 C PRO A 58 -3.172 -0.251 -6.997 1.00 0.00 C ATOM 882 O PRO A 58 -3.229 0.977 -6.982 1.00 0.00 O ATOM 883 CB PRO A 58 -2.318 -1.053 -4.739 1.00 0.00 C ATOM 884 CG PRO A 58 -1.632 -2.401 -4.890 1.00 0.00 C ATOM 885 CD PRO A 58 -2.557 -3.309 -5.685 1.00 0.00 C ATOM 0 HA PRO A 58 -4.352 -0.584 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.626 -0.237 -4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.680 -0.911 -3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.676 -2.288 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.421 -2.833 -3.912 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.059 -3.705 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.879 -4.164 -5.091 1.00 0.00 H new ATOM 893 N ASN A 59 -2.862 -0.975 -8.063 1.00 0.00 N ATOM 894 CA ASN A 59 -2.555 -0.340 -9.333 1.00 0.00 C ATOM 895 C ASN A 59 -3.845 -0.172 -10.139 1.00 0.00 C ATOM 896 O ASN A 59 -4.036 -0.835 -11.157 1.00 0.00 O ATOM 897 CB ASN A 59 -1.591 -1.197 -10.158 1.00 0.00 C ATOM 898 CG ASN A 59 -0.798 -0.336 -11.143 1.00 0.00 C ATOM 899 OD1 ASN A 59 -0.653 0.865 -10.981 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.296 -1.014 -12.171 1.00 0.00 N ATOM 0 H ASN A 59 -2.817 -1.994 -8.073 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.093 0.625 -9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.904 -1.721 -9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.150 -1.958 -10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.248 -0.529 -12.885 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.455 -2.019 -12.246 1.00 0.00 H new ATOM 907 N THR A 60 -4.696 0.718 -9.653 1.00 0.00 N ATOM 908 CA THR A 60 -5.963 0.982 -10.314 1.00 0.00 C ATOM 909 C THR A 60 -6.758 2.037 -9.543 1.00 0.00 C ATOM 910 O THR A 60 -7.446 2.863 -10.142 1.00 0.00 O ATOM 911 CB THR A 60 -6.704 -0.347 -10.465 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.073 0.030 -10.582 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.657 -1.192 -9.190 1.00 0.00 C ATOM 0 H THR A 60 -4.533 1.266 -8.808 1.00 0.00 H new ATOM 0 HA THR A 60 -5.810 1.400 -11.309 1.00 0.00 H new ATOM 0 HB THR A 60 -6.271 -0.912 -11.291 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.626 -0.773 -10.685 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.198 -2.124 -9.351 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.620 -1.413 -8.938 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.120 -0.641 -8.371 1.00 0.00 H new ATOM 921 N TYR A 61 -6.639 1.975 -8.225 1.00 0.00 N ATOM 922 CA TYR A 61 -7.338 2.914 -7.365 1.00 0.00 C ATOM 923 C TYR A 61 -7.181 4.348 -7.877 1.00 0.00 C ATOM 924 O TYR A 61 -6.439 4.594 -8.826 1.00 0.00 O ATOM 925 CB TYR A 61 -6.677 2.801 -5.990 1.00 0.00 C ATOM 926 CG TYR A 61 -7.041 1.526 -5.227 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.362 1.147 -5.107 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.047 0.753 -4.661 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.705 -0.054 -4.389 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.390 -0.447 -3.943 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.702 -0.791 -3.843 1.00 0.00 C ATOM 932 OH TYR A 61 -8.025 -1.925 -3.165 1.00 0.00 O ATOM 0 H TYR A 61 -6.068 1.288 -7.732 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.404 2.687 -7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.595 2.841 -6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.961 3.665 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.139 1.751 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.013 1.048 -4.757 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.735 -0.362 -4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.623 -1.060 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.984 -1.925 -2.965 1.00 0.00 H new ATOM 942 N ASP A 62 -7.893 5.256 -7.225 1.00 0.00 N ATOM 943 CA ASP A 62 -7.842 6.658 -7.602 1.00 0.00 C ATOM 944 C ASP A 62 -7.158 7.457 -6.490 1.00 0.00 C ATOM 945 O ASP A 62 -6.960 6.947 -5.388 1.00 0.00 O ATOM 946 CB ASP A 62 -9.248 7.228 -7.798 1.00 0.00 C ATOM 947 CG ASP A 62 -10.087 6.527 -8.869 1.00 0.00 C ATOM 948 OD1 ASP A 62 -9.877 6.854 -10.057 1.00 0.00 O ATOM 949 OD2 ASP A 62 -10.918 5.681 -8.475 1.00 0.00 O ATOM 0 H ASP A 62 -8.508 5.048 -6.438 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.289 6.735 -8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.781 7.175 -6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.163 8.283 -8.058 1.00 0.00 H new ATOM 954 N ILE A 63 -6.818 8.694 -6.817 1.00 0.00 N ATOM 955 CA ILE A 63 -6.161 9.568 -5.859 1.00 0.00 C ATOM 956 C ILE A 63 -6.773 9.350 -4.474 1.00 0.00 C ATOM 957 O ILE A 63 -6.124 8.797 -3.586 1.00 0.00 O ATOM 958 CB ILE A 63 -6.218 11.021 -6.333 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.985 11.374 -7.169 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.403 11.977 -5.154 1.00 0.00 C ATOM 961 CD1 ILE A 63 -5.160 10.928 -8.621 1.00 0.00 C ATOM 0 H ILE A 63 -6.985 9.113 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.102 9.322 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.089 11.135 -6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.813 12.450 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.103 10.896 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.440 13.003 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.334 11.742 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.567 11.868 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.270 11.191 -9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.307 9.848 -8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.028 11.426 -9.052 1.00 0.00 H new ATOM 973 N HIS A 64 -8.012 9.793 -4.332 1.00 0.00 N ATOM 974 CA HIS A 64 -8.718 9.653 -3.069 1.00 0.00 C ATOM 975 C HIS A 64 -8.366 8.308 -2.432 1.00 0.00 C ATOM 976 O HIS A 64 -7.631 8.257 -1.446 1.00 0.00 O ATOM 977 CB HIS A 64 -10.224 9.840 -3.265 1.00 0.00 C ATOM 978 CG HIS A 64 -10.610 11.201 -3.791 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.529 11.378 -4.812 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.195 12.449 -3.428 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.652 12.677 -5.044 1.00 0.00 C ATOM 982 NE2 HIS A 64 -10.823 13.338 -4.186 1.00 0.00 N ATOM 0 H HIS A 64 -8.547 10.250 -5.071 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.400 10.436 -2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.588 9.079 -3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.727 9.674 -2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.476 12.675 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.295 13.132 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.705 14.350 -4.136 1.00 0.00 H new ATOM 990 N ARG A 65 -8.906 7.251 -3.019 1.00 0.00 N ATOM 991 CA ARG A 65 -8.658 5.908 -2.521 1.00 0.00 C ATOM 992 C ARG A 65 -7.194 5.759 -2.104 1.00 0.00 C ATOM 993 O ARG A 65 -6.902 5.445 -0.952 1.00 0.00 O ATOM 994 CB ARG A 65 -8.989 4.857 -3.582 1.00 0.00 C ATOM 995 CG ARG A 65 -10.417 5.032 -4.102 1.00 0.00 C ATOM 996 CD ARG A 65 -11.277 3.812 -3.765 1.00 0.00 C ATOM 997 NE ARG A 65 -12.675 4.044 -4.190 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.083 4.043 -5.467 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.202 3.820 -6.452 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.371 4.263 -5.759 1.00 0.00 N ATOM 0 H ARG A 65 -9.515 7.297 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.303 5.750 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.285 4.937 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.872 3.859 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.860 5.926 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.399 5.182 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.879 2.928 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.242 3.617 -2.693 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.372 4.216 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.221 3.651 -6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.513 3.819 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.042 4.431 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.681 4.262 -6.731 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.312 5.991 -3.065 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.884 5.887 -2.812 1.00 0.00 C ATOM 1016 C LEU A 66 -4.543 6.635 -1.521 1.00 0.00 C ATOM 1017 O LEU A 66 -3.759 6.149 -0.708 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.089 6.366 -4.028 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.089 5.432 -5.239 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.012 5.840 -6.246 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.945 3.972 -4.807 1.00 0.00 C ATOM 0 H LEU A 66 -6.558 6.251 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.598 4.846 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.486 7.332 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.056 6.530 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.052 5.525 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.033 5.160 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.201 6.857 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.033 5.794 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.948 3.330 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.007 3.843 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.777 3.701 -4.158 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.151 7.803 -1.373 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.923 8.621 -0.194 1.00 0.00 C ATOM 1035 C GLU A 67 -5.616 8.006 1.022 1.00 0.00 C ATOM 1036 O GLU A 67 -5.004 7.852 2.079 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.393 10.059 -0.425 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.340 10.864 -1.188 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.687 11.910 -0.282 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -2.772 11.514 0.474 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -4.116 13.080 -0.366 1.00 0.00 O ATOM 0 H GLU A 67 -5.801 8.202 -2.050 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.851 8.651 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.328 10.054 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.597 10.537 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.578 10.192 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.803 11.356 -2.043 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.884 7.671 0.834 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.668 7.076 1.903 1.00 0.00 C ATOM 1050 C LYS A 68 -6.919 5.866 2.467 1.00 0.00 C ATOM 1051 O LYS A 68 -6.715 5.767 3.675 1.00 0.00 O ATOM 1052 CB LYS A 68 -9.081 6.752 1.415 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.696 7.947 0.683 1.00 0.00 C ATOM 1054 CD LYS A 68 -11.021 8.362 1.329 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.582 9.621 0.666 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.086 10.834 1.354 1.00 0.00 N ATOM 0 H LYS A 68 -7.388 7.800 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.793 7.784 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.051 5.889 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.709 6.478 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.000 8.786 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.862 7.691 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.742 7.549 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.870 8.543 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.291 9.647 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.671 9.599 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.476 11.680 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.385 10.815 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.048 10.861 1.305 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.530 4.979 1.563 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.808 3.779 1.955 1.00 0.00 C ATOM 1072 C ILE A 69 -4.524 4.179 2.685 1.00 0.00 C ATOM 1073 O ILE A 69 -4.233 3.664 3.763 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.572 2.877 0.743 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.895 2.495 0.077 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.749 1.646 1.128 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.725 2.352 -1.437 1.00 0.00 C ATOM 0 H ILE A 69 -6.701 5.066 0.561 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.400 3.187 2.653 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.992 3.437 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.260 1.557 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.647 3.254 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.595 1.021 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.783 1.963 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.281 1.076 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.680 2.080 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.383 3.299 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.990 1.575 -1.649 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.789 5.092 2.067 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.543 5.566 2.644 1.00 0.00 C ATOM 1091 C LEU A 70 -2.829 6.224 3.994 1.00 0.00 C ATOM 1092 O LEU A 70 -1.991 6.194 4.894 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.809 6.478 1.658 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.977 5.774 0.585 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.803 6.666 -0.647 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.366 5.309 1.150 1.00 0.00 C ATOM 0 H LEU A 70 -4.033 5.516 1.172 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.869 4.731 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.545 7.111 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.152 7.138 2.224 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.517 4.883 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.208 6.142 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.781 6.905 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.296 7.587 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.938 4.812 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.925 6.170 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.194 4.613 1.971 1.00 0.00 H new ATOM 1108 N LYS A 71 -4.017 6.804 4.095 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.424 7.469 5.321 1.00 0.00 C ATOM 1110 C LYS A 71 -4.701 6.418 6.398 1.00 0.00 C ATOM 1111 O LYS A 71 -4.566 6.693 7.589 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.605 8.405 5.057 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.219 9.862 5.317 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.454 10.765 5.315 1.00 0.00 C ATOM 1115 CE LYS A 71 -6.055 12.241 5.252 1.00 0.00 C ATOM 1116 NZ LYS A 71 -7.217 13.106 5.554 1.00 0.00 N ATOM 0 H LYS A 71 -4.710 6.827 3.347 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.621 8.105 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.939 8.292 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.443 8.128 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.708 9.941 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.517 10.198 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.087 10.519 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.044 10.582 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.253 12.438 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.667 12.477 4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.928 14.104 5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.971 12.930 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.570 12.892 6.509 1.00 0.00 H new ATOM 1130 N ALA A 72 -5.083 5.235 5.940 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.381 4.141 6.849 1.00 0.00 C ATOM 1132 C ALA A 72 -4.264 3.099 6.769 1.00 0.00 C ATOM 1133 O ALA A 72 -4.392 2.004 7.316 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.752 3.553 6.510 1.00 0.00 C ATOM 0 H ALA A 72 -5.193 5.010 4.951 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.426 4.499 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.975 2.733 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.514 4.326 6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.745 3.181 5.485 1.00 0.00 H new ATOM 1140 N ARG A 73 -3.194 3.476 6.086 1.00 0.00 N ATOM 1141 CA ARG A 73 -2.055 2.588 5.926 1.00 0.00 C ATOM 1142 C ARG A 73 -1.712 1.923 7.261 1.00 0.00 C ATOM 1143 O ARG A 73 -1.305 0.763 7.293 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.831 3.348 5.413 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.400 4.429 6.408 1.00 0.00 C ATOM 1146 CD ARG A 73 0.749 5.267 5.842 1.00 0.00 C ATOM 1147 NE ARG A 73 1.143 6.308 6.818 1.00 0.00 N ATOM 1148 CZ ARG A 73 1.848 6.066 7.931 1.00 0.00 C ATOM 1149 NH1 ARG A 73 2.241 4.817 8.216 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.161 7.072 8.758 1.00 0.00 N ATOM 0 H ARG A 73 -3.091 4.386 5.636 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.327 1.827 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.009 2.652 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.059 3.805 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.247 5.075 6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.090 3.964 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.601 4.626 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.444 5.732 4.905 1.00 0.00 H new ATOM 0 HE ARG A 73 0.860 7.270 6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.003 4.051 7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.778 4.632 9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.862 8.023 8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.698 6.887 9.605 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.888 2.687 8.329 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.601 2.186 9.663 1.00 0.00 C ATOM 1166 C GLU A 74 -2.676 1.187 10.097 1.00 0.00 C ATOM 1167 O GLU A 74 -2.362 0.128 10.638 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.482 3.335 10.667 1.00 0.00 C ATOM 1169 CG GLU A 74 -0.035 3.510 11.129 1.00 0.00 C ATOM 1170 CD GLU A 74 0.138 3.045 12.578 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.234 1.814 12.770 1.00 0.00 O ATOM 1172 OE2 GLU A 74 0.171 3.931 13.458 1.00 0.00 O ATOM 0 H GLU A 74 -2.226 3.649 8.298 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.642 1.669 9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.836 4.259 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.121 3.139 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.630 2.941 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.254 4.557 11.042 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.921 1.561 9.844 1.00 0.00 N ATOM 1180 CA HIS A 75 -5.045 0.711 10.203 1.00 0.00 C ATOM 1181 C HIS A 75 -5.001 -0.574 9.373 1.00 0.00 C ATOM 1182 O HIS A 75 -5.288 -1.656 9.883 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.366 1.467 10.054 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.727 2.314 11.252 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.293 1.786 12.399 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.596 3.654 11.467 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.490 2.775 13.260 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -7.058 3.931 12.681 1.00 0.00 N ATOM 0 H HIS A 75 -4.177 2.440 9.395 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.971 0.428 11.253 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.310 2.107 9.173 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.166 0.749 9.875 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.186 4.369 10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.918 2.681 14.247 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.085 4.856 13.109 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.639 -0.413 8.109 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.553 -1.547 7.205 1.00 0.00 C ATOM 1198 C VAL A 76 -3.815 -2.693 7.899 1.00 0.00 C ATOM 1199 O VAL A 76 -2.720 -2.503 8.424 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.894 -1.120 5.891 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.514 -2.339 5.047 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.801 -0.169 5.106 1.00 0.00 C ATOM 0 H VAL A 76 -4.402 0.486 7.689 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.549 -1.909 6.951 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.977 -0.583 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.048 -2.008 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.814 -2.962 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.410 -2.916 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.309 0.119 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.742 -0.669 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.998 0.721 5.703 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.445 -3.858 7.879 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.862 -5.035 8.500 1.00 0.00 C ATOM 1214 C ARG A 77 -4.267 -6.296 7.734 1.00 0.00 C ATOM 1215 O ARG A 77 -5.429 -6.455 7.363 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.308 -5.168 9.957 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.749 -6.444 10.589 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.619 -6.122 11.568 1.00 0.00 C ATOM 1219 NE ARG A 77 -3.140 -5.321 12.698 1.00 0.00 N ATOM 1220 CZ ARG A 77 -2.397 -4.911 13.735 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -1.095 -5.224 13.791 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -2.955 -4.188 14.715 1.00 0.00 N ATOM 0 H ARG A 77 -5.354 -4.012 7.442 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.778 -4.921 8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.972 -4.300 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.397 -5.180 10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.546 -6.975 11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.380 -7.109 9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.175 -7.045 11.940 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.829 -5.573 11.056 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.127 -5.065 12.687 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.670 -5.774 13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.529 -4.912 14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.946 -3.949 14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.389 -3.876 15.504 1.00 0.00 H new ATOM 1236 N MET A 78 -3.286 -7.160 7.518 1.00 0.00 N ATOM 1237 CA MET A 78 -3.526 -8.402 6.802 1.00 0.00 C ATOM 1238 C MET A 78 -3.427 -9.604 7.742 1.00 0.00 C ATOM 1239 O MET A 78 -2.608 -9.613 8.661 1.00 0.00 O ATOM 1240 CB MET A 78 -2.500 -8.548 5.676 1.00 0.00 C ATOM 1241 CG MET A 78 -2.844 -7.633 4.500 1.00 0.00 C ATOM 1242 SD MET A 78 -1.532 -7.675 3.290 1.00 0.00 S ATOM 1243 CE MET A 78 -2.238 -6.625 2.030 1.00 0.00 C ATOM 0 H MET A 78 -2.323 -7.025 7.826 1.00 0.00 H new ATOM 0 HA MET A 78 -4.533 -8.372 6.386 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.506 -8.306 6.051 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.470 -9.584 5.339 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.781 -7.951 4.043 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.991 -6.613 4.853 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.461 -5.984 1.613 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.663 -7.242 1.238 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.022 -6.007 2.468 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.272 -10.591 7.481 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.291 -11.796 8.292 1.00 0.00 C ATOM 1255 C VAL A 79 -4.413 -13.018 7.380 1.00 0.00 C ATOM 1256 O VAL A 79 -5.409 -13.175 6.677 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.411 -11.711 9.331 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.486 -12.992 10.163 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.235 -10.483 10.228 1.00 0.00 C ATOM 0 H VAL A 79 -4.949 -10.580 6.718 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.358 -11.897 8.847 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.355 -11.603 8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.290 -12.905 10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.682 -13.841 9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.540 -13.145 10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.044 -10.446 10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.280 -10.547 10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.256 -9.580 9.617 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.384 -13.852 7.422 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.364 -15.056 6.608 1.00 0.00 C ATOM 1271 C ILE A 80 -4.445 -16.020 7.103 1.00 0.00 C ATOM 1272 O ILE A 80 -4.279 -16.666 8.136 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.962 -15.665 6.586 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.916 -14.617 6.198 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.909 -16.891 5.673 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.054 -14.222 4.726 1.00 0.00 C ATOM 0 H ILE A 80 -2.559 -13.718 8.006 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.599 -14.818 5.571 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.722 -16.004 7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.030 -13.734 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.084 -15.011 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.900 -17.304 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.610 -17.644 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.179 -16.600 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.299 -13.476 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.915 -15.102 4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.046 -13.805 4.553 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.528 -16.085 6.342 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.635 -16.959 6.690 1.00 0.00 C ATOM 1290 C ILE A 81 -6.249 -18.408 6.392 1.00 0.00 C ATOM 1291 O ILE A 81 -6.374 -19.278 7.253 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.916 -16.507 5.986 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.321 -15.101 6.433 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.043 -17.520 6.194 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.408 -15.014 7.958 1.00 0.00 C ATOM 0 H ILE A 81 -5.662 -15.547 5.486 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.846 -16.898 7.758 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.718 -16.460 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.596 -14.375 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.284 -14.840 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.942 -17.174 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.744 -18.486 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.248 -17.623 7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.698 -14.004 8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.152 -15.724 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.437 -15.252 8.392 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.786 -18.624 5.169 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.380 -19.954 4.746 1.00 0.00 C ATOM 1309 C ASN A 82 -4.105 -19.851 3.908 1.00 0.00 C ATOM 1310 O ASN A 82 -3.931 -18.898 3.151 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.460 -20.612 3.885 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.597 -22.099 4.219 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -5.626 -22.805 4.435 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -7.853 -22.533 4.249 1.00 0.00 N ATOM 0 H ASN A 82 -5.683 -17.900 4.458 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.215 -20.556 5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.414 -20.110 4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.211 -20.494 2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.050 -23.511 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.620 -21.888 4.058 1.00 0.00 H new ATOM 1321 N GLN A 83 -3.245 -20.846 4.072 1.00 0.00 N ATOM 1322 CA GLN A 83 -1.990 -20.879 3.339 1.00 0.00 C ATOM 1323 C GLN A 83 -2.190 -21.541 1.975 1.00 0.00 C ATOM 1324 O GLN A 83 -3.090 -22.361 1.804 1.00 0.00 O ATOM 1325 CB GLN A 83 -0.904 -21.597 4.143 1.00 0.00 C ATOM 1326 CG GLN A 83 0.279 -20.668 4.417 1.00 0.00 C ATOM 1327 CD GLN A 83 1.289 -21.330 5.357 1.00 0.00 C ATOM 1328 OE1 GLN A 83 0.942 -22.072 6.260 1.00 0.00 O ATOM 1329 NE2 GLN A 83 2.556 -21.019 5.094 1.00 0.00 N ATOM 0 H GLN A 83 -3.392 -21.635 4.701 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.658 -19.853 3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.319 -21.951 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.562 -22.475 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.767 -20.408 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.079 -19.738 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.777 -20.391 4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.306 -21.409 5.665 1.00 0.00 H new ATOM 1338 N SER A 84 -1.335 -21.160 1.037 1.00 0.00 N ATOM 1339 CA SER A 84 -1.406 -21.706 -0.308 1.00 0.00 C ATOM 1340 C SER A 84 -0.309 -21.093 -1.180 1.00 0.00 C ATOM 1341 O SER A 84 -0.479 -20.003 -1.723 1.00 0.00 O ATOM 1342 CB SER A 84 -2.781 -21.458 -0.931 1.00 0.00 C ATOM 1343 OG SER A 84 -3.042 -20.068 -1.112 1.00 0.00 O ATOM 0 H SER A 84 -0.589 -20.479 1.182 1.00 0.00 H new ATOM 0 HA SER A 84 -1.254 -22.784 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.840 -21.966 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.552 -21.892 -0.294 1.00 0.00 H new ATOM 0 HG SER A 84 -2.214 -19.610 -1.367 1.00 0.00 H new ATOM 1349 N GLY A 85 0.793 -21.821 -1.288 1.00 0.00 N ATOM 1350 CA GLY A 85 1.918 -21.363 -2.086 1.00 0.00 C ATOM 1351 C GLY A 85 3.165 -21.178 -1.219 1.00 0.00 C ATOM 1352 O GLY A 85 3.189 -20.325 -0.334 1.00 0.00 O ATOM 0 H GLY A 85 0.931 -22.725 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.124 -22.083 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.665 -20.420 -2.571 1.00 0.00 H new ATOM 1356 N PRO A 86 4.197 -22.014 -1.511 1.00 0.00 N ATOM 1357 CA PRO A 86 5.444 -21.950 -0.769 1.00 0.00 C ATOM 1358 C PRO A 86 6.269 -20.730 -1.185 1.00 0.00 C ATOM 1359 O PRO A 86 6.645 -19.914 -0.344 1.00 0.00 O ATOM 1360 CB PRO A 86 6.144 -23.267 -1.062 1.00 0.00 C ATOM 1361 CG PRO A 86 5.486 -23.819 -2.316 1.00 0.00 C ATOM 1362 CD PRO A 86 4.204 -23.036 -2.553 1.00 0.00 C ATOM 0 HA PRO A 86 5.289 -21.825 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.212 -23.116 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.037 -23.960 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.155 -23.724 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.269 -24.881 -2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.191 -22.589 -3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.328 -23.680 -2.482 1.00 0.00 H new ATOM 1370 N SER A 87 6.526 -20.643 -2.482 1.00 0.00 N ATOM 1371 CA SER A 87 7.299 -19.537 -3.019 1.00 0.00 C ATOM 1372 C SER A 87 6.981 -19.349 -4.504 1.00 0.00 C ATOM 1373 O SER A 87 6.736 -20.321 -5.218 1.00 0.00 O ATOM 1374 CB SER A 87 8.799 -19.765 -2.822 1.00 0.00 C ATOM 1375 OG SER A 87 9.547 -18.563 -2.985 1.00 0.00 O ATOM 0 H SER A 87 6.212 -21.321 -3.177 1.00 0.00 H new ATOM 0 HA SER A 87 7.023 -18.632 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.976 -20.170 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.150 -20.510 -3.536 1.00 0.00 H new ATOM 0 HG SER A 87 10.500 -18.750 -2.850 1.00 0.00 H new ATOM 1381 N SER A 88 6.995 -18.093 -4.926 1.00 0.00 N ATOM 1382 CA SER A 88 6.711 -17.766 -6.313 1.00 0.00 C ATOM 1383 C SER A 88 7.847 -16.922 -6.894 1.00 0.00 C ATOM 1384 O SER A 88 7.974 -15.741 -6.575 1.00 0.00 O ATOM 1385 CB SER A 88 5.379 -17.024 -6.442 1.00 0.00 C ATOM 1386 OG SER A 88 4.625 -17.472 -7.565 1.00 0.00 O ATOM 0 H SER A 88 7.199 -17.290 -4.332 1.00 0.00 H new ATOM 0 HA SER A 88 6.634 -18.697 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.795 -17.167 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.567 -15.954 -6.535 1.00 0.00 H new ATOM 0 HG SER A 88 3.781 -16.976 -7.612 1.00 0.00 H new ATOM 1392 N GLY A 89 8.644 -17.561 -7.738 1.00 0.00 N ATOM 1393 CA GLY A 89 9.766 -16.885 -8.366 1.00 0.00 C ATOM 1394 C GLY A 89 11.091 -17.326 -7.744 1.00 0.00 C ATOM 1395 O GLY A 89 11.556 -18.439 -7.988 1.00 0.00 O ATOM 0 H GLY A 89 8.535 -18.540 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.773 -17.100 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.651 -15.806 -8.259 1.00 0.00 H new TER 1399 GLY A 89