USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 480 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 51 ASN : amide:sc= 0.0715 K(o=0.072,f=-2.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 87:sc= 0.757 USER MOD Single : A 58 SER OG : rot 98:sc= 0.0095 USER MOD Single : A 63 ASN : amide:sc= 0.645 K(o=0.64,f=-0.064) USER MOD Single : A 73 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.021) USER MOD Single : A 74 ASN : amide:sc= -0.0509 K(o=-0.051,f=-0.9) USER MOD Single : A 77 ASN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.6 K(o=-1.6,f=-9.8!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.404 K(o=-0.4,f=-5.7!) USER MOD Single : A 85 ASN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 87 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.095) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.474 K(o=-0.47,f=-4!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 165:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -103:sc= 0.739 (180deg=-0.423) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -156:sc= 1.2 (180deg=0.878) USER MOD Single : A 107 GLN : amide:sc= -0.419! C(o=-0.42!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 48 0.196 12.476 -5.022 1.00 0.00 N ATOM 9 CA GLU A 48 0.635 11.186 -5.561 1.00 0.00 C ATOM 10 C GLU A 48 0.814 10.140 -4.482 1.00 0.00 C ATOM 11 O GLU A 48 0.250 9.065 -4.596 1.00 0.00 O ATOM 12 CB GLU A 48 1.980 11.375 -6.270 1.00 0.00 C ATOM 13 CG GLU A 48 2.797 10.091 -6.482 1.00 0.00 C ATOM 14 CD GLU A 48 3.954 10.282 -7.457 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.788 11.196 -7.238 1.00 0.00 O ATOM 16 OE2 GLU A 48 4.045 9.495 -8.427 1.00 0.00 O ATOM 0 HA GLU A 48 -0.138 10.839 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.798 11.835 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.581 12.077 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.188 9.752 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.140 9.305 -6.854 1.00 0.00 H new ATOM 23 N VAL A 49 1.562 10.450 -3.427 1.00 0.00 N ATOM 24 CA VAL A 49 1.814 9.510 -2.339 1.00 0.00 C ATOM 25 C VAL A 49 0.514 8.841 -1.874 1.00 0.00 C ATOM 26 O VAL A 49 0.456 7.620 -1.821 1.00 0.00 O ATOM 27 CB VAL A 49 2.654 10.191 -1.248 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.988 11.465 -0.725 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.989 9.234 -0.101 1.00 0.00 C ATOM 0 H VAL A 49 2.010 11.358 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 49 2.422 8.673 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 49 3.594 10.481 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.616 11.914 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.859 12.171 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.014 11.219 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.584 9.757 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.066 8.875 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.556 8.387 -0.488 1.00 0.00 H new ATOM 39 N ARG A 50 -0.563 9.590 -1.603 1.00 0.00 N ATOM 40 CA ARG A 50 -1.818 8.947 -1.184 1.00 0.00 C ATOM 41 C ARG A 50 -2.380 8.047 -2.285 1.00 0.00 C ATOM 42 O ARG A 50 -2.968 7.019 -1.966 1.00 0.00 O ATOM 43 CB ARG A 50 -2.918 9.954 -0.846 1.00 0.00 C ATOM 44 CG ARG A 50 -2.813 10.552 0.557 1.00 0.00 C ATOM 45 CD ARG A 50 -4.185 11.107 0.942 1.00 0.00 C ATOM 46 NE ARG A 50 -4.238 11.580 2.335 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.281 11.407 3.157 1.00 0.00 C ATOM 48 NH1 ARG A 50 -6.412 10.858 2.732 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.191 11.797 4.419 1.00 0.00 N ATOM 0 H ARG A 50 -0.595 10.608 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.553 8.373 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.891 10.763 -1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.887 9.465 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.496 9.792 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.063 11.343 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.440 11.930 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.939 10.333 0.797 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.423 12.074 2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.500 10.558 1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.193 10.736 3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.331 12.226 4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.982 11.668 5.050 1.00 0.00 H new ATOM 63 N ASN A 51 -2.232 8.456 -3.545 1.00 0.00 N ATOM 64 CA ASN A 51 -2.719 7.749 -4.716 1.00 0.00 C ATOM 65 C ASN A 51 -2.068 6.383 -4.821 1.00 0.00 C ATOM 66 O ASN A 51 -2.781 5.380 -4.842 1.00 0.00 O ATOM 67 CB ASN A 51 -2.504 8.541 -6.016 1.00 0.00 C ATOM 68 CG ASN A 51 -3.071 9.949 -5.996 1.00 0.00 C ATOM 69 OD1 ASN A 51 -2.675 10.790 -5.182 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.966 10.241 -6.915 1.00 0.00 N ATOM 0 H ASN A 51 -1.750 9.323 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.795 7.628 -4.587 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.435 8.596 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.958 7.992 -6.841 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.353 11.183 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.273 9.525 -7.573 1.00 0.00 H new ATOM 77 N ILE A 52 -0.732 6.337 -4.874 1.00 0.00 N ATOM 78 CA ILE A 52 0.014 5.089 -4.979 1.00 0.00 C ATOM 79 C ILE A 52 -0.242 4.209 -3.760 1.00 0.00 C ATOM 80 O ILE A 52 -0.326 2.993 -3.907 1.00 0.00 O ATOM 81 CB ILE A 52 1.526 5.343 -5.177 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.248 4.030 -5.503 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.206 5.946 -3.947 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.448 4.232 -6.425 1.00 0.00 C ATOM 0 H ILE A 52 -0.142 7.168 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.341 4.561 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 52 1.597 6.057 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.581 3.563 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.546 3.341 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.265 6.098 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.742 6.903 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.096 5.267 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.921 3.270 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.115 4.672 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.166 4.898 -5.947 1.00 0.00 H new ATOM 96 N VAL A 53 -0.372 4.818 -2.578 1.00 0.00 N ATOM 97 CA VAL A 53 -0.619 4.149 -1.319 1.00 0.00 C ATOM 98 C VAL A 53 -1.932 3.390 -1.471 1.00 0.00 C ATOM 99 O VAL A 53 -1.941 2.159 -1.417 1.00 0.00 O ATOM 100 CB VAL A 53 -0.582 5.215 -0.192 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.331 4.867 1.084 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.857 5.538 0.228 1.00 0.00 C ATOM 0 H VAL A 53 -0.304 5.831 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 53 0.135 3.412 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.088 6.061 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.234 5.685 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.385 4.707 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.912 3.958 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.846 6.288 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.341 4.633 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.409 5.923 -0.630 1.00 0.00 H new ATOM 112 N ASP A 54 -3.032 4.109 -1.686 1.00 0.00 N ATOM 113 CA ASP A 54 -4.385 3.580 -1.847 1.00 0.00 C ATOM 114 C ASP A 54 -4.431 2.473 -2.901 1.00 0.00 C ATOM 115 O ASP A 54 -4.901 1.367 -2.629 1.00 0.00 O ATOM 116 CB ASP A 54 -5.306 4.759 -2.183 1.00 0.00 C ATOM 117 CG ASP A 54 -6.667 4.348 -2.740 1.00 0.00 C ATOM 118 OD1 ASP A 54 -7.611 4.178 -1.946 1.00 0.00 O ATOM 119 OD2 ASP A 54 -6.804 4.320 -3.982 1.00 0.00 O ATOM 0 H ASP A 54 -3.002 5.126 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.726 3.110 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.459 5.355 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.807 5.401 -2.909 1.00 0.00 H new ATOM 124 N LYS A 55 -3.864 2.732 -4.079 1.00 0.00 N ATOM 125 CA LYS A 55 -3.840 1.784 -5.180 1.00 0.00 C ATOM 126 C LYS A 55 -3.055 0.538 -4.816 1.00 0.00 C ATOM 127 O LYS A 55 -3.539 -0.567 -5.072 1.00 0.00 O ATOM 128 CB LYS A 55 -3.305 2.490 -6.425 1.00 0.00 C ATOM 129 CG LYS A 55 -4.402 3.429 -6.939 1.00 0.00 C ATOM 130 CD LYS A 55 -3.979 4.333 -8.101 1.00 0.00 C ATOM 131 CE LYS A 55 -3.701 3.555 -9.395 1.00 0.00 C ATOM 132 NZ LYS A 55 -2.267 3.553 -9.744 1.00 0.00 N ATOM 0 H LYS A 55 -3.405 3.617 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.850 1.436 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.402 3.052 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.035 1.762 -7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.256 2.829 -7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.741 4.056 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.762 5.068 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.084 4.886 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.048 2.528 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.272 3.996 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.125 3.017 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.941 4.531 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.724 3.109 -8.976 1.00 0.00 H new ATOM 146 N THR A 56 -1.867 0.684 -4.234 1.00 0.00 N ATOM 147 CA THR A 56 -1.084 -0.474 -3.837 1.00 0.00 C ATOM 148 C THR A 56 -1.836 -1.277 -2.771 1.00 0.00 C ATOM 149 O THR A 56 -1.811 -2.509 -2.832 1.00 0.00 O ATOM 150 CB THR A 56 0.300 -0.008 -3.376 1.00 0.00 C ATOM 151 OG1 THR A 56 0.929 0.556 -4.506 1.00 0.00 O ATOM 152 CG2 THR A 56 1.166 -1.160 -2.850 1.00 0.00 C ATOM 0 H THR A 56 -1.433 1.584 -4.030 1.00 0.00 H new ATOM 0 HA THR A 56 -0.937 -1.147 -4.681 1.00 0.00 H new ATOM 0 HB THR A 56 0.185 0.700 -2.556 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.682 1.502 -4.580 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.136 -0.773 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.671 -1.629 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.308 -1.898 -3.639 1.00 0.00 H new ATOM 160 N ALA A 57 -2.516 -0.612 -1.822 1.00 0.00 N ATOM 161 CA ALA A 57 -3.254 -1.322 -0.783 1.00 0.00 C ATOM 162 C ALA A 57 -4.296 -2.202 -1.467 1.00 0.00 C ATOM 163 O ALA A 57 -4.292 -3.389 -1.195 1.00 0.00 O ATOM 164 CB ALA A 57 -3.898 -0.403 0.255 1.00 0.00 C ATOM 0 H ALA A 57 -2.566 0.405 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.547 -1.926 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.428 -1.004 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.125 0.183 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.601 0.268 -0.239 1.00 0.00 H new ATOM 170 N SER A 58 -5.109 -1.691 -2.394 1.00 0.00 N ATOM 171 CA SER A 58 -6.129 -2.476 -3.097 1.00 0.00 C ATOM 172 C SER A 58 -5.626 -3.882 -3.484 1.00 0.00 C ATOM 173 O SER A 58 -6.207 -4.895 -3.102 1.00 0.00 O ATOM 174 CB SER A 58 -6.585 -1.675 -4.323 1.00 0.00 C ATOM 175 OG SER A 58 -7.593 -2.340 -5.047 1.00 0.00 O ATOM 0 H SER A 58 -5.079 -0.713 -2.681 1.00 0.00 H new ATOM 0 HA SER A 58 -6.975 -2.646 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.953 -0.701 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.731 -1.494 -4.975 1.00 0.00 H new ATOM 0 HG SER A 58 -8.469 -1.982 -4.792 1.00 0.00 H new ATOM 181 N PHE A 59 -4.491 -3.973 -4.177 1.00 0.00 N ATOM 182 CA PHE A 59 -3.933 -5.253 -4.602 1.00 0.00 C ATOM 183 C PHE A 59 -3.474 -6.124 -3.431 1.00 0.00 C ATOM 184 O PHE A 59 -3.720 -7.333 -3.430 1.00 0.00 O ATOM 185 CB PHE A 59 -2.770 -4.957 -5.537 1.00 0.00 C ATOM 186 CG PHE A 59 -2.311 -6.143 -6.351 1.00 0.00 C ATOM 187 CD1 PHE A 59 -2.953 -6.445 -7.567 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.263 -6.959 -5.887 1.00 0.00 C ATOM 189 CE1 PHE A 59 -2.540 -7.555 -8.323 1.00 0.00 C ATOM 190 CE2 PHE A 59 -0.853 -8.065 -6.648 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.486 -8.363 -7.866 1.00 0.00 C ATOM 0 H PHE A 59 -3.936 -3.165 -4.458 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.711 -5.826 -5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.060 -4.155 -6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.930 -4.588 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.763 -5.823 -7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.776 -6.735 -4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.033 -7.787 -9.256 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.046 -8.690 -6.295 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.163 -9.212 -8.450 1.00 0.00 H new ATOM 201 N VAL A 60 -2.758 -5.534 -2.472 1.00 0.00 N ATOM 202 CA VAL A 60 -2.258 -6.224 -1.284 1.00 0.00 C ATOM 203 C VAL A 60 -3.431 -6.738 -0.437 1.00 0.00 C ATOM 204 O VAL A 60 -3.338 -7.792 0.182 1.00 0.00 O ATOM 205 CB VAL A 60 -1.241 -5.334 -0.561 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.737 -6.017 0.707 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.020 -5.058 -1.460 1.00 0.00 C ATOM 0 H VAL A 60 -2.506 -4.546 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.703 -7.124 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.746 -4.400 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.016 -5.370 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.577 -6.209 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.258 -6.961 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.689 -4.425 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.461 -6.001 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.345 -4.553 -2.370 1.00 0.00 H new ATOM 217 N ALA A 61 -4.552 -6.030 -0.452 1.00 0.00 N ATOM 218 CA ALA A 61 -5.751 -6.362 0.271 1.00 0.00 C ATOM 219 C ALA A 61 -6.390 -7.558 -0.423 1.00 0.00 C ATOM 220 O ALA A 61 -6.762 -8.519 0.247 1.00 0.00 O ATOM 221 CB ALA A 61 -6.667 -5.130 0.245 1.00 0.00 C ATOM 0 H ALA A 61 -4.644 -5.172 -0.996 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.556 -6.626 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.587 -5.349 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.160 -4.289 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.905 -4.875 -0.788 1.00 0.00 H new ATOM 227 N ARG A 62 -6.484 -7.519 -1.759 1.00 0.00 N ATOM 228 CA ARG A 62 -7.099 -8.616 -2.490 1.00 0.00 C ATOM 229 C ARG A 62 -6.325 -9.919 -2.366 1.00 0.00 C ATOM 230 O ARG A 62 -6.884 -10.928 -1.944 1.00 0.00 O ATOM 231 CB ARG A 62 -7.252 -8.249 -3.974 1.00 0.00 C ATOM 232 CG ARG A 62 -8.380 -7.244 -4.205 1.00 0.00 C ATOM 233 CD ARG A 62 -8.882 -7.318 -5.648 1.00 0.00 C ATOM 234 NE ARG A 62 -10.006 -6.393 -5.863 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.320 -5.793 -7.013 1.00 0.00 C ATOM 236 NH1 ARG A 62 -9.631 -6.043 -8.122 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.324 -4.929 -7.071 1.00 0.00 N ATOM 0 H ARG A 62 -6.147 -6.751 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.079 -8.776 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.315 -7.832 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.448 -9.152 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.201 -7.447 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.026 -6.236 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.070 -7.074 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.196 -8.337 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.600 -6.192 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.851 -6.701 -8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.882 -5.577 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.864 -4.718 -6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.556 -4.476 -7.955 1.00 0.00 H new ATOM 251 N ASN A 63 -5.048 -9.895 -2.739 1.00 0.00 N ATOM 252 CA ASN A 63 -4.189 -11.078 -2.723 1.00 0.00 C ATOM 253 C ASN A 63 -3.839 -11.539 -1.309 1.00 0.00 C ATOM 254 O ASN A 63 -3.890 -12.735 -1.025 1.00 0.00 O ATOM 255 CB ASN A 63 -2.885 -10.821 -3.492 1.00 0.00 C ATOM 256 CG ASN A 63 -3.051 -10.612 -4.994 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.731 -11.476 -5.810 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.522 -9.447 -5.410 1.00 0.00 N ATOM 0 H ASN A 63 -4.577 -9.050 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.763 -11.868 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.400 -9.941 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.213 -11.664 -3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.620 -9.264 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.787 -8.732 -4.732 1.00 0.00 H new ATOM 265 N GLY A 64 -3.484 -10.608 -0.423 1.00 0.00 N ATOM 266 CA GLY A 64 -3.112 -10.875 0.957 1.00 0.00 C ATOM 267 C GLY A 64 -1.806 -10.159 1.327 1.00 0.00 C ATOM 268 O GLY A 64 -1.067 -9.693 0.450 1.00 0.00 O ATOM 0 H GLY A 64 -3.448 -9.616 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.911 -10.547 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.996 -11.949 1.104 1.00 0.00 H new ATOM 272 N PRO A 65 -1.460 -10.115 2.628 1.00 0.00 N ATOM 273 CA PRO A 65 -0.259 -9.454 3.135 1.00 0.00 C ATOM 274 C PRO A 65 1.045 -10.072 2.634 1.00 0.00 C ATOM 275 O PRO A 65 2.107 -9.476 2.832 1.00 0.00 O ATOM 276 CB PRO A 65 -0.358 -9.497 4.662 1.00 0.00 C ATOM 277 CG PRO A 65 -1.287 -10.678 4.922 1.00 0.00 C ATOM 278 CD PRO A 65 -2.240 -10.644 3.734 1.00 0.00 C ATOM 0 HA PRO A 65 -0.221 -8.431 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.618 -9.644 5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.765 -8.569 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.738 -11.618 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.819 -10.571 5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.619 -11.640 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.105 -10.014 3.942 1.00 0.00 H new ATOM 286 N GLU A 66 0.996 -11.241 1.988 1.00 0.00 N ATOM 287 CA GLU A 66 2.185 -11.885 1.451 1.00 0.00 C ATOM 288 C GLU A 66 2.863 -10.964 0.425 1.00 0.00 C ATOM 289 O GLU A 66 4.093 -10.958 0.318 1.00 0.00 O ATOM 290 CB GLU A 66 1.860 -13.259 0.831 1.00 0.00 C ATOM 291 CG GLU A 66 0.695 -13.284 -0.185 1.00 0.00 C ATOM 292 CD GLU A 66 0.950 -14.227 -1.370 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.632 -15.263 -1.214 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.562 -13.882 -2.509 1.00 0.00 O ATOM 0 H GLU A 66 0.133 -11.760 1.826 1.00 0.00 H new ATOM 0 HA GLU A 66 2.875 -12.063 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.756 -13.633 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.628 -13.954 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.218 -13.590 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.527 -12.275 -0.561 1.00 0.00 H new ATOM 301 N PHE A 67 2.063 -10.180 -0.310 1.00 0.00 N ATOM 302 CA PHE A 67 2.540 -9.242 -1.316 1.00 0.00 C ATOM 303 C PHE A 67 3.171 -8.021 -0.688 1.00 0.00 C ATOM 304 O PHE A 67 4.082 -7.445 -1.273 1.00 0.00 O ATOM 305 CB PHE A 67 1.399 -8.775 -2.219 1.00 0.00 C ATOM 306 CG PHE A 67 1.269 -9.628 -3.448 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.077 -9.368 -4.569 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.381 -10.709 -3.454 1.00 0.00 C ATOM 309 CE1 PHE A 67 1.967 -10.176 -5.713 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.263 -11.498 -4.606 1.00 0.00 C ATOM 311 CZ PHE A 67 1.054 -11.240 -5.736 1.00 0.00 C ATOM 0 H PHE A 67 1.047 -10.186 -0.214 1.00 0.00 H new ATOM 0 HA PHE A 67 3.287 -9.776 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.463 -8.798 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.570 -7.739 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.781 -8.549 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.209 -10.934 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.586 -9.977 -6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.445 -12.314 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.960 -11.857 -6.618 1.00 0.00 H new ATOM 321 N GLU A 68 2.677 -7.612 0.476 1.00 0.00 N ATOM 322 CA GLU A 68 3.183 -6.448 1.169 1.00 0.00 C ATOM 323 C GLU A 68 4.674 -6.611 1.435 1.00 0.00 C ATOM 324 O GLU A 68 5.440 -5.677 1.230 1.00 0.00 O ATOM 325 CB GLU A 68 2.390 -6.269 2.470 1.00 0.00 C ATOM 326 CG GLU A 68 2.468 -4.855 3.031 1.00 0.00 C ATOM 327 CD GLU A 68 1.356 -4.619 4.051 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.187 -4.495 3.631 1.00 0.00 O ATOM 329 OE2 GLU A 68 1.648 -4.472 5.268 1.00 0.00 O ATOM 0 H GLU A 68 1.913 -8.084 0.960 1.00 0.00 H new ATOM 0 HA GLU A 68 3.057 -5.554 0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.346 -6.524 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.765 -6.970 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.439 -4.697 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.385 -4.131 2.220 1.00 0.00 H new ATOM 336 N ALA A 69 5.079 -7.809 1.859 1.00 0.00 N ATOM 337 CA ALA A 69 6.461 -8.120 2.166 1.00 0.00 C ATOM 338 C ALA A 69 7.308 -8.256 0.900 1.00 0.00 C ATOM 339 O ALA A 69 8.441 -7.774 0.876 1.00 0.00 O ATOM 340 CB ALA A 69 6.500 -9.426 2.957 1.00 0.00 C ATOM 0 H ALA A 69 4.443 -8.594 1.998 1.00 0.00 H new ATOM 0 HA ALA A 69 6.881 -7.302 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.534 -9.675 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.931 -9.310 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.063 -10.226 2.360 1.00 0.00 H new ATOM 346 N ARG A 70 6.780 -8.927 -0.133 1.00 0.00 N ATOM 347 CA ARG A 70 7.474 -9.130 -1.402 1.00 0.00 C ATOM 348 C ARG A 70 7.779 -7.789 -2.041 1.00 0.00 C ATOM 349 O ARG A 70 8.942 -7.478 -2.281 1.00 0.00 O ATOM 350 CB ARG A 70 6.613 -9.978 -2.351 1.00 0.00 C ATOM 351 CG ARG A 70 6.818 -11.482 -2.143 1.00 0.00 C ATOM 352 CD ARG A 70 5.589 -12.240 -2.635 1.00 0.00 C ATOM 353 NE ARG A 70 5.815 -13.695 -2.685 1.00 0.00 N ATOM 354 CZ ARG A 70 4.847 -14.620 -2.726 1.00 0.00 C ATOM 355 NH1 ARG A 70 3.582 -14.253 -2.887 1.00 0.00 N ATOM 356 NH2 ARG A 70 5.154 -15.904 -2.582 1.00 0.00 N ATOM 0 H ARG A 70 5.850 -9.346 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 70 8.408 -9.658 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.562 -9.733 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.854 -9.721 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.704 -11.816 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.989 -11.693 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.746 -12.027 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.317 -11.882 -3.628 1.00 0.00 H new ATOM 0 HE ARG A 70 6.781 -14.023 -2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.345 -13.265 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.846 -14.959 -2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.125 -16.184 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.419 -16.611 -2.613 1.00 0.00 H new ATOM 370 N ILE A 71 6.734 -7.008 -2.317 1.00 0.00 N ATOM 371 CA ILE A 71 6.844 -5.700 -2.946 1.00 0.00 C ATOM 372 C ILE A 71 7.801 -4.832 -2.125 1.00 0.00 C ATOM 373 O ILE A 71 8.692 -4.207 -2.705 1.00 0.00 O ATOM 374 CB ILE A 71 5.439 -5.077 -3.126 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.529 -5.936 -4.040 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.560 -3.675 -3.738 1.00 0.00 C ATOM 377 CD1 ILE A 71 3.052 -5.529 -3.955 1.00 0.00 C ATOM 0 H ILE A 71 5.773 -7.275 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 71 7.265 -5.783 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 71 4.986 -5.028 -2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.868 -5.845 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.629 -6.985 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.566 -3.245 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.151 -3.040 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.049 -3.743 -4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.461 -6.164 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.701 -5.646 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.943 -4.488 -4.259 1.00 0.00 H new ATOM 389 N ARG A 72 7.660 -4.819 -0.793 1.00 0.00 N ATOM 390 CA ARG A 72 8.525 -4.021 0.066 1.00 0.00 C ATOM 391 C ARG A 72 9.990 -4.376 -0.141 1.00 0.00 C ATOM 392 O ARG A 72 10.799 -3.462 -0.227 1.00 0.00 O ATOM 393 CB ARG A 72 8.100 -4.171 1.528 1.00 0.00 C ATOM 394 CG ARG A 72 8.831 -3.192 2.447 1.00 0.00 C ATOM 395 CD ARG A 72 8.095 -3.083 3.784 1.00 0.00 C ATOM 396 NE ARG A 72 8.446 -4.135 4.743 1.00 0.00 N ATOM 397 CZ ARG A 72 8.114 -4.078 6.037 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.313 -3.115 6.489 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.610 -4.976 6.876 1.00 0.00 N ATOM 0 H ARG A 72 6.952 -5.355 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 72 8.416 -2.972 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.025 -4.010 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.295 -5.191 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.854 -3.530 2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.891 -2.212 1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.312 -2.112 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.021 -3.116 3.600 1.00 0.00 H new ATOM 0 HE ARG A 72 8.966 -4.946 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.947 -2.413 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.065 -3.080 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.239 -5.702 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.363 -4.941 7.865 1.00 0.00 H new ATOM 413 N GLN A 73 10.338 -5.663 -0.213 1.00 0.00 N ATOM 414 CA GLN A 73 11.718 -6.085 -0.415 1.00 0.00 C ATOM 415 C GLN A 73 12.199 -5.722 -1.820 1.00 0.00 C ATOM 416 O GLN A 73 13.295 -5.187 -1.987 1.00 0.00 O ATOM 417 CB GLN A 73 11.858 -7.607 -0.204 1.00 0.00 C ATOM 418 CG GLN A 73 13.000 -7.963 0.755 1.00 0.00 C ATOM 419 CD GLN A 73 14.361 -7.436 0.322 1.00 0.00 C ATOM 420 OE1 GLN A 73 15.005 -7.955 -0.585 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.853 -6.411 0.994 1.00 0.00 N ATOM 0 H GLN A 73 9.674 -6.433 -0.133 1.00 0.00 H new ATOM 0 HA GLN A 73 12.334 -5.563 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.922 -8.004 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.031 -8.090 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.767 -7.568 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.056 -9.047 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.310 -5.986 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.776 -6.044 0.761 1.00 0.00 H new ATOM 430 N ASN A 74 11.375 -6.005 -2.829 1.00 0.00 N ATOM 431 CA ASN A 74 11.677 -5.758 -4.236 1.00 0.00 C ATOM 432 C ASN A 74 12.002 -4.298 -4.504 1.00 0.00 C ATOM 433 O ASN A 74 12.880 -4.008 -5.321 1.00 0.00 O ATOM 434 CB ASN A 74 10.508 -6.205 -5.134 1.00 0.00 C ATOM 435 CG ASN A 74 10.223 -7.697 -5.021 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.086 -8.471 -4.615 1.00 0.00 O ATOM 437 ND2 ASN A 74 9.017 -8.149 -5.337 1.00 0.00 N ATOM 0 H ASN A 74 10.456 -6.423 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 74 12.561 -6.348 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.612 -5.646 -4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.736 -5.960 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.804 -9.142 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.303 -7.504 -5.674 1.00 0.00 H new ATOM 444 N GLU A 75 11.366 -3.374 -3.787 1.00 0.00 N ATOM 445 CA GLU A 75 11.554 -1.939 -3.950 1.00 0.00 C ATOM 446 C GLU A 75 12.009 -1.263 -2.650 1.00 0.00 C ATOM 447 O GLU A 75 11.688 -0.104 -2.389 1.00 0.00 O ATOM 448 CB GLU A 75 10.279 -1.349 -4.568 1.00 0.00 C ATOM 449 CG GLU A 75 10.025 -1.819 -6.016 1.00 0.00 C ATOM 450 CD GLU A 75 10.818 -1.024 -7.061 1.00 0.00 C ATOM 451 OE1 GLU A 75 11.957 -0.574 -6.796 1.00 0.00 O ATOM 452 OE2 GLU A 75 10.320 -0.818 -8.189 1.00 0.00 O ATOM 0 H GLU A 75 10.690 -3.611 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 75 12.375 -1.741 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.424 -1.623 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.347 -0.261 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.285 -2.874 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.961 -1.735 -6.236 1.00 0.00 H new ATOM 459 N ILE A 76 12.803 -1.961 -1.829 1.00 0.00 N ATOM 460 CA ILE A 76 13.328 -1.418 -0.570 1.00 0.00 C ATOM 461 C ILE A 76 14.336 -0.277 -0.835 1.00 0.00 C ATOM 462 O ILE A 76 14.773 0.428 0.079 1.00 0.00 O ATOM 463 CB ILE A 76 13.927 -2.575 0.266 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.247 -2.200 1.724 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.186 -3.179 -0.373 1.00 0.00 C ATOM 466 CD1 ILE A 76 13.024 -1.763 2.533 1.00 0.00 C ATOM 0 H ILE A 76 13.100 -2.918 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 76 12.521 -0.969 0.009 1.00 0.00 H new ATOM 0 HB ILE A 76 13.130 -3.318 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.709 -3.056 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.981 -1.394 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.562 -3.985 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.940 -3.573 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.950 -2.408 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.330 -1.515 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.573 -0.888 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.297 -2.575 2.561 1.00 0.00 H new ATOM 478 N ASN A 77 14.730 -0.093 -2.095 1.00 0.00 N ATOM 479 CA ASN A 77 15.669 0.905 -2.592 1.00 0.00 C ATOM 480 C ASN A 77 14.937 1.893 -3.501 1.00 0.00 C ATOM 481 O ASN A 77 15.497 2.335 -4.503 1.00 0.00 O ATOM 482 CB ASN A 77 16.807 0.199 -3.350 1.00 0.00 C ATOM 483 CG ASN A 77 17.561 -0.766 -2.463 1.00 0.00 C ATOM 484 OD1 ASN A 77 18.246 -0.341 -1.537 1.00 0.00 O ATOM 485 ND2 ASN A 77 17.399 -2.059 -2.675 1.00 0.00 N ATOM 0 H ASN A 77 14.374 -0.682 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 77 16.098 1.461 -1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.395 -0.339 -4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.497 0.944 -3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 77 17.850 -2.737 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.823 -2.380 -3.453 1.00 0.00 H new ATOM 492 N ASN A 78 13.667 2.202 -3.215 1.00 0.00 N ATOM 493 CA ASN A 78 12.888 3.117 -4.038 1.00 0.00 C ATOM 494 C ASN A 78 11.832 3.852 -3.208 1.00 0.00 C ATOM 495 O ASN A 78 11.036 3.218 -2.506 1.00 0.00 O ATOM 496 CB ASN A 78 12.168 2.276 -5.082 1.00 0.00 C ATOM 497 CG ASN A 78 11.538 3.015 -6.246 1.00 0.00 C ATOM 498 OD1 ASN A 78 11.354 4.226 -6.247 1.00 0.00 O ATOM 499 ND2 ASN A 78 11.123 2.272 -7.248 1.00 0.00 N ATOM 0 H ASN A 78 13.160 1.826 -2.414 1.00 0.00 H new ATOM 0 HA ASN A 78 13.552 3.858 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.879 1.554 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.386 1.708 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.642 2.703 -8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.282 1.265 -7.236 1.00 0.00 H new ATOM 506 N PRO A 79 11.741 5.178 -3.342 1.00 0.00 N ATOM 507 CA PRO A 79 10.785 5.996 -2.622 1.00 0.00 C ATOM 508 C PRO A 79 9.361 5.697 -3.097 1.00 0.00 C ATOM 509 O PRO A 79 8.416 5.816 -2.316 1.00 0.00 O ATOM 510 CB PRO A 79 11.226 7.441 -2.853 1.00 0.00 C ATOM 511 CG PRO A 79 12.011 7.373 -4.157 1.00 0.00 C ATOM 512 CD PRO A 79 12.626 5.989 -4.137 1.00 0.00 C ATOM 0 HA PRO A 79 10.765 5.788 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.371 8.113 -2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.843 7.808 -2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.362 7.510 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.775 8.149 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.722 5.589 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.627 6.012 -3.707 1.00 0.00 H new ATOM 520 N LYS A 80 9.182 5.215 -4.334 1.00 0.00 N ATOM 521 CA LYS A 80 7.876 4.865 -4.895 1.00 0.00 C ATOM 522 C LYS A 80 7.178 3.760 -4.102 1.00 0.00 C ATOM 523 O LYS A 80 6.002 3.509 -4.352 1.00 0.00 O ATOM 524 CB LYS A 80 8.064 4.390 -6.344 1.00 0.00 C ATOM 525 CG LYS A 80 8.249 5.547 -7.332 1.00 0.00 C ATOM 526 CD LYS A 80 6.924 5.818 -8.048 1.00 0.00 C ATOM 527 CE LYS A 80 7.093 6.944 -9.062 1.00 0.00 C ATOM 528 NZ LYS A 80 5.959 6.969 -9.998 1.00 0.00 N ATOM 0 H LYS A 80 9.954 5.056 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 80 7.249 5.756 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.932 3.733 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.198 3.799 -6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.580 6.441 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.024 5.300 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.583 4.914 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.158 6.086 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.165 7.900 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.024 6.809 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.090 7.742 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.908 6.063 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.076 7.120 -9.470 1.00 0.00 H new ATOM 542 N PHE A 81 7.868 3.088 -3.178 1.00 0.00 N ATOM 543 CA PHE A 81 7.338 2.008 -2.360 1.00 0.00 C ATOM 544 C PHE A 81 7.766 2.158 -0.896 1.00 0.00 C ATOM 545 O PHE A 81 7.575 1.230 -0.106 1.00 0.00 O ATOM 546 CB PHE A 81 7.818 0.673 -2.948 1.00 0.00 C ATOM 547 CG PHE A 81 7.459 0.387 -4.409 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.130 1.029 -5.469 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.470 -0.560 -4.722 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.772 0.769 -6.805 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.084 -0.808 -6.050 1.00 0.00 C ATOM 552 CZ PHE A 81 6.746 -0.146 -7.098 1.00 0.00 C ATOM 0 H PHE A 81 8.847 3.293 -2.976 1.00 0.00 H new ATOM 0 HA PHE A 81 6.249 2.041 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.903 0.631 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.412 -0.132 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.926 1.727 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.995 -1.110 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.288 1.274 -7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.285 -1.502 -6.264 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.468 -0.339 -8.123 1.00 0.00 H new ATOM 562 N ASN A 82 8.361 3.290 -0.503 1.00 0.00 N ATOM 563 CA ASN A 82 8.801 3.502 0.876 1.00 0.00 C ATOM 564 C ASN A 82 7.639 3.508 1.872 1.00 0.00 C ATOM 565 O ASN A 82 7.851 3.191 3.040 1.00 0.00 O ATOM 566 CB ASN A 82 9.650 4.775 1.020 1.00 0.00 C ATOM 567 CG ASN A 82 8.934 6.098 0.750 1.00 0.00 C ATOM 568 OD1 ASN A 82 7.712 6.190 0.743 1.00 0.00 O ATOM 569 ND2 ASN A 82 9.684 7.142 0.453 1.00 0.00 N ATOM 0 H ASN A 82 8.548 4.076 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 82 9.432 2.648 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.054 4.805 2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.498 4.700 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.247 8.033 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.701 7.058 0.461 1.00 0.00 H new ATOM 576 N PHE A 83 6.407 3.760 1.420 1.00 0.00 N ATOM 577 CA PHE A 83 5.230 3.801 2.283 1.00 0.00 C ATOM 578 C PHE A 83 4.926 2.429 2.902 1.00 0.00 C ATOM 579 O PHE A 83 4.191 2.330 3.889 1.00 0.00 O ATOM 580 CB PHE A 83 4.045 4.393 1.510 1.00 0.00 C ATOM 581 CG PHE A 83 3.617 3.610 0.280 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.820 2.457 0.432 1.00 0.00 C ATOM 583 CD2 PHE A 83 3.985 4.021 -1.018 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.381 1.746 -0.697 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.587 3.280 -2.125 1.00 0.00 C ATOM 586 CZ PHE A 83 2.732 2.187 -1.978 1.00 0.00 C ATOM 0 H PHE A 83 6.200 3.942 0.438 1.00 0.00 H new ATOM 0 HA PHE A 83 5.431 4.457 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.193 4.470 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.302 5.407 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.546 2.119 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.578 4.914 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.774 0.861 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.943 3.553 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.342 1.683 -2.850 1.00 0.00 H new ATOM 596 N LEU A 84 5.469 1.352 2.321 1.00 0.00 N ATOM 597 CA LEU A 84 5.289 -0.005 2.820 1.00 0.00 C ATOM 598 C LEU A 84 6.076 -0.196 4.119 1.00 0.00 C ATOM 599 O LEU A 84 5.807 -1.138 4.873 1.00 0.00 O ATOM 600 CB LEU A 84 5.753 -1.013 1.759 1.00 0.00 C ATOM 601 CG LEU A 84 4.830 -1.118 0.540 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.407 -2.159 -0.422 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.412 -1.543 0.920 1.00 0.00 C ATOM 0 H LEU A 84 6.050 1.405 1.484 1.00 0.00 H new ATOM 0 HA LEU A 84 4.232 -0.174 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.751 -0.733 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.837 -1.996 2.222 1.00 0.00 H new ATOM 0 HG LEU A 84 4.773 -0.132 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.761 -2.245 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.404 -1.850 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.468 -3.124 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.797 -1.603 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.442 -2.519 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.984 -0.811 1.605 1.00 0.00 H new ATOM 615 N ASN A 85 7.085 0.643 4.368 1.00 0.00 N ATOM 616 CA ASN A 85 7.894 0.597 5.572 1.00 0.00 C ATOM 617 C ASN A 85 7.271 1.487 6.647 1.00 0.00 C ATOM 618 O ASN A 85 6.635 2.489 6.336 1.00 0.00 O ATOM 619 CB ASN A 85 9.321 1.063 5.302 1.00 0.00 C ATOM 620 CG ASN A 85 10.195 -0.108 4.914 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.675 -0.833 5.785 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.341 -0.371 3.629 1.00 0.00 N ATOM 0 H ASN A 85 7.361 1.383 3.723 1.00 0.00 H new ATOM 0 HA ASN A 85 7.927 -0.438 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.323 1.806 4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.726 1.548 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.864 -1.195 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.931 0.250 2.932 1.00 0.00 H new ATOM 629 N PRO A 86 7.517 1.184 7.929 1.00 0.00 N ATOM 630 CA PRO A 86 6.979 1.926 9.064 1.00 0.00 C ATOM 631 C PRO A 86 7.594 3.311 9.255 1.00 0.00 C ATOM 632 O PRO A 86 7.037 4.143 9.973 1.00 0.00 O ATOM 633 CB PRO A 86 7.309 1.061 10.283 1.00 0.00 C ATOM 634 CG PRO A 86 8.531 0.256 9.852 1.00 0.00 C ATOM 635 CD PRO A 86 8.275 0.033 8.372 1.00 0.00 C ATOM 0 HA PRO A 86 5.915 2.106 8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.524 1.673 11.159 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.476 0.410 10.546 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.458 0.802 10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.609 -0.685 10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.212 -0.055 7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.719 -0.890 8.205 1.00 0.00 H new ATOM 643 N ASN A 87 8.749 3.556 8.646 1.00 0.00 N ATOM 644 CA ASN A 87 9.494 4.806 8.740 1.00 0.00 C ATOM 645 C ASN A 87 8.811 5.953 7.990 1.00 0.00 C ATOM 646 O ASN A 87 9.223 7.107 8.124 1.00 0.00 O ATOM 647 CB ASN A 87 10.928 4.570 8.233 1.00 0.00 C ATOM 648 CG ASN A 87 11.525 3.307 8.845 1.00 0.00 C ATOM 649 OD1 ASN A 87 11.857 3.252 10.025 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.539 2.207 8.115 1.00 0.00 N ATOM 0 H ASN A 87 9.208 2.865 8.052 1.00 0.00 H new ATOM 0 HA ASN A 87 9.524 5.115 9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.924 4.484 7.146 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.551 5.429 8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.824 1.321 8.533 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.265 2.243 7.133 1.00 0.00 H new ATOM 657 N ASP A 88 7.783 5.662 7.194 1.00 0.00 N ATOM 658 CA ASP A 88 7.056 6.666 6.431 1.00 0.00 C ATOM 659 C ASP A 88 5.860 7.182 7.221 1.00 0.00 C ATOM 660 O ASP A 88 5.211 6.411 7.936 1.00 0.00 O ATOM 661 CB ASP A 88 6.518 6.045 5.135 1.00 0.00 C ATOM 662 CG ASP A 88 6.629 7.053 4.004 1.00 0.00 C ATOM 663 OD1 ASP A 88 7.774 7.410 3.656 1.00 0.00 O ATOM 664 OD2 ASP A 88 5.573 7.584 3.593 1.00 0.00 O ATOM 0 H ASP A 88 7.431 4.714 7.062 1.00 0.00 H new ATOM 0 HA ASP A 88 7.744 7.484 6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.081 5.145 4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.479 5.745 5.268 1.00 0.00 H new ATOM 669 N PRO A 89 5.513 8.465 7.085 1.00 0.00 N ATOM 670 CA PRO A 89 4.368 9.046 7.760 1.00 0.00 C ATOM 671 C PRO A 89 3.068 8.526 7.134 1.00 0.00 C ATOM 672 O PRO A 89 2.040 8.480 7.815 1.00 0.00 O ATOM 673 CB PRO A 89 4.521 10.552 7.566 1.00 0.00 C ATOM 674 CG PRO A 89 5.367 10.695 6.310 1.00 0.00 C ATOM 675 CD PRO A 89 6.212 9.452 6.288 1.00 0.00 C ATOM 0 HA PRO A 89 4.324 8.785 8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.552 11.037 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.006 11.015 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.745 10.769 5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.983 11.594 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.353 9.097 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.203 9.649 6.697 1.00 0.00 H new ATOM 683 N TYR A 90 3.084 8.131 5.856 1.00 0.00 N ATOM 684 CA TYR A 90 1.908 7.612 5.168 1.00 0.00 C ATOM 685 C TYR A 90 1.666 6.150 5.495 1.00 0.00 C ATOM 686 O TYR A 90 0.610 5.640 5.126 1.00 0.00 O ATOM 687 CB TYR A 90 2.049 7.770 3.655 1.00 0.00 C ATOM 688 CG TYR A 90 1.877 9.205 3.234 1.00 0.00 C ATOM 689 CD1 TYR A 90 2.950 10.102 3.358 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.620 9.654 2.794 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.773 11.450 3.017 1.00 0.00 C ATOM 692 CE2 TYR A 90 0.446 10.999 2.439 1.00 0.00 C ATOM 693 CZ TYR A 90 1.526 11.903 2.537 1.00 0.00 C ATOM 694 OH TYR A 90 1.377 13.192 2.130 1.00 0.00 O ATOM 0 H TYR A 90 3.919 8.165 5.272 1.00 0.00 H new ATOM 0 HA TYR A 90 1.055 8.193 5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.029 7.412 3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.307 7.150 3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.908 9.755 3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.209 8.965 2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.594 12.144 3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.516 11.344 2.090 1.00 0.00 H new ATOM 0 HH TYR A 90 0.456 13.335 1.828 1.00 0.00 H new ATOM 704 N HIS A 91 2.594 5.483 6.187 1.00 0.00 N ATOM 705 CA HIS A 91 2.434 4.082 6.529 1.00 0.00 C ATOM 706 C HIS A 91 1.101 3.857 7.241 1.00 0.00 C ATOM 707 O HIS A 91 0.316 3.052 6.763 1.00 0.00 O ATOM 708 CB HIS A 91 3.633 3.591 7.332 1.00 0.00 C ATOM 709 CG HIS A 91 3.584 2.106 7.587 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.913 1.149 6.660 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.233 1.463 8.746 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.817 -0.046 7.261 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.396 0.087 8.536 1.00 0.00 N ATOM 0 H HIS A 91 3.464 5.900 6.519 1.00 0.00 H new ATOM 0 HA HIS A 91 2.405 3.485 5.618 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.550 3.835 6.796 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.670 4.120 8.285 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.182 1.316 5.690 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.892 1.932 9.657 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.046 -0.989 6.788 1.00 0.00 H new ATOM 721 N ALA A 92 0.786 4.605 8.308 1.00 0.00 N ATOM 722 CA ALA A 92 -0.476 4.443 9.034 1.00 0.00 C ATOM 723 C ALA A 92 -1.698 4.511 8.108 1.00 0.00 C ATOM 724 O ALA A 92 -2.641 3.744 8.297 1.00 0.00 O ATOM 725 CB ALA A 92 -0.586 5.481 10.155 1.00 0.00 C ATOM 0 H ALA A 92 1.394 5.331 8.687 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.468 3.446 9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.529 5.346 10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.242 5.353 10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.549 6.483 9.728 1.00 0.00 H new ATOM 731 N TYR A 93 -1.690 5.427 7.135 1.00 0.00 N ATOM 732 CA TYR A 93 -2.783 5.566 6.184 1.00 0.00 C ATOM 733 C TYR A 93 -2.804 4.345 5.267 1.00 0.00 C ATOM 734 O TYR A 93 -3.869 3.791 5.012 1.00 0.00 O ATOM 735 CB TYR A 93 -2.641 6.878 5.401 1.00 0.00 C ATOM 736 CG TYR A 93 -3.605 7.034 4.234 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.994 7.032 4.448 1.00 0.00 C ATOM 738 CD2 TYR A 93 -3.108 7.144 2.924 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.881 7.175 3.366 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.985 7.248 1.826 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.382 7.273 2.047 1.00 0.00 C ATOM 742 OH TYR A 93 -6.258 7.369 1.007 1.00 0.00 O ATOM 0 H TYR A 93 -0.927 6.088 6.990 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.737 5.612 6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.787 7.712 6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.621 6.950 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.383 6.920 5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.041 7.149 2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.946 7.210 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.593 7.308 0.822 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.761 7.430 0.165 1.00 0.00 H new ATOM 752 N TYR A 94 -1.639 3.895 4.791 1.00 0.00 N ATOM 753 CA TYR A 94 -1.557 2.731 3.924 1.00 0.00 C ATOM 754 C TYR A 94 -2.165 1.516 4.631 1.00 0.00 C ATOM 755 O TYR A 94 -2.888 0.729 4.016 1.00 0.00 O ATOM 756 CB TYR A 94 -0.106 2.452 3.475 1.00 0.00 C ATOM 757 CG TYR A 94 0.025 1.156 2.693 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.221 1.077 1.308 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.296 -0.022 3.399 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.245 -0.169 0.655 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.269 -1.261 2.748 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.011 -1.353 1.382 1.00 0.00 C ATOM 763 OH TYR A 94 -0.041 -2.584 0.804 1.00 0.00 O ATOM 0 H TYR A 94 -0.738 4.327 4.997 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.130 2.935 3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.246 3.280 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.540 2.410 4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.393 1.981 0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.527 0.025 4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.443 -0.218 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.468 -2.161 3.311 1.00 0.00 H new ATOM 0 HH TYR A 94 0.375 -3.238 1.404 1.00 0.00 H new ATOM 773 N ARG A 95 -1.870 1.370 5.925 1.00 0.00 N ATOM 774 CA ARG A 95 -2.363 0.267 6.749 1.00 0.00 C ATOM 775 C ARG A 95 -3.881 0.306 6.801 1.00 0.00 C ATOM 776 O ARG A 95 -4.514 -0.723 6.573 1.00 0.00 O ATOM 777 CB ARG A 95 -1.739 0.301 8.152 1.00 0.00 C ATOM 778 CG ARG A 95 -0.209 0.123 8.167 1.00 0.00 C ATOM 779 CD ARG A 95 0.302 -1.118 7.428 1.00 0.00 C ATOM 780 NE ARG A 95 -0.147 -2.327 8.107 1.00 0.00 N ATOM 781 CZ ARG A 95 0.294 -2.770 9.281 1.00 0.00 C ATOM 782 NH1 ARG A 95 1.390 -2.251 9.835 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.405 -3.717 9.879 1.00 0.00 N ATOM 0 H ARG A 95 -1.275 2.023 6.435 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.062 -0.678 6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.988 1.251 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.191 -0.485 8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.250 1.007 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.127 0.075 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.060 -1.113 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.391 -1.101 7.382 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.863 -2.883 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.899 -1.507 9.358 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.719 -2.598 10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.250 -4.082 9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.100 -4.084 10.781 1.00 0.00 H new ATOM 797 N HIS A 96 -4.456 1.479 7.068 1.00 0.00 N ATOM 798 CA HIS A 96 -5.897 1.668 7.120 1.00 0.00 C ATOM 799 C HIS A 96 -6.515 1.174 5.826 1.00 0.00 C ATOM 800 O HIS A 96 -7.436 0.361 5.869 1.00 0.00 O ATOM 801 CB HIS A 96 -6.201 3.159 7.370 1.00 0.00 C ATOM 802 CG HIS A 96 -7.621 3.580 7.092 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.733 3.273 7.840 1.00 0.00 N ATOM 804 CD2 HIS A 96 -8.027 4.358 6.042 1.00 0.00 C ATOM 805 CE1 HIS A 96 -9.788 3.864 7.257 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.410 4.534 6.151 1.00 0.00 N ATOM 0 H HIS A 96 -3.925 2.330 7.255 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.332 1.093 7.938 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.967 3.392 8.409 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.533 3.758 6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.393 4.764 5.268 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.802 3.810 7.625 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.012 5.063 5.520 1.00 0.00 H new ATOM 814 N LYS A 97 -5.999 1.625 4.681 1.00 0.00 N ATOM 815 CA LYS A 97 -6.527 1.227 3.392 1.00 0.00 C ATOM 816 C LYS A 97 -6.474 -0.271 3.192 1.00 0.00 C ATOM 817 O LYS A 97 -7.420 -0.774 2.610 1.00 0.00 O ATOM 818 CB LYS A 97 -5.732 1.887 2.287 1.00 0.00 C ATOM 819 CG LYS A 97 -5.838 3.424 2.279 1.00 0.00 C ATOM 820 CD LYS A 97 -7.270 3.958 2.152 1.00 0.00 C ATOM 821 CE LYS A 97 -7.890 3.479 0.842 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.033 4.296 0.393 1.00 0.00 N ATOM 0 H LYS A 97 -5.211 2.270 4.630 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.570 1.542 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.684 1.605 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.075 1.503 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.399 3.811 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.243 3.813 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.871 3.616 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.265 5.047 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.125 3.483 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.218 2.446 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.920 3.794 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.026 5.207 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.959 4.463 -0.631 1.00 0.00 H new ATOM 836 N VAL A 98 -5.422 -0.972 3.618 1.00 0.00 N ATOM 837 CA VAL A 98 -5.336 -2.421 3.447 1.00 0.00 C ATOM 838 C VAL A 98 -6.594 -3.057 4.026 1.00 0.00 C ATOM 839 O VAL A 98 -7.393 -3.637 3.296 1.00 0.00 O ATOM 840 CB VAL A 98 -4.058 -2.985 4.103 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.067 -4.528 4.093 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.772 -2.424 3.461 1.00 0.00 C ATOM 0 H VAL A 98 -4.616 -0.557 4.085 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.271 -2.661 2.386 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.057 -2.653 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.156 -4.900 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.933 -4.890 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.119 -4.885 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.901 -2.851 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.750 -2.684 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.755 -1.339 3.568 1.00 0.00 H new ATOM 852 N SER A 99 -6.779 -2.911 5.334 1.00 0.00 N ATOM 853 CA SER A 99 -7.908 -3.448 6.061 1.00 0.00 C ATOM 854 C SER A 99 -9.237 -3.003 5.431 1.00 0.00 C ATOM 855 O SER A 99 -10.173 -3.795 5.372 1.00 0.00 O ATOM 856 CB SER A 99 -7.742 -2.933 7.499 1.00 0.00 C ATOM 857 OG SER A 99 -6.481 -3.299 8.057 1.00 0.00 O ATOM 0 H SER A 99 -6.125 -2.400 5.928 1.00 0.00 H new ATOM 0 HA SER A 99 -7.934 -4.537 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.841 -1.848 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.543 -3.332 8.121 1.00 0.00 H new ATOM 0 HG SER A 99 -6.414 -2.951 8.971 1.00 0.00 H new ATOM 863 N GLU A 100 -9.320 -1.783 4.906 1.00 0.00 N ATOM 864 CA GLU A 100 -10.516 -1.238 4.284 1.00 0.00 C ATOM 865 C GLU A 100 -10.828 -1.855 2.926 1.00 0.00 C ATOM 866 O GLU A 100 -11.974 -2.252 2.699 1.00 0.00 O ATOM 867 CB GLU A 100 -10.348 0.276 4.191 1.00 0.00 C ATOM 868 CG GLU A 100 -11.441 1.114 4.858 1.00 0.00 C ATOM 869 CD GLU A 100 -11.857 0.736 6.298 1.00 0.00 C ATOM 870 OE1 GLU A 100 -12.379 -0.370 6.557 1.00 0.00 O ATOM 871 OE2 GLU A 100 -11.737 1.582 7.212 1.00 0.00 O ATOM 0 H GLU A 100 -8.535 -1.132 4.903 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.377 -1.489 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.390 0.543 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.298 0.552 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.110 2.152 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.330 1.068 4.229 1.00 0.00 H new ATOM 878 N PHE A 101 -9.849 -1.934 2.016 1.00 0.00 N ATOM 879 CA PHE A 101 -10.061 -2.536 0.717 1.00 0.00 C ATOM 880 C PHE A 101 -10.447 -4.002 0.898 1.00 0.00 C ATOM 881 O PHE A 101 -11.211 -4.543 0.103 1.00 0.00 O ATOM 882 CB PHE A 101 -8.796 -2.424 -0.144 1.00 0.00 C ATOM 883 CG PHE A 101 -8.723 -1.181 -1.007 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.359 -1.144 -2.262 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.940 -0.091 -0.600 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.219 -0.017 -3.095 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.784 1.017 -1.442 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.432 1.069 -2.685 1.00 0.00 C ATOM 0 H PHE A 101 -8.903 -1.584 2.167 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.866 -2.007 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.925 -2.446 0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.733 -3.301 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.956 -1.983 -2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.456 -0.106 0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.719 0.011 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.158 1.840 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.326 1.936 -3.320 1.00 0.00 H new ATOM 898 N LYS A 102 -9.924 -4.641 1.947 1.00 0.00 N ATOM 899 CA LYS A 102 -10.210 -6.035 2.269 1.00 0.00 C ATOM 900 C LYS A 102 -11.671 -6.194 2.632 1.00 0.00 C ATOM 901 O LYS A 102 -12.299 -7.173 2.238 1.00 0.00 O ATOM 902 CB LYS A 102 -9.334 -6.471 3.439 1.00 0.00 C ATOM 903 CG LYS A 102 -7.938 -6.788 2.924 1.00 0.00 C ATOM 904 CD LYS A 102 -6.938 -7.211 3.992 1.00 0.00 C ATOM 905 CE LYS A 102 -6.514 -8.636 3.673 1.00 0.00 C ATOM 906 NZ LYS A 102 -5.717 -9.267 4.736 1.00 0.00 N ATOM 0 H LYS A 102 -9.282 -4.196 2.603 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.995 -6.658 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.288 -5.681 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.764 -7.347 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.013 -7.583 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.548 -5.909 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.075 -6.545 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.388 -7.156 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.404 -9.239 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.936 -8.636 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.463 -10.235 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.850 -8.714 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.273 -9.299 5.614 1.00 0.00 H new ATOM 920 N GLU A 103 -12.216 -5.241 3.387 1.00 0.00 N ATOM 921 CA GLU A 103 -13.619 -5.288 3.770 1.00 0.00 C ATOM 922 C GLU A 103 -14.518 -4.980 2.565 1.00 0.00 C ATOM 923 O GLU A 103 -15.734 -5.152 2.638 1.00 0.00 O ATOM 924 CB GLU A 103 -13.917 -4.233 4.833 1.00 0.00 C ATOM 925 CG GLU A 103 -13.068 -4.346 6.102 1.00 0.00 C ATOM 926 CD GLU A 103 -13.907 -4.421 7.375 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.785 -5.303 7.501 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.678 -3.595 8.292 1.00 0.00 O ATOM 0 H GLU A 103 -11.707 -4.432 3.742 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.818 -6.289 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.766 -3.245 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.969 -4.302 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.440 -5.234 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.400 -3.487 6.164 1.00 0.00 H new ATOM 935 N GLY A 104 -13.933 -4.477 1.476 1.00 0.00 N ATOM 936 CA GLY A 104 -14.638 -4.129 0.258 1.00 0.00 C ATOM 937 C GLY A 104 -15.515 -2.898 0.461 1.00 0.00 C ATOM 938 O GLY A 104 -16.576 -2.811 -0.156 1.00 0.00 O ATOM 0 H GLY A 104 -12.930 -4.299 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.920 -3.939 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.254 -4.969 -0.061 1.00 0.00 H new ATOM 942 N LYS A 105 -15.116 -1.976 1.349 1.00 0.00 N ATOM 943 CA LYS A 105 -15.875 -0.755 1.633 1.00 0.00 C ATOM 944 C LYS A 105 -15.164 0.510 1.151 1.00 0.00 C ATOM 945 O LYS A 105 -15.823 1.543 1.013 1.00 0.00 O ATOM 946 CB LYS A 105 -16.205 -0.683 3.137 1.00 0.00 C ATOM 947 CG LYS A 105 -15.052 -0.103 3.974 1.00 0.00 C ATOM 948 CD LYS A 105 -15.371 -0.004 5.464 1.00 0.00 C ATOM 949 CE LYS A 105 -15.135 -1.348 6.158 1.00 0.00 C ATOM 950 NZ LYS A 105 -15.034 -1.221 7.624 1.00 0.00 N ATOM 0 H LYS A 105 -14.255 -2.059 1.890 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.806 -0.804 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.095 -0.071 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.444 -1.683 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.168 -0.726 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.803 0.889 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.748 0.763 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.408 0.304 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.951 -2.028 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.219 -1.796 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.492 -2.023 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.551 -0.332 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.988 -1.219 8.039 1.00 0.00 H new ATOM 964 N ALA A 106 -13.838 0.468 0.998 1.00 0.00 N ATOM 965 CA ALA A 106 -13.020 1.584 0.558 1.00 0.00 C ATOM 966 C ALA A 106 -13.405 2.030 -0.847 1.00 0.00 C ATOM 967 O ALA A 106 -13.766 1.210 -1.693 1.00 0.00 O ATOM 968 CB ALA A 106 -11.553 1.148 0.514 1.00 0.00 C ATOM 0 H ALA A 106 -13.294 -0.374 1.185 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.173 2.406 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.935 1.983 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.237 0.833 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.441 0.317 -0.182 1.00 0.00 H new ATOM 974 N GLN A 107 -13.270 3.330 -1.084 1.00 0.00 N ATOM 975 CA GLN A 107 -13.552 3.964 -2.355 1.00 0.00 C ATOM 976 C GLN A 107 -12.414 3.634 -3.326 1.00 0.00 C ATOM 977 O GLN A 107 -11.261 4.007 -3.088 1.00 0.00 O ATOM 978 CB GLN A 107 -13.745 5.487 -2.196 1.00 0.00 C ATOM 979 CG GLN A 107 -12.694 6.243 -1.357 1.00 0.00 C ATOM 980 CD GLN A 107 -12.971 6.164 0.135 1.00 0.00 C ATOM 981 OE1 GLN A 107 -12.406 5.319 0.827 1.00 0.00 O ATOM 982 NE2 GLN A 107 -13.844 7.005 0.659 1.00 0.00 N ATOM 0 H GLN A 107 -12.951 3.987 -0.372 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.490 3.579 -2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.767 5.931 -3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.724 5.659 -1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.706 5.831 -1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.673 7.289 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.302 7.699 0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.060 6.961 1.655 1.00 0.00 H new