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 Set 1.1: A 93 TYR OH : rot -159:sc= 1.27 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -113:sc= 0.25 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 85:sc= 1.01 USER MOD Single : A 58 SER OG : rot 82:sc= 1.19 USER MOD Single : A 63 ASN : amide:sc= 1.08 K(o=1.1,f=-0.031) USER MOD Single : A 73 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 74 ASN : amide:sc=-0.00692 K(o=-0.0069,f=-0.88) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.3) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.381 K(o=-0.38,f=-4.3!) USER MOD Single : A 85 ASN : amide:sc= -1.01 X(o=-1,f=-0.68) USER MOD Single : A 87 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.0113 K(o=-0.011,f=-2.4!) USER MOD Single : A 94 TYR OH : rot 0:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.018) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -176:sc= 0.496 (180deg=0.463) USER MOD Single : A 107 GLN : amide:sc= -0.0046 X(o=-0.0046,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 48 0.448 12.452 -4.841 1.00 0.00 N ATOM 9 CA GLU A 48 0.802 11.196 -5.504 1.00 0.00 C ATOM 10 C GLU A 48 0.947 10.099 -4.466 1.00 0.00 C ATOM 11 O GLU A 48 0.399 9.021 -4.648 1.00 0.00 O ATOM 12 CB GLU A 48 2.123 11.378 -6.250 1.00 0.00 C ATOM 13 CG GLU A 48 2.744 10.062 -6.758 1.00 0.00 C ATOM 14 CD GLU A 48 3.246 10.131 -8.202 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.388 10.575 -8.450 1.00 0.00 O ATOM 16 OE2 GLU A 48 2.535 9.620 -9.101 1.00 0.00 O ATOM 0 HA GLU A 48 0.020 10.919 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.960 12.042 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.836 11.873 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.575 9.789 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.002 9.267 -6.679 1.00 0.00 H new ATOM 23 N VAL A 49 1.626 10.388 -3.357 1.00 0.00 N ATOM 24 CA VAL A 49 1.834 9.434 -2.276 1.00 0.00 C ATOM 25 C VAL A 49 0.517 8.762 -1.884 1.00 0.00 C ATOM 26 O VAL A 49 0.470 7.542 -1.804 1.00 0.00 O ATOM 27 CB VAL A 49 2.576 10.100 -1.106 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.867 11.358 -0.583 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.824 9.098 0.026 1.00 0.00 C ATOM 0 H VAL A 49 2.050 11.300 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 49 2.482 8.627 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 49 3.538 10.430 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.440 11.782 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.789 12.092 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.869 11.094 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.350 9.594 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.870 8.716 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.428 8.271 -0.346 1.00 0.00 H new ATOM 39 N ARG A 50 -0.574 9.506 -1.672 1.00 0.00 N ATOM 40 CA ARG A 50 -1.826 8.835 -1.311 1.00 0.00 C ATOM 41 C ARG A 50 -2.351 7.996 -2.480 1.00 0.00 C ATOM 42 O ARG A 50 -2.919 6.943 -2.226 1.00 0.00 O ATOM 43 CB ARG A 50 -2.924 9.795 -0.886 1.00 0.00 C ATOM 44 CG ARG A 50 -2.704 10.581 0.408 1.00 0.00 C ATOM 45 CD ARG A 50 -4.076 11.185 0.717 1.00 0.00 C ATOM 46 NE ARG A 50 -4.081 12.241 1.737 1.00 0.00 N ATOM 47 CZ ARG A 50 -3.900 13.546 1.506 1.00 0.00 C ATOM 48 NH1 ARG A 50 -3.246 13.984 0.434 1.00 0.00 N ATOM 49 NH2 ARG A 50 -4.378 14.418 2.382 1.00 0.00 N ATOM 0 H ARG A 50 -0.619 10.523 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.579 8.202 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.078 10.511 -1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.848 9.227 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.363 9.932 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.947 11.355 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.492 11.591 -0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.742 10.386 1.042 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.236 11.955 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.866 13.318 -0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.124 14.986 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.872 14.089 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.252 15.418 2.227 1.00 0.00 H new ATOM 63 N ASN A 51 -2.188 8.446 -3.732 1.00 0.00 N ATOM 64 CA ASN A 51 -2.664 7.720 -4.914 1.00 0.00 C ATOM 65 C ASN A 51 -2.039 6.332 -4.952 1.00 0.00 C ATOM 66 O ASN A 51 -2.767 5.338 -5.020 1.00 0.00 O ATOM 67 CB ASN A 51 -2.342 8.429 -6.249 1.00 0.00 C ATOM 68 CG ASN A 51 -3.017 9.767 -6.476 1.00 0.00 C ATOM 69 OD1 ASN A 51 -3.950 10.132 -5.774 1.00 0.00 O ATOM 70 ND2 ASN A 51 -2.531 10.546 -7.423 1.00 0.00 N ATOM 0 H ASN A 51 -1.721 9.326 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.749 7.671 -4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.263 8.575 -6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.619 7.763 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.934 11.470 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.753 10.224 -7.998 1.00 0.00 H new ATOM 77 N ILE A 52 -0.703 6.271 -4.897 1.00 0.00 N ATOM 78 CA ILE A 52 0.042 5.019 -4.939 1.00 0.00 C ATOM 79 C ILE A 52 -0.256 4.164 -3.717 1.00 0.00 C ATOM 80 O ILE A 52 -0.335 2.945 -3.854 1.00 0.00 O ATOM 81 CB ILE A 52 1.562 5.260 -5.092 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.291 3.944 -5.392 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.219 5.862 -3.853 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.474 4.139 -6.336 1.00 0.00 C ATOM 0 H ILE A 52 -0.110 7.098 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.290 4.474 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 52 1.651 5.971 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.643 3.505 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.590 3.235 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.284 6.001 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.760 6.825 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.082 5.190 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.957 3.179 -6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.121 4.552 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.190 4.826 -5.885 1.00 0.00 H new ATOM 96 N VAL A 53 -0.414 4.784 -2.544 1.00 0.00 N ATOM 97 CA VAL A 53 -0.691 4.106 -1.301 1.00 0.00 C ATOM 98 C VAL A 53 -2.015 3.377 -1.480 1.00 0.00 C ATOM 99 O VAL A 53 -2.028 2.146 -1.422 1.00 0.00 O ATOM 100 CB VAL A 53 -0.628 5.155 -0.164 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.339 4.809 1.132 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.823 5.444 0.243 1.00 0.00 C ATOM 0 H VAL A 53 -0.349 5.797 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 53 0.036 3.343 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.143 6.001 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.218 5.626 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.400 4.654 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.911 3.898 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.836 6.184 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.293 4.524 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.372 5.829 -0.616 1.00 0.00 H new ATOM 112 N ASP A 54 -3.099 4.103 -1.753 1.00 0.00 N ATOM 113 CA ASP A 54 -4.450 3.575 -1.943 1.00 0.00 C ATOM 114 C ASP A 54 -4.446 2.408 -2.924 1.00 0.00 C ATOM 115 O ASP A 54 -4.907 1.311 -2.607 1.00 0.00 O ATOM 116 CB ASP A 54 -5.397 4.680 -2.466 1.00 0.00 C ATOM 117 CG ASP A 54 -6.247 5.325 -1.374 1.00 0.00 C ATOM 118 OD1 ASP A 54 -5.684 5.838 -0.380 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.492 5.261 -1.488 1.00 0.00 O ATOM 0 H ASP A 54 -3.058 5.117 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.807 3.223 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.804 5.452 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.055 4.254 -3.223 1.00 0.00 H new ATOM 124 N LYS A 55 -3.896 2.632 -4.118 1.00 0.00 N ATOM 125 CA LYS A 55 -3.839 1.635 -5.175 1.00 0.00 C ATOM 126 C LYS A 55 -3.050 0.415 -4.749 1.00 0.00 C ATOM 127 O LYS A 55 -3.518 -0.706 -4.963 1.00 0.00 O ATOM 128 CB LYS A 55 -3.294 2.291 -6.443 1.00 0.00 C ATOM 129 CG LYS A 55 -4.385 3.197 -7.035 1.00 0.00 C ATOM 130 CD LYS A 55 -3.877 4.080 -8.189 1.00 0.00 C ATOM 131 CE LYS A 55 -3.226 3.274 -9.321 1.00 0.00 C ATOM 132 NZ LYS A 55 -2.889 4.108 -10.494 1.00 0.00 N ATOM 0 H LYS A 55 -3.474 3.524 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.842 1.265 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.402 2.874 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.001 1.530 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.207 2.578 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.786 3.835 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.710 4.655 -8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.154 4.797 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.320 2.797 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.902 2.477 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.453 3.514 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.755 4.544 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.222 4.854 -10.210 1.00 0.00 H new ATOM 146 N THR A 56 -1.867 0.605 -4.168 1.00 0.00 N ATOM 147 CA THR A 56 -1.083 -0.531 -3.717 1.00 0.00 C ATOM 148 C THR A 56 -1.863 -1.301 -2.644 1.00 0.00 C ATOM 149 O THR A 56 -1.840 -2.533 -2.666 1.00 0.00 O ATOM 150 CB THR A 56 0.298 -0.051 -3.257 1.00 0.00 C ATOM 151 OG1 THR A 56 0.907 0.550 -4.380 1.00 0.00 O ATOM 152 CG2 THR A 56 1.190 -1.201 -2.771 1.00 0.00 C ATOM 0 H THR A 56 -1.441 1.517 -4.003 1.00 0.00 H new ATOM 0 HA THR A 56 -0.909 -1.233 -4.532 1.00 0.00 H new ATOM 0 HB THR A 56 0.178 0.635 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.620 1.485 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.156 -0.805 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.712 -1.701 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.337 -1.915 -3.581 1.00 0.00 H new ATOM 160 N ALA A 57 -2.576 -0.619 -1.735 1.00 0.00 N ATOM 161 CA ALA A 57 -3.332 -1.316 -0.705 1.00 0.00 C ATOM 162 C ALA A 57 -4.407 -2.162 -1.374 1.00 0.00 C ATOM 163 O ALA A 57 -4.481 -3.333 -1.050 1.00 0.00 O ATOM 164 CB ALA A 57 -3.953 -0.400 0.342 1.00 0.00 C ATOM 0 H ALA A 57 -2.640 0.398 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.625 -1.940 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.498 -0.999 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.167 0.161 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.639 0.294 -0.143 1.00 0.00 H new ATOM 170 N SER A 58 -5.174 -1.637 -2.327 1.00 0.00 N ATOM 171 CA SER A 58 -6.222 -2.374 -3.034 1.00 0.00 C ATOM 172 C SER A 58 -5.721 -3.774 -3.444 1.00 0.00 C ATOM 173 O SER A 58 -6.315 -4.795 -3.106 1.00 0.00 O ATOM 174 CB SER A 58 -6.617 -1.520 -4.249 1.00 0.00 C ATOM 175 OG SER A 58 -7.861 -1.814 -4.857 1.00 0.00 O ATOM 0 H SER A 58 -5.084 -0.669 -2.636 1.00 0.00 H new ATOM 0 HA SER A 58 -7.091 -2.542 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.628 -0.475 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.837 -1.621 -5.004 1.00 0.00 H new ATOM 0 HG SER A 58 -8.581 -1.373 -4.359 1.00 0.00 H new ATOM 181 N PHE A 59 -4.567 -3.845 -4.112 1.00 0.00 N ATOM 182 CA PHE A 59 -4.003 -5.115 -4.558 1.00 0.00 C ATOM 183 C PHE A 59 -3.511 -5.982 -3.399 1.00 0.00 C ATOM 184 O PHE A 59 -3.739 -7.191 -3.384 1.00 0.00 O ATOM 185 CB PHE A 59 -2.877 -4.825 -5.542 1.00 0.00 C ATOM 186 CG PHE A 59 -2.595 -5.946 -6.520 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.503 -6.191 -7.572 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.419 -6.715 -6.415 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.235 -7.195 -8.517 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.157 -7.722 -7.361 1.00 0.00 C ATOM 191 CZ PHE A 59 -2.064 -7.963 -8.406 1.00 0.00 C ATOM 0 H PHE A 59 -4.004 -3.030 -4.356 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.790 -5.691 -5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.125 -3.924 -6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.967 -4.611 -4.981 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.407 -5.605 -7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.721 -6.532 -5.611 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.927 -7.376 -9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.256 -8.312 -7.284 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.860 -8.741 -9.127 1.00 0.00 H new ATOM 201 N VAL A 60 -2.802 -5.398 -2.436 1.00 0.00 N ATOM 202 CA VAL A 60 -2.292 -6.129 -1.278 1.00 0.00 C ATOM 203 C VAL A 60 -3.449 -6.654 -0.415 1.00 0.00 C ATOM 204 O VAL A 60 -3.336 -7.696 0.225 1.00 0.00 O ATOM 205 CB VAL A 60 -1.251 -5.259 -0.567 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.752 -5.921 0.710 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.034 -5.005 -1.471 1.00 0.00 C ATOM 0 H VAL A 60 -2.565 -4.406 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.764 -7.037 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.745 -4.318 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.015 -5.277 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.590 -6.081 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.293 -6.880 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.689 -4.385 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.428 -5.956 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.355 -4.493 -2.378 1.00 0.00 H new ATOM 217 N ALA A 61 -4.591 -5.988 -0.450 1.00 0.00 N ATOM 218 CA ALA A 61 -5.776 -6.338 0.287 1.00 0.00 C ATOM 219 C ALA A 61 -6.487 -7.476 -0.435 1.00 0.00 C ATOM 220 O ALA A 61 -6.875 -8.444 0.211 1.00 0.00 O ATOM 221 CB ALA A 61 -6.675 -5.097 0.373 1.00 0.00 C ATOM 0 H ALA A 61 -4.714 -5.152 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.528 -6.669 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.580 -5.341 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.141 -4.296 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.943 -4.772 -0.632 1.00 0.00 H new ATOM 227 N ARG A 62 -6.605 -7.399 -1.768 1.00 0.00 N ATOM 228 CA ARG A 62 -7.308 -8.430 -2.531 1.00 0.00 C ATOM 229 C ARG A 62 -6.562 -9.747 -2.646 1.00 0.00 C ATOM 230 O ARG A 62 -7.183 -10.805 -2.679 1.00 0.00 O ATOM 231 CB ARG A 62 -7.756 -7.854 -3.876 1.00 0.00 C ATOM 232 CG ARG A 62 -6.763 -7.841 -5.034 1.00 0.00 C ATOM 233 CD ARG A 62 -6.818 -9.114 -5.887 1.00 0.00 C ATOM 234 NE ARG A 62 -6.436 -8.842 -7.275 1.00 0.00 N ATOM 235 CZ ARG A 62 -6.071 -9.740 -8.196 1.00 0.00 C ATOM 236 NH1 ARG A 62 -5.910 -11.022 -7.895 1.00 0.00 N ATOM 237 NH2 ARG A 62 -5.865 -9.323 -9.438 1.00 0.00 N ATOM 0 H ARG A 62 -6.225 -6.639 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.196 -8.709 -1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.634 -8.414 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.078 -6.827 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.964 -6.977 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.755 -7.719 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.151 -9.866 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.825 -9.529 -5.860 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.450 -7.866 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.065 -11.345 -6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.631 -11.685 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.986 -8.337 -9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.586 -9.988 -10.159 1.00 0.00 H new ATOM 251 N ASN A 63 -5.236 -9.680 -2.740 1.00 0.00 N ATOM 252 CA ASN A 63 -4.411 -10.883 -2.863 1.00 0.00 C ATOM 253 C ASN A 63 -4.031 -11.443 -1.497 1.00 0.00 C ATOM 254 O ASN A 63 -4.111 -12.652 -1.284 1.00 0.00 O ATOM 255 CB ASN A 63 -3.118 -10.606 -3.634 1.00 0.00 C ATOM 256 CG ASN A 63 -3.336 -10.333 -5.111 1.00 0.00 C ATOM 257 OD1 ASN A 63 -3.311 -11.239 -5.933 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.580 -9.087 -5.473 1.00 0.00 N ATOM 0 H ASN A 63 -4.709 -8.807 -2.734 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.016 -11.608 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.614 -9.750 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.451 -11.461 -3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.752 -8.865 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.596 -8.346 -4.772 1.00 0.00 H new ATOM 265 N GLY A 64 -3.618 -10.579 -0.568 1.00 0.00 N ATOM 266 CA GLY A 64 -3.216 -10.961 0.775 1.00 0.00 C ATOM 267 C GLY A 64 -1.934 -10.241 1.205 1.00 0.00 C ATOM 268 O GLY A 64 -1.216 -9.676 0.370 1.00 0.00 O ATOM 0 H GLY A 64 -3.555 -9.575 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.018 -10.728 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.060 -12.039 0.816 1.00 0.00 H new ATOM 272 N PRO A 65 -1.605 -10.287 2.508 1.00 0.00 N ATOM 273 CA PRO A 65 -0.429 -9.633 3.079 1.00 0.00 C ATOM 274 C PRO A 65 0.903 -10.132 2.513 1.00 0.00 C ATOM 275 O PRO A 65 1.914 -9.445 2.652 1.00 0.00 O ATOM 276 CB PRO A 65 -0.534 -9.832 4.595 1.00 0.00 C ATOM 277 CG PRO A 65 -1.429 -11.062 4.734 1.00 0.00 C ATOM 278 CD PRO A 65 -2.381 -10.936 3.553 1.00 0.00 C ATOM 0 HA PRO A 65 -0.426 -8.576 2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.444 -9.995 5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.970 -8.961 5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.853 -11.986 4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.964 -11.065 5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.739 -11.913 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.259 -10.346 3.816 1.00 0.00 H new ATOM 286 N GLU A 66 0.928 -11.282 1.835 1.00 0.00 N ATOM 287 CA GLU A 66 2.149 -11.814 1.247 1.00 0.00 C ATOM 288 C GLU A 66 2.747 -10.845 0.225 1.00 0.00 C ATOM 289 O GLU A 66 3.973 -10.736 0.116 1.00 0.00 O ATOM 290 CB GLU A 66 1.872 -13.165 0.587 1.00 0.00 C ATOM 291 CG GLU A 66 0.761 -13.179 -0.483 1.00 0.00 C ATOM 292 CD GLU A 66 1.268 -13.856 -1.755 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.352 -15.103 -1.799 1.00 0.00 O ATOM 294 OE2 GLU A 66 1.700 -13.150 -2.694 1.00 0.00 O ATOM 0 H GLU A 66 0.105 -11.864 1.681 1.00 0.00 H new ATOM 0 HA GLU A 66 2.875 -11.947 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.795 -13.519 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.608 -13.880 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.114 -13.708 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.446 -12.159 -0.705 1.00 0.00 H new ATOM 301 N PHE A 67 1.883 -10.139 -0.510 1.00 0.00 N ATOM 302 CA PHE A 67 2.306 -9.178 -1.509 1.00 0.00 C ATOM 303 C PHE A 67 2.956 -7.991 -0.835 1.00 0.00 C ATOM 304 O PHE A 67 3.854 -7.392 -1.411 1.00 0.00 O ATOM 305 CB PHE A 67 1.131 -8.710 -2.365 1.00 0.00 C ATOM 306 CG PHE A 67 0.994 -9.478 -3.652 1.00 0.00 C ATOM 307 CD1 PHE A 67 1.748 -9.091 -4.775 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.121 -10.571 -3.728 1.00 0.00 C ATOM 309 CE1 PHE A 67 1.585 -9.767 -5.994 1.00 0.00 C ATOM 310 CE2 PHE A 67 -0.061 -11.228 -4.959 1.00 0.00 C ATOM 311 CZ PHE A 67 0.659 -10.817 -6.094 1.00 0.00 C ATOM 0 H PHE A 67 0.870 -10.225 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 67 3.026 -9.667 -2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.210 -8.808 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.254 -7.651 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.451 -8.275 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.408 -10.907 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.171 -9.480 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.756 -12.051 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.500 -11.309 -7.042 1.00 0.00 H new ATOM 321 N GLU A 68 2.508 -7.638 0.367 1.00 0.00 N ATOM 322 CA GLU A 68 3.057 -6.518 1.096 1.00 0.00 C ATOM 323 C GLU A 68 4.539 -6.760 1.342 1.00 0.00 C ATOM 324 O GLU A 68 5.336 -5.844 1.182 1.00 0.00 O ATOM 325 CB GLU A 68 2.295 -6.347 2.414 1.00 0.00 C ATOM 326 CG GLU A 68 2.451 -4.949 2.997 1.00 0.00 C ATOM 327 CD GLU A 68 1.406 -4.706 4.079 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.212 -4.602 3.725 1.00 0.00 O ATOM 329 OE2 GLU A 68 1.779 -4.541 5.272 1.00 0.00 O ATOM 0 H GLU A 68 1.756 -8.124 0.855 1.00 0.00 H new ATOM 0 HA GLU A 68 2.949 -5.600 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.237 -6.553 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.654 -7.081 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.451 -4.832 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.346 -4.205 2.207 1.00 0.00 H new ATOM 336 N ALA A 69 4.908 -7.984 1.732 1.00 0.00 N ATOM 337 CA ALA A 69 6.296 -8.323 1.998 1.00 0.00 C ATOM 338 C ALA A 69 7.081 -8.417 0.689 1.00 0.00 C ATOM 339 O ALA A 69 8.191 -7.897 0.611 1.00 0.00 O ATOM 340 CB ALA A 69 6.378 -9.649 2.756 1.00 0.00 C ATOM 0 H ALA A 69 4.255 -8.756 1.869 1.00 0.00 H new ATOM 0 HA ALA A 69 6.735 -7.537 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.422 -9.893 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.844 -9.561 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.926 -10.439 2.157 1.00 0.00 H new ATOM 346 N ARG A 70 6.526 -9.095 -0.326 1.00 0.00 N ATOM 347 CA ARG A 70 7.167 -9.258 -1.627 1.00 0.00 C ATOM 348 C ARG A 70 7.485 -7.900 -2.232 1.00 0.00 C ATOM 349 O ARG A 70 8.652 -7.608 -2.475 1.00 0.00 O ATOM 350 CB ARG A 70 6.285 -10.094 -2.559 1.00 0.00 C ATOM 351 CG ARG A 70 6.553 -11.588 -2.349 1.00 0.00 C ATOM 352 CD ARG A 70 5.439 -12.410 -2.986 1.00 0.00 C ATOM 353 NE ARG A 70 5.890 -13.774 -3.317 1.00 0.00 N ATOM 354 CZ ARG A 70 5.105 -14.838 -3.523 1.00 0.00 C ATOM 355 NH1 ARG A 70 3.788 -14.750 -3.443 1.00 0.00 N ATOM 356 NH2 ARG A 70 5.638 -16.018 -3.812 1.00 0.00 N ATOM 0 H ARG A 70 5.614 -9.546 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 70 8.107 -9.793 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.234 -9.876 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.483 -9.825 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.513 -11.859 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.616 -11.809 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.590 -12.463 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.091 -11.912 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 70 6.896 -13.921 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.349 -13.857 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.211 -15.575 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.651 -16.118 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.035 -16.826 -3.968 1.00 0.00 H new ATOM 370 N ILE A 71 6.465 -7.074 -2.459 1.00 0.00 N ATOM 371 CA ILE A 71 6.612 -5.750 -3.049 1.00 0.00 C ATOM 372 C ILE A 71 7.607 -4.925 -2.229 1.00 0.00 C ATOM 373 O ILE A 71 8.518 -4.333 -2.811 1.00 0.00 O ATOM 374 CB ILE A 71 5.238 -5.051 -3.164 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.246 -5.820 -4.069 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.404 -3.628 -3.723 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.799 -5.390 -3.801 1.00 0.00 C ATOM 0 H ILE A 71 5.499 -7.312 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 71 7.008 -5.846 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 71 4.827 -5.023 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.493 -5.642 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.347 -6.891 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.427 -3.150 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.042 -3.047 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.861 -3.676 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.127 -5.948 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.546 -5.592 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.694 -4.323 -4.000 1.00 0.00 H new ATOM 389 N ARG A 72 7.452 -4.892 -0.898 1.00 0.00 N ATOM 390 CA ARG A 72 8.340 -4.123 -0.037 1.00 0.00 C ATOM 391 C ARG A 72 9.789 -4.513 -0.246 1.00 0.00 C ATOM 392 O ARG A 72 10.622 -3.626 -0.353 1.00 0.00 O ATOM 393 CB ARG A 72 7.927 -4.276 1.429 1.00 0.00 C ATOM 394 CG ARG A 72 8.655 -3.290 2.341 1.00 0.00 C ATOM 395 CD ARG A 72 7.966 -3.253 3.703 1.00 0.00 C ATOM 396 NE ARG A 72 8.464 -4.274 4.626 1.00 0.00 N ATOM 397 CZ ARG A 72 8.099 -4.345 5.908 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.189 -3.509 6.409 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.644 -5.273 6.682 1.00 0.00 N ATOM 0 H ARG A 72 6.716 -5.393 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 72 8.249 -3.071 -0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.851 -4.125 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.135 -5.294 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.697 -3.587 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.654 -2.296 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.108 -2.268 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.893 -3.389 3.565 1.00 0.00 H new ATOM 0 HE ARG A 72 9.124 -4.967 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.761 -2.803 5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.921 -3.576 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.332 -5.920 6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.376 -5.340 7.664 1.00 0.00 H new ATOM 413 N GLN A 73 10.100 -5.808 -0.275 1.00 0.00 N ATOM 414 CA GLN A 73 11.464 -6.268 -0.463 1.00 0.00 C ATOM 415 C GLN A 73 11.954 -5.996 -1.882 1.00 0.00 C ATOM 416 O GLN A 73 13.107 -5.604 -2.059 1.00 0.00 O ATOM 417 CB GLN A 73 11.544 -7.770 -0.154 1.00 0.00 C ATOM 418 CG GLN A 73 12.982 -8.298 -0.031 1.00 0.00 C ATOM 419 CD GLN A 73 13.775 -7.591 1.068 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.590 -7.846 2.256 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.718 -6.731 0.714 1.00 0.00 N ATOM 0 H GLN A 73 9.416 -6.558 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 73 12.110 -5.717 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.012 -7.970 0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.029 -8.322 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.956 -9.368 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.495 -8.170 -0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.871 -6.520 -0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.291 -6.280 1.427 1.00 0.00 H new ATOM 430 N ASN A 74 11.097 -6.189 -2.883 1.00 0.00 N ATOM 431 CA ASN A 74 11.454 -5.996 -4.282 1.00 0.00 C ATOM 432 C ASN A 74 11.849 -4.557 -4.599 1.00 0.00 C ATOM 433 O ASN A 74 12.805 -4.348 -5.343 1.00 0.00 O ATOM 434 CB ASN A 74 10.318 -6.442 -5.219 1.00 0.00 C ATOM 435 CG ASN A 74 10.083 -7.950 -5.192 1.00 0.00 C ATOM 436 OD1 ASN A 74 10.994 -8.730 -4.923 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.862 -8.408 -5.434 1.00 0.00 N ATOM 0 H ASN A 74 10.131 -6.485 -2.743 1.00 0.00 H new ATOM 0 HA ASN A 74 12.328 -6.624 -4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.398 -5.931 -4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.552 -6.134 -6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.677 -9.410 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.108 -7.758 -5.657 1.00 0.00 H new ATOM 444 N GLU A 75 11.174 -3.568 -4.011 1.00 0.00 N ATOM 445 CA GLU A 75 11.435 -2.145 -4.243 1.00 0.00 C ATOM 446 C GLU A 75 11.902 -1.446 -2.956 1.00 0.00 C ATOM 447 O GLU A 75 11.681 -0.250 -2.761 1.00 0.00 O ATOM 448 CB GLU A 75 10.175 -1.502 -4.840 1.00 0.00 C ATOM 449 CG GLU A 75 9.789 -2.021 -6.234 1.00 0.00 C ATOM 450 CD GLU A 75 10.643 -1.408 -7.343 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.326 -0.283 -7.795 1.00 0.00 O ATOM 452 OE2 GLU A 75 11.562 -2.084 -7.853 1.00 0.00 O ATOM 0 H GLU A 75 10.417 -3.736 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 75 12.252 -2.030 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.340 -1.671 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.326 -0.424 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.894 -3.106 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.739 -1.798 -6.423 1.00 0.00 H new ATOM 459 N ILE A 76 12.590 -2.171 -2.072 1.00 0.00 N ATOM 460 CA ILE A 76 13.111 -1.680 -0.790 1.00 0.00 C ATOM 461 C ILE A 76 14.106 -0.513 -0.932 1.00 0.00 C ATOM 462 O ILE A 76 14.461 0.154 0.043 1.00 0.00 O ATOM 463 CB ILE A 76 13.749 -2.885 -0.057 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.014 -2.656 1.445 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.016 -3.366 -0.785 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.745 -2.287 2.221 1.00 0.00 C ATOM 0 H ILE A 76 12.809 -3.154 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 76 12.286 -1.263 -0.213 1.00 0.00 H new ATOM 0 HB ILE A 76 12.999 -3.675 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.448 -3.559 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.751 -1.861 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.444 -4.213 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.759 -3.671 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.744 -2.555 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.992 -2.138 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.323 -1.368 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.016 -3.092 2.130 1.00 0.00 H new ATOM 478 N ASN A 77 14.591 -0.284 -2.150 1.00 0.00 N ATOM 479 CA ASN A 77 15.550 0.750 -2.503 1.00 0.00 C ATOM 480 C ASN A 77 14.899 1.910 -3.246 1.00 0.00 C ATOM 481 O ASN A 77 15.632 2.726 -3.798 1.00 0.00 O ATOM 482 CB ASN A 77 16.662 0.114 -3.354 1.00 0.00 C ATOM 483 CG ASN A 77 17.547 -0.802 -2.535 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.578 -2.012 -2.754 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.277 -0.261 -1.581 1.00 0.00 N ATOM 0 H ASN A 77 14.309 -0.844 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 77 15.968 1.167 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.215 -0.450 -4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.270 0.900 -3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.883 -0.848 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.236 0.745 -1.416 1.00 0.00 H new ATOM 492 N ASN A 78 13.561 1.996 -3.308 1.00 0.00 N ATOM 493 CA ASN A 78 12.909 3.086 -4.027 1.00 0.00 C ATOM 494 C ASN A 78 11.807 3.750 -3.202 1.00 0.00 C ATOM 495 O ASN A 78 10.947 3.066 -2.637 1.00 0.00 O ATOM 496 CB ASN A 78 12.384 2.575 -5.384 1.00 0.00 C ATOM 497 CG ASN A 78 12.857 3.448 -6.539 1.00 0.00 C ATOM 498 OD1 ASN A 78 13.928 4.037 -6.528 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.057 3.615 -7.571 1.00 0.00 N ATOM 0 H ASN A 78 12.922 1.330 -2.873 1.00 0.00 H new ATOM 0 HA ASN A 78 13.651 3.863 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.721 1.550 -5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.294 2.553 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.336 4.225 -8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.158 3.134 -7.603 1.00 0.00 H new ATOM 506 N PRO A 79 11.741 5.093 -3.203 1.00 0.00 N ATOM 507 CA PRO A 79 10.752 5.847 -2.446 1.00 0.00 C ATOM 508 C PRO A 79 9.318 5.578 -2.887 1.00 0.00 C ATOM 509 O PRO A 79 8.398 5.703 -2.079 1.00 0.00 O ATOM 510 CB PRO A 79 11.144 7.316 -2.584 1.00 0.00 C ATOM 511 CG PRO A 79 12.003 7.352 -3.843 1.00 0.00 C ATOM 512 CD PRO A 79 12.678 5.999 -3.842 1.00 0.00 C ATOM 0 HA PRO A 79 10.758 5.536 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.267 7.956 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.698 7.665 -1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.399 7.500 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.729 8.164 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.906 5.674 -4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.622 6.033 -3.299 1.00 0.00 H new ATOM 520 N LYS A 80 9.098 5.150 -4.134 1.00 0.00 N ATOM 521 CA LYS A 80 7.762 4.839 -4.643 1.00 0.00 C ATOM 522 C LYS A 80 7.117 3.658 -3.912 1.00 0.00 C ATOM 523 O LYS A 80 5.961 3.356 -4.191 1.00 0.00 O ATOM 524 CB LYS A 80 7.829 4.570 -6.157 1.00 0.00 C ATOM 525 CG LYS A 80 7.927 5.853 -6.990 1.00 0.00 C ATOM 526 CD LYS A 80 6.617 6.647 -6.981 1.00 0.00 C ATOM 527 CE LYS A 80 6.712 7.886 -7.879 1.00 0.00 C ATOM 528 NZ LYS A 80 6.492 7.560 -9.303 1.00 0.00 N ATOM 0 H LYS A 80 9.842 5.010 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 80 7.129 5.706 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.691 3.938 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.943 4.013 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.731 6.477 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.189 5.599 -8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.801 6.010 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.380 6.951 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.975 8.623 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.694 8.345 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.565 8.427 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.210 6.877 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.545 7.146 -9.422 1.00 0.00 H new ATOM 542 N PHE A 81 7.827 3.006 -2.992 1.00 0.00 N ATOM 543 CA PHE A 81 7.369 1.868 -2.214 1.00 0.00 C ATOM 544 C PHE A 81 7.840 1.960 -0.761 1.00 0.00 C ATOM 545 O PHE A 81 7.599 1.038 0.020 1.00 0.00 O ATOM 546 CB PHE A 81 7.898 0.588 -2.872 1.00 0.00 C ATOM 547 CG PHE A 81 7.533 0.409 -4.342 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.172 1.164 -5.345 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.520 -0.488 -4.710 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.712 1.117 -6.671 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.072 -0.568 -6.036 1.00 0.00 C ATOM 552 CZ PHE A 81 6.663 0.249 -7.016 1.00 0.00 C ATOM 0 H PHE A 81 8.784 3.275 -2.762 1.00 0.00 H new ATOM 0 HA PHE A 81 6.279 1.858 -2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.984 0.575 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.521 -0.269 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.021 1.783 -5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.078 -1.127 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.164 1.747 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.279 -1.252 -6.303 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.310 0.209 -8.036 1.00 0.00 H new ATOM 562 N ASN A 82 8.523 3.042 -0.364 1.00 0.00 N ATOM 563 CA ASN A 82 9.012 3.199 1.005 1.00 0.00 C ATOM 564 C ASN A 82 7.874 3.295 2.024 1.00 0.00 C ATOM 565 O ASN A 82 8.101 3.013 3.200 1.00 0.00 O ATOM 566 CB ASN A 82 9.990 4.378 1.131 1.00 0.00 C ATOM 567 CG ASN A 82 9.404 5.778 0.971 1.00 0.00 C ATOM 568 OD1 ASN A 82 8.201 5.981 0.846 1.00 0.00 O ATOM 569 ND2 ASN A 82 10.270 6.775 0.930 1.00 0.00 N ATOM 0 H ASN A 82 8.749 3.824 -0.979 1.00 0.00 H new ATOM 0 HA ASN A 82 9.567 2.291 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.468 4.320 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.774 4.250 0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.941 7.731 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.267 6.589 1.036 1.00 0.00 H new ATOM 576 N PHE A 83 6.652 3.608 1.574 1.00 0.00 N ATOM 577 CA PHE A 83 5.467 3.733 2.417 1.00 0.00 C ATOM 578 C PHE A 83 5.075 2.386 3.047 1.00 0.00 C ATOM 579 O PHE A 83 4.325 2.344 4.024 1.00 0.00 O ATOM 580 CB PHE A 83 4.323 4.385 1.618 1.00 0.00 C ATOM 581 CG PHE A 83 3.803 3.590 0.430 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.989 2.459 0.656 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.110 3.960 -0.899 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.494 1.714 -0.425 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.642 3.186 -1.958 1.00 0.00 C ATOM 586 CZ PHE A 83 2.789 2.105 -1.735 1.00 0.00 C ATOM 0 H PHE A 83 6.461 3.785 0.588 1.00 0.00 H new ATOM 0 HA PHE A 83 5.694 4.391 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.491 4.571 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.664 5.356 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.746 2.166 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.705 4.840 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.886 0.840 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.944 3.426 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.358 1.572 -2.570 1.00 0.00 H new ATOM 596 N LEU A 84 5.566 1.268 2.496 1.00 0.00 N ATOM 597 CA LEU A 84 5.291 -0.075 3.000 1.00 0.00 C ATOM 598 C LEU A 84 6.037 -0.349 4.312 1.00 0.00 C ATOM 599 O LEU A 84 5.733 -1.328 5.000 1.00 0.00 O ATOM 600 CB LEU A 84 5.691 -1.102 1.934 1.00 0.00 C ATOM 601 CG LEU A 84 4.779 -1.133 0.702 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.340 -2.167 -0.272 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.345 -1.528 1.052 1.00 0.00 C ATOM 0 H LEU A 84 6.173 1.276 1.677 1.00 0.00 H new ATOM 0 HA LEU A 84 4.225 -0.156 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.710 -0.891 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.699 -2.093 2.388 1.00 0.00 H new ATOM 0 HG LEU A 84 4.753 -0.132 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.709 -2.210 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.353 -1.884 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.359 -3.146 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.738 -1.536 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.340 -2.522 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.932 -0.809 1.759 1.00 0.00 H new ATOM 615 N ASN A 85 7.034 0.469 4.648 1.00 0.00 N ATOM 616 CA ASN A 85 7.827 0.370 5.873 1.00 0.00 C ATOM 617 C ASN A 85 7.300 1.398 6.875 1.00 0.00 C ATOM 618 O ASN A 85 6.762 2.428 6.478 1.00 0.00 O ATOM 619 CB ASN A 85 9.309 0.624 5.587 1.00 0.00 C ATOM 620 CG ASN A 85 9.963 -0.595 4.963 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.136 -1.611 5.633 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.270 -0.550 3.679 1.00 0.00 N ATOM 0 H ASN A 85 7.322 1.246 4.054 1.00 0.00 H new ATOM 0 HA ASN A 85 7.737 -0.636 6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.412 1.478 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.822 0.881 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.661 -1.372 3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.116 0.307 3.147 1.00 0.00 H new ATOM 629 N PRO A 86 7.504 1.171 8.181 1.00 0.00 N ATOM 630 CA PRO A 86 7.035 2.059 9.242 1.00 0.00 C ATOM 631 C PRO A 86 7.730 3.419 9.281 1.00 0.00 C ATOM 632 O PRO A 86 7.253 4.317 9.967 1.00 0.00 O ATOM 633 CB PRO A 86 7.280 1.287 10.540 1.00 0.00 C ATOM 634 CG PRO A 86 8.459 0.394 10.175 1.00 0.00 C ATOM 635 CD PRO A 86 8.143 0.000 8.745 1.00 0.00 C ATOM 0 HA PRO A 86 5.987 2.308 9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.517 1.953 11.370 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.407 0.706 10.837 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.408 0.925 10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.528 -0.475 10.829 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.047 -0.262 8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.485 -0.868 8.708 1.00 0.00 H new ATOM 643 N ASN A 87 8.845 3.590 8.572 1.00 0.00 N ATOM 644 CA ASN A 87 9.601 4.841 8.537 1.00 0.00 C ATOM 645 C ASN A 87 8.868 5.952 7.777 1.00 0.00 C ATOM 646 O ASN A 87 9.371 7.074 7.694 1.00 0.00 O ATOM 647 CB ASN A 87 10.979 4.600 7.892 1.00 0.00 C ATOM 648 CG ASN A 87 11.832 3.549 8.592 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.558 2.792 7.960 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.753 3.422 9.904 1.00 0.00 N ATOM 0 H ASN A 87 9.254 2.853 7.998 1.00 0.00 H new ATOM 0 HA ASN A 87 9.718 5.174 9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.832 4.298 6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.527 5.542 7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.293 2.699 10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.152 4.047 10.442 1.00 0.00 H new ATOM 657 N ASP A 88 7.706 5.669 7.189 1.00 0.00 N ATOM 658 CA ASP A 88 6.944 6.648 6.430 1.00 0.00 C ATOM 659 C ASP A 88 5.741 7.170 7.201 1.00 0.00 C ATOM 660 O ASP A 88 5.038 6.397 7.856 1.00 0.00 O ATOM 661 CB ASP A 88 6.437 6.000 5.141 1.00 0.00 C ATOM 662 CG ASP A 88 6.551 6.993 3.999 1.00 0.00 C ATOM 663 OD1 ASP A 88 7.699 7.306 3.633 1.00 0.00 O ATOM 664 OD2 ASP A 88 5.501 7.479 3.516 1.00 0.00 O ATOM 0 H ASP A 88 7.269 4.748 7.229 1.00 0.00 H new ATOM 0 HA ASP A 88 7.609 7.486 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.017 5.105 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.400 5.686 5.262 1.00 0.00 H new ATOM 669 N PRO A 89 5.439 8.468 7.087 1.00 0.00 N ATOM 670 CA PRO A 89 4.301 9.074 7.745 1.00 0.00 C ATOM 671 C PRO A 89 3.006 8.528 7.148 1.00 0.00 C ATOM 672 O PRO A 89 1.986 8.492 7.836 1.00 0.00 O ATOM 673 CB PRO A 89 4.441 10.574 7.505 1.00 0.00 C ATOM 674 CG PRO A 89 5.325 10.682 6.275 1.00 0.00 C ATOM 675 CD PRO A 89 6.189 9.452 6.342 1.00 0.00 C ATOM 0 HA PRO A 89 4.269 8.854 8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.471 11.041 7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.892 11.073 8.363 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.734 10.706 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.924 11.593 6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.423 9.087 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.138 9.670 6.832 1.00 0.00 H new ATOM 683 N TYR A 90 3.017 8.095 5.884 1.00 0.00 N ATOM 684 CA TYR A 90 1.841 7.540 5.235 1.00 0.00 C ATOM 685 C TYR A 90 1.685 6.068 5.567 1.00 0.00 C ATOM 686 O TYR A 90 0.664 5.501 5.195 1.00 0.00 O ATOM 687 CB TYR A 90 1.902 7.748 3.718 1.00 0.00 C ATOM 688 CG TYR A 90 1.676 9.196 3.355 1.00 0.00 C ATOM 689 CD1 TYR A 90 2.743 10.108 3.434 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.379 9.644 3.042 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.516 11.476 3.203 1.00 0.00 C ATOM 692 CE2 TYR A 90 0.143 11.010 2.825 1.00 0.00 C ATOM 693 CZ TYR A 90 1.211 11.931 2.910 1.00 0.00 C ATOM 694 OH TYR A 90 0.977 13.255 2.726 1.00 0.00 O ATOM 0 H TYR A 90 3.844 8.122 5.288 1.00 0.00 H new ATOM 0 HA TYR A 90 0.968 8.070 5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.873 7.424 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.149 7.127 3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.737 9.758 3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.434 8.937 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.336 12.177 3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.853 11.357 2.593 1.00 0.00 H new ATOM 0 HH TYR A 90 0.027 13.395 2.532 1.00 0.00 H new ATOM 704 N HIS A 91 2.631 5.453 6.280 1.00 0.00 N ATOM 705 CA HIS A 91 2.534 4.046 6.623 1.00 0.00 C ATOM 706 C HIS A 91 1.231 3.742 7.359 1.00 0.00 C ATOM 707 O HIS A 91 0.492 2.873 6.914 1.00 0.00 O ATOM 708 CB HIS A 91 3.748 3.604 7.427 1.00 0.00 C ATOM 709 CG HIS A 91 3.728 2.124 7.672 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.953 1.176 6.706 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.420 1.485 8.841 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.818 -0.022 7.292 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.494 0.112 8.592 1.00 0.00 N ATOM 0 H HIS A 91 3.471 5.914 6.628 1.00 0.00 H new ATOM 0 HA HIS A 91 2.520 3.472 5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.659 3.874 6.893 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.768 4.133 8.380 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.180 1.350 5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.167 1.954 9.781 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.951 -0.968 6.789 1.00 0.00 H new ATOM 721 N ALA A 92 0.904 4.462 8.442 1.00 0.00 N ATOM 722 CA ALA A 92 -0.335 4.210 9.184 1.00 0.00 C ATOM 723 C ALA A 92 -1.570 4.320 8.282 1.00 0.00 C ATOM 724 O ALA A 92 -2.522 3.560 8.458 1.00 0.00 O ATOM 725 CB ALA A 92 -0.460 5.173 10.367 1.00 0.00 C ATOM 0 H ALA A 92 1.477 5.217 8.819 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.286 3.188 9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.386 4.970 10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.387 5.036 11.039 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.471 6.200 10.001 1.00 0.00 H new ATOM 731 N TYR A 93 -1.561 5.266 7.344 1.00 0.00 N ATOM 732 CA TYR A 93 -2.656 5.461 6.412 1.00 0.00 C ATOM 733 C TYR A 93 -2.700 4.271 5.456 1.00 0.00 C ATOM 734 O TYR A 93 -3.773 3.728 5.219 1.00 0.00 O ATOM 735 CB TYR A 93 -2.516 6.828 5.735 1.00 0.00 C ATOM 736 CG TYR A 93 -3.459 7.088 4.579 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.813 7.385 4.808 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.969 7.028 3.266 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.673 7.621 3.721 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.824 7.220 2.164 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.187 7.520 2.395 1.00 0.00 C ATOM 742 OH TYR A 93 -6.045 7.702 1.353 1.00 0.00 O ATOM 0 H TYR A 93 -0.788 5.918 7.214 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.622 5.486 6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.670 7.602 6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.492 6.932 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.193 7.432 5.818 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.920 6.832 3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.706 7.880 3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.444 7.139 1.156 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.670 7.292 0.545 1.00 0.00 H new ATOM 752 N TYR A 94 -1.551 3.811 4.949 1.00 0.00 N ATOM 753 CA TYR A 94 -1.497 2.666 4.054 1.00 0.00 C ATOM 754 C TYR A 94 -2.093 1.444 4.766 1.00 0.00 C ATOM 755 O TYR A 94 -2.855 0.681 4.169 1.00 0.00 O ATOM 756 CB TYR A 94 -0.056 2.394 3.568 1.00 0.00 C ATOM 757 CG TYR A 94 0.051 1.107 2.768 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.184 1.052 1.382 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.283 -0.085 3.460 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.245 -0.184 0.713 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.224 -1.317 2.798 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.050 -1.380 1.429 1.00 0.00 C ATOM 763 OH TYR A 94 -0.112 -2.597 0.831 1.00 0.00 O ATOM 0 H TYR A 94 -0.640 4.224 5.150 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.088 2.881 3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.282 3.229 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.611 2.341 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.319 1.968 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.510 -0.055 4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.441 -0.215 -0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.392 -2.229 3.351 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.306 -2.483 -0.123 1.00 0.00 H new ATOM 773 N ARG A 95 -1.755 1.263 6.049 1.00 0.00 N ATOM 774 CA ARG A 95 -2.252 0.150 6.860 1.00 0.00 C ATOM 775 C ARG A 95 -3.774 0.211 6.934 1.00 0.00 C ATOM 776 O ARG A 95 -4.417 -0.825 6.753 1.00 0.00 O ATOM 777 CB ARG A 95 -1.627 0.149 8.265 1.00 0.00 C ATOM 778 CG ARG A 95 -0.110 -0.104 8.297 1.00 0.00 C ATOM 779 CD ARG A 95 0.327 -1.435 7.671 1.00 0.00 C ATOM 780 NE ARG A 95 -0.350 -2.589 8.282 1.00 0.00 N ATOM 781 CZ ARG A 95 -0.116 -3.098 9.494 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.830 -2.578 10.269 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.839 -4.123 9.914 1.00 0.00 N ATOM 0 H ARG A 95 -1.127 1.888 6.553 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.957 -0.785 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.831 1.109 8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.121 -0.614 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.392 0.711 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.228 -0.076 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.116 -1.417 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.405 -1.549 7.781 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.071 -3.046 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.382 -1.786 9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.005 -2.971 11.194 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.565 -4.515 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.671 -4.521 10.838 1.00 0.00 H new ATOM 797 N HIS A 96 -4.335 1.400 7.176 1.00 0.00 N ATOM 798 CA HIS A 96 -5.773 1.619 7.242 1.00 0.00 C ATOM 799 C HIS A 96 -6.395 1.177 5.923 1.00 0.00 C ATOM 800 O HIS A 96 -7.342 0.391 5.931 1.00 0.00 O ATOM 801 CB HIS A 96 -6.062 3.106 7.534 1.00 0.00 C ATOM 802 CG HIS A 96 -7.478 3.555 7.281 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.582 3.273 8.046 1.00 0.00 N ATOM 804 CD2 HIS A 96 -7.887 4.339 6.239 1.00 0.00 C ATOM 805 CE1 HIS A 96 -9.632 3.894 7.483 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.264 4.569 6.374 1.00 0.00 N ATOM 0 H HIS A 96 -3.789 2.247 7.333 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.212 1.033 8.050 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.817 3.308 8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.393 3.714 6.926 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.257 4.717 5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.640 3.858 7.868 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.860 5.128 5.764 1.00 0.00 H new ATOM 814 N LYS A 97 -5.855 1.640 4.788 1.00 0.00 N ATOM 815 CA LYS A 97 -6.393 1.277 3.486 1.00 0.00 C ATOM 816 C LYS A 97 -6.390 -0.228 3.294 1.00 0.00 C ATOM 817 O LYS A 97 -7.358 -0.724 2.741 1.00 0.00 O ATOM 818 CB LYS A 97 -5.595 1.892 2.347 1.00 0.00 C ATOM 819 CG LYS A 97 -5.492 3.421 2.332 1.00 0.00 C ATOM 820 CD LYS A 97 -6.821 4.144 2.531 1.00 0.00 C ATOM 821 CE LYS A 97 -7.724 3.998 1.305 1.00 0.00 C ATOM 822 NZ LYS A 97 -8.686 5.112 1.224 1.00 0.00 N ATOM 0 H LYS A 97 -5.049 2.264 4.753 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.413 1.661 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.585 1.482 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.041 1.571 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.801 3.734 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.060 3.735 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.328 3.742 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.637 5.201 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.115 3.972 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.262 3.051 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.649 4.751 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.462 5.818 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.626 5.555 0.285 1.00 0.00 H new ATOM 836 N VAL A 98 -5.343 -0.950 3.705 1.00 0.00 N ATOM 837 CA VAL A 98 -5.294 -2.402 3.544 1.00 0.00 C ATOM 838 C VAL A 98 -6.563 -3.013 4.139 1.00 0.00 C ATOM 839 O VAL A 98 -7.306 -3.691 3.431 1.00 0.00 O ATOM 840 CB VAL A 98 -4.014 -2.989 4.171 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.056 -4.523 4.112 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.728 -2.453 3.517 1.00 0.00 C ATOM 0 H VAL A 98 -4.518 -0.550 4.152 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.255 -2.651 2.484 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.987 -2.666 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.148 -4.929 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.924 -4.885 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.126 -4.845 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.860 -2.902 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.726 -2.707 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.687 -1.370 3.630 1.00 0.00 H new ATOM 852 N SER A 99 -6.806 -2.767 5.427 1.00 0.00 N ATOM 853 CA SER A 99 -7.974 -3.268 6.129 1.00 0.00 C ATOM 854 C SER A 99 -9.262 -2.815 5.434 1.00 0.00 C ATOM 855 O SER A 99 -10.164 -3.627 5.243 1.00 0.00 O ATOM 856 CB SER A 99 -7.908 -2.779 7.580 1.00 0.00 C ATOM 857 OG SER A 99 -6.960 -3.520 8.340 1.00 0.00 O ATOM 0 H SER A 99 -6.187 -2.207 6.013 1.00 0.00 H new ATOM 0 HA SER A 99 -7.982 -4.358 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.642 -1.722 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.892 -2.867 8.039 1.00 0.00 H new ATOM 0 HG SER A 99 -6.942 -3.182 9.260 1.00 0.00 H new ATOM 863 N GLU A 100 -9.344 -1.562 5.004 1.00 0.00 N ATOM 864 CA GLU A 100 -10.514 -1.008 4.343 1.00 0.00 C ATOM 865 C GLU A 100 -10.821 -1.655 2.996 1.00 0.00 C ATOM 866 O GLU A 100 -11.973 -2.026 2.750 1.00 0.00 O ATOM 867 CB GLU A 100 -10.320 0.507 4.222 1.00 0.00 C ATOM 868 CG GLU A 100 -11.283 1.332 5.082 1.00 0.00 C ATOM 869 CD GLU A 100 -11.500 0.792 6.511 1.00 0.00 C ATOM 870 OE1 GLU A 100 -12.326 -0.121 6.705 1.00 0.00 O ATOM 871 OE2 GLU A 100 -10.880 1.267 7.487 1.00 0.00 O ATOM 0 H GLU A 100 -8.583 -0.891 5.108 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.391 -1.228 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.296 0.755 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.443 0.796 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.906 2.352 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.248 1.381 4.577 1.00 0.00 H new ATOM 878 N PHE A 101 -9.828 -1.792 2.112 1.00 0.00 N ATOM 879 CA PHE A 101 -10.035 -2.416 0.825 1.00 0.00 C ATOM 880 C PHE A 101 -10.386 -3.895 1.045 1.00 0.00 C ATOM 881 O PHE A 101 -11.137 -4.467 0.260 1.00 0.00 O ATOM 882 CB PHE A 101 -8.783 -2.255 -0.049 1.00 0.00 C ATOM 883 CG PHE A 101 -8.720 -0.970 -0.870 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.349 -0.887 -2.128 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.946 0.116 -0.425 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.154 0.247 -2.946 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.769 1.254 -1.234 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.364 1.319 -2.505 1.00 0.00 C ATOM 0 H PHE A 101 -8.873 -1.474 2.276 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.860 -1.934 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.904 -2.299 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.724 -3.104 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.982 -1.693 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.482 0.077 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.617 0.290 -3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.173 2.081 -0.876 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.215 2.184 -3.135 1.00 0.00 H new ATOM 898 N LYS A 102 -9.861 -4.525 2.105 1.00 0.00 N ATOM 899 CA LYS A 102 -10.133 -5.927 2.442 1.00 0.00 C ATOM 900 C LYS A 102 -11.607 -6.080 2.776 1.00 0.00 C ATOM 901 O LYS A 102 -12.230 -7.049 2.353 1.00 0.00 O ATOM 902 CB LYS A 102 -9.275 -6.356 3.645 1.00 0.00 C ATOM 903 CG LYS A 102 -8.056 -7.186 3.234 1.00 0.00 C ATOM 904 CD LYS A 102 -6.843 -6.916 4.134 1.00 0.00 C ATOM 905 CE LYS A 102 -6.112 -8.208 4.485 1.00 0.00 C ATOM 906 NZ LYS A 102 -4.827 -7.949 5.161 1.00 0.00 N ATOM 0 H LYS A 102 -9.227 -4.068 2.761 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.883 -6.561 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.941 -5.469 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.888 -6.935 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.309 -8.245 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.797 -6.960 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.158 -6.234 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.170 -6.421 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.744 -8.819 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.934 -8.783 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.363 -8.853 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.213 -7.388 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.998 -7.423 6.042 1.00 0.00 H new ATOM 920 N GLU A 103 -12.165 -5.151 3.552 1.00 0.00 N ATOM 921 CA GLU A 103 -13.580 -5.214 3.904 1.00 0.00 C ATOM 922 C GLU A 103 -14.441 -4.846 2.690 1.00 0.00 C ATOM 923 O GLU A 103 -15.640 -5.118 2.677 1.00 0.00 O ATOM 924 CB GLU A 103 -13.900 -4.251 5.054 1.00 0.00 C ATOM 925 CG GLU A 103 -12.998 -4.415 6.286 1.00 0.00 C ATOM 926 CD GLU A 103 -13.763 -4.382 7.604 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.290 -3.308 7.964 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.771 -5.407 8.325 1.00 0.00 O ATOM 0 H GLU A 103 -11.664 -4.354 3.945 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.803 -6.233 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.814 -3.227 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.937 -4.396 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.460 -5.360 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.250 -3.622 6.288 1.00 0.00 H new ATOM 935 N GLY A 104 -13.846 -4.211 1.679 1.00 0.00 N ATOM 936 CA GLY A 104 -14.515 -3.792 0.464 1.00 0.00 C ATOM 937 C GLY A 104 -15.314 -2.514 0.687 1.00 0.00 C ATOM 938 O GLY A 104 -16.416 -2.399 0.150 1.00 0.00 O ATOM 0 H GLY A 104 -12.855 -3.971 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.778 -3.631 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.180 -4.584 0.120 1.00 0.00 H new ATOM 942 N LYS A 105 -14.824 -1.563 1.495 1.00 0.00 N ATOM 943 CA LYS A 105 -15.540 -0.308 1.753 1.00 0.00 C ATOM 944 C LYS A 105 -14.807 0.947 1.314 1.00 0.00 C ATOM 945 O LYS A 105 -15.472 1.979 1.194 1.00 0.00 O ATOM 946 CB LYS A 105 -15.938 -0.197 3.227 1.00 0.00 C ATOM 947 CG LYS A 105 -14.781 0.215 4.138 1.00 0.00 C ATOM 948 CD LYS A 105 -15.225 0.353 5.589 1.00 0.00 C ATOM 949 CE LYS A 105 -15.027 -0.937 6.393 1.00 0.00 C ATOM 950 NZ LYS A 105 -16.124 -1.927 6.324 1.00 0.00 N ATOM 0 H LYS A 105 -13.931 -1.641 1.982 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.432 -0.363 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -16.744 0.530 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.332 -1.156 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.984 -0.525 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.366 1.162 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.665 1.160 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.277 0.636 5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.111 -1.417 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.874 -0.669 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.912 -2.725 6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.015 -1.479 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.217 -2.274 5.348 1.00 0.00 H new ATOM 964 N ALA A 106 -13.476 0.917 1.165 1.00 0.00 N ATOM 965 CA ALA A 106 -12.790 2.123 0.734 1.00 0.00 C ATOM 966 C ALA A 106 -13.296 2.511 -0.652 1.00 0.00 C ATOM 967 O ALA A 106 -13.645 1.662 -1.475 1.00 0.00 O ATOM 968 CB ALA A 106 -11.269 1.980 0.680 1.00 0.00 C ATOM 0 H ALA A 106 -12.882 0.105 1.330 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.009 2.891 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.827 2.920 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.892 1.730 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.003 1.188 -0.020 1.00 0.00 H new ATOM 974 N GLN A 107 -13.295 3.815 -0.884 1.00 0.00 N ATOM 975 CA GLN A 107 -13.716 4.463 -2.104 1.00 0.00 C ATOM 976 C GLN A 107 -12.611 4.300 -3.142 1.00 0.00 C ATOM 977 O GLN A 107 -11.728 5.157 -3.271 1.00 0.00 O ATOM 978 CB GLN A 107 -14.013 5.930 -1.788 1.00 0.00 C ATOM 979 CG GLN A 107 -15.151 6.062 -0.767 1.00 0.00 C ATOM 980 CD GLN A 107 -15.630 7.505 -0.676 1.00 0.00 C ATOM 981 OE1 GLN A 107 -15.458 8.181 0.335 1.00 0.00 O ATOM 982 NE2 GLN A 107 -16.241 8.023 -1.728 1.00 0.00 N ATOM 0 H GLN A 107 -12.981 4.483 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.623 4.018 -2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.115 6.409 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.282 6.454 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.981 5.416 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.809 5.725 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.382 7.458 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.572 8.988 -1.702 1.00 0.00 H new