USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 927 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 38 ASN : amide:sc= -0.273 K(o=0.13,f=0.7) USER MOD Set 1.2: A 84 HIS : no HD1:sc= 0.401 K(o=0.13,f=-3.7!) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.73) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.877 K(o=-0.88,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 51:sc= 1.18 USER MOD Single : A 25 ASN : amide:sc= -0.418 X(o=-0.42,f=0.057) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 143:sc= 1.17 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 63:sc= 0.432 USER MOD Single : A 49 CYS SG : rot 180:sc=-3.69e-05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 28:sc= 0.927 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -9.06! C(o=-9.1!,f=-11!) USER MOD Single : A 68 ASN : amide:sc=-0.00243 X(o=-0.0024,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 83 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.093) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00118 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 87:sc= 0.0772 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -5.205 -12.980 -9.744 1.00 0.00 N ATOM 41 CA ASN A 4 -5.022 -11.714 -9.044 1.00 0.00 C ATOM 42 C ASN A 4 -4.370 -11.937 -7.679 1.00 0.00 C ATOM 43 O ASN A 4 -4.890 -12.691 -6.857 1.00 0.00 O ATOM 44 CB ASN A 4 -6.367 -11.006 -8.870 1.00 0.00 C ATOM 45 CG ASN A 4 -6.226 -9.497 -8.847 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.287 -8.872 -7.788 1.00 0.00 O ATOM 47 ND2 ASN A 4 -6.038 -8.902 -10.020 1.00 0.00 N ATOM 0 HA ASN A 4 -4.363 -11.086 -9.644 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.034 -11.294 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.833 -11.339 -7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.938 -7.888 -10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.994 -9.459 -10.873 1.00 0.00 H new ATOM 54 N PRO A 5 -3.219 -11.286 -7.418 1.00 0.00 N ATOM 55 CA PRO A 5 -2.504 -11.424 -6.143 1.00 0.00 C ATOM 56 C PRO A 5 -3.342 -10.968 -4.951 1.00 0.00 C ATOM 57 O PRO A 5 -3.248 -11.535 -3.862 1.00 0.00 O ATOM 58 CB PRO A 5 -1.279 -10.516 -6.308 1.00 0.00 C ATOM 59 CG PRO A 5 -1.131 -10.327 -7.778 1.00 0.00 C ATOM 60 CD PRO A 5 -2.523 -10.371 -8.338 1.00 0.00 C ATOM 0 HA PRO A 5 -2.253 -12.465 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.424 -9.562 -5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.388 -10.974 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.649 -9.376 -8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.510 -11.110 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.984 -9.384 -8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.535 -10.742 -9.363 1.00 0.00 H new ATOM 68 N ALA A 6 -4.161 -9.942 -5.165 1.00 0.00 N ATOM 69 CA ALA A 6 -5.011 -9.410 -4.106 1.00 0.00 C ATOM 70 C ALA A 6 -6.130 -10.385 -3.755 1.00 0.00 C ATOM 71 O ALA A 6 -6.583 -10.439 -2.611 1.00 0.00 O ATOM 72 CB ALA A 6 -5.589 -8.064 -4.519 1.00 0.00 C ATOM 0 H ALA A 6 -4.254 -9.463 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.396 -9.271 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.221 -7.679 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.777 -7.362 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.183 -8.186 -5.425 1.00 0.00 H new ATOM 78 N GLU A 7 -6.572 -11.156 -4.745 1.00 0.00 N ATOM 79 CA GLU A 7 -7.639 -12.128 -4.538 1.00 0.00 C ATOM 80 C GLU A 7 -7.098 -13.413 -3.917 1.00 0.00 C ATOM 81 O GLU A 7 -7.690 -13.960 -2.987 1.00 0.00 O ATOM 82 CB GLU A 7 -8.333 -12.444 -5.865 1.00 0.00 C ATOM 83 CG GLU A 7 -9.317 -11.374 -6.308 1.00 0.00 C ATOM 84 CD GLU A 7 -10.063 -11.755 -7.571 1.00 0.00 C ATOM 85 OE1 GLU A 7 -11.125 -12.403 -7.460 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.586 -11.406 -8.671 1.00 0.00 O ATOM 0 H GLU A 7 -6.208 -11.126 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.363 -11.691 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.577 -12.573 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.860 -13.394 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.034 -11.192 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.781 -10.440 -6.475 1.00 0.00 H new ATOM 93 N ASN A 8 -5.971 -13.888 -4.437 1.00 0.00 N ATOM 94 CA ASN A 8 -5.349 -15.109 -3.936 1.00 0.00 C ATOM 95 C ASN A 8 -4.909 -14.942 -2.485 1.00 0.00 C ATOM 96 O ASN A 8 -4.837 -15.914 -1.732 1.00 0.00 O ATOM 97 CB ASN A 8 -4.148 -15.487 -4.806 1.00 0.00 C ATOM 98 CG ASN A 8 -3.848 -16.973 -4.762 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.250 -17.725 -5.650 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.137 -17.403 -3.727 1.00 0.00 N ATOM 0 H ASN A 8 -5.469 -13.445 -5.207 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.089 -15.908 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.341 -15.188 -5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.271 -14.932 -4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.903 -18.392 -3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.824 -16.744 -3.014 1.00 0.00 H new ATOM 107 N PHE A 9 -4.612 -13.705 -2.101 1.00 0.00 N ATOM 108 CA PHE A 9 -4.181 -13.411 -0.741 1.00 0.00 C ATOM 109 C PHE A 9 -5.384 -13.280 0.191 1.00 0.00 C ATOM 110 O PHE A 9 -5.394 -13.834 1.291 1.00 0.00 O ATOM 111 CB PHE A 9 -3.345 -12.125 -0.721 1.00 0.00 C ATOM 112 CG PHE A 9 -3.524 -11.294 0.520 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.881 -11.638 1.698 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.334 -10.171 0.506 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.044 -10.877 2.840 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.501 -9.405 1.645 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.854 -9.759 2.812 1.00 0.00 C ATOM 0 H PHE A 9 -4.662 -12.891 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.565 -14.237 -0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.292 -12.388 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.606 -11.521 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.245 -12.511 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.841 -9.890 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.539 -11.156 3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.136 -8.532 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.981 -9.162 3.703 1.00 0.00 H new ATOM 127 N ARG A 10 -6.396 -12.545 -0.262 1.00 0.00 N ATOM 128 CA ARG A 10 -7.603 -12.333 0.528 1.00 0.00 C ATOM 129 C ARG A 10 -8.329 -13.649 0.792 1.00 0.00 C ATOM 130 O ARG A 10 -8.964 -13.819 1.833 1.00 0.00 O ATOM 131 CB ARG A 10 -8.539 -11.357 -0.186 1.00 0.00 C ATOM 132 CG ARG A 10 -8.231 -9.897 0.104 1.00 0.00 C ATOM 133 CD ARG A 10 -9.131 -8.969 -0.694 1.00 0.00 C ATOM 134 NE ARG A 10 -8.911 -7.565 -0.353 1.00 0.00 N ATOM 135 CZ ARG A 10 -9.861 -6.636 -0.405 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.091 -6.960 -0.783 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.580 -5.382 -0.079 1.00 0.00 N ATOM 0 H ARG A 10 -6.403 -12.086 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.305 -11.909 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.476 -11.527 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.566 -11.569 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.358 -9.702 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.188 -9.689 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.950 -9.116 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.174 -9.228 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.976 -7.282 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.310 -7.924 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.818 -6.245 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.635 -5.130 0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.309 -4.669 -0.119 1.00 0.00 H new ATOM 151 N VAL A 11 -8.231 -14.579 -0.155 1.00 0.00 N ATOM 152 CA VAL A 11 -8.887 -15.874 -0.018 1.00 0.00 C ATOM 153 C VAL A 11 -8.097 -16.799 0.905 1.00 0.00 C ATOM 154 O VAL A 11 -8.675 -17.522 1.714 1.00 0.00 O ATOM 155 CB VAL A 11 -9.081 -16.561 -1.385 1.00 0.00 C ATOM 156 CG1 VAL A 11 -7.741 -16.874 -2.031 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.917 -17.824 -1.234 1.00 0.00 C ATOM 0 H VAL A 11 -7.706 -14.460 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.867 -15.684 0.420 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.616 -15.872 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.905 -17.358 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.184 -15.949 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.171 -17.540 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.043 -18.295 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.413 -18.516 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.894 -17.567 -0.826 1.00 0.00 H new ATOM 167 N LEU A 12 -6.775 -16.768 0.787 1.00 0.00 N ATOM 168 CA LEU A 12 -5.920 -17.609 1.616 1.00 0.00 C ATOM 169 C LEU A 12 -6.006 -17.186 3.079 1.00 0.00 C ATOM 170 O LEU A 12 -5.774 -17.989 3.983 1.00 0.00 O ATOM 171 CB LEU A 12 -4.468 -17.533 1.135 1.00 0.00 C ATOM 172 CG LEU A 12 -3.650 -18.808 1.343 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.767 -19.078 0.134 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.808 -18.701 2.606 1.00 0.00 C ATOM 0 H LEU A 12 -6.273 -16.172 0.128 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.268 -18.638 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.465 -17.287 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.972 -16.713 1.654 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.339 -19.644 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.192 -19.989 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.390 -19.198 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.085 -18.240 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.232 -19.617 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.127 -17.854 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.460 -18.555 3.467 1.00 0.00 H new ATOM 186 N VAL A 13 -6.339 -15.919 3.299 1.00 0.00 N ATOM 187 CA VAL A 13 -6.452 -15.381 4.652 1.00 0.00 C ATOM 188 C VAL A 13 -7.899 -15.389 5.140 1.00 0.00 C ATOM 189 O VAL A 13 -8.178 -15.019 6.281 1.00 0.00 O ATOM 190 CB VAL A 13 -5.887 -13.950 4.749 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.431 -13.920 4.311 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.717 -12.980 3.925 1.00 0.00 C ATOM 0 H VAL A 13 -6.536 -15.245 2.559 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.859 -16.034 5.292 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.939 -13.635 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.049 -12.902 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.844 -14.576 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.355 -14.261 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.297 -11.978 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.707 -13.289 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.743 -12.976 4.292 1.00 0.00 H new ATOM 202 N LYS A 14 -8.815 -15.811 4.272 1.00 0.00 N ATOM 203 CA LYS A 14 -10.234 -15.852 4.621 1.00 0.00 C ATOM 204 C LYS A 14 -10.690 -17.274 4.935 1.00 0.00 C ATOM 205 O LYS A 14 -11.366 -17.512 5.937 1.00 0.00 O ATOM 206 CB LYS A 14 -11.079 -15.277 3.483 1.00 0.00 C ATOM 207 CG LYS A 14 -11.515 -13.840 3.716 1.00 0.00 C ATOM 208 CD LYS A 14 -12.620 -13.430 2.756 1.00 0.00 C ATOM 209 CE LYS A 14 -13.006 -11.971 2.940 1.00 0.00 C ATOM 210 NZ LYS A 14 -13.875 -11.483 1.835 1.00 0.00 N ATOM 0 H LYS A 14 -8.602 -16.128 3.326 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.371 -15.244 5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.508 -15.329 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.964 -15.899 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.863 -13.726 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.660 -13.175 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.291 -13.594 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.494 -14.061 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.525 -11.850 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.104 -11.360 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.116 -10.484 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.370 -11.574 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.747 -12.049 1.804 1.00 0.00 H new ATOM 224 N GLN A 15 -10.318 -18.216 4.075 1.00 0.00 N ATOM 225 CA GLN A 15 -10.697 -19.615 4.259 1.00 0.00 C ATOM 226 C GLN A 15 -9.744 -20.314 5.210 1.00 0.00 C ATOM 227 O GLN A 15 -9.901 -21.502 5.494 1.00 0.00 O ATOM 228 CB GLN A 15 -10.685 -20.363 2.927 1.00 0.00 C ATOM 229 CG GLN A 15 -10.969 -19.487 1.716 1.00 0.00 C ATOM 230 CD GLN A 15 -12.447 -19.190 1.545 1.00 0.00 C ATOM 231 OE1 GLN A 15 -13.078 -19.651 0.594 1.00 0.00 O ATOM 232 NE2 GLN A 15 -13.007 -18.415 2.466 1.00 0.00 N ATOM 0 H GLN A 15 -9.755 -18.038 3.244 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.704 -19.623 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.712 -20.837 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.426 -21.162 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.423 -18.549 1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.595 -19.981 0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.447 -18.054 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.998 -18.180 2.401 1.00 0.00 H new ATOM 241 N LYS A 16 -8.759 -19.580 5.704 1.00 0.00 N ATOM 242 CA LYS A 16 -7.776 -20.151 6.594 1.00 0.00 C ATOM 243 C LYS A 16 -6.932 -19.055 7.207 1.00 0.00 C ATOM 244 O LYS A 16 -6.390 -18.208 6.499 1.00 0.00 O ATOM 245 CB LYS A 16 -6.887 -21.126 5.830 1.00 0.00 C ATOM 246 CG LYS A 16 -5.916 -21.863 6.721 1.00 0.00 C ATOM 247 CD LYS A 16 -4.597 -22.133 6.013 1.00 0.00 C ATOM 248 CE LYS A 16 -4.200 -23.596 6.111 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.571 -23.915 7.423 1.00 0.00 N ATOM 0 H LYS A 16 -8.624 -18.590 5.501 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.290 -20.688 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.514 -21.849 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.330 -20.581 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.732 -21.278 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.358 -22.807 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.681 -21.847 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.815 -21.513 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.081 -24.221 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.505 -23.838 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.315 -24.923 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.715 -23.337 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.243 -23.708 8.189 1.00 0.00 H new ATOM 263 N LYS A 17 -6.819 -19.067 8.522 1.00 0.00 N ATOM 264 CA LYS A 17 -6.038 -18.055 9.198 1.00 0.00 C ATOM 265 C LYS A 17 -4.560 -18.426 9.201 1.00 0.00 C ATOM 266 O LYS A 17 -4.040 -18.949 10.188 1.00 0.00 O ATOM 267 CB LYS A 17 -6.541 -17.846 10.628 1.00 0.00 C ATOM 268 CG LYS A 17 -7.977 -17.356 10.702 1.00 0.00 C ATOM 269 CD LYS A 17 -8.049 -15.838 10.704 1.00 0.00 C ATOM 270 CE LYS A 17 -9.326 -15.341 11.359 1.00 0.00 C ATOM 271 NZ LYS A 17 -9.318 -13.863 11.546 1.00 0.00 N ATOM 0 H LYS A 17 -7.253 -19.758 9.134 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.155 -17.118 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.458 -18.785 11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.894 -17.127 11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.540 -17.747 9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.449 -17.745 11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.186 -15.433 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.997 -15.469 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.182 -15.624 10.746 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.451 -15.828 12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.207 -13.565 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.516 -13.594 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.225 -13.397 10.621 1.00 0.00 H new ATOM 285 N ALA A 18 -3.889 -18.151 8.087 1.00 0.00 N ATOM 286 CA ALA A 18 -2.469 -18.454 7.952 1.00 0.00 C ATOM 287 C ALA A 18 -1.612 -17.331 8.524 1.00 0.00 C ATOM 288 O ALA A 18 -0.444 -17.186 8.162 1.00 0.00 O ATOM 289 CB ALA A 18 -2.120 -18.698 6.491 1.00 0.00 C ATOM 0 H ALA A 18 -4.307 -17.718 7.263 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.259 -19.360 8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.057 -18.923 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.701 -19.539 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.351 -17.807 5.908 1.00 0.00 H new ATOM 295 N SER A 19 -2.204 -16.540 9.418 1.00 0.00 N ATOM 296 CA SER A 19 -1.505 -15.424 10.049 1.00 0.00 C ATOM 297 C SER A 19 -1.137 -14.352 9.027 1.00 0.00 C ATOM 298 O SER A 19 -0.701 -14.657 7.917 1.00 0.00 O ATOM 299 CB SER A 19 -0.248 -15.916 10.770 1.00 0.00 C ATOM 300 OG SER A 19 -0.481 -17.157 11.412 1.00 0.00 O ATOM 0 H SER A 19 -3.171 -16.653 9.722 1.00 0.00 H new ATOM 0 HA SER A 19 -2.181 -14.980 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.568 -16.021 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.066 -15.176 11.506 1.00 0.00 H new ATOM 0 HG SER A 19 0.338 -17.450 11.864 1.00 0.00 H new ATOM 306 N PHE A 20 -1.323 -13.093 9.411 1.00 0.00 N ATOM 307 CA PHE A 20 -1.006 -11.966 8.541 1.00 0.00 C ATOM 308 C PHE A 20 0.497 -11.690 8.546 1.00 0.00 C ATOM 309 O PHE A 20 0.935 -10.588 8.878 1.00 0.00 O ATOM 310 CB PHE A 20 -1.769 -10.722 9.003 1.00 0.00 C ATOM 311 CG PHE A 20 -2.166 -9.803 7.884 1.00 0.00 C ATOM 312 CD1 PHE A 20 -1.246 -8.930 7.326 1.00 0.00 C ATOM 313 CD2 PHE A 20 -3.463 -9.806 7.396 1.00 0.00 C ATOM 314 CE1 PHE A 20 -1.611 -8.078 6.301 1.00 0.00 C ATOM 315 CE2 PHE A 20 -3.833 -8.956 6.370 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.906 -8.091 5.823 1.00 0.00 C ATOM 0 H PHE A 20 -1.693 -12.827 10.323 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.308 -12.215 7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.665 -11.035 9.538 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.151 -10.171 9.711 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.232 -8.915 7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.192 -10.479 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.884 -7.403 5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.846 -8.969 5.997 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.194 -7.426 5.022 1.00 0.00 H new ATOM 326 N GLU A 21 1.283 -12.699 8.175 1.00 0.00 N ATOM 327 CA GLU A 21 2.735 -12.567 8.148 1.00 0.00 C ATOM 328 C GLU A 21 3.302 -13.001 6.799 1.00 0.00 C ATOM 329 O GLU A 21 3.814 -12.179 6.038 1.00 0.00 O ATOM 330 CB GLU A 21 3.363 -13.399 9.268 1.00 0.00 C ATOM 331 CG GLU A 21 4.292 -12.604 10.170 1.00 0.00 C ATOM 332 CD GLU A 21 4.776 -13.408 11.359 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.611 -14.316 11.163 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.320 -13.131 12.489 1.00 0.00 O ATOM 0 H GLU A 21 0.937 -13.615 7.890 1.00 0.00 H new ATOM 0 HA GLU A 21 2.980 -11.516 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.569 -13.836 9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.919 -14.226 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.151 -12.264 9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.774 -11.713 10.525 1.00 0.00 H new ATOM 341 N GLU A 22 3.216 -14.296 6.512 1.00 0.00 N ATOM 342 CA GLU A 22 3.722 -14.835 5.254 1.00 0.00 C ATOM 343 C GLU A 22 2.990 -14.226 4.063 1.00 0.00 C ATOM 344 O GLU A 22 3.612 -13.817 3.083 1.00 0.00 O ATOM 345 CB GLU A 22 3.575 -16.358 5.233 1.00 0.00 C ATOM 346 CG GLU A 22 4.773 -17.094 5.812 1.00 0.00 C ATOM 347 CD GLU A 22 4.601 -17.422 7.282 1.00 0.00 C ATOM 348 OE1 GLU A 22 4.040 -18.494 7.589 1.00 0.00 O ATOM 349 OE2 GLU A 22 5.028 -16.607 8.126 1.00 0.00 O ATOM 0 H GLU A 22 2.801 -14.991 7.133 1.00 0.00 H new ATOM 0 HA GLU A 22 4.778 -14.576 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.683 -16.636 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.420 -16.685 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.932 -18.017 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.667 -16.484 5.682 1.00 0.00 H new ATOM 356 N ALA A 23 1.665 -14.171 4.155 1.00 0.00 N ATOM 357 CA ALA A 23 0.846 -13.612 3.086 1.00 0.00 C ATOM 358 C ALA A 23 1.189 -12.147 2.834 1.00 0.00 C ATOM 359 O ALA A 23 1.281 -11.709 1.687 1.00 0.00 O ATOM 360 CB ALA A 23 -0.630 -13.759 3.425 1.00 0.00 C ATOM 0 H ALA A 23 1.136 -14.507 4.960 1.00 0.00 H new ATOM 0 HA ALA A 23 1.058 -14.167 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.232 -13.338 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.872 -14.815 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.845 -13.229 4.353 1.00 0.00 H new ATOM 366 N SER A 24 1.380 -11.394 3.913 1.00 0.00 N ATOM 367 CA SER A 24 1.713 -9.978 3.806 1.00 0.00 C ATOM 368 C SER A 24 3.081 -9.792 3.158 1.00 0.00 C ATOM 369 O SER A 24 3.219 -9.063 2.176 1.00 0.00 O ATOM 370 CB SER A 24 1.694 -9.321 5.186 1.00 0.00 C ATOM 371 OG SER A 24 1.970 -10.264 6.206 1.00 0.00 O ATOM 0 H SER A 24 1.310 -11.740 4.870 1.00 0.00 H new ATOM 0 HA SER A 24 0.963 -9.499 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.431 -8.519 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.719 -8.866 5.362 1.00 0.00 H new ATOM 0 HG SER A 24 2.785 -10.760 5.981 1.00 0.00 H new ATOM 377 N ASN A 25 4.090 -10.454 3.720 1.00 0.00 N ATOM 378 CA ASN A 25 5.450 -10.367 3.197 1.00 0.00 C ATOM 379 C ASN A 25 5.478 -10.672 1.703 1.00 0.00 C ATOM 380 O ASN A 25 6.061 -9.923 0.917 1.00 0.00 O ATOM 381 CB ASN A 25 6.370 -11.336 3.944 1.00 0.00 C ATOM 382 CG ASN A 25 7.108 -10.668 5.087 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.259 -10.255 4.941 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.448 -10.558 6.234 1.00 0.00 N ATOM 0 H ASN A 25 3.991 -11.056 4.537 1.00 0.00 H new ATOM 0 HA ASN A 25 5.807 -9.348 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.780 -12.166 4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.093 -11.758 3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.894 -10.117 7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.495 -10.914 6.310 1.00 0.00 H new ATOM 391 N GLN A 26 4.845 -11.778 1.319 1.00 0.00 N ATOM 392 CA GLN A 26 4.789 -12.178 -0.082 1.00 0.00 C ATOM 393 C GLN A 26 4.194 -11.062 -0.931 1.00 0.00 C ATOM 394 O GLN A 26 4.731 -10.712 -1.983 1.00 0.00 O ATOM 395 CB GLN A 26 3.959 -13.454 -0.239 1.00 0.00 C ATOM 396 CG GLN A 26 4.763 -14.730 -0.048 1.00 0.00 C ATOM 397 CD GLN A 26 3.966 -15.976 -0.385 1.00 0.00 C ATOM 398 OE1 GLN A 26 3.841 -16.350 -1.551 1.00 0.00 O ATOM 399 NE2 GLN A 26 3.422 -16.626 0.638 1.00 0.00 N ATOM 0 H GLN A 26 4.365 -12.411 1.958 1.00 0.00 H new ATOM 0 HA GLN A 26 5.805 -12.375 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.142 -13.437 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.507 -13.464 -1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.653 -14.692 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.104 -14.789 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.551 -16.280 1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.875 -17.471 0.473 1.00 0.00 H new ATOM 408 N LEU A 27 3.077 -10.509 -0.466 1.00 0.00 N ATOM 409 CA LEU A 27 2.411 -9.423 -1.171 1.00 0.00 C ATOM 410 C LEU A 27 3.373 -8.262 -1.396 1.00 0.00 C ATOM 411 O LEU A 27 3.494 -7.753 -2.512 1.00 0.00 O ATOM 412 CB LEU A 27 1.188 -8.942 -0.385 1.00 0.00 C ATOM 413 CG LEU A 27 -0.140 -9.004 -1.145 1.00 0.00 C ATOM 414 CD1 LEU A 27 -1.276 -8.489 -0.275 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.057 -8.208 -2.438 1.00 0.00 C ATOM 0 H LEU A 27 2.615 -10.797 0.397 1.00 0.00 H new ATOM 0 HA LEU A 27 2.081 -9.799 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.099 -9.542 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.360 -7.913 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.342 -10.045 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.212 -8.540 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.353 -9.102 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.078 -7.455 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.011 -8.265 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.170 -7.167 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.730 -8.621 -3.070 1.00 0.00 H new ATOM 427 N ILE A 28 4.054 -7.843 -0.330 1.00 0.00 N ATOM 428 CA ILE A 28 5.006 -6.742 -0.417 1.00 0.00 C ATOM 429 C ILE A 28 6.087 -7.033 -1.453 1.00 0.00 C ATOM 430 O ILE A 28 6.452 -6.158 -2.240 1.00 0.00 O ATOM 431 CB ILE A 28 5.668 -6.461 0.949 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.698 -5.705 1.859 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.956 -5.668 0.774 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.355 -6.452 3.126 1.00 0.00 C ATOM 0 H ILE A 28 3.963 -8.250 0.601 1.00 0.00 H new ATOM 0 HA ILE A 28 4.446 -5.859 -0.724 1.00 0.00 H new ATOM 0 HB ILE A 28 5.917 -7.415 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.135 -4.741 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.780 -5.500 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.404 -5.482 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.652 -6.236 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.735 -4.717 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.663 -5.857 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.889 -7.404 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.264 -6.634 3.699 1.00 0.00 H new ATOM 446 N ASN A 29 6.598 -8.263 -1.451 1.00 0.00 N ATOM 447 CA ASN A 29 7.634 -8.655 -2.397 1.00 0.00 C ATOM 448 C ASN A 29 7.124 -8.520 -3.823 1.00 0.00 C ATOM 449 O ASN A 29 7.818 -7.990 -4.693 1.00 0.00 O ATOM 450 CB ASN A 29 8.081 -10.095 -2.133 1.00 0.00 C ATOM 451 CG ASN A 29 9.471 -10.167 -1.532 1.00 0.00 C ATOM 452 OD1 ASN A 29 10.472 -10.052 -2.239 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.539 -10.360 -0.220 1.00 0.00 N ATOM 0 H ASN A 29 6.311 -9.000 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 29 8.490 -7.994 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.371 -10.575 -1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.063 -10.656 -3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.447 -10.418 0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.683 -10.450 0.327 1.00 0.00 H new ATOM 460 N HIS A 30 5.908 -9.004 -4.056 1.00 0.00 N ATOM 461 CA HIS A 30 5.297 -8.920 -5.375 1.00 0.00 C ATOM 462 C HIS A 30 5.270 -7.471 -5.836 1.00 0.00 C ATOM 463 O HIS A 30 5.646 -7.157 -6.966 1.00 0.00 O ATOM 464 CB HIS A 30 3.876 -9.489 -5.345 1.00 0.00 C ATOM 465 CG HIS A 30 3.797 -10.922 -5.773 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.973 -11.329 -7.080 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.558 -12.048 -5.060 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.845 -12.642 -7.151 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.593 -13.102 -5.940 1.00 0.00 N ATOM 0 H HIS A 30 5.329 -9.457 -3.349 1.00 0.00 H new ATOM 0 HA HIS A 30 5.889 -9.509 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.478 -9.397 -4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.239 -8.888 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.374 -12.106 -3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.932 -13.238 -8.048 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.448 -14.082 -5.697 1.00 0.00 H new ATOM 478 N ILE A 31 4.819 -6.592 -4.945 1.00 0.00 N ATOM 479 CA ILE A 31 4.760 -5.167 -5.244 1.00 0.00 C ATOM 480 C ILE A 31 6.138 -4.656 -5.650 1.00 0.00 C ATOM 481 O ILE A 31 6.287 -3.983 -6.671 1.00 0.00 O ATOM 482 CB ILE A 31 4.254 -4.352 -4.037 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.859 -4.823 -3.622 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.239 -2.866 -4.367 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.432 -4.325 -2.258 1.00 0.00 C ATOM 0 H ILE A 31 4.490 -6.842 -4.012 1.00 0.00 H new ATOM 0 HA ILE A 31 4.057 -5.037 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 31 4.935 -4.512 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.135 -4.487 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.837 -5.913 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.879 -2.305 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.248 -2.539 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.579 -2.688 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.433 -4.698 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.133 -4.682 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.421 -3.235 -2.256 1.00 0.00 H new ATOM 497 N GLU A 32 7.140 -4.983 -4.839 1.00 0.00 N ATOM 498 CA GLU A 32 8.514 -4.573 -5.110 1.00 0.00 C ATOM 499 C GLU A 32 8.941 -5.006 -6.508 1.00 0.00 C ATOM 500 O GLU A 32 9.537 -4.229 -7.254 1.00 0.00 O ATOM 501 CB GLU A 32 9.463 -5.168 -4.068 1.00 0.00 C ATOM 502 CG GLU A 32 9.515 -4.377 -2.772 1.00 0.00 C ATOM 503 CD GLU A 32 10.438 -5.003 -1.745 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.642 -4.668 -1.747 1.00 0.00 O ATOM 505 OE2 GLU A 32 9.959 -5.828 -0.939 1.00 0.00 O ATOM 0 H GLU A 32 7.026 -5.532 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 32 8.561 -3.486 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.154 -6.190 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.466 -5.223 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.848 -3.361 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.511 -4.303 -2.355 1.00 0.00 H new ATOM 512 N GLN A 33 8.632 -6.252 -6.856 1.00 0.00 N ATOM 513 CA GLN A 33 8.976 -6.785 -8.168 1.00 0.00 C ATOM 514 C GLN A 33 8.321 -5.954 -9.263 1.00 0.00 C ATOM 515 O GLN A 33 8.961 -5.589 -10.247 1.00 0.00 O ATOM 516 CB GLN A 33 8.536 -8.246 -8.283 1.00 0.00 C ATOM 517 CG GLN A 33 9.601 -9.239 -7.850 1.00 0.00 C ATOM 518 CD GLN A 33 9.103 -10.671 -7.865 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.327 -11.079 -7.002 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.550 -11.443 -8.849 1.00 0.00 N ATOM 0 H GLN A 33 8.145 -6.910 -6.248 1.00 0.00 H new ATOM 0 HA GLN A 33 10.058 -6.736 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.643 -8.396 -7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.258 -8.452 -9.316 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.464 -9.151 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.941 -8.987 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.193 -11.063 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.250 -12.416 -8.910 1.00 0.00 H new ATOM 529 N PHE A 34 7.033 -5.679 -9.089 1.00 0.00 N ATOM 530 CA PHE A 34 6.283 -4.878 -10.049 1.00 0.00 C ATOM 531 C PHE A 34 6.961 -3.533 -10.291 1.00 0.00 C ATOM 532 O PHE A 34 6.888 -2.981 -11.389 1.00 0.00 O ATOM 533 CB PHE A 34 4.852 -4.660 -9.555 1.00 0.00 C ATOM 534 CG PHE A 34 3.894 -5.728 -10.004 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.483 -5.797 -11.325 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.408 -6.662 -9.105 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.603 -6.779 -11.742 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.528 -7.647 -9.515 1.00 0.00 C ATOM 539 CZ PHE A 34 2.126 -7.705 -10.835 1.00 0.00 C ATOM 0 H PHE A 34 6.486 -6.000 -8.290 1.00 0.00 H new ATOM 0 HA PHE A 34 6.256 -5.423 -10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.854 -4.619 -8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.497 -3.692 -9.909 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.854 -5.075 -12.038 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.720 -6.621 -8.072 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.289 -6.822 -12.775 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.156 -8.370 -8.804 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.439 -8.474 -11.158 1.00 0.00 H new ATOM 549 N LEU A 35 7.622 -3.006 -9.262 1.00 0.00 N ATOM 550 CA LEU A 35 8.311 -1.722 -9.370 1.00 0.00 C ATOM 551 C LEU A 35 9.560 -1.836 -10.241 1.00 0.00 C ATOM 552 O LEU A 35 10.077 -0.834 -10.735 1.00 0.00 O ATOM 553 CB LEU A 35 8.693 -1.206 -7.981 1.00 0.00 C ATOM 554 CG LEU A 35 7.530 -0.666 -7.147 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.645 -1.134 -5.704 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.488 0.853 -7.214 1.00 0.00 C ATOM 0 H LEU A 35 7.695 -3.448 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 35 7.628 -1.016 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.171 -2.015 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.435 -0.416 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 35 6.600 -1.055 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.809 -0.740 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.627 -2.223 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.582 -0.774 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.655 1.221 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.421 1.260 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.358 1.168 -8.249 1.00 0.00 H new ATOM 568 N ASP A 36 10.037 -3.062 -10.425 1.00 0.00 N ATOM 569 CA ASP A 36 11.227 -3.307 -11.236 1.00 0.00 C ATOM 570 C ASP A 36 10.952 -3.009 -12.706 1.00 0.00 C ATOM 571 O ASP A 36 11.871 -2.961 -13.524 1.00 0.00 O ATOM 572 CB ASP A 36 11.697 -4.754 -11.073 1.00 0.00 C ATOM 573 CG ASP A 36 13.089 -4.976 -11.631 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.068 -4.784 -10.878 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.202 -5.342 -12.820 1.00 0.00 O ATOM 0 H ASP A 36 9.619 -3.902 -10.025 1.00 0.00 H new ATOM 0 HA ASP A 36 12.016 -2.639 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.686 -5.020 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.996 -5.420 -11.577 1.00 0.00 H new ATOM 580 N THR A 37 9.679 -2.810 -13.034 1.00 0.00 N ATOM 581 CA THR A 37 9.273 -2.513 -14.400 1.00 0.00 C ATOM 582 C THR A 37 8.503 -1.200 -14.459 1.00 0.00 C ATOM 583 O THR A 37 7.372 -1.111 -13.981 1.00 0.00 O ATOM 584 CB THR A 37 8.398 -3.637 -14.986 1.00 0.00 C ATOM 585 OG1 THR A 37 8.309 -4.724 -14.057 1.00 0.00 O ATOM 586 CG2 THR A 37 8.969 -4.137 -16.304 1.00 0.00 C ATOM 0 H THR A 37 8.908 -2.850 -12.367 1.00 0.00 H new ATOM 0 HA THR A 37 10.183 -2.431 -14.994 1.00 0.00 H new ATOM 0 HB THR A 37 7.402 -3.233 -15.169 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.408 -5.109 -14.089 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.334 -4.930 -16.698 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.008 -3.315 -17.019 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.975 -4.525 -16.141 1.00 0.00 H new ATOM 594 N ASN A 38 9.130 -0.183 -15.038 1.00 0.00 N ATOM 595 CA ASN A 38 8.511 1.133 -15.161 1.00 0.00 C ATOM 596 C ASN A 38 7.461 1.154 -16.269 1.00 0.00 C ATOM 597 O ASN A 38 7.590 1.892 -17.246 1.00 0.00 O ATOM 598 CB ASN A 38 9.579 2.195 -15.433 1.00 0.00 C ATOM 599 CG ASN A 38 9.160 3.572 -14.954 1.00 0.00 C ATOM 600 OD1 ASN A 38 8.621 4.371 -15.719 1.00 0.00 O ATOM 601 ND2 ASN A 38 9.408 3.856 -13.680 1.00 0.00 N ATOM 0 H ASN A 38 10.069 -0.244 -15.431 1.00 0.00 H new ATOM 0 HA ASN A 38 8.011 1.356 -14.218 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.507 1.908 -14.939 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.786 2.233 -16.502 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.149 4.767 -13.301 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.857 3.163 -13.081 1.00 0.00 H new ATOM 608 N GLU A 39 6.422 0.341 -16.110 1.00 0.00 N ATOM 609 CA GLU A 39 5.345 0.272 -17.092 1.00 0.00 C ATOM 610 C GLU A 39 4.009 0.629 -16.448 1.00 0.00 C ATOM 611 O GLU A 39 3.873 0.602 -15.225 1.00 0.00 O ATOM 612 CB GLU A 39 5.275 -1.128 -17.706 1.00 0.00 C ATOM 613 CG GLU A 39 6.405 -1.423 -18.678 1.00 0.00 C ATOM 614 CD GLU A 39 6.061 -1.042 -20.105 1.00 0.00 C ATOM 615 OE1 GLU A 39 5.447 -1.870 -20.809 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.406 0.085 -20.518 1.00 0.00 O ATOM 0 H GLU A 39 6.303 -0.280 -15.310 1.00 0.00 H new ATOM 0 HA GLU A 39 5.554 0.993 -17.882 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.293 -1.868 -16.906 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.323 -1.241 -18.224 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.298 -0.881 -18.366 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.646 -2.485 -18.637 1.00 0.00 H new ATOM 623 N THR A 40 3.027 0.965 -17.277 1.00 0.00 N ATOM 624 CA THR A 40 1.703 1.332 -16.785 1.00 0.00 C ATOM 625 C THR A 40 0.937 0.118 -16.250 1.00 0.00 C ATOM 626 O THR A 40 0.393 0.169 -15.148 1.00 0.00 O ATOM 627 CB THR A 40 0.864 2.024 -17.878 1.00 0.00 C ATOM 628 OG1 THR A 40 1.621 3.079 -18.484 1.00 0.00 O ATOM 629 CG2 THR A 40 -0.424 2.591 -17.296 1.00 0.00 C ATOM 0 H THR A 40 3.122 0.991 -18.292 1.00 0.00 H new ATOM 0 HA THR A 40 1.864 2.032 -15.965 1.00 0.00 H new ATOM 0 HB THR A 40 0.608 1.280 -18.632 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.081 3.512 -19.178 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.999 3.074 -18.086 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.013 1.784 -16.861 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.184 3.322 -16.524 1.00 0.00 H new ATOM 637 N PRO A 41 0.878 -0.994 -17.016 1.00 0.00 N ATOM 638 CA PRO A 41 0.163 -2.204 -16.586 1.00 0.00 C ATOM 639 C PRO A 41 0.759 -2.813 -15.320 1.00 0.00 C ATOM 640 O PRO A 41 0.094 -3.569 -14.613 1.00 0.00 O ATOM 641 CB PRO A 41 0.327 -3.169 -17.768 1.00 0.00 C ATOM 642 CG PRO A 41 0.713 -2.313 -18.924 1.00 0.00 C ATOM 643 CD PRO A 41 1.490 -1.168 -18.345 1.00 0.00 C ATOM 0 HA PRO A 41 -0.877 -1.988 -16.340 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.091 -3.918 -17.561 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.600 -3.706 -17.969 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.316 -2.872 -19.640 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.168 -1.957 -19.458 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.553 -1.397 -18.273 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.398 -0.268 -18.953 1.00 0.00 H new ATOM 651 N TYR A 42 2.015 -2.478 -15.041 1.00 0.00 N ATOM 652 CA TYR A 42 2.700 -2.995 -13.861 1.00 0.00 C ATOM 653 C TYR A 42 2.417 -2.128 -12.640 1.00 0.00 C ATOM 654 O TYR A 42 2.021 -2.633 -11.589 1.00 0.00 O ATOM 655 CB TYR A 42 4.207 -3.073 -14.113 1.00 0.00 C ATOM 656 CG TYR A 42 4.618 -4.255 -14.962 1.00 0.00 C ATOM 657 CD1 TYR A 42 4.385 -4.268 -16.331 1.00 0.00 C ATOM 658 CD2 TYR A 42 5.239 -5.360 -14.394 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.758 -5.346 -17.110 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.616 -6.444 -15.166 1.00 0.00 C ATOM 661 CZ TYR A 42 5.373 -6.432 -16.523 1.00 0.00 C ATOM 662 OH TYR A 42 5.746 -7.508 -17.295 1.00 0.00 O ATOM 0 H TYR A 42 2.579 -1.851 -15.615 1.00 0.00 H new ATOM 0 HA TYR A 42 2.321 -3.998 -13.663 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.533 -2.155 -14.601 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.725 -3.126 -13.155 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.903 -3.420 -16.795 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.431 -5.373 -13.331 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.569 -5.338 -18.173 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.098 -7.295 -14.708 1.00 0.00 H new ATOM 0 HH TYR A 42 6.167 -8.187 -16.728 1.00 0.00 H new ATOM 672 N PHE A 43 2.621 -0.821 -12.782 1.00 0.00 N ATOM 673 CA PHE A 43 2.380 0.106 -11.684 1.00 0.00 C ATOM 674 C PHE A 43 0.904 0.112 -11.302 1.00 0.00 C ATOM 675 O PHE A 43 0.551 0.374 -10.152 1.00 0.00 O ATOM 676 CB PHE A 43 2.835 1.518 -12.061 1.00 0.00 C ATOM 677 CG PHE A 43 4.237 1.829 -11.625 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.528 2.046 -10.288 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.266 1.903 -12.551 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.818 2.331 -9.882 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.558 2.188 -12.150 1.00 0.00 C ATOM 682 CZ PHE A 43 6.834 2.402 -10.814 1.00 0.00 C ATOM 0 H PHE A 43 2.951 -0.383 -13.642 1.00 0.00 H new ATOM 0 HA PHE A 43 2.960 -0.227 -10.824 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.764 1.638 -13.142 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.154 2.243 -11.614 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.737 1.992 -9.554 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.056 1.736 -13.597 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.031 2.498 -8.836 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.351 2.243 -12.881 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.843 2.624 -10.499 1.00 0.00 H new ATOM 692 N MET A 44 0.046 -0.182 -12.276 1.00 0.00 N ATOM 693 CA MET A 44 -1.391 -0.224 -12.038 1.00 0.00 C ATOM 694 C MET A 44 -1.720 -1.293 -11.002 1.00 0.00 C ATOM 695 O MET A 44 -2.743 -1.222 -10.320 1.00 0.00 O ATOM 696 CB MET A 44 -2.140 -0.508 -13.341 1.00 0.00 C ATOM 697 CG MET A 44 -2.540 0.747 -14.098 1.00 0.00 C ATOM 698 SD MET A 44 -4.059 0.533 -15.046 1.00 0.00 S ATOM 699 CE MET A 44 -4.402 2.226 -15.519 1.00 0.00 C ATOM 0 H MET A 44 0.322 -0.394 -13.235 1.00 0.00 H new ATOM 0 HA MET A 44 -1.709 0.747 -11.658 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.513 -1.126 -13.984 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.035 -1.088 -13.117 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.670 1.567 -13.391 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.733 1.032 -14.772 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.315 2.260 -16.113 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.528 2.835 -14.624 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.571 2.615 -16.108 1.00 0.00 H new ATOM 709 N LYS A 45 -0.838 -2.282 -10.894 1.00 0.00 N ATOM 710 CA LYS A 45 -1.018 -3.368 -9.940 1.00 0.00 C ATOM 711 C LYS A 45 -0.655 -2.899 -8.535 1.00 0.00 C ATOM 712 O LYS A 45 -1.456 -3.014 -7.608 1.00 0.00 O ATOM 713 CB LYS A 45 -0.158 -4.568 -10.340 1.00 0.00 C ATOM 714 CG LYS A 45 -0.715 -5.899 -9.863 1.00 0.00 C ATOM 715 CD LYS A 45 -1.323 -6.688 -11.012 1.00 0.00 C ATOM 716 CE LYS A 45 -2.410 -7.632 -10.527 1.00 0.00 C ATOM 717 NZ LYS A 45 -3.301 -8.069 -11.636 1.00 0.00 N ATOM 0 H LYS A 45 0.010 -2.353 -11.457 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.065 -3.672 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.063 -4.591 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.845 -4.437 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.080 -6.483 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.472 -5.726 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.739 -5.999 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.543 -7.258 -11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.952 -8.506 -10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.003 -7.138 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.847 -8.902 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.954 -7.297 -11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.726 -8.314 -12.467 1.00 0.00 H new ATOM 731 N SER A 46 0.567 -2.386 -8.388 1.00 0.00 N ATOM 732 CA SER A 46 1.030 -1.873 -7.101 1.00 0.00 C ATOM 733 C SER A 46 -0.061 -1.048 -6.427 1.00 0.00 C ATOM 734 O SER A 46 -0.353 -1.246 -5.250 1.00 0.00 O ATOM 735 CB SER A 46 2.289 -1.023 -7.289 1.00 0.00 C ATOM 736 OG SER A 46 2.547 -0.792 -8.662 1.00 0.00 O ATOM 0 H SER A 46 1.251 -2.315 -9.142 1.00 0.00 H new ATOM 0 HA SER A 46 1.269 -2.722 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.169 -0.070 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.143 -1.526 -6.835 1.00 0.00 H new ATOM 0 HG SER A 46 1.809 -0.278 -9.052 1.00 0.00 H new ATOM 742 N ILE A 47 -0.647 -0.113 -7.167 1.00 0.00 N ATOM 743 CA ILE A 47 -1.729 0.706 -6.630 1.00 0.00 C ATOM 744 C ILE A 47 -2.850 -0.183 -6.100 1.00 0.00 C ATOM 745 O ILE A 47 -3.322 -0.009 -4.973 1.00 0.00 O ATOM 746 CB ILE A 47 -2.307 1.658 -7.693 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.182 2.419 -8.397 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.293 2.628 -7.056 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.639 3.155 -9.638 1.00 0.00 C ATOM 0 H ILE A 47 -0.394 0.096 -8.133 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.309 1.304 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.839 1.066 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.745 3.134 -7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.394 1.717 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.693 3.294 -7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.109 2.069 -6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.783 3.216 -6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.791 3.673 -10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.049 2.442 -10.353 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.406 3.881 -9.369 1.00 0.00 H new ATOM 761 N ASP A 48 -3.268 -1.143 -6.922 1.00 0.00 N ATOM 762 CA ASP A 48 -4.326 -2.072 -6.540 1.00 0.00 C ATOM 763 C ASP A 48 -3.867 -2.948 -5.382 1.00 0.00 C ATOM 764 O ASP A 48 -4.679 -3.550 -4.676 1.00 0.00 O ATOM 765 CB ASP A 48 -4.723 -2.946 -7.732 1.00 0.00 C ATOM 766 CG ASP A 48 -5.841 -2.333 -8.553 1.00 0.00 C ATOM 767 OD1 ASP A 48 -5.542 -1.500 -9.434 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.015 -2.686 -8.314 1.00 0.00 O ATOM 0 H ASP A 48 -2.889 -1.297 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.195 -1.495 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.853 -3.103 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.036 -3.926 -7.372 1.00 0.00 H new ATOM 773 N CYS A 49 -2.552 -3.011 -5.195 1.00 0.00 N ATOM 774 CA CYS A 49 -1.965 -3.801 -4.124 1.00 0.00 C ATOM 775 C CYS A 49 -2.011 -3.024 -2.816 1.00 0.00 C ATOM 776 O CYS A 49 -2.428 -3.553 -1.783 1.00 0.00 O ATOM 777 CB CYS A 49 -0.521 -4.182 -4.461 1.00 0.00 C ATOM 778 SG CYS A 49 -0.359 -5.745 -5.354 1.00 0.00 S ATOM 0 H CYS A 49 -1.872 -2.521 -5.776 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.545 -4.717 -4.013 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.077 -3.386 -5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.053 -4.243 -3.536 1.00 0.00 H new ATOM 0 HG CYS A 49 0.897 -5.979 -5.595 1.00 0.00 H new ATOM 784 N ILE A 50 -1.583 -1.762 -2.865 1.00 0.00 N ATOM 785 CA ILE A 50 -1.587 -0.904 -1.687 1.00 0.00 C ATOM 786 C ILE A 50 -3.014 -0.724 -1.186 1.00 0.00 C ATOM 787 O ILE A 50 -3.245 -0.427 -0.016 1.00 0.00 O ATOM 788 CB ILE A 50 -0.956 0.478 -2.004 1.00 0.00 C ATOM 789 CG1 ILE A 50 0.254 0.738 -1.104 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.974 1.602 -1.862 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.292 1.640 -1.735 1.00 0.00 C ATOM 0 H ILE A 50 -1.229 -1.314 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.988 -1.381 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.623 0.458 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.087 1.187 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.719 -0.214 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.498 2.555 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.800 1.434 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.353 1.622 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.121 1.781 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.661 1.183 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.843 2.606 -1.965 1.00 0.00 H new ATOM 803 N ARG A 51 -3.962 -0.920 -2.095 1.00 0.00 N ATOM 804 CA ARG A 51 -5.375 -0.789 -1.775 1.00 0.00 C ATOM 805 C ARG A 51 -5.862 -2.017 -1.018 1.00 0.00 C ATOM 806 O ARG A 51 -6.415 -1.909 0.076 1.00 0.00 O ATOM 807 CB ARG A 51 -6.195 -0.611 -3.053 1.00 0.00 C ATOM 808 CG ARG A 51 -6.096 0.781 -3.653 1.00 0.00 C ATOM 809 CD ARG A 51 -7.449 1.271 -4.144 1.00 0.00 C ATOM 810 NE ARG A 51 -7.559 1.210 -5.598 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.682 1.459 -6.266 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.788 1.786 -5.611 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.699 1.382 -7.590 1.00 0.00 N ATOM 0 H ARG A 51 -3.774 -1.172 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.505 0.091 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.863 -1.340 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.241 -0.830 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.705 1.473 -2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.388 0.772 -4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.238 0.667 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.605 2.297 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.727 0.962 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.779 1.847 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.648 1.977 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.850 1.132 -8.097 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.561 1.573 -8.101 1.00 0.00 H new ATOM 827 N ALA A 52 -5.649 -3.185 -1.615 1.00 0.00 N ATOM 828 CA ALA A 52 -6.064 -4.440 -0.999 1.00 0.00 C ATOM 829 C ALA A 52 -5.380 -4.647 0.350 1.00 0.00 C ATOM 830 O ALA A 52 -5.959 -5.231 1.267 1.00 0.00 O ATOM 831 CB ALA A 52 -5.767 -5.607 -1.928 1.00 0.00 C ATOM 0 H ALA A 52 -5.193 -3.289 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.139 -4.391 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.082 -6.537 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.309 -5.474 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.697 -5.647 -2.131 1.00 0.00 H new ATOM 837 N PHE A 53 -4.148 -4.163 0.461 1.00 0.00 N ATOM 838 CA PHE A 53 -3.377 -4.300 1.693 1.00 0.00 C ATOM 839 C PHE A 53 -3.844 -3.319 2.768 1.00 0.00 C ATOM 840 O PHE A 53 -4.195 -3.725 3.877 1.00 0.00 O ATOM 841 CB PHE A 53 -1.890 -4.088 1.406 1.00 0.00 C ATOM 842 CG PHE A 53 -0.981 -4.821 2.353 1.00 0.00 C ATOM 843 CD1 PHE A 53 -0.934 -4.480 3.696 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.170 -5.848 1.898 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.097 -5.151 4.567 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.670 -6.523 2.764 1.00 0.00 C ATOM 847 CZ PHE A 53 0.706 -6.173 4.100 1.00 0.00 C ATOM 0 H PHE A 53 -3.660 -3.671 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.537 -5.309 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.676 -4.412 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.668 -3.022 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.559 -3.681 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.194 -6.125 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.071 -4.877 5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.297 -7.322 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.362 -6.698 4.779 1.00 0.00 H new ATOM 857 N ARG A 54 -3.840 -2.029 2.440 1.00 0.00 N ATOM 858 CA ARG A 54 -4.252 -0.999 3.392 1.00 0.00 C ATOM 859 C ARG A 54 -5.651 -1.268 3.938 1.00 0.00 C ATOM 860 O ARG A 54 -5.951 -0.930 5.082 1.00 0.00 O ATOM 861 CB ARG A 54 -4.201 0.388 2.750 1.00 0.00 C ATOM 862 CG ARG A 54 -5.314 0.646 1.753 1.00 0.00 C ATOM 863 CD ARG A 54 -6.223 1.775 2.211 1.00 0.00 C ATOM 864 NE ARG A 54 -7.046 2.291 1.121 1.00 0.00 N ATOM 865 CZ ARG A 54 -8.215 2.898 1.303 1.00 0.00 C ATOM 866 NH1 ARG A 54 -8.697 3.062 2.527 1.00 0.00 N ATOM 867 NH2 ARG A 54 -8.903 3.342 0.260 1.00 0.00 N ATOM 0 H ARG A 54 -3.558 -1.673 1.527 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.549 -1.029 4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.248 1.143 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.241 0.510 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.884 0.895 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.901 -0.263 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.868 1.418 3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.618 2.583 2.623 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.705 2.180 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.171 2.722 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.594 3.528 2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.536 3.218 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.800 3.807 0.401 1.00 0.00 H new ATOM 881 N GLU A 55 -6.501 -1.878 3.119 1.00 0.00 N ATOM 882 CA GLU A 55 -7.867 -2.183 3.527 1.00 0.00 C ATOM 883 C GLU A 55 -7.899 -3.328 4.535 1.00 0.00 C ATOM 884 O GLU A 55 -8.452 -3.190 5.629 1.00 0.00 O ATOM 885 CB GLU A 55 -8.720 -2.541 2.307 1.00 0.00 C ATOM 886 CG GLU A 55 -10.212 -2.361 2.535 1.00 0.00 C ATOM 887 CD GLU A 55 -11.028 -2.614 1.282 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.830 -1.884 0.288 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.863 -3.543 1.294 1.00 0.00 O ATOM 0 H GLU A 55 -6.268 -2.171 2.170 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.279 -1.294 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.412 -1.922 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.526 -3.577 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.540 -3.041 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.402 -1.348 2.890 1.00 0.00 H new ATOM 896 N GLU A 56 -7.295 -4.453 4.165 1.00 0.00 N ATOM 897 CA GLU A 56 -7.260 -5.624 5.037 1.00 0.00 C ATOM 898 C GLU A 56 -6.477 -5.330 6.312 1.00 0.00 C ATOM 899 O GLU A 56 -6.645 -6.009 7.328 1.00 0.00 O ATOM 900 CB GLU A 56 -6.635 -6.813 4.305 1.00 0.00 C ATOM 901 CG GLU A 56 -7.522 -7.393 3.215 1.00 0.00 C ATOM 902 CD GLU A 56 -8.005 -8.793 3.543 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.230 -9.751 3.338 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.158 -8.930 4.003 1.00 0.00 O ATOM 0 H GLU A 56 -6.824 -4.579 3.269 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.286 -5.872 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.689 -6.500 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.406 -7.595 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.383 -6.741 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.971 -7.413 2.275 1.00 0.00 H new ATOM 911 N ALA A 57 -5.629 -4.307 6.254 1.00 0.00 N ATOM 912 CA ALA A 57 -4.812 -3.924 7.398 1.00 0.00 C ATOM 913 C ALA A 57 -5.586 -3.019 8.347 1.00 0.00 C ATOM 914 O ALA A 57 -5.788 -3.358 9.517 1.00 0.00 O ATOM 915 CB ALA A 57 -3.542 -3.233 6.925 1.00 0.00 C ATOM 0 H ALA A 57 -5.491 -3.729 5.425 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.542 -4.829 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.938 -2.951 7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.973 -3.912 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.803 -2.340 6.357 1.00 0.00 H new ATOM 921 N ILE A 58 -6.021 -1.867 7.843 1.00 0.00 N ATOM 922 CA ILE A 58 -6.771 -0.922 8.662 1.00 0.00 C ATOM 923 C ILE A 58 -8.019 -1.583 9.225 1.00 0.00 C ATOM 924 O ILE A 58 -8.414 -1.323 10.362 1.00 0.00 O ATOM 925 CB ILE A 58 -7.175 0.342 7.875 1.00 0.00 C ATOM 926 CG1 ILE A 58 -8.132 -0.011 6.735 1.00 0.00 C ATOM 927 CG2 ILE A 58 -5.938 1.048 7.339 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.542 0.499 6.949 1.00 0.00 C ATOM 0 H ILE A 58 -5.868 -1.568 6.880 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.112 -0.617 9.475 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.694 1.019 8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.743 0.401 5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.160 -1.094 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.238 1.938 6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.295 1.337 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.394 0.375 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.165 0.212 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.950 0.067 7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.527 1.585 7.037 1.00 0.00 H new ATOM 940 N LYS A 59 -8.637 -2.438 8.416 1.00 0.00 N ATOM 941 CA LYS A 59 -9.832 -3.154 8.833 1.00 0.00 C ATOM 942 C LYS A 59 -9.606 -3.831 10.179 1.00 0.00 C ATOM 943 O LYS A 59 -10.351 -3.589 11.129 1.00 0.00 O ATOM 944 CB LYS A 59 -10.229 -4.191 7.779 1.00 0.00 C ATOM 945 CG LYS A 59 -11.259 -3.684 6.784 1.00 0.00 C ATOM 946 CD LYS A 59 -12.122 -4.816 6.251 1.00 0.00 C ATOM 947 CE LYS A 59 -13.430 -4.297 5.678 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.031 -5.256 4.709 1.00 0.00 N ATOM 0 H LYS A 59 -8.328 -2.650 7.468 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.644 -2.435 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.337 -4.506 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.625 -5.074 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.892 -2.937 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.753 -3.189 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.576 -5.359 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.330 -5.524 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.134 -4.112 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.256 -3.342 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.922 -4.865 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.370 -5.414 3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.221 -6.160 5.187 1.00 0.00 H new ATOM 962 N PHE A 60 -8.568 -4.669 10.262 1.00 0.00 N ATOM 963 CA PHE A 60 -8.253 -5.367 11.510 1.00 0.00 C ATOM 964 C PHE A 60 -7.049 -6.289 11.341 1.00 0.00 C ATOM 965 O PHE A 60 -7.167 -7.510 11.418 1.00 0.00 O ATOM 966 CB PHE A 60 -9.466 -6.159 12.034 1.00 0.00 C ATOM 967 CG PHE A 60 -10.036 -7.167 11.067 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.851 -6.765 10.021 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.765 -8.519 11.215 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.380 -7.689 9.141 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.292 -9.448 10.338 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.100 -9.032 9.299 1.00 0.00 C ATOM 0 H PHE A 60 -7.938 -4.878 9.488 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.000 -4.606 12.249 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.175 -6.678 12.947 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.252 -5.454 12.305 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.075 -5.716 9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.134 -8.850 12.026 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.013 -7.361 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.072 -10.498 10.465 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.512 -9.755 8.611 1.00 0.00 H new ATOM 982 N SER A 61 -5.881 -5.696 11.122 1.00 0.00 N ATOM 983 CA SER A 61 -4.664 -6.478 10.947 1.00 0.00 C ATOM 984 C SER A 61 -3.418 -5.644 11.230 1.00 0.00 C ATOM 985 O SER A 61 -3.168 -5.259 12.372 1.00 0.00 O ATOM 986 CB SER A 61 -4.609 -7.063 9.534 1.00 0.00 C ATOM 987 OG SER A 61 -5.372 -8.254 9.445 1.00 0.00 O ATOM 0 H SER A 61 -5.752 -4.686 11.062 1.00 0.00 H new ATOM 0 HA SER A 61 -4.684 -7.296 11.668 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.986 -6.332 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.574 -7.269 9.263 1.00 0.00 H new ATOM 0 HG SER A 61 -6.099 -8.226 10.101 1.00 0.00 H new ATOM 993 N GLU A 62 -2.641 -5.367 10.190 1.00 0.00 N ATOM 994 CA GLU A 62 -1.413 -4.596 10.342 1.00 0.00 C ATOM 995 C GLU A 62 -1.589 -3.170 9.838 1.00 0.00 C ATOM 996 O GLU A 62 -1.172 -2.836 8.728 1.00 0.00 O ATOM 997 CB GLU A 62 -0.263 -5.274 9.595 1.00 0.00 C ATOM 998 CG GLU A 62 -0.251 -6.787 9.736 1.00 0.00 C ATOM 999 CD GLU A 62 0.535 -7.255 10.944 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -0.012 -7.201 12.066 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.698 -7.674 10.770 1.00 0.00 O ATOM 0 H GLU A 62 -2.839 -5.664 9.234 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.176 -4.555 11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.327 -5.017 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.683 -4.876 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.276 -7.149 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.177 -7.228 8.836 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.203 -2.329 10.661 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.425 -0.933 10.297 1.00 0.00 C ATOM 1010 C GLU A 63 -1.157 -0.109 10.515 1.00 0.00 C ATOM 1011 O GLU A 63 -0.768 0.687 9.659 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.581 -0.343 11.109 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.566 -0.746 12.575 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.436 -1.956 12.855 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.593 -1.977 12.387 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -3.959 -2.883 13.545 1.00 0.00 O ATOM 0 H GLU A 63 -2.556 -2.587 11.583 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.685 -0.897 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.544 0.744 11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.524 -0.659 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.542 -0.961 12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.909 0.092 13.182 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.510 -0.316 11.660 1.00 0.00 N ATOM 1024 CA GLN A 64 0.713 0.411 11.995 1.00 0.00 C ATOM 1025 C GLN A 64 1.855 0.000 11.073 1.00 0.00 C ATOM 1026 O GLN A 64 2.807 0.756 10.865 1.00 0.00 O ATOM 1027 CB GLN A 64 1.097 0.160 13.454 1.00 0.00 C ATOM 1028 CG GLN A 64 0.163 0.827 14.450 1.00 0.00 C ATOM 1029 CD GLN A 64 0.603 0.629 15.887 1.00 0.00 C ATOM 1030 OE1 GLN A 64 0.304 -0.393 16.505 1.00 0.00 O ATOM 1031 NE2 GLN A 64 1.317 1.609 16.428 1.00 0.00 N ATOM 0 H GLN A 64 -0.812 -0.981 12.372 1.00 0.00 H new ATOM 0 HA GLN A 64 0.526 1.476 11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.106 -0.914 13.639 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.112 0.521 13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.110 1.894 14.234 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.843 0.426 14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.542 2.439 15.879 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.640 1.532 17.392 1.00 0.00 H new ATOM 1040 N ARG A 65 1.755 -1.204 10.523 1.00 0.00 N ATOM 1041 CA ARG A 65 2.771 -1.708 9.612 1.00 0.00 C ATOM 1042 C ARG A 65 2.664 -0.986 8.274 1.00 0.00 C ATOM 1043 O ARG A 65 3.619 -0.946 7.493 1.00 0.00 O ATOM 1044 CB ARG A 65 2.610 -3.217 9.414 1.00 0.00 C ATOM 1045 CG ARG A 65 3.516 -3.792 8.340 1.00 0.00 C ATOM 1046 CD ARG A 65 3.289 -5.284 8.160 1.00 0.00 C ATOM 1047 NE ARG A 65 4.540 -6.035 8.191 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.851 -6.989 7.319 1.00 0.00 C ATOM 1049 NH1 ARG A 65 4.004 -7.309 6.351 1.00 0.00 N ATOM 1050 NH2 ARG A 65 6.010 -7.626 7.416 1.00 0.00 N ATOM 0 H ARG A 65 0.982 -1.847 10.692 1.00 0.00 H new ATOM 0 HA ARG A 65 3.755 -1.521 10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.814 -3.722 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.573 -3.432 9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.334 -3.279 7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.557 -3.611 8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.628 -5.648 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.783 -5.462 7.211 1.00 0.00 H new ATOM 0 HE ARG A 65 5.215 -5.815 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.111 -6.823 6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.246 -8.041 5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.664 -7.384 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.247 -8.358 6.746 1.00 0.00 H new ATOM 1064 N PHE A 66 1.496 -0.396 8.030 1.00 0.00 N ATOM 1065 CA PHE A 66 1.255 0.329 6.792 1.00 0.00 C ATOM 1066 C PHE A 66 1.710 1.775 6.924 1.00 0.00 C ATOM 1067 O PHE A 66 2.352 2.307 6.024 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.220 0.273 6.399 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.418 0.175 4.914 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.373 -1.053 4.278 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.639 1.312 4.154 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.546 -1.147 2.910 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -0.811 1.226 2.787 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.765 -0.006 2.164 1.00 0.00 C ATOM 0 H PHE A 66 0.705 -0.408 8.674 1.00 0.00 H new ATOM 0 HA PHE A 66 1.835 -0.152 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.689 -0.585 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.726 1.164 6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.201 -1.948 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.677 2.277 4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.510 -2.111 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.981 2.120 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.900 -0.077 1.095 1.00 0.00 H new ATOM 1084 N ASN A 67 1.371 2.414 8.045 1.00 0.00 N ATOM 1085 CA ASN A 67 1.791 3.791 8.267 1.00 0.00 C ATOM 1086 C ASN A 67 3.306 3.826 8.397 1.00 0.00 C ATOM 1087 O ASN A 67 3.940 4.873 8.250 1.00 0.00 O ATOM 1088 CB ASN A 67 1.131 4.399 9.511 1.00 0.00 C ATOM 1089 CG ASN A 67 0.814 3.389 10.581 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.691 3.000 11.352 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.446 2.976 10.649 1.00 0.00 N ATOM 0 H ASN A 67 0.817 2.006 8.798 1.00 0.00 H new ATOM 0 HA ASN A 67 1.473 4.393 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.791 5.161 9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.211 4.902 9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.725 2.305 11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.135 3.330 9.985 1.00 0.00 H new ATOM 1098 N ASN A 68 3.877 2.655 8.670 1.00 0.00 N ATOM 1099 CA ASN A 68 5.322 2.523 8.798 1.00 0.00 C ATOM 1100 C ASN A 68 5.953 2.469 7.411 1.00 0.00 C ATOM 1101 O ASN A 68 6.810 3.287 7.069 1.00 0.00 O ATOM 1102 CB ASN A 68 5.677 1.262 9.588 1.00 0.00 C ATOM 1103 CG ASN A 68 7.171 1.120 9.809 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.730 1.699 10.741 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.826 0.346 8.951 1.00 0.00 N ATOM 0 H ASN A 68 3.360 1.786 8.806 1.00 0.00 H new ATOM 0 HA ASN A 68 5.711 3.386 9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.170 1.286 10.553 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.306 0.386 9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.832 0.212 9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.323 -0.115 8.193 1.00 0.00 H new ATOM 1112 N PHE A 69 5.521 1.491 6.619 1.00 0.00 N ATOM 1113 CA PHE A 69 6.016 1.331 5.255 1.00 0.00 C ATOM 1114 C PHE A 69 5.674 2.554 4.409 1.00 0.00 C ATOM 1115 O PHE A 69 6.429 2.933 3.514 1.00 0.00 O ATOM 1116 CB PHE A 69 5.420 0.073 4.620 1.00 0.00 C ATOM 1117 CG PHE A 69 6.221 -0.456 3.464 1.00 0.00 C ATOM 1118 CD1 PHE A 69 5.975 -0.013 2.174 1.00 0.00 C ATOM 1119 CD2 PHE A 69 7.216 -1.398 3.667 1.00 0.00 C ATOM 1120 CE1 PHE A 69 6.708 -0.499 1.109 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.952 -1.888 2.606 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.698 -1.438 1.324 1.00 0.00 C ATOM 0 H PHE A 69 4.828 0.797 6.899 1.00 0.00 H new ATOM 0 HA PHE A 69 7.101 1.230 5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.339 -0.704 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.408 0.293 4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.202 0.720 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.419 -1.753 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.507 -0.145 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.725 -2.622 2.778 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.272 -1.820 0.493 1.00 0.00 H new ATOM 1132 N LEU A 70 4.526 3.161 4.700 1.00 0.00 N ATOM 1133 CA LEU A 70 4.081 4.349 3.976 1.00 0.00 C ATOM 1134 C LEU A 70 5.029 5.510 4.240 1.00 0.00 C ATOM 1135 O LEU A 70 5.432 6.220 3.318 1.00 0.00 O ATOM 1136 CB LEU A 70 2.656 4.744 4.387 1.00 0.00 C ATOM 1137 CG LEU A 70 1.519 4.094 3.586 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.199 4.786 3.889 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.801 4.138 2.091 1.00 0.00 C ATOM 0 H LEU A 70 3.887 2.850 5.432 1.00 0.00 H new ATOM 0 HA LEU A 70 4.082 4.114 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.521 4.495 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.561 5.826 4.301 1.00 0.00 H new ATOM 0 HG LEU A 70 1.452 3.049 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.599 4.315 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.021 4.700 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.269 5.839 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.978 3.670 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.902 5.175 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.725 3.601 1.879 1.00 0.00 H new ATOM 1151 N LYS A 71 5.374 5.703 5.510 1.00 0.00 N ATOM 1152 CA LYS A 71 6.283 6.771 5.901 1.00 0.00 C ATOM 1153 C LYS A 71 7.599 6.657 5.143 1.00 0.00 C ATOM 1154 O LYS A 71 8.112 7.647 4.616 1.00 0.00 O ATOM 1155 CB LYS A 71 6.545 6.720 7.408 1.00 0.00 C ATOM 1156 CG LYS A 71 5.623 7.616 8.219 1.00 0.00 C ATOM 1157 CD LYS A 71 6.052 7.678 9.675 1.00 0.00 C ATOM 1158 CE LYS A 71 5.081 8.500 10.507 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.407 8.444 11.959 1.00 0.00 N ATOM 0 H LYS A 71 5.036 5.132 6.285 1.00 0.00 H new ATOM 0 HA LYS A 71 5.817 7.725 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.434 5.692 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.578 7.010 7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.623 8.620 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.601 7.243 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.115 6.668 10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.049 8.112 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.102 9.536 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.067 8.134 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.722 9.017 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.362 7.458 12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.365 8.817 12.114 1.00 0.00 H new ATOM 1173 N ALA A 72 8.141 5.444 5.089 1.00 0.00 N ATOM 1174 CA ALA A 72 9.400 5.202 4.389 1.00 0.00 C ATOM 1175 C ALA A 72 9.216 5.307 2.879 1.00 0.00 C ATOM 1176 O ALA A 72 10.043 5.896 2.179 1.00 0.00 O ATOM 1177 CB ALA A 72 9.957 3.837 4.763 1.00 0.00 C ATOM 0 H ALA A 72 7.731 4.615 5.520 1.00 0.00 H new ATOM 0 HA ALA A 72 10.112 5.968 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.895 3.670 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.134 3.798 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.241 3.063 4.485 1.00 0.00 H new ATOM 1183 N LEU A 73 8.129 4.725 2.385 1.00 0.00 N ATOM 1184 CA LEU A 73 7.824 4.749 0.960 1.00 0.00 C ATOM 1185 C LEU A 73 7.810 6.180 0.443 1.00 0.00 C ATOM 1186 O LEU A 73 8.465 6.496 -0.547 1.00 0.00 O ATOM 1187 CB LEU A 73 6.471 4.084 0.693 1.00 0.00 C ATOM 1188 CG LEU A 73 6.006 4.119 -0.764 1.00 0.00 C ATOM 1189 CD1 LEU A 73 6.784 3.112 -1.598 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.512 3.844 -0.851 1.00 0.00 C ATOM 0 H LEU A 73 7.442 4.229 2.953 1.00 0.00 H new ATOM 0 HA LEU A 73 8.600 4.193 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.525 3.044 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.716 4.571 1.311 1.00 0.00 H new ATOM 0 HG LEU A 73 6.198 5.115 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.439 3.152 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.847 3.352 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.624 2.110 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.197 3.872 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.298 2.860 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.969 4.603 -0.287 1.00 0.00 H new ATOM 1202 N GLN A 74 7.057 7.038 1.125 1.00 0.00 N ATOM 1203 CA GLN A 74 6.956 8.445 0.750 1.00 0.00 C ATOM 1204 C GLN A 74 8.343 9.042 0.544 1.00 0.00 C ATOM 1205 O GLN A 74 8.602 9.717 -0.456 1.00 0.00 O ATOM 1206 CB GLN A 74 6.203 9.231 1.824 1.00 0.00 C ATOM 1207 CG GLN A 74 5.969 10.689 1.461 1.00 0.00 C ATOM 1208 CD GLN A 74 6.655 11.643 2.420 1.00 0.00 C ATOM 1209 OE1 GLN A 74 7.859 11.880 2.322 1.00 0.00 O ATOM 1210 NE2 GLN A 74 5.888 12.197 3.352 1.00 0.00 N ATOM 0 H GLN A 74 6.505 6.782 1.944 1.00 0.00 H new ATOM 0 HA GLN A 74 6.403 8.511 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.241 8.752 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.764 9.183 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.333 10.871 0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.898 10.892 1.456 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.894 11.971 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.293 12.849 4.024 1.00 0.00 H new ATOM 1219 N GLU A 75 9.233 8.788 1.497 1.00 0.00 N ATOM 1220 CA GLU A 75 10.598 9.289 1.414 1.00 0.00 C ATOM 1221 C GLU A 75 11.327 8.640 0.244 1.00 0.00 C ATOM 1222 O GLU A 75 12.192 9.251 -0.384 1.00 0.00 O ATOM 1223 CB GLU A 75 11.348 9.009 2.717 1.00 0.00 C ATOM 1224 CG GLU A 75 11.657 10.262 3.522 1.00 0.00 C ATOM 1225 CD GLU A 75 12.384 9.957 4.816 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.769 9.338 5.711 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.567 10.337 4.937 1.00 0.00 O ATOM 0 H GLU A 75 9.034 8.239 2.334 1.00 0.00 H new ATOM 0 HA GLU A 75 10.562 10.367 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.754 8.331 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.282 8.496 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.264 10.937 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.727 10.784 3.746 1.00 0.00 H new ATOM 1234 N LYS A 76 10.960 7.395 -0.047 1.00 0.00 N ATOM 1235 CA LYS A 76 11.571 6.652 -1.140 1.00 0.00 C ATOM 1236 C LYS A 76 11.177 7.246 -2.488 1.00 0.00 C ATOM 1237 O LYS A 76 12.012 7.399 -3.373 1.00 0.00 O ATOM 1238 CB LYS A 76 11.162 5.179 -1.076 1.00 0.00 C ATOM 1239 CG LYS A 76 12.208 4.285 -0.430 1.00 0.00 C ATOM 1240 CD LYS A 76 11.680 2.875 -0.214 1.00 0.00 C ATOM 1241 CE LYS A 76 12.481 2.137 0.847 1.00 0.00 C ATOM 1242 NZ LYS A 76 11.952 0.766 1.088 1.00 0.00 N ATOM 0 H LYS A 76 10.241 6.880 0.461 1.00 0.00 H new ATOM 0 HA LYS A 76 12.654 6.724 -1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.229 5.093 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.964 4.821 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.097 4.249 -1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.512 4.711 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.633 2.919 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.721 2.322 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.524 2.074 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.459 2.704 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.525 0.296 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.965 0.826 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.996 0.217 0.206 1.00 0.00 H new ATOM 1256 N VAL A 77 9.903 7.590 -2.640 1.00 0.00 N ATOM 1257 CA VAL A 77 9.428 8.167 -3.896 1.00 0.00 C ATOM 1258 C VAL A 77 10.012 9.566 -4.086 1.00 0.00 C ATOM 1259 O VAL A 77 10.214 10.022 -5.212 1.00 0.00 O ATOM 1260 CB VAL A 77 7.875 8.211 -3.978 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.239 7.958 -2.623 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.379 9.529 -4.551 1.00 0.00 C ATOM 0 H VAL A 77 9.188 7.482 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 77 9.772 7.518 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 77 7.574 7.411 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.154 7.996 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.537 6.975 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.569 8.721 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.290 9.521 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.712 10.350 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.779 9.662 -5.556 1.00 0.00 H new ATOM 1272 N GLU A 78 10.296 10.229 -2.972 1.00 0.00 N ATOM 1273 CA GLU A 78 10.863 11.572 -2.997 1.00 0.00 C ATOM 1274 C GLU A 78 12.345 11.538 -3.361 1.00 0.00 C ATOM 1275 O GLU A 78 12.926 12.559 -3.728 1.00 0.00 O ATOM 1276 CB GLU A 78 10.674 12.254 -1.641 1.00 0.00 C ATOM 1277 CG GLU A 78 9.567 13.295 -1.634 1.00 0.00 C ATOM 1278 CD GLU A 78 9.886 14.480 -0.743 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.622 14.397 0.475 1.00 0.00 O ATOM 1280 OE2 GLU A 78 10.401 15.493 -1.264 1.00 0.00 O ATOM 0 H GLU A 78 10.142 9.856 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 78 10.336 12.144 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.453 11.496 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.610 12.729 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.397 13.646 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.640 12.831 -1.298 1.00 0.00 H new ATOM 1287 N ILE A 79 12.951 10.359 -3.254 1.00 0.00 N ATOM 1288 CA ILE A 79 14.375 10.211 -3.554 1.00 0.00 C ATOM 1289 C ILE A 79 14.651 9.205 -4.676 1.00 0.00 C ATOM 1290 O ILE A 79 15.220 9.562 -5.707 1.00 0.00 O ATOM 1291 CB ILE A 79 15.153 9.786 -2.298 1.00 0.00 C ATOM 1292 CG1 ILE A 79 14.843 10.743 -1.146 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.648 9.751 -2.582 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.044 10.131 0.222 1.00 0.00 C ATOM 0 H ILE A 79 12.485 9.499 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 79 14.713 11.190 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 79 14.841 8.782 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.477 11.625 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.811 11.082 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.182 9.448 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.850 9.038 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.984 10.742 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.805 10.868 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.390 9.266 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.082 9.817 0.331 1.00 0.00 H new ATOM 1306 N LYS A 80 14.252 7.955 -4.459 1.00 0.00 N ATOM 1307 CA LYS A 80 14.473 6.877 -5.426 1.00 0.00 C ATOM 1308 C LYS A 80 14.352 7.340 -6.879 1.00 0.00 C ATOM 1309 O LYS A 80 15.361 7.441 -7.577 1.00 0.00 O ATOM 1310 CB LYS A 80 13.498 5.729 -5.169 1.00 0.00 C ATOM 1311 CG LYS A 80 14.042 4.369 -5.575 1.00 0.00 C ATOM 1312 CD LYS A 80 13.382 3.247 -4.791 1.00 0.00 C ATOM 1313 CE LYS A 80 14.247 1.998 -4.769 1.00 0.00 C ATOM 1314 NZ LYS A 80 13.612 0.896 -3.995 1.00 0.00 N ATOM 0 H LYS A 80 13.768 7.658 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 80 15.499 6.538 -5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.245 5.708 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.573 5.919 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.878 4.214 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.119 4.344 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.193 3.578 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.414 3.013 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.430 1.665 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.217 2.236 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.234 0.062 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.460 1.204 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.698 0.651 -4.426 1.00 0.00 H new ATOM 1328 N GLN A 81 13.122 7.647 -7.316 1.00 0.00 N ATOM 1329 CA GLN A 81 12.863 8.066 -8.699 1.00 0.00 C ATOM 1330 C GLN A 81 11.392 7.883 -9.056 1.00 0.00 C ATOM 1331 O GLN A 81 10.893 8.503 -9.995 1.00 0.00 O ATOM 1332 CB GLN A 81 13.716 7.271 -9.692 1.00 0.00 C ATOM 1333 CG GLN A 81 14.758 8.116 -10.406 1.00 0.00 C ATOM 1334 CD GLN A 81 14.270 8.635 -11.744 1.00 0.00 C ATOM 1335 OE1 GLN A 81 14.040 7.864 -12.675 1.00 0.00 O ATOM 1336 NE2 GLN A 81 14.110 9.950 -11.847 1.00 0.00 N ATOM 0 H GLN A 81 12.289 7.612 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 81 13.127 9.121 -8.767 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.217 6.461 -9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 81 13.063 6.810 -10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.034 8.959 -9.772 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.660 7.523 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.313 10.552 -11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.784 10.357 -12.724 1.00 0.00 H new ATOM 1345 N LEU A 82 10.708 7.010 -8.318 1.00 0.00 N ATOM 1346 CA LEU A 82 9.291 6.744 -8.559 1.00 0.00 C ATOM 1347 C LEU A 82 8.422 7.894 -8.058 1.00 0.00 C ATOM 1348 O LEU A 82 7.371 7.678 -7.455 1.00 0.00 O ATOM 1349 CB LEU A 82 8.873 5.437 -7.882 1.00 0.00 C ATOM 1350 CG LEU A 82 9.109 5.385 -6.372 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.849 4.930 -5.652 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.273 4.461 -6.048 1.00 0.00 C ATOM 0 H LEU A 82 11.112 6.475 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 82 9.145 6.650 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.813 5.269 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.416 4.615 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 82 9.359 6.388 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.035 4.899 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.039 5.629 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.569 3.936 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.428 4.435 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.051 3.456 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.176 4.829 -6.535 1.00 0.00 H new ATOM 1364 N ASN A 83 8.870 9.116 -8.318 1.00 0.00 N ATOM 1365 CA ASN A 83 8.146 10.306 -7.905 1.00 0.00 C ATOM 1366 C ASN A 83 6.780 10.377 -8.585 1.00 0.00 C ATOM 1367 O ASN A 83 5.874 11.072 -8.117 1.00 0.00 O ATOM 1368 CB ASN A 83 8.983 11.547 -8.224 1.00 0.00 C ATOM 1369 CG ASN A 83 8.142 12.731 -8.660 1.00 0.00 C ATOM 1370 OD1 ASN A 83 8.072 13.054 -9.846 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.496 13.384 -7.701 1.00 0.00 N ATOM 0 H ASN A 83 9.739 9.307 -8.817 1.00 0.00 H new ATOM 0 HA ASN A 83 7.973 10.262 -6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.562 11.824 -7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.696 11.305 -9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.913 14.188 -7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.582 13.082 -6.731 1.00 0.00 H new ATOM 1378 N HIS A 84 6.632 9.647 -9.686 1.00 0.00 N ATOM 1379 CA HIS A 84 5.373 9.623 -10.421 1.00 0.00 C ATOM 1380 C HIS A 84 4.326 8.807 -9.668 1.00 0.00 C ATOM 1381 O HIS A 84 3.123 9.016 -9.832 1.00 0.00 O ATOM 1382 CB HIS A 84 5.583 9.046 -11.823 1.00 0.00 C ATOM 1383 CG HIS A 84 6.086 7.637 -11.822 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.422 7.313 -11.714 1.00 0.00 N ATOM 1385 CD2 HIS A 84 5.423 6.460 -11.919 1.00 0.00 C ATOM 1386 CE1 HIS A 84 7.558 5.999 -11.743 1.00 0.00 C ATOM 1387 NE2 HIS A 84 6.360 5.459 -11.867 1.00 0.00 N ATOM 0 H HIS A 84 7.367 9.065 -10.088 1.00 0.00 H new ATOM 0 HA HIS A 84 5.013 10.648 -10.514 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.640 9.086 -12.368 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.290 9.675 -12.363 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.355 6.333 -12.019 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.491 5.459 -11.677 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.163 4.459 -11.916 1.00 0.00 H new ATOM 1396 N PHE A 85 4.794 7.871 -8.842 1.00 0.00 N ATOM 1397 CA PHE A 85 3.898 7.029 -8.058 1.00 0.00 C ATOM 1398 C PHE A 85 3.052 7.877 -7.118 1.00 0.00 C ATOM 1399 O PHE A 85 1.844 7.674 -7.008 1.00 0.00 O ATOM 1400 CB PHE A 85 4.692 5.991 -7.256 1.00 0.00 C ATOM 1401 CG PHE A 85 3.861 4.826 -6.783 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.313 3.932 -7.692 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.631 4.622 -5.429 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.553 2.860 -7.261 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.870 3.550 -4.993 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.331 2.670 -5.911 1.00 0.00 C ATOM 0 H PHE A 85 5.786 7.679 -8.700 1.00 0.00 H new ATOM 0 HA PHE A 85 3.237 6.505 -8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.509 5.616 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.142 6.479 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.482 4.075 -8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.050 5.307 -4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.133 2.172 -7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.698 3.402 -3.937 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.736 1.834 -5.574 1.00 0.00 H new ATOM 1416 N TRP A 86 3.688 8.838 -6.448 1.00 0.00 N ATOM 1417 CA TRP A 86 2.987 9.711 -5.522 1.00 0.00 C ATOM 1418 C TRP A 86 1.791 10.358 -6.205 1.00 0.00 C ATOM 1419 O TRP A 86 0.687 10.383 -5.657 1.00 0.00 O ATOM 1420 CB TRP A 86 3.940 10.778 -4.990 1.00 0.00 C ATOM 1421 CG TRP A 86 3.501 11.382 -3.696 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.496 12.706 -3.389 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.014 10.696 -2.535 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.032 12.895 -2.110 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.729 11.674 -1.564 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.789 9.352 -2.223 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.231 11.349 -0.304 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.294 9.031 -0.973 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.021 10.027 -0.028 1.00 0.00 C ATOM 0 H TRP A 86 4.687 9.027 -6.533 1.00 0.00 H new ATOM 0 HA TRP A 86 2.623 9.117 -4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.928 10.337 -4.859 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.040 11.568 -5.735 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.811 13.496 -4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.930 13.796 -1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 86 2.998 8.578 -2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.019 12.114 0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.115 7.996 -0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.636 9.745 0.941 1.00 0.00 H new ATOM 1440 N GLU A 87 2.016 10.886 -7.404 1.00 0.00 N ATOM 1441 CA GLU A 87 0.945 11.503 -8.169 1.00 0.00 C ATOM 1442 C GLU A 87 -0.086 10.443 -8.527 1.00 0.00 C ATOM 1443 O GLU A 87 -1.285 10.718 -8.597 1.00 0.00 O ATOM 1444 CB GLU A 87 1.495 12.160 -9.437 1.00 0.00 C ATOM 1445 CG GLU A 87 2.386 13.359 -9.163 1.00 0.00 C ATOM 1446 CD GLU A 87 3.167 13.796 -10.387 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.292 13.291 -10.586 1.00 0.00 O ATOM 1448 OE2 GLU A 87 2.654 14.645 -11.147 1.00 0.00 O ATOM 0 H GLU A 87 2.927 10.898 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 87 0.475 12.280 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.060 11.420 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.661 12.474 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.774 14.189 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.082 13.114 -8.361 1.00 0.00 H new ATOM 1455 N ILE A 88 0.401 9.226 -8.758 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.456 8.094 -9.088 1.00 0.00 C ATOM 1457 C ILE A 88 -1.192 7.599 -7.842 1.00 0.00 C ATOM 1458 O ILE A 88 -2.205 6.903 -7.934 1.00 0.00 O ATOM 1459 CB ILE A 88 0.357 6.942 -9.727 1.00 0.00 C ATOM 1460 CG1 ILE A 88 -0.230 6.574 -11.092 1.00 0.00 C ATOM 1461 CG2 ILE A 88 0.401 5.718 -8.821 1.00 0.00 C ATOM 1462 CD1 ILE A 88 0.685 6.906 -12.250 1.00 0.00 C ATOM 0 H ILE A 88 1.395 8.999 -8.722 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.191 8.433 -9.819 1.00 0.00 H new ATOM 0 HB ILE A 88 1.381 7.291 -9.862 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.451 5.507 -11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.177 7.098 -11.225 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.980 4.930 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.868 5.984 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.614 5.363 -8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.206 6.619 -13.186 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.886 7.977 -12.259 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.623 6.362 -12.140 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.671 7.983 -6.679 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.251 7.569 -5.406 1.00 0.00 C ATOM 1476 C VAL A 89 -2.343 8.544 -4.988 1.00 0.00 C ATOM 1477 O VAL A 89 -3.354 8.153 -4.403 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.192 7.480 -4.289 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.850 7.188 -2.949 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.843 6.417 -4.616 1.00 0.00 C ATOM 0 H VAL A 89 0.152 8.580 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.672 6.574 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 89 0.314 8.443 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.086 7.129 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.552 7.986 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.384 6.240 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.581 6.370 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.352 5.449 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.339 6.669 -5.553 1.00 0.00 H new ATOM 1490 N VAL A 90 -2.133 9.820 -5.302 1.00 0.00 N ATOM 1491 CA VAL A 90 -3.102 10.854 -4.972 1.00 0.00 C ATOM 1492 C VAL A 90 -4.196 10.892 -6.029 1.00 0.00 C ATOM 1493 O VAL A 90 -5.366 11.127 -5.725 1.00 0.00 O ATOM 1494 CB VAL A 90 -2.440 12.243 -4.861 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.824 12.658 -6.188 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -3.448 13.279 -4.385 1.00 0.00 C ATOM 0 H VAL A 90 -1.301 10.159 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.532 10.609 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.639 12.181 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.364 13.641 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.066 11.931 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.600 12.700 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.963 14.252 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.273 13.337 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.831 12.991 -3.406 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.797 10.665 -7.278 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.739 10.648 -8.391 1.00 0.00 C ATOM 1508 C GLN A 91 -5.810 9.591 -8.155 1.00 0.00 C ATOM 1509 O GLN A 91 -7.001 9.848 -8.335 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.010 10.372 -9.707 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.904 10.480 -10.932 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.115 10.570 -12.224 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -3.907 9.568 -12.908 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.673 11.775 -12.565 1.00 0.00 N ATOM 0 H GLN A 91 -2.828 10.490 -7.543 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.215 11.627 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.182 11.074 -9.808 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.577 9.372 -9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.564 9.613 -10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.540 11.360 -10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.869 12.578 -11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.137 11.897 -13.424 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.375 8.401 -7.748 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.299 7.305 -7.473 1.00 0.00 C ATOM 1525 C ASP A 92 -7.147 7.609 -6.242 1.00 0.00 C ATOM 1526 O ASP A 92 -8.016 6.822 -5.863 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.527 6.001 -7.268 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.573 5.104 -8.489 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.722 5.280 -9.387 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.460 4.227 -8.549 1.00 0.00 O ATOM 0 H ASP A 92 -4.392 8.172 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.962 7.194 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.489 6.231 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.941 5.467 -6.413 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.887 8.756 -5.623 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.632 9.155 -4.445 1.00 0.00 C ATOM 1537 C GLY A 93 -7.203 8.417 -3.192 1.00 0.00 C ATOM 1538 O GLY A 93 -7.852 8.525 -2.152 1.00 0.00 O ATOM 0 H GLY A 93 -6.170 9.419 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.507 10.227 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.694 8.980 -4.617 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.110 7.664 -3.284 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.607 6.916 -2.139 1.00 0.00 C ATOM 1544 C ILE A 94 -5.111 7.862 -1.053 1.00 0.00 C ATOM 1545 O ILE A 94 -4.332 8.775 -1.323 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.460 5.968 -2.541 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.763 5.292 -3.882 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.225 4.928 -1.454 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -5.997 4.413 -3.862 1.00 0.00 C ATOM 0 H ILE A 94 -5.559 7.557 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.437 6.321 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.550 6.557 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.889 6.060 -4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.904 4.689 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.412 4.266 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.961 5.429 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.133 4.343 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -6.144 3.970 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.868 3.621 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.868 5.014 -3.600 1.00 0.00 H new ATOM 1561 N THR A 95 -5.567 7.639 0.175 1.00 0.00 N ATOM 1562 CA THR A 95 -5.169 8.479 1.296 1.00 0.00 C ATOM 1563 C THR A 95 -4.508 7.663 2.397 1.00 0.00 C ATOM 1564 O THR A 95 -4.820 6.486 2.588 1.00 0.00 O ATOM 1565 CB THR A 95 -6.371 9.236 1.887 1.00 0.00 C ATOM 1566 OG1 THR A 95 -7.292 8.310 2.479 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.081 10.048 0.815 1.00 0.00 C ATOM 0 H THR A 95 -6.210 6.886 0.418 1.00 0.00 H new ATOM 0 HA THR A 95 -4.450 9.199 0.904 1.00 0.00 H new ATOM 0 HB THR A 95 -6.000 9.919 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.053 8.800 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.927 10.574 1.258 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.387 10.772 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.439 9.381 0.030 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.590 8.300 3.114 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.873 7.654 4.206 1.00 0.00 C ATOM 1577 C LEU A 96 -3.837 7.071 5.232 1.00 0.00 C ATOM 1578 O LEU A 96 -5.054 7.224 5.122 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.940 8.662 4.886 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.507 8.723 4.342 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.407 7.822 5.154 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.461 8.344 2.865 1.00 0.00 C ATOM 0 H LEU A 96 -3.323 9.272 2.956 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.286 6.836 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.383 9.654 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.894 8.425 5.949 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.155 9.750 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.420 7.877 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.409 8.148 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.049 6.794 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.567 8.396 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.838 7.329 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.080 9.035 2.293 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.278 6.408 6.235 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.071 5.797 7.291 1.00 0.00 C ATOM 1596 C ILE A 97 -4.608 6.862 8.245 1.00 0.00 C ATOM 1597 O ILE A 97 -3.841 7.617 8.841 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.228 4.761 8.070 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.355 3.380 7.420 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.639 4.708 9.537 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.658 3.275 6.078 1.00 0.00 C ATOM 0 H ILE A 97 -2.271 6.280 6.339 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.916 5.285 6.830 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.184 5.071 8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.941 2.631 8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.411 3.144 7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.029 3.971 10.059 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.493 5.688 9.992 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.690 4.427 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.790 2.270 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.088 4.000 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.595 3.479 6.203 1.00 0.00 H new ATOM 1613 N THR A 98 -5.932 6.928 8.374 1.00 0.00 N ATOM 1614 CA THR A 98 -6.566 7.906 9.252 1.00 0.00 C ATOM 1615 C THR A 98 -7.009 7.275 10.569 1.00 0.00 C ATOM 1616 O THR A 98 -7.457 6.129 10.599 1.00 0.00 O ATOM 1617 CB THR A 98 -7.786 8.559 8.576 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.891 8.114 7.218 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.675 10.076 8.610 1.00 0.00 C ATOM 0 H THR A 98 -6.584 6.317 7.882 1.00 0.00 H new ATOM 0 HA THR A 98 -5.816 8.670 9.458 1.00 0.00 H new ATOM 0 HB THR A 98 -8.680 8.263 9.125 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.670 8.532 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.548 10.516 8.127 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.624 10.414 9.645 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.773 10.387 8.082 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.859 8.035 11.653 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.240 7.582 12.994 1.00 0.00 C ATOM 1629 C LYS A 99 -8.503 6.721 12.984 1.00 0.00 C ATOM 1630 O LYS A 99 -8.424 5.493 12.943 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.446 8.780 13.929 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.400 10.128 13.228 1.00 0.00 C ATOM 1633 CD LYS A 99 -7.959 11.233 14.109 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.345 12.582 13.768 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.384 13.612 13.494 1.00 0.00 N ATOM 0 H LYS A 99 -6.472 8.978 11.629 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.419 6.965 13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.408 8.675 14.430 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.680 8.759 14.704 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.371 10.363 12.956 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.971 10.077 12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.041 11.284 13.988 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.766 10.998 15.156 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.715 12.913 14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.699 12.477 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.924 14.517 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.970 13.309 12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.985 13.731 14.335 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.663 7.371 13.028 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.943 6.666 13.043 1.00 0.00 C ATOM 1651 C GLU A 100 -11.051 5.664 11.895 1.00 0.00 C ATOM 1652 O GLU A 100 -11.879 4.755 11.930 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.095 7.668 12.983 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.472 7.024 12.990 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.478 7.812 13.805 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.161 8.165 14.961 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -15.585 8.076 13.289 1.00 0.00 O ATOM 0 H GLU A 100 -9.744 8.387 13.054 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.003 6.105 13.975 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.018 8.347 13.832 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.992 8.272 12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.832 6.932 11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.395 6.014 13.392 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.208 5.831 10.882 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.214 4.931 9.736 1.00 0.00 C ATOM 1666 C GLU A 101 -9.447 3.651 10.058 1.00 0.00 C ATOM 1667 O GLU A 101 -9.122 2.867 9.165 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.602 5.619 8.514 1.00 0.00 C ATOM 1669 CG GLU A 101 -10.124 5.085 7.190 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.009 4.732 6.225 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -8.299 3.735 6.476 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -8.844 5.453 5.219 1.00 0.00 O ATOM 0 H GLU A 101 -9.515 6.578 10.831 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.248 4.670 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.805 6.689 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.519 5.498 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.734 4.201 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.774 5.831 6.732 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.161 3.448 11.342 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.432 2.267 11.792 1.00 0.00 C ATOM 1681 C ALA A 102 -9.196 1.541 12.898 1.00 0.00 C ATOM 1682 O ALA A 102 -8.613 0.784 13.674 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.044 2.658 12.274 1.00 0.00 C ATOM 0 H ALA A 102 -9.424 4.089 12.090 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.332 1.585 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.510 1.768 12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.494 3.127 11.458 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.131 3.360 13.103 1.00 0.00 H new ATOM 1689 N SER A 103 -10.503 1.782 12.959 1.00 0.00 N ATOM 1690 CA SER A 103 -11.365 1.153 13.958 1.00 0.00 C ATOM 1691 C SER A 103 -10.935 1.498 15.384 1.00 0.00 C ATOM 1692 O SER A 103 -10.328 0.679 16.073 1.00 0.00 O ATOM 1693 CB SER A 103 -11.374 -0.366 13.772 1.00 0.00 C ATOM 1694 OG SER A 103 -12.269 -0.749 12.742 1.00 0.00 O ATOM 0 H SER A 103 -10.992 2.413 12.324 1.00 0.00 H new ATOM 0 HA SER A 103 -12.371 1.545 13.809 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.369 -0.712 13.532 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.662 -0.848 14.706 1.00 0.00 H new ATOM 0 HG SER A 103 -12.255 -1.724 12.642 1.00 0.00 H new ATOM 1700 N GLY A 104 -11.253 2.716 15.818 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.912 3.142 17.167 1.00 0.00 C ATOM 1702 C GLY A 104 -9.417 3.216 17.412 1.00 0.00 C ATOM 1703 O GLY A 104 -8.948 2.905 18.507 1.00 0.00 O ATOM 0 H GLY A 104 -11.741 3.416 15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.353 4.121 17.354 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.357 2.450 17.882 1.00 0.00 H new ATOM 1707 N SER A 105 -8.667 3.629 16.398 1.00 0.00 N ATOM 1708 CA SER A 105 -7.217 3.745 16.520 1.00 0.00 C ATOM 1709 C SER A 105 -6.749 5.119 16.103 1.00 0.00 C ATOM 1710 O SER A 105 -6.829 5.485 14.935 1.00 0.00 O ATOM 1711 CB SER A 105 -6.518 2.671 15.685 1.00 0.00 C ATOM 1712 OG SER A 105 -5.600 1.931 16.471 1.00 0.00 O ATOM 0 H SER A 105 -9.036 3.889 15.483 1.00 0.00 H new ATOM 0 HA SER A 105 -6.955 3.597 17.568 1.00 0.00 H new ATOM 0 HB2 SER A 105 -7.261 1.998 15.257 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.994 3.138 14.851 1.00 0.00 H new ATOM 0 HG SER A 105 -5.168 1.250 15.915 1.00 0.00 H new ATOM 1718 N SER A 106 -6.244 5.874 17.069 1.00 0.00 N ATOM 1719 CA SER A 106 -5.770 7.215 16.808 1.00 0.00 C ATOM 1720 C SER A 106 -4.554 7.196 15.896 1.00 0.00 C ATOM 1721 O SER A 106 -3.717 6.295 15.958 1.00 0.00 O ATOM 1722 CB SER A 106 -5.427 7.922 18.120 1.00 0.00 C ATOM 1723 OG SER A 106 -6.593 8.181 18.881 1.00 0.00 O ATOM 0 H SER A 106 -6.154 5.575 18.040 1.00 0.00 H new ATOM 0 HA SER A 106 -6.568 7.762 16.306 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.740 7.305 18.700 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.912 8.859 17.908 1.00 0.00 H new ATOM 0 HG SER A 106 -6.346 8.632 19.715 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.479 8.206 15.053 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.376 8.362 14.115 1.00 0.00 C ATOM 1731 C VAL A 107 -3.009 9.834 13.976 1.00 0.00 C ATOM 1732 O VAL A 107 -3.879 10.705 13.981 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.711 7.767 12.729 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.046 8.556 11.608 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.292 6.307 12.670 1.00 0.00 C ATOM 0 H VAL A 107 -5.180 8.945 14.996 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.524 7.811 14.515 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.790 7.834 12.587 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.303 8.110 10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.394 9.589 11.634 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.964 8.535 11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.533 5.899 11.689 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.218 6.229 12.842 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.824 5.745 13.438 1.00 0.00 H new ATOM 1745 N THR A 108 -1.717 10.099 13.856 1.00 0.00 N ATOM 1746 CA THR A 108 -1.220 11.461 13.735 1.00 0.00 C ATOM 1747 C THR A 108 -1.862 12.208 12.568 1.00 0.00 C ATOM 1748 O THR A 108 -2.232 11.613 11.556 1.00 0.00 O ATOM 1749 CB THR A 108 0.307 11.467 13.551 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.850 10.193 13.916 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.947 12.555 14.397 1.00 0.00 C ATOM 0 H THR A 108 -0.990 9.384 13.840 1.00 0.00 H new ATOM 0 HA THR A 108 -1.487 11.973 14.660 1.00 0.00 H new ATOM 0 HB THR A 108 0.524 11.667 12.502 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.825 9.593 13.142 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.027 12.541 14.251 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.553 13.527 14.099 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.720 12.379 15.449 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.987 13.523 12.729 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.559 14.388 11.702 1.00 0.00 C ATOM 1761 C ALA A 109 -1.506 14.733 10.657 1.00 0.00 C ATOM 1762 O ALA A 109 -1.812 15.254 9.585 1.00 0.00 O ATOM 1763 CB ALA A 109 -3.127 15.653 12.329 1.00 0.00 C ATOM 0 H ALA A 109 -1.696 14.017 13.572 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.373 13.855 11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.550 16.287 11.550 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.907 15.387 13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.332 16.192 12.844 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.258 14.435 10.997 1.00 0.00 N ATOM 1770 CA GLU A 110 0.875 14.709 10.123 1.00 0.00 C ATOM 1771 C GLU A 110 1.050 13.572 9.125 1.00 0.00 C ATOM 1772 O GLU A 110 1.745 13.708 8.119 1.00 0.00 O ATOM 1773 CB GLU A 110 2.153 14.893 10.944 1.00 0.00 C ATOM 1774 CG GLU A 110 2.904 16.173 10.619 1.00 0.00 C ATOM 1775 CD GLU A 110 4.032 16.450 11.594 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.049 15.727 11.546 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.898 17.390 12.405 1.00 0.00 O ATOM 0 H GLU A 110 -0.004 13.998 11.883 1.00 0.00 H new ATOM 0 HA GLU A 110 0.679 15.632 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.898 14.890 12.004 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.811 14.041 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.309 16.106 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.207 17.011 10.628 1.00 0.00 H new ATOM 1784 N GLU A 111 0.417 12.446 9.424 1.00 0.00 N ATOM 1785 CA GLU A 111 0.509 11.269 8.581 1.00 0.00 C ATOM 1786 C GLU A 111 -0.420 11.386 7.377 1.00 0.00 C ATOM 1787 O GLU A 111 -0.018 11.129 6.243 1.00 0.00 O ATOM 1788 CB GLU A 111 0.164 10.016 9.393 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.344 8.858 8.552 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.265 7.533 9.284 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.679 7.352 10.081 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.146 6.679 9.061 1.00 0.00 O ATOM 0 H GLU A 111 -0.169 12.326 10.250 1.00 0.00 H new ATOM 0 HA GLU A 111 1.532 11.189 8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.050 9.694 9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.592 10.273 10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.377 9.049 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.239 8.797 7.633 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.664 11.779 7.627 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.654 11.903 6.565 1.00 0.00 C ATOM 1801 C ALA A 112 -2.641 13.278 5.894 1.00 0.00 C ATOM 1802 O ALA A 112 -2.629 13.376 4.666 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.038 11.609 7.119 1.00 0.00 C ATOM 0 H ALA A 112 -2.010 12.017 8.556 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.392 11.175 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.776 11.703 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.062 10.595 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.270 12.318 7.914 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.644 14.334 6.702 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.685 15.701 6.183 1.00 0.00 C ATOM 1811 C LYS A 113 -1.389 16.121 5.491 1.00 0.00 C ATOM 1812 O LYS A 113 -1.423 16.679 4.395 1.00 0.00 O ATOM 1813 CB LYS A 113 -3.001 16.680 7.315 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.767 17.912 6.861 1.00 0.00 C ATOM 1815 CD LYS A 113 -3.857 18.949 7.968 1.00 0.00 C ATOM 1816 CE LYS A 113 -4.526 20.225 7.484 1.00 0.00 C ATOM 1817 NZ LYS A 113 -4.704 21.211 8.586 1.00 0.00 N ATOM 0 H LYS A 113 -2.619 14.271 7.720 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.472 15.724 5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.582 16.163 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.068 16.995 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.275 18.348 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.771 17.623 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.418 18.539 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.857 19.178 8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.926 20.671 6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.497 19.984 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.163 22.067 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.298 20.795 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.775 21.461 8.982 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.253 15.856 6.124 1.00 0.00 N ATOM 1832 CA LYS A 114 1.034 16.254 5.558 1.00 0.00 C ATOM 1833 C LYS A 114 1.352 15.496 4.272 1.00 0.00 C ATOM 1834 O LYS A 114 1.943 16.056 3.348 1.00 0.00 O ATOM 1835 CB LYS A 114 2.150 16.042 6.580 1.00 0.00 C ATOM 1836 CG LYS A 114 3.141 17.191 6.644 1.00 0.00 C ATOM 1837 CD LYS A 114 4.247 17.031 5.615 1.00 0.00 C ATOM 1838 CE LYS A 114 5.549 17.652 6.096 1.00 0.00 C ATOM 1839 NZ LYS A 114 6.631 17.531 5.081 1.00 0.00 N ATOM 0 H LYS A 114 -0.194 15.372 7.020 1.00 0.00 H new ATOM 0 HA LYS A 114 0.966 17.313 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.707 15.900 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.685 15.124 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.619 18.133 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.576 17.242 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.402 15.972 5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.944 17.498 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.385 18.704 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.863 17.167 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.501 17.966 5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.806 16.526 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.343 18.016 4.207 1.00 0.00 H new ATOM 1853 N PHE A 115 0.962 14.228 4.212 1.00 0.00 N ATOM 1854 CA PHE A 115 1.225 13.405 3.035 1.00 0.00 C ATOM 1855 C PHE A 115 0.403 13.857 1.830 1.00 0.00 C ATOM 1856 O PHE A 115 0.935 14.015 0.731 1.00 0.00 O ATOM 1857 CB PHE A 115 0.920 11.939 3.342 1.00 0.00 C ATOM 1858 CG PHE A 115 2.061 11.200 3.984 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.672 11.691 5.128 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.516 10.009 3.445 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.715 11.003 5.721 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.558 9.320 4.032 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.157 9.816 5.170 1.00 0.00 C ATOM 0 H PHE A 115 0.464 13.748 4.961 1.00 0.00 H new ATOM 0 HA PHE A 115 2.280 13.519 2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.052 11.889 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.648 11.433 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.330 12.620 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.050 9.614 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.183 11.393 6.613 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.904 8.393 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.972 9.277 5.631 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.892 14.070 2.041 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.782 14.489 0.960 1.00 0.00 C ATOM 1875 C LEU A 116 -1.695 15.993 0.714 1.00 0.00 C ATOM 1876 O LEU A 116 -2.554 16.569 0.047 1.00 0.00 O ATOM 1877 CB LEU A 116 -3.227 14.094 1.278 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.609 12.667 0.877 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -4.169 11.911 2.072 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.617 12.685 -0.264 1.00 0.00 C ATOM 0 H LEU A 116 -1.349 13.960 2.946 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.461 13.980 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.393 14.211 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.898 14.789 0.773 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.711 12.153 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.436 10.898 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.417 11.868 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.056 12.424 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.877 11.662 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.515 13.216 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.182 13.190 -1.126 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.658 16.625 1.255 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.468 18.061 1.083 1.00 0.00 C ATOM 1894 C ALA A 117 0.195 18.366 -0.261 1.00 0.00 C ATOM 1895 O ALA A 117 1.057 17.616 -0.716 1.00 0.00 O ATOM 1896 CB ALA A 117 0.362 18.625 2.225 1.00 0.00 C ATOM 0 H ALA A 117 0.061 16.167 1.814 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.448 18.539 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.495 19.697 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.150 18.445 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.337 18.137 2.242 1.00 0.00 H new