USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 ASN :FLIP amide:sc= -3.39! C(o=-7.3!,f=-6.3!) USER MOD Set 1.2: A 89 SER OG : rot -91:sc= -2.88! USER MOD Set 2.1: A 82 SER OG : rot 48:sc= 0 USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 90:sc= -4.51! USER MOD Single : A 28 SER OG : rot 180:sc= -1.05! USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.394) USER MOD Single : A 39 THR OG1 : rot 110:sc= -0.605 USER MOD Single : A 43 THR OG1 : rot -70:sc= -0.28 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 35:sc= -0.587 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.681 X(o=-0.68,f=-0.79) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.053) USER MOD Single : A 74 HIS : no HE2:sc= -9.76! C(o=-9.8!,f=-15!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 5:sc= -1.18! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 95 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.6!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.79) USER MOD Single : A 101 SER OG : rot 70:sc= 0.488 USER MOD Single : A 112 LYS NZ :NH3+ 148:sc= -0.0523 (180deg=-0.51) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.399 -9.523 -14.354 1.00 0.00 N ATOM 2 CA LEU A 17 2.357 -8.825 -13.466 1.00 0.00 C ATOM 3 C LEU A 17 3.757 -9.355 -13.702 1.00 0.00 C ATOM 4 O LEU A 17 4.344 -9.995 -12.853 1.00 0.00 O ATOM 5 CB LEU A 17 1.967 -9.062 -11.994 1.00 0.00 C ATOM 6 CG LEU A 17 2.879 -8.254 -11.036 1.00 0.00 C ATOM 7 CD1 LEU A 17 2.886 -6.774 -11.420 1.00 0.00 C ATOM 8 CD2 LEU A 17 2.327 -8.382 -9.628 1.00 0.00 C ATOM 0 HA LEU A 17 2.331 -7.758 -13.685 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.927 -8.774 -11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.042 -10.124 -11.762 1.00 0.00 H new ATOM 0 HG LEU A 17 3.895 -8.643 -11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.532 -6.224 -10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.259 -6.664 -12.438 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.872 -6.378 -11.360 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.956 -7.819 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.312 -7.987 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.316 -9.432 -9.335 1.00 0.00 H new ATOM 22 N GLN A 18 4.257 -9.105 -14.868 1.00 0.00 N ATOM 23 CA GLN A 18 5.612 -9.577 -15.184 1.00 0.00 C ATOM 24 C GLN A 18 6.609 -8.698 -14.471 1.00 0.00 C ATOM 25 O GLN A 18 7.639 -9.145 -14.004 1.00 0.00 O ATOM 26 CB GLN A 18 5.827 -9.457 -16.701 1.00 0.00 C ATOM 27 CG GLN A 18 7.114 -10.183 -17.081 1.00 0.00 C ATOM 28 CD GLN A 18 7.658 -9.606 -18.389 1.00 0.00 C ATOM 29 OE1 GLN A 18 8.667 -8.930 -18.409 1.00 0.00 O ATOM 30 NE2 GLN A 18 7.021 -9.846 -19.504 1.00 0.00 N ATOM 0 H GLN A 18 3.784 -8.594 -15.613 1.00 0.00 H new ATOM 0 HA GLN A 18 5.740 -10.612 -14.868 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.980 -9.887 -17.236 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.887 -8.408 -16.991 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.853 -10.074 -16.288 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.922 -11.250 -17.194 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.173 -10.413 -19.495 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.372 -9.467 -20.383 1.00 0.00 H new ATOM 39 N ASP A 19 6.267 -7.455 -14.404 1.00 0.00 N ATOM 40 CA ASP A 19 7.138 -6.479 -13.738 1.00 0.00 C ATOM 41 C ASP A 19 6.370 -5.206 -13.448 1.00 0.00 C ATOM 42 O ASP A 19 6.790 -4.383 -12.658 1.00 0.00 O ATOM 43 CB ASP A 19 8.273 -6.150 -14.685 1.00 0.00 C ATOM 44 CG ASP A 19 9.612 -6.355 -13.974 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.885 -5.556 -13.093 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.286 -7.299 -14.350 1.00 0.00 O ATOM 0 H ASP A 19 5.405 -7.070 -14.790 1.00 0.00 H new ATOM 0 HA ASP A 19 7.509 -6.894 -12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.218 -6.786 -15.569 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.186 -5.119 -15.028 1.00 0.00 H new ATOM 51 N ALA A 20 5.253 -5.073 -14.097 1.00 0.00 N ATOM 52 CA ALA A 20 4.416 -3.860 -13.889 1.00 0.00 C ATOM 53 C ALA A 20 5.257 -2.587 -14.008 1.00 0.00 C ATOM 54 O ALA A 20 6.452 -2.649 -14.227 1.00 0.00 O ATOM 55 CB ALA A 20 3.822 -3.915 -12.473 1.00 0.00 C ATOM 0 H ALA A 20 4.881 -5.750 -14.763 1.00 0.00 H new ATOM 0 HA ALA A 20 3.634 -3.840 -14.648 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.205 -3.033 -12.303 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.210 -4.811 -12.370 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.629 -3.940 -11.741 1.00 0.00 H new ATOM 61 N GLU A 21 4.606 -1.455 -13.870 1.00 0.00 N ATOM 62 CA GLU A 21 5.329 -0.156 -13.965 1.00 0.00 C ATOM 63 C GLU A 21 5.325 0.540 -12.611 1.00 0.00 C ATOM 64 O GLU A 21 6.362 0.752 -12.014 1.00 0.00 O ATOM 65 CB GLU A 21 4.594 0.737 -14.978 1.00 0.00 C ATOM 66 CG GLU A 21 4.557 0.035 -16.334 1.00 0.00 C ATOM 67 CD GLU A 21 3.595 0.780 -17.260 1.00 0.00 C ATOM 68 OE1 GLU A 21 4.047 1.754 -17.839 1.00 0.00 O ATOM 69 OE2 GLU A 21 2.462 0.335 -17.336 1.00 0.00 O ATOM 0 H GLU A 21 3.604 -1.380 -13.696 1.00 0.00 H new ATOM 0 HA GLU A 21 6.358 -0.333 -14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.580 0.940 -14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.099 1.699 -15.067 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.555 0.010 -16.771 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.236 -1.000 -16.213 1.00 0.00 H new ATOM 76 N TRP A 22 4.148 0.888 -12.157 1.00 0.00 N ATOM 77 CA TRP A 22 4.037 1.574 -10.839 1.00 0.00 C ATOM 78 C TRP A 22 4.945 0.910 -9.826 1.00 0.00 C ATOM 79 O TRP A 22 5.517 1.551 -8.967 1.00 0.00 O ATOM 80 CB TRP A 22 2.585 1.450 -10.355 1.00 0.00 C ATOM 81 CG TRP A 22 1.708 0.972 -11.528 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.245 1.775 -12.469 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.369 -0.282 -11.770 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.604 0.952 -13.313 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.635 -0.374 -12.942 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.636 -1.435 -11.053 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.185 -1.596 -13.381 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.182 -2.648 -11.497 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.463 -2.729 -12.655 1.00 0.00 C ATOM 0 H TRP A 22 3.265 0.727 -12.641 1.00 0.00 H new ATOM 0 HA TRP A 22 4.326 2.619 -10.945 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.523 0.745 -9.526 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.228 2.411 -9.984 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.357 2.847 -12.542 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.134 1.280 -14.157 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.206 -1.378 -10.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.386 -1.666 -14.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.393 -3.543 -10.930 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.111 -3.689 -13.002 1.00 0.00 H new ATOM 100 N TYR A 23 5.056 -0.367 -9.959 1.00 0.00 N ATOM 101 CA TYR A 23 5.912 -1.145 -9.040 1.00 0.00 C ATOM 102 C TYR A 23 7.324 -1.245 -9.606 1.00 0.00 C ATOM 103 O TYR A 23 7.508 -1.563 -10.764 1.00 0.00 O ATOM 104 CB TYR A 23 5.308 -2.564 -8.932 1.00 0.00 C ATOM 105 CG TYR A 23 3.868 -2.540 -8.313 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.251 -1.359 -7.857 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.156 -3.723 -8.224 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.971 -1.396 -7.341 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.877 -3.743 -7.704 1.00 0.00 C ATOM 110 CZ TYR A 23 1.277 -2.583 -7.261 1.00 0.00 C ATOM 111 OH TYR A 23 -0.004 -2.610 -6.748 1.00 0.00 O ATOM 0 H TYR A 23 4.583 -0.917 -10.676 1.00 0.00 H new ATOM 0 HA TYR A 23 5.958 -0.662 -8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.270 -3.019 -9.922 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.957 -3.189 -8.318 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.782 -0.420 -7.911 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.607 -4.643 -8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.508 -0.483 -6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.340 -4.678 -7.643 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.649 -2.473 -7.472 1.00 0.00 H new ATOM 121 N TRP A 24 8.301 -0.971 -8.780 1.00 0.00 N ATOM 122 CA TRP A 24 9.699 -1.048 -9.268 1.00 0.00 C ATOM 123 C TRP A 24 10.220 -2.459 -9.081 1.00 0.00 C ATOM 124 O TRP A 24 11.306 -2.791 -9.516 1.00 0.00 O ATOM 125 CB TRP A 24 10.594 -0.107 -8.428 1.00 0.00 C ATOM 126 CG TRP A 24 9.988 1.310 -8.297 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.810 1.714 -8.782 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.560 2.266 -7.624 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.714 2.985 -8.338 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.791 3.406 -7.596 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.786 2.246 -7.006 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.244 4.526 -6.943 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.245 3.366 -6.356 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.474 4.510 -6.321 1.00 0.00 C ATOM 0 H TRP A 24 8.189 -0.701 -7.803 1.00 0.00 H new ATOM 0 HA TRP A 24 9.721 -0.762 -10.320 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.736 -0.533 -7.435 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.579 -0.038 -8.889 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.106 1.158 -9.383 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.911 3.582 -8.536 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.389 1.350 -7.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.637 5.419 -6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.210 3.351 -5.872 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.833 5.390 -5.808 1.00 0.00 H new ATOM 145 N GLY A 25 9.422 -3.261 -8.430 1.00 0.00 N ATOM 146 CA GLY A 25 9.817 -4.672 -8.178 1.00 0.00 C ATOM 147 C GLY A 25 9.773 -4.944 -6.685 1.00 0.00 C ATOM 148 O GLY A 25 8.972 -5.726 -6.212 1.00 0.00 O ATOM 0 H GLY A 25 8.509 -2.996 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.144 -5.350 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.820 -4.856 -8.564 1.00 0.00 H new ATOM 152 N ASP A 26 10.636 -4.291 -5.975 1.00 0.00 N ATOM 153 CA ASP A 26 10.674 -4.484 -4.506 1.00 0.00 C ATOM 154 C ASP A 26 11.754 -3.606 -3.867 1.00 0.00 C ATOM 155 O ASP A 26 12.921 -3.716 -4.198 1.00 0.00 O ATOM 156 CB ASP A 26 10.996 -5.972 -4.222 1.00 0.00 C ATOM 157 CG ASP A 26 12.268 -6.081 -3.372 1.00 0.00 C ATOM 158 OD1 ASP A 26 12.149 -5.856 -2.181 1.00 0.00 O ATOM 159 OD2 ASP A 26 13.289 -6.388 -3.966 1.00 0.00 O ATOM 0 H ASP A 26 11.319 -3.630 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 26 9.710 -4.204 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.160 -6.441 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.129 -6.509 -5.161 1.00 0.00 H new ATOM 164 N ILE A 27 11.344 -2.724 -2.974 1.00 0.00 N ATOM 165 CA ILE A 27 12.351 -1.839 -2.312 1.00 0.00 C ATOM 166 C ILE A 27 12.016 -1.652 -0.822 1.00 0.00 C ATOM 167 O ILE A 27 11.676 -2.601 -0.142 1.00 0.00 O ATOM 168 CB ILE A 27 12.387 -0.449 -3.010 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.995 0.239 -2.992 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.881 -0.618 -4.470 1.00 0.00 C ATOM 171 CD1 ILE A 27 10.129 -0.167 -4.198 1.00 0.00 C ATOM 0 H ILE A 27 10.376 -2.585 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 27 13.328 -2.315 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 27 13.075 0.192 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.475 -0.021 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.127 1.321 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.907 0.355 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.882 -1.050 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.202 -1.278 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.166 0.340 -4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.634 0.117 -5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.973 -1.246 -4.187 1.00 0.00 H new ATOM 183 N SER A 28 12.116 -0.433 -0.343 1.00 0.00 N ATOM 184 CA SER A 28 11.809 -0.181 1.087 1.00 0.00 C ATOM 185 C SER A 28 11.476 1.288 1.316 1.00 0.00 C ATOM 186 O SER A 28 11.338 2.050 0.380 1.00 0.00 O ATOM 187 CB SER A 28 13.049 -0.540 1.921 1.00 0.00 C ATOM 188 OG SER A 28 13.811 -1.384 1.069 1.00 0.00 O ATOM 0 H SER A 28 12.395 0.387 -0.882 1.00 0.00 H new ATOM 0 HA SER A 28 10.951 -0.786 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.610 0.351 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.774 -1.050 2.844 1.00 0.00 H new ATOM 0 HG SER A 28 14.630 -1.660 1.530 1.00 0.00 H new ATOM 194 N ARG A 29 11.349 1.659 2.560 1.00 0.00 N ATOM 195 CA ARG A 29 11.026 3.069 2.872 1.00 0.00 C ATOM 196 C ARG A 29 12.139 3.987 2.437 1.00 0.00 C ATOM 197 O ARG A 29 11.930 5.153 2.189 1.00 0.00 O ATOM 198 CB ARG A 29 10.853 3.187 4.368 1.00 0.00 C ATOM 199 CG ARG A 29 9.774 2.207 4.805 1.00 0.00 C ATOM 200 CD ARG A 29 9.619 2.282 6.310 1.00 0.00 C ATOM 201 NE ARG A 29 8.168 2.322 6.650 1.00 0.00 N ATOM 202 CZ ARG A 29 7.800 2.286 7.902 1.00 0.00 C ATOM 203 NH1 ARG A 29 8.583 2.811 8.806 1.00 0.00 N ATOM 204 NH2 ARG A 29 6.660 1.730 8.209 1.00 0.00 N ATOM 0 H ARG A 29 11.455 1.045 3.368 1.00 0.00 H new ATOM 0 HA ARG A 29 10.117 3.355 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.792 2.969 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.573 4.205 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.829 2.445 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.041 1.194 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.092 1.420 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.120 3.170 6.696 1.00 0.00 H new ATOM 0 HE ARG A 29 7.468 2.377 5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.466 3.240 8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.312 2.792 9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.073 1.333 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.356 1.693 9.182 1.00 0.00 H new ATOM 218 N GLU A 30 13.303 3.445 2.349 1.00 0.00 N ATOM 219 CA GLU A 30 14.451 4.272 1.931 1.00 0.00 C ATOM 220 C GLU A 30 14.266 4.794 0.516 1.00 0.00 C ATOM 221 O GLU A 30 14.367 5.979 0.280 1.00 0.00 O ATOM 222 CB GLU A 30 15.717 3.411 1.982 1.00 0.00 C ATOM 223 CG GLU A 30 15.874 2.854 3.393 1.00 0.00 C ATOM 224 CD GLU A 30 17.345 2.517 3.644 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.876 1.777 2.833 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.854 3.020 4.633 1.00 0.00 O ATOM 0 H GLU A 30 13.513 2.467 2.547 1.00 0.00 H new ATOM 0 HA GLU A 30 14.531 5.125 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.650 2.597 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.589 4.006 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.526 3.583 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.259 1.962 3.515 1.00 0.00 H new ATOM 233 N GLU A 31 13.988 3.909 -0.406 1.00 0.00 N ATOM 234 CA GLU A 31 13.800 4.368 -1.794 1.00 0.00 C ATOM 235 C GLU A 31 12.425 4.987 -1.965 1.00 0.00 C ATOM 236 O GLU A 31 12.295 6.083 -2.479 1.00 0.00 O ATOM 237 CB GLU A 31 13.923 3.165 -2.728 1.00 0.00 C ATOM 238 CG GLU A 31 15.214 2.408 -2.418 1.00 0.00 C ATOM 239 CD GLU A 31 15.845 1.932 -3.731 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.477 0.845 -4.145 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.656 2.685 -4.245 1.00 0.00 O ATOM 0 H GLU A 31 13.886 2.906 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 31 14.556 5.117 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.064 2.506 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.924 3.496 -3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.908 3.053 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.004 1.556 -1.771 1.00 0.00 H new ATOM 248 N VAL A 32 11.416 4.279 -1.530 1.00 0.00 N ATOM 249 CA VAL A 32 10.049 4.825 -1.663 1.00 0.00 C ATOM 250 C VAL A 32 10.025 6.270 -1.184 1.00 0.00 C ATOM 251 O VAL A 32 9.765 7.183 -1.942 1.00 0.00 O ATOM 252 CB VAL A 32 9.098 4.007 -0.767 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.799 4.800 -0.578 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.797 2.660 -1.434 1.00 0.00 C ATOM 0 H VAL A 32 11.485 3.359 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 32 9.740 4.773 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 32 9.561 3.824 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.116 4.233 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.022 5.756 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.335 4.975 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.125 2.082 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.326 2.831 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.726 2.108 -1.575 1.00 0.00 H new ATOM 264 N ASN A 33 10.303 6.436 0.078 1.00 0.00 N ATOM 265 CA ASN A 33 10.314 7.798 0.670 1.00 0.00 C ATOM 266 C ASN A 33 11.220 8.755 -0.104 1.00 0.00 C ATOM 267 O ASN A 33 10.758 9.695 -0.720 1.00 0.00 O ATOM 268 CB ASN A 33 10.856 7.678 2.103 1.00 0.00 C ATOM 269 CG ASN A 33 10.555 8.965 2.870 1.00 0.00 C ATOM 270 OD1 ASN A 33 11.403 9.821 3.027 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.361 9.141 3.364 1.00 0.00 N ATOM 0 H ASN A 33 10.524 5.681 0.727 1.00 0.00 H new ATOM 0 HA ASN A 33 9.300 8.197 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.398 6.826 2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.931 7.497 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.143 9.994 3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.645 8.426 3.235 1.00 0.00 H new ATOM 278 N GLU A 34 12.497 8.494 -0.050 1.00 0.00 N ATOM 279 CA GLU A 34 13.470 9.368 -0.766 1.00 0.00 C ATOM 280 C GLU A 34 12.974 9.808 -2.138 1.00 0.00 C ATOM 281 O GLU A 34 13.457 10.784 -2.676 1.00 0.00 O ATOM 282 CB GLU A 34 14.779 8.591 -0.944 1.00 0.00 C ATOM 283 CG GLU A 34 15.451 8.425 0.421 1.00 0.00 C ATOM 284 CD GLU A 34 16.266 9.682 0.739 1.00 0.00 C ATOM 285 OE1 GLU A 34 15.629 10.684 1.020 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.480 9.568 0.682 1.00 0.00 O ATOM 0 H GLU A 34 12.910 7.713 0.459 1.00 0.00 H new ATOM 0 HA GLU A 34 13.609 10.268 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.580 7.615 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.442 9.122 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.699 8.261 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.099 7.549 0.416 1.00 0.00 H new ATOM 293 N LYS A 35 12.028 9.093 -2.684 1.00 0.00 N ATOM 294 CA LYS A 35 11.513 9.485 -4.028 1.00 0.00 C ATOM 295 C LYS A 35 10.222 10.270 -3.932 1.00 0.00 C ATOM 296 O LYS A 35 10.014 11.222 -4.659 1.00 0.00 O ATOM 297 CB LYS A 35 11.249 8.227 -4.837 1.00 0.00 C ATOM 298 CG LYS A 35 11.791 8.431 -6.256 1.00 0.00 C ATOM 299 CD LYS A 35 11.082 9.630 -6.908 1.00 0.00 C ATOM 300 CE LYS A 35 11.020 9.414 -8.422 1.00 0.00 C ATOM 301 NZ LYS A 35 12.368 9.063 -8.954 1.00 0.00 N ATOM 0 H LYS A 35 11.595 8.269 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 35 12.264 10.116 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.731 7.369 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.180 8.015 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.867 8.604 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.630 7.532 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.076 9.738 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.618 10.552 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.312 8.618 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.654 10.317 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.402 9.265 -9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.092 9.627 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.552 8.052 -8.795 1.00 0.00 H new ATOM 315 N LEU A 36 9.379 9.866 -3.044 1.00 0.00 N ATOM 316 CA LEU A 36 8.092 10.582 -2.894 1.00 0.00 C ATOM 317 C LEU A 36 8.276 11.909 -2.160 1.00 0.00 C ATOM 318 O LEU A 36 7.328 12.641 -1.953 1.00 0.00 O ATOM 319 CB LEU A 36 7.134 9.703 -2.083 1.00 0.00 C ATOM 320 CG LEU A 36 6.879 8.404 -2.849 1.00 0.00 C ATOM 321 CD1 LEU A 36 5.980 7.496 -2.009 1.00 0.00 C ATOM 322 CD2 LEU A 36 6.178 8.708 -4.176 1.00 0.00 C ATOM 0 H LEU A 36 9.520 9.075 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 36 7.693 10.788 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.561 9.485 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.195 10.229 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 36 7.831 7.912 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.794 6.568 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.472 7.273 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.033 8.000 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.000 7.777 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.226 9.201 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.808 9.362 -4.779 1.00 0.00 H new ATOM 334 N ARG A 37 9.491 12.197 -1.777 1.00 0.00 N ATOM 335 CA ARG A 37 9.741 13.474 -1.057 1.00 0.00 C ATOM 336 C ARG A 37 9.520 14.672 -1.976 1.00 0.00 C ATOM 337 O ARG A 37 9.457 15.800 -1.527 1.00 0.00 O ATOM 338 CB ARG A 37 11.200 13.480 -0.559 1.00 0.00 C ATOM 339 CG ARG A 37 12.154 13.538 -1.757 1.00 0.00 C ATOM 340 CD ARG A 37 12.747 14.946 -1.856 1.00 0.00 C ATOM 341 NE ARG A 37 13.515 15.061 -3.130 1.00 0.00 N ATOM 342 CZ ARG A 37 14.792 15.333 -3.085 1.00 0.00 C ATOM 343 NH1 ARG A 37 15.637 14.360 -2.880 1.00 0.00 N ATOM 344 NH2 ARG A 37 15.181 16.568 -3.246 1.00 0.00 N ATOM 0 H ARG A 37 10.311 11.610 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 37 9.047 13.550 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.368 14.336 0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.397 12.585 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.950 12.802 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.621 13.289 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.953 15.692 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.399 15.141 -1.004 1.00 0.00 H new ATOM 0 HE ARG A 37 13.048 14.929 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.297 13.406 -2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.638 14.553 -2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.492 17.303 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.174 16.798 -3.214 1.00 0.00 H new ATOM 358 N ASP A 38 9.407 14.404 -3.246 1.00 0.00 N ATOM 359 CA ASP A 38 9.189 15.510 -4.213 1.00 0.00 C ATOM 360 C ASP A 38 8.319 15.046 -5.374 1.00 0.00 C ATOM 361 O ASP A 38 8.808 14.800 -6.459 1.00 0.00 O ATOM 362 CB ASP A 38 10.552 15.954 -4.767 1.00 0.00 C ATOM 363 CG ASP A 38 10.341 17.078 -5.785 1.00 0.00 C ATOM 364 OD1 ASP A 38 10.059 18.175 -5.330 1.00 0.00 O ATOM 365 OD2 ASP A 38 10.472 16.777 -6.960 1.00 0.00 O ATOM 0 H ASP A 38 9.456 13.470 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 38 8.688 16.333 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.193 16.298 -3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.058 15.111 -5.238 1.00 0.00 H new ATOM 370 N THR A 39 7.044 14.934 -5.126 1.00 0.00 N ATOM 371 CA THR A 39 6.129 14.487 -6.203 1.00 0.00 C ATOM 372 C THR A 39 4.772 15.159 -6.077 1.00 0.00 C ATOM 373 O THR A 39 4.564 15.992 -5.217 1.00 0.00 O ATOM 374 CB THR A 39 5.934 12.975 -6.074 1.00 0.00 C ATOM 375 OG1 THR A 39 6.736 12.595 -4.979 1.00 0.00 O ATOM 376 CG2 THR A 39 6.542 12.234 -7.276 1.00 0.00 C ATOM 0 H THR A 39 6.601 15.132 -4.229 1.00 0.00 H new ATOM 0 HA THR A 39 6.564 14.751 -7.167 1.00 0.00 H new ATOM 0 HB THR A 39 4.872 12.745 -5.987 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.162 12.340 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.389 11.161 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.059 12.571 -8.193 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.610 12.444 -7.331 1.00 0.00 H new ATOM 384 N ALA A 40 3.871 14.783 -6.938 1.00 0.00 N ATOM 385 CA ALA A 40 2.523 15.386 -6.888 1.00 0.00 C ATOM 386 C ALA A 40 1.808 14.994 -5.603 1.00 0.00 C ATOM 387 O ALA A 40 2.396 14.400 -4.720 1.00 0.00 O ATOM 388 CB ALA A 40 1.714 14.860 -8.082 1.00 0.00 C ATOM 0 H ALA A 40 4.013 14.087 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 40 2.614 16.472 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.714 15.294 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.213 15.138 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.640 13.774 -8.021 1.00 0.00 H new ATOM 394 N ASP A 41 0.553 15.333 -5.526 1.00 0.00 N ATOM 395 CA ASP A 41 -0.225 14.994 -4.312 1.00 0.00 C ATOM 396 C ASP A 41 -1.051 13.731 -4.537 1.00 0.00 C ATOM 397 O ASP A 41 -2.247 13.720 -4.318 1.00 0.00 O ATOM 398 CB ASP A 41 -1.176 16.168 -4.015 1.00 0.00 C ATOM 399 CG ASP A 41 -1.480 16.209 -2.517 1.00 0.00 C ATOM 400 OD1 ASP A 41 -2.126 15.276 -2.069 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.049 17.172 -1.904 1.00 0.00 O ATOM 0 H ASP A 41 0.036 15.829 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 41 0.456 14.818 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.722 17.107 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.100 16.054 -4.582 1.00 0.00 H new ATOM 406 N GLY A 42 -0.400 12.681 -4.967 1.00 0.00 N ATOM 407 CA GLY A 42 -1.147 11.413 -5.210 1.00 0.00 C ATOM 408 C GLY A 42 -0.282 10.407 -5.979 1.00 0.00 C ATOM 409 O GLY A 42 -0.689 9.888 -7.000 1.00 0.00 O ATOM 0 H GLY A 42 0.601 12.646 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.456 10.980 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.055 11.624 -5.774 1.00 0.00 H new ATOM 413 N THR A 43 0.891 10.154 -5.471 1.00 0.00 N ATOM 414 CA THR A 43 1.797 9.187 -6.152 1.00 0.00 C ATOM 415 C THR A 43 1.561 7.784 -5.601 1.00 0.00 C ATOM 416 O THR A 43 1.073 7.645 -4.505 1.00 0.00 O ATOM 417 CB THR A 43 3.234 9.601 -5.833 1.00 0.00 C ATOM 418 OG1 THR A 43 3.224 11.013 -5.825 1.00 0.00 O ATOM 419 CG2 THR A 43 4.195 9.230 -6.972 1.00 0.00 C ATOM 0 H THR A 43 1.261 10.572 -4.618 1.00 0.00 H new ATOM 0 HA THR A 43 1.612 9.187 -7.226 1.00 0.00 H new ATOM 0 HB THR A 43 3.549 9.122 -4.906 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.101 11.344 -6.739 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.207 9.540 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.175 8.151 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.887 9.735 -7.887 1.00 0.00 H new ATOM 427 N PHE A 44 1.902 6.763 -6.360 1.00 0.00 N ATOM 428 CA PHE A 44 1.678 5.383 -5.833 1.00 0.00 C ATOM 429 C PHE A 44 2.692 4.377 -6.365 1.00 0.00 C ATOM 430 O PHE A 44 2.962 4.313 -7.547 1.00 0.00 O ATOM 431 CB PHE A 44 0.255 4.926 -6.202 1.00 0.00 C ATOM 432 CG PHE A 44 0.104 4.784 -7.717 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.073 5.901 -8.530 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.081 3.534 -8.289 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.148 5.768 -9.886 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.300 3.411 -9.641 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.333 4.523 -10.437 1.00 0.00 C ATOM 0 H PHE A 44 2.313 6.825 -7.292 1.00 0.00 H new ATOM 0 HA PHE A 44 1.803 5.421 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.038 3.973 -5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.472 5.646 -5.826 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.222 6.882 -8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.053 2.651 -7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.176 6.645 -10.516 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.446 2.433 -10.076 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.504 4.422 -11.499 1.00 0.00 H new ATOM 447 N LEU A 45 3.236 3.603 -5.448 1.00 0.00 N ATOM 448 CA LEU A 45 4.239 2.579 -5.828 1.00 0.00 C ATOM 449 C LEU A 45 4.124 1.360 -4.887 1.00 0.00 C ATOM 450 O LEU A 45 3.083 1.156 -4.293 1.00 0.00 O ATOM 451 CB LEU A 45 5.660 3.209 -5.750 1.00 0.00 C ATOM 452 CG LEU A 45 5.740 4.247 -4.613 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.583 3.538 -3.268 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.109 4.930 -4.652 1.00 0.00 C ATOM 0 H LEU A 45 3.020 3.646 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 45 4.058 2.238 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.401 2.426 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.904 3.685 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 45 4.949 4.986 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.639 4.270 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.617 3.033 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.380 2.804 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.172 5.665 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.892 4.183 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.240 5.429 -5.612 1.00 0.00 H new ATOM 466 N VAL A 46 5.185 0.573 -4.767 1.00 0.00 N ATOM 467 CA VAL A 46 5.117 -0.627 -3.865 1.00 0.00 C ATOM 468 C VAL A 46 6.192 -0.597 -2.778 1.00 0.00 C ATOM 469 O VAL A 46 7.138 0.161 -2.835 1.00 0.00 O ATOM 470 CB VAL A 46 5.287 -1.911 -4.765 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.242 -2.953 -4.134 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.919 -2.572 -4.939 1.00 0.00 C ATOM 0 H VAL A 46 6.074 0.711 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 46 4.157 -0.632 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 46 5.711 -1.590 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.324 -3.817 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.227 -2.507 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.848 -3.270 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.021 -3.462 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.524 -2.854 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.235 -1.872 -5.419 1.00 0.00 H new ATOM 482 N ARG A 47 5.992 -1.434 -1.809 1.00 0.00 N ATOM 483 CA ARG A 47 6.922 -1.545 -0.680 1.00 0.00 C ATOM 484 C ARG A 47 7.071 -3.025 -0.360 1.00 0.00 C ATOM 485 O ARG A 47 6.212 -3.621 0.265 1.00 0.00 O ATOM 486 CB ARG A 47 6.323 -0.811 0.524 1.00 0.00 C ATOM 487 CG ARG A 47 7.453 -0.368 1.453 1.00 0.00 C ATOM 488 CD ARG A 47 8.183 -1.603 1.981 1.00 0.00 C ATOM 489 NE ARG A 47 8.839 -1.258 3.271 1.00 0.00 N ATOM 490 CZ ARG A 47 8.721 -2.069 4.285 1.00 0.00 C ATOM 491 NH1 ARG A 47 9.460 -3.144 4.322 1.00 0.00 N ATOM 492 NH2 ARG A 47 7.866 -1.779 5.230 1.00 0.00 N ATOM 0 H ARG A 47 5.192 -2.065 -1.758 1.00 0.00 H new ATOM 0 HA ARG A 47 7.892 -1.108 -0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.750 0.054 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.632 -1.464 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.148 0.279 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.051 0.214 2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.481 -2.425 2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.926 -1.940 1.258 1.00 0.00 H new ATOM 0 HE ARG A 47 9.376 -0.395 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.116 -3.338 3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.381 -3.790 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.304 -0.930 5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.760 -2.402 6.031 1.00 0.00 H new ATOM 506 N ASP A 48 8.148 -3.592 -0.812 1.00 0.00 N ATOM 507 CA ASP A 48 8.388 -5.033 -0.563 1.00 0.00 C ATOM 508 C ASP A 48 8.203 -5.441 0.884 1.00 0.00 C ATOM 509 O ASP A 48 8.650 -4.772 1.795 1.00 0.00 O ATOM 510 CB ASP A 48 9.824 -5.360 -0.972 1.00 0.00 C ATOM 511 CG ASP A 48 9.970 -6.875 -1.142 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.112 -7.429 -1.808 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.932 -7.390 -0.597 1.00 0.00 O ATOM 0 H ASP A 48 8.876 -3.117 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 48 7.651 -5.583 -1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.073 -4.852 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.521 -4.999 -0.216 1.00 0.00 H new ATOM 518 N ALA A 49 7.534 -6.557 1.058 1.00 0.00 N ATOM 519 CA ALA A 49 7.287 -7.071 2.420 1.00 0.00 C ATOM 520 C ALA A 49 8.226 -8.240 2.703 1.00 0.00 C ATOM 521 O ALA A 49 8.784 -8.819 1.794 1.00 0.00 O ATOM 522 CB ALA A 49 5.841 -7.578 2.487 1.00 0.00 C ATOM 0 H ALA A 49 7.152 -7.128 0.304 1.00 0.00 H new ATOM 0 HA ALA A 49 7.456 -6.281 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.636 -7.963 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.157 -6.758 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.700 -8.374 1.756 1.00 0.00 H new ATOM 616 N ASP A 56 2.198 -10.685 -0.338 1.00 0.00 N ATOM 617 CA ASP A 56 2.940 -10.066 -1.451 1.00 0.00 C ATOM 618 C ASP A 56 3.778 -8.886 -0.948 1.00 0.00 C ATOM 619 O ASP A 56 4.895 -9.070 -0.510 1.00 0.00 O ATOM 620 CB ASP A 56 1.919 -9.580 -2.491 1.00 0.00 C ATOM 621 CG ASP A 56 1.814 -10.610 -3.618 1.00 0.00 C ATOM 622 OD1 ASP A 56 2.711 -10.599 -4.446 1.00 0.00 O ATOM 623 OD2 ASP A 56 0.843 -11.349 -3.588 1.00 0.00 O ATOM 0 HA ASP A 56 3.619 -10.794 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.945 -9.437 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.224 -8.614 -2.893 1.00 0.00 H new ATOM 628 N TYR A 57 3.218 -7.701 -1.007 1.00 0.00 N ATOM 629 CA TYR A 57 3.962 -6.511 -0.541 1.00 0.00 C ATOM 630 C TYR A 57 3.062 -5.555 0.207 1.00 0.00 C ATOM 631 O TYR A 57 2.190 -5.952 0.953 1.00 0.00 O ATOM 632 CB TYR A 57 4.507 -5.781 -1.766 1.00 0.00 C ATOM 633 CG TYR A 57 5.083 -6.801 -2.742 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.098 -7.644 -2.348 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.591 -6.899 -4.026 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.615 -8.571 -3.220 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.108 -7.825 -4.900 1.00 0.00 C ATOM 638 CZ TYR A 57 6.125 -8.672 -4.507 1.00 0.00 C ATOM 639 OH TYR A 57 6.643 -9.600 -5.387 1.00 0.00 O ATOM 0 H TYR A 57 2.279 -7.517 -1.359 1.00 0.00 H new ATOM 0 HA TYR A 57 4.758 -6.840 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.713 -5.208 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.277 -5.070 -1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.491 -7.576 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.794 -6.244 -4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.411 -9.226 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.715 -7.891 -5.904 1.00 0.00 H new ATOM 0 HH TYR A 57 6.178 -9.531 -6.247 1.00 0.00 H new ATOM 649 N THR A 58 3.304 -4.307 -0.015 1.00 0.00 N ATOM 650 CA THR A 58 2.506 -3.265 0.647 1.00 0.00 C ATOM 651 C THR A 58 2.411 -2.029 -0.238 1.00 0.00 C ATOM 652 O THR A 58 3.408 -1.398 -0.532 1.00 0.00 O ATOM 653 CB THR A 58 3.221 -2.898 1.937 1.00 0.00 C ATOM 654 OG1 THR A 58 2.587 -3.662 2.940 1.00 0.00 O ATOM 655 CG2 THR A 58 2.948 -1.434 2.331 1.00 0.00 C ATOM 0 H THR A 58 4.034 -3.961 -0.638 1.00 0.00 H new ATOM 0 HA THR A 58 1.497 -3.630 0.841 1.00 0.00 H new ATOM 0 HB THR A 58 4.292 -3.062 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.319 -4.529 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.473 -1.203 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.300 -0.772 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.877 -1.290 2.475 1.00 0.00 H new ATOM 663 N LEU A 59 1.220 -1.709 -0.660 1.00 0.00 N ATOM 664 CA LEU A 59 1.061 -0.516 -1.525 1.00 0.00 C ATOM 665 C LEU A 59 1.251 0.755 -0.705 1.00 0.00 C ATOM 666 O LEU A 59 0.786 0.845 0.411 1.00 0.00 O ATOM 667 CB LEU A 59 -0.369 -0.517 -2.114 1.00 0.00 C ATOM 668 CG LEU A 59 -0.314 -0.778 -3.634 1.00 0.00 C ATOM 669 CD1 LEU A 59 0.053 -2.242 -3.897 1.00 0.00 C ATOM 670 CD2 LEU A 59 -1.691 -0.501 -4.238 1.00 0.00 C ATOM 0 H LEU A 59 0.362 -2.217 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 59 1.805 -0.546 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.971 -1.284 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.852 0.440 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 59 0.435 -0.127 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.090 -2.420 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.028 -2.457 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.698 -2.892 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.660 -0.683 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.429 -1.159 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.967 0.537 -4.054 1.00 0.00 H new ATOM 682 N THR A 60 1.942 1.709 -1.272 1.00 0.00 N ATOM 683 CA THR A 60 2.175 2.983 -0.548 1.00 0.00 C ATOM 684 C THR A 60 1.971 4.161 -1.489 1.00 0.00 C ATOM 685 O THR A 60 2.417 4.125 -2.619 1.00 0.00 O ATOM 686 CB THR A 60 3.611 2.997 -0.049 1.00 0.00 C ATOM 687 OG1 THR A 60 3.558 2.459 1.256 1.00 0.00 O ATOM 688 CG2 THR A 60 4.101 4.438 0.142 1.00 0.00 C ATOM 0 H THR A 60 2.353 1.657 -2.204 1.00 0.00 H new ATOM 0 HA THR A 60 1.476 3.063 0.284 1.00 0.00 H new ATOM 0 HB THR A 60 4.255 2.463 -0.748 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.460 2.438 1.638 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.131 4.428 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.052 4.968 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.469 4.944 0.872 1.00 0.00 H new ATOM 696 N LEU A 61 1.287 5.185 -1.017 1.00 0.00 N ATOM 697 CA LEU A 61 1.055 6.367 -1.897 1.00 0.00 C ATOM 698 C LEU A 61 1.280 7.677 -1.174 1.00 0.00 C ATOM 699 O LEU A 61 1.021 7.801 0.002 1.00 0.00 O ATOM 700 CB LEU A 61 -0.401 6.352 -2.417 1.00 0.00 C ATOM 701 CG LEU A 61 -1.221 5.272 -1.708 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.698 5.518 -2.001 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.839 3.872 -2.228 1.00 0.00 C ATOM 0 H LEU A 61 0.890 5.247 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 61 1.770 6.296 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.860 7.328 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.406 6.172 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.022 5.316 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.299 4.757 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.983 6.504 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.869 5.469 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.433 3.118 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.033 3.816 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.219 3.691 -2.041 1.00 0.00 H new ATOM 715 N ARG A 62 1.758 8.643 -1.914 1.00 0.00 N ATOM 716 CA ARG A 62 2.017 9.961 -1.323 1.00 0.00 C ATOM 717 C ARG A 62 0.754 10.795 -1.340 1.00 0.00 C ATOM 718 O ARG A 62 0.322 11.245 -2.392 1.00 0.00 O ATOM 719 CB ARG A 62 3.083 10.667 -2.176 1.00 0.00 C ATOM 720 CG ARG A 62 3.625 11.878 -1.415 1.00 0.00 C ATOM 721 CD ARG A 62 4.413 11.416 -0.176 1.00 0.00 C ATOM 722 NE ARG A 62 5.706 12.155 -0.119 1.00 0.00 N ATOM 723 CZ ARG A 62 6.549 11.898 0.844 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.941 10.666 1.028 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.973 12.880 1.592 1.00 0.00 N ATOM 0 H ARG A 62 1.977 8.562 -2.907 1.00 0.00 H new ATOM 0 HA ARG A 62 2.354 9.842 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.894 9.977 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.653 10.984 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.270 12.468 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.802 12.525 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.834 11.601 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.595 10.342 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 62 5.930 12.855 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.589 9.923 0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.599 10.447 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.645 13.830 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.632 12.697 2.349 1.00 0.00 H new ATOM 739 N LYS A 63 0.181 10.982 -0.174 1.00 0.00 N ATOM 740 CA LYS A 63 -1.064 11.786 -0.075 1.00 0.00 C ATOM 741 C LYS A 63 -0.828 13.039 0.753 1.00 0.00 C ATOM 742 O LYS A 63 -0.474 12.960 1.912 1.00 0.00 O ATOM 743 CB LYS A 63 -2.126 10.934 0.615 1.00 0.00 C ATOM 744 CG LYS A 63 -2.306 9.628 -0.162 1.00 0.00 C ATOM 745 CD LYS A 63 -3.383 8.780 0.517 1.00 0.00 C ATOM 746 CE LYS A 63 -4.737 9.076 -0.130 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.837 8.444 0.652 1.00 0.00 N ATOM 0 H LYS A 63 0.527 10.609 0.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.384 12.082 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.829 10.722 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.070 11.476 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.590 9.841 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.364 9.080 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.144 7.721 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.419 9.002 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.893 10.153 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.748 8.701 -1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.750 8.654 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.694 7.414 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.836 8.822 1.621 1.00 0.00 H new ATOM 761 N GLY A 64 -1.028 14.176 0.146 1.00 0.00 N ATOM 762 CA GLY A 64 -0.816 15.444 0.894 1.00 0.00 C ATOM 763 C GLY A 64 0.650 15.569 1.295 1.00 0.00 C ATOM 764 O GLY A 64 1.002 16.360 2.147 1.00 0.00 O ATOM 0 H GLY A 64 -1.325 14.281 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.107 16.294 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.448 15.463 1.782 1.00 0.00 H new ATOM 768 N GLY A 65 1.474 14.780 0.669 1.00 0.00 N ATOM 769 CA GLY A 65 2.925 14.826 0.991 1.00 0.00 C ATOM 770 C GLY A 65 3.246 13.810 2.083 1.00 0.00 C ATOM 771 O GLY A 65 4.394 13.595 2.419 1.00 0.00 O ATOM 0 H GLY A 65 1.207 14.107 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.512 14.611 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.202 15.827 1.321 1.00 0.00 H new ATOM 775 N ASN A 66 2.214 13.203 2.612 1.00 0.00 N ATOM 776 CA ASN A 66 2.417 12.195 3.682 1.00 0.00 C ATOM 777 C ASN A 66 2.289 10.791 3.117 1.00 0.00 C ATOM 778 O ASN A 66 1.255 10.419 2.599 1.00 0.00 O ATOM 779 CB ASN A 66 1.330 12.398 4.749 1.00 0.00 C ATOM 780 CG ASN A 66 1.807 11.802 6.076 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.621 12.378 6.771 1.00 0.00 O ATOM 782 ND2 ASN A 66 1.328 10.652 6.461 1.00 0.00 N ATOM 0 H ASN A 66 1.243 13.365 2.346 1.00 0.00 H new ATOM 0 HA ASN A 66 3.412 12.316 4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.117 13.460 4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.402 11.920 4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.637 10.240 7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.645 10.164 5.882 1.00 0.00 H new ATOM 789 N ASN A 67 3.340 10.034 3.222 1.00 0.00 N ATOM 790 CA ASN A 67 3.293 8.661 2.697 1.00 0.00 C ATOM 791 C ASN A 67 2.249 7.818 3.439 1.00 0.00 C ATOM 792 O ASN A 67 2.288 7.686 4.649 1.00 0.00 O ATOM 793 CB ASN A 67 4.696 8.037 2.871 1.00 0.00 C ATOM 794 CG ASN A 67 4.712 7.093 4.076 1.00 0.00 C ATOM 795 OD1 ASN A 67 4.450 5.913 3.957 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.011 7.574 5.252 1.00 0.00 N ATOM 0 H ASN A 67 4.224 10.312 3.648 1.00 0.00 H new ATOM 0 HA ASN A 67 3.007 8.683 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.973 7.491 1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.437 8.824 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.024 6.960 6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.232 8.564 5.357 1.00 0.00 H new ATOM 803 N LYS A 68 1.308 7.299 2.689 1.00 0.00 N ATOM 804 CA LYS A 68 0.244 6.460 3.304 1.00 0.00 C ATOM 805 C LYS A 68 0.532 4.994 3.014 1.00 0.00 C ATOM 806 O LYS A 68 0.706 4.607 1.876 1.00 0.00 O ATOM 807 CB LYS A 68 -1.117 6.851 2.669 1.00 0.00 C ATOM 808 CG LYS A 68 -2.282 6.549 3.646 1.00 0.00 C ATOM 809 CD LYS A 68 -2.640 5.058 3.583 1.00 0.00 C ATOM 810 CE LYS A 68 -3.885 4.804 4.438 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.060 4.496 3.574 1.00 0.00 N ATOM 0 H LYS A 68 1.234 7.422 1.679 1.00 0.00 H new ATOM 0 HA LYS A 68 0.215 6.617 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.114 7.911 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.262 6.300 1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.996 6.821 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.152 7.153 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.825 4.759 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.807 4.456 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.701 3.974 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.097 5.680 5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.895 4.327 4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.245 5.299 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.861 3.647 3.008 1.00 0.00 H new ATOM 825 N LEU A 69 0.581 4.205 4.045 1.00 0.00 N ATOM 826 CA LEU A 69 0.860 2.764 3.845 1.00 0.00 C ATOM 827 C LEU A 69 -0.424 1.957 3.680 1.00 0.00 C ATOM 828 O LEU A 69 -1.383 2.147 4.401 1.00 0.00 O ATOM 829 CB LEU A 69 1.616 2.254 5.085 1.00 0.00 C ATOM 830 CG LEU A 69 1.789 0.726 5.006 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.217 0.359 5.426 1.00 0.00 C ATOM 832 CD2 LEU A 69 0.800 0.056 5.967 1.00 0.00 C ATOM 0 H LEU A 69 0.441 4.495 5.013 1.00 0.00 H new ATOM 0 HA LEU A 69 1.449 2.641 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.592 2.736 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.069 2.520 5.989 1.00 0.00 H new ATOM 0 HG LEU A 69 1.603 0.388 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.346 -0.722 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.929 0.843 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.393 0.695 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.918 -1.026 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.996 0.394 6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.219 0.323 5.686 1.00 0.00 H new ATOM 844 N ILE A 70 -0.407 1.073 2.717 1.00 0.00 N ATOM 845 CA ILE A 70 -1.595 0.224 2.457 1.00 0.00 C ATOM 846 C ILE A 70 -1.150 -1.215 2.255 1.00 0.00 C ATOM 847 O ILE A 70 -0.366 -1.507 1.373 1.00 0.00 O ATOM 848 CB ILE A 70 -2.293 0.722 1.194 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.123 1.949 1.527 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.232 -0.386 0.681 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.004 2.951 0.389 1.00 0.00 C ATOM 0 H ILE A 70 0.386 0.906 2.098 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.281 0.276 3.303 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.551 0.974 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.166 1.669 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.778 2.395 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.738 -0.045 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.651 -1.280 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.972 -0.619 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.597 3.836 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.960 3.237 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.370 2.499 -0.533 1.00 0.00 H new ATOM 863 N LYS A 71 -1.657 -2.089 3.071 1.00 0.00 N ATOM 864 CA LYS A 71 -1.272 -3.514 2.946 1.00 0.00 C ATOM 865 C LYS A 71 -2.036 -4.231 1.834 1.00 0.00 C ATOM 866 O LYS A 71 -3.141 -3.871 1.490 1.00 0.00 O ATOM 867 CB LYS A 71 -1.591 -4.204 4.279 1.00 0.00 C ATOM 868 CG LYS A 71 -0.784 -3.534 5.402 1.00 0.00 C ATOM 869 CD LYS A 71 0.716 -3.771 5.175 1.00 0.00 C ATOM 870 CE LYS A 71 1.409 -3.912 6.534 1.00 0.00 C ATOM 871 NZ LYS A 71 1.157 -5.264 7.107 1.00 0.00 N ATOM 0 H LYS A 71 -2.320 -1.878 3.817 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.211 -3.561 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.658 -4.135 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.345 -5.264 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.993 -2.465 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.083 -3.938 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.869 -4.671 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.148 -2.941 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.481 -3.752 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.043 -3.146 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.823 -5.441 7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.182 -5.312 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.289 -5.984 6.369 1.00 0.00 H new ATOM 885 N ILE A 72 -1.402 -5.237 1.291 1.00 0.00 N ATOM 886 CA ILE A 72 -2.028 -6.029 0.200 1.00 0.00 C ATOM 887 C ILE A 72 -2.585 -7.326 0.797 1.00 0.00 C ATOM 888 O ILE A 72 -1.860 -8.061 1.439 1.00 0.00 O ATOM 889 CB ILE A 72 -0.907 -6.361 -0.804 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.784 -5.252 -1.865 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.200 -7.713 -1.487 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.844 -5.416 -2.969 1.00 0.00 C ATOM 0 H ILE A 72 -0.468 -5.544 1.562 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.837 -5.484 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 72 0.037 -6.428 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.897 -4.277 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.212 -5.277 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.404 -7.943 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.252 -8.498 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.151 -7.655 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.731 -4.618 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.713 -6.381 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.840 -5.365 -2.528 1.00 0.00 H new ATOM 904 N PHE A 73 -3.859 -7.603 0.581 1.00 0.00 N ATOM 905 CA PHE A 73 -4.415 -8.856 1.158 1.00 0.00 C ATOM 906 C PHE A 73 -4.279 -10.024 0.193 1.00 0.00 C ATOM 907 O PHE A 73 -5.023 -10.142 -0.757 1.00 0.00 O ATOM 908 CB PHE A 73 -5.906 -8.651 1.498 1.00 0.00 C ATOM 909 CG PHE A 73 -6.252 -7.155 1.505 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.444 -6.245 2.168 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.372 -6.693 0.836 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.751 -4.899 2.157 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.676 -5.345 0.827 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.863 -4.450 1.485 1.00 0.00 C ATOM 0 H PHE A 73 -4.511 -7.029 0.046 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.849 -9.089 2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.527 -9.171 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.127 -9.087 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.568 -6.591 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.013 -7.391 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.116 -4.197 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.552 -4.993 0.303 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.099 -3.396 1.473 1.00 0.00 H new ATOM 924 N HIS A 74 -3.312 -10.862 0.465 1.00 0.00 N ATOM 925 CA HIS A 74 -3.072 -12.047 -0.402 1.00 0.00 C ATOM 926 C HIS A 74 -3.527 -13.313 0.336 1.00 0.00 C ATOM 927 O HIS A 74 -3.796 -13.261 1.520 1.00 0.00 O ATOM 928 CB HIS A 74 -1.556 -12.132 -0.671 1.00 0.00 C ATOM 929 CG HIS A 74 -1.147 -13.590 -0.870 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.683 -14.330 0.021 1.00 0.00 N ATOM 931 CD2 HIS A 74 -1.197 -14.369 -2.007 1.00 0.00 C ATOM 932 CE1 HIS A 74 -0.433 -15.491 -0.423 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.729 -15.614 -1.716 1.00 0.00 N ATOM 0 H HIS A 74 -2.676 -10.773 1.257 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.625 -11.959 -1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.301 -11.549 -1.556 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.004 -11.701 0.164 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.525 -14.038 0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.551 -14.043 -2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.026 -16.290 0.179 1.00 0.00 H new ATOM 941 N ARG A 75 -3.611 -14.423 -0.370 1.00 0.00 N ATOM 942 CA ARG A 75 -4.050 -15.686 0.303 1.00 0.00 C ATOM 943 C ARG A 75 -3.151 -16.858 -0.073 1.00 0.00 C ATOM 944 O ARG A 75 -2.538 -17.468 0.783 1.00 0.00 O ATOM 945 CB ARG A 75 -5.490 -16.000 -0.143 1.00 0.00 C ATOM 946 CG ARG A 75 -6.037 -17.181 0.676 1.00 0.00 C ATOM 947 CD ARG A 75 -7.557 -17.045 0.795 1.00 0.00 C ATOM 948 NE ARG A 75 -8.150 -18.395 1.010 1.00 0.00 N ATOM 949 CZ ARG A 75 -9.431 -18.567 0.826 1.00 0.00 C ATOM 950 NH1 ARG A 75 -10.190 -17.518 0.664 1.00 0.00 N ATOM 951 NH2 ARG A 75 -9.910 -19.780 0.809 1.00 0.00 N ATOM 0 H ARG A 75 -3.398 -14.505 -1.364 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.993 -15.545 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.124 -15.124 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.508 -16.242 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.780 -18.124 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.582 -17.195 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.812 -16.385 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.966 -16.594 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.561 -19.177 1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.780 -16.584 0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.193 -17.632 0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.286 -20.577 0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.908 -19.932 0.666 1.00 0.00 H new ATOM 965 N ASP A 76 -3.088 -17.158 -1.344 1.00 0.00 N ATOM 966 CA ASP A 76 -2.231 -18.291 -1.788 1.00 0.00 C ATOM 967 C ASP A 76 -1.520 -17.961 -3.094 1.00 0.00 C ATOM 968 O ASP A 76 -0.722 -18.735 -3.583 1.00 0.00 O ATOM 969 CB ASP A 76 -3.126 -19.512 -2.011 1.00 0.00 C ATOM 970 CG ASP A 76 -2.546 -20.711 -1.258 1.00 0.00 C ATOM 971 OD1 ASP A 76 -2.889 -20.836 -0.093 1.00 0.00 O ATOM 972 OD2 ASP A 76 -1.792 -21.433 -1.887 1.00 0.00 O ATOM 0 H ASP A 76 -3.589 -16.671 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.479 -18.486 -1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.137 -19.304 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.196 -19.736 -3.075 1.00 0.00 H new ATOM 977 N GLY A 77 -1.822 -16.816 -3.634 1.00 0.00 N ATOM 978 CA GLY A 77 -1.173 -16.414 -4.911 1.00 0.00 C ATOM 979 C GLY A 77 -1.991 -15.322 -5.587 1.00 0.00 C ATOM 980 O GLY A 77 -1.530 -14.663 -6.498 1.00 0.00 O ATOM 0 H GLY A 77 -2.486 -16.144 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.162 -16.056 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.085 -17.276 -5.572 1.00 0.00 H new ATOM 984 N LYS A 78 -3.192 -15.153 -5.121 1.00 0.00 N ATOM 985 CA LYS A 78 -4.064 -14.122 -5.704 1.00 0.00 C ATOM 986 C LYS A 78 -3.911 -12.815 -4.940 1.00 0.00 C ATOM 987 O LYS A 78 -2.980 -12.654 -4.179 1.00 0.00 O ATOM 988 CB LYS A 78 -5.534 -14.614 -5.607 1.00 0.00 C ATOM 989 CG LYS A 78 -5.675 -15.626 -4.462 1.00 0.00 C ATOM 990 CD LYS A 78 -5.229 -17.019 -4.941 1.00 0.00 C ATOM 991 CE LYS A 78 -6.467 -17.864 -5.255 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.093 -19.041 -6.092 1.00 0.00 N ATOM 0 H LYS A 78 -3.603 -15.691 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.790 -13.950 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.199 -13.767 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.835 -15.073 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.070 -15.313 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.710 -15.662 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.602 -16.928 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.627 -17.505 -4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.930 -18.201 -4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.206 -17.258 -5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.942 -19.605 -6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.672 -18.713 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.404 -19.627 -5.579 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.817 -11.903 -5.162 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.733 -10.608 -4.456 1.00 0.00 C ATOM 1008 C TYR A 79 -6.076 -10.186 -3.930 1.00 0.00 C ATOM 1009 O TYR A 79 -7.104 -10.603 -4.424 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.267 -9.549 -5.448 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.774 -9.690 -5.661 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.887 -9.024 -4.847 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -2.294 -10.472 -6.680 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.531 -9.141 -5.057 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.941 -10.592 -6.893 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.046 -9.925 -6.083 1.00 0.00 C ATOM 1017 OH TYR A 79 1.313 -10.034 -6.296 1.00 0.00 O ATOM 0 H TYR A 79 -5.606 -12.004 -5.800 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.041 -10.714 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.794 -9.664 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.500 -8.553 -5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.255 -8.407 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.985 -10.999 -7.321 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.158 -8.615 -4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.577 -11.212 -7.699 1.00 0.00 H new ATOM 0 HH TYR A 79 1.794 -9.559 -5.587 1.00 0.00 H new ATOM 1027 N GLY A 80 -6.038 -9.362 -2.931 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.293 -8.871 -2.328 1.00 0.00 C ATOM 1029 C GLY A 80 -7.206 -7.369 -2.188 1.00 0.00 C ATOM 1030 O GLY A 80 -6.328 -6.852 -1.517 1.00 0.00 O ATOM 0 H GLY A 80 -5.183 -9.005 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.144 -9.144 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.450 -9.333 -1.353 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.103 -6.696 -2.843 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.100 -5.230 -2.771 1.00 0.00 C ATOM 1036 C PHE A 81 -9.511 -4.684 -2.860 1.00 0.00 C ATOM 1037 O PHE A 81 -9.825 -3.656 -2.292 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.290 -4.702 -3.955 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.260 -3.723 -3.428 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.171 -4.174 -2.708 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.433 -2.369 -3.606 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.278 -3.281 -2.172 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.540 -1.479 -3.071 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.462 -1.934 -2.352 1.00 0.00 C ATOM 0 H PHE A 81 -8.835 -7.105 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.666 -4.915 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.800 -5.524 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.945 -4.213 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.022 -5.234 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.279 -2.006 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.429 -3.639 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.684 -0.418 -3.215 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.760 -1.231 -1.929 1.00 0.00 H new ATOM 1054 N SER A 82 -10.336 -5.384 -3.570 1.00 0.00 N ATOM 1055 CA SER A 82 -11.740 -4.934 -3.719 1.00 0.00 C ATOM 1056 C SER A 82 -12.669 -6.114 -3.956 1.00 0.00 C ATOM 1057 O SER A 82 -13.863 -6.017 -3.749 1.00 0.00 O ATOM 1058 CB SER A 82 -11.821 -3.994 -4.924 1.00 0.00 C ATOM 1059 OG SER A 82 -12.313 -2.777 -4.384 1.00 0.00 O ATOM 0 H SER A 82 -10.101 -6.250 -4.055 1.00 0.00 H new ATOM 0 HA SER A 82 -12.048 -4.428 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.845 -3.857 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.487 -4.387 -5.692 1.00 0.00 H new ATOM 0 HG SER A 82 -11.804 -2.547 -3.579 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.096 -7.208 -4.384 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.909 -8.421 -4.649 1.00 0.00 C ATOM 1067 C ASP A 83 -12.583 -9.522 -3.615 1.00 0.00 C ATOM 1068 O ASP A 83 -11.599 -9.426 -2.909 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.531 -8.927 -6.050 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.654 -8.591 -7.037 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -13.746 -7.422 -7.374 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.354 -9.522 -7.400 1.00 0.00 O ATOM 0 H ASP A 83 -11.097 -7.309 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.971 -8.184 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.598 -8.467 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.364 -10.004 -6.026 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.444 -10.545 -3.522 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.223 -11.647 -2.571 1.00 0.00 C ATOM 1079 C PRO A 84 -12.003 -12.512 -2.970 1.00 0.00 C ATOM 1080 O PRO A 84 -12.018 -13.720 -2.826 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.521 -12.498 -2.655 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.361 -11.946 -3.844 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.701 -10.636 -4.299 1.00 0.00 C ATOM 0 HA PRO A 84 -13.017 -11.272 -1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.281 -13.550 -2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.084 -12.433 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.390 -12.666 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.392 -11.771 -3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.502 -10.647 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.348 -9.781 -4.104 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.968 -11.874 -3.453 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.758 -12.642 -3.858 1.00 0.00 C ATOM 1093 C LEU A 85 -10.129 -13.743 -4.847 1.00 0.00 C ATOM 1094 O LEU A 85 -10.043 -14.916 -4.543 1.00 0.00 O ATOM 1095 CB LEU A 85 -9.114 -13.281 -2.594 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.149 -12.274 -1.944 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.282 -12.340 -0.428 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.715 -12.628 -2.329 1.00 0.00 C ATOM 0 H LEU A 85 -10.910 -10.864 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.052 -11.964 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.889 -13.568 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.578 -14.190 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.392 -11.270 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.597 -11.626 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.305 -12.096 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.039 -13.346 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.029 -11.916 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.482 -13.634 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.609 -12.587 -3.413 1.00 0.00 H new ATOM 1110 N THR A 86 -10.540 -13.334 -6.020 1.00 0.00 N ATOM 1111 CA THR A 86 -10.924 -14.328 -7.051 1.00 0.00 C ATOM 1112 C THR A 86 -10.566 -13.817 -8.447 1.00 0.00 C ATOM 1113 O THR A 86 -10.932 -14.412 -9.442 1.00 0.00 O ATOM 1114 CB THR A 86 -12.439 -14.551 -6.970 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.705 -14.806 -5.605 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.841 -15.847 -7.689 1.00 0.00 C ATOM 0 H THR A 86 -10.624 -12.357 -6.302 1.00 0.00 H new ATOM 0 HA THR A 86 -10.387 -15.260 -6.872 1.00 0.00 H new ATOM 0 HB THR A 86 -12.962 -13.697 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.665 -14.957 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.920 -15.983 -7.618 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.552 -15.786 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.337 -16.693 -7.222 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.852 -12.713 -8.486 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.447 -12.127 -9.797 1.00 0.00 C ATOM 1126 C PHE A 87 -7.965 -12.382 -10.056 1.00 0.00 C ATOM 1127 O PHE A 87 -7.482 -12.193 -11.141 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.695 -10.619 -9.742 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.961 -10.032 -8.541 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.495 -10.134 -7.269 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.762 -9.372 -8.713 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.839 -9.581 -6.190 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.107 -8.820 -7.634 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.646 -8.924 -6.375 1.00 0.00 C ATOM 0 H PHE A 87 -9.535 -12.197 -7.665 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.026 -12.586 -10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.347 -10.148 -10.661 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.763 -10.417 -9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.432 -10.650 -7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.334 -9.287 -9.701 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.262 -9.664 -5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.169 -8.305 -7.778 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.132 -8.489 -5.530 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.298 -12.801 -9.026 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.834 -13.104 -9.098 1.00 0.00 C ATOM 1146 C ASN A 88 -5.017 -12.184 -10.027 1.00 0.00 C ATOM 1147 O ASN A 88 -4.383 -12.652 -10.951 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.664 -14.553 -9.583 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.595 -14.817 -10.759 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.406 -14.169 -11.865 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -7.503 -15.620 -10.679 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.712 -12.953 -8.106 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.444 -12.939 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.630 -14.728 -9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.884 -15.246 -8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.656 -16.132 -9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.113 -15.782 -11.480 1.00 0.00 H new ATOM 1158 N SER A 89 -5.046 -10.900 -9.780 1.00 0.00 N ATOM 1159 CA SER A 89 -4.248 -9.976 -10.668 1.00 0.00 C ATOM 1160 C SER A 89 -4.385 -8.513 -10.296 1.00 0.00 C ATOM 1161 O SER A 89 -5.474 -7.966 -10.184 1.00 0.00 O ATOM 1162 CB SER A 89 -4.656 -10.135 -12.126 1.00 0.00 C ATOM 1163 OG SER A 89 -5.878 -10.836 -12.091 1.00 0.00 O ATOM 0 H SER A 89 -5.569 -10.453 -9.027 1.00 0.00 H new ATOM 0 HA SER A 89 -3.208 -10.268 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.771 -9.166 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.902 -10.685 -12.689 1.00 0.00 H new ATOM 0 HG SER A 89 -5.704 -11.799 -12.136 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.257 -7.890 -10.174 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.246 -6.461 -9.813 1.00 0.00 C ATOM 1171 C VAL A 90 -3.313 -5.612 -11.056 1.00 0.00 C ATOM 1172 O VAL A 90 -4.103 -4.695 -11.148 1.00 0.00 O ATOM 1173 CB VAL A 90 -1.936 -6.149 -9.069 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.108 -4.852 -8.276 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.619 -7.290 -8.099 1.00 0.00 C ATOM 0 H VAL A 90 -2.339 -8.313 -10.310 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.107 -6.242 -9.182 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.123 -6.041 -9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.183 -4.624 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.345 -4.036 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.919 -4.970 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.691 -7.071 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.431 -7.392 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.509 -8.221 -8.656 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.490 -5.936 -11.998 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.486 -5.163 -13.248 1.00 0.00 C ATOM 1187 C VAL A 91 -3.893 -5.015 -13.755 1.00 0.00 C ATOM 1188 O VAL A 91 -4.270 -3.981 -14.251 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.641 -5.916 -14.285 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.161 -4.938 -15.368 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.431 -6.540 -13.581 1.00 0.00 C ATOM 0 H VAL A 91 -1.820 -6.704 -11.954 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.067 -4.172 -13.073 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.240 -6.698 -14.752 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.561 -5.475 -16.103 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.023 -4.489 -15.861 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.557 -4.155 -14.909 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.176 -7.078 -14.309 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.167 -5.754 -13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.774 -7.233 -12.813 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.648 -6.053 -13.615 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.044 -5.991 -14.082 1.00 0.00 C ATOM 1203 C GLU A 92 -6.821 -5.053 -13.179 1.00 0.00 C ATOM 1204 O GLU A 92 -7.544 -4.192 -13.645 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.656 -7.397 -14.006 1.00 0.00 C ATOM 1206 CG GLU A 92 -5.869 -8.334 -14.931 1.00 0.00 C ATOM 1207 CD GLU A 92 -6.411 -8.212 -16.356 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.563 -8.573 -16.531 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -5.642 -7.764 -17.191 1.00 0.00 O ATOM 0 H GLU A 92 -4.361 -6.939 -13.199 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.083 -5.629 -15.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.625 -7.766 -12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.704 -7.368 -14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.810 -8.079 -14.910 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.956 -9.364 -14.584 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.658 -5.234 -11.889 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.381 -4.354 -10.937 1.00 0.00 C ATOM 1218 C LEU A 93 -6.874 -2.928 -11.071 1.00 0.00 C ATOM 1219 O LEU A 93 -7.570 -2.053 -11.548 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.082 -4.856 -9.499 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.674 -3.882 -8.451 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.526 -4.668 -7.460 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.540 -3.196 -7.669 1.00 0.00 C ATOM 0 H LEU A 93 -6.062 -5.945 -11.466 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.451 -4.378 -11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.505 -5.851 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.005 -4.944 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.275 -3.133 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.945 -3.986 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.335 -5.168 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.907 -5.412 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.966 -2.513 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.942 -3.951 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.908 -2.638 -8.360 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.669 -2.728 -10.642 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.070 -1.389 -10.720 1.00 0.00 C ATOM 1237 C ILE A 94 -5.379 -0.718 -12.052 1.00 0.00 C ATOM 1238 O ILE A 94 -5.530 0.482 -12.115 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.535 -1.556 -10.531 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.060 -0.791 -9.290 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.751 -1.042 -11.778 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.329 0.723 -9.426 1.00 0.00 C ATOM 0 H ILE A 94 -5.070 -3.447 -10.236 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.487 -0.748 -9.944 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.337 -2.620 -10.404 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.570 -1.175 -8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.994 -0.961 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.681 -1.173 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.055 -1.609 -12.658 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.968 0.015 -11.934 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.981 1.236 -8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.798 1.110 -10.296 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.399 0.893 -9.549 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.462 -1.494 -13.093 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.763 -0.889 -14.412 1.00 0.00 C ATOM 1256 C ASN A 95 -7.183 -0.347 -14.437 1.00 0.00 C ATOM 1257 O ASN A 95 -7.418 0.777 -14.856 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.635 -1.970 -15.495 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.303 -1.477 -16.779 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.316 -0.300 -17.072 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.869 -2.346 -17.570 1.00 0.00 N ATOM 0 H ASN A 95 -5.336 -2.506 -13.088 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.064 -0.073 -14.594 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.584 -2.194 -15.680 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.103 -2.895 -15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.320 -2.035 -18.430 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.861 -3.337 -17.328 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.110 -1.147 -13.970 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.514 -0.691 -13.961 1.00 0.00 C ATOM 1270 C HIS A 96 -9.672 0.567 -13.123 1.00 0.00 C ATOM 1271 O HIS A 96 -10.619 1.309 -13.297 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.390 -1.804 -13.365 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.601 -2.033 -14.277 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -11.682 -2.927 -15.145 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.795 -1.340 -14.349 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -12.791 -2.880 -15.759 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.574 -1.894 -15.319 1.00 0.00 N ATOM 0 H HIS A 96 -7.948 -2.084 -13.601 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.818 -0.466 -14.983 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.814 -2.724 -13.267 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.720 -1.527 -12.364 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -13.067 -0.495 -13.734 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.070 -3.562 -16.549 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.509 -1.626 -15.627 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.740 0.795 -12.223 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.840 2.010 -11.374 1.00 0.00 C ATOM 1287 C TYR A 97 -8.015 3.143 -11.944 1.00 0.00 C ATOM 1288 O TYR A 97 -8.429 4.286 -11.918 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.323 1.679 -9.970 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.452 1.033 -9.168 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.624 1.725 -8.923 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.328 -0.254 -8.701 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.651 1.134 -8.228 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.356 -0.846 -8.004 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.528 -0.158 -7.761 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.557 -0.754 -7.067 1.00 0.00 O ATOM 0 H TYR A 97 -7.931 0.199 -12.048 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.883 2.323 -11.339 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.470 1.003 -10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.977 2.585 -9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.733 2.738 -9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.417 -0.805 -8.883 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.562 1.685 -8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.245 -1.858 -7.644 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.297 -1.665 -6.815 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.862 2.819 -12.445 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.011 3.873 -13.016 1.00 0.00 C ATOM 1308 C ARG A 98 -6.834 4.756 -13.936 1.00 0.00 C ATOM 1309 O ARG A 98 -6.718 5.961 -13.911 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.891 3.205 -13.826 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.538 3.603 -13.233 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.429 2.853 -13.969 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.325 3.387 -15.356 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.152 3.690 -15.841 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.446 4.616 -15.251 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.726 3.060 -16.902 1.00 0.00 N ATOM 0 H ARG A 98 -6.479 1.874 -12.481 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.591 4.484 -12.217 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.007 2.121 -13.805 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.948 3.511 -14.871 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.389 4.679 -13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.510 3.367 -12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.480 2.974 -13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.646 1.785 -13.991 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.164 3.515 -15.922 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.813 5.089 -14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.473 4.866 -15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.307 2.344 -17.338 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.188 3.284 -17.295 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.667 4.133 -14.725 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.512 4.918 -15.658 1.00 0.00 C ATOM 1332 C ASN A 99 -9.706 5.536 -14.931 1.00 0.00 C ATOM 1333 O ASN A 99 -10.248 6.534 -15.365 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.038 3.967 -16.738 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.463 4.365 -18.100 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.354 4.849 -18.204 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.186 4.175 -19.170 1.00 0.00 N ATOM 0 H ASN A 99 -7.796 3.122 -14.761 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.914 5.721 -16.089 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.758 2.941 -16.500 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.127 4.002 -16.768 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.819 4.433 -20.086 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.118 3.769 -19.090 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.087 4.929 -13.828 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.247 5.458 -13.048 1.00 0.00 C ATOM 1346 C GLU A 100 -10.807 6.083 -11.725 1.00 0.00 C ATOM 1347 O GLU A 100 -10.218 7.145 -11.701 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.195 4.289 -12.749 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.689 3.698 -14.070 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.100 3.136 -13.879 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.175 1.991 -13.464 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.022 3.884 -14.159 1.00 0.00 O ATOM 0 H GLU A 100 -9.646 4.096 -13.439 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.736 6.233 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.680 3.527 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.039 4.632 -12.151 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.693 4.464 -14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.014 2.910 -14.404 1.00 0.00 H new ATOM 1359 N SER A 101 -11.102 5.406 -10.643 1.00 0.00 N ATOM 1360 CA SER A 101 -10.714 5.943 -9.311 1.00 0.00 C ATOM 1361 C SER A 101 -11.245 5.049 -8.205 1.00 0.00 C ATOM 1362 O SER A 101 -12.327 4.509 -8.313 1.00 0.00 O ATOM 1363 CB SER A 101 -11.349 7.333 -9.141 1.00 0.00 C ATOM 1364 OG SER A 101 -10.358 8.233 -9.608 1.00 0.00 O ATOM 0 H SER A 101 -11.591 4.511 -10.628 1.00 0.00 H new ATOM 0 HA SER A 101 -9.627 5.992 -9.251 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.270 7.422 -9.717 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.604 7.529 -8.100 1.00 0.00 H new ATOM 0 HG SER A 101 -10.272 8.149 -10.581 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.484 4.903 -7.158 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.958 4.042 -6.053 1.00 0.00 C ATOM 1372 C LEU A 102 -11.805 4.851 -5.084 1.00 0.00 C ATOM 1373 O LEU A 102 -11.299 5.432 -4.138 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.741 3.459 -5.297 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.673 3.012 -6.310 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.493 3.969 -6.257 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.186 1.604 -5.957 1.00 0.00 C ATOM 0 H LEU A 102 -9.570 5.336 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.561 3.234 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.326 4.208 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.052 2.613 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.106 3.011 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.736 3.653 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.830 4.976 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.066 3.965 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.430 1.290 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.755 1.608 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.026 0.910 -5.988 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.446 8.678 -6.453 1.00 0.00 N ATOM 1535 CA LYS A 112 -6.982 8.246 -7.794 1.00 0.00 C ATOM 1536 C LYS A 112 -5.478 8.061 -7.791 1.00 0.00 C ATOM 1537 O LYS A 112 -4.797 8.563 -6.917 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.340 9.332 -8.842 1.00 0.00 C ATOM 1539 CG LYS A 112 -7.759 10.638 -8.142 1.00 0.00 C ATOM 1540 CD LYS A 112 -6.583 11.178 -7.322 1.00 0.00 C ATOM 1541 CE LYS A 112 -6.387 12.661 -7.641 1.00 0.00 C ATOM 1542 NZ LYS A 112 -7.645 13.419 -7.395 1.00 0.00 N ATOM 0 HA LYS A 112 -7.469 7.303 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.483 9.518 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.150 8.978 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.070 11.376 -8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.616 10.457 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.775 11.045 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.676 10.621 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.584 13.068 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.083 12.778 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.414 14.384 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.201 13.462 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.200 12.941 -6.657 1.00 0.00 H new ATOM 1556 N LEU A 113 -4.979 7.333 -8.753 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.511 7.114 -8.809 1.00 0.00 C ATOM 1558 C LEU A 113 -3.009 7.158 -10.257 1.00 0.00 C ATOM 1559 O LEU A 113 -2.583 6.165 -10.814 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.172 5.735 -8.156 1.00 0.00 C ATOM 1561 CG LEU A 113 -4.420 4.846 -8.085 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -4.847 4.455 -9.502 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.077 3.580 -7.302 1.00 0.00 C ATOM 0 H LEU A 113 -5.520 6.886 -9.494 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.010 7.910 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.396 5.234 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.773 5.890 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.231 5.385 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.734 3.823 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.073 5.354 -10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.039 3.909 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.956 2.939 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.272 3.047 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.758 3.850 -6.295 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.085 8.331 -10.842 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.628 8.496 -12.239 1.00 0.00 C ATOM 1577 C LEU A 114 -1.231 9.113 -12.288 1.00 0.00 C ATOM 1578 O LEU A 114 -0.874 9.778 -13.241 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.610 9.444 -12.945 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.848 8.656 -13.372 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.062 9.588 -13.391 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -4.621 8.096 -14.770 1.00 0.00 C ATOM 0 H LEU A 114 -3.446 9.177 -10.402 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.592 7.521 -12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.894 10.257 -12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.135 9.898 -13.815 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.027 7.841 -12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.946 9.028 -13.695 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.219 10.001 -12.395 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.886 10.400 -14.097 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.500 7.532 -15.083 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.449 8.916 -15.467 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.752 7.438 -14.762 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.467 8.880 -11.257 1.00 0.00 N ATOM 1595 CA TYR A 115 0.909 9.441 -11.219 1.00 0.00 C ATOM 1596 C TYR A 115 1.882 8.455 -10.566 1.00 0.00 C ATOM 1597 O TYR A 115 2.332 8.659 -9.455 1.00 0.00 O ATOM 1598 CB TYR A 115 0.859 10.726 -10.384 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.419 11.485 -10.743 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.615 11.178 -10.123 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.403 12.463 -11.714 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.775 11.840 -10.472 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.563 13.125 -12.063 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.757 12.818 -11.446 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.917 13.474 -11.798 1.00 0.00 O ATOM 0 H TYR A 115 -0.736 8.327 -10.443 1.00 0.00 H new ATOM 0 HA TYR A 115 1.256 9.638 -12.234 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.873 10.488 -9.320 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.735 11.343 -10.584 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.643 10.414 -9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.525 12.714 -12.206 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.703 11.591 -9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.535 13.889 -12.825 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.722 14.131 -12.498 1.00 0.00 H new ATOM 1615 N PRO A 116 2.188 7.389 -11.285 1.00 0.00 N ATOM 1616 CA PRO A 116 3.098 6.362 -10.796 1.00 0.00 C ATOM 1617 C PRO A 116 4.556 6.743 -11.025 1.00 0.00 C ATOM 1618 O PRO A 116 4.878 7.387 -12.004 1.00 0.00 O ATOM 1619 CB PRO A 116 2.781 5.140 -11.668 1.00 0.00 C ATOM 1620 CG PRO A 116 1.987 5.661 -12.907 1.00 0.00 C ATOM 1621 CD PRO A 116 1.624 7.125 -12.620 1.00 0.00 C ATOM 0 HA PRO A 116 2.971 6.201 -9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.698 4.640 -11.979 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.193 4.410 -11.111 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.589 5.583 -13.812 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.089 5.065 -13.069 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.048 7.793 -13.369 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.545 7.276 -12.632 1.00 0.00 H new ATOM 1629 N VAL A 117 5.408 6.332 -10.119 1.00 0.00 N ATOM 1630 CA VAL A 117 6.851 6.658 -10.267 1.00 0.00 C ATOM 1631 C VAL A 117 7.616 5.402 -10.651 1.00 0.00 C ATOM 1632 O VAL A 117 7.499 4.390 -9.999 1.00 0.00 O ATOM 1633 CB VAL A 117 7.390 7.154 -8.928 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.230 8.673 -8.846 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.604 6.500 -7.802 1.00 0.00 C ATOM 0 H VAL A 117 5.165 5.789 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 117 6.972 7.422 -11.035 1.00 0.00 H new ATOM 0 HB VAL A 117 8.445 6.896 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.615 9.028 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.786 9.142 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.175 8.933 -8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.984 6.850 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.550 6.763 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.714 5.417 -7.863 1.00 0.00 H new ATOM 1645 N SER A 118 8.369 5.476 -11.706 1.00 0.00 N ATOM 1646 CA SER A 118 9.129 4.300 -12.124 1.00 0.00 C ATOM 1647 C SER A 118 10.430 4.687 -12.812 1.00 0.00 C ATOM 1648 O SER A 118 10.673 5.845 -13.085 1.00 0.00 O ATOM 1649 CB SER A 118 8.268 3.547 -13.115 1.00 0.00 C ATOM 1650 OG SER A 118 7.352 4.519 -13.592 1.00 0.00 O ATOM 0 H SER A 118 8.484 6.305 -12.290 1.00 0.00 H new ATOM 0 HA SER A 118 9.379 3.701 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.866 3.132 -13.926 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.752 2.713 -12.640 1.00 0.00 H new ATOM 0 HG SER A 118 6.751 4.108 -14.248 1.00 0.00 H new