USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 164:sc= 0.00519 USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0123 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0042 USER MOD Single : A 11 SER OG : rot 165:sc= 0.402 USER MOD Single : A 14 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 0.135 (180deg=0.076) USER MOD Single : A 22 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -0.219 (180deg=-1.77!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -59:sc= 1.36 USER MOD Single : A 45 TYR OH : rot -78:sc= -0.251 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -127:sc= 0.321 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.7!) USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00409) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -51:sc= -0.364 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -4.08! C(o=-4.1!,f=-3.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.238 USER MOD Single : A 89 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= 0.446 (180deg=-0.139) USER MOD Single : A 100 SER OG : rot 46:sc= 0.859 USER MOD Single : A 102 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 ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.346 -6.293 22.689 1.00 0.00 N ATOM 2 CA GLY A 1 16.365 -6.925 23.551 1.00 0.00 C ATOM 3 C GLY A 1 15.641 -8.067 22.865 1.00 0.00 C ATOM 4 O GLY A 1 15.387 -8.016 21.662 1.00 0.00 O ATOM 0 H1 GLY A 1 17.206 -5.262 22.701 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.303 -6.517 23.030 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.233 -6.646 21.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.860 -7.299 24.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.638 -6.181 23.876 1.00 0.00 H new ATOM 8 N SER A 2 15.308 -9.100 23.632 1.00 0.00 N ATOM 9 CA SER A 2 14.614 -10.262 23.090 1.00 0.00 C ATOM 10 C SER A 2 13.241 -9.872 22.552 1.00 0.00 C ATOM 11 O SER A 2 12.432 -9.272 23.260 1.00 0.00 O ATOM 12 CB SER A 2 14.466 -11.342 24.164 1.00 0.00 C ATOM 13 OG SER A 2 14.278 -12.619 23.581 1.00 0.00 O ATOM 0 H SER A 2 15.508 -9.156 24.631 1.00 0.00 H new ATOM 0 HA SER A 2 15.209 -10.658 22.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.354 -11.355 24.796 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.619 -11.105 24.808 1.00 0.00 H new ATOM 0 HG SER A 2 14.188 -13.291 24.288 1.00 0.00 H new ATOM 19 N SER A 3 12.985 -10.218 21.295 1.00 0.00 N ATOM 20 CA SER A 3 11.711 -9.902 20.659 1.00 0.00 C ATOM 21 C SER A 3 10.931 -11.174 20.342 1.00 0.00 C ATOM 22 O SER A 3 11.478 -12.132 19.797 1.00 0.00 O ATOM 23 CB SER A 3 11.942 -9.099 19.377 1.00 0.00 C ATOM 24 OG SER A 3 12.364 -9.940 18.318 1.00 0.00 O ATOM 0 H SER A 3 13.643 -10.717 20.696 1.00 0.00 H new ATOM 0 HA SER A 3 11.125 -9.302 21.355 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.022 -8.587 19.094 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.693 -8.330 19.556 1.00 0.00 H new ATOM 0 HG SER A 3 12.503 -9.403 17.510 1.00 0.00 H new ATOM 30 N GLY A 4 9.647 -11.176 20.689 1.00 0.00 N ATOM 31 CA GLY A 4 8.812 -12.335 20.434 1.00 0.00 C ATOM 32 C GLY A 4 7.771 -12.075 19.363 1.00 0.00 C ATOM 33 O GLY A 4 7.037 -11.089 19.427 1.00 0.00 O ATOM 0 H GLY A 4 9.171 -10.396 21.142 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.441 -13.172 20.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.313 -12.630 21.357 1.00 0.00 H new ATOM 37 N SER A 5 7.708 -12.961 18.374 1.00 0.00 N ATOM 38 CA SER A 5 6.753 -12.820 17.281 1.00 0.00 C ATOM 39 C SER A 5 5.423 -13.477 17.634 1.00 0.00 C ATOM 40 O SER A 5 5.385 -14.504 18.311 1.00 0.00 O ATOM 41 CB SER A 5 7.317 -13.439 16.000 1.00 0.00 C ATOM 42 OG SER A 5 7.480 -14.840 16.140 1.00 0.00 O ATOM 0 H SER A 5 8.307 -13.784 18.307 1.00 0.00 H new ATOM 0 HA SER A 5 6.580 -11.756 17.117 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.648 -13.229 15.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.277 -12.980 15.762 1.00 0.00 H new ATOM 0 HG SER A 5 7.840 -15.212 15.308 1.00 0.00 H new ATOM 48 N SER A 6 4.332 -12.877 17.169 1.00 0.00 N ATOM 49 CA SER A 6 2.998 -13.401 17.438 1.00 0.00 C ATOM 50 C SER A 6 2.424 -14.087 16.202 1.00 0.00 C ATOM 51 O SER A 6 1.954 -15.222 16.270 1.00 0.00 O ATOM 52 CB SER A 6 2.066 -12.274 17.888 1.00 0.00 C ATOM 53 OG SER A 6 1.006 -12.776 18.684 1.00 0.00 O ATOM 0 H SER A 6 4.346 -12.028 16.604 1.00 0.00 H new ATOM 0 HA SER A 6 3.078 -14.138 18.237 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.632 -11.534 18.455 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.659 -11.764 17.015 1.00 0.00 H new ATOM 0 HG SER A 6 0.426 -12.036 18.960 1.00 0.00 H new ATOM 59 N GLY A 7 2.467 -13.389 15.071 1.00 0.00 N ATOM 60 CA GLY A 7 1.949 -13.946 13.835 1.00 0.00 C ATOM 61 C GLY A 7 0.449 -13.775 13.706 1.00 0.00 C ATOM 62 O GLY A 7 -0.318 -14.385 14.451 1.00 0.00 O ATOM 0 H GLY A 7 2.851 -12.448 14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.440 -13.465 12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.196 -15.006 13.786 1.00 0.00 H new ATOM 66 N MET A 8 0.029 -12.942 12.760 1.00 0.00 N ATOM 67 CA MET A 8 -1.391 -12.692 12.537 1.00 0.00 C ATOM 68 C MET A 8 -1.976 -13.710 11.564 1.00 0.00 C ATOM 69 O MET A 8 -1.248 -14.331 10.789 1.00 0.00 O ATOM 70 CB MET A 8 -1.603 -11.275 11.999 1.00 0.00 C ATOM 71 CG MET A 8 -3.066 -10.905 11.823 1.00 0.00 C ATOM 72 SD MET A 8 -3.316 -9.129 11.634 1.00 0.00 S ATOM 73 CE MET A 8 -3.384 -8.985 9.850 1.00 0.00 C ATOM 0 H MET A 8 0.651 -12.429 12.135 1.00 0.00 H new ATOM 0 HA MET A 8 -1.906 -12.791 13.492 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.136 -10.563 12.680 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.095 -11.180 11.040 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.464 -11.419 10.948 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.632 -11.258 12.685 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.535 -7.941 9.575 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.448 -9.342 9.420 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.210 -9.584 9.468 1.00 0.00 H new ATOM 83 N SER A 9 -3.293 -13.878 11.611 1.00 0.00 N ATOM 84 CA SER A 9 -3.975 -14.825 10.737 1.00 0.00 C ATOM 85 C SER A 9 -3.525 -14.649 9.290 1.00 0.00 C ATOM 86 O SER A 9 -2.779 -13.724 8.967 1.00 0.00 O ATOM 87 CB SER A 9 -5.491 -14.644 10.836 1.00 0.00 C ATOM 88 OG SER A 9 -5.912 -14.603 12.189 1.00 0.00 O ATOM 0 H SER A 9 -3.910 -13.370 12.245 1.00 0.00 H new ATOM 0 HA SER A 9 -3.715 -15.833 11.061 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.784 -13.723 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.993 -15.463 10.320 1.00 0.00 H new ATOM 0 HG SER A 9 -6.884 -14.485 12.226 1.00 0.00 H new ATOM 94 N LEU A 10 -3.983 -15.544 8.421 1.00 0.00 N ATOM 95 CA LEU A 10 -3.628 -15.490 7.007 1.00 0.00 C ATOM 96 C LEU A 10 -4.775 -14.917 6.180 1.00 0.00 C ATOM 97 O LEU A 10 -5.946 -15.137 6.489 1.00 0.00 O ATOM 98 CB LEU A 10 -3.264 -16.885 6.498 1.00 0.00 C ATOM 99 CG LEU A 10 -1.942 -17.462 7.007 1.00 0.00 C ATOM 100 CD1 LEU A 10 -0.793 -17.036 6.106 1.00 0.00 C ATOM 101 CD2 LEU A 10 -1.687 -17.026 8.442 1.00 0.00 C ATOM 0 H LEU A 10 -4.601 -16.316 8.671 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.764 -14.835 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.066 -17.571 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.229 -16.855 5.409 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.010 -18.550 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.140 -17.455 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.971 -17.399 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.723 -15.948 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.742 -17.446 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.639 -15.938 8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.497 -17.381 9.080 1.00 0.00 H new ATOM 113 N SER A 11 -4.429 -14.184 5.127 1.00 0.00 N ATOM 114 CA SER A 11 -5.429 -13.579 4.255 1.00 0.00 C ATOM 115 C SER A 11 -5.358 -14.172 2.851 1.00 0.00 C ATOM 116 O SER A 11 -4.296 -14.602 2.401 1.00 0.00 O ATOM 117 CB SER A 11 -5.231 -12.063 4.191 1.00 0.00 C ATOM 118 OG SER A 11 -6.028 -11.487 3.171 1.00 0.00 O ATOM 0 H SER A 11 -3.464 -13.995 4.857 1.00 0.00 H new ATOM 0 HA SER A 11 -6.414 -13.793 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.488 -11.619 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.181 -11.838 4.007 1.00 0.00 H new ATOM 0 HG SER A 11 -6.071 -10.516 3.298 1.00 0.00 H new ATOM 124 N ASP A 12 -6.495 -14.192 2.165 1.00 0.00 N ATOM 125 CA ASP A 12 -6.563 -14.731 0.812 1.00 0.00 C ATOM 126 C ASP A 12 -6.165 -13.675 -0.214 1.00 0.00 C ATOM 127 O ASP A 12 -5.407 -13.952 -1.143 1.00 0.00 O ATOM 128 CB ASP A 12 -7.972 -15.244 0.515 1.00 0.00 C ATOM 129 CG ASP A 12 -8.458 -16.238 1.552 1.00 0.00 C ATOM 130 OD1 ASP A 12 -7.867 -17.334 1.645 1.00 0.00 O ATOM 131 OD2 ASP A 12 -9.428 -15.919 2.271 1.00 0.00 O ATOM 0 H ASP A 12 -7.383 -13.841 2.524 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.861 -15.562 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.661 -14.401 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.984 -15.714 -0.468 1.00 0.00 H new ATOM 136 N TRP A 13 -6.683 -12.464 -0.040 1.00 0.00 N ATOM 137 CA TRP A 13 -6.383 -11.366 -0.953 1.00 0.00 C ATOM 138 C TRP A 13 -4.962 -10.857 -0.742 1.00 0.00 C ATOM 139 O TRP A 13 -4.573 -10.518 0.377 1.00 0.00 O ATOM 140 CB TRP A 13 -7.382 -10.225 -0.756 1.00 0.00 C ATOM 141 CG TRP A 13 -7.047 -8.999 -1.550 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.909 -8.250 -1.460 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.859 -8.379 -2.553 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.964 -7.202 -2.347 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.151 -7.259 -3.030 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.116 -8.662 -3.096 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.658 -6.425 -4.022 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.618 -7.833 -4.080 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.890 -6.725 -4.536 1.00 0.00 C ATOM 0 H TRP A 13 -7.312 -12.218 0.724 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.467 -11.740 -1.973 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.377 -10.570 -1.037 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.421 -9.965 0.302 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.086 -8.452 -0.790 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.239 -6.496 -2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.684 -9.514 -2.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.099 -5.571 -4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.588 -8.042 -4.506 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.310 -6.096 -5.308 1.00 0.00 H new ATOM 160 N HIS A 14 -4.190 -10.803 -1.823 1.00 0.00 N ATOM 161 CA HIS A 14 -2.811 -10.333 -1.755 1.00 0.00 C ATOM 162 C HIS A 14 -2.550 -9.263 -2.811 1.00 0.00 C ATOM 163 O HIS A 14 -3.332 -9.095 -3.747 1.00 0.00 O ATOM 164 CB HIS A 14 -1.842 -11.501 -1.945 1.00 0.00 C ATOM 165 CG HIS A 14 -1.588 -11.840 -3.382 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.341 -12.759 -4.082 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.659 -11.377 -4.250 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.884 -12.847 -5.319 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.864 -12.018 -5.447 1.00 0.00 N ATOM 0 H HIS A 14 -4.496 -11.079 -2.756 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.650 -9.894 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.894 -11.258 -1.464 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.241 -12.380 -1.438 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.102 -10.640 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.278 -13.488 -6.094 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.317 -11.877 -6.297 1.00 0.00 H new ATOM 178 N LEU A 15 -1.446 -8.541 -2.653 1.00 0.00 N ATOM 179 CA LEU A 15 -1.081 -7.486 -3.592 1.00 0.00 C ATOM 180 C LEU A 15 0.433 -7.317 -3.660 1.00 0.00 C ATOM 181 O LEU A 15 1.151 -7.680 -2.729 1.00 0.00 O ATOM 182 CB LEU A 15 -1.735 -6.164 -3.184 1.00 0.00 C ATOM 183 CG LEU A 15 -1.897 -5.124 -4.293 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.951 -5.571 -5.295 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.258 -3.768 -3.705 1.00 0.00 C ATOM 0 H LEU A 15 -0.788 -8.667 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.441 -7.773 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.720 -6.381 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.144 -5.722 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.946 -5.028 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.052 -4.818 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.650 -6.519 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.907 -5.697 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.369 -3.041 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.196 -3.848 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.468 -3.443 -3.028 1.00 0.00 H new ATOM 197 N ALA A 16 0.912 -6.760 -4.768 1.00 0.00 N ATOM 198 CA ALA A 16 2.340 -6.539 -4.956 1.00 0.00 C ATOM 199 C ALA A 16 2.727 -5.110 -4.592 1.00 0.00 C ATOM 200 O ALA A 16 1.909 -4.194 -4.677 1.00 0.00 O ATOM 201 CB ALA A 16 2.737 -6.846 -6.393 1.00 0.00 C ATOM 0 H ALA A 16 0.331 -6.454 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 16 2.878 -7.214 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.806 -6.677 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.505 -7.887 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.184 -6.195 -7.070 1.00 0.00 H new ATOM 207 N VAL A 17 3.979 -4.926 -4.186 1.00 0.00 N ATOM 208 CA VAL A 17 4.474 -3.607 -3.809 1.00 0.00 C ATOM 209 C VAL A 17 5.848 -3.342 -4.415 1.00 0.00 C ATOM 210 O VAL A 17 6.713 -4.218 -4.427 1.00 0.00 O ATOM 211 CB VAL A 17 4.563 -3.457 -2.279 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.091 -2.080 -1.907 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.205 -3.706 -1.640 1.00 0.00 C ATOM 0 H VAL A 17 4.669 -5.673 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 17 3.762 -2.879 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 17 5.261 -4.203 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.147 -1.993 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.085 -1.944 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.420 -1.315 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.286 -3.596 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.484 -2.985 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.871 -4.716 -1.878 1.00 0.00 H new ATOM 223 N LYS A 18 6.043 -2.128 -4.918 1.00 0.00 N ATOM 224 CA LYS A 18 7.312 -1.745 -5.524 1.00 0.00 C ATOM 225 C LYS A 18 7.700 -0.324 -5.125 1.00 0.00 C ATOM 226 O LYS A 18 6.837 0.524 -4.896 1.00 0.00 O ATOM 227 CB LYS A 18 7.226 -1.852 -7.048 1.00 0.00 C ATOM 228 CG LYS A 18 7.367 -3.272 -7.567 1.00 0.00 C ATOM 229 CD LYS A 18 8.820 -3.716 -7.589 1.00 0.00 C ATOM 230 CE LYS A 18 9.689 -2.742 -8.369 1.00 0.00 C ATOM 231 NZ LYS A 18 10.912 -3.399 -8.909 1.00 0.00 N ATOM 0 H LYS A 18 5.337 -1.392 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 18 8.080 -2.428 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.270 -1.446 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.006 -1.233 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.788 -3.949 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.951 -3.336 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.192 -3.799 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.892 -4.708 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.112 -2.318 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.977 -1.914 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.614 -2.674 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.313 -4.033 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.665 -3.950 -9.756 1.00 0.00 H new ATOM 245 N LEU A 19 9.001 -0.071 -5.045 1.00 0.00 N ATOM 246 CA LEU A 19 9.503 1.248 -4.675 1.00 0.00 C ATOM 247 C LEU A 19 9.870 2.058 -5.914 1.00 0.00 C ATOM 248 O LEU A 19 10.793 1.705 -6.648 1.00 0.00 O ATOM 249 CB LEU A 19 10.722 1.113 -3.760 1.00 0.00 C ATOM 250 CG LEU A 19 11.036 2.323 -2.879 1.00 0.00 C ATOM 251 CD1 LEU A 19 9.903 2.576 -1.897 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.350 2.116 -2.140 1.00 0.00 C ATOM 0 H LEU A 19 9.728 -0.762 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 19 8.712 1.774 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.573 0.247 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.594 0.903 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 19 11.136 3.200 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.144 3.441 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.981 2.768 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.770 1.701 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.558 2.986 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.278 1.229 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.156 1.984 -2.861 1.00 0.00 H new ATOM 264 N ALA A 20 9.142 3.147 -6.140 1.00 0.00 N ATOM 265 CA ALA A 20 9.393 4.010 -7.287 1.00 0.00 C ATOM 266 C ALA A 20 10.791 4.616 -7.222 1.00 0.00 C ATOM 267 O ALA A 20 11.448 4.797 -8.248 1.00 0.00 O ATOM 268 CB ALA A 20 8.342 5.107 -7.362 1.00 0.00 C ATOM 0 H ALA A 20 8.373 3.452 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 20 9.331 3.402 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.542 5.744 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.354 4.658 -7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.376 5.706 -6.452 1.00 0.00 H new ATOM 274 N ASP A 21 11.239 4.929 -6.011 1.00 0.00 N ATOM 275 CA ASP A 21 12.560 5.515 -5.813 1.00 0.00 C ATOM 276 C ASP A 21 13.656 4.490 -6.087 1.00 0.00 C ATOM 277 O ASP A 21 14.783 4.850 -6.428 1.00 0.00 O ATOM 278 CB ASP A 21 12.693 6.053 -4.388 1.00 0.00 C ATOM 279 CG ASP A 21 13.730 7.154 -4.279 1.00 0.00 C ATOM 280 OD1 ASP A 21 13.464 8.270 -4.772 1.00 0.00 O ATOM 281 OD2 ASP A 21 14.808 6.899 -3.702 1.00 0.00 O ATOM 0 H ASP A 21 10.707 4.787 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 21 12.674 6.339 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.727 6.433 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.963 5.236 -3.718 1.00 0.00 H new ATOM 286 N GLN A 22 13.317 3.214 -5.935 1.00 0.00 N ATOM 287 CA GLN A 22 14.274 2.138 -6.165 1.00 0.00 C ATOM 288 C GLN A 22 13.652 1.027 -7.005 1.00 0.00 C ATOM 289 O GLN A 22 13.107 0.053 -6.484 1.00 0.00 O ATOM 290 CB GLN A 22 14.767 1.571 -4.832 1.00 0.00 C ATOM 291 CG GLN A 22 15.105 2.640 -3.805 1.00 0.00 C ATOM 292 CD GLN A 22 15.956 2.108 -2.669 1.00 0.00 C ATOM 293 OE1 GLN A 22 16.981 1.463 -2.895 1.00 0.00 O ATOM 294 NE2 GLN A 22 15.536 2.376 -1.439 1.00 0.00 N ATOM 0 H GLN A 22 12.388 2.900 -5.654 1.00 0.00 H new ATOM 0 HA GLN A 22 15.122 2.551 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.001 0.913 -4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.651 0.959 -5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.632 3.458 -4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.182 3.054 -3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.681 2.914 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.068 2.044 -0.635 1.00 0.00 H new ATOM 303 N PRO A 23 13.734 1.173 -8.335 1.00 0.00 N ATOM 304 CA PRO A 23 13.185 0.191 -9.275 1.00 0.00 C ATOM 305 C PRO A 23 13.970 -1.116 -9.272 1.00 0.00 C ATOM 306 O PRO A 23 13.587 -2.083 -9.932 1.00 0.00 O ATOM 307 CB PRO A 23 13.313 0.889 -10.632 1.00 0.00 C ATOM 308 CG PRO A 23 14.434 1.854 -10.457 1.00 0.00 C ATOM 309 CD PRO A 23 14.370 2.308 -9.025 1.00 0.00 C ATOM 0 HA PRO A 23 12.163 -0.091 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.527 0.174 -11.426 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.389 1.400 -10.903 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.392 1.382 -10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.332 2.698 -11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.362 2.517 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.785 3.222 -8.919 1.00 0.00 H new ATOM 317 N LEU A 24 15.069 -1.139 -8.526 1.00 0.00 N ATOM 318 CA LEU A 24 15.908 -2.329 -8.437 1.00 0.00 C ATOM 319 C LEU A 24 15.589 -3.127 -7.177 1.00 0.00 C ATOM 320 O LEU A 24 15.812 -4.336 -7.123 1.00 0.00 O ATOM 321 CB LEU A 24 17.386 -1.937 -8.445 1.00 0.00 C ATOM 322 CG LEU A 24 17.831 -1.020 -9.585 1.00 0.00 C ATOM 323 CD1 LEU A 24 18.988 -0.139 -9.141 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.221 -1.840 -10.807 1.00 0.00 C ATOM 0 H LEU A 24 15.400 -0.347 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 24 15.700 -2.956 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.616 -1.446 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.983 -2.848 -8.484 1.00 0.00 H new ATOM 0 HG LEU A 24 16.994 -0.376 -9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.291 0.507 -9.965 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.675 0.474 -8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.829 -0.765 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.535 -1.172 -11.609 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.042 -2.509 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.365 -2.428 -11.139 1.00 0.00 H new ATOM 336 N ALA A 25 15.063 -2.443 -6.166 1.00 0.00 N ATOM 337 CA ALA A 25 14.709 -3.088 -4.908 1.00 0.00 C ATOM 338 C ALA A 25 13.841 -4.319 -5.148 1.00 0.00 C ATOM 339 O ALA A 25 13.064 -4.384 -6.101 1.00 0.00 O ATOM 340 CB ALA A 25 13.993 -2.105 -3.994 1.00 0.00 C ATOM 0 H ALA A 25 14.873 -1.441 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 25 15.629 -3.413 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.735 -2.600 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.647 -1.258 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.084 -1.752 -4.481 1.00 0.00 H new ATOM 346 N PRO A 26 13.975 -5.320 -4.265 1.00 0.00 N ATOM 347 CA PRO A 26 13.210 -6.567 -4.360 1.00 0.00 C ATOM 348 C PRO A 26 11.730 -6.364 -4.055 1.00 0.00 C ATOM 349 O PRO A 26 11.365 -5.914 -2.968 1.00 0.00 O ATOM 350 CB PRO A 26 13.857 -7.461 -3.300 1.00 0.00 C ATOM 351 CG PRO A 26 14.449 -6.513 -2.314 1.00 0.00 C ATOM 352 CD PRO A 26 14.882 -5.310 -3.105 1.00 0.00 C ATOM 0 HA PRO A 26 13.237 -6.987 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.121 -8.113 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.620 -8.105 -3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.720 -6.237 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.295 -6.965 -1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.784 -4.392 -2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.926 -5.384 -3.410 1.00 0.00 H new ATOM 360 N LYS A 27 10.880 -6.700 -5.019 1.00 0.00 N ATOM 361 CA LYS A 27 9.439 -6.557 -4.854 1.00 0.00 C ATOM 362 C LYS A 27 8.998 -7.043 -3.477 1.00 0.00 C ATOM 363 O LYS A 27 9.593 -7.962 -2.913 1.00 0.00 O ATOM 364 CB LYS A 27 8.700 -7.339 -5.942 1.00 0.00 C ATOM 365 CG LYS A 27 7.191 -7.347 -5.767 1.00 0.00 C ATOM 366 CD LYS A 27 6.501 -8.075 -6.909 1.00 0.00 C ATOM 367 CE LYS A 27 6.526 -9.582 -6.704 1.00 0.00 C ATOM 368 NZ LYS A 27 7.782 -10.192 -7.222 1.00 0.00 N ATOM 0 H LYS A 27 11.165 -7.074 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 27 9.192 -5.499 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.942 -6.910 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.062 -8.367 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.936 -7.826 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.825 -6.322 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.469 -7.734 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.992 -7.826 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.425 -9.806 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.670 -10.031 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.558 -11.077 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.244 -9.531 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.422 -10.395 -6.428 1.00 0.00 H new ATOM 382 N SER A 28 7.953 -6.421 -2.941 1.00 0.00 N ATOM 383 CA SER A 28 7.435 -6.789 -1.629 1.00 0.00 C ATOM 384 C SER A 28 5.954 -7.147 -1.710 1.00 0.00 C ATOM 385 O SER A 28 5.170 -6.449 -2.354 1.00 0.00 O ATOM 386 CB SER A 28 7.640 -5.642 -0.636 1.00 0.00 C ATOM 387 OG SER A 28 8.960 -5.644 -0.121 1.00 0.00 O ATOM 0 H SER A 28 7.448 -5.660 -3.395 1.00 0.00 H new ATOM 0 HA SER A 28 7.984 -7.664 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.440 -4.690 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.927 -5.734 0.183 1.00 0.00 H new ATOM 0 HG SER A 28 9.066 -4.901 0.509 1.00 0.00 H new ATOM 393 N ILE A 29 5.579 -8.239 -1.054 1.00 0.00 N ATOM 394 CA ILE A 29 4.193 -8.690 -1.050 1.00 0.00 C ATOM 395 C ILE A 29 3.489 -8.296 0.244 1.00 0.00 C ATOM 396 O ILE A 29 3.999 -8.536 1.339 1.00 0.00 O ATOM 397 CB ILE A 29 4.097 -10.217 -1.229 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.636 -10.627 -2.601 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.658 -10.681 -1.058 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.027 -9.849 -3.746 1.00 0.00 C ATOM 0 H ILE A 29 6.216 -8.828 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 29 3.701 -8.202 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 29 4.706 -10.697 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.717 -10.490 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.448 -11.690 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.606 -11.762 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.307 -10.418 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.028 -10.196 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.455 -10.192 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.948 -10.006 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.238 -8.787 -3.617 1.00 0.00 H new ATOM 412 N LEU A 30 2.314 -7.690 0.111 1.00 0.00 N ATOM 413 CA LEU A 30 1.538 -7.263 1.270 1.00 0.00 C ATOM 414 C LEU A 30 0.236 -8.051 1.373 1.00 0.00 C ATOM 415 O LEU A 30 -0.337 -8.456 0.362 1.00 0.00 O ATOM 416 CB LEU A 30 1.236 -5.766 1.183 1.00 0.00 C ATOM 417 CG LEU A 30 0.551 -5.148 2.402 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.570 -4.845 3.490 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.202 -3.886 2.008 1.00 0.00 C ATOM 0 H LEU A 30 1.878 -7.483 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 30 2.130 -7.456 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.173 -5.236 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.606 -5.593 0.310 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.167 -5.868 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.064 -4.406 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.065 -5.768 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.312 -4.144 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.683 -3.460 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.496 -3.161 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.959 -4.132 1.264 1.00 0.00 H new ATOM 431 N GLN A 31 -0.226 -8.262 2.602 1.00 0.00 N ATOM 432 CA GLN A 31 -1.461 -9.000 2.836 1.00 0.00 C ATOM 433 C GLN A 31 -2.413 -8.202 3.721 1.00 0.00 C ATOM 434 O GLN A 31 -2.235 -8.132 4.938 1.00 0.00 O ATOM 435 CB GLN A 31 -1.157 -10.352 3.484 1.00 0.00 C ATOM 436 CG GLN A 31 -0.438 -11.322 2.561 1.00 0.00 C ATOM 437 CD GLN A 31 -0.430 -12.740 3.096 1.00 0.00 C ATOM 438 OE1 GLN A 31 -0.823 -12.988 4.236 1.00 0.00 O ATOM 439 NE2 GLN A 31 0.019 -13.681 2.273 1.00 0.00 N ATOM 0 H GLN A 31 0.236 -7.933 3.449 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.943 -9.166 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.548 -10.190 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.091 -10.805 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.918 -11.310 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.589 -10.987 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.335 -13.431 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.048 -14.654 2.578 1.00 0.00 H new ATOM 448 N LEU A 32 -3.422 -7.599 3.102 1.00 0.00 N ATOM 449 CA LEU A 32 -4.403 -6.804 3.833 1.00 0.00 C ATOM 450 C LEU A 32 -5.292 -7.694 4.695 1.00 0.00 C ATOM 451 O LEU A 32 -5.520 -8.865 4.392 1.00 0.00 O ATOM 452 CB LEU A 32 -5.262 -5.997 2.859 1.00 0.00 C ATOM 453 CG LEU A 32 -6.331 -6.781 2.097 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.629 -6.822 2.888 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.561 -6.172 0.722 1.00 0.00 C ATOM 0 H LEU A 32 -3.582 -7.645 2.096 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.864 -6.118 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.753 -5.198 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.603 -5.521 2.133 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.978 -7.804 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.378 -7.384 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.454 -7.306 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.987 -5.806 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.325 -6.743 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.891 -5.139 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.632 -6.197 0.153 1.00 0.00 H new ATOM 467 N PRO A 33 -5.807 -7.127 5.796 1.00 0.00 N ATOM 468 CA PRO A 33 -6.682 -7.851 6.724 1.00 0.00 C ATOM 469 C PRO A 33 -8.049 -8.149 6.118 1.00 0.00 C ATOM 470 O PRO A 33 -8.798 -7.235 5.773 1.00 0.00 O ATOM 471 CB PRO A 33 -6.820 -6.888 7.906 1.00 0.00 C ATOM 472 CG PRO A 33 -6.577 -5.538 7.324 1.00 0.00 C ATOM 473 CD PRO A 33 -5.577 -5.736 6.219 1.00 0.00 C ATOM 0 HA PRO A 33 -6.273 -8.824 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.811 -6.953 8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.098 -7.117 8.690 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.502 -5.106 6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.194 -4.851 8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.739 -5.035 5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.556 -5.586 6.570 1.00 0.00 H new ATOM 481 N GLU A 34 -8.368 -9.434 5.992 1.00 0.00 N ATOM 482 CA GLU A 34 -9.646 -9.851 5.428 1.00 0.00 C ATOM 483 C GLU A 34 -10.783 -8.976 5.948 1.00 0.00 C ATOM 484 O GLU A 34 -10.630 -8.266 6.943 1.00 0.00 O ATOM 485 CB GLU A 34 -9.922 -11.318 5.763 1.00 0.00 C ATOM 486 CG GLU A 34 -10.022 -11.593 7.254 1.00 0.00 C ATOM 487 CD GLU A 34 -11.249 -10.963 7.883 1.00 0.00 C ATOM 488 OE1 GLU A 34 -12.370 -11.254 7.418 1.00 0.00 O ATOM 489 OE2 GLU A 34 -11.087 -10.178 8.841 1.00 0.00 O ATOM 0 H GLU A 34 -7.759 -10.203 6.273 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.590 -9.737 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.852 -11.623 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.128 -11.934 5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.046 -12.670 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.129 -11.214 7.750 1.00 0.00 H new ATOM 496 N THR A 35 -11.924 -9.032 5.268 1.00 0.00 N ATOM 497 CA THR A 35 -13.086 -8.244 5.660 1.00 0.00 C ATOM 498 C THR A 35 -14.338 -9.110 5.732 1.00 0.00 C ATOM 499 O THR A 35 -14.393 -10.187 5.138 1.00 0.00 O ATOM 500 CB THR A 35 -13.334 -7.083 4.678 1.00 0.00 C ATOM 501 OG1 THR A 35 -14.482 -6.332 5.089 1.00 0.00 O ATOM 502 CG2 THR A 35 -13.542 -7.605 3.265 1.00 0.00 C ATOM 0 H THR A 35 -12.068 -9.615 4.443 1.00 0.00 H new ATOM 0 HA THR A 35 -12.873 -7.835 6.648 1.00 0.00 H new ATOM 0 HB THR A 35 -12.456 -6.437 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.633 -5.595 4.461 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.715 -6.767 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.655 -8.152 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.405 -8.271 3.246 1.00 0.00 H new ATOM 510 N GLU A 36 -15.342 -8.633 6.461 1.00 0.00 N ATOM 511 CA GLU A 36 -16.594 -9.365 6.609 1.00 0.00 C ATOM 512 C GLU A 36 -17.220 -9.654 5.248 1.00 0.00 C ATOM 513 O GLU A 36 -18.103 -10.504 5.126 1.00 0.00 O ATOM 514 CB GLU A 36 -17.574 -8.573 7.477 1.00 0.00 C ATOM 515 CG GLU A 36 -18.048 -7.281 6.834 1.00 0.00 C ATOM 516 CD GLU A 36 -19.289 -7.473 5.983 1.00 0.00 C ATOM 517 OE1 GLU A 36 -19.576 -8.628 5.605 1.00 0.00 O ATOM 518 OE2 GLU A 36 -19.973 -6.468 5.697 1.00 0.00 O ATOM 0 H GLU A 36 -15.313 -7.743 6.958 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.374 -10.315 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.439 -9.198 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.098 -8.342 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -18.256 -6.547 7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.248 -6.872 6.216 1.00 0.00 H new ATOM 525 N LEU A 37 -16.757 -8.941 4.228 1.00 0.00 N ATOM 526 CA LEU A 37 -17.271 -9.118 2.874 1.00 0.00 C ATOM 527 C LEU A 37 -16.806 -10.446 2.285 1.00 0.00 C ATOM 528 O LEU A 37 -17.582 -11.395 2.176 1.00 0.00 O ATOM 529 CB LEU A 37 -16.818 -7.963 1.979 1.00 0.00 C ATOM 530 CG LEU A 37 -17.760 -6.761 1.906 1.00 0.00 C ATOM 531 CD1 LEU A 37 -19.065 -7.146 1.226 1.00 0.00 C ATOM 532 CD2 LEU A 37 -18.025 -6.206 3.298 1.00 0.00 C ATOM 0 H LEU A 37 -16.026 -8.234 4.312 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.360 -9.125 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.846 -7.617 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.673 -8.347 0.969 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.280 -5.983 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.723 -6.278 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.859 -7.495 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.550 -7.941 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.697 -5.351 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.484 -6.978 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.084 -5.891 3.749 1.00 0.00 H new ATOM 544 N GLY A 38 -15.532 -10.506 1.907 1.00 0.00 N ATOM 545 CA GLY A 38 -14.985 -11.723 1.336 1.00 0.00 C ATOM 546 C GLY A 38 -13.756 -11.463 0.487 1.00 0.00 C ATOM 547 O GLY A 38 -13.430 -10.314 0.192 1.00 0.00 O ATOM 0 H GLY A 38 -14.870 -9.734 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.729 -12.414 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.747 -12.210 0.727 1.00 0.00 H new ATOM 551 N GLU A 39 -13.072 -12.533 0.095 1.00 0.00 N ATOM 552 CA GLU A 39 -11.871 -12.414 -0.723 1.00 0.00 C ATOM 553 C GLU A 39 -12.228 -12.096 -2.172 1.00 0.00 C ATOM 554 O GLU A 39 -11.582 -11.269 -2.815 1.00 0.00 O ATOM 555 CB GLU A 39 -11.054 -13.706 -0.659 1.00 0.00 C ATOM 556 CG GLU A 39 -11.787 -14.918 -1.210 1.00 0.00 C ATOM 557 CD GLU A 39 -11.559 -15.111 -2.697 1.00 0.00 C ATOM 558 OE1 GLU A 39 -11.132 -14.145 -3.363 1.00 0.00 O ATOM 559 OE2 GLU A 39 -11.809 -16.229 -3.194 1.00 0.00 O ATOM 0 H GLU A 39 -13.329 -13.492 0.331 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.272 -11.594 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.127 -13.568 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.777 -13.900 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.458 -15.810 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.855 -14.809 -1.021 1.00 0.00 H new ATOM 566 N TYR A 40 -13.261 -12.760 -2.679 1.00 0.00 N ATOM 567 CA TYR A 40 -13.704 -12.551 -4.053 1.00 0.00 C ATOM 568 C TYR A 40 -13.537 -11.091 -4.463 1.00 0.00 C ATOM 569 O TYR A 40 -13.152 -10.792 -5.594 1.00 0.00 O ATOM 570 CB TYR A 40 -15.166 -12.972 -4.210 1.00 0.00 C ATOM 571 CG TYR A 40 -16.140 -12.046 -3.517 1.00 0.00 C ATOM 572 CD1 TYR A 40 -15.991 -11.728 -2.173 1.00 0.00 C ATOM 573 CD2 TYR A 40 -17.211 -11.490 -4.207 1.00 0.00 C ATOM 574 CE1 TYR A 40 -16.879 -10.882 -1.536 1.00 0.00 C ATOM 575 CE2 TYR A 40 -18.103 -10.643 -3.578 1.00 0.00 C ATOM 576 CZ TYR A 40 -17.933 -10.342 -2.243 1.00 0.00 C ATOM 577 OH TYR A 40 -18.820 -9.500 -1.613 1.00 0.00 O ATOM 0 H TYR A 40 -13.807 -13.447 -2.160 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.084 -13.166 -4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.411 -13.015 -5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.290 -13.979 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.167 -12.149 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -17.348 -11.724 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -16.748 -10.645 -0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.929 -10.219 -4.129 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.502 -9.206 -2.252 1.00 0.00 H new ATOM 587 N SER A 41 -13.829 -10.185 -3.535 1.00 0.00 N ATOM 588 CA SER A 41 -13.714 -8.756 -3.800 1.00 0.00 C ATOM 589 C SER A 41 -13.843 -7.953 -2.509 1.00 0.00 C ATOM 590 O SER A 41 -14.307 -8.464 -1.489 1.00 0.00 O ATOM 591 CB SER A 41 -14.785 -8.313 -4.798 1.00 0.00 C ATOM 592 OG SER A 41 -16.080 -8.678 -4.353 1.00 0.00 O ATOM 0 H SER A 41 -14.147 -10.415 -2.594 1.00 0.00 H new ATOM 0 HA SER A 41 -12.729 -8.569 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.735 -7.233 -4.934 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.590 -8.766 -5.770 1.00 0.00 H new ATOM 0 HG SER A 41 -16.123 -9.650 -4.233 1.00 0.00 H new ATOM 598 N LEU A 42 -13.429 -6.691 -2.561 1.00 0.00 N ATOM 599 CA LEU A 42 -13.497 -5.815 -1.397 1.00 0.00 C ATOM 600 C LEU A 42 -14.343 -4.581 -1.693 1.00 0.00 C ATOM 601 O LEU A 42 -15.312 -4.297 -0.989 1.00 0.00 O ATOM 602 CB LEU A 42 -12.091 -5.392 -0.969 1.00 0.00 C ATOM 603 CG LEU A 42 -11.064 -6.517 -0.832 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.667 -5.945 -0.647 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.426 -7.432 0.328 1.00 0.00 C ATOM 0 H LEU A 42 -13.043 -6.252 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.966 -6.369 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.714 -4.670 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.164 -4.875 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.074 -7.106 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.950 -6.760 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.407 -5.333 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.641 -5.332 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.684 -8.226 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.445 -6.856 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.409 -7.870 0.153 1.00 0.00 H new ATOM 617 N GLY A 43 -13.972 -3.852 -2.741 1.00 0.00 N ATOM 618 CA GLY A 43 -14.709 -2.659 -3.113 1.00 0.00 C ATOM 619 C GLY A 43 -15.211 -1.888 -1.908 1.00 0.00 C ATOM 620 O GLY A 43 -16.394 -1.944 -1.576 1.00 0.00 O ATOM 0 H GLY A 43 -13.174 -4.067 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.069 -2.012 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.556 -2.939 -3.740 1.00 0.00 H new ATOM 624 N GLY A 44 -14.308 -1.167 -1.250 1.00 0.00 N ATOM 625 CA GLY A 44 -14.685 -0.394 -0.081 1.00 0.00 C ATOM 626 C GLY A 44 -13.486 0.177 0.648 1.00 0.00 C ATOM 627 O GLY A 44 -13.592 1.197 1.329 1.00 0.00 O ATOM 0 H GLY A 44 -13.323 -1.105 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.343 0.420 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.254 -1.026 0.601 1.00 0.00 H new ATOM 631 N TYR A 45 -12.341 -0.483 0.508 1.00 0.00 N ATOM 632 CA TYR A 45 -11.117 -0.038 1.163 1.00 0.00 C ATOM 633 C TYR A 45 -10.702 1.342 0.661 1.00 0.00 C ATOM 634 O TYR A 45 -10.747 1.619 -0.538 1.00 0.00 O ATOM 635 CB TYR A 45 -9.989 -1.042 0.919 1.00 0.00 C ATOM 636 CG TYR A 45 -9.911 -2.131 1.965 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.352 -1.884 3.213 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.396 -3.407 1.705 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.278 -2.876 4.171 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.328 -4.405 2.658 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.768 -4.134 3.890 1.00 0.00 C ATOM 642 OH TYR A 45 -9.697 -5.126 4.841 1.00 0.00 O ATOM 0 H TYR A 45 -12.236 -1.328 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.311 0.027 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.127 -1.500 -0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.039 -0.508 0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.969 -0.900 3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.834 -3.622 0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.839 -2.668 5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.711 -5.391 2.440 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.785 -5.484 4.873 1.00 0.00 H new ATOM 652 N SER A 46 -10.297 2.204 1.588 1.00 0.00 N ATOM 653 CA SER A 46 -9.876 3.557 1.242 1.00 0.00 C ATOM 654 C SER A 46 -8.371 3.613 1.001 1.00 0.00 C ATOM 655 O SER A 46 -7.580 3.184 1.843 1.00 0.00 O ATOM 656 CB SER A 46 -10.263 4.534 2.353 1.00 0.00 C ATOM 657 OG SER A 46 -11.665 4.543 2.560 1.00 0.00 O ATOM 0 H SER A 46 -10.251 1.990 2.584 1.00 0.00 H new ATOM 0 HA SER A 46 -10.384 3.845 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.758 4.256 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.924 5.537 2.094 1.00 0.00 H new ATOM 0 HG SER A 46 -11.886 5.174 3.276 1.00 0.00 H new ATOM 663 N ILE A 47 -7.982 4.144 -0.153 1.00 0.00 N ATOM 664 CA ILE A 47 -6.572 4.257 -0.505 1.00 0.00 C ATOM 665 C ILE A 47 -5.719 4.539 0.727 1.00 0.00 C ATOM 666 O ILE A 47 -4.708 3.877 0.960 1.00 0.00 O ATOM 667 CB ILE A 47 -6.338 5.370 -1.543 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.139 5.087 -2.816 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.856 5.496 -1.860 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.876 3.717 -3.403 1.00 0.00 C ATOM 0 H ILE A 47 -8.623 4.503 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.277 3.301 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.681 6.316 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.202 5.181 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.900 5.845 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.707 6.287 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.309 5.739 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.489 4.552 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.477 3.585 -4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.820 3.626 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.142 2.952 -2.674 1.00 0.00 H new ATOM 682 N SER A 48 -6.134 5.526 1.514 1.00 0.00 N ATOM 683 CA SER A 48 -5.408 5.898 2.723 1.00 0.00 C ATOM 684 C SER A 48 -4.899 4.659 3.454 1.00 0.00 C ATOM 685 O SER A 48 -3.699 4.507 3.681 1.00 0.00 O ATOM 686 CB SER A 48 -6.305 6.719 3.651 1.00 0.00 C ATOM 687 OG SER A 48 -5.736 6.829 4.944 1.00 0.00 O ATOM 0 H SER A 48 -6.970 6.083 1.336 1.00 0.00 H new ATOM 0 HA SER A 48 -4.551 6.504 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.455 7.713 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.287 6.251 3.721 1.00 0.00 H new ATOM 0 HG SER A 48 -6.328 7.359 5.518 1.00 0.00 H new ATOM 693 N PHE A 49 -5.822 3.776 3.820 1.00 0.00 N ATOM 694 CA PHE A 49 -5.469 2.550 4.526 1.00 0.00 C ATOM 695 C PHE A 49 -4.244 1.892 3.897 1.00 0.00 C ATOM 696 O PHE A 49 -3.249 1.630 4.573 1.00 0.00 O ATOM 697 CB PHE A 49 -6.647 1.573 4.517 1.00 0.00 C ATOM 698 CG PHE A 49 -6.503 0.451 5.505 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.299 0.716 6.849 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.572 -0.869 5.089 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.166 -0.315 7.760 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.440 -1.904 5.995 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.238 -1.626 7.333 1.00 0.00 C ATOM 0 H PHE A 49 -6.820 3.886 3.639 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.230 2.811 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.564 2.121 4.732 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.753 1.154 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.243 1.740 7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.731 -1.092 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.006 -0.095 8.805 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.495 -2.928 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.137 -2.433 8.044 1.00 0.00 H new ATOM 713 N LEU A 50 -4.325 1.628 2.597 1.00 0.00 N ATOM 714 CA LEU A 50 -3.223 1.001 1.874 1.00 0.00 C ATOM 715 C LEU A 50 -1.908 1.720 2.156 1.00 0.00 C ATOM 716 O LEU A 50 -0.913 1.095 2.523 1.00 0.00 O ATOM 717 CB LEU A 50 -3.507 1.003 0.371 1.00 0.00 C ATOM 718 CG LEU A 50 -4.255 -0.215 -0.172 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.582 -0.027 -1.645 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.436 -1.481 0.037 1.00 0.00 C ATOM 0 H LEU A 50 -5.141 1.838 2.022 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.133 -0.029 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.085 1.896 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.558 1.087 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.191 -0.317 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.114 -0.904 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.208 0.857 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.658 0.101 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.984 -2.338 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.484 -1.389 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.253 -1.624 1.102 1.00 0.00 H new ATOM 732 N LYS A 51 -1.911 3.037 1.983 1.00 0.00 N ATOM 733 CA LYS A 51 -0.719 3.843 2.221 1.00 0.00 C ATOM 734 C LYS A 51 -0.156 3.582 3.615 1.00 0.00 C ATOM 735 O LYS A 51 0.986 3.936 3.908 1.00 0.00 O ATOM 736 CB LYS A 51 -1.044 5.330 2.061 1.00 0.00 C ATOM 737 CG LYS A 51 -1.176 5.771 0.613 1.00 0.00 C ATOM 738 CD LYS A 51 -2.042 7.013 0.486 1.00 0.00 C ATOM 739 CE LYS A 51 -1.731 7.780 -0.790 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.576 8.999 -0.924 1.00 0.00 N ATOM 0 H LYS A 51 -2.726 3.570 1.679 1.00 0.00 H new ATOM 0 HA LYS A 51 0.034 3.561 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.975 5.548 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.262 5.918 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.187 5.972 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.609 4.963 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.094 6.727 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.882 7.660 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.679 8.065 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.890 7.131 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.050 8.993 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.291 9.010 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.978 9.846 -0.847 1.00 0.00 H new ATOM 754 N GLN A 52 -0.963 2.961 4.468 1.00 0.00 N ATOM 755 CA GLN A 52 -0.544 2.653 5.830 1.00 0.00 C ATOM 756 C GLN A 52 0.100 1.272 5.902 1.00 0.00 C ATOM 757 O GLN A 52 1.169 1.104 6.490 1.00 0.00 O ATOM 758 CB GLN A 52 -1.739 2.721 6.782 1.00 0.00 C ATOM 759 CG GLN A 52 -2.554 3.997 6.644 1.00 0.00 C ATOM 760 CD GLN A 52 -2.102 5.084 7.599 1.00 0.00 C ATOM 761 OE1 GLN A 52 -0.940 5.128 8.004 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.021 5.970 7.966 1.00 0.00 N ATOM 0 H GLN A 52 -1.911 2.661 4.240 1.00 0.00 H new ATOM 0 HA GLN A 52 0.195 3.395 6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.387 1.864 6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.381 2.637 7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.478 4.363 5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.605 3.774 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.973 5.896 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.775 6.724 8.607 1.00 0.00 H new ATOM 771 N LEU A 53 -0.557 0.286 5.301 1.00 0.00 N ATOM 772 CA LEU A 53 -0.049 -1.081 5.296 1.00 0.00 C ATOM 773 C LEU A 53 1.351 -1.140 4.694 1.00 0.00 C ATOM 774 O LEU A 53 2.298 -1.586 5.342 1.00 0.00 O ATOM 775 CB LEU A 53 -0.993 -1.995 4.513 1.00 0.00 C ATOM 776 CG LEU A 53 -2.281 -2.403 5.229 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.399 -1.421 4.917 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.684 -3.816 4.837 1.00 0.00 C ATOM 0 H LEU A 53 -1.443 0.408 4.811 1.00 0.00 H new ATOM 0 HA LEU A 53 0.005 -1.425 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.261 -1.495 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.449 -2.900 4.243 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.099 -2.384 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.308 -1.728 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.111 -0.424 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.581 -1.407 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.603 -4.090 5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.848 -3.862 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.891 -4.510 5.113 1.00 0.00 H new ATOM 790 N ILE A 54 1.474 -0.685 3.451 1.00 0.00 N ATOM 791 CA ILE A 54 2.759 -0.683 2.763 1.00 0.00 C ATOM 792 C ILE A 54 3.787 0.149 3.521 1.00 0.00 C ATOM 793 O ILE A 54 4.945 -0.247 3.655 1.00 0.00 O ATOM 794 CB ILE A 54 2.629 -0.137 1.329 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.844 -1.118 0.455 1.00 0.00 C ATOM 796 CG2 ILE A 54 4.004 0.126 0.735 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.350 -0.876 0.467 1.00 0.00 C ATOM 0 H ILE A 54 0.700 -0.313 2.901 1.00 0.00 H new ATOM 0 HA ILE A 54 3.095 -1.719 2.719 1.00 0.00 H new ATOM 0 HB ILE A 54 2.084 0.806 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.207 -1.049 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.042 -2.134 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.895 0.511 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.531 0.858 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.573 -0.803 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.142 -1.608 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.026 -0.974 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.141 0.128 0.098 1.00 0.00 H new ATOM 809 N ALA A 55 3.356 1.305 4.016 1.00 0.00 N ATOM 810 CA ALA A 55 4.238 2.192 4.764 1.00 0.00 C ATOM 811 C ALA A 55 4.757 1.513 6.027 1.00 0.00 C ATOM 812 O ALA A 55 5.803 1.884 6.558 1.00 0.00 O ATOM 813 CB ALA A 55 3.514 3.483 5.115 1.00 0.00 C ATOM 0 H ALA A 55 2.401 1.649 3.912 1.00 0.00 H new ATOM 0 HA ALA A 55 5.095 2.429 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.185 4.136 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.199 3.984 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.639 3.255 5.724 1.00 0.00 H new ATOM 819 N GLY A 56 4.017 0.516 6.504 1.00 0.00 N ATOM 820 CA GLY A 56 4.419 -0.198 7.702 1.00 0.00 C ATOM 821 C GLY A 56 5.330 -1.371 7.400 1.00 0.00 C ATOM 822 O GLY A 56 6.031 -1.866 8.283 1.00 0.00 O ATOM 0 H GLY A 56 3.147 0.190 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.929 0.489 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.531 -0.556 8.223 1.00 0.00 H new ATOM 826 N LYS A 57 5.320 -1.819 6.149 1.00 0.00 N ATOM 827 CA LYS A 57 6.151 -2.942 5.732 1.00 0.00 C ATOM 828 C LYS A 57 7.483 -2.454 5.171 1.00 0.00 C ATOM 829 O LYS A 57 8.516 -3.101 5.346 1.00 0.00 O ATOM 830 CB LYS A 57 5.420 -3.781 4.681 1.00 0.00 C ATOM 831 CG LYS A 57 4.490 -4.824 5.276 1.00 0.00 C ATOM 832 CD LYS A 57 5.264 -6.004 5.841 1.00 0.00 C ATOM 833 CE LYS A 57 4.332 -7.126 6.272 1.00 0.00 C ATOM 834 NZ LYS A 57 3.880 -7.947 5.114 1.00 0.00 N ATOM 0 H LYS A 57 4.745 -1.421 5.406 1.00 0.00 H new ATOM 0 HA LYS A 57 6.350 -3.560 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.844 -3.118 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.156 -4.280 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.890 -4.370 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.798 -5.175 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.961 -6.377 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.859 -5.676 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.842 -7.765 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.464 -6.703 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.194 -8.658 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.431 -7.331 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.699 -8.426 4.687 1.00 0.00 H new ATOM 848 N LEU A 58 7.452 -1.309 4.497 1.00 0.00 N ATOM 849 CA LEU A 58 8.658 -0.734 3.912 1.00 0.00 C ATOM 850 C LEU A 58 9.297 0.274 4.862 1.00 0.00 C ATOM 851 O LEU A 58 10.051 1.149 4.437 1.00 0.00 O ATOM 852 CB LEU A 58 8.330 -0.058 2.579 1.00 0.00 C ATOM 853 CG LEU A 58 7.485 -0.877 1.602 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.388 -0.170 0.259 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.069 -2.272 1.431 1.00 0.00 C ATOM 0 H LEU A 58 6.606 -0.761 4.342 1.00 0.00 H new ATOM 0 HA LEU A 58 9.368 -1.542 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.807 0.875 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.267 0.204 2.087 1.00 0.00 H new ATOM 0 HG LEU A 58 6.480 -0.973 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.783 -0.767 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.924 0.807 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.387 -0.043 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.455 -2.840 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.085 -2.196 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.086 -2.780 2.395 1.00 0.00 H new ATOM 867 N GLN A 59 8.991 0.143 6.149 1.00 0.00 N ATOM 868 CA GLN A 59 9.537 1.041 7.159 1.00 0.00 C ATOM 869 C GLN A 59 11.046 1.192 6.995 1.00 0.00 C ATOM 870 O GLN A 59 11.642 2.146 7.494 1.00 0.00 O ATOM 871 CB GLN A 59 9.214 0.523 8.561 1.00 0.00 C ATOM 872 CG GLN A 59 7.795 0.831 9.011 1.00 0.00 C ATOM 873 CD GLN A 59 7.658 0.878 10.520 1.00 0.00 C ATOM 874 OE1 GLN A 59 8.474 0.309 11.247 1.00 0.00 O ATOM 875 NE2 GLN A 59 6.624 1.558 11.000 1.00 0.00 N ATOM 0 H GLN A 59 8.368 -0.576 6.516 1.00 0.00 H new ATOM 0 HA GLN A 59 9.076 2.020 7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.368 -0.556 8.585 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.915 0.961 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.485 1.788 8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.119 0.074 8.612 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.973 2.014 10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.481 1.625 12.008 1.00 0.00 H new ATOM 884 N GLU A 60 11.658 0.243 6.293 1.00 0.00 N ATOM 885 CA GLU A 60 13.098 0.271 6.065 1.00 0.00 C ATOM 886 C GLU A 60 13.509 1.547 5.335 1.00 0.00 C ATOM 887 O GLU A 60 14.578 2.102 5.587 1.00 0.00 O ATOM 888 CB GLU A 60 13.533 -0.954 5.258 1.00 0.00 C ATOM 889 CG GLU A 60 12.972 -0.984 3.846 1.00 0.00 C ATOM 890 CD GLU A 60 13.418 -2.205 3.067 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.577 -2.222 2.602 1.00 0.00 O ATOM 892 OE2 GLU A 60 12.608 -3.144 2.921 1.00 0.00 O ATOM 0 H GLU A 60 11.179 -0.554 5.873 1.00 0.00 H new ATOM 0 HA GLU A 60 13.594 0.253 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.622 -0.978 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.219 -1.855 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.883 -0.964 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.285 -0.085 3.315 1.00 0.00 H new ATOM 899 N SER A 61 12.651 2.005 4.428 1.00 0.00 N ATOM 900 CA SER A 61 12.926 3.212 3.658 1.00 0.00 C ATOM 901 C SER A 61 11.852 4.268 3.901 1.00 0.00 C ATOM 902 O SER A 61 12.150 5.456 4.020 1.00 0.00 O ATOM 903 CB SER A 61 13.005 2.883 2.165 1.00 0.00 C ATOM 904 OG SER A 61 14.269 2.335 1.830 1.00 0.00 O ATOM 0 H SER A 61 11.760 1.558 4.209 1.00 0.00 H new ATOM 0 HA SER A 61 13.885 3.612 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.218 2.176 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.830 3.786 1.580 1.00 0.00 H new ATOM 0 HG SER A 61 14.294 2.132 0.872 1.00 0.00 H new ATOM 910 N VAL A 62 10.601 3.824 3.973 1.00 0.00 N ATOM 911 CA VAL A 62 9.481 4.730 4.203 1.00 0.00 C ATOM 912 C VAL A 62 9.409 5.154 5.666 1.00 0.00 C ATOM 913 O VAL A 62 9.219 4.336 6.566 1.00 0.00 O ATOM 914 CB VAL A 62 8.144 4.081 3.801 1.00 0.00 C ATOM 915 CG1 VAL A 62 6.974 4.909 4.310 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.068 3.908 2.292 1.00 0.00 C ATOM 0 H VAL A 62 10.338 2.843 3.876 1.00 0.00 H new ATOM 0 HA VAL A 62 9.651 5.609 3.581 1.00 0.00 H new ATOM 0 HB VAL A 62 8.087 3.094 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.038 4.435 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.021 4.976 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.023 5.910 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.116 3.448 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.147 4.882 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.886 3.270 1.957 1.00 0.00 H new ATOM 926 N PRO A 63 9.563 6.463 5.910 1.00 0.00 N ATOM 927 CA PRO A 63 9.518 7.027 7.263 1.00 0.00 C ATOM 928 C PRO A 63 8.118 6.980 7.864 1.00 0.00 C ATOM 929 O PRO A 63 7.930 6.516 8.989 1.00 0.00 O ATOM 930 CB PRO A 63 9.964 8.477 7.058 1.00 0.00 C ATOM 931 CG PRO A 63 9.618 8.783 5.642 1.00 0.00 C ATOM 932 CD PRO A 63 9.793 7.495 4.885 1.00 0.00 C ATOM 0 HA PRO A 63 10.144 6.468 7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.451 9.150 7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.033 8.592 7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.594 9.147 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.266 9.562 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.081 7.412 4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.790 7.416 4.452 1.00 0.00 H new ATOM 940 N ASP A 64 7.138 7.462 7.108 1.00 0.00 N ATOM 941 CA ASP A 64 5.753 7.473 7.566 1.00 0.00 C ATOM 942 C ASP A 64 4.791 7.337 6.390 1.00 0.00 C ATOM 943 O ASP A 64 5.118 7.660 5.248 1.00 0.00 O ATOM 944 CB ASP A 64 5.459 8.762 8.335 1.00 0.00 C ATOM 945 CG ASP A 64 5.728 8.623 9.821 1.00 0.00 C ATOM 946 OD1 ASP A 64 4.886 8.026 10.523 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.781 9.113 10.281 1.00 0.00 O ATOM 0 H ASP A 64 7.277 7.850 6.175 1.00 0.00 H new ATOM 0 HA ASP A 64 5.609 6.621 8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.070 9.570 7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.417 9.044 8.182 1.00 0.00 H new ATOM 952 N PRO A 65 3.575 6.846 6.674 1.00 0.00 N ATOM 953 CA PRO A 65 2.541 6.655 5.653 1.00 0.00 C ATOM 954 C PRO A 65 1.992 7.977 5.129 1.00 0.00 C ATOM 955 O PRO A 65 1.403 8.031 4.050 1.00 0.00 O ATOM 956 CB PRO A 65 1.449 5.879 6.395 1.00 0.00 C ATOM 957 CG PRO A 65 1.639 6.236 7.829 1.00 0.00 C ATOM 958 CD PRO A 65 3.117 6.440 8.013 1.00 0.00 C ATOM 0 HA PRO A 65 2.927 6.140 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.456 6.161 6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.550 4.805 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.086 7.140 8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.270 5.444 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.327 7.207 8.759 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.610 5.527 8.347 1.00 0.00 H new ATOM 966 N GLU A 66 2.189 9.042 5.901 1.00 0.00 N ATOM 967 CA GLU A 66 1.713 10.364 5.513 1.00 0.00 C ATOM 968 C GLU A 66 2.753 11.091 4.666 1.00 0.00 C ATOM 969 O GLU A 66 2.417 11.956 3.856 1.00 0.00 O ATOM 970 CB GLU A 66 1.380 11.195 6.755 1.00 0.00 C ATOM 971 CG GLU A 66 0.543 10.449 7.780 1.00 0.00 C ATOM 972 CD GLU A 66 -0.323 11.375 8.612 1.00 0.00 C ATOM 973 OE1 GLU A 66 -1.435 11.715 8.157 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.112 11.761 9.717 1.00 0.00 O ATOM 0 H GLU A 66 2.674 9.014 6.798 1.00 0.00 H new ATOM 0 HA GLU A 66 0.810 10.236 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.309 11.520 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.846 12.094 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.092 9.726 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.202 9.884 8.439 1.00 0.00 H new ATOM 981 N LEU A 67 4.018 10.733 4.858 1.00 0.00 N ATOM 982 CA LEU A 67 5.109 11.351 4.113 1.00 0.00 C ATOM 983 C LEU A 67 5.375 10.598 2.813 1.00 0.00 C ATOM 984 O LEU A 67 6.443 10.732 2.214 1.00 0.00 O ATOM 985 CB LEU A 67 6.380 11.385 4.964 1.00 0.00 C ATOM 986 CG LEU A 67 6.211 11.881 6.401 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.519 11.752 7.167 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.722 13.321 6.415 1.00 0.00 C ATOM 0 H LEU A 67 4.313 10.018 5.523 1.00 0.00 H new ATOM 0 HA LEU A 67 4.816 12.372 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.800 10.380 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.111 12.021 4.465 1.00 0.00 H new ATOM 0 HG LEU A 67 5.462 11.260 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.380 12.110 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.827 10.707 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.289 12.347 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.608 13.656 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.446 13.956 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.761 13.384 5.904 1.00 0.00 H new ATOM 1000 N ILE A 68 4.397 9.808 2.382 1.00 0.00 N ATOM 1001 CA ILE A 68 4.525 9.036 1.152 1.00 0.00 C ATOM 1002 C ILE A 68 3.210 9.012 0.380 1.00 0.00 C ATOM 1003 O ILE A 68 2.160 9.372 0.911 1.00 0.00 O ATOM 1004 CB ILE A 68 4.967 7.589 1.439 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.061 6.957 2.498 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.420 7.558 1.888 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.848 6.262 1.920 1.00 0.00 C ATOM 0 H ILE A 68 3.508 9.686 2.866 1.00 0.00 H new ATOM 0 HA ILE A 68 5.289 9.526 0.549 1.00 0.00 H new ATOM 0 HB ILE A 68 4.880 7.008 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.640 6.238 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.730 7.731 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.717 6.528 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.052 7.973 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.533 8.150 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.252 5.838 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.246 6.982 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.170 5.465 1.250 1.00 0.00 H new ATOM 1019 N ASP A 69 3.276 8.582 -0.875 1.00 0.00 N ATOM 1020 CA ASP A 69 2.090 8.507 -1.721 1.00 0.00 C ATOM 1021 C ASP A 69 2.056 7.193 -2.494 1.00 0.00 C ATOM 1022 O ASP A 69 3.092 6.564 -2.717 1.00 0.00 O ATOM 1023 CB ASP A 69 2.056 9.687 -2.694 1.00 0.00 C ATOM 1024 CG ASP A 69 1.649 10.982 -2.020 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.463 11.111 -1.651 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.516 11.868 -1.863 1.00 0.00 O ATOM 0 H ASP A 69 4.138 8.280 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 69 1.211 8.552 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.040 9.810 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.359 9.467 -3.503 1.00 0.00 H new ATOM 1031 N LEU A 70 0.860 6.782 -2.899 1.00 0.00 N ATOM 1032 CA LEU A 70 0.690 5.540 -3.647 1.00 0.00 C ATOM 1033 C LEU A 70 0.394 5.825 -5.116 1.00 0.00 C ATOM 1034 O LEU A 70 -0.455 6.657 -5.437 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.439 4.706 -3.039 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.369 3.199 -3.288 1.00 0.00 C ATOM 1037 CD1 LEU A 70 1.043 2.684 -3.053 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.361 2.465 -2.399 1.00 0.00 C ATOM 0 H LEU A 70 -0.007 7.290 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 70 1.622 4.978 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.450 4.876 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.387 5.075 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.634 3.009 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.073 1.610 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.731 3.187 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.337 2.886 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.297 1.394 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.127 2.662 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.371 2.813 -2.616 1.00 0.00 H new ATOM 1050 N ILE A 71 1.097 5.129 -6.002 1.00 0.00 N ATOM 1051 CA ILE A 71 0.906 5.305 -7.436 1.00 0.00 C ATOM 1052 C ILE A 71 0.470 4.002 -8.097 1.00 0.00 C ATOM 1053 O ILE A 71 1.095 2.958 -7.907 1.00 0.00 O ATOM 1054 CB ILE A 71 2.192 5.808 -8.118 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.844 6.908 -7.278 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.886 6.315 -9.519 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.949 8.107 -7.053 1.00 0.00 C ATOM 0 H ILE A 71 1.804 4.438 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 71 0.122 6.052 -7.560 1.00 0.00 H new ATOM 0 HB ILE A 71 2.891 4.976 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.132 6.494 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.760 7.236 -7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.805 6.667 -9.987 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.462 5.506 -10.114 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.171 7.136 -9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.476 8.846 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.681 8.546 -8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.044 7.793 -6.533 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.604 4.070 -8.876 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.124 2.895 -9.565 1.00 0.00 C ATOM 1071 C TYR A 72 -1.617 3.258 -10.963 1.00 0.00 C ATOM 1072 O TYR A 72 -2.309 4.259 -11.149 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.261 2.266 -8.758 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.993 1.169 -9.498 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -4.073 1.461 -10.322 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.605 -0.159 -9.372 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.745 0.462 -10.999 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -3.270 -1.165 -10.046 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.340 -0.849 -10.858 1.00 0.00 C ATOM 1080 OH TYR A 72 -5.006 -1.848 -11.531 1.00 0.00 O ATOM 0 H TYR A 72 -1.131 4.926 -9.046 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.313 2.173 -9.661 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.856 1.860 -7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.973 3.044 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.392 2.486 -10.435 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.769 -0.409 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.583 0.706 -11.635 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.954 -2.192 -9.938 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.594 -2.713 -11.324 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.256 2.435 -11.942 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.661 2.668 -13.324 1.00 0.00 C ATOM 1092 C CYS A 73 -1.056 3.962 -13.857 1.00 0.00 C ATOM 1093 O CYS A 73 -1.640 4.627 -14.712 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.186 2.722 -13.428 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.809 2.763 -15.125 1.00 0.00 S ATOM 0 H CYS A 73 -0.684 1.602 -11.804 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.292 1.840 -13.930 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.605 1.854 -12.919 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.545 3.605 -12.899 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.197 3.698 -15.790 1.00 0.00 H new ATOM 1101 N GLY A 74 0.119 4.315 -13.345 1.00 0.00 N ATOM 1102 CA GLY A 74 0.784 5.530 -13.781 1.00 0.00 C ATOM 1103 C GLY A 74 0.091 6.781 -13.278 1.00 0.00 C ATOM 1104 O GLY A 74 0.299 7.870 -13.813 1.00 0.00 O ATOM 0 H GLY A 74 0.623 3.782 -12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.815 5.523 -13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.819 5.551 -14.870 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.735 6.625 -12.249 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.463 7.752 -11.676 1.00 0.00 C ATOM 1110 C ARG A 75 -1.569 7.616 -10.160 1.00 0.00 C ATOM 1111 O ARG A 75 -1.776 6.521 -9.637 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.861 7.848 -12.289 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.856 6.865 -11.694 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.287 7.240 -12.046 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.704 8.480 -11.396 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.877 9.064 -11.612 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.746 8.523 -12.455 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -7.184 10.191 -10.983 1.00 0.00 N ATOM 0 H ARG A 75 -0.917 5.730 -11.795 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.910 8.663 -11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.239 8.861 -12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.790 7.675 -13.363 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.641 5.861 -12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.741 6.840 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.378 7.349 -13.127 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.957 6.433 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.059 8.921 -10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.514 7.656 -12.940 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.646 8.974 -12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.519 10.610 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.085 10.639 -11.150 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.424 8.735 -9.460 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.504 8.743 -8.004 1.00 0.00 C ATOM 1134 C LYS A 76 -2.932 8.480 -7.536 1.00 0.00 C ATOM 1135 O LYS A 76 -3.895 8.850 -8.209 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.015 10.085 -7.453 1.00 0.00 C ATOM 1137 CG LYS A 76 -1.114 10.194 -5.941 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.036 11.104 -5.376 1.00 0.00 C ATOM 1139 CE LYS A 76 -0.097 12.492 -5.995 1.00 0.00 C ATOM 1140 NZ LYS A 76 -0.991 13.402 -5.226 1.00 0.00 N ATOM 0 H LYS A 76 -1.250 9.649 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.863 7.946 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.022 10.235 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.597 10.888 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.096 10.578 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.024 9.203 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.153 11.181 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.945 10.665 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.906 12.916 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.452 12.416 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.006 14.338 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.954 13.010 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.638 13.494 -4.252 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.062 7.841 -6.379 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.373 7.529 -5.820 1.00 0.00 C ATOM 1156 C LEU A 77 -4.675 8.414 -4.614 1.00 0.00 C ATOM 1157 O LEU A 77 -3.816 8.630 -3.759 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.440 6.056 -5.415 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.883 5.055 -6.428 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.825 3.660 -5.825 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.724 5.056 -7.696 1.00 0.00 C ATOM 0 H LEU A 77 -2.276 7.529 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.123 7.723 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.898 5.933 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.481 5.801 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.869 5.357 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.426 2.962 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.179 3.670 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.828 3.347 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.313 4.338 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.750 4.779 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.712 6.052 -8.139 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.901 8.921 -4.551 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.319 9.779 -3.449 1.00 0.00 C ATOM 1175 C LYS A 78 -6.977 8.961 -2.342 1.00 0.00 C ATOM 1176 O LYS A 78 -7.413 7.832 -2.567 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.290 10.851 -3.950 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.600 12.106 -4.459 1.00 0.00 C ATOM 1179 CD LYS A 78 -6.355 13.101 -3.337 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.644 13.786 -2.908 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.386 15.115 -2.289 1.00 0.00 N ATOM 0 H LYS A 78 -6.623 8.752 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.431 10.263 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.900 10.432 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.968 11.122 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.651 11.838 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.212 12.571 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.913 12.587 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.635 13.851 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.295 13.909 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.174 13.151 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.289 15.549 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.785 14.996 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.903 15.730 -2.975 1.00 0.00 H new ATOM 1195 N ASP A 79 -7.046 9.539 -1.148 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.653 8.864 -0.006 1.00 0.00 C ATOM 1197 C ASP A 79 -9.175 8.886 -0.108 1.00 0.00 C ATOM 1198 O ASP A 79 -9.869 8.250 0.685 1.00 0.00 O ATOM 1199 CB ASP A 79 -7.207 9.524 1.299 1.00 0.00 C ATOM 1200 CG ASP A 79 -7.549 11.000 1.348 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -7.339 11.692 0.330 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -8.028 11.464 2.404 1.00 0.00 O ATOM 0 H ASP A 79 -6.689 10.473 -0.945 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.322 7.826 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.680 9.016 2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.131 9.399 1.416 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.686 9.623 -1.088 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.126 9.728 -1.294 1.00 0.00 C ATOM 1209 C ASP A 80 -11.620 8.641 -2.244 1.00 0.00 C ATOM 1210 O ASP A 80 -12.814 8.547 -2.526 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.484 11.108 -1.847 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.234 12.217 -0.844 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -11.468 11.990 0.361 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -10.804 13.312 -1.264 1.00 0.00 O ATOM 0 H ASP A 80 -9.125 10.156 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.617 9.593 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.900 11.298 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.534 11.117 -2.140 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.693 7.826 -2.735 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.035 6.747 -3.656 1.00 0.00 C ATOM 1221 C GLN A 81 -10.911 5.389 -2.973 1.00 0.00 C ATOM 1222 O GLN A 81 -10.507 5.299 -1.813 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.131 6.795 -4.889 1.00 0.00 C ATOM 1224 CG GLN A 81 -9.996 8.185 -5.490 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.140 8.532 -6.422 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.155 8.125 -7.584 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -12.107 9.288 -5.916 1.00 0.00 N ATOM 0 H GLN A 81 -9.700 7.891 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.071 6.884 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.141 6.427 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.526 6.118 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.951 8.921 -4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.055 8.251 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.054 9.603 -4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.903 9.554 -6.496 1.00 0.00 H new ATOM 1236 N THR A 82 -11.262 4.333 -3.699 1.00 0.00 N ATOM 1237 CA THR A 82 -11.191 2.979 -3.164 1.00 0.00 C ATOM 1238 C THR A 82 -10.635 2.007 -4.198 1.00 0.00 C ATOM 1239 O THR A 82 -10.389 2.379 -5.346 1.00 0.00 O ATOM 1240 CB THR A 82 -12.576 2.485 -2.703 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.473 2.433 -3.817 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.146 3.397 -1.628 1.00 0.00 C ATOM 0 H THR A 82 -11.599 4.389 -4.660 1.00 0.00 H new ATOM 0 HA THR A 82 -10.521 3.013 -2.305 1.00 0.00 H new ATOM 0 HB THR A 82 -12.460 1.485 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.350 2.117 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.124 3.028 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.475 3.411 -0.769 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.248 4.407 -2.025 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.441 0.759 -3.785 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.914 -0.268 -4.676 1.00 0.00 C ATOM 1252 C LEU A 83 -10.856 -0.503 -5.853 1.00 0.00 C ATOM 1253 O LEU A 83 -10.413 -0.697 -6.986 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.701 -1.575 -3.911 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.491 -1.617 -2.977 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.219 -1.898 -3.763 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.366 -0.309 -2.208 1.00 0.00 C ATOM 0 H LEU A 83 -10.641 0.434 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.956 0.079 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.596 -1.778 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.604 -2.384 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.637 -2.425 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.369 -1.924 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.309 -2.859 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.067 -1.112 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.500 -0.356 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.243 0.516 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.266 -0.149 -1.614 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.155 -0.481 -5.578 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.160 -0.689 -6.614 1.00 0.00 C ATOM 1271 C ASP A 84 -13.306 0.555 -7.485 1.00 0.00 C ATOM 1272 O ASP A 84 -13.467 0.458 -8.702 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.507 -1.047 -5.984 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.680 -0.627 -6.848 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.765 -1.098 -8.002 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.513 0.170 -6.370 1.00 0.00 O ATOM 0 H ASP A 84 -12.537 -0.321 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.832 -1.516 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.551 -2.123 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.588 -0.567 -5.009 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.251 1.723 -6.854 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.379 2.987 -7.571 1.00 0.00 C ATOM 1283 C PHE A 85 -12.464 3.015 -8.792 1.00 0.00 C ATOM 1284 O PHE A 85 -12.861 3.462 -9.868 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.049 4.159 -6.645 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.596 5.474 -7.123 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.971 6.167 -8.147 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.735 6.015 -6.550 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.471 7.377 -8.589 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -15.240 7.225 -6.988 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.608 7.906 -8.009 1.00 0.00 C ATOM 0 H PHE A 85 -13.119 1.821 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.411 3.081 -7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.445 3.949 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.967 4.239 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -12.083 5.757 -8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.234 5.486 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.974 7.909 -9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -16.128 7.637 -6.532 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.002 8.851 -8.354 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.238 2.535 -8.615 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.265 2.508 -9.701 1.00 0.00 C ATOM 1303 C TYR A 86 -10.292 1.164 -10.423 1.00 0.00 C ATOM 1304 O TYR A 86 -10.059 1.089 -11.628 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.860 2.781 -9.161 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.592 4.243 -8.885 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.522 5.165 -9.922 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.409 4.702 -7.586 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -8.276 6.502 -9.674 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.164 6.037 -7.329 1.00 0.00 C ATOM 1311 CZ TYR A 86 -8.098 6.933 -8.376 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.854 8.264 -8.124 1.00 0.00 O ATOM 0 H TYR A 86 -10.895 2.160 -7.731 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.532 3.288 -10.414 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.717 2.214 -8.241 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.126 2.415 -9.879 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.662 4.831 -10.939 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.459 4.003 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.223 7.205 -10.492 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.025 6.378 -6.314 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.287 8.812 -8.812 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.580 0.103 -9.675 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.633 -1.224 -10.259 1.00 0.00 C ATOM 1324 C GLY A 87 -9.351 -2.004 -10.044 1.00 0.00 C ATOM 1325 O GLY A 87 -9.049 -2.933 -10.793 1.00 0.00 O ATOM 0 H GLY A 87 -10.778 0.139 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.467 -1.775 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.828 -1.140 -11.328 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.596 -1.626 -9.018 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.339 -2.297 -8.708 1.00 0.00 C ATOM 1331 C ILE A 88 -7.563 -3.779 -8.426 1.00 0.00 C ATOM 1332 O ILE A 88 -8.455 -4.148 -7.663 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.643 -1.654 -7.493 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.370 -0.173 -7.760 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.349 -2.388 -7.175 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.295 0.664 -6.502 1.00 0.00 C ATOM 0 H ILE A 88 -8.832 -0.860 -8.388 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.698 -2.189 -9.583 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.304 -1.732 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.432 -0.078 -8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.156 0.223 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.869 -1.922 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.569 -3.431 -6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.681 -2.337 -8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.099 1.703 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.241 0.599 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.491 0.294 -5.866 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.744 -4.623 -9.046 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.852 -6.066 -8.861 1.00 0.00 C ATOM 1350 C GLN A 89 -5.799 -6.569 -7.879 1.00 0.00 C ATOM 1351 O GLN A 89 -4.724 -5.987 -7.733 1.00 0.00 O ATOM 1352 CB GLN A 89 -6.702 -6.786 -10.202 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.940 -6.700 -11.080 1.00 0.00 C ATOM 1354 CD GLN A 89 -9.218 -6.987 -10.318 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -9.448 -8.111 -9.870 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -10.058 -5.970 -10.165 1.00 0.00 N ATOM 0 H GLN A 89 -5.999 -4.333 -9.680 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.838 -6.282 -8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.855 -6.361 -10.740 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.469 -7.835 -10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.000 -5.705 -11.520 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.846 -7.408 -11.904 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.827 -5.055 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.934 -6.104 -9.660 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.112 -7.675 -7.190 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.205 -8.281 -6.210 1.00 0.00 C ATOM 1367 C PRO A 90 -3.985 -8.917 -6.866 1.00 0.00 C ATOM 1368 O PRO A 90 -3.141 -9.505 -6.191 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.071 -9.351 -5.540 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.107 -9.691 -6.555 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.376 -8.421 -7.314 1.00 0.00 C ATOM 0 HA PRO A 90 -4.802 -7.543 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.480 -10.226 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.524 -8.976 -4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.756 -10.478 -7.223 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.015 -10.060 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.624 -8.621 -8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.213 -7.868 -6.888 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.897 -8.795 -8.187 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.775 -9.363 -8.912 1.00 0.00 C ATOM 1381 C GLY A 91 -1.901 -8.303 -9.551 1.00 0.00 C ATOM 1382 O GLY A 91 -0.966 -8.619 -10.286 1.00 0.00 O ATOM 0 H GLY A 91 -4.583 -8.313 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.173 -9.964 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.148 -10.035 -9.684 1.00 0.00 H new ATOM 1386 N SER A 92 -2.207 -7.039 -9.273 1.00 0.00 N ATOM 1387 CA SER A 92 -1.445 -5.928 -9.831 1.00 0.00 C ATOM 1388 C SER A 92 -0.318 -5.516 -8.890 1.00 0.00 C ATOM 1389 O SER A 92 -0.082 -6.156 -7.864 1.00 0.00 O ATOM 1390 CB SER A 92 -2.365 -4.734 -10.097 1.00 0.00 C ATOM 1391 OG SER A 92 -1.902 -3.968 -11.195 1.00 0.00 O ATOM 0 H SER A 92 -2.977 -6.759 -8.665 1.00 0.00 H new ATOM 0 HA SER A 92 -1.006 -6.257 -10.773 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.376 -5.088 -10.297 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.417 -4.106 -9.208 1.00 0.00 H new ATOM 0 HG SER A 92 -2.619 -3.378 -11.508 1.00 0.00 H new ATOM 1397 N THR A 93 0.378 -4.440 -9.245 1.00 0.00 N ATOM 1398 CA THR A 93 1.482 -3.941 -8.435 1.00 0.00 C ATOM 1399 C THR A 93 1.405 -2.428 -8.272 1.00 0.00 C ATOM 1400 O THR A 93 1.142 -1.702 -9.232 1.00 0.00 O ATOM 1401 CB THR A 93 2.844 -4.311 -9.053 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.819 -5.664 -9.520 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.963 -4.141 -8.036 1.00 0.00 C ATOM 0 H THR A 93 0.196 -3.897 -10.089 1.00 0.00 H new ATOM 0 HA THR A 93 1.395 -4.413 -7.457 1.00 0.00 H new ATOM 0 HB THR A 93 3.031 -3.641 -9.892 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.688 -5.891 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.915 -4.408 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.998 -3.103 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.778 -4.790 -7.180 1.00 0.00 H new ATOM 1411 N VAL A 94 1.635 -1.956 -7.051 1.00 0.00 N ATOM 1412 CA VAL A 94 1.594 -0.528 -6.762 1.00 0.00 C ATOM 1413 C VAL A 94 2.986 0.012 -6.453 1.00 0.00 C ATOM 1414 O VAL A 94 3.830 -0.697 -5.903 1.00 0.00 O ATOM 1415 CB VAL A 94 0.661 -0.222 -5.576 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.704 -0.858 -5.791 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.282 -0.701 -4.273 1.00 0.00 C ATOM 0 H VAL A 94 1.852 -2.543 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 94 1.208 -0.036 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 94 0.525 0.858 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.349 -0.631 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.151 -0.461 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.592 -1.938 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.609 -0.477 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.449 -1.777 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.233 -0.193 -4.115 1.00 0.00 H new ATOM 1427 N HIS A 95 3.219 1.271 -6.809 1.00 0.00 N ATOM 1428 CA HIS A 95 4.510 1.907 -6.568 1.00 0.00 C ATOM 1429 C HIS A 95 4.397 2.969 -5.478 1.00 0.00 C ATOM 1430 O HIS A 95 3.352 3.599 -5.317 1.00 0.00 O ATOM 1431 CB HIS A 95 5.040 2.536 -7.856 1.00 0.00 C ATOM 1432 CG HIS A 95 5.653 1.546 -8.798 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.825 0.873 -8.525 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.248 1.114 -10.015 1.00 0.00 C ATOM 1435 CE1 HIS A 95 7.115 0.072 -9.535 1.00 0.00 C ATOM 1436 NE2 HIS A 95 6.174 0.199 -10.452 1.00 0.00 N ATOM 0 H HIS A 95 2.532 1.871 -7.265 1.00 0.00 H new ATOM 0 HA HIS A 95 5.209 1.140 -6.233 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.223 3.050 -8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.783 3.292 -7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.361 1.430 -10.544 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.976 -0.577 -9.599 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.140 -0.301 -11.340 1.00 0.00 H new ATOM 1445 N VAL A 96 5.480 3.161 -4.731 1.00 0.00 N ATOM 1446 CA VAL A 96 5.503 4.146 -3.657 1.00 0.00 C ATOM 1447 C VAL A 96 6.472 5.280 -3.972 1.00 0.00 C ATOM 1448 O VAL A 96 7.654 5.047 -4.231 1.00 0.00 O ATOM 1449 CB VAL A 96 5.900 3.504 -2.315 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.374 4.566 -1.334 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.735 2.714 -1.737 1.00 0.00 C ATOM 0 H VAL A 96 6.353 2.647 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 96 4.493 4.548 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 96 6.725 2.814 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.650 4.093 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.240 5.083 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.572 5.283 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.033 2.267 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.889 3.381 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.447 1.927 -2.434 1.00 0.00 H new ATOM 1461 N LEU A 97 5.966 6.508 -3.947 1.00 0.00 N ATOM 1462 CA LEU A 97 6.787 7.680 -4.229 1.00 0.00 C ATOM 1463 C LEU A 97 6.895 8.578 -3.001 1.00 0.00 C ATOM 1464 O LEU A 97 5.886 9.013 -2.448 1.00 0.00 O ATOM 1465 CB LEU A 97 6.200 8.468 -5.401 1.00 0.00 C ATOM 1466 CG LEU A 97 7.155 9.432 -6.108 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.588 10.542 -5.163 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.366 8.684 -6.645 1.00 0.00 C ATOM 0 H LEU A 97 4.991 6.718 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 97 7.787 7.337 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.822 7.758 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.344 9.037 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 97 6.629 9.883 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.267 11.218 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.712 11.096 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.096 10.109 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.035 9.385 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.893 8.205 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.039 7.925 -7.356 1.00 0.00 H new ATOM 1480 N ARG A 98 8.126 8.852 -2.581 1.00 0.00 N ATOM 1481 CA ARG A 98 8.366 9.699 -1.419 1.00 0.00 C ATOM 1482 C ARG A 98 8.078 11.162 -1.744 1.00 0.00 C ATOM 1483 O ARG A 98 8.559 11.693 -2.745 1.00 0.00 O ATOM 1484 CB ARG A 98 9.811 9.546 -0.940 1.00 0.00 C ATOM 1485 CG ARG A 98 10.007 8.414 0.055 1.00 0.00 C ATOM 1486 CD ARG A 98 9.813 8.891 1.486 1.00 0.00 C ATOM 1487 NE ARG A 98 10.906 9.753 1.928 1.00 0.00 N ATOM 1488 CZ ARG A 98 12.113 9.302 2.251 1.00 0.00 C ATOM 1489 NH1 ARG A 98 12.381 8.005 2.180 1.00 0.00 N ATOM 1490 NH2 ARG A 98 13.056 10.149 2.644 1.00 0.00 N ATOM 0 H ARG A 98 8.972 8.500 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 98 7.691 9.382 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.455 9.375 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.134 10.481 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.301 7.612 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.008 7.997 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.870 9.433 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.740 8.029 2.149 1.00 0.00 H new ATOM 0 HE ARG A 98 10.733 10.756 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.659 7.351 1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.309 7.662 2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.854 11.147 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.982 9.802 2.892 1.00 0.00 H new ATOM 1504 N LYS A 99 7.291 11.808 -0.891 1.00 0.00 N ATOM 1505 CA LYS A 99 6.939 13.209 -1.085 1.00 0.00 C ATOM 1506 C LYS A 99 8.182 14.093 -1.048 1.00 0.00 C ATOM 1507 O LYS A 99 8.677 14.439 0.024 1.00 0.00 O ATOM 1508 CB LYS A 99 5.947 13.661 -0.010 1.00 0.00 C ATOM 1509 CG LYS A 99 4.583 13.004 -0.127 1.00 0.00 C ATOM 1510 CD LYS A 99 3.757 13.205 1.133 1.00 0.00 C ATOM 1511 CE LYS A 99 2.306 12.803 0.918 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.587 13.770 0.043 1.00 0.00 N ATOM 0 H LYS A 99 6.884 11.383 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 99 6.473 13.308 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.364 13.441 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.826 14.743 -0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.050 13.419 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.707 11.938 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.182 12.616 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.805 14.250 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.267 11.810 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.800 12.739 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.588 13.818 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.019 14.711 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.652 13.457 -0.947 1.00 0.00 H new ATOM 1526 N SER A 100 8.679 14.456 -2.226 1.00 0.00 N ATOM 1527 CA SER A 100 9.866 15.297 -2.328 1.00 0.00 C ATOM 1528 C SER A 100 9.535 16.746 -1.982 1.00 0.00 C ATOM 1529 O SER A 100 9.161 17.533 -2.852 1.00 0.00 O ATOM 1530 CB SER A 100 10.453 15.219 -3.739 1.00 0.00 C ATOM 1531 OG SER A 100 9.515 15.656 -4.707 1.00 0.00 O ATOM 0 H SER A 100 8.278 14.181 -3.123 1.00 0.00 H new ATOM 0 HA SER A 100 10.604 14.930 -1.615 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.352 15.833 -3.797 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.752 14.194 -3.955 1.00 0.00 H new ATOM 0 HG SER A 100 9.101 16.492 -4.407 1.00 0.00 H new ATOM 1537 N TRP A 101 9.677 17.090 -0.708 1.00 0.00 N ATOM 1538 CA TRP A 101 9.394 18.444 -0.246 1.00 0.00 C ATOM 1539 C TRP A 101 10.308 18.827 0.912 1.00 0.00 C ATOM 1540 O TRP A 101 10.819 17.962 1.624 1.00 0.00 O ATOM 1541 CB TRP A 101 7.930 18.563 0.183 1.00 0.00 C ATOM 1542 CG TRP A 101 7.690 19.660 1.176 1.00 0.00 C ATOM 1543 CD1 TRP A 101 7.904 20.996 0.990 1.00 0.00 C ATOM 1544 CD2 TRP A 101 7.190 19.514 2.510 1.00 0.00 C ATOM 1545 NE1 TRP A 101 7.569 21.689 2.128 1.00 0.00 N ATOM 1546 CE2 TRP A 101 7.127 20.803 3.075 1.00 0.00 C ATOM 1547 CE3 TRP A 101 6.789 18.420 3.282 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 6.680 21.024 4.375 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 6.345 18.642 4.572 1.00 0.00 C ATOM 1550 CH2 TRP A 101 6.293 19.935 5.107 1.00 0.00 C ATOM 0 H TRP A 101 9.986 16.451 0.024 1.00 0.00 H new ATOM 0 HA TRP A 101 9.580 19.129 -1.073 1.00 0.00 H new ATOM 0 HB2 TRP A 101 7.314 18.739 -0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 101 7.607 17.615 0.614 1.00 0.00 H new ATOM 0 HD1 TRP A 101 8.281 21.442 0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 101 7.638 22.700 2.248 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.825 17.419 2.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.640 22.020 4.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 6.033 17.804 5.178 1.00 0.00 H new ATOM 0 HH2 TRP A 101 5.940 20.075 6.118 1.00 0.00 H new ATOM 1561 N SER A 102 10.512 20.128 1.096 1.00 0.00 N ATOM 1562 CA SER A 102 11.368 20.624 2.166 1.00 0.00 C ATOM 1563 C SER A 102 11.292 19.715 3.389 1.00 0.00 C ATOM 1564 O SER A 102 12.211 18.943 3.661 1.00 0.00 O ATOM 1565 CB SER A 102 10.966 22.049 2.551 1.00 0.00 C ATOM 1566 OG SER A 102 11.362 22.977 1.555 1.00 0.00 O ATOM 0 H SER A 102 10.096 20.857 0.517 1.00 0.00 H new ATOM 0 HA SER A 102 12.395 20.629 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.886 22.100 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.425 22.315 3.503 1.00 0.00 H new ATOM 0 HG SER A 102 11.092 23.880 1.824 1.00 0.00 H new ATOM 1572 N GLY A 103 10.189 19.813 4.124 1.00 0.00 N ATOM 1573 CA GLY A 103 10.012 18.994 5.309 1.00 0.00 C ATOM 1574 C GLY A 103 10.535 19.668 6.562 1.00 0.00 C ATOM 1575 O GLY A 103 11.662 20.161 6.604 1.00 0.00 O ATOM 0 H GLY A 103 9.415 20.445 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.953 18.768 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.526 18.043 5.170 1.00 0.00 H new ATOM 1579 N PRO A 104 9.703 19.697 7.614 1.00 0.00 N ATOM 1580 CA PRO A 104 10.066 20.314 8.894 1.00 0.00 C ATOM 1581 C PRO A 104 11.136 19.521 9.637 1.00 0.00 C ATOM 1582 O PRO A 104 10.870 18.437 10.155 1.00 0.00 O ATOM 1583 CB PRO A 104 8.751 20.305 9.678 1.00 0.00 C ATOM 1584 CG PRO A 104 7.969 19.181 9.091 1.00 0.00 C ATOM 1585 CD PRO A 104 8.344 19.130 7.636 1.00 0.00 C ATOM 0 HA PRO A 104 10.491 21.309 8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.926 20.152 10.743 1.00 0.00 H new ATOM 0 HB3 PRO A 104 8.222 21.252 9.575 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.205 18.240 9.588 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.898 19.345 9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.328 18.110 7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 104 7.656 19.712 7.023 1.00 0.00 H new ATOM 1593 N SER A 105 12.345 20.070 9.685 1.00 0.00 N ATOM 1594 CA SER A 105 13.456 19.411 10.363 1.00 0.00 C ATOM 1595 C SER A 105 13.907 20.218 11.577 1.00 0.00 C ATOM 1596 O SER A 105 14.209 21.406 11.468 1.00 0.00 O ATOM 1597 CB SER A 105 14.629 19.220 9.398 1.00 0.00 C ATOM 1598 OG SER A 105 15.716 18.575 10.038 1.00 0.00 O ATOM 0 H SER A 105 12.581 20.968 9.263 1.00 0.00 H new ATOM 0 HA SER A 105 13.113 18.434 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.306 18.630 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.951 20.189 9.016 1.00 0.00 H new ATOM 0 HG SER A 105 16.452 18.463 9.400 1.00 0.00 H new ATOM 1604 N SER A 106 13.951 19.563 12.732 1.00 0.00 N ATOM 1605 CA SER A 106 14.361 20.219 13.968 1.00 0.00 C ATOM 1606 C SER A 106 15.880 20.208 14.110 1.00 0.00 C ATOM 1607 O SER A 106 16.479 19.176 14.408 1.00 0.00 O ATOM 1608 CB SER A 106 13.719 19.529 15.174 1.00 0.00 C ATOM 1609 OG SER A 106 14.124 20.141 16.386 1.00 0.00 O ATOM 0 H SER A 106 13.708 18.578 12.838 1.00 0.00 H new ATOM 0 HA SER A 106 14.024 21.255 13.930 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.633 19.572 15.086 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.997 18.475 15.184 1.00 0.00 H new ATOM 0 HG SER A 106 13.699 19.683 17.141 1.00 0.00 H new ATOM 1615 N GLY A 107 16.497 21.366 13.895 1.00 0.00 N ATOM 1616 CA GLY A 107 17.940 21.469 14.004 1.00 0.00 C ATOM 1617 C GLY A 107 18.372 22.435 15.089 1.00 0.00 C ATOM 1618 O GLY A 107 17.807 22.443 16.183 1.00 0.00 O ATOM 0 H GLY A 107 16.023 22.234 13.647 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.357 20.484 14.212 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.351 21.794 13.048 1.00 0.00 H new TER 1622 GLY A 107