USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 715 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 7 THR OG1 : rot -48:sc= 0.269! USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= -2.06 K(o=-2.4,f=-4.2!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.382 X(o=-2.4,f=-2.4) USER MOD Single : A 1 VAL N :NH3+ 142:sc= -0.427 (180deg=-0.83) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 69:sc= 0.12 USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= -0.0215 (180deg=-0.259) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -130:sc= -1.94 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 156:sc= 0 (180deg=-0.595) USER MOD Single : A 36 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.56) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 170:sc= -2.97 (180deg=-3.29) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 90:sc= 0.228 USER MOD Single : A 61 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.72) USER MOD Single : A 65 ASN : amide:sc= -4.66! C(o=-4.7!,f=-4.9!) USER MOD Single : A 70 THR OG1 : rot -170:sc= 0.437 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.893 X(o=-0.89,f=-0.72) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 15:sc= -0.344 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.643 12.712 23.141 1.00 0.00 N ATOM 2 CA VAL A 1 -0.041 13.577 24.143 1.00 0.00 C ATOM 3 C VAL A 1 0.893 13.865 25.312 1.00 0.00 C ATOM 4 O VAL A 1 0.809 13.219 26.357 1.00 0.00 O ATOM 5 CB VAL A 1 -1.314 12.913 24.657 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.366 12.844 23.554 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.010 11.517 25.194 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.037 12.028 22.751 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.019 13.302 22.372 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.424 12.201 23.599 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.310 14.513 23.654 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.711 13.517 25.473 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.267 12.367 23.940 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.605 13.852 23.216 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.978 12.263 22.717 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.930 11.058 25.556 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.589 10.904 24.397 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.294 11.590 26.013 1.00 0.00 H new ATOM 19 N PRO A 2 1.800 14.844 25.151 1.00 0.00 N ATOM 20 CA PRO A 2 2.755 15.217 26.201 1.00 0.00 C ATOM 21 C PRO A 2 2.107 16.070 27.286 1.00 0.00 C ATOM 22 O PRO A 2 0.962 16.499 27.150 1.00 0.00 O ATOM 23 CB PRO A 2 3.826 16.005 25.461 1.00 0.00 C ATOM 24 CG PRO A 2 3.154 16.552 24.242 1.00 0.00 C ATOM 25 CD PRO A 2 1.969 15.664 23.939 1.00 0.00 C ATOM 0 HA PRO A 2 3.149 14.344 26.721 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.222 16.807 26.083 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.667 15.366 25.191 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.830 17.579 24.411 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.845 16.570 23.399 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.076 16.253 23.731 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.153 15.043 23.062 1.00 0.00 H new ATOM 33 N LYS A 3 2.847 16.311 28.363 1.00 0.00 N ATOM 34 CA LYS A 3 2.346 17.113 29.474 1.00 0.00 C ATOM 35 C LYS A 3 3.495 17.837 30.161 1.00 0.00 C ATOM 36 O LYS A 3 3.794 17.582 31.327 1.00 0.00 O ATOM 37 CB LYS A 3 1.622 16.220 30.478 1.00 0.00 C ATOM 38 CG LYS A 3 0.723 15.208 29.774 1.00 0.00 C ATOM 39 CD LYS A 3 -0.211 14.518 30.764 1.00 0.00 C ATOM 40 CE LYS A 3 -1.335 13.779 30.044 1.00 0.00 C ATOM 41 NZ LYS A 3 -0.826 12.564 29.347 1.00 0.00 N ATOM 0 H LYS A 3 3.797 15.962 28.490 1.00 0.00 H new ATOM 0 HA LYS A 3 1.646 17.852 29.084 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.352 15.694 31.093 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.024 16.835 31.150 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.136 15.712 29.006 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.337 14.462 29.268 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.357 13.815 31.374 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.636 15.258 31.443 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.104 13.493 30.762 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.806 14.445 29.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.614 12.083 28.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.110 12.841 28.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.399 11.919 30.042 1.00 0.00 H new ATOM 55 N VAL A 4 4.141 18.741 29.427 1.00 0.00 N ATOM 56 CA VAL A 4 5.266 19.511 29.955 1.00 0.00 C ATOM 57 C VAL A 4 6.244 18.596 30.690 1.00 0.00 C ATOM 58 O VAL A 4 6.127 17.372 30.641 1.00 0.00 O ATOM 59 CB VAL A 4 4.740 20.643 30.862 1.00 0.00 C ATOM 60 CG1 VAL A 4 4.512 20.187 32.308 1.00 0.00 C ATOM 61 CG2 VAL A 4 5.665 21.857 30.817 1.00 0.00 C ATOM 0 H VAL A 4 3.903 18.959 28.459 1.00 0.00 H new ATOM 0 HA VAL A 4 5.814 19.968 29.131 1.00 0.00 H new ATOM 0 HB VAL A 4 3.767 20.931 30.465 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.142 21.024 32.900 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.779 19.380 32.324 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.452 19.832 32.730 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.270 22.639 31.465 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.659 21.570 31.159 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.727 22.230 29.795 1.00 0.00 H new ATOM 71 N THR A 5 7.201 19.205 31.366 1.00 0.00 N ATOM 72 CA THR A 5 8.208 18.461 32.117 1.00 0.00 C ATOM 73 C THR A 5 9.140 19.417 32.849 1.00 0.00 C ATOM 74 O THR A 5 9.074 20.632 32.662 1.00 0.00 O ATOM 75 CB THR A 5 9.016 17.576 31.171 1.00 0.00 C ATOM 76 OG1 THR A 5 8.999 18.121 29.861 1.00 0.00 O ATOM 77 CG2 THR A 5 8.461 16.154 31.153 1.00 0.00 C ATOM 0 H THR A 5 7.306 20.218 31.413 1.00 0.00 H new ATOM 0 HA THR A 5 7.701 17.835 32.851 1.00 0.00 H new ATOM 0 HB THR A 5 10.045 17.539 31.530 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.521 17.548 29.261 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.052 15.541 30.472 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.510 15.732 32.157 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.424 16.172 30.817 1.00 0.00 H new ATOM 85 N PHE A 6 10.012 18.858 33.681 1.00 0.00 N ATOM 86 CA PHE A 6 10.967 19.653 34.445 1.00 0.00 C ATOM 87 C PHE A 6 12.306 18.932 34.518 1.00 0.00 C ATOM 88 O PHE A 6 12.423 17.779 34.103 1.00 0.00 O ATOM 89 CB PHE A 6 10.433 19.903 35.853 1.00 0.00 C ATOM 90 CG PHE A 6 9.071 20.550 35.854 1.00 0.00 C ATOM 91 CD1 PHE A 6 7.935 19.770 35.730 1.00 0.00 C ATOM 92 CD2 PHE A 6 8.955 21.925 35.978 1.00 0.00 C ATOM 93 CE1 PHE A 6 6.683 20.361 35.730 1.00 0.00 C ATOM 94 CE2 PHE A 6 7.703 22.518 35.977 1.00 0.00 C ATOM 95 CZ PHE A 6 6.567 21.736 35.853 1.00 0.00 C ATOM 0 H PHE A 6 10.077 17.853 33.844 1.00 0.00 H new ATOM 0 HA PHE A 6 11.107 20.611 33.944 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.381 18.956 36.391 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.133 20.539 36.395 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.025 18.698 35.633 1.00 0.00 H new ATOM 0 HD2 PHE A 6 9.841 22.535 36.075 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.797 19.750 35.634 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.613 23.590 36.073 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.591 22.198 35.852 1.00 0.00 H new ATOM 105 N THR A 7 13.314 19.615 35.048 1.00 0.00 N ATOM 106 CA THR A 7 14.647 19.035 35.174 1.00 0.00 C ATOM 107 C THR A 7 15.511 19.886 36.093 1.00 0.00 C ATOM 108 O THR A 7 15.862 21.018 35.758 1.00 0.00 O ATOM 109 CB THR A 7 15.304 18.927 33.800 1.00 0.00 C ATOM 110 OG1 THR A 7 14.343 18.543 32.830 1.00 0.00 O ATOM 111 CG2 THR A 7 16.451 17.922 33.827 1.00 0.00 C ATOM 0 H THR A 7 13.234 20.570 35.397 1.00 0.00 H new ATOM 0 HA THR A 7 14.552 18.038 35.604 1.00 0.00 H new ATOM 0 HB THR A 7 15.709 19.904 33.534 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.827 17.780 33.165 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.905 17.861 32.838 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.200 18.244 34.550 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.069 16.942 34.112 1.00 0.00 H new ATOM 119 N VAL A 8 15.855 19.335 37.252 1.00 0.00 N ATOM 120 CA VAL A 8 16.684 20.044 38.219 1.00 0.00 C ATOM 121 C VAL A 8 18.028 20.399 37.597 1.00 0.00 C ATOM 122 O VAL A 8 18.828 19.519 37.282 1.00 0.00 O ATOM 123 CB VAL A 8 16.896 19.178 39.457 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.520 19.998 40.583 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.575 18.562 39.912 1.00 0.00 C ATOM 0 H VAL A 8 15.572 18.400 37.544 1.00 0.00 H new ATOM 0 HA VAL A 8 16.177 20.964 38.511 1.00 0.00 H new ATOM 0 HB VAL A 8 17.581 18.371 39.199 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.664 19.364 41.458 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.483 20.390 40.257 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.859 20.826 40.840 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.745 17.948 40.796 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.867 19.355 40.152 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.168 17.943 39.113 1.00 0.00 H new ATOM 135 N GLU A 9 18.268 21.694 37.414 1.00 0.00 N ATOM 136 CA GLU A 9 19.514 22.165 36.821 1.00 0.00 C ATOM 137 C GLU A 9 20.625 22.199 37.862 1.00 0.00 C ATOM 138 O GLU A 9 20.387 21.975 39.049 1.00 0.00 O ATOM 139 CB GLU A 9 19.315 23.555 36.226 1.00 0.00 C ATOM 140 CG GLU A 9 19.154 23.485 34.711 1.00 0.00 C ATOM 141 CD GLU A 9 20.336 24.155 34.023 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.922 25.085 34.616 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.673 23.750 32.890 1.00 0.00 O ATOM 0 H GLU A 9 17.615 22.436 37.668 1.00 0.00 H new ATOM 0 HA GLU A 9 19.803 21.474 36.029 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.434 24.020 36.667 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.168 24.186 36.476 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.082 22.445 34.394 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.226 23.974 34.414 1.00 0.00 H new ATOM 150 N LYS A 10 21.842 22.480 37.408 1.00 0.00 N ATOM 151 CA LYS A 10 22.999 22.544 38.295 1.00 0.00 C ATOM 152 C LYS A 10 22.977 23.834 39.104 1.00 0.00 C ATOM 153 O LYS A 10 22.404 24.836 38.678 1.00 0.00 O ATOM 154 CB LYS A 10 24.285 22.464 37.477 1.00 0.00 C ATOM 155 CG LYS A 10 25.414 21.829 38.284 1.00 0.00 C ATOM 156 CD LYS A 10 25.800 20.466 37.716 1.00 0.00 C ATOM 157 CE LYS A 10 26.447 19.586 38.782 1.00 0.00 C ATOM 158 NZ LYS A 10 26.497 18.161 38.350 1.00 0.00 N ATOM 0 H LYS A 10 22.053 22.668 36.428 1.00 0.00 H new ATOM 0 HA LYS A 10 22.959 21.700 38.984 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.108 21.881 36.573 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.580 23.464 37.159 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.283 22.487 38.279 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.104 21.718 39.323 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.914 19.970 37.320 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.490 20.599 36.883 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.457 19.942 38.987 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.886 19.667 39.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.942 17.588 39.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.531 17.816 38.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.053 18.083 37.475 1.00 0.00 H new ATOM 172 N GLY A 11 23.606 23.803 40.274 1.00 0.00 N ATOM 173 CA GLY A 11 23.661 24.970 41.148 1.00 0.00 C ATOM 174 C GLY A 11 22.554 24.921 42.194 1.00 0.00 C ATOM 175 O GLY A 11 22.151 25.951 42.732 1.00 0.00 O ATOM 0 H GLY A 11 24.086 22.981 40.640 1.00 0.00 H new ATOM 0 HA2 GLY A 11 24.632 25.013 41.642 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.565 25.879 40.554 1.00 0.00 H new ATOM 179 N SER A 12 22.066 23.717 42.481 1.00 0.00 N ATOM 180 CA SER A 12 21.004 23.535 43.466 1.00 0.00 C ATOM 181 C SER A 12 21.581 23.564 44.877 1.00 0.00 C ATOM 182 O SER A 12 22.523 22.835 45.187 1.00 0.00 O ATOM 183 CB SER A 12 20.294 22.207 43.223 1.00 0.00 C ATOM 184 OG SER A 12 19.750 22.165 41.913 1.00 0.00 O ATOM 0 H SER A 12 22.389 22.853 42.045 1.00 0.00 H new ATOM 0 HA SER A 12 20.287 24.349 43.364 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.995 21.383 43.358 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.500 22.073 43.957 1.00 0.00 H new ATOM 0 HG SER A 12 20.478 22.124 41.258 1.00 0.00 H new ATOM 190 N ASN A 13 21.011 24.411 45.729 1.00 0.00 N ATOM 191 CA ASN A 13 21.473 24.535 47.110 1.00 0.00 C ATOM 192 C ASN A 13 20.373 24.106 48.073 1.00 0.00 C ATOM 193 O ASN A 13 19.426 23.422 47.684 1.00 0.00 O ATOM 194 CB ASN A 13 21.890 25.977 47.409 1.00 0.00 C ATOM 195 CG ASN A 13 22.621 26.586 46.217 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.398 27.746 45.867 1.00 0.00 O ATOM 197 ND2 ASN A 13 23.493 25.804 45.592 1.00 0.00 N ATOM 0 H ASN A 13 20.230 25.021 45.489 1.00 0.00 H new ATOM 0 HA ASN A 13 22.338 23.885 47.243 1.00 0.00 H new ATOM 0 HB2 ASN A 13 21.009 26.574 47.645 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.535 25.999 48.287 1.00 0.00 H new ATOM 0 HD21 ASN A 13 24.010 26.158 44.787 1.00 0.00 H new ATOM 0 HD22 ASN A 13 23.646 24.849 45.917 1.00 0.00 H new ATOM 204 N GLU A 14 20.503 24.511 49.333 1.00 0.00 N ATOM 205 CA GLU A 14 19.520 24.168 50.355 1.00 0.00 C ATOM 206 C GLU A 14 18.116 24.527 49.886 1.00 0.00 C ATOM 207 O GLU A 14 17.228 23.675 49.843 1.00 0.00 O ATOM 208 CB GLU A 14 19.838 24.906 51.653 1.00 0.00 C ATOM 209 CG GLU A 14 20.004 23.932 52.816 1.00 0.00 C ATOM 210 CD GLU A 14 21.461 23.511 52.947 1.00 0.00 C ATOM 211 OE1 GLU A 14 22.312 24.383 53.221 1.00 0.00 O ATOM 212 OE2 GLU A 14 21.751 22.308 52.775 1.00 0.00 O ATOM 0 H GLU A 14 21.281 25.078 49.671 1.00 0.00 H new ATOM 0 HA GLU A 14 19.565 23.094 50.533 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.752 25.488 51.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.039 25.612 51.878 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.669 24.399 53.742 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.377 23.054 52.657 1.00 0.00 H new ATOM 219 N LYS A 15 17.920 25.795 49.539 1.00 0.00 N ATOM 220 CA LYS A 15 16.620 26.271 49.077 1.00 0.00 C ATOM 221 C LYS A 15 16.640 26.512 47.572 1.00 0.00 C ATOM 222 O LYS A 15 15.610 26.412 46.906 1.00 0.00 O ATOM 223 CB LYS A 15 16.253 27.561 49.804 1.00 0.00 C ATOM 224 CG LYS A 15 17.301 28.645 49.570 1.00 0.00 C ATOM 225 CD LYS A 15 18.097 28.926 50.840 1.00 0.00 C ATOM 226 CE LYS A 15 17.220 29.572 51.909 1.00 0.00 C ATOM 227 NZ LYS A 15 17.037 28.668 53.079 1.00 0.00 N ATOM 0 H LYS A 15 18.645 26.512 49.569 1.00 0.00 H new ATOM 0 HA LYS A 15 15.873 25.508 49.296 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.280 27.912 49.459 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.161 27.366 50.872 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.978 28.334 48.775 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.813 29.560 49.234 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.516 27.996 51.223 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.936 29.582 50.609 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.673 30.508 52.237 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.248 29.820 51.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.086 28.804 53.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.146 27.680 52.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.751 28.888 53.803 1.00 0.00 H new ATOM 241 N HIS A 16 17.816 26.831 47.041 1.00 0.00 N ATOM 242 CA HIS A 16 17.965 27.088 45.613 1.00 0.00 C ATOM 243 C HIS A 16 17.502 25.885 44.804 1.00 0.00 C ATOM 244 O HIS A 16 18.130 24.826 44.833 1.00 0.00 O ATOM 245 CB HIS A 16 19.422 27.401 45.285 1.00 0.00 C ATOM 246 CG HIS A 16 19.744 28.859 45.395 1.00 0.00 C ATOM 247 ND1 HIS A 16 19.949 29.496 46.591 1.00 0.00 N ATOM 248 CD2 HIS A 16 19.901 29.824 44.452 1.00 0.00 C ATOM 249 CE1 HIS A 16 20.215 30.769 46.407 1.00 0.00 C ATOM 250 NE2 HIS A 16 20.195 31.008 45.105 1.00 0.00 N ATOM 0 H HIS A 16 18.679 26.918 47.578 1.00 0.00 H new ATOM 0 HA HIS A 16 17.347 27.947 45.351 1.00 0.00 H new ATOM 0 HB2 HIS A 16 20.069 26.839 45.958 1.00 0.00 H new ATOM 0 HB3 HIS A 16 19.643 27.061 44.273 1.00 0.00 H new ATOM 0 HD2 HIS A 16 19.812 29.691 43.384 1.00 0.00 H new ATOM 0 HE1 HIS A 16 20.415 31.494 47.182 1.00 0.00 H new ATOM 0 HE2 HIS A 16 20.367 31.910 44.660 1.00 0.00 H new ATOM 258 N LEU A 17 16.404 26.055 44.078 1.00 0.00 N ATOM 259 CA LEU A 17 15.857 24.983 43.254 1.00 0.00 C ATOM 260 C LEU A 17 15.804 25.424 41.799 1.00 0.00 C ATOM 261 O LEU A 17 14.896 26.147 41.389 1.00 0.00 O ATOM 262 CB LEU A 17 14.461 24.604 43.745 1.00 0.00 C ATOM 263 CG LEU A 17 14.311 23.092 43.918 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.278 22.396 42.561 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.438 22.529 44.781 1.00 0.00 C ATOM 0 H LEU A 17 15.874 26.926 44.043 1.00 0.00 H new ATOM 0 HA LEU A 17 16.503 24.108 43.333 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.263 25.100 44.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.716 24.964 43.036 1.00 0.00 H new ATOM 0 HG LEU A 17 13.366 22.902 44.426 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.171 21.321 42.706 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.434 22.770 41.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.205 22.599 42.025 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.310 21.452 44.890 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.397 22.734 44.306 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.413 22.999 45.764 1.00 0.00 H new ATOM 277 N ALA A 18 16.792 24.987 41.025 1.00 0.00 N ATOM 278 CA ALA A 18 16.873 25.337 39.610 1.00 0.00 C ATOM 279 C ALA A 18 16.249 24.244 38.753 1.00 0.00 C ATOM 280 O ALA A 18 16.590 23.068 38.884 1.00 0.00 O ATOM 281 CB ALA A 18 18.331 25.540 39.207 1.00 0.00 C ATOM 0 H ALA A 18 17.550 24.389 41.354 1.00 0.00 H new ATOM 0 HA ALA A 18 16.322 26.264 39.450 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.383 25.801 38.150 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.764 26.345 39.801 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.888 24.620 39.382 1.00 0.00 H new ATOM 287 N VAL A 19 15.335 24.639 37.873 1.00 0.00 N ATOM 288 CA VAL A 19 14.662 23.695 36.988 1.00 0.00 C ATOM 289 C VAL A 19 14.824 24.127 35.537 1.00 0.00 C ATOM 290 O VAL A 19 14.785 25.318 35.226 1.00 0.00 O ATOM 291 CB VAL A 19 13.181 23.612 37.345 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.003 23.176 38.796 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.495 24.953 37.101 1.00 0.00 C ATOM 0 H VAL A 19 15.043 25.609 37.754 1.00 0.00 H new ATOM 0 HA VAL A 19 15.114 22.711 37.114 1.00 0.00 H new ATOM 0 HB VAL A 19 12.715 22.865 36.702 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.940 23.123 39.032 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.456 22.195 38.939 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.485 23.898 39.455 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.439 24.874 37.361 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.965 25.719 37.718 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.590 25.224 36.050 1.00 0.00 H new ATOM 303 N LEU A 20 15.007 23.154 34.651 1.00 0.00 N ATOM 304 CA LEU A 20 15.176 23.435 33.229 1.00 0.00 C ATOM 305 C LEU A 20 13.830 23.395 32.516 1.00 0.00 C ATOM 306 O LEU A 20 13.593 22.539 31.664 1.00 0.00 O ATOM 307 CB LEU A 20 16.127 22.417 32.608 1.00 0.00 C ATOM 308 CG LEU A 20 17.071 23.078 31.607 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.354 22.265 31.466 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.389 23.242 30.252 1.00 0.00 C ATOM 0 H LEU A 20 15.042 22.163 34.892 1.00 0.00 H new ATOM 0 HA LEU A 20 15.599 24.433 33.117 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.707 21.932 33.393 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.552 21.637 32.109 1.00 0.00 H new ATOM 0 HG LEU A 20 17.330 24.068 31.982 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.015 22.751 30.749 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.852 22.201 32.433 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.112 21.262 31.115 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.078 23.715 29.553 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.099 22.263 29.870 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.502 23.865 30.364 1.00 0.00 H new ATOM 322 N VAL A 21 12.950 24.327 32.871 1.00 0.00 N ATOM 323 CA VAL A 21 11.625 24.400 32.265 1.00 0.00 C ATOM 324 C VAL A 21 11.733 24.811 30.802 1.00 0.00 C ATOM 325 O VAL A 21 11.766 25.999 30.482 1.00 0.00 O ATOM 326 CB VAL A 21 10.759 25.402 33.023 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.303 25.296 32.576 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.876 25.180 34.528 1.00 0.00 C ATOM 0 H VAL A 21 13.131 25.042 33.575 1.00 0.00 H new ATOM 0 HA VAL A 21 11.162 23.415 32.319 1.00 0.00 H new ATOM 0 HB VAL A 21 11.116 26.407 32.796 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.700 26.018 33.127 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.234 25.505 31.508 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.934 24.289 32.773 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.252 25.904 35.052 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.546 24.171 34.774 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.914 25.307 34.835 1.00 0.00 H new ATOM 338 N LYS A 22 11.788 23.821 29.918 1.00 0.00 N ATOM 339 CA LYS A 22 11.894 24.079 28.486 1.00 0.00 C ATOM 340 C LYS A 22 11.404 22.876 27.691 1.00 0.00 C ATOM 341 O LYS A 22 11.598 21.730 28.096 1.00 0.00 O ATOM 342 CB LYS A 22 13.342 24.389 28.119 1.00 0.00 C ATOM 343 CG LYS A 22 13.431 25.101 26.773 1.00 0.00 C ATOM 344 CD LYS A 22 14.583 24.555 25.934 1.00 0.00 C ATOM 345 CE LYS A 22 14.184 24.417 24.467 1.00 0.00 C ATOM 346 NZ LYS A 22 14.177 25.740 23.780 1.00 0.00 N ATOM 0 H LYS A 22 11.761 22.832 30.167 1.00 0.00 H new ATOM 0 HA LYS A 22 11.270 24.938 28.240 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.790 25.012 28.893 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.916 23.463 28.082 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.493 24.978 26.231 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.569 26.170 26.933 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.443 25.219 26.018 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.890 23.584 26.322 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.878 23.746 23.961 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.195 23.964 24.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.902 25.613 22.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.497 26.371 24.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.127 26.160 23.826 1.00 0.00 H new ATOM 360 N TYR A 23 10.770 23.145 26.554 1.00 0.00 N ATOM 361 CA TYR A 23 10.252 22.085 25.694 1.00 0.00 C ATOM 362 C TYR A 23 10.194 22.561 24.248 1.00 0.00 C ATOM 363 O TYR A 23 10.636 23.666 23.931 1.00 0.00 O ATOM 364 CB TYR A 23 8.860 21.658 26.159 1.00 0.00 C ATOM 365 CG TYR A 23 8.025 22.799 26.691 1.00 0.00 C ATOM 366 CD1 TYR A 23 8.183 24.079 26.183 1.00 0.00 C ATOM 367 CD2 TYR A 23 7.095 22.566 27.690 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.413 25.120 26.674 1.00 0.00 C ATOM 369 CE2 TYR A 23 6.327 23.609 28.179 1.00 0.00 C ATOM 370 CZ TYR A 23 6.489 24.880 27.669 1.00 0.00 C ATOM 371 OH TYR A 23 5.724 25.915 28.157 1.00 0.00 O ATOM 0 H TYR A 23 10.602 24.089 26.206 1.00 0.00 H new ATOM 0 HA TYR A 23 10.923 21.228 25.757 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.335 21.192 25.326 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.962 20.900 26.936 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.907 24.265 25.404 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.969 21.570 28.088 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.536 26.117 26.279 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.602 23.428 28.959 1.00 0.00 H new ATOM 0 HH TYR A 23 5.765 25.919 29.136 1.00 0.00 H new ATOM 381 N GLU A 24 9.646 21.724 23.374 1.00 0.00 N ATOM 382 CA GLU A 24 9.530 22.064 21.960 1.00 0.00 C ATOM 383 C GLU A 24 8.064 22.170 21.559 1.00 0.00 C ATOM 384 O GLU A 24 7.420 21.166 21.255 1.00 0.00 O ATOM 385 CB GLU A 24 10.228 21.007 21.109 1.00 0.00 C ATOM 386 CG GLU A 24 10.950 21.641 19.924 1.00 0.00 C ATOM 387 CD GLU A 24 10.666 20.854 18.651 1.00 0.00 C ATOM 388 OE1 GLU A 24 10.567 19.611 18.729 1.00 0.00 O ATOM 389 OE2 GLU A 24 10.543 21.481 17.578 1.00 0.00 O ATOM 0 H GLU A 24 9.275 20.806 23.619 1.00 0.00 H new ATOM 0 HA GLU A 24 10.009 23.029 21.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.942 20.457 21.721 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.495 20.285 20.748 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.625 22.674 19.801 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.023 21.665 20.113 1.00 0.00 H new ATOM 396 N GLY A 25 7.542 23.392 21.558 1.00 0.00 N ATOM 397 CA GLY A 25 6.150 23.631 21.193 1.00 0.00 C ATOM 398 C GLY A 25 5.642 24.926 21.815 1.00 0.00 C ATOM 399 O GLY A 25 5.228 25.844 21.108 1.00 0.00 O ATOM 0 H GLY A 25 8.063 24.233 21.806 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.058 23.683 20.108 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.534 22.796 21.526 1.00 0.00 H new ATOM 403 N ASP A 26 5.676 24.993 23.142 1.00 0.00 N ATOM 404 CA ASP A 26 5.218 26.178 23.861 1.00 0.00 C ATOM 405 C ASP A 26 6.325 27.222 23.921 1.00 0.00 C ATOM 406 O ASP A 26 7.387 27.048 23.323 1.00 0.00 O ATOM 407 CB ASP A 26 4.783 25.797 25.273 1.00 0.00 C ATOM 408 CG ASP A 26 3.264 25.737 25.358 1.00 0.00 C ATOM 409 OD1 ASP A 26 2.634 26.803 25.523 1.00 0.00 O ATOM 410 OD2 ASP A 26 2.706 24.624 25.259 1.00 0.00 O ATOM 0 H ASP A 26 6.016 24.241 23.742 1.00 0.00 H new ATOM 0 HA ASP A 26 4.366 26.602 23.329 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.208 24.830 25.544 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.166 26.525 25.988 1.00 0.00 H new ATOM 415 N THR A 27 6.072 28.309 24.643 1.00 0.00 N ATOM 416 CA THR A 27 7.050 29.384 24.775 1.00 0.00 C ATOM 417 C THR A 27 7.249 29.752 26.240 1.00 0.00 C ATOM 418 O THR A 27 6.637 29.161 27.129 1.00 0.00 O ATOM 419 CB THR A 27 6.587 30.608 23.992 1.00 0.00 C ATOM 420 OG1 THR A 27 5.558 30.243 23.086 1.00 0.00 O ATOM 421 CG2 THR A 27 7.752 31.238 23.234 1.00 0.00 C ATOM 0 H THR A 27 5.199 28.469 25.145 1.00 0.00 H new ATOM 0 HA THR A 27 8.001 29.037 24.371 1.00 0.00 H new ATOM 0 HB THR A 27 6.199 31.342 24.698 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.265 31.034 22.588 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.399 32.109 22.683 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.523 31.544 23.941 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.168 30.511 22.536 1.00 0.00 H new ATOM 429 N MET A 28 8.111 30.734 26.482 1.00 0.00 N ATOM 430 CA MET A 28 8.401 31.191 27.837 1.00 0.00 C ATOM 431 C MET A 28 7.729 32.531 28.101 1.00 0.00 C ATOM 432 O MET A 28 7.960 33.502 27.381 1.00 0.00 O ATOM 433 CB MET A 28 9.904 31.335 28.021 1.00 0.00 C ATOM 434 CG MET A 28 10.625 30.015 27.759 1.00 0.00 C ATOM 435 SD MET A 28 12.112 30.231 26.768 1.00 0.00 S ATOM 436 CE MET A 28 13.191 28.992 27.502 1.00 0.00 C ATOM 0 H MET A 28 8.623 31.231 25.754 1.00 0.00 H new ATOM 0 HA MET A 28 8.014 30.455 28.542 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.284 32.100 27.343 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.117 31.673 29.035 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.889 29.553 28.710 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.948 29.329 27.249 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.950 28.696 26.778 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.675 29.408 28.386 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.602 28.120 27.787 1.00 0.00 H new ATOM 446 N ALA A 29 6.898 32.582 29.136 1.00 0.00 N ATOM 447 CA ALA A 29 6.195 33.810 29.489 1.00 0.00 C ATOM 448 C ALA A 29 6.387 34.138 30.965 1.00 0.00 C ATOM 449 O ALA A 29 6.807 35.242 31.313 1.00 0.00 O ATOM 450 CB ALA A 29 4.710 33.661 29.179 1.00 0.00 C ATOM 0 H ALA A 29 6.695 31.789 29.744 1.00 0.00 H new ATOM 0 HA ALA A 29 6.608 34.628 28.899 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.189 34.581 29.444 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.578 33.463 28.115 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.299 32.832 29.756 1.00 0.00 H new ATOM 456 N GLU A 30 6.076 33.178 31.831 1.00 0.00 N ATOM 457 CA GLU A 30 6.215 33.375 33.271 1.00 0.00 C ATOM 458 C GLU A 30 6.196 32.037 34.001 1.00 0.00 C ATOM 459 O GLU A 30 5.617 31.065 33.519 1.00 0.00 O ATOM 460 CB GLU A 30 5.085 34.264 33.783 1.00 0.00 C ATOM 461 CG GLU A 30 5.629 35.451 34.573 1.00 0.00 C ATOM 462 CD GLU A 30 5.308 35.290 36.054 1.00 0.00 C ATOM 463 OE1 GLU A 30 6.118 34.669 36.774 1.00 0.00 O ATOM 464 OE2 GLU A 30 4.248 35.786 36.491 1.00 0.00 O ATOM 0 H GLU A 30 5.727 32.258 31.562 1.00 0.00 H new ATOM 0 HA GLU A 30 7.172 33.860 33.465 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.493 34.625 32.942 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.417 33.679 34.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.707 35.526 34.433 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.194 36.377 34.198 1.00 0.00 H new ATOM 471 N VAL A 31 6.834 31.996 35.167 1.00 0.00 N ATOM 472 CA VAL A 31 6.895 30.777 35.970 1.00 0.00 C ATOM 473 C VAL A 31 6.630 31.101 37.435 1.00 0.00 C ATOM 474 O VAL A 31 7.133 32.095 37.959 1.00 0.00 O ATOM 475 CB VAL A 31 8.268 30.120 35.830 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.225 28.679 36.331 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.751 30.166 34.382 1.00 0.00 C ATOM 0 H VAL A 31 7.317 32.794 35.578 1.00 0.00 H new ATOM 0 HA VAL A 31 6.131 30.087 35.612 1.00 0.00 H new ATOM 0 HB VAL A 31 8.975 30.681 36.442 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.211 28.227 36.224 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.933 28.667 37.381 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.500 28.112 35.747 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.730 29.692 34.310 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.043 29.635 33.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.825 31.203 34.056 1.00 0.00 H new ATOM 487 N GLU A 32 5.837 30.263 38.096 1.00 0.00 N ATOM 488 CA GLU A 32 5.513 30.471 39.500 1.00 0.00 C ATOM 489 C GLU A 32 5.598 29.151 40.270 1.00 0.00 C ATOM 490 O GLU A 32 5.098 28.123 39.814 1.00 0.00 O ATOM 491 CB GLU A 32 4.122 31.123 39.615 1.00 0.00 C ATOM 492 CG GLU A 32 2.989 30.115 39.844 1.00 0.00 C ATOM 493 CD GLU A 32 1.639 30.768 39.579 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.612 31.845 38.947 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.610 30.202 40.004 1.00 0.00 O ATOM 0 H GLU A 32 5.408 29.435 37.681 1.00 0.00 H new ATOM 0 HA GLU A 32 6.240 31.148 39.950 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.132 31.839 40.437 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.917 31.686 38.705 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.120 29.255 39.187 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.026 29.743 40.868 1.00 0.00 H new ATOM 502 N LEU A 33 6.234 29.189 41.437 1.00 0.00 N ATOM 503 CA LEU A 33 6.385 27.997 42.266 1.00 0.00 C ATOM 504 C LEU A 33 5.441 28.051 43.461 1.00 0.00 C ATOM 505 O LEU A 33 4.697 29.016 43.638 1.00 0.00 O ATOM 506 CB LEU A 33 7.827 27.877 42.752 1.00 0.00 C ATOM 507 CG LEU A 33 8.522 26.670 42.128 1.00 0.00 C ATOM 508 CD1 LEU A 33 9.989 26.621 42.546 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.812 25.378 42.522 1.00 0.00 C ATOM 0 H LEU A 33 6.653 30.032 41.830 1.00 0.00 H new ATOM 0 HA LEU A 33 6.135 27.124 41.663 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.375 28.785 42.501 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.841 27.786 43.838 1.00 0.00 H new ATOM 0 HG LEU A 33 8.475 26.771 41.044 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.468 25.754 42.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.492 27.529 42.214 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.056 26.545 43.631 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.322 24.529 42.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.826 25.271 43.607 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.780 25.409 42.174 1.00 0.00 H new ATOM 521 N ARG A 34 5.479 27.003 44.278 1.00 0.00 N ATOM 522 CA ARG A 34 4.633 26.915 45.463 1.00 0.00 C ATOM 523 C ARG A 34 5.066 25.733 46.325 1.00 0.00 C ATOM 524 O ARG A 34 5.705 24.801 45.836 1.00 0.00 O ATOM 525 CB ARG A 34 3.172 26.755 45.045 1.00 0.00 C ATOM 526 CG ARG A 34 2.246 26.698 46.258 1.00 0.00 C ATOM 527 CD ARG A 34 0.794 26.484 45.838 1.00 0.00 C ATOM 528 NE ARG A 34 0.120 25.597 46.781 1.00 0.00 N ATOM 529 CZ ARG A 34 -0.753 26.057 47.673 1.00 0.00 C ATOM 530 NH1 ARG A 34 -0.333 26.483 48.856 1.00 0.00 N ATOM 531 NH2 ARG A 34 -2.046 26.091 47.381 1.00 0.00 N ATOM 0 H ARG A 34 6.091 26.198 44.140 1.00 0.00 H new ATOM 0 HA ARG A 34 4.736 27.831 46.045 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.883 27.588 44.404 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.058 25.845 44.456 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.558 25.890 46.919 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.330 27.625 46.826 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.276 27.442 45.795 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.757 26.056 44.836 1.00 0.00 H new ATOM 0 HE ARG A 34 0.324 24.598 46.755 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.661 26.458 49.083 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.004 26.835 49.539 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.372 25.764 46.472 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.714 26.444 48.066 1.00 0.00 H new ATOM 545 N GLU A 35 4.714 25.772 47.606 1.00 0.00 N ATOM 546 CA GLU A 35 5.066 24.699 48.529 1.00 0.00 C ATOM 547 C GLU A 35 3.802 24.044 49.060 1.00 0.00 C ATOM 548 O GLU A 35 3.370 23.007 48.558 1.00 0.00 O ATOM 549 CB GLU A 35 5.893 25.252 49.687 1.00 0.00 C ATOM 550 CG GLU A 35 7.330 25.534 49.260 1.00 0.00 C ATOM 551 CD GLU A 35 7.398 26.821 48.449 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.144 27.900 49.025 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.704 26.749 47.241 1.00 0.00 O ATOM 0 H GLU A 35 4.185 26.535 48.029 1.00 0.00 H new ATOM 0 HA GLU A 35 5.659 23.954 47.998 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.435 26.169 50.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.890 24.539 50.511 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.968 25.616 50.140 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.710 24.702 48.667 1.00 0.00 H new ATOM 560 N HIS A 36 3.202 24.664 50.073 1.00 0.00 N ATOM 561 CA HIS A 36 1.972 24.153 50.670 1.00 0.00 C ATOM 562 C HIS A 36 1.662 24.892 51.966 1.00 0.00 C ATOM 563 O HIS A 36 2.437 24.843 52.922 1.00 0.00 O ATOM 564 CB HIS A 36 2.093 22.653 50.943 1.00 0.00 C ATOM 565 CG HIS A 36 1.147 21.837 50.118 1.00 0.00 C ATOM 566 ND1 HIS A 36 1.557 20.852 49.257 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.206 21.854 50.013 1.00 0.00 C ATOM 568 CE1 HIS A 36 0.530 20.294 48.658 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.570 20.883 49.097 1.00 0.00 N ATOM 0 H HIS A 36 3.549 25.524 50.498 1.00 0.00 H new ATOM 0 HA HIS A 36 1.156 24.318 49.966 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.115 22.332 50.740 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.903 22.464 52.000 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.878 22.508 50.548 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.576 19.494 47.934 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.523 20.660 48.810 1.00 0.00 H new ATOM 577 N GLY A 37 0.522 25.575 51.991 1.00 0.00 N ATOM 578 CA GLY A 37 0.102 26.326 53.169 1.00 0.00 C ATOM 579 C GLY A 37 1.207 27.264 53.635 1.00 0.00 C ATOM 580 O GLY A 37 1.417 27.444 54.834 1.00 0.00 O ATOM 0 H GLY A 37 -0.129 25.624 51.207 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.795 26.900 52.939 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.158 25.636 53.972 1.00 0.00 H new ATOM 584 N SER A 38 1.911 27.860 52.679 1.00 0.00 N ATOM 585 CA SER A 38 2.998 28.782 52.991 1.00 0.00 C ATOM 586 C SER A 38 2.552 30.223 52.777 1.00 0.00 C ATOM 587 O SER A 38 2.268 30.943 53.735 1.00 0.00 O ATOM 588 CB SER A 38 4.207 28.477 52.111 1.00 0.00 C ATOM 589 OG SER A 38 5.141 29.543 52.160 1.00 0.00 O ATOM 0 H SER A 38 1.749 27.721 51.682 1.00 0.00 H new ATOM 0 HA SER A 38 3.274 28.654 54.038 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.682 27.554 52.444 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.884 28.316 51.082 1.00 0.00 H new ATOM 0 HG SER A 38 5.910 29.330 51.592 1.00 0.00 H new ATOM 595 N ASP A 39 2.492 30.640 51.517 1.00 0.00 N ATOM 596 CA ASP A 39 2.081 31.998 51.176 1.00 0.00 C ATOM 597 C ASP A 39 1.568 32.054 49.743 1.00 0.00 C ATOM 598 O ASP A 39 2.022 32.871 48.943 1.00 0.00 O ATOM 599 CB ASP A 39 3.259 32.955 51.343 1.00 0.00 C ATOM 600 CG ASP A 39 2.815 34.219 52.067 1.00 0.00 C ATOM 601 OD1 ASP A 39 1.598 34.499 52.086 1.00 0.00 O ATOM 602 OD2 ASP A 39 3.686 34.928 52.614 1.00 0.00 O ATOM 0 H ASP A 39 2.723 30.056 50.713 1.00 0.00 H new ATOM 0 HA ASP A 39 1.276 32.298 51.847 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.056 32.467 51.904 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.669 33.212 50.366 1.00 0.00 H new ATOM 607 N GLU A 40 0.621 31.179 49.423 1.00 0.00 N ATOM 608 CA GLU A 40 0.050 31.129 48.082 1.00 0.00 C ATOM 609 C GLU A 40 1.156 30.964 47.049 1.00 0.00 C ATOM 610 O GLU A 40 2.337 30.922 47.394 1.00 0.00 O ATOM 611 CB GLU A 40 -0.736 32.408 47.804 1.00 0.00 C ATOM 612 CG GLU A 40 -2.223 32.115 47.630 1.00 0.00 C ATOM 613 CD GLU A 40 -3.035 32.881 48.665 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.755 34.081 48.874 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.951 32.281 49.267 1.00 0.00 O ATOM 0 H GLU A 40 0.233 30.495 50.073 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.624 30.275 48.016 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.595 33.111 48.625 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.349 32.887 46.905 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.541 32.397 46.626 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.405 31.045 47.734 1.00 0.00 H new ATOM 622 N TRP A 41 0.773 30.871 45.780 1.00 0.00 N ATOM 623 CA TRP A 41 1.742 30.711 44.701 1.00 0.00 C ATOM 624 C TRP A 41 2.714 31.882 44.691 1.00 0.00 C ATOM 625 O TRP A 41 2.313 33.037 44.841 1.00 0.00 O ATOM 626 CB TRP A 41 1.024 30.617 43.358 1.00 0.00 C ATOM 627 CG TRP A 41 0.199 29.374 43.234 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.115 29.227 43.582 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.632 28.091 42.730 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.499 27.943 43.319 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.465 27.224 42.802 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.838 27.594 42.227 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.389 25.904 42.393 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.920 26.271 41.815 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.816 25.433 41.898 1.00 0.00 C ATOM 0 H TRP A 41 -0.199 30.904 45.473 1.00 0.00 H new ATOM 0 HA TRP A 41 2.301 29.790 44.867 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.382 31.489 43.231 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.760 30.643 42.554 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.746 29.999 43.997 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.434 27.573 43.487 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.703 28.237 42.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.250 25.255 42.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.852 25.889 41.426 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.897 24.406 41.574 1.00 0.00 H new ATOM 646 N VAL A 42 3.994 31.577 44.511 1.00 0.00 N ATOM 647 CA VAL A 42 5.029 32.604 44.480 1.00 0.00 C ATOM 648 C VAL A 42 5.747 32.585 43.139 1.00 0.00 C ATOM 649 O VAL A 42 6.463 31.636 42.819 1.00 0.00 O ATOM 650 CB VAL A 42 6.028 32.376 45.612 1.00 0.00 C ATOM 651 CG1 VAL A 42 5.337 32.498 46.968 1.00 0.00 C ATOM 652 CG2 VAL A 42 6.700 31.013 45.473 1.00 0.00 C ATOM 0 H VAL A 42 4.340 30.626 44.384 1.00 0.00 H new ATOM 0 HA VAL A 42 4.560 33.579 44.614 1.00 0.00 H new ATOM 0 HB VAL A 42 6.799 33.144 45.548 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.064 32.333 47.763 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.909 33.495 47.070 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.544 31.753 47.041 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.408 30.871 46.290 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.943 30.229 45.508 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.229 30.964 44.521 1.00 0.00 H new ATOM 662 N ALA A 43 5.552 33.639 42.353 1.00 0.00 N ATOM 663 CA ALA A 43 6.181 33.742 41.042 1.00 0.00 C ATOM 664 C ALA A 43 7.683 33.512 41.158 1.00 0.00 C ATOM 665 O ALA A 43 8.326 34.007 42.084 1.00 0.00 O ATOM 666 CB ALA A 43 5.911 35.118 40.439 1.00 0.00 C ATOM 0 H ALA A 43 4.963 34.434 42.602 1.00 0.00 H new ATOM 0 HA ALA A 43 5.757 32.978 40.390 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.385 35.185 39.460 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.836 35.264 40.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.319 35.888 41.093 1.00 0.00 H new ATOM 672 N MET A 44 8.236 32.755 40.217 1.00 0.00 N ATOM 673 CA MET A 44 9.662 32.454 40.216 1.00 0.00 C ATOM 674 C MET A 44 10.476 33.724 40.020 1.00 0.00 C ATOM 675 O MET A 44 9.937 34.831 40.043 1.00 0.00 O ATOM 676 CB MET A 44 9.976 31.461 39.103 1.00 0.00 C ATOM 677 CG MET A 44 10.070 30.040 39.642 1.00 0.00 C ATOM 678 SD MET A 44 11.772 29.477 39.808 1.00 0.00 S ATOM 679 CE MET A 44 11.619 27.769 39.261 1.00 0.00 C ATOM 0 H MET A 44 7.717 32.338 39.444 1.00 0.00 H new ATOM 0 HA MET A 44 9.928 32.017 41.178 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.201 31.512 38.338 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.916 31.734 38.624 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.578 29.990 40.613 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.531 29.366 38.976 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.612 27.336 39.137 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.065 27.197 40.005 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.088 27.738 38.310 1.00 0.00 H new ATOM 689 N THR A 45 11.779 33.556 39.822 1.00 0.00 N ATOM 690 CA THR A 45 12.676 34.688 39.616 1.00 0.00 C ATOM 691 C THR A 45 13.669 34.372 38.508 1.00 0.00 C ATOM 692 O THR A 45 14.560 33.539 38.678 1.00 0.00 O ATOM 693 CB THR A 45 13.422 35.009 40.908 1.00 0.00 C ATOM 694 OG1 THR A 45 12.496 35.235 41.960 1.00 0.00 O ATOM 695 CG2 THR A 45 14.316 36.232 40.726 1.00 0.00 C ATOM 0 H THR A 45 12.238 32.646 39.800 1.00 0.00 H new ATOM 0 HA THR A 45 12.085 35.556 39.325 1.00 0.00 H new ATOM 0 HB THR A 45 14.052 34.157 41.163 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.983 35.439 42.786 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.838 36.443 41.659 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.044 36.037 39.939 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.705 37.091 40.450 1.00 0.00 H new ATOM 703 N LYS A 46 13.510 35.038 37.369 1.00 0.00 N ATOM 704 CA LYS A 46 14.393 34.821 36.231 1.00 0.00 C ATOM 705 C LYS A 46 15.762 35.432 36.494 1.00 0.00 C ATOM 706 O LYS A 46 16.090 36.498 35.973 1.00 0.00 O ATOM 707 CB LYS A 46 13.781 35.424 34.969 1.00 0.00 C ATOM 708 CG LYS A 46 12.375 34.883 34.727 1.00 0.00 C ATOM 709 CD LYS A 46 11.662 35.666 33.629 1.00 0.00 C ATOM 710 CE LYS A 46 12.087 35.187 32.244 1.00 0.00 C ATOM 711 NZ LYS A 46 11.663 36.147 31.185 1.00 0.00 N ATOM 0 H LYS A 46 12.779 35.731 37.210 1.00 0.00 H new ATOM 0 HA LYS A 46 14.515 33.748 36.086 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.745 36.509 35.061 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.414 35.198 34.111 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.431 33.831 34.449 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.798 34.939 35.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.584 35.554 33.740 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.884 36.728 33.733 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.170 35.066 32.215 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.651 34.208 32.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.966 35.794 30.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.628 36.243 31.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.099 37.074 31.362 1.00 0.00 H new ATOM 725 N GLY A 47 16.560 34.745 37.305 1.00 0.00 N ATOM 726 CA GLY A 47 17.900 35.212 37.641 1.00 0.00 C ATOM 727 C GLY A 47 18.947 34.439 36.851 1.00 0.00 C ATOM 728 O GLY A 47 19.769 35.027 36.149 1.00 0.00 O ATOM 0 H GLY A 47 16.301 33.861 37.743 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.985 36.277 37.425 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.077 35.089 38.709 1.00 0.00 H new ATOM 732 N GLU A 48 18.910 33.115 36.968 1.00 0.00 N ATOM 733 CA GLU A 48 19.855 32.259 36.260 1.00 0.00 C ATOM 734 C GLU A 48 19.635 32.369 34.757 1.00 0.00 C ATOM 735 O GLU A 48 18.596 31.960 34.240 1.00 0.00 O ATOM 736 CB GLU A 48 19.687 30.810 36.707 1.00 0.00 C ATOM 737 CG GLU A 48 20.619 29.882 35.934 1.00 0.00 C ATOM 738 CD GLU A 48 21.083 28.738 36.825 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.299 28.306 37.697 1.00 0.00 O ATOM 740 OE2 GLU A 48 22.230 28.274 36.651 1.00 0.00 O ATOM 0 H GLU A 48 18.236 32.612 37.546 1.00 0.00 H new ATOM 0 HA GLU A 48 20.868 32.585 36.494 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.893 30.730 37.774 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.653 30.498 36.558 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.104 29.485 35.059 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.481 30.441 35.570 1.00 0.00 H new ATOM 747 N GLY A 49 20.619 32.926 34.061 1.00 0.00 N ATOM 748 CA GLY A 49 20.535 33.095 32.615 1.00 0.00 C ATOM 749 C GLY A 49 20.422 31.747 31.915 1.00 0.00 C ATOM 750 O GLY A 49 21.405 31.232 31.382 1.00 0.00 O ATOM 0 H GLY A 49 21.486 33.269 34.475 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.671 33.712 32.367 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.418 33.623 32.255 1.00 0.00 H new ATOM 754 N GLY A 50 19.219 31.179 31.915 1.00 0.00 N ATOM 755 CA GLY A 50 18.984 29.890 31.273 1.00 0.00 C ATOM 756 C GLY A 50 17.836 29.143 31.939 1.00 0.00 C ATOM 757 O GLY A 50 16.999 28.546 31.262 1.00 0.00 O ATOM 0 H GLY A 50 18.394 31.590 32.351 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.758 30.042 30.218 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.890 29.286 31.321 1.00 0.00 H new ATOM 761 N VAL A 51 17.802 29.168 33.267 1.00 0.00 N ATOM 762 CA VAL A 51 16.754 28.480 34.014 1.00 0.00 C ATOM 763 C VAL A 51 16.218 29.363 35.131 1.00 0.00 C ATOM 764 O VAL A 51 16.789 30.408 35.439 1.00 0.00 O ATOM 765 CB VAL A 51 17.305 27.184 34.598 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.824 26.278 33.484 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.412 27.478 35.607 1.00 0.00 C ATOM 0 H VAL A 51 18.485 29.655 33.847 1.00 0.00 H new ATOM 0 HA VAL A 51 15.935 28.253 33.332 1.00 0.00 H new ATOM 0 HB VAL A 51 16.497 26.668 35.117 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.214 25.357 33.916 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.010 26.041 32.799 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.619 26.789 32.940 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.793 26.541 36.013 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.222 28.015 35.113 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.013 28.089 36.417 1.00 0.00 H new ATOM 777 N TRP A 52 15.112 28.937 35.732 1.00 0.00 N ATOM 778 CA TRP A 52 14.490 29.686 36.816 1.00 0.00 C ATOM 779 C TRP A 52 14.866 29.087 38.165 1.00 0.00 C ATOM 780 O TRP A 52 14.932 27.868 38.318 1.00 0.00 O ATOM 781 CB TRP A 52 12.979 29.662 36.643 1.00 0.00 C ATOM 782 CG TRP A 52 12.566 29.903 35.226 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.624 29.213 34.519 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.091 30.905 34.333 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.534 29.750 33.264 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.413 30.779 33.116 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.063 31.896 34.452 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.679 31.608 32.038 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.337 32.728 33.377 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.649 32.586 32.180 1.00 0.00 C ATOM 0 H TRP A 52 14.627 28.074 35.485 1.00 0.00 H new ATOM 0 HA TRP A 52 14.847 30.716 36.785 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.593 28.697 36.972 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.530 30.421 37.284 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.045 28.380 34.890 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.896 29.424 32.538 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.602 32.016 35.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.142 31.494 31.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.093 33.494 33.472 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.872 33.244 31.353 1.00 0.00 H new ATOM 801 N THR A 53 15.107 29.954 39.144 1.00 0.00 N ATOM 802 CA THR A 53 15.472 29.514 40.486 1.00 0.00 C ATOM 803 C THR A 53 14.574 30.181 41.519 1.00 0.00 C ATOM 804 O THR A 53 14.157 31.326 41.346 1.00 0.00 O ATOM 805 CB THR A 53 16.933 29.849 40.767 1.00 0.00 C ATOM 806 OG1 THR A 53 17.213 31.180 40.359 1.00 0.00 O ATOM 807 CG2 THR A 53 17.859 28.875 40.045 1.00 0.00 C ATOM 0 H THR A 53 15.056 30.967 39.033 1.00 0.00 H new ATOM 0 HA THR A 53 15.339 28.434 40.551 1.00 0.00 H new ATOM 0 HB THR A 53 17.108 29.759 41.839 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.153 31.388 40.544 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.896 29.132 40.259 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.659 27.860 40.388 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.685 28.936 38.971 1.00 0.00 H new ATOM 815 N PHE A 54 14.277 29.458 42.593 1.00 0.00 N ATOM 816 CA PHE A 54 13.422 29.982 43.653 1.00 0.00 C ATOM 817 C PHE A 54 14.128 29.897 45.000 1.00 0.00 C ATOM 818 O PHE A 54 14.819 28.920 45.290 1.00 0.00 O ATOM 819 CB PHE A 54 12.114 29.199 43.701 1.00 0.00 C ATOM 820 CG PHE A 54 11.208 29.635 44.825 1.00 0.00 C ATOM 821 CD1 PHE A 54 10.849 30.967 44.947 1.00 0.00 C ATOM 822 CD2 PHE A 54 10.735 28.705 45.736 1.00 0.00 C ATOM 823 CE1 PHE A 54 10.018 31.369 45.979 1.00 0.00 C ATOM 824 CE2 PHE A 54 9.904 29.107 46.768 1.00 0.00 C ATOM 825 CZ PHE A 54 9.545 30.439 46.890 1.00 0.00 C ATOM 0 H PHE A 54 14.615 28.509 42.753 1.00 0.00 H new ATOM 0 HA PHE A 54 13.206 31.029 43.439 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.590 29.318 42.752 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.336 28.138 43.811 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.217 31.693 44.237 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.014 27.666 45.641 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.739 32.408 46.074 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.536 28.381 47.478 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.897 30.752 47.695 1.00 0.00 H new ATOM 835 N ASP A 55 13.948 30.925 45.822 1.00 0.00 N ATOM 836 CA ASP A 55 14.565 30.969 47.143 1.00 0.00 C ATOM 837 C ASP A 55 13.575 30.505 48.203 1.00 0.00 C ATOM 838 O ASP A 55 12.862 31.315 48.797 1.00 0.00 O ATOM 839 CB ASP A 55 15.032 32.388 47.455 1.00 0.00 C ATOM 840 CG ASP A 55 16.304 32.708 46.679 1.00 0.00 C ATOM 841 OD1 ASP A 55 16.325 32.487 45.450 1.00 0.00 O ATOM 842 OD2 ASP A 55 17.278 33.181 47.303 1.00 0.00 O ATOM 0 H ASP A 55 13.379 31.741 45.596 1.00 0.00 H new ATOM 0 HA ASP A 55 15.426 30.301 47.149 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.250 33.101 47.195 1.00 0.00 H new ATOM 0 HB3 ASP A 55 15.215 32.491 48.525 1.00 0.00 H new ATOM 847 N SER A 56 13.534 29.197 48.437 1.00 0.00 N ATOM 848 CA SER A 56 12.630 28.624 49.428 1.00 0.00 C ATOM 849 C SER A 56 13.075 29.004 50.833 1.00 0.00 C ATOM 850 O SER A 56 14.115 29.637 51.015 1.00 0.00 O ATOM 851 CB SER A 56 12.594 27.105 49.288 1.00 0.00 C ATOM 852 OG SER A 56 12.670 26.725 47.923 1.00 0.00 O ATOM 0 H SER A 56 14.117 28.514 47.953 1.00 0.00 H new ATOM 0 HA SER A 56 11.630 29.021 49.257 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.424 26.664 49.840 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.676 26.716 49.728 1.00 0.00 H new ATOM 0 HG SER A 56 13.609 26.612 47.667 1.00 0.00 H new ATOM 858 N GLU A 57 12.282 28.614 51.825 1.00 0.00 N ATOM 859 CA GLU A 57 12.592 28.913 53.219 1.00 0.00 C ATOM 860 C GLU A 57 11.803 27.996 54.144 1.00 0.00 C ATOM 861 O GLU A 57 11.331 28.419 55.200 1.00 0.00 O ATOM 862 CB GLU A 57 12.263 30.371 53.524 1.00 0.00 C ATOM 863 CG GLU A 57 13.168 30.923 54.621 1.00 0.00 C ATOM 864 CD GLU A 57 12.974 32.428 54.759 1.00 0.00 C ATOM 865 OE1 GLU A 57 11.834 32.860 55.030 1.00 0.00 O ATOM 866 OE2 GLU A 57 13.964 33.173 54.595 1.00 0.00 O ATOM 0 H GLU A 57 11.418 28.089 51.690 1.00 0.00 H new ATOM 0 HA GLU A 57 13.656 28.746 53.386 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.377 30.969 52.620 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.221 30.455 53.832 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.944 30.432 55.568 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.210 30.704 54.387 1.00 0.00 H new ATOM 873 N GLU A 58 11.663 26.737 53.741 1.00 0.00 N ATOM 874 CA GLU A 58 10.929 25.753 54.532 1.00 0.00 C ATOM 875 C GLU A 58 11.744 24.474 54.679 1.00 0.00 C ATOM 876 O GLU A 58 12.722 24.264 53.961 1.00 0.00 O ATOM 877 CB GLU A 58 9.584 25.440 53.872 1.00 0.00 C ATOM 878 CG GLU A 58 9.692 25.395 52.347 1.00 0.00 C ATOM 879 CD GLU A 58 10.810 24.454 51.917 1.00 0.00 C ATOM 880 OE1 GLU A 58 10.811 23.287 52.363 1.00 0.00 O ATOM 881 OE2 GLU A 58 11.683 24.885 51.134 1.00 0.00 O ATOM 0 H GLU A 58 12.049 26.373 52.870 1.00 0.00 H new ATOM 0 HA GLU A 58 10.750 26.171 55.522 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.215 24.482 54.238 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.853 26.195 54.162 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.746 25.064 51.920 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.883 26.396 51.961 1.00 0.00 H new ATOM 888 N PRO A 59 11.345 23.597 55.615 1.00 0.00 N ATOM 889 CA PRO A 59 12.010 22.331 55.874 1.00 0.00 C ATOM 890 C PRO A 59 11.388 21.172 55.097 1.00 0.00 C ATOM 891 O PRO A 59 11.749 20.013 55.305 1.00 0.00 O ATOM 892 CB PRO A 59 11.803 22.156 57.372 1.00 0.00 C ATOM 893 CG PRO A 59 10.605 22.971 57.736 1.00 0.00 C ATOM 894 CD PRO A 59 10.201 23.743 56.512 1.00 0.00 C ATOM 0 HA PRO A 59 13.055 22.334 55.564 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.648 21.106 57.622 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.681 22.489 57.926 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.791 22.329 58.071 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.836 23.648 58.558 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.290 23.341 56.068 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.007 24.790 56.745 1.00 0.00 H new ATOM 902 N LEU A 60 10.454 21.485 54.201 1.00 0.00 N ATOM 903 CA LEU A 60 9.790 20.464 53.399 1.00 0.00 C ATOM 904 C LEU A 60 10.809 19.701 52.564 1.00 0.00 C ATOM 905 O LEU A 60 11.869 20.229 52.226 1.00 0.00 O ATOM 906 CB LEU A 60 8.751 21.111 52.488 1.00 0.00 C ATOM 907 CG LEU A 60 7.475 20.277 52.423 1.00 0.00 C ATOM 908 CD1 LEU A 60 6.660 20.443 53.703 1.00 0.00 C ATOM 909 CD2 LEU A 60 6.642 20.666 51.205 1.00 0.00 C ATOM 0 H LEU A 60 10.141 22.438 54.013 1.00 0.00 H new ATOM 0 HA LEU A 60 9.291 19.763 54.069 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.516 22.111 52.853 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.164 21.226 51.486 1.00 0.00 H new ATOM 0 HG LEU A 60 7.756 19.228 52.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.754 19.841 53.638 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.253 20.115 54.557 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.390 21.492 53.829 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.736 20.061 51.175 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.372 21.720 51.270 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.222 20.496 50.298 1.00 0.00 H new ATOM 921 N GLN A 61 10.482 18.458 52.233 1.00 0.00 N ATOM 922 CA GLN A 61 11.368 17.619 51.435 1.00 0.00 C ATOM 923 C GLN A 61 10.554 16.648 50.591 1.00 0.00 C ATOM 924 O GLN A 61 10.859 15.457 50.528 1.00 0.00 O ATOM 925 CB GLN A 61 12.319 16.849 52.346 1.00 0.00 C ATOM 926 CG GLN A 61 13.739 16.851 51.787 1.00 0.00 C ATOM 927 CD GLN A 61 14.655 17.684 52.676 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.567 17.624 53.902 1.00 0.00 O ATOM 929 NE2 GLN A 61 15.535 18.462 52.057 1.00 0.00 N ATOM 0 H GLN A 61 9.608 18.008 52.505 1.00 0.00 H new ATOM 0 HA GLN A 61 11.952 18.257 50.771 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.316 17.295 53.340 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.970 15.822 52.456 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.114 15.829 51.723 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.738 17.254 50.774 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.572 18.480 51.038 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.174 19.042 52.601 1.00 0.00 H new ATOM 938 N GLY A 62 9.516 17.166 49.944 1.00 0.00 N ATOM 939 CA GLY A 62 8.653 16.348 49.101 1.00 0.00 C ATOM 940 C GLY A 62 8.611 16.898 47.680 1.00 0.00 C ATOM 941 O GLY A 62 9.601 17.436 47.185 1.00 0.00 O ATOM 0 H GLY A 62 9.252 18.150 49.988 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.017 15.321 49.088 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.646 16.324 49.517 1.00 0.00 H new ATOM 945 N PRO A 63 7.458 16.766 47.002 1.00 0.00 N ATOM 946 CA PRO A 63 7.287 17.248 45.630 1.00 0.00 C ATOM 947 C PRO A 63 6.959 18.736 45.579 1.00 0.00 C ATOM 948 O PRO A 63 6.393 19.290 46.522 1.00 0.00 O ATOM 949 CB PRO A 63 6.125 16.423 45.098 1.00 0.00 C ATOM 950 CG PRO A 63 5.334 16.007 46.300 1.00 0.00 C ATOM 951 CD PRO A 63 6.231 16.134 47.513 1.00 0.00 C ATOM 0 HA PRO A 63 8.199 17.137 45.044 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.513 17.007 44.411 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.483 15.554 44.546 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.450 16.635 46.411 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.984 14.981 46.190 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.765 16.742 48.289 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.441 15.160 47.955 1.00 0.00 H new ATOM 959 N PHE A 64 7.314 19.376 44.470 1.00 0.00 N ATOM 960 CA PHE A 64 7.055 20.800 44.289 1.00 0.00 C ATOM 961 C PHE A 64 5.835 21.002 43.403 1.00 0.00 C ATOM 962 O PHE A 64 5.418 20.093 42.686 1.00 0.00 O ATOM 963 CB PHE A 64 8.265 21.478 43.652 1.00 0.00 C ATOM 964 CG PHE A 64 9.326 21.860 44.651 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.103 22.896 45.543 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.529 21.174 44.676 1.00 0.00 C ATOM 967 CE1 PHE A 64 10.083 23.245 46.458 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.508 21.523 45.589 1.00 0.00 C ATOM 969 CZ PHE A 64 11.285 22.558 46.481 1.00 0.00 C ATOM 0 H PHE A 64 7.783 18.930 43.681 1.00 0.00 H new ATOM 0 HA PHE A 64 6.867 21.245 45.266 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.699 20.809 42.909 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.935 22.372 43.122 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.165 23.432 45.525 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.703 20.365 43.982 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.909 24.053 47.153 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.446 20.988 45.606 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.049 22.830 47.195 1.00 0.00 H new ATOM 979 N ASN A 65 5.271 22.201 43.449 1.00 0.00 N ATOM 980 CA ASN A 65 4.101 22.528 42.640 1.00 0.00 C ATOM 981 C ASN A 65 4.369 23.795 41.843 1.00 0.00 C ATOM 982 O ASN A 65 4.519 24.878 42.407 1.00 0.00 O ATOM 983 CB ASN A 65 2.833 22.703 43.499 1.00 0.00 C ATOM 984 CG ASN A 65 3.151 22.821 44.992 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.906 22.021 45.545 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.561 23.814 45.645 1.00 0.00 N ATOM 0 H ASN A 65 5.603 22.965 44.038 1.00 0.00 H new ATOM 0 HA ASN A 65 3.922 21.694 41.962 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.297 23.594 43.173 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.168 21.854 43.338 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.726 23.937 46.644 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.942 24.455 45.148 1.00 0.00 H new ATOM 993 N PHE A 66 4.444 23.644 40.526 1.00 0.00 N ATOM 994 CA PHE A 66 4.711 24.767 39.634 1.00 0.00 C ATOM 995 C PHE A 66 3.421 25.315 39.054 1.00 0.00 C ATOM 996 O PHE A 66 2.332 24.878 39.419 1.00 0.00 O ATOM 997 CB PHE A 66 5.603 24.309 38.492 1.00 0.00 C ATOM 998 CG PHE A 66 7.067 24.567 38.748 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.624 25.794 38.426 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.856 23.575 39.310 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.968 26.028 38.666 1.00 0.00 C ATOM 1002 CE2 PHE A 66 9.200 23.810 39.549 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.756 25.036 39.227 1.00 0.00 C ATOM 0 H PHE A 66 4.323 22.750 40.050 1.00 0.00 H new ATOM 0 HA PHE A 66 5.204 25.550 40.210 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.451 23.243 38.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.304 24.821 37.577 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.011 26.568 37.988 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.422 22.618 39.562 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.402 26.985 38.416 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.814 23.037 39.987 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.804 25.219 39.413 1.00 0.00 H new ATOM 1013 N ARG A 67 3.559 26.266 38.129 1.00 0.00 N ATOM 1014 CA ARG A 67 2.411 26.874 37.464 1.00 0.00 C ATOM 1015 C ARG A 67 2.837 28.082 36.643 1.00 0.00 C ATOM 1016 O ARG A 67 2.646 29.226 37.056 1.00 0.00 O ATOM 1017 CB ARG A 67 1.356 27.282 38.482 1.00 0.00 C ATOM 1018 CG ARG A 67 0.152 26.362 38.377 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.848 26.609 39.503 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.070 27.203 38.969 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.187 27.285 39.689 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.279 26.668 40.860 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.217 27.988 39.236 1.00 0.00 N ATOM 0 H ARG A 67 4.461 26.632 37.824 1.00 0.00 H new ATOM 0 HA ARG A 67 1.982 26.132 36.791 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.773 27.236 39.488 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.052 28.314 38.309 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.338 26.513 37.415 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.484 25.324 38.406 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.081 25.670 40.005 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.410 27.270 40.250 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.068 27.566 38.016 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.491 26.126 41.214 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.138 26.735 41.406 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.153 28.465 38.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.073 28.051 39.787 1.00 0.00 H new ATOM 1037 N PHE A 68 3.406 27.821 35.472 1.00 0.00 N ATOM 1038 CA PHE A 68 3.852 28.889 34.584 1.00 0.00 C ATOM 1039 C PHE A 68 2.670 29.458 33.814 1.00 0.00 C ATOM 1040 O PHE A 68 1.534 29.015 33.981 1.00 0.00 O ATOM 1041 CB PHE A 68 4.895 28.361 33.602 1.00 0.00 C ATOM 1042 CG PHE A 68 4.498 27.048 32.976 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.407 26.989 32.125 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.221 25.900 33.254 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.040 25.784 31.551 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.853 24.694 32.680 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.762 24.636 31.829 1.00 0.00 C ATOM 0 H PHE A 68 3.570 26.880 35.115 1.00 0.00 H new ATOM 0 HA PHE A 68 4.300 29.677 35.189 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.054 29.099 32.816 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.846 28.238 34.121 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.842 27.884 31.909 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.072 25.945 33.918 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.190 25.739 30.886 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.417 23.799 32.896 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.475 23.696 31.382 1.00 0.00 H new ATOM 1057 N LEU A 69 2.948 30.437 32.965 1.00 0.00 N ATOM 1058 CA LEU A 69 1.911 31.071 32.154 1.00 0.00 C ATOM 1059 C LEU A 69 2.421 31.246 30.732 1.00 0.00 C ATOM 1060 O LEU A 69 2.669 32.366 30.290 1.00 0.00 O ATOM 1061 CB LEU A 69 1.516 32.437 32.732 1.00 0.00 C ATOM 1062 CG LEU A 69 1.756 32.523 34.241 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.549 33.952 34.735 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.839 31.557 34.986 1.00 0.00 C ATOM 0 H LEU A 69 3.885 30.812 32.818 1.00 0.00 H new ATOM 0 HA LEU A 69 1.029 30.431 32.158 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.086 33.219 32.231 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.463 32.626 32.523 1.00 0.00 H new ATOM 0 HG LEU A 69 2.788 32.237 34.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.724 33.994 35.810 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.247 34.617 34.227 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.528 34.267 34.521 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.024 31.633 36.057 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.201 31.810 34.779 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.038 30.538 34.654 1.00 0.00 H new ATOM 1076 N THR A 70 2.592 30.123 30.029 1.00 0.00 N ATOM 1077 CA THR A 70 3.096 30.114 28.649 1.00 0.00 C ATOM 1078 C THR A 70 2.609 31.325 27.856 1.00 0.00 C ATOM 1079 O THR A 70 1.459 31.745 27.980 1.00 0.00 O ATOM 1080 CB THR A 70 2.664 28.830 27.947 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.311 28.538 28.256 1.00 0.00 O ATOM 1082 CG2 THR A 70 3.558 27.664 28.357 1.00 0.00 C ATOM 0 H THR A 70 2.386 29.195 30.398 1.00 0.00 H new ATOM 0 HA THR A 70 4.184 30.163 28.695 1.00 0.00 H new ATOM 0 HB THR A 70 2.760 28.976 26.871 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.089 27.639 27.935 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.233 26.758 27.845 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.590 27.884 28.085 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.491 27.515 29.435 1.00 0.00 H new ATOM 1090 N GLU A 71 3.504 31.881 27.047 1.00 0.00 N ATOM 1091 CA GLU A 71 3.189 33.048 26.231 1.00 0.00 C ATOM 1092 C GLU A 71 1.907 32.819 25.440 1.00 0.00 C ATOM 1093 O GLU A 71 0.974 33.618 25.509 1.00 0.00 O ATOM 1094 CB GLU A 71 4.347 33.343 25.281 1.00 0.00 C ATOM 1095 CG GLU A 71 5.653 33.558 26.045 1.00 0.00 C ATOM 1096 CD GLU A 71 5.826 35.033 26.382 1.00 0.00 C ATOM 1097 OE1 GLU A 71 4.813 35.697 26.682 1.00 0.00 O ATOM 1098 OE2 GLU A 71 6.975 35.521 26.345 1.00 0.00 O ATOM 0 H GLU A 71 4.459 31.540 26.939 1.00 0.00 H new ATOM 0 HA GLU A 71 3.038 33.904 26.889 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.465 32.516 24.581 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.119 34.230 24.691 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.650 32.966 26.960 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.495 33.213 25.445 1.00 0.00 H new ATOM 1105 N LYS A 72 1.866 31.723 24.688 1.00 0.00 N ATOM 1106 CA LYS A 72 0.693 31.393 23.884 1.00 0.00 C ATOM 1107 C LYS A 72 0.073 30.084 24.357 1.00 0.00 C ATOM 1108 O LYS A 72 0.160 29.063 23.677 1.00 0.00 O ATOM 1109 CB LYS A 72 1.085 31.279 22.413 1.00 0.00 C ATOM 1110 CG LYS A 72 -0.125 30.952 21.542 1.00 0.00 C ATOM 1111 CD LYS A 72 -1.249 31.963 21.751 1.00 0.00 C ATOM 1112 CE LYS A 72 -2.065 32.152 20.476 1.00 0.00 C ATOM 1113 NZ LYS A 72 -1.804 33.483 19.858 1.00 0.00 N ATOM 0 H LYS A 72 2.629 31.050 24.618 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.042 32.189 23.999 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.533 32.215 22.080 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.842 30.503 22.295 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.171 30.946 20.493 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.485 29.951 21.778 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.901 31.625 22.556 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.828 32.919 22.062 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.819 31.364 19.764 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.127 32.056 20.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.373 33.582 18.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.062 34.234 20.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.795 33.563 19.619 1.00 0.00 H new ATOM 1127 N GLY A 73 -0.554 30.121 25.528 1.00 0.00 N ATOM 1128 CA GLY A 73 -1.192 28.938 26.094 1.00 0.00 C ATOM 1129 C GLY A 73 -2.077 29.320 27.271 1.00 0.00 C ATOM 1130 O GLY A 73 -3.182 29.831 27.090 1.00 0.00 O ATOM 0 H GLY A 73 -0.634 30.959 26.104 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.788 28.439 25.330 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.431 28.228 26.419 1.00 0.00 H new ATOM 1134 N MET A 74 -1.582 29.070 28.479 1.00 0.00 N ATOM 1135 CA MET A 74 -2.319 29.385 29.701 1.00 0.00 C ATOM 1136 C MET A 74 -1.635 28.752 30.904 1.00 0.00 C ATOM 1137 O MET A 74 -0.581 28.130 30.774 1.00 0.00 O ATOM 1138 CB MET A 74 -3.758 28.881 29.604 1.00 0.00 C ATOM 1139 CG MET A 74 -3.809 27.447 29.086 1.00 0.00 C ATOM 1140 SD MET A 74 -5.435 27.002 28.457 1.00 0.00 S ATOM 1141 CE MET A 74 -5.056 25.482 27.573 1.00 0.00 C ATOM 0 H MET A 74 -0.668 28.647 28.640 1.00 0.00 H new ATOM 0 HA MET A 74 -2.332 30.468 29.824 1.00 0.00 H new ATOM 0 HB2 MET A 74 -4.231 28.933 30.585 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.329 29.530 28.940 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.070 27.323 28.294 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.534 26.763 29.889 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.967 25.084 27.126 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.328 25.689 26.789 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.643 24.750 28.268 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.240 28.913 32.074 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.689 28.355 33.302 1.00 0.00 C ATOM 1153 C LYS A 75 -1.928 26.852 33.352 1.00 0.00 C ATOM 1154 O LYS A 75 -2.484 26.270 32.421 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.330 29.022 34.514 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.117 30.532 34.493 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.437 31.272 34.302 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.259 32.777 34.484 1.00 0.00 C ATOM 1159 NZ LYS A 75 -4.567 33.489 34.423 1.00 0.00 N ATOM 0 H LYS A 75 -3.113 29.426 32.198 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.615 28.542 33.319 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.398 28.803 34.530 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.906 28.605 35.428 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.651 30.849 35.426 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.430 30.794 33.688 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.830 31.068 33.306 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.171 30.901 35.017 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.779 32.975 35.442 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.596 33.163 33.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.413 34.510 34.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.012 33.318 33.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.190 33.136 35.178 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.505 26.230 34.446 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.673 24.791 34.622 1.00 0.00 C ATOM 1175 C ASN A 76 -0.994 24.332 35.905 1.00 0.00 C ATOM 1176 O ASN A 76 0.126 24.743 36.207 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.079 24.046 33.429 1.00 0.00 C ATOM 1178 CG ASN A 76 -2.188 23.437 32.581 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -2.235 23.637 31.367 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -3.082 22.691 33.220 1.00 0.00 N ATOM 0 H ASN A 76 -1.043 26.699 35.225 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.738 24.571 34.688 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.483 24.730 32.824 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.407 23.262 33.779 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.847 22.257 32.703 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.004 22.552 34.227 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.677 23.476 36.659 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.135 22.960 37.911 1.00 0.00 C ATOM 1189 C VAL A 77 -0.235 21.762 37.642 1.00 0.00 C ATOM 1190 O VAL A 77 -0.330 21.124 36.593 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.271 22.561 38.850 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.714 21.979 40.147 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.167 23.760 39.146 1.00 0.00 C ATOM 0 H VAL A 77 -2.606 23.125 36.425 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.543 23.743 38.385 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.871 21.795 38.357 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.538 21.700 40.804 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.115 21.097 39.922 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.091 22.724 40.642 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.971 23.457 39.817 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.578 24.547 39.618 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.593 24.135 38.215 1.00 0.00 H new ATOM 1203 N PHE A 78 0.642 21.463 38.594 1.00 0.00 N ATOM 1204 CA PHE A 78 1.564 20.341 38.460 1.00 0.00 C ATOM 1205 C PHE A 78 1.899 19.765 39.830 1.00 0.00 C ATOM 1206 O PHE A 78 2.432 20.462 40.694 1.00 0.00 O ATOM 1207 CB PHE A 78 2.838 20.801 37.758 1.00 0.00 C ATOM 1208 CG PHE A 78 2.574 21.403 36.400 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.336 20.580 35.312 1.00 0.00 C ATOM 1210 CD2 PHE A 78 2.568 22.779 36.241 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.092 21.132 34.065 1.00 0.00 C ATOM 1212 CE2 PHE A 78 2.324 23.331 34.994 1.00 0.00 C ATOM 1213 CZ PHE A 78 2.086 22.508 33.906 1.00 0.00 C ATOM 0 H PHE A 78 0.734 21.982 39.467 1.00 0.00 H new ATOM 0 HA PHE A 78 1.089 19.562 37.863 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.347 21.535 38.383 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.514 19.953 37.649 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.341 19.507 35.436 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.754 23.421 37.089 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.906 20.490 33.217 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.319 24.404 34.870 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.896 22.939 32.934 1.00 0.00 H new ATOM 1223 N ASP A 79 1.582 18.489 40.024 1.00 0.00 N ATOM 1224 CA ASP A 79 1.848 17.817 41.292 1.00 0.00 C ATOM 1225 C ASP A 79 2.855 16.692 41.097 1.00 0.00 C ATOM 1226 O ASP A 79 2.946 16.107 40.018 1.00 0.00 O ATOM 1227 CB ASP A 79 0.549 17.259 41.866 1.00 0.00 C ATOM 1228 CG ASP A 79 0.032 18.164 42.976 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.860 18.698 43.744 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.201 18.337 43.077 1.00 0.00 O ATOM 0 H ASP A 79 1.140 17.899 39.319 1.00 0.00 H new ATOM 0 HA ASP A 79 2.267 18.542 41.990 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.199 17.175 41.077 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.717 16.254 42.254 1.00 0.00 H new ATOM 1235 N ASP A 80 3.608 16.393 42.149 1.00 0.00 N ATOM 1236 CA ASP A 80 4.612 15.336 42.099 1.00 0.00 C ATOM 1237 C ASP A 80 5.678 15.666 41.061 1.00 0.00 C ATOM 1238 O ASP A 80 6.210 14.775 40.399 1.00 0.00 O ATOM 1239 CB ASP A 80 3.950 14.004 41.758 1.00 0.00 C ATOM 1240 CG ASP A 80 3.866 13.123 42.998 1.00 0.00 C ATOM 1241 OD1 ASP A 80 3.335 13.592 44.027 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.331 11.966 42.939 1.00 0.00 O ATOM 0 H ASP A 80 3.542 16.869 43.049 1.00 0.00 H new ATOM 0 HA ASP A 80 5.087 15.259 43.077 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.951 14.178 41.359 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.520 13.496 40.980 1.00 0.00 H new ATOM 1247 N VAL A 81 5.988 16.953 40.925 1.00 0.00 N ATOM 1248 CA VAL A 81 6.994 17.401 39.966 1.00 0.00 C ATOM 1249 C VAL A 81 8.410 17.153 40.501 1.00 0.00 C ATOM 1250 O VAL A 81 9.392 17.446 39.819 1.00 0.00 O ATOM 1251 CB VAL A 81 6.771 18.887 39.646 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.948 19.482 38.875 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.484 19.061 38.845 1.00 0.00 C ATOM 0 H VAL A 81 5.558 17.703 41.466 1.00 0.00 H new ATOM 0 HA VAL A 81 6.891 16.825 39.046 1.00 0.00 H new ATOM 0 HB VAL A 81 6.688 19.421 40.592 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.752 20.534 38.668 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.856 19.392 39.471 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.076 18.945 37.935 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.334 20.117 38.623 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.557 18.501 37.913 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.640 18.689 39.427 1.00 0.00 H new ATOM 1263 N VAL A 82 8.517 16.601 41.710 1.00 0.00 N ATOM 1264 CA VAL A 82 9.817 16.309 42.304 1.00 0.00 C ATOM 1265 C VAL A 82 9.686 15.179 43.322 1.00 0.00 C ATOM 1266 O VAL A 82 8.717 15.125 44.078 1.00 0.00 O ATOM 1267 CB VAL A 82 10.383 17.558 42.979 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.716 17.247 43.658 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.556 18.683 41.963 1.00 0.00 C ATOM 0 H VAL A 82 7.720 16.348 42.294 1.00 0.00 H new ATOM 0 HA VAL A 82 10.500 15.997 41.514 1.00 0.00 H new ATOM 0 HB VAL A 82 9.675 17.884 43.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.102 18.149 44.132 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.568 16.475 44.413 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.430 16.895 42.914 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.960 19.564 42.461 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.242 18.363 41.179 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.590 18.927 41.522 1.00 0.00 H new ATOM 1279 N PRO A 83 10.666 14.259 43.353 1.00 0.00 N ATOM 1280 CA PRO A 83 10.659 13.122 44.289 1.00 0.00 C ATOM 1281 C PRO A 83 10.936 13.561 45.722 1.00 0.00 C ATOM 1282 O PRO A 83 10.964 14.755 46.021 1.00 0.00 O ATOM 1283 CB PRO A 83 11.780 12.224 43.784 1.00 0.00 C ATOM 1284 CG PRO A 83 12.707 13.137 43.052 1.00 0.00 C ATOM 1285 CD PRO A 83 11.860 14.249 42.489 1.00 0.00 C ATOM 0 HA PRO A 83 9.688 12.627 44.317 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.288 11.725 44.609 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.395 11.443 43.128 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.470 13.533 43.722 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.227 12.604 42.256 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.383 15.205 42.520 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.598 14.063 41.447 1.00 0.00 H new ATOM 1293 N GLU A 84 11.150 12.589 46.602 1.00 0.00 N ATOM 1294 CA GLU A 84 11.437 12.873 48.004 1.00 0.00 C ATOM 1295 C GLU A 84 12.871 13.364 48.152 1.00 0.00 C ATOM 1296 O GLU A 84 13.187 14.130 49.062 1.00 0.00 O ATOM 1297 CB GLU A 84 11.225 11.618 48.845 1.00 0.00 C ATOM 1298 CG GLU A 84 12.015 10.437 48.286 1.00 0.00 C ATOM 1299 CD GLU A 84 11.072 9.426 47.648 1.00 0.00 C ATOM 1300 OE1 GLU A 84 10.261 9.830 46.787 1.00 0.00 O ATOM 1301 OE2 GLU A 84 11.145 8.233 48.009 1.00 0.00 O ATOM 0 H GLU A 84 11.130 11.596 46.369 1.00 0.00 H new ATOM 0 HA GLU A 84 10.759 13.651 48.354 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.532 11.810 49.873 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.164 11.369 48.871 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.735 10.789 47.548 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.584 9.961 49.084 1.00 0.00 H new ATOM 1308 N LYS A 85 13.734 12.918 47.245 1.00 0.00 N ATOM 1309 CA LYS A 85 15.138 13.308 47.260 1.00 0.00 C ATOM 1310 C LYS A 85 15.621 13.569 45.839 1.00 0.00 C ATOM 1311 O LYS A 85 16.339 12.756 45.256 1.00 0.00 O ATOM 1312 CB LYS A 85 15.979 12.210 47.903 1.00 0.00 C ATOM 1313 CG LYS A 85 16.270 12.525 49.367 1.00 0.00 C ATOM 1314 CD LYS A 85 17.131 11.440 50.006 1.00 0.00 C ATOM 1315 CE LYS A 85 17.714 11.910 51.335 1.00 0.00 C ATOM 1316 NZ LYS A 85 17.569 10.868 52.389 1.00 0.00 N ATOM 0 H LYS A 85 13.483 12.283 46.487 1.00 0.00 H new ATOM 0 HA LYS A 85 15.244 14.222 47.844 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.455 11.257 47.830 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.917 12.100 47.358 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.779 13.486 49.440 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.332 12.618 49.915 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.532 10.543 50.165 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.939 11.167 49.328 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.768 12.155 51.206 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.211 12.824 51.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.975 11.217 53.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.561 10.653 52.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.070 10.005 52.095 1.00 0.00 H new ATOM 1330 N TYR A 86 15.215 14.708 45.284 1.00 0.00 N ATOM 1331 CA TYR A 86 15.595 15.084 43.924 1.00 0.00 C ATOM 1332 C TYR A 86 17.093 14.912 43.712 1.00 0.00 C ATOM 1333 O TYR A 86 17.883 15.018 44.650 1.00 0.00 O ATOM 1334 CB TYR A 86 15.200 16.533 43.657 1.00 0.00 C ATOM 1335 CG TYR A 86 15.980 17.514 44.493 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.270 17.863 44.132 1.00 0.00 C ATOM 1337 CD2 TYR A 86 15.407 18.065 45.625 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.985 18.762 44.904 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.124 18.964 46.397 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.409 19.309 46.032 1.00 0.00 C ATOM 1341 OH TYR A 86 18.121 20.202 46.799 1.00 0.00 O ATOM 0 H TYR A 86 14.621 15.389 45.757 1.00 0.00 H new ATOM 0 HA TYR A 86 15.070 14.430 43.228 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.354 16.758 42.602 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.136 16.658 43.857 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.718 17.434 43.248 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.400 17.794 45.907 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.992 19.035 44.624 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.679 19.394 47.282 1.00 0.00 H new ATOM 0 HH TYR A 86 17.571 20.494 47.556 1.00 0.00 H new ATOM 1351 N THR A 87 17.475 14.650 42.467 1.00 0.00 N ATOM 1352 CA THR A 87 18.876 14.465 42.111 1.00 0.00 C ATOM 1353 C THR A 87 19.184 15.197 40.812 1.00 0.00 C ATOM 1354 O THR A 87 18.724 14.802 39.741 1.00 0.00 O ATOM 1355 CB THR A 87 19.184 12.977 41.957 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.488 12.233 42.945 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.684 12.718 42.067 1.00 0.00 C ATOM 0 H THR A 87 16.829 14.561 41.683 1.00 0.00 H new ATOM 0 HA THR A 87 19.500 14.875 42.905 1.00 0.00 H new ATOM 0 HB THR A 87 18.853 12.658 40.969 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.689 11.280 42.839 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.878 11.651 41.954 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.206 13.267 41.284 1.00 0.00 H new ATOM 0 HG23 THR A 87 21.040 13.050 43.042 1.00 0.00 H new ATOM 1365 N ILE A 88 19.961 16.272 40.914 1.00 0.00 N ATOM 1366 CA ILE A 88 20.332 17.073 39.749 1.00 0.00 C ATOM 1367 C ILE A 88 20.777 16.180 38.596 1.00 0.00 C ATOM 1368 O ILE A 88 21.872 15.619 38.618 1.00 0.00 O ATOM 1369 CB ILE A 88 21.453 18.034 40.122 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.032 18.910 41.300 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.842 18.897 38.926 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.834 18.572 42.554 1.00 0.00 C ATOM 0 H ILE A 88 20.348 16.610 41.795 1.00 0.00 H new ATOM 0 HA ILE A 88 19.459 17.640 39.427 1.00 0.00 H new ATOM 0 HB ILE A 88 22.324 17.449 40.418 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.176 19.960 41.045 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.969 18.772 41.497 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.644 19.577 39.213 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.182 18.258 38.111 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.978 19.474 38.597 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.512 19.212 43.375 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.669 17.528 42.821 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.895 18.734 42.362 1.00 0.00 H new ATOM 1384 N GLY A 89 19.918 16.053 37.589 1.00 0.00 N ATOM 1385 CA GLY A 89 20.217 15.228 36.424 1.00 0.00 C ATOM 1386 C GLY A 89 19.081 14.251 36.153 1.00 0.00 C ATOM 1387 O GLY A 89 19.314 13.072 35.886 1.00 0.00 O ATOM 0 H GLY A 89 19.008 16.512 37.557 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.373 15.863 35.552 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.144 14.679 36.589 1.00 0.00 H new ATOM 1391 N ALA A 90 17.850 14.748 36.222 1.00 0.00 N ATOM 1392 CA ALA A 90 16.673 13.918 35.984 1.00 0.00 C ATOM 1393 C ALA A 90 15.486 14.785 35.582 1.00 0.00 C ATOM 1394 O ALA A 90 15.476 15.992 35.825 1.00 0.00 O ATOM 1395 CB ALA A 90 16.334 13.122 37.240 1.00 0.00 C ATOM 0 H ALA A 90 17.641 15.722 36.441 1.00 0.00 H new ATOM 0 HA ALA A 90 16.892 13.226 35.171 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.455 12.505 37.054 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.176 12.482 37.504 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.128 13.808 38.061 1.00 0.00 H new ATOM 1401 N THR A 91 14.486 14.163 34.964 1.00 0.00 N ATOM 1402 CA THR A 91 13.291 14.879 34.526 1.00 0.00 C ATOM 1403 C THR A 91 12.071 14.418 35.316 1.00 0.00 C ATOM 1404 O THR A 91 11.514 13.352 35.050 1.00 0.00 O ATOM 1405 CB THR A 91 13.063 14.645 33.035 1.00 0.00 C ATOM 1406 OG1 THR A 91 14.230 14.989 32.306 1.00 0.00 O ATOM 1407 CG2 THR A 91 11.874 15.460 32.534 1.00 0.00 C ATOM 0 H THR A 91 14.479 13.165 34.755 1.00 0.00 H new ATOM 0 HA THR A 91 13.439 15.944 34.705 1.00 0.00 H new ATOM 0 HB THR A 91 12.844 13.588 32.882 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.076 14.834 31.351 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.731 15.277 31.469 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.976 15.165 33.077 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.065 16.521 32.698 1.00 0.00 H new ATOM 1415 N TYR A 92 11.662 15.226 36.289 1.00 0.00 N ATOM 1416 CA TYR A 92 10.511 14.905 37.121 1.00 0.00 C ATOM 1417 C TYR A 92 9.301 15.737 36.708 1.00 0.00 C ATOM 1418 O TYR A 92 9.436 16.899 36.326 1.00 0.00 O ATOM 1419 CB TYR A 92 10.846 15.175 38.583 1.00 0.00 C ATOM 1420 CG TYR A 92 12.173 14.593 39.002 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.359 13.220 39.004 1.00 0.00 C ATOM 1422 CD2 TYR A 92 13.207 15.429 39.388 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.578 12.687 39.391 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.424 14.893 39.776 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.604 13.526 39.775 1.00 0.00 C ATOM 1426 OH TYR A 92 15.813 12.994 40.161 1.00 0.00 O ATOM 0 H TYR A 92 12.114 16.111 36.520 1.00 0.00 H new ATOM 0 HA TYR A 92 10.268 13.850 36.990 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.858 16.251 38.754 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.059 14.760 39.213 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.554 12.565 38.704 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.065 16.500 39.387 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.725 11.617 39.392 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.230 15.545 40.079 1.00 0.00 H new ATOM 0 HH TYR A 92 15.860 12.055 39.884 1.00 0.00 H new ATOM 1436 N ALA A 93 8.119 15.132 36.796 1.00 0.00 N ATOM 1437 CA ALA A 93 6.874 15.809 36.440 1.00 0.00 C ATOM 1438 C ALA A 93 5.709 14.825 36.460 1.00 0.00 C ATOM 1439 O ALA A 93 5.908 13.618 36.595 1.00 0.00 O ATOM 1440 CB ALA A 93 6.988 16.442 35.057 1.00 0.00 C ATOM 0 H ALA A 93 7.997 14.170 37.112 1.00 0.00 H new ATOM 0 HA ALA A 93 6.690 16.593 37.175 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.052 16.942 34.807 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.800 17.169 35.056 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.194 15.667 34.318 1.00 0.00 H new ATOM 1446 N PRO A 94 4.471 15.333 36.327 1.00 0.00 N ATOM 1447 CA PRO A 94 3.266 14.493 36.331 1.00 0.00 C ATOM 1448 C PRO A 94 3.070 13.766 35.006 1.00 0.00 C ATOM 1449 O PRO A 94 3.353 14.367 33.948 1.00 0.00 O ATOM 1450 CB PRO A 94 2.132 15.479 36.578 1.00 0.00 C ATOM 1451 CG PRO A 94 2.636 16.800 36.093 1.00 0.00 C ATOM 1452 CD PRO A 94 4.145 16.761 36.164 1.00 0.00 C ATOM 0 HA PRO A 94 3.322 13.706 37.083 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.231 15.182 36.042 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.874 15.522 37.636 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.304 16.986 35.071 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.244 17.610 36.708 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.595 17.170 35.260 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.518 17.351 37.001 1.00 0.00 H new TER 1460 PRO A 94