USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 554 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 76 SER OG : rot 180:sc= -0.107 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= -0.619 (180deg=-0.675) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.681 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 133:sc= -0.935 (180deg=-1.85) USER MOD Single : A 58 ASN : amide:sc= 1.1 K(o=1.1,f=-0.11) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.188 -31.180 11.007 1.00 0.00 N ATOM 2 CA GLY A 1 2.475 -30.428 12.023 1.00 0.00 C ATOM 3 C GLY A 1 1.855 -29.158 11.476 1.00 0.00 C ATOM 4 O GLY A 1 2.322 -28.057 11.767 1.00 0.00 O ATOM 0 H1 GLY A 1 3.593 -32.039 11.431 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.530 -31.447 10.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.952 -30.594 10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.693 -31.054 12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.161 -30.175 12.831 1.00 0.00 H new ATOM 8 N SER A 2 0.801 -29.311 10.681 1.00 0.00 N ATOM 9 CA SER A 2 0.119 -28.167 10.087 1.00 0.00 C ATOM 10 C SER A 2 -0.018 -27.032 11.098 1.00 0.00 C ATOM 11 O SER A 2 -0.273 -27.265 12.280 1.00 0.00 O ATOM 12 CB SER A 2 -1.261 -28.578 9.575 1.00 0.00 C ATOM 13 OG SER A 2 -1.167 -29.220 8.316 1.00 0.00 O ATOM 0 H SER A 2 0.401 -30.216 10.433 1.00 0.00 H new ATOM 0 HA SER A 2 0.719 -27.813 9.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.734 -29.247 10.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.898 -27.698 9.491 1.00 0.00 H new ATOM 0 HG SER A 2 -2.063 -29.475 8.011 1.00 0.00 H new ATOM 19 N SER A 3 0.154 -25.802 10.625 1.00 0.00 N ATOM 20 CA SER A 3 0.053 -24.630 11.487 1.00 0.00 C ATOM 21 C SER A 3 -1.293 -23.935 11.302 1.00 0.00 C ATOM 22 O SER A 3 -1.620 -23.470 10.211 1.00 0.00 O ATOM 23 CB SER A 3 1.190 -23.652 11.189 1.00 0.00 C ATOM 24 OG SER A 3 2.448 -24.303 11.234 1.00 0.00 O ATOM 0 H SER A 3 0.364 -25.591 9.649 1.00 0.00 H new ATOM 0 HA SER A 3 0.132 -24.962 12.522 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.042 -23.207 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.172 -22.838 11.913 1.00 0.00 H new ATOM 0 HG SER A 3 3.158 -23.657 11.038 1.00 0.00 H new ATOM 30 N GLY A 4 -2.070 -23.867 12.378 1.00 0.00 N ATOM 31 CA GLY A 4 -3.372 -23.227 12.316 1.00 0.00 C ATOM 32 C GLY A 4 -3.271 -21.717 12.219 1.00 0.00 C ATOM 33 O GLY A 4 -3.431 -21.146 11.141 1.00 0.00 O ATOM 0 H GLY A 4 -1.821 -24.244 13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.920 -23.608 11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.947 -23.494 13.203 1.00 0.00 H new ATOM 37 N SER A 5 -3.007 -21.070 13.350 1.00 0.00 N ATOM 38 CA SER A 5 -2.891 -19.618 13.389 1.00 0.00 C ATOM 39 C SER A 5 -1.860 -19.127 12.377 1.00 0.00 C ATOM 40 O SER A 5 -0.797 -19.726 12.217 1.00 0.00 O ATOM 41 CB SER A 5 -2.504 -19.154 14.795 1.00 0.00 C ATOM 42 OG SER A 5 -1.236 -19.664 15.169 1.00 0.00 O ATOM 0 H SER A 5 -2.870 -21.529 14.251 1.00 0.00 H new ATOM 0 HA SER A 5 -3.860 -19.194 13.128 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.486 -18.065 14.830 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.257 -19.483 15.510 1.00 0.00 H new ATOM 0 HG SER A 5 -1.011 -19.352 16.070 1.00 0.00 H new ATOM 48 N SER A 6 -2.183 -18.032 11.696 1.00 0.00 N ATOM 49 CA SER A 6 -1.288 -17.461 10.697 1.00 0.00 C ATOM 50 C SER A 6 -0.827 -16.068 11.112 1.00 0.00 C ATOM 51 O SER A 6 -1.319 -15.504 12.088 1.00 0.00 O ATOM 52 CB SER A 6 -1.985 -17.397 9.336 1.00 0.00 C ATOM 53 OG SER A 6 -2.708 -16.187 9.190 1.00 0.00 O ATOM 0 H SER A 6 -3.058 -17.523 11.818 1.00 0.00 H new ATOM 0 HA SER A 6 -0.412 -18.105 10.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.245 -17.480 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.663 -18.244 9.231 1.00 0.00 H new ATOM 0 HG SER A 6 -3.143 -16.170 8.312 1.00 0.00 H new ATOM 59 N GLY A 7 0.121 -15.517 10.362 1.00 0.00 N ATOM 60 CA GLY A 7 0.634 -14.194 10.666 1.00 0.00 C ATOM 61 C GLY A 7 -0.266 -13.090 10.148 1.00 0.00 C ATOM 62 O GLY A 7 -0.925 -12.400 10.927 1.00 0.00 O ATOM 0 H GLY A 7 0.544 -15.963 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.746 -14.090 11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.627 -14.084 10.230 1.00 0.00 H new ATOM 66 N ASP A 8 -0.292 -12.920 8.831 1.00 0.00 N ATOM 67 CA ASP A 8 -1.118 -11.891 8.209 1.00 0.00 C ATOM 68 C ASP A 8 -2.478 -11.801 8.892 1.00 0.00 C ATOM 69 O ASP A 8 -3.056 -12.803 9.315 1.00 0.00 O ATOM 70 CB ASP A 8 -1.298 -12.182 6.719 1.00 0.00 C ATOM 71 CG ASP A 8 0.014 -12.492 6.026 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.619 -13.538 6.340 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.439 -11.687 5.171 1.00 0.00 O ATOM 0 H ASP A 8 0.249 -13.481 8.173 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.610 -10.933 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.978 -13.025 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.765 -11.323 6.238 1.00 0.00 H new ATOM 78 N PRO A 9 -3.007 -10.573 9.002 1.00 0.00 N ATOM 79 CA PRO A 9 -4.306 -10.322 9.632 1.00 0.00 C ATOM 80 C PRO A 9 -5.466 -10.852 8.796 1.00 0.00 C ATOM 81 O PRO A 9 -5.323 -11.156 7.611 1.00 0.00 O ATOM 82 CB PRO A 9 -4.367 -8.795 9.723 1.00 0.00 C ATOM 83 CG PRO A 9 -3.475 -8.314 8.633 1.00 0.00 C ATOM 84 CD PRO A 9 -2.375 -9.332 8.519 1.00 0.00 C ATOM 0 HA PRO A 9 -4.396 -10.824 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.386 -8.431 9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.027 -8.443 10.697 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.021 -8.222 7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.072 -7.328 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.025 -9.433 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.511 -9.059 9.124 1.00 0.00 H new ATOM 92 N PRO A 10 -6.645 -10.967 9.426 1.00 0.00 N ATOM 93 CA PRO A 10 -7.854 -11.459 8.759 1.00 0.00 C ATOM 94 C PRO A 10 -8.390 -10.473 7.726 1.00 0.00 C ATOM 95 O PRO A 10 -9.238 -10.820 6.906 1.00 0.00 O ATOM 96 CB PRO A 10 -8.852 -11.624 9.909 1.00 0.00 C ATOM 97 CG PRO A 10 -8.388 -10.668 10.953 1.00 0.00 C ATOM 98 CD PRO A 10 -6.889 -10.623 10.838 1.00 0.00 C ATOM 0 HA PRO A 10 -7.667 -12.378 8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.868 -11.396 9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.858 -12.647 10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.821 -9.680 10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.693 -10.997 11.946 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.496 -9.637 11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.413 -11.334 11.513 1.00 0.00 H new ATOM 106 N TRP A 11 -7.889 -9.244 7.775 1.00 0.00 N ATOM 107 CA TRP A 11 -8.317 -8.208 6.842 1.00 0.00 C ATOM 108 C TRP A 11 -7.386 -8.141 5.636 1.00 0.00 C ATOM 109 O TRP A 11 -7.823 -7.867 4.519 1.00 0.00 O ATOM 110 CB TRP A 11 -8.362 -6.850 7.544 1.00 0.00 C ATOM 111 CG TRP A 11 -7.050 -6.449 8.148 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.703 -6.507 9.467 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.911 -5.927 7.453 1.00 0.00 C ATOM 114 NE1 TRP A 11 -5.417 -6.054 9.636 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.909 -5.691 8.416 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.639 -5.637 6.114 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.659 -5.181 8.079 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.398 -5.129 5.781 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.420 -4.906 6.759 1.00 0.00 C ATOM 0 H TRP A 11 -7.187 -8.941 8.450 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.317 -8.461 6.490 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.672 -6.089 6.828 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.120 -6.879 8.326 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.345 -6.858 10.261 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.921 -5.997 10.525 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.386 -5.807 5.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.904 -5.008 8.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.178 -4.900 4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.459 -4.510 6.466 1.00 0.00 H new ATOM 130 N ALA A 12 -6.103 -8.393 5.872 1.00 0.00 N ATOM 131 CA ALA A 12 -5.110 -8.364 4.803 1.00 0.00 C ATOM 132 C ALA A 12 -5.549 -9.223 3.623 1.00 0.00 C ATOM 133 O ALA A 12 -6.192 -10.261 3.786 1.00 0.00 O ATOM 134 CB ALA A 12 -3.760 -8.828 5.325 1.00 0.00 C ATOM 0 H ALA A 12 -5.726 -8.619 6.792 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.017 -7.336 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.029 -8.801 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.435 -8.169 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.847 -9.847 5.703 1.00 0.00 H new ATOM 140 N PRO A 13 -5.195 -8.786 2.406 1.00 0.00 N ATOM 141 CA PRO A 13 -5.542 -9.502 1.175 1.00 0.00 C ATOM 142 C PRO A 13 -4.778 -10.814 1.032 1.00 0.00 C ATOM 143 O PRO A 13 -3.565 -10.862 1.238 1.00 0.00 O ATOM 144 CB PRO A 13 -5.136 -8.524 0.069 1.00 0.00 C ATOM 145 CG PRO A 13 -4.072 -7.680 0.682 1.00 0.00 C ATOM 146 CD PRO A 13 -4.428 -7.558 2.137 1.00 0.00 C ATOM 0 HA PRO A 13 -6.595 -9.782 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.766 -9.052 -0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.983 -7.920 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.091 -8.138 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.029 -6.700 0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.539 -7.494 2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.020 -6.664 2.332 1.00 0.00 H new ATOM 154 N ARG A 14 -5.495 -11.876 0.679 1.00 0.00 N ATOM 155 CA ARG A 14 -4.884 -13.187 0.509 1.00 0.00 C ATOM 156 C ARG A 14 -3.808 -13.152 -0.571 1.00 0.00 C ATOM 157 O ARG A 14 -2.804 -13.860 -0.486 1.00 0.00 O ATOM 158 CB ARG A 14 -5.948 -14.227 0.150 1.00 0.00 C ATOM 159 CG ARG A 14 -6.621 -14.853 1.360 1.00 0.00 C ATOM 160 CD ARG A 14 -7.580 -15.960 0.952 1.00 0.00 C ATOM 161 NE ARG A 14 -7.723 -16.973 1.994 1.00 0.00 N ATOM 162 CZ ARG A 14 -8.473 -18.062 1.865 1.00 0.00 C ATOM 163 NH1 ARG A 14 -9.146 -18.277 0.743 1.00 0.00 N ATOM 164 NH2 ARG A 14 -8.551 -18.938 2.858 1.00 0.00 N ATOM 0 H ARG A 14 -6.500 -11.853 0.505 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.416 -13.466 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.707 -13.757 -0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.487 -15.014 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.863 -15.256 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.163 -14.086 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.556 -15.530 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.222 -16.430 0.036 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.219 -16.837 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.088 -17.606 -0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.721 -19.114 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.035 -18.776 3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.127 -19.773 2.757 1.00 0.00 H new ATOM 178 N SER A 15 -4.023 -12.321 -1.586 1.00 0.00 N ATOM 179 CA SER A 15 -3.074 -12.195 -2.685 1.00 0.00 C ATOM 180 C SER A 15 -2.937 -10.739 -3.121 1.00 0.00 C ATOM 181 O SER A 15 -3.927 -10.013 -3.220 1.00 0.00 O ATOM 182 CB SER A 15 -3.517 -13.055 -3.872 1.00 0.00 C ATOM 183 OG SER A 15 -2.561 -13.015 -4.917 1.00 0.00 O ATOM 0 H SER A 15 -4.846 -11.725 -1.670 1.00 0.00 H new ATOM 0 HA SER A 15 -2.103 -12.544 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.660 -14.085 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.479 -12.701 -4.242 1.00 0.00 H new ATOM 0 HG SER A 15 -2.867 -13.573 -5.662 1.00 0.00 H new ATOM 189 N TYR A 16 -1.703 -10.321 -3.381 1.00 0.00 N ATOM 190 CA TYR A 16 -1.433 -8.951 -3.804 1.00 0.00 C ATOM 191 C TYR A 16 -0.153 -8.877 -4.630 1.00 0.00 C ATOM 192 O TYR A 16 0.679 -9.784 -4.589 1.00 0.00 O ATOM 193 CB TYR A 16 -1.323 -8.032 -2.586 1.00 0.00 C ATOM 194 CG TYR A 16 -0.251 -8.453 -1.605 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.080 -8.116 -1.813 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.572 -9.187 -0.470 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.062 -8.500 -0.920 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.403 -9.574 0.430 1.00 0.00 C ATOM 199 CZ TYR A 16 1.719 -9.228 0.199 1.00 0.00 C ATOM 200 OH TYR A 16 2.693 -9.611 1.093 1.00 0.00 O ATOM 0 H TYR A 16 -0.874 -10.911 -3.306 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.264 -8.620 -4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.116 -7.017 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.284 -8.007 -2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.352 -7.544 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.601 -9.460 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.093 -8.231 -1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.137 -10.143 1.308 1.00 0.00 H new ATOM 0 HH TYR A 16 2.284 -10.116 1.826 1.00 0.00 H new ATOM 210 N LEU A 17 -0.002 -7.790 -5.378 1.00 0.00 N ATOM 211 CA LEU A 17 1.178 -7.595 -6.214 1.00 0.00 C ATOM 212 C LEU A 17 2.452 -7.653 -5.379 1.00 0.00 C ATOM 213 O LEU A 17 3.214 -8.616 -5.459 1.00 0.00 O ATOM 214 CB LEU A 17 1.093 -6.254 -6.944 1.00 0.00 C ATOM 215 CG LEU A 17 0.313 -6.254 -8.260 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.326 -4.894 -8.501 1.00 0.00 C ATOM 217 CD2 LEU A 17 1.222 -6.632 -9.420 1.00 0.00 C ATOM 0 H LEU A 17 -0.681 -7.030 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 17 1.210 -8.400 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.635 -5.527 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.107 -5.908 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.480 -6.998 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.877 -4.912 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.010 -4.664 -7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.451 -4.131 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.650 -6.627 -10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.037 -5.912 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.631 -7.628 -9.252 1.00 0.00 H new ATOM 229 N GLU A 18 2.676 -6.617 -4.576 1.00 0.00 N ATOM 230 CA GLU A 18 3.857 -6.552 -3.726 1.00 0.00 C ATOM 231 C GLU A 18 3.580 -5.729 -2.471 1.00 0.00 C ATOM 232 O GLU A 18 2.582 -5.013 -2.392 1.00 0.00 O ATOM 233 CB GLU A 18 5.034 -5.946 -4.495 1.00 0.00 C ATOM 234 CG GLU A 18 4.816 -4.497 -4.900 1.00 0.00 C ATOM 235 CD GLU A 18 6.028 -3.894 -5.583 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.326 -4.299 -6.727 1.00 0.00 O ATOM 237 OE2 GLU A 18 6.678 -3.018 -4.975 1.00 0.00 O ATOM 0 H GLU A 18 2.055 -5.812 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 18 4.112 -7.568 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.931 -6.011 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.217 -6.541 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.958 -4.436 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.572 -3.909 -4.015 1.00 0.00 H new ATOM 244 N LYS A 19 4.470 -5.839 -1.490 1.00 0.00 N ATOM 245 CA LYS A 19 4.323 -5.105 -0.237 1.00 0.00 C ATOM 246 C LYS A 19 5.222 -3.874 -0.220 1.00 0.00 C ATOM 247 O LYS A 19 6.398 -3.945 -0.582 1.00 0.00 O ATOM 248 CB LYS A 19 4.658 -6.012 0.948 1.00 0.00 C ATOM 249 CG LYS A 19 4.765 -5.270 2.270 1.00 0.00 C ATOM 250 CD LYS A 19 4.503 -6.191 3.450 1.00 0.00 C ATOM 251 CE LYS A 19 5.442 -7.388 3.442 1.00 0.00 C ATOM 252 NZ LYS A 19 4.828 -8.579 4.092 1.00 0.00 N ATOM 0 H LYS A 19 5.301 -6.429 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 19 3.287 -4.776 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.891 -6.782 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.601 -6.522 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.759 -4.832 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.051 -4.446 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.627 -5.636 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.470 -6.537 3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.710 -7.633 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.366 -7.128 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.499 -9.373 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.596 -8.354 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.960 -8.843 3.584 1.00 0.00 H new ATOM 266 N VAL A 20 4.663 -2.745 0.205 1.00 0.00 N ATOM 267 CA VAL A 20 5.417 -1.499 0.273 1.00 0.00 C ATOM 268 C VAL A 20 5.399 -0.923 1.686 1.00 0.00 C ATOM 269 O VAL A 20 4.534 -1.260 2.494 1.00 0.00 O ATOM 270 CB VAL A 20 4.854 -0.449 -0.703 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.117 -0.864 -2.143 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.365 -0.243 -0.465 1.00 0.00 C ATOM 0 H VAL A 20 3.692 -2.668 0.507 1.00 0.00 H new ATOM 0 HA VAL A 20 6.443 -1.734 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 20 5.363 0.498 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.712 -0.110 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.191 -0.957 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.636 -1.822 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.985 0.502 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.838 -1.185 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.204 0.102 0.556 1.00 0.00 H new ATOM 282 N VAL A 21 6.361 -0.052 1.975 1.00 0.00 N ATOM 283 CA VAL A 21 6.456 0.574 3.289 1.00 0.00 C ATOM 284 C VAL A 21 6.325 2.088 3.188 1.00 0.00 C ATOM 285 O VAL A 21 6.964 2.721 2.348 1.00 0.00 O ATOM 286 CB VAL A 21 7.790 0.229 3.979 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.965 0.704 3.138 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.840 0.837 5.373 1.00 0.00 C ATOM 0 H VAL A 21 7.085 0.236 1.317 1.00 0.00 H new ATOM 0 HA VAL A 21 5.634 0.181 3.887 1.00 0.00 H new ATOM 0 HB VAL A 21 7.860 -0.854 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.898 0.452 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.935 0.217 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.905 1.784 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.789 0.584 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.748 1.921 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.019 0.442 5.972 1.00 0.00 H new ATOM 298 N ALA A 22 5.494 2.664 4.050 1.00 0.00 N ATOM 299 CA ALA A 22 5.281 4.106 4.059 1.00 0.00 C ATOM 300 C ALA A 22 6.438 4.827 4.740 1.00 0.00 C ATOM 301 O ALA A 22 6.514 4.876 5.968 1.00 0.00 O ATOM 302 CB ALA A 22 3.967 4.441 4.749 1.00 0.00 C ATOM 0 H ALA A 22 4.957 2.154 4.751 1.00 0.00 H new ATOM 0 HA ALA A 22 5.233 4.448 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.821 5.521 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.144 3.963 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.993 4.079 5.777 1.00 0.00 H new ATOM 308 N ILE A 23 7.337 5.385 3.937 1.00 0.00 N ATOM 309 CA ILE A 23 8.491 6.104 4.463 1.00 0.00 C ATOM 310 C ILE A 23 8.090 7.480 4.983 1.00 0.00 C ATOM 311 O ILE A 23 8.848 8.129 5.704 1.00 0.00 O ATOM 312 CB ILE A 23 9.587 6.270 3.395 1.00 0.00 C ATOM 313 CG1 ILE A 23 9.043 7.040 2.191 1.00 0.00 C ATOM 314 CG2 ILE A 23 10.117 4.910 2.964 1.00 0.00 C ATOM 315 CD1 ILE A 23 10.122 7.542 1.256 1.00 0.00 C ATOM 0 H ILE A 23 7.289 5.353 2.919 1.00 0.00 H new ATOM 0 HA ILE A 23 8.886 5.508 5.286 1.00 0.00 H new ATOM 0 HB ILE A 23 10.410 6.840 3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.363 6.395 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.458 7.888 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.891 5.044 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.537 4.393 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.302 4.317 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.663 8.078 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.789 8.213 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.692 6.696 0.871 1.00 0.00 H new ATOM 327 N TYR A 24 6.892 7.921 4.611 1.00 0.00 N ATOM 328 CA TYR A 24 6.391 9.221 5.039 1.00 0.00 C ATOM 329 C TYR A 24 4.947 9.116 5.523 1.00 0.00 C ATOM 330 O TYR A 24 4.318 8.064 5.411 1.00 0.00 O ATOM 331 CB TYR A 24 6.484 10.229 3.892 1.00 0.00 C ATOM 332 CG TYR A 24 7.899 10.653 3.572 1.00 0.00 C ATOM 333 CD1 TYR A 24 8.764 11.075 4.574 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.374 10.632 2.266 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.057 11.464 4.287 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.666 11.017 1.968 1.00 0.00 C ATOM 337 CZ TYR A 24 10.504 11.432 2.983 1.00 0.00 C ATOM 338 OH TYR A 24 11.792 11.818 2.690 1.00 0.00 O ATOM 0 H TYR A 24 6.251 7.397 4.015 1.00 0.00 H new ATOM 0 HA TYR A 24 7.009 9.566 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.033 9.794 3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.898 11.112 4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.418 11.099 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.720 10.309 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.714 11.791 5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.019 10.994 0.947 1.00 0.00 H new ATOM 0 HH TYR A 24 11.947 11.735 1.726 1.00 0.00 H new ATOM 348 N ASP A 25 4.428 10.215 6.059 1.00 0.00 N ATOM 349 CA ASP A 25 3.059 10.250 6.559 1.00 0.00 C ATOM 350 C ASP A 25 2.129 10.910 5.548 1.00 0.00 C ATOM 351 O ASP A 25 2.172 12.124 5.350 1.00 0.00 O ATOM 352 CB ASP A 25 2.998 10.998 7.891 1.00 0.00 C ATOM 353 CG ASP A 25 3.868 12.241 7.899 1.00 0.00 C ATOM 354 OD1 ASP A 25 5.107 12.097 7.826 1.00 0.00 O ATOM 355 OD2 ASP A 25 3.311 13.354 7.977 1.00 0.00 O ATOM 0 H ASP A 25 4.935 11.094 6.158 1.00 0.00 H new ATOM 0 HA ASP A 25 2.729 9.223 6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.966 11.279 8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.315 10.332 8.693 1.00 0.00 H new ATOM 360 N TYR A 26 1.288 10.103 4.910 1.00 0.00 N ATOM 361 CA TYR A 26 0.349 10.609 3.916 1.00 0.00 C ATOM 362 C TYR A 26 -1.076 10.606 4.461 1.00 0.00 C ATOM 363 O TYR A 26 -1.523 9.626 5.060 1.00 0.00 O ATOM 364 CB TYR A 26 0.420 9.766 2.640 1.00 0.00 C ATOM 365 CG TYR A 26 -0.657 10.099 1.635 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.501 11.152 0.742 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.833 9.359 1.575 1.00 0.00 C ATOM 368 CE1 TYR A 26 -1.484 11.459 -0.179 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.820 9.657 0.656 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.641 10.710 -0.218 1.00 0.00 C ATOM 371 OH TYR A 26 -3.621 11.012 -1.135 1.00 0.00 O ATOM 0 H TYR A 26 1.238 9.096 5.064 1.00 0.00 H new ATOM 0 HA TYR A 26 0.627 11.636 3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.396 9.907 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.344 8.712 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.404 11.741 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.977 8.536 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.347 12.282 -0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.726 9.070 0.622 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.370 10.388 -1.031 1.00 0.00 H new ATOM 381 N THR A 27 -1.786 11.710 4.250 1.00 0.00 N ATOM 382 CA THR A 27 -3.159 11.836 4.721 1.00 0.00 C ATOM 383 C THR A 27 -4.142 11.832 3.555 1.00 0.00 C ATOM 384 O THR A 27 -4.180 12.769 2.758 1.00 0.00 O ATOM 385 CB THR A 27 -3.357 13.127 5.538 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.377 13.201 6.580 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.752 13.177 6.142 1.00 0.00 C ATOM 0 H THR A 27 -1.432 12.529 3.756 1.00 0.00 H new ATOM 0 HA THR A 27 -3.353 10.976 5.361 1.00 0.00 H new ATOM 0 HB THR A 27 -3.239 13.978 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.508 14.025 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.868 14.097 6.714 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.495 13.149 5.345 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.894 12.320 6.801 1.00 0.00 H new ATOM 395 N LYS A 28 -4.936 10.771 3.462 1.00 0.00 N ATOM 396 CA LYS A 28 -5.922 10.644 2.395 1.00 0.00 C ATOM 397 C LYS A 28 -6.533 12.000 2.054 1.00 0.00 C ATOM 398 O LYS A 28 -6.995 12.723 2.937 1.00 0.00 O ATOM 399 CB LYS A 28 -7.025 9.666 2.804 1.00 0.00 C ATOM 400 CG LYS A 28 -8.008 10.241 3.809 1.00 0.00 C ATOM 401 CD LYS A 28 -9.178 10.921 3.116 1.00 0.00 C ATOM 402 CE LYS A 28 -10.319 9.947 2.865 1.00 0.00 C ATOM 403 NZ LYS A 28 -9.870 8.752 2.100 1.00 0.00 N ATOM 0 H LYS A 28 -4.916 9.986 4.113 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.414 10.260 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.570 9.354 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.567 8.772 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.379 9.444 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.497 10.959 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.534 11.750 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.845 11.345 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.742 9.630 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.114 10.452 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.669 8.097 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.521 9.049 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.106 8.274 2.619 1.00 0.00 H new ATOM 417 N ASP A 29 -6.532 12.338 0.769 1.00 0.00 N ATOM 418 CA ASP A 29 -7.089 13.605 0.312 1.00 0.00 C ATOM 419 C ASP A 29 -8.484 13.407 -0.273 1.00 0.00 C ATOM 420 O ASP A 29 -9.387 14.210 -0.039 1.00 0.00 O ATOM 421 CB ASP A 29 -6.171 14.243 -0.732 1.00 0.00 C ATOM 422 CG ASP A 29 -6.700 15.570 -1.237 1.00 0.00 C ATOM 423 OD1 ASP A 29 -7.717 15.564 -1.962 1.00 0.00 O ATOM 424 OD2 ASP A 29 -6.100 16.615 -0.908 1.00 0.00 O ATOM 0 H ASP A 29 -6.152 11.752 0.026 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.167 14.270 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.182 14.391 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.052 13.559 -1.573 1.00 0.00 H new ATOM 429 N LYS A 30 -8.652 12.332 -1.036 1.00 0.00 N ATOM 430 CA LYS A 30 -9.937 12.028 -1.655 1.00 0.00 C ATOM 431 C LYS A 30 -10.640 10.893 -0.919 1.00 0.00 C ATOM 432 O LYS A 30 -10.024 10.180 -0.127 1.00 0.00 O ATOM 433 CB LYS A 30 -9.740 11.651 -3.126 1.00 0.00 C ATOM 434 CG LYS A 30 -9.508 12.845 -4.034 1.00 0.00 C ATOM 435 CD LYS A 30 -9.853 12.522 -5.479 1.00 0.00 C ATOM 436 CE LYS A 30 -11.356 12.561 -5.714 1.00 0.00 C ATOM 437 NZ LYS A 30 -11.856 13.953 -5.878 1.00 0.00 N ATOM 0 H LYS A 30 -7.915 11.657 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.562 12.919 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.891 10.973 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.618 11.106 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.113 13.685 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.465 13.156 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.361 13.236 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.469 11.534 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.599 11.981 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.867 12.088 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.884 13.936 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.647 14.501 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.388 14.396 -6.694 1.00 0.00 H new ATOM 451 N GLU A 31 -11.932 10.731 -1.186 1.00 0.00 N ATOM 452 CA GLU A 31 -12.718 9.681 -0.547 1.00 0.00 C ATOM 453 C GLU A 31 -12.262 8.301 -1.010 1.00 0.00 C ATOM 454 O GLU A 31 -12.406 7.314 -0.290 1.00 0.00 O ATOM 455 CB GLU A 31 -14.206 9.868 -0.855 1.00 0.00 C ATOM 456 CG GLU A 31 -14.841 11.027 -0.105 1.00 0.00 C ATOM 457 CD GLU A 31 -14.862 10.809 1.396 1.00 0.00 C ATOM 458 OE1 GLU A 31 -13.881 11.196 2.065 1.00 0.00 O ATOM 459 OE2 GLU A 31 -15.860 10.251 1.900 1.00 0.00 O ATOM 0 H GLU A 31 -12.457 11.312 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.565 9.753 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.330 10.028 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.738 8.950 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.293 11.943 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.861 11.171 -0.462 1.00 0.00 H new ATOM 466 N ASP A 32 -11.709 8.242 -2.217 1.00 0.00 N ATOM 467 CA ASP A 32 -11.231 6.983 -2.777 1.00 0.00 C ATOM 468 C ASP A 32 -9.743 6.795 -2.497 1.00 0.00 C ATOM 469 O ASP A 32 -9.083 5.970 -3.128 1.00 0.00 O ATOM 470 CB ASP A 32 -11.487 6.941 -4.285 1.00 0.00 C ATOM 471 CG ASP A 32 -10.671 7.970 -5.040 1.00 0.00 C ATOM 472 OD1 ASP A 32 -10.912 9.180 -4.843 1.00 0.00 O ATOM 473 OD2 ASP A 32 -9.790 7.568 -5.830 1.00 0.00 O ATOM 0 H ASP A 32 -11.581 9.050 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.779 6.170 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.251 5.946 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.547 7.111 -4.475 1.00 0.00 H new ATOM 478 N GLU A 33 -9.223 7.566 -1.548 1.00 0.00 N ATOM 479 CA GLU A 33 -7.813 7.485 -1.185 1.00 0.00 C ATOM 480 C GLU A 33 -7.635 6.784 0.160 1.00 0.00 C ATOM 481 O GLU A 33 -8.597 6.598 0.907 1.00 0.00 O ATOM 482 CB GLU A 33 -7.196 8.883 -1.128 1.00 0.00 C ATOM 483 CG GLU A 33 -6.613 9.345 -2.453 1.00 0.00 C ATOM 484 CD GLU A 33 -7.398 8.836 -3.646 1.00 0.00 C ATOM 485 OE1 GLU A 33 -8.645 8.832 -3.579 1.00 0.00 O ATOM 486 OE2 GLU A 33 -6.765 8.441 -4.647 1.00 0.00 O ATOM 0 H GLU A 33 -9.757 8.254 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.302 6.901 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.957 9.594 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.411 8.894 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.591 10.435 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.581 9.004 -2.530 1.00 0.00 H new ATOM 493 N LEU A 34 -6.401 6.398 0.460 1.00 0.00 N ATOM 494 CA LEU A 34 -6.096 5.717 1.713 1.00 0.00 C ATOM 495 C LEU A 34 -5.117 6.533 2.553 1.00 0.00 C ATOM 496 O LEU A 34 -4.192 7.148 2.023 1.00 0.00 O ATOM 497 CB LEU A 34 -5.513 4.330 1.436 1.00 0.00 C ATOM 498 CG LEU A 34 -5.793 3.260 2.492 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.546 1.872 1.923 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.933 3.493 3.726 1.00 0.00 C ATOM 0 H LEU A 34 -5.595 6.545 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.025 5.609 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.902 3.979 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.433 4.428 1.324 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.841 3.329 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.750 1.123 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.203 1.707 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.507 1.790 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.145 2.723 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.880 3.450 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.158 4.473 4.146 1.00 0.00 H new ATOM 512 N SER A 35 -5.330 6.534 3.866 1.00 0.00 N ATOM 513 CA SER A 35 -4.468 7.276 4.778 1.00 0.00 C ATOM 514 C SER A 35 -3.585 6.327 5.584 1.00 0.00 C ATOM 515 O SER A 35 -4.031 5.264 6.015 1.00 0.00 O ATOM 516 CB SER A 35 -5.309 8.135 5.724 1.00 0.00 C ATOM 517 OG SER A 35 -4.565 9.239 6.208 1.00 0.00 O ATOM 0 H SER A 35 -6.091 6.030 4.321 1.00 0.00 H new ATOM 0 HA SER A 35 -3.826 7.926 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.198 8.492 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.653 7.529 6.562 1.00 0.00 H new ATOM 0 HG SER A 35 -5.125 9.773 6.809 1.00 0.00 H new ATOM 523 N PHE A 36 -2.331 6.721 5.784 1.00 0.00 N ATOM 524 CA PHE A 36 -1.386 5.907 6.536 1.00 0.00 C ATOM 525 C PHE A 36 -0.242 6.760 7.075 1.00 0.00 C ATOM 526 O PHE A 36 0.124 7.773 6.480 1.00 0.00 O ATOM 527 CB PHE A 36 -0.829 4.786 5.655 1.00 0.00 C ATOM 528 CG PHE A 36 -0.450 5.242 4.275 1.00 0.00 C ATOM 529 CD1 PHE A 36 0.824 5.720 4.015 1.00 0.00 C ATOM 530 CD2 PHE A 36 -1.368 5.192 3.238 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.175 6.140 2.745 1.00 0.00 C ATOM 532 CE2 PHE A 36 -1.023 5.610 1.967 1.00 0.00 C ATOM 533 CZ PHE A 36 0.250 6.085 1.721 1.00 0.00 C ATOM 0 H PHE A 36 -1.947 7.599 5.435 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.917 5.466 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.047 4.354 6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.573 3.993 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.551 5.765 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.365 4.822 3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.171 6.511 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.748 5.565 1.167 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.522 6.413 0.729 1.00 0.00 H new ATOM 543 N GLN A 37 0.318 6.343 8.208 1.00 0.00 N ATOM 544 CA GLN A 37 1.420 7.070 8.828 1.00 0.00 C ATOM 545 C GLN A 37 2.750 6.374 8.559 1.00 0.00 C ATOM 546 O GLN A 37 2.785 5.193 8.216 1.00 0.00 O ATOM 547 CB GLN A 37 1.190 7.195 10.335 1.00 0.00 C ATOM 548 CG GLN A 37 0.210 8.294 10.713 1.00 0.00 C ATOM 549 CD GLN A 37 0.401 8.781 12.136 1.00 0.00 C ATOM 550 OE1 GLN A 37 1.207 9.675 12.395 1.00 0.00 O ATOM 551 NE2 GLN A 37 -0.343 8.194 13.067 1.00 0.00 N ATOM 0 H GLN A 37 0.027 5.507 8.714 1.00 0.00 H new ATOM 0 HA GLN A 37 1.459 8.067 8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.821 6.243 10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.145 7.387 10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.328 9.133 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.808 7.925 10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.998 7.457 12.806 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.259 8.480 14.042 1.00 0.00 H new ATOM 560 N GLU A 38 3.842 7.118 8.717 1.00 0.00 N ATOM 561 CA GLU A 38 5.175 6.571 8.489 1.00 0.00 C ATOM 562 C GLU A 38 5.328 5.211 9.164 1.00 0.00 C ATOM 563 O GLU A 38 4.673 4.925 10.166 1.00 0.00 O ATOM 564 CB GLU A 38 6.241 7.536 9.013 1.00 0.00 C ATOM 565 CG GLU A 38 7.656 6.993 8.911 1.00 0.00 C ATOM 566 CD GLU A 38 8.005 6.056 10.051 1.00 0.00 C ATOM 567 OE1 GLU A 38 7.717 6.405 11.214 1.00 0.00 O ATOM 568 OE2 GLU A 38 8.567 4.974 9.780 1.00 0.00 O ATOM 0 H GLU A 38 3.830 8.098 9.001 1.00 0.00 H new ATOM 0 HA GLU A 38 5.308 6.441 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.178 8.471 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.025 7.771 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.771 6.466 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.360 7.825 8.901 1.00 0.00 H new ATOM 575 N GLY A 39 6.200 4.376 8.606 1.00 0.00 N ATOM 576 CA GLY A 39 6.423 3.055 9.166 1.00 0.00 C ATOM 577 C GLY A 39 5.186 2.181 9.103 1.00 0.00 C ATOM 578 O GLY A 39 4.928 1.392 10.012 1.00 0.00 O ATOM 0 H GLY A 39 6.755 4.590 7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.236 2.568 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.742 3.153 10.204 1.00 0.00 H new ATOM 582 N ALA A 40 4.418 2.322 8.027 1.00 0.00 N ATOM 583 CA ALA A 40 3.202 1.539 7.849 1.00 0.00 C ATOM 584 C ALA A 40 3.393 0.463 6.785 1.00 0.00 C ATOM 585 O ALA A 40 4.365 0.489 6.031 1.00 0.00 O ATOM 586 CB ALA A 40 2.037 2.448 7.479 1.00 0.00 C ATOM 0 H ALA A 40 4.617 2.971 7.266 1.00 0.00 H new ATOM 0 HA ALA A 40 2.977 1.044 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.135 1.849 7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.877 3.177 8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.263 2.969 6.549 1.00 0.00 H new ATOM 592 N ILE A 41 2.460 -0.481 6.732 1.00 0.00 N ATOM 593 CA ILE A 41 2.526 -1.565 5.760 1.00 0.00 C ATOM 594 C ILE A 41 1.300 -1.567 4.851 1.00 0.00 C ATOM 595 O ILE A 41 0.165 -1.523 5.326 1.00 0.00 O ATOM 596 CB ILE A 41 2.638 -2.936 6.453 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.814 -2.941 7.432 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.799 -4.041 5.419 1.00 0.00 C ATOM 599 CD1 ILE A 41 5.142 -3.258 6.780 1.00 0.00 C ATOM 0 H ILE A 41 1.650 -0.517 7.350 1.00 0.00 H new ATOM 0 HA ILE A 41 3.420 -1.395 5.160 1.00 0.00 H new ATOM 0 HB ILE A 41 1.721 -3.120 7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.879 -1.966 7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.620 -3.672 8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.877 -5.004 5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.934 -4.048 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.702 -3.864 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.930 -3.244 7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.096 -4.246 6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.359 -2.513 6.015 1.00 0.00 H new ATOM 611 N ILE A 42 1.539 -1.617 3.547 1.00 0.00 N ATOM 612 CA ILE A 42 0.454 -1.627 2.572 1.00 0.00 C ATOM 613 C ILE A 42 0.626 -2.763 1.569 1.00 0.00 C ATOM 614 O ILE A 42 1.740 -3.059 1.137 1.00 0.00 O ATOM 615 CB ILE A 42 0.369 -0.291 1.810 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.075 0.857 2.779 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.698 -0.365 0.728 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.649 2.183 2.336 1.00 0.00 C ATOM 0 H ILE A 42 2.473 -1.651 3.139 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.470 -1.776 3.130 1.00 0.00 H new ATOM 0 HB ILE A 42 1.330 -0.101 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.004 0.958 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.478 0.606 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.746 0.587 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.448 -1.159 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.665 -0.575 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.402 2.950 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.732 2.100 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.227 2.457 1.369 1.00 0.00 H new ATOM 630 N TYR A 43 -0.484 -3.391 1.200 1.00 0.00 N ATOM 631 CA TYR A 43 -0.456 -4.495 0.246 1.00 0.00 C ATOM 632 C TYR A 43 -0.978 -4.051 -1.117 1.00 0.00 C ATOM 633 O TYR A 43 -2.179 -4.102 -1.382 1.00 0.00 O ATOM 634 CB TYR A 43 -1.291 -5.667 0.766 1.00 0.00 C ATOM 635 CG TYR A 43 -0.865 -6.153 2.134 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.393 -6.708 2.335 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.721 -6.057 3.224 1.00 0.00 C ATOM 638 CE1 TYR A 43 0.785 -7.154 3.582 1.00 0.00 C ATOM 639 CE2 TYR A 43 -1.337 -6.501 4.475 1.00 0.00 C ATOM 640 CZ TYR A 43 -0.082 -7.047 4.649 1.00 0.00 C ATOM 641 OH TYR A 43 0.304 -7.491 5.893 1.00 0.00 O ATOM 0 H TYR A 43 -1.414 -3.156 1.546 1.00 0.00 H new ATOM 0 HA TYR A 43 0.579 -4.816 0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.338 -5.367 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.223 -6.493 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.076 -6.792 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.703 -5.628 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.766 -7.584 3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.015 -6.421 5.312 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.422 -7.342 6.534 1.00 0.00 H new ATOM 651 N VAL A 44 -0.064 -3.614 -1.979 1.00 0.00 N ATOM 652 CA VAL A 44 -0.430 -3.162 -3.316 1.00 0.00 C ATOM 653 C VAL A 44 -1.144 -4.264 -4.091 1.00 0.00 C ATOM 654 O VAL A 44 -0.552 -5.292 -4.416 1.00 0.00 O ATOM 655 CB VAL A 44 0.807 -2.707 -4.112 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.423 -2.356 -5.542 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.477 -1.526 -3.426 1.00 0.00 C ATOM 0 H VAL A 44 0.934 -3.564 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.104 -2.314 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 44 1.520 -3.531 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.310 -2.037 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.008 -3.231 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.309 -1.548 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.349 -1.218 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.773 -0.696 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.789 -1.817 -2.423 1.00 0.00 H new ATOM 667 N ILE A 45 -2.420 -4.038 -4.388 1.00 0.00 N ATOM 668 CA ILE A 45 -3.215 -5.011 -5.127 1.00 0.00 C ATOM 669 C ILE A 45 -3.548 -4.500 -6.525 1.00 0.00 C ATOM 670 O ILE A 45 -3.962 -5.264 -7.395 1.00 0.00 O ATOM 671 CB ILE A 45 -4.524 -5.346 -4.390 1.00 0.00 C ATOM 672 CG1 ILE A 45 -5.186 -4.066 -3.873 1.00 0.00 C ATOM 673 CG2 ILE A 45 -4.256 -6.310 -3.244 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.647 -4.240 -3.523 1.00 0.00 C ATOM 0 H ILE A 45 -2.925 -3.190 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.612 -5.915 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.205 -5.827 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.648 -3.719 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.092 -3.287 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.192 -6.537 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.824 -7.231 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.560 -5.854 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.050 -3.293 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.198 -4.557 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.747 -4.996 -2.744 1.00 0.00 H new ATOM 686 N LYS A 46 -3.361 -3.201 -6.734 1.00 0.00 N ATOM 687 CA LYS A 46 -3.638 -2.585 -8.026 1.00 0.00 C ATOM 688 C LYS A 46 -2.582 -1.539 -8.368 1.00 0.00 C ATOM 689 O LYS A 46 -2.040 -0.877 -7.483 1.00 0.00 O ATOM 690 CB LYS A 46 -5.026 -1.942 -8.020 1.00 0.00 C ATOM 691 CG LYS A 46 -5.669 -1.870 -9.395 1.00 0.00 C ATOM 692 CD LYS A 46 -7.055 -1.253 -9.331 1.00 0.00 C ATOM 693 CE LYS A 46 -8.096 -2.268 -8.882 1.00 0.00 C ATOM 694 NZ LYS A 46 -9.467 -1.887 -9.322 1.00 0.00 N ATOM 0 H LYS A 46 -3.018 -2.554 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.609 -3.366 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.676 -2.508 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.949 -0.935 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.039 -1.282 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.735 -2.872 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.047 -0.409 -8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.326 -0.861 -10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.845 -3.249 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.074 -2.355 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.147 -2.603 -8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.717 -0.962 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.495 -1.829 -10.360 1.00 0.00 H new ATOM 708 N LYS A 47 -2.294 -1.396 -9.657 1.00 0.00 N ATOM 709 CA LYS A 47 -1.305 -0.428 -10.118 1.00 0.00 C ATOM 710 C LYS A 47 -1.813 0.332 -11.339 1.00 0.00 C ATOM 711 O LYS A 47 -2.561 -0.211 -12.150 1.00 0.00 O ATOM 712 CB LYS A 47 0.010 -1.134 -10.455 1.00 0.00 C ATOM 713 CG LYS A 47 0.817 -1.536 -9.232 1.00 0.00 C ATOM 714 CD LYS A 47 2.263 -1.839 -9.592 1.00 0.00 C ATOM 715 CE LYS A 47 3.171 -1.736 -8.376 1.00 0.00 C ATOM 716 NZ LYS A 47 4.610 -1.809 -8.753 1.00 0.00 N ATOM 0 H LYS A 47 -2.732 -1.938 -10.402 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.132 0.287 -9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.207 -2.024 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.616 -0.477 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.785 -0.734 -8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.365 -2.413 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.332 -2.841 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.601 -1.144 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.978 -0.797 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.937 -2.540 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.197 -1.735 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.799 -2.716 -9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.840 -1.027 -9.399 1.00 0.00 H new ATOM 730 N ASN A 48 -1.402 1.590 -11.460 1.00 0.00 N ATOM 731 CA ASN A 48 -1.816 2.424 -12.583 1.00 0.00 C ATOM 732 C ASN A 48 -0.604 3.005 -13.305 1.00 0.00 C ATOM 733 O ASN A 48 0.445 3.223 -12.700 1.00 0.00 O ATOM 734 CB ASN A 48 -2.726 3.554 -12.098 1.00 0.00 C ATOM 735 CG ASN A 48 -4.096 3.054 -11.680 1.00 0.00 C ATOM 736 OD1 ASN A 48 -4.780 2.375 -12.445 1.00 0.00 O ATOM 737 ND2 ASN A 48 -4.501 3.390 -10.462 1.00 0.00 N ATOM 0 H ASN A 48 -0.783 2.054 -10.795 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.368 1.798 -13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.255 4.060 -11.256 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.838 4.293 -12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.414 3.083 -10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.900 3.955 -9.862 1.00 0.00 H new ATOM 744 N ASP A 49 -0.758 3.255 -14.601 1.00 0.00 N ATOM 745 CA ASP A 49 0.323 3.813 -15.405 1.00 0.00 C ATOM 746 C ASP A 49 1.096 4.869 -14.619 1.00 0.00 C ATOM 747 O ASP A 49 2.325 4.831 -14.554 1.00 0.00 O ATOM 748 CB ASP A 49 -0.235 4.424 -16.692 1.00 0.00 C ATOM 749 CG ASP A 49 -0.526 3.379 -17.750 1.00 0.00 C ATOM 750 OD1 ASP A 49 0.438 2.818 -18.312 1.00 0.00 O ATOM 751 OD2 ASP A 49 -1.718 3.119 -18.014 1.00 0.00 O ATOM 0 H ASP A 49 -1.620 3.080 -15.117 1.00 0.00 H new ATOM 0 HA ASP A 49 1.007 3.004 -15.662 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.150 4.971 -16.464 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.479 5.147 -17.087 1.00 0.00 H new ATOM 756 N ASP A 50 0.367 5.808 -14.025 1.00 0.00 N ATOM 757 CA ASP A 50 0.984 6.873 -13.244 1.00 0.00 C ATOM 758 C ASP A 50 1.429 6.359 -11.879 1.00 0.00 C ATOM 759 O ASP A 50 1.319 5.169 -11.587 1.00 0.00 O ATOM 760 CB ASP A 50 0.009 8.039 -13.071 1.00 0.00 C ATOM 761 CG ASP A 50 -0.732 8.369 -14.352 1.00 0.00 C ATOM 762 OD1 ASP A 50 -0.162 8.149 -15.441 1.00 0.00 O ATOM 763 OD2 ASP A 50 -1.883 8.845 -14.265 1.00 0.00 O ATOM 0 H ASP A 50 -0.651 5.853 -14.070 1.00 0.00 H new ATOM 0 HA ASP A 50 1.864 7.222 -13.785 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.712 7.794 -12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.556 8.919 -12.734 1.00 0.00 H new ATOM 768 N GLY A 51 1.933 7.265 -11.045 1.00 0.00 N ATOM 769 CA GLY A 51 2.387 6.883 -9.721 1.00 0.00 C ATOM 770 C GLY A 51 1.247 6.768 -8.728 1.00 0.00 C ATOM 771 O GLY A 51 1.177 7.529 -7.764 1.00 0.00 O ATOM 0 H GLY A 51 2.035 8.256 -11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.910 5.929 -9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.106 7.619 -9.360 1.00 0.00 H new ATOM 775 N TRP A 52 0.354 5.814 -8.965 1.00 0.00 N ATOM 776 CA TRP A 52 -0.790 5.604 -8.083 1.00 0.00 C ATOM 777 C TRP A 52 -1.192 4.134 -8.057 1.00 0.00 C ATOM 778 O TRP A 52 -1.629 3.581 -9.067 1.00 0.00 O ATOM 779 CB TRP A 52 -1.973 6.461 -8.534 1.00 0.00 C ATOM 780 CG TRP A 52 -1.752 7.931 -8.332 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.252 8.818 -9.243 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.023 8.681 -7.143 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.196 10.074 -8.692 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.663 10.018 -7.406 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.535 8.356 -5.885 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.799 11.025 -6.453 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -2.669 9.356 -4.941 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.304 10.679 -5.229 1.00 0.00 C ATOM 0 H TRP A 52 0.399 5.175 -9.758 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.500 5.901 -7.075 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.168 6.272 -9.590 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.864 6.156 -7.985 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.946 8.568 -10.248 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.861 10.914 -9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.821 7.341 -5.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.516 12.044 -6.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.062 9.115 -3.964 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.424 11.439 -4.471 1.00 0.00 H new ATOM 799 N TYR A 53 -1.044 3.505 -6.896 1.00 0.00 N ATOM 800 CA TYR A 53 -1.392 2.097 -6.740 1.00 0.00 C ATOM 801 C TYR A 53 -2.451 1.915 -5.657 1.00 0.00 C ATOM 802 O TYR A 53 -2.481 2.652 -4.673 1.00 0.00 O ATOM 803 CB TYR A 53 -0.147 1.277 -6.394 1.00 0.00 C ATOM 804 CG TYR A 53 1.131 1.847 -6.968 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.214 2.204 -8.309 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.254 2.028 -6.171 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.381 2.723 -8.839 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.423 2.549 -6.692 1.00 0.00 C ATOM 809 CZ TYR A 53 3.482 2.894 -8.026 1.00 0.00 C ATOM 810 OH TYR A 53 4.643 3.412 -8.548 1.00 0.00 O ATOM 0 H TYR A 53 -0.686 3.947 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.801 1.743 -7.686 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.053 1.215 -5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.279 0.259 -6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.353 2.074 -8.947 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.213 1.757 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.430 2.993 -9.884 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.286 2.685 -6.058 1.00 0.00 H new ATOM 0 HH TYR A 53 5.322 3.469 -7.843 1.00 0.00 H new ATOM 820 N GLU A 54 -3.319 0.924 -5.848 1.00 0.00 N ATOM 821 CA GLU A 54 -4.379 0.644 -4.889 1.00 0.00 C ATOM 822 C GLU A 54 -3.965 -0.469 -3.930 1.00 0.00 C ATOM 823 O GLU A 54 -3.564 -1.552 -4.354 1.00 0.00 O ATOM 824 CB GLU A 54 -5.666 0.251 -5.617 1.00 0.00 C ATOM 825 CG GLU A 54 -6.932 0.631 -4.866 1.00 0.00 C ATOM 826 CD GLU A 54 -8.096 0.918 -5.794 1.00 0.00 C ATOM 827 OE1 GLU A 54 -8.092 1.988 -6.437 1.00 0.00 O ATOM 828 OE2 GLU A 54 -9.012 0.073 -5.875 1.00 0.00 O ATOM 0 H GLU A 54 -3.307 0.304 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.559 1.551 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.679 0.727 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.663 -0.826 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.204 -0.177 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.736 1.510 -4.252 1.00 0.00 H new ATOM 835 N GLY A 55 -4.066 -0.193 -2.632 1.00 0.00 N ATOM 836 CA GLY A 55 -3.698 -1.179 -1.634 1.00 0.00 C ATOM 837 C GLY A 55 -4.650 -1.191 -0.453 1.00 0.00 C ATOM 838 O GLY A 55 -5.465 -0.283 -0.295 1.00 0.00 O ATOM 0 H GLY A 55 -4.396 0.696 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.681 -2.167 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.688 -0.974 -1.280 1.00 0.00 H new ATOM 842 N VAL A 56 -4.546 -2.224 0.378 1.00 0.00 N ATOM 843 CA VAL A 56 -5.405 -2.351 1.549 1.00 0.00 C ATOM 844 C VAL A 56 -4.642 -2.022 2.827 1.00 0.00 C ATOM 845 O VAL A 56 -3.461 -2.341 2.956 1.00 0.00 O ATOM 846 CB VAL A 56 -5.990 -3.771 1.665 1.00 0.00 C ATOM 847 CG1 VAL A 56 -7.007 -3.839 2.794 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.617 -4.197 0.346 1.00 0.00 C ATOM 0 H VAL A 56 -3.876 -2.984 0.262 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.221 -1.640 1.422 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.179 -4.462 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.410 -4.850 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.524 -3.578 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.818 -3.138 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.026 -5.203 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.417 -3.505 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.858 -4.189 -0.437 1.00 0.00 H new ATOM 858 N MET A 57 -5.327 -1.383 3.772 1.00 0.00 N ATOM 859 CA MET A 57 -4.714 -1.013 5.041 1.00 0.00 C ATOM 860 C MET A 57 -5.761 -0.933 6.148 1.00 0.00 C ATOM 861 O MET A 57 -6.624 -0.058 6.135 1.00 0.00 O ATOM 862 CB MET A 57 -3.990 0.328 4.910 1.00 0.00 C ATOM 863 CG MET A 57 -2.850 0.503 5.901 1.00 0.00 C ATOM 864 SD MET A 57 -3.422 0.986 7.540 1.00 0.00 S ATOM 865 CE MET A 57 -3.589 2.759 7.331 1.00 0.00 C ATOM 0 H MET A 57 -6.306 -1.112 3.681 1.00 0.00 H new ATOM 0 HA MET A 57 -3.990 -1.784 5.305 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.598 0.422 3.897 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.709 1.135 5.050 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.292 -0.431 5.976 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.159 1.258 5.525 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.549 3.084 7.732 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.783 3.266 7.863 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.536 3.007 6.271 1.00 0.00 H new ATOM 875 N ASN A 58 -5.677 -1.854 7.103 1.00 0.00 N ATOM 876 CA ASN A 58 -6.619 -1.888 8.215 1.00 0.00 C ATOM 877 C ASN A 58 -8.050 -2.056 7.713 1.00 0.00 C ATOM 878 O ASN A 58 -8.978 -1.441 8.236 1.00 0.00 O ATOM 879 CB ASN A 58 -6.506 -0.608 9.046 1.00 0.00 C ATOM 880 CG ASN A 58 -6.851 -0.833 10.505 1.00 0.00 C ATOM 881 OD1 ASN A 58 -5.990 -0.737 11.380 1.00 0.00 O ATOM 882 ND2 ASN A 58 -8.115 -1.134 10.775 1.00 0.00 N ATOM 0 H ASN A 58 -4.967 -2.586 7.129 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.370 -2.744 8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.491 -0.218 8.972 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.170 0.151 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.406 -1.296 11.739 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.796 -1.203 10.018 1.00 0.00 H new ATOM 889 N GLY A 59 -8.219 -2.894 6.695 1.00 0.00 N ATOM 890 CA GLY A 59 -9.539 -3.130 6.138 1.00 0.00 C ATOM 891 C GLY A 59 -9.954 -2.052 5.155 1.00 0.00 C ATOM 892 O GLY A 59 -10.638 -2.332 4.171 1.00 0.00 O ATOM 0 H GLY A 59 -7.465 -3.414 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.551 -4.098 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.268 -3.180 6.947 1.00 0.00 H new ATOM 896 N VAL A 60 -9.540 -0.818 5.423 1.00 0.00 N ATOM 897 CA VAL A 60 -9.872 0.305 4.554 1.00 0.00 C ATOM 898 C VAL A 60 -9.031 0.284 3.284 1.00 0.00 C ATOM 899 O VAL A 60 -7.802 0.222 3.339 1.00 0.00 O ATOM 900 CB VAL A 60 -9.666 1.650 5.273 1.00 0.00 C ATOM 901 CG1 VAL A 60 -9.900 2.809 4.314 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.584 1.755 6.482 1.00 0.00 C ATOM 0 H VAL A 60 -8.974 -0.570 6.235 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.924 0.201 4.290 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.635 1.701 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.750 3.752 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.198 2.741 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.920 2.765 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.424 2.712 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.622 1.683 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.364 0.945 7.177 1.00 0.00 H new ATOM 912 N THR A 61 -9.700 0.338 2.135 1.00 0.00 N ATOM 913 CA THR A 61 -9.014 0.326 0.850 1.00 0.00 C ATOM 914 C THR A 61 -8.994 1.715 0.224 1.00 0.00 C ATOM 915 O THR A 61 -9.970 2.459 0.309 1.00 0.00 O ATOM 916 CB THR A 61 -9.678 -0.659 -0.132 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.990 -1.884 0.539 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.765 -0.940 -1.316 1.00 0.00 C ATOM 0 H THR A 61 -10.717 0.390 2.070 1.00 0.00 H new ATOM 0 HA THR A 61 -7.991 0.003 1.041 1.00 0.00 H new ATOM 0 HB THR A 61 -10.597 -0.205 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.413 -2.504 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.255 -1.638 -1.996 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.554 -0.009 -1.842 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.831 -1.375 -0.960 1.00 0.00 H new ATOM 926 N GLY A 62 -7.876 2.059 -0.408 1.00 0.00 N ATOM 927 CA GLY A 62 -7.751 3.360 -1.039 1.00 0.00 C ATOM 928 C GLY A 62 -6.459 3.505 -1.820 1.00 0.00 C ATOM 929 O GLY A 62 -5.466 2.841 -1.520 1.00 0.00 O ATOM 0 H GLY A 62 -7.055 1.460 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.596 3.518 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.799 4.137 -0.276 1.00 0.00 H new ATOM 933 N LEU A 63 -6.472 4.371 -2.827 1.00 0.00 N ATOM 934 CA LEU A 63 -5.292 4.599 -3.654 1.00 0.00 C ATOM 935 C LEU A 63 -4.264 5.450 -2.915 1.00 0.00 C ATOM 936 O LEU A 63 -4.608 6.202 -2.002 1.00 0.00 O ATOM 937 CB LEU A 63 -5.688 5.282 -4.965 1.00 0.00 C ATOM 938 CG LEU A 63 -6.067 4.351 -6.118 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.024 5.047 -7.073 1.00 0.00 C ATOM 940 CD2 LEU A 63 -4.821 3.882 -6.855 1.00 0.00 C ATOM 0 H LEU A 63 -7.286 4.927 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.843 3.631 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.531 5.944 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.859 5.910 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.571 3.477 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.283 4.370 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.929 5.333 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.547 5.938 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.109 3.221 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.289 4.745 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.171 3.344 -6.165 1.00 0.00 H new ATOM 952 N PHE A 64 -3.004 5.329 -3.317 1.00 0.00 N ATOM 953 CA PHE A 64 -1.926 6.088 -2.694 1.00 0.00 C ATOM 954 C PHE A 64 -0.749 6.247 -3.651 1.00 0.00 C ATOM 955 O PHE A 64 -0.473 5.384 -4.486 1.00 0.00 O ATOM 956 CB PHE A 64 -1.463 5.398 -1.410 1.00 0.00 C ATOM 957 CG PHE A 64 -0.890 4.028 -1.637 1.00 0.00 C ATOM 958 CD1 PHE A 64 -1.722 2.938 -1.829 1.00 0.00 C ATOM 959 CD2 PHE A 64 0.482 3.833 -1.662 1.00 0.00 C ATOM 960 CE1 PHE A 64 -1.197 1.676 -2.038 1.00 0.00 C ATOM 961 CE2 PHE A 64 1.013 2.574 -1.872 1.00 0.00 C ATOM 962 CZ PHE A 64 0.173 1.494 -2.060 1.00 0.00 C ATOM 0 H PHE A 64 -2.704 4.712 -4.072 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.309 7.079 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.712 6.021 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.307 5.321 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.793 3.075 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.144 4.674 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.857 0.833 -2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.084 2.435 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.586 0.509 -2.224 1.00 0.00 H new ATOM 972 N PRO A 65 -0.036 7.377 -3.531 1.00 0.00 N ATOM 973 CA PRO A 65 1.124 7.676 -4.376 1.00 0.00 C ATOM 974 C PRO A 65 2.314 6.775 -4.066 1.00 0.00 C ATOM 975 O PRO A 65 2.704 6.619 -2.910 1.00 0.00 O ATOM 976 CB PRO A 65 1.449 9.130 -4.029 1.00 0.00 C ATOM 977 CG PRO A 65 0.914 9.321 -2.651 1.00 0.00 C ATOM 978 CD PRO A 65 -0.306 8.448 -2.557 1.00 0.00 C ATOM 0 HA PRO A 65 0.912 7.513 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.523 9.315 -4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.983 9.819 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.654 9.039 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.661 10.366 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.440 8.051 -1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.214 8.998 -2.806 1.00 0.00 H new ATOM 986 N GLY A 66 2.890 6.184 -5.109 1.00 0.00 N ATOM 987 CA GLY A 66 4.032 5.307 -4.927 1.00 0.00 C ATOM 988 C GLY A 66 5.288 6.062 -4.543 1.00 0.00 C ATOM 989 O GLY A 66 6.337 5.460 -4.315 1.00 0.00 O ATOM 0 H GLY A 66 2.586 6.297 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.803 4.573 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.212 4.754 -5.849 1.00 0.00 H new ATOM 993 N ASN A 67 5.184 7.385 -4.473 1.00 0.00 N ATOM 994 CA ASN A 67 6.322 8.225 -4.115 1.00 0.00 C ATOM 995 C ASN A 67 6.443 8.361 -2.602 1.00 0.00 C ATOM 996 O ASN A 67 7.546 8.456 -2.063 1.00 0.00 O ATOM 997 CB ASN A 67 6.183 9.608 -4.755 1.00 0.00 C ATOM 998 CG ASN A 67 7.422 10.460 -4.565 1.00 0.00 C ATOM 999 OD1 ASN A 67 8.516 9.943 -4.334 1.00 0.00 O ATOM 1000 ND2 ASN A 67 7.256 11.774 -4.660 1.00 0.00 N ATOM 0 H ASN A 67 4.323 7.899 -4.659 1.00 0.00 H new ATOM 0 HA ASN A 67 7.227 7.748 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.984 9.494 -5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.323 10.120 -4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.053 12.399 -4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.331 12.159 -4.853 1.00 0.00 H new ATOM 1007 N TYR A 68 5.303 8.371 -1.921 1.00 0.00 N ATOM 1008 CA TYR A 68 5.280 8.499 -0.468 1.00 0.00 C ATOM 1009 C TYR A 68 5.821 7.238 0.197 1.00 0.00 C ATOM 1010 O TYR A 68 6.287 7.272 1.336 1.00 0.00 O ATOM 1011 CB TYR A 68 3.857 8.776 0.018 1.00 0.00 C ATOM 1012 CG TYR A 68 3.516 10.248 0.087 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.343 10.996 -1.070 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.368 10.890 1.311 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.032 12.341 -1.013 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.058 12.234 1.378 1.00 0.00 C ATOM 1017 CZ TYR A 68 2.890 12.955 0.214 1.00 0.00 C ATOM 1018 OH TYR A 68 2.581 14.294 0.277 1.00 0.00 O ATOM 0 H TYR A 68 4.382 8.292 -2.352 1.00 0.00 H new ATOM 0 HA TYR A 68 5.920 9.337 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.151 8.279 -0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.727 8.335 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.454 10.518 -2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.498 10.329 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.901 12.908 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.948 12.718 2.337 1.00 0.00 H new ATOM 0 HH TYR A 68 2.516 14.571 1.215 1.00 0.00 H new ATOM 1028 N VAL A 69 5.755 6.121 -0.522 1.00 0.00 N ATOM 1029 CA VAL A 69 6.239 4.848 -0.004 1.00 0.00 C ATOM 1030 C VAL A 69 7.426 4.339 -0.815 1.00 0.00 C ATOM 1031 O VAL A 69 7.809 4.943 -1.815 1.00 0.00 O ATOM 1032 CB VAL A 69 5.128 3.780 -0.014 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.887 4.292 0.698 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.802 3.365 -1.441 1.00 0.00 C ATOM 0 H VAL A 69 5.371 6.073 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 69 6.555 5.024 1.024 1.00 0.00 H new ATOM 0 HB VAL A 69 5.487 2.902 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.114 3.524 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.134 4.534 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.521 5.186 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.016 2.610 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.463 4.234 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.694 2.953 -1.913 1.00 0.00 H new ATOM 1044 N GLU A 70 8.002 3.226 -0.374 1.00 0.00 N ATOM 1045 CA GLU A 70 9.147 2.636 -1.060 1.00 0.00 C ATOM 1046 C GLU A 70 8.993 1.122 -1.173 1.00 0.00 C ATOM 1047 O GLU A 70 8.189 0.515 -0.467 1.00 0.00 O ATOM 1048 CB GLU A 70 10.443 2.974 -0.318 1.00 0.00 C ATOM 1049 CG GLU A 70 10.980 4.360 -0.633 1.00 0.00 C ATOM 1050 CD GLU A 70 11.621 4.440 -2.004 1.00 0.00 C ATOM 1051 OE1 GLU A 70 10.887 4.660 -2.990 1.00 0.00 O ATOM 1052 OE2 GLU A 70 12.856 4.281 -2.092 1.00 0.00 O ATOM 0 H GLU A 70 7.696 2.715 0.454 1.00 0.00 H new ATOM 0 HA GLU A 70 9.192 3.055 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.268 2.896 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.201 2.233 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.166 5.083 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.712 4.642 0.123 1.00 0.00 H new ATOM 1059 N SER A 71 9.769 0.520 -2.068 1.00 0.00 N ATOM 1060 CA SER A 71 9.716 -0.922 -2.279 1.00 0.00 C ATOM 1061 C SER A 71 10.671 -1.644 -1.331 1.00 0.00 C ATOM 1062 O SER A 71 11.890 -1.500 -1.431 1.00 0.00 O ATOM 1063 CB SER A 71 10.067 -1.260 -3.729 1.00 0.00 C ATOM 1064 OG SER A 71 9.230 -0.559 -4.633 1.00 0.00 O ATOM 0 H SER A 71 10.442 1.008 -2.659 1.00 0.00 H new ATOM 0 HA SER A 71 8.700 -1.258 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.109 -1.007 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.964 -2.333 -3.891 1.00 0.00 H new ATOM 0 HG SER A 71 9.475 -0.791 -5.553 1.00 0.00 H new ATOM 1070 N ILE A 72 10.106 -2.421 -0.413 1.00 0.00 N ATOM 1071 CA ILE A 72 10.905 -3.168 0.551 1.00 0.00 C ATOM 1072 C ILE A 72 11.383 -4.490 -0.037 1.00 0.00 C ATOM 1073 O ILE A 72 12.342 -5.088 0.452 1.00 0.00 O ATOM 1074 CB ILE A 72 10.112 -3.449 1.841 1.00 0.00 C ATOM 1075 CG1 ILE A 72 8.886 -4.313 1.534 1.00 0.00 C ATOM 1076 CG2 ILE A 72 9.696 -2.144 2.504 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.191 -4.837 2.770 1.00 0.00 C ATOM 0 H ILE A 72 9.099 -2.550 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 72 11.769 -2.548 0.792 1.00 0.00 H new ATOM 0 HB ILE A 72 10.754 -3.995 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.177 -3.728 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.192 -5.156 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.137 -2.360 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.584 -1.563 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.069 -1.572 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.332 -5.440 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.885 -5.450 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.854 -3.999 3.381 1.00 0.00 H new ATOM 1089 N SER A 73 10.711 -4.940 -1.092 1.00 0.00 N ATOM 1090 CA SER A 73 11.067 -6.193 -1.747 1.00 0.00 C ATOM 1091 C SER A 73 11.609 -5.939 -3.151 1.00 0.00 C ATOM 1092 O SER A 73 10.932 -5.351 -3.992 1.00 0.00 O ATOM 1093 CB SER A 73 9.852 -7.119 -1.818 1.00 0.00 C ATOM 1094 OG SER A 73 10.247 -8.473 -1.946 1.00 0.00 O ATOM 0 H SER A 73 9.917 -4.456 -1.511 1.00 0.00 H new ATOM 0 HA SER A 73 11.847 -6.673 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.246 -6.998 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.226 -6.838 -2.665 1.00 0.00 H new ATOM 0 HG SER A 73 9.451 -9.043 -1.987 1.00 0.00 H new ATOM 1100 N GLY A 74 12.838 -6.385 -3.394 1.00 0.00 N ATOM 1101 CA GLY A 74 13.452 -6.196 -4.696 1.00 0.00 C ATOM 1102 C GLY A 74 14.339 -4.968 -4.745 1.00 0.00 C ATOM 1103 O GLY A 74 14.809 -4.473 -3.720 1.00 0.00 O ATOM 0 H GLY A 74 13.419 -6.874 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.042 -7.077 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.672 -6.108 -5.453 1.00 0.00 H new ATOM 1107 N PRO A 75 14.581 -4.457 -5.961 1.00 0.00 N ATOM 1108 CA PRO A 75 15.421 -3.274 -6.170 1.00 0.00 C ATOM 1109 C PRO A 75 14.762 -1.997 -5.658 1.00 0.00 C ATOM 1110 O PRO A 75 13.556 -1.805 -5.814 1.00 0.00 O ATOM 1111 CB PRO A 75 15.583 -3.218 -7.691 1.00 0.00 C ATOM 1112 CG PRO A 75 14.385 -3.922 -8.227 1.00 0.00 C ATOM 1113 CD PRO A 75 14.054 -4.994 -7.226 1.00 0.00 C ATOM 0 HA PRO A 75 16.365 -3.344 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.629 -2.189 -8.046 1.00 0.00 H new ATOM 0 HB3 PRO A 75 16.504 -3.706 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.550 -3.233 -8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.591 -4.353 -9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.980 -5.173 -7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.522 -5.944 -7.485 1.00 0.00 H new ATOM 1121 N SER A 76 15.560 -1.129 -5.046 1.00 0.00 N ATOM 1122 CA SER A 76 15.053 0.129 -4.508 1.00 0.00 C ATOM 1123 C SER A 76 14.525 1.024 -5.625 1.00 0.00 C ATOM 1124 O SER A 76 13.446 1.606 -5.510 1.00 0.00 O ATOM 1125 CB SER A 76 16.153 0.857 -3.733 1.00 0.00 C ATOM 1126 OG SER A 76 17.188 1.286 -4.599 1.00 0.00 O ATOM 0 H SER A 76 16.561 -1.273 -4.910 1.00 0.00 H new ATOM 0 HA SER A 76 14.231 -0.100 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 76 15.729 1.717 -3.214 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.564 0.195 -2.970 1.00 0.00 H new ATOM 0 HG SER A 76 17.878 1.750 -4.080 1.00 0.00 H new ATOM 1132 N SER A 77 15.291 1.127 -6.704 1.00 0.00 N ATOM 1133 CA SER A 77 14.904 1.954 -7.841 1.00 0.00 C ATOM 1134 C SER A 77 15.712 1.587 -9.083 1.00 0.00 C ATOM 1135 O SER A 77 16.639 0.780 -9.016 1.00 0.00 O ATOM 1136 CB SER A 77 15.099 3.435 -7.512 1.00 0.00 C ATOM 1137 OG SER A 77 16.476 3.768 -7.449 1.00 0.00 O ATOM 0 H SER A 77 16.185 0.648 -6.816 1.00 0.00 H new ATOM 0 HA SER A 77 13.850 1.770 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.608 4.046 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.622 3.665 -6.559 1.00 0.00 H new ATOM 0 HG SER A 77 16.573 4.720 -7.239 1.00 0.00 H new ATOM 1143 N GLY A 78 15.354 2.186 -10.213 1.00 0.00 N ATOM 1144 CA GLY A 78 16.055 1.909 -11.454 1.00 0.00 C ATOM 1145 C GLY A 78 15.396 0.807 -12.259 1.00 0.00 C ATOM 1146 O GLY A 78 14.247 0.445 -12.004 1.00 0.00 O ATOM 0 H GLY A 78 14.591 2.858 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.097 2.818 -12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.084 1.626 -11.231 1.00 0.00 H new TER 1150 GLY A 78