USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 983 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 55 TYR OH : rot 110:sc= 0 USER MOD Set 1.2: A 84 THR OG1 : rot 160:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.794 USER MOD Set 2.2: A 16 THR OG1 : rot 102:sc= 0.866 USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.667 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -0.0141 (180deg=-0.0141) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0896 K(o=-0.09,f=-0.7) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0374 F(o=-1,f=-0.037) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -4:sc= -0.0341 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= 1.21 (180deg=-0.298) USER MOD Single : A 41 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0619 X(o=-0.062,f=-0.22) USER MOD Single : A 57 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.16) USER MOD Single : A 59 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-3.5!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -40:sc= 0.0218 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 120:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 CYS SG : rot 6:sc= -0.0249 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00381 USER MOD Single : A 97 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.011) USER MOD Single : A 105 THR OG1 : rot 55:sc= 1.15 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot 57:sc= 1.27 USER MOD Single : A 117 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0439) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc=-0.00196 USER MOD Single : A 125 SER OG : rot 17:sc= 0.991 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.042 16.347 -26.301 1.00 0.00 N ATOM 2 CA GLY A 1 12.254 16.951 -25.734 1.00 0.00 C ATOM 3 C GLY A 1 12.309 16.670 -24.246 1.00 0.00 C ATOM 4 O GLY A 1 11.258 16.507 -23.632 1.00 0.00 O ATOM 0 H1 GLY A 1 10.590 17.021 -26.952 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.295 15.482 -26.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.381 16.110 -25.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.139 16.546 -26.225 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.255 18.026 -25.912 1.00 0.00 H new ATOM 8 N SER A 2 13.500 16.612 -23.640 1.00 0.00 N ATOM 9 CA SER A 2 13.633 16.626 -22.188 1.00 0.00 C ATOM 10 C SER A 2 15.002 17.189 -21.794 1.00 0.00 C ATOM 11 O SER A 2 15.918 17.274 -22.621 1.00 0.00 O ATOM 12 CB SER A 2 13.368 15.220 -21.615 1.00 0.00 C ATOM 13 OG SER A 2 14.290 14.234 -22.049 1.00 0.00 O ATOM 0 H SER A 2 14.387 16.555 -24.140 1.00 0.00 H new ATOM 0 HA SER A 2 12.883 17.285 -21.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.394 15.272 -20.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.362 14.909 -21.895 1.00 0.00 H new ATOM 0 HG SER A 2 14.061 13.371 -21.645 1.00 0.00 H new ATOM 19 N SER A 3 15.150 17.585 -20.535 1.00 0.00 N ATOM 20 CA SER A 3 16.381 17.980 -19.860 1.00 0.00 C ATOM 21 C SER A 3 16.159 17.730 -18.357 1.00 0.00 C ATOM 22 O SER A 3 15.142 17.144 -17.973 1.00 0.00 O ATOM 23 CB SER A 3 16.704 19.451 -20.183 1.00 0.00 C ATOM 24 OG SER A 3 17.069 19.619 -21.542 1.00 0.00 O ATOM 0 H SER A 3 14.347 17.643 -19.909 1.00 0.00 H new ATOM 0 HA SER A 3 17.242 17.403 -20.196 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.837 20.072 -19.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.516 19.795 -19.542 1.00 0.00 H new ATOM 0 HG SER A 3 16.863 18.800 -22.040 1.00 0.00 H new ATOM 30 N GLY A 4 17.090 18.157 -17.502 1.00 0.00 N ATOM 31 CA GLY A 4 16.907 18.141 -16.059 1.00 0.00 C ATOM 32 C GLY A 4 17.316 16.800 -15.472 1.00 0.00 C ATOM 33 O GLY A 4 16.510 15.871 -15.427 1.00 0.00 O ATOM 0 H GLY A 4 17.994 18.524 -17.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.499 18.936 -15.605 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.863 18.344 -15.819 1.00 0.00 H new ATOM 37 N SER A 5 18.564 16.707 -15.017 1.00 0.00 N ATOM 38 CA SER A 5 19.120 15.553 -14.325 1.00 0.00 C ATOM 39 C SER A 5 19.725 16.047 -13.009 1.00 0.00 C ATOM 40 O SER A 5 20.697 16.809 -13.021 1.00 0.00 O ATOM 41 CB SER A 5 20.098 14.800 -15.244 1.00 0.00 C ATOM 42 OG SER A 5 20.877 15.658 -16.073 1.00 0.00 O ATOM 0 H SER A 5 19.239 17.464 -15.126 1.00 0.00 H new ATOM 0 HA SER A 5 18.356 14.816 -14.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.767 14.195 -14.631 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.535 14.112 -15.875 1.00 0.00 H new ATOM 0 HG SER A 5 21.477 15.119 -16.629 1.00 0.00 H new ATOM 48 N SER A 6 19.095 15.706 -11.886 1.00 0.00 N ATOM 49 CA SER A 6 19.482 16.128 -10.544 1.00 0.00 C ATOM 50 C SER A 6 19.623 14.876 -9.674 1.00 0.00 C ATOM 51 O SER A 6 18.851 13.927 -9.838 1.00 0.00 O ATOM 52 CB SER A 6 18.414 17.074 -9.961 1.00 0.00 C ATOM 53 OG SER A 6 18.116 18.165 -10.824 1.00 0.00 O ATOM 0 H SER A 6 18.270 15.106 -11.888 1.00 0.00 H new ATOM 0 HA SER A 6 20.429 16.667 -10.573 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.502 16.510 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.760 17.459 -9.002 1.00 0.00 H new ATOM 0 HG SER A 6 17.433 18.733 -10.410 1.00 0.00 H new ATOM 59 N GLY A 7 20.564 14.877 -8.729 1.00 0.00 N ATOM 60 CA GLY A 7 20.664 13.810 -7.741 1.00 0.00 C ATOM 61 C GLY A 7 19.463 13.836 -6.792 1.00 0.00 C ATOM 62 O GLY A 7 18.726 14.827 -6.731 1.00 0.00 O ATOM 0 H GLY A 7 21.268 15.608 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.715 12.845 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.586 13.921 -7.171 1.00 0.00 H new ATOM 66 N MET A 8 19.283 12.757 -6.028 1.00 0.00 N ATOM 67 CA MET A 8 18.279 12.637 -4.981 1.00 0.00 C ATOM 68 C MET A 8 18.894 11.941 -3.768 1.00 0.00 C ATOM 69 O MET A 8 19.416 10.825 -3.865 1.00 0.00 O ATOM 70 CB MET A 8 17.045 11.863 -5.467 1.00 0.00 C ATOM 71 CG MET A 8 16.270 12.594 -6.567 1.00 0.00 C ATOM 72 SD MET A 8 14.650 11.849 -6.892 1.00 0.00 S ATOM 73 CE MET A 8 14.156 12.773 -8.373 1.00 0.00 C ATOM 0 H MET A 8 19.853 11.917 -6.128 1.00 0.00 H new ATOM 0 HA MET A 8 17.949 13.639 -4.705 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.359 10.888 -5.839 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.381 11.683 -4.622 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.135 13.637 -6.279 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.858 12.590 -7.485 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.175 12.433 -8.703 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.112 13.837 -8.140 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.884 12.605 -9.166 1.00 0.00 H new ATOM 83 N ASN A 9 18.798 12.618 -2.627 1.00 0.00 N ATOM 84 CA ASN A 9 19.072 12.132 -1.275 1.00 0.00 C ATOM 85 C ASN A 9 18.087 11.001 -0.938 1.00 0.00 C ATOM 86 O ASN A 9 16.996 10.963 -1.516 1.00 0.00 O ATOM 87 CB ASN A 9 18.818 13.334 -0.355 1.00 0.00 C ATOM 88 CG ASN A 9 19.503 13.351 1.001 1.00 0.00 C ATOM 89 OD1 ASN A 9 20.448 12.622 1.308 1.00 0.00 O ATOM 90 ND2 ASN A 9 19.067 14.283 1.834 1.00 0.00 N ATOM 0 H ASN A 9 18.504 13.595 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 9 20.085 11.745 -1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.117 14.234 -0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.743 13.405 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.514 14.405 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.284 14.880 1.567 1.00 0.00 H new ATOM 97 N LYS A 10 18.410 10.115 0.009 1.00 0.00 N ATOM 98 CA LYS A 10 17.578 8.944 0.304 1.00 0.00 C ATOM 99 C LYS A 10 16.170 9.343 0.760 1.00 0.00 C ATOM 100 O LYS A 10 16.056 10.182 1.665 1.00 0.00 O ATOM 101 CB LYS A 10 18.231 8.033 1.355 1.00 0.00 C ATOM 102 CG LYS A 10 19.197 7.057 0.675 1.00 0.00 C ATOM 103 CD LYS A 10 20.011 6.275 1.712 1.00 0.00 C ATOM 104 CE LYS A 10 20.922 5.274 0.996 1.00 0.00 C ATOM 105 NZ LYS A 10 21.529 4.310 1.936 1.00 0.00 N ATOM 0 H LYS A 10 19.247 10.187 0.588 1.00 0.00 H new ATOM 0 HA LYS A 10 17.490 8.387 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.766 8.636 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.463 7.480 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.637 6.363 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.871 7.606 0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.608 6.960 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.342 5.751 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.347 4.734 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.710 5.813 0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.138 3.650 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 22.099 4.822 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.778 3.778 2.420 1.00 0.00 H new ATOM 119 N PRO A 11 15.123 8.743 0.167 1.00 0.00 N ATOM 120 CA PRO A 11 13.761 8.767 0.673 1.00 0.00 C ATOM 121 C PRO A 11 13.606 7.753 1.829 1.00 0.00 C ATOM 122 O PRO A 11 14.581 7.418 2.510 1.00 0.00 O ATOM 123 CB PRO A 11 12.899 8.480 -0.563 1.00 0.00 C ATOM 124 CG PRO A 11 13.771 7.563 -1.418 1.00 0.00 C ATOM 125 CD PRO A 11 15.202 7.866 -0.994 1.00 0.00 C ATOM 0 HA PRO A 11 13.458 9.714 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.960 7.998 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.645 9.397 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.524 6.515 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.625 7.758 -2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.735 6.947 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.751 8.346 -1.804 1.00 0.00 H new ATOM 133 N LEU A 12 12.360 7.360 2.115 1.00 0.00 N ATOM 134 CA LEU A 12 11.952 6.590 3.284 1.00 0.00 C ATOM 135 C LEU A 12 12.580 5.195 3.238 1.00 0.00 C ATOM 136 O LEU A 12 12.659 4.580 2.177 1.00 0.00 O ATOM 137 CB LEU A 12 10.412 6.492 3.355 1.00 0.00 C ATOM 138 CG LEU A 12 9.589 7.797 3.229 1.00 0.00 C ATOM 139 CD1 LEU A 12 10.091 8.898 4.172 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.460 8.374 1.811 1.00 0.00 C ATOM 0 H LEU A 12 11.574 7.584 1.505 1.00 0.00 H new ATOM 0 HA LEU A 12 12.302 7.100 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.085 5.815 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.152 6.025 4.305 1.00 0.00 H new ATOM 0 HG LEU A 12 8.590 7.474 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.481 9.792 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.020 8.554 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.130 9.132 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.864 9.286 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.451 8.601 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.973 7.644 1.164 1.00 0.00 H new ATOM 152 N THR A 13 13.004 4.676 4.387 1.00 0.00 N ATOM 153 CA THR A 13 13.410 3.296 4.524 1.00 0.00 C ATOM 154 C THR A 13 12.184 2.392 4.330 1.00 0.00 C ATOM 155 O THR A 13 11.084 2.746 4.759 1.00 0.00 O ATOM 156 CB THR A 13 14.026 3.083 5.918 1.00 0.00 C ATOM 157 OG1 THR A 13 13.301 3.779 6.908 1.00 0.00 O ATOM 158 CG2 THR A 13 15.465 3.589 5.996 1.00 0.00 C ATOM 0 H THR A 13 13.073 5.213 5.252 1.00 0.00 H new ATOM 0 HA THR A 13 14.157 3.045 3.771 1.00 0.00 H new ATOM 0 HB THR A 13 13.995 2.007 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.713 3.625 7.784 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.857 3.417 6.998 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.078 3.055 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.488 4.656 5.775 1.00 0.00 H new ATOM 166 N PRO A 14 12.366 1.179 3.793 1.00 0.00 N ATOM 167 CA PRO A 14 11.307 0.194 3.678 1.00 0.00 C ATOM 168 C PRO A 14 10.828 -0.247 5.058 1.00 0.00 C ATOM 169 O PRO A 14 9.630 -0.429 5.242 1.00 0.00 O ATOM 170 CB PRO A 14 11.869 -0.970 2.858 1.00 0.00 C ATOM 171 CG PRO A 14 13.375 -0.743 2.821 1.00 0.00 C ATOM 172 CD PRO A 14 13.599 0.712 3.215 1.00 0.00 C ATOM 0 HA PRO A 14 10.432 0.608 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.627 -1.928 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.448 -0.983 1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.886 -1.415 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.774 -0.942 1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.418 0.798 3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.870 1.311 2.346 1.00 0.00 H new ATOM 180 N SER A 15 11.720 -0.388 6.045 1.00 0.00 N ATOM 181 CA SER A 15 11.314 -0.855 7.367 1.00 0.00 C ATOM 182 C SER A 15 10.387 0.127 8.106 1.00 0.00 C ATOM 183 O SER A 15 9.743 -0.278 9.079 1.00 0.00 O ATOM 184 CB SER A 15 12.560 -1.146 8.214 1.00 0.00 C ATOM 185 OG SER A 15 13.454 -2.034 7.555 1.00 0.00 O ATOM 0 H SER A 15 12.716 -0.187 5.952 1.00 0.00 H new ATOM 0 HA SER A 15 10.735 -1.766 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.075 -0.211 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.258 -1.577 9.168 1.00 0.00 H new ATOM 0 HG SER A 15 14.235 -2.194 8.124 1.00 0.00 H new ATOM 191 N THR A 16 10.324 1.400 7.703 1.00 0.00 N ATOM 192 CA THR A 16 9.451 2.392 8.314 1.00 0.00 C ATOM 193 C THR A 16 7.986 1.964 8.169 1.00 0.00 C ATOM 194 O THR A 16 7.590 1.370 7.168 1.00 0.00 O ATOM 195 CB THR A 16 9.835 3.770 7.735 1.00 0.00 C ATOM 196 OG1 THR A 16 10.951 4.222 8.485 1.00 0.00 O ATOM 197 CG2 THR A 16 8.781 4.877 7.740 1.00 0.00 C ATOM 0 H THR A 16 10.886 1.769 6.935 1.00 0.00 H new ATOM 0 HA THR A 16 9.581 2.474 9.393 1.00 0.00 H new ATOM 0 HB THR A 16 10.012 3.595 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.772 4.080 7.968 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.202 5.782 7.302 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.917 4.559 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.472 5.080 8.765 1.00 0.00 H new ATOM 205 N TYR A 17 7.184 2.210 9.206 1.00 0.00 N ATOM 206 CA TYR A 17 5.764 1.886 9.190 1.00 0.00 C ATOM 207 C TYR A 17 5.025 2.879 8.297 1.00 0.00 C ATOM 208 O TYR A 17 5.377 4.061 8.260 1.00 0.00 O ATOM 209 CB TYR A 17 5.204 1.960 10.611 1.00 0.00 C ATOM 210 CG TYR A 17 5.751 0.902 11.548 1.00 0.00 C ATOM 211 CD1 TYR A 17 5.383 -0.445 11.370 1.00 0.00 C ATOM 212 CD2 TYR A 17 6.632 1.253 12.588 1.00 0.00 C ATOM 213 CE1 TYR A 17 5.894 -1.442 12.218 1.00 0.00 C ATOM 214 CE2 TYR A 17 7.158 0.260 13.431 1.00 0.00 C ATOM 215 CZ TYR A 17 6.794 -1.092 13.248 1.00 0.00 C ATOM 216 OH TYR A 17 7.349 -2.053 14.033 1.00 0.00 O ATOM 0 H TYR A 17 7.502 2.638 10.075 1.00 0.00 H new ATOM 0 HA TYR A 17 5.628 0.877 8.801 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.422 2.944 11.025 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.119 1.866 10.568 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.703 -0.714 10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.904 2.287 12.738 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.599 -2.472 12.082 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.843 0.531 14.221 1.00 0.00 H new ATOM 0 HH TYR A 17 7.945 -1.635 14.689 1.00 0.00 H new ATOM 226 N ILE A 18 3.931 2.435 7.672 1.00 0.00 N ATOM 227 CA ILE A 18 3.080 3.273 6.819 1.00 0.00 C ATOM 228 C ILE A 18 2.651 4.533 7.576 1.00 0.00 C ATOM 229 O ILE A 18 2.747 5.641 7.060 1.00 0.00 O ATOM 230 CB ILE A 18 1.824 2.506 6.330 1.00 0.00 C ATOM 231 CG1 ILE A 18 2.001 1.002 6.073 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.314 3.171 5.047 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.873 0.717 4.861 1.00 0.00 C ATOM 0 H ILE A 18 3.606 1.471 7.744 1.00 0.00 H new ATOM 0 HA ILE A 18 3.667 3.552 5.944 1.00 0.00 H new ATOM 0 HB ILE A 18 1.115 2.567 7.155 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.444 0.536 6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.023 0.544 5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.430 2.643 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.057 4.210 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.092 3.134 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.965 -0.360 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.418 1.157 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.862 1.149 5.014 1.00 0.00 H new ATOM 245 N ARG A 19 2.252 4.378 8.841 1.00 0.00 N ATOM 246 CA ARG A 19 1.726 5.459 9.665 1.00 0.00 C ATOM 247 C ARG A 19 2.731 6.582 9.887 1.00 0.00 C ATOM 248 O ARG A 19 2.341 7.684 10.268 1.00 0.00 O ATOM 249 CB ARG A 19 1.260 4.887 11.005 1.00 0.00 C ATOM 250 CG ARG A 19 2.432 4.552 11.947 1.00 0.00 C ATOM 251 CD ARG A 19 2.029 3.502 12.967 1.00 0.00 C ATOM 252 NE ARG A 19 0.835 3.885 13.722 1.00 0.00 N ATOM 253 CZ ARG A 19 0.250 3.129 14.650 1.00 0.00 C ATOM 254 NH1 ARG A 19 0.818 2.004 15.068 1.00 0.00 N ATOM 255 NH2 ARG A 19 -0.915 3.531 15.131 1.00 0.00 N ATOM 0 H ARG A 19 2.288 3.481 9.326 1.00 0.00 H new ATOM 0 HA ARG A 19 0.886 5.903 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.601 5.605 11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.673 3.986 10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.280 4.191 11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.760 5.456 12.461 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.845 2.556 12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.855 3.336 13.659 1.00 0.00 H new ATOM 0 HE ARG A 19 0.421 4.796 13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.713 1.709 14.678 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.359 1.435 15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.337 4.395 14.790 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.392 2.977 15.843 1.00 0.00 H new ATOM 269 N ASN A 20 4.026 6.304 9.724 1.00 0.00 N ATOM 270 CA ASN A 20 5.077 7.288 9.927 1.00 0.00 C ATOM 271 C ASN A 20 5.340 8.070 8.639 1.00 0.00 C ATOM 272 O ASN A 20 6.207 8.946 8.617 1.00 0.00 O ATOM 273 CB ASN A 20 6.345 6.619 10.499 1.00 0.00 C ATOM 274 CG ASN A 20 6.210 6.361 11.998 1.00 0.00 C ATOM 275 OD1 ASN A 20 5.770 7.235 12.739 1.00 0.00 O ATOM 276 ND2 ASN A 20 6.601 5.211 12.506 1.00 0.00 N ATOM 0 H ASN A 20 4.371 5.385 9.446 1.00 0.00 H new ATOM 0 HA ASN A 20 4.748 8.015 10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.527 5.677 9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.210 7.256 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.538 5.050 13.511 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.967 4.482 11.894 1.00 0.00 H new ATOM 283 N LEU A 21 4.638 7.778 7.541 1.00 0.00 N ATOM 284 CA LEU A 21 4.623 8.630 6.362 1.00 0.00 C ATOM 285 C LEU A 21 3.756 9.850 6.682 1.00 0.00 C ATOM 286 O LEU A 21 2.633 9.701 7.156 1.00 0.00 O ATOM 287 CB LEU A 21 4.106 7.854 5.136 1.00 0.00 C ATOM 288 CG LEU A 21 4.883 6.565 4.750 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.670 6.237 3.272 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.391 6.734 4.979 1.00 0.00 C ATOM 0 H LEU A 21 4.064 6.940 7.450 1.00 0.00 H new ATOM 0 HA LEU A 21 5.631 8.960 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.066 7.583 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.115 8.527 4.278 1.00 0.00 H new ATOM 0 HG LEU A 21 4.503 5.761 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.221 5.332 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.608 6.081 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.029 7.064 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.907 5.815 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.762 7.558 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.577 6.949 6.031 1.00 0.00 H new ATOM 302 N ASN A 22 4.302 11.055 6.485 1.00 0.00 N ATOM 303 CA ASN A 22 3.646 12.322 6.828 1.00 0.00 C ATOM 304 C ASN A 22 2.306 12.462 6.104 1.00 0.00 C ATOM 305 O ASN A 22 2.173 11.917 5.008 1.00 0.00 O ATOM 306 CB ASN A 22 4.547 13.487 6.376 1.00 0.00 C ATOM 307 CG ASN A 22 4.142 14.809 7.010 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.916 15.847 6.225 1.00 0.00 O flip ATOM 309 ND2 ASN A 22 4.009 14.894 8.225 1.00 0.00 N flip ATOM 0 H ASN A 22 5.228 11.179 6.076 1.00 0.00 H new ATOM 0 HA ASN A 22 3.478 12.339 7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.582 13.264 6.635 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.502 13.578 5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.188 14.082 8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.719 15.777 8.646 1.00 0.00 H new ATOM 316 N VAL A 23 1.395 13.313 6.591 1.00 0.00 N ATOM 317 CA VAL A 23 0.182 13.719 5.878 1.00 0.00 C ATOM 318 C VAL A 23 0.495 14.135 4.433 1.00 0.00 C ATOM 319 O VAL A 23 -0.256 13.815 3.513 1.00 0.00 O ATOM 320 CB VAL A 23 -0.515 14.832 6.692 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.250 16.166 6.709 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.924 15.099 6.177 1.00 0.00 C ATOM 0 H VAL A 23 1.484 13.746 7.510 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.504 12.876 5.792 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.543 14.447 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.304 16.895 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.236 16.015 7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.361 16.535 5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.386 15.887 6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.877 15.412 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.519 14.189 6.256 1.00 0.00 H new ATOM 332 N GLY A 24 1.639 14.792 4.216 1.00 0.00 N ATOM 333 CA GLY A 24 2.081 15.196 2.898 1.00 0.00 C ATOM 334 C GLY A 24 2.375 14.013 1.987 1.00 0.00 C ATOM 335 O GLY A 24 1.926 14.029 0.845 1.00 0.00 O ATOM 0 H GLY A 24 2.282 15.055 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.315 15.821 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.978 15.808 2.992 1.00 0.00 H new ATOM 339 N ILE A 25 3.121 13.005 2.447 1.00 0.00 N ATOM 340 CA ILE A 25 3.386 11.805 1.676 1.00 0.00 C ATOM 341 C ILE A 25 2.087 11.010 1.511 1.00 0.00 C ATOM 342 O ILE A 25 1.855 10.485 0.429 1.00 0.00 O ATOM 343 CB ILE A 25 4.530 11.002 2.333 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.883 11.743 2.223 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.721 9.637 1.645 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.167 12.876 3.208 1.00 0.00 C ATOM 0 H ILE A 25 3.556 13.006 3.369 1.00 0.00 H new ATOM 0 HA ILE A 25 3.729 12.055 0.672 1.00 0.00 H new ATOM 0 HB ILE A 25 4.244 10.877 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.677 11.004 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.958 12.151 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.533 9.096 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.801 9.058 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.964 9.790 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.152 13.296 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.411 13.653 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.141 12.488 4.226 1.00 0.00 H new ATOM 358 N LEU A 26 1.205 10.962 2.514 1.00 0.00 N ATOM 359 CA LEU A 26 -0.117 10.356 2.391 1.00 0.00 C ATOM 360 C LEU A 26 -0.884 10.990 1.226 1.00 0.00 C ATOM 361 O LEU A 26 -1.475 10.278 0.416 1.00 0.00 O ATOM 362 CB LEU A 26 -0.859 10.493 3.736 1.00 0.00 C ATOM 363 CG LEU A 26 -0.557 9.312 4.674 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.841 9.655 6.138 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.428 8.116 4.296 1.00 0.00 C ATOM 0 H LEU A 26 1.393 11.347 3.440 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.029 9.294 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.568 11.426 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.932 10.549 3.556 1.00 0.00 H new ATOM 0 HG LEU A 26 0.502 9.080 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.614 8.792 6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.220 10.498 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.892 9.920 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.210 7.282 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.479 8.389 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.217 7.823 3.268 1.00 0.00 H new ATOM 377 N ARG A 27 -0.813 12.318 1.090 1.00 0.00 N ATOM 378 CA ARG A 27 -1.408 13.047 -0.027 1.00 0.00 C ATOM 379 C ARG A 27 -0.662 12.857 -1.346 1.00 0.00 C ATOM 380 O ARG A 27 -1.248 13.052 -2.408 1.00 0.00 O ATOM 381 CB ARG A 27 -1.498 14.539 0.308 1.00 0.00 C ATOM 382 CG ARG A 27 -2.545 14.821 1.399 1.00 0.00 C ATOM 383 CD ARG A 27 -3.842 15.433 0.857 1.00 0.00 C ATOM 384 NE ARG A 27 -3.585 16.725 0.204 1.00 0.00 N ATOM 385 CZ ARG A 27 -4.484 17.494 -0.415 1.00 0.00 C ATOM 386 NH1 ARG A 27 -5.779 17.230 -0.338 1.00 0.00 N ATOM 387 NH2 ARG A 27 -4.058 18.538 -1.112 1.00 0.00 N ATOM 0 H ARG A 27 -0.335 12.920 1.761 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.405 12.630 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.523 14.896 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.752 15.098 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.780 13.890 1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.115 15.496 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.302 14.747 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.552 15.569 1.673 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.625 17.068 0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.105 16.428 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.451 17.829 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.060 18.741 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.728 19.138 -1.592 1.00 0.00 H new ATOM 401 N LYS A 28 0.633 12.539 -1.334 1.00 0.00 N ATOM 402 CA LYS A 28 1.320 12.154 -2.569 1.00 0.00 C ATOM 403 C LYS A 28 0.783 10.822 -3.041 1.00 0.00 C ATOM 404 O LYS A 28 0.473 10.654 -4.213 1.00 0.00 O ATOM 405 CB LYS A 28 2.822 12.040 -2.404 1.00 0.00 C ATOM 406 CG LYS A 28 3.492 13.398 -2.287 1.00 0.00 C ATOM 407 CD LYS A 28 3.368 14.249 -3.556 1.00 0.00 C ATOM 408 CE LYS A 28 4.336 15.427 -3.476 1.00 0.00 C ATOM 409 NZ LYS A 28 4.039 16.449 -4.502 1.00 0.00 N ATOM 0 H LYS A 28 1.219 12.539 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 28 1.130 12.943 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.044 11.450 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.239 11.503 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.053 13.941 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.548 13.255 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.587 13.644 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.346 14.611 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.279 15.878 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.357 15.068 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.717 17.233 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.118 16.024 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.073 16.809 -4.364 1.00 0.00 H new ATOM 423 N LEU A 29 0.690 9.868 -2.121 1.00 0.00 N ATOM 424 CA LEU A 29 0.137 8.567 -2.421 1.00 0.00 C ATOM 425 C LEU A 29 -1.273 8.725 -2.991 1.00 0.00 C ATOM 426 O LEU A 29 -1.523 8.124 -4.030 1.00 0.00 O ATOM 427 CB LEU A 29 0.237 7.642 -1.196 1.00 0.00 C ATOM 428 CG LEU A 29 1.554 6.836 -1.115 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.568 5.683 -2.126 1.00 0.00 C ATOM 430 CD2 LEU A 29 2.838 7.658 -1.296 1.00 0.00 C ATOM 0 H LEU A 29 0.996 9.981 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 29 0.721 8.072 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.136 8.243 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.601 6.946 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 29 1.562 6.460 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.508 5.137 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.737 5.008 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.469 6.083 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.704 7.001 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.828 8.137 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.894 8.421 -0.519 1.00 0.00 H new ATOM 442 N SER A 30 -2.173 9.538 -2.414 1.00 0.00 N ATOM 443 CA SER A 30 -3.521 9.683 -2.974 1.00 0.00 C ATOM 444 C SER A 30 -3.509 10.148 -4.435 1.00 0.00 C ATOM 445 O SER A 30 -4.378 9.730 -5.200 1.00 0.00 O ATOM 446 CB SER A 30 -4.406 10.582 -2.097 1.00 0.00 C ATOM 447 OG SER A 30 -3.853 11.856 -1.860 1.00 0.00 O ATOM 0 H SER A 30 -1.995 10.093 -1.577 1.00 0.00 H new ATOM 0 HA SER A 30 -3.964 8.687 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.378 10.700 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.580 10.087 -1.142 1.00 0.00 H new ATOM 0 HG SER A 30 -2.960 11.905 -2.261 1.00 0.00 H new ATOM 453 N ASP A 31 -2.535 10.965 -4.843 1.00 0.00 N ATOM 454 CA ASP A 31 -2.423 11.494 -6.202 1.00 0.00 C ATOM 455 C ASP A 31 -2.264 10.361 -7.210 1.00 0.00 C ATOM 456 O ASP A 31 -2.827 10.414 -8.303 1.00 0.00 O ATOM 457 CB ASP A 31 -1.219 12.445 -6.253 1.00 0.00 C ATOM 458 CG ASP A 31 -1.122 13.324 -7.498 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.108 13.476 -8.258 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.052 13.957 -7.642 1.00 0.00 O ATOM 0 H ASP A 31 -1.788 11.283 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.331 12.037 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.252 13.091 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.308 11.852 -6.177 1.00 0.00 H new ATOM 465 N PHE A 32 -1.525 9.314 -6.833 1.00 0.00 N ATOM 466 CA PHE A 32 -1.241 8.184 -7.706 1.00 0.00 C ATOM 467 C PHE A 32 -2.229 7.025 -7.469 1.00 0.00 C ATOM 468 O PHE A 32 -2.501 6.258 -8.395 1.00 0.00 O ATOM 469 CB PHE A 32 0.249 7.790 -7.535 1.00 0.00 C ATOM 470 CG PHE A 32 1.288 8.901 -7.745 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.038 9.998 -8.599 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.538 8.837 -7.087 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.994 11.016 -8.763 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.514 9.834 -7.283 1.00 0.00 C ATOM 475 CZ PHE A 32 3.239 10.928 -8.118 1.00 0.00 C ATOM 0 H PHE A 32 -1.107 9.231 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.392 8.462 -8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.381 7.387 -6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.469 6.983 -8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.101 10.056 -9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.748 8.011 -6.424 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.770 11.869 -9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.472 9.756 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.981 11.699 -8.264 1.00 0.00 H new ATOM 485 N ILE A 33 -2.767 6.879 -6.252 1.00 0.00 N ATOM 486 CA ILE A 33 -3.468 5.684 -5.778 1.00 0.00 C ATOM 487 C ILE A 33 -5.001 5.825 -5.810 1.00 0.00 C ATOM 488 O ILE A 33 -5.682 4.810 -5.928 1.00 0.00 O ATOM 489 CB ILE A 33 -2.924 5.332 -4.370 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.407 5.032 -4.363 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.630 4.174 -3.645 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.983 3.775 -5.131 1.00 0.00 C ATOM 0 H ILE A 33 -2.724 7.616 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.267 4.859 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.141 6.248 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.882 5.889 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.078 4.934 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.166 4.018 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.684 4.418 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.541 3.265 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.098 3.655 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.472 2.902 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.273 3.873 -6.177 1.00 0.00 H new ATOM 504 N ASP A 34 -5.586 7.015 -5.644 1.00 0.00 N ATOM 505 CA ASP A 34 -7.041 7.172 -5.801 1.00 0.00 C ATOM 506 C ASP A 34 -7.498 6.916 -7.247 1.00 0.00 C ATOM 507 O ASP A 34 -8.331 6.024 -7.439 1.00 0.00 O ATOM 508 CB ASP A 34 -7.570 8.465 -5.162 1.00 0.00 C ATOM 509 CG ASP A 34 -8.529 9.358 -5.959 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.466 8.880 -6.634 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.350 10.593 -5.809 1.00 0.00 O ATOM 0 H ASP A 34 -5.088 7.872 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.522 6.384 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.073 8.190 -4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.707 9.072 -4.889 1.00 0.00 H new ATOM 516 N PRO A 35 -6.943 7.616 -8.253 1.00 0.00 N ATOM 517 CA PRO A 35 -7.270 7.329 -9.642 1.00 0.00 C ATOM 518 C PRO A 35 -6.769 5.932 -10.024 1.00 0.00 C ATOM 519 O PRO A 35 -5.911 5.352 -9.350 1.00 0.00 O ATOM 520 CB PRO A 35 -6.608 8.434 -10.464 1.00 0.00 C ATOM 521 CG PRO A 35 -5.487 8.961 -9.577 1.00 0.00 C ATOM 522 CD PRO A 35 -5.942 8.667 -8.151 1.00 0.00 C ATOM 0 HA PRO A 35 -8.345 7.319 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.219 8.047 -11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.319 9.222 -10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.542 8.466 -9.800 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.332 10.029 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.103 8.347 -7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.360 9.559 -7.684 1.00 0.00 H new ATOM 530 N GLN A 36 -7.283 5.393 -11.131 1.00 0.00 N ATOM 531 CA GLN A 36 -6.997 4.047 -11.628 1.00 0.00 C ATOM 532 C GLN A 36 -7.261 2.946 -10.560 1.00 0.00 C ATOM 533 O GLN A 36 -6.735 1.841 -10.679 1.00 0.00 O ATOM 534 CB GLN A 36 -5.579 4.015 -12.253 1.00 0.00 C ATOM 535 CG GLN A 36 -5.361 4.955 -13.456 1.00 0.00 C ATOM 536 CD GLN A 36 -3.915 4.897 -13.972 1.00 0.00 C ATOM 537 OE1 GLN A 36 -3.388 3.836 -14.302 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.209 6.010 -14.034 1.00 0.00 N ATOM 0 H GLN A 36 -7.935 5.902 -11.728 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.700 3.802 -12.424 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.854 4.270 -11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.363 2.994 -12.568 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.045 4.681 -14.260 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.603 5.978 -13.166 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.632 6.898 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.240 5.982 -14.352 1.00 0.00 H new ATOM 547 N GLU A 37 -8.095 3.209 -9.539 1.00 0.00 N ATOM 548 CA GLU A 37 -8.481 2.303 -8.440 1.00 0.00 C ATOM 549 C GLU A 37 -7.287 1.706 -7.676 1.00 0.00 C ATOM 550 O GLU A 37 -7.356 0.617 -7.107 1.00 0.00 O ATOM 551 CB GLU A 37 -9.498 1.258 -8.930 1.00 0.00 C ATOM 552 CG GLU A 37 -10.880 1.898 -9.042 1.00 0.00 C ATOM 553 CD GLU A 37 -11.917 0.972 -9.695 1.00 0.00 C ATOM 554 OE1 GLU A 37 -11.685 0.460 -10.814 1.00 0.00 O ATOM 555 OE2 GLU A 37 -13.007 0.744 -9.114 1.00 0.00 O ATOM 0 H GLU A 37 -8.548 4.119 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.983 2.908 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.190 0.863 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.531 0.416 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.226 2.179 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.803 2.817 -9.624 1.00 0.00 H new ATOM 562 N GLY A 38 -6.168 2.419 -7.626 1.00 0.00 N ATOM 563 CA GLY A 38 -4.956 1.972 -6.939 1.00 0.00 C ATOM 564 C GLY A 38 -5.167 1.618 -5.464 1.00 0.00 C ATOM 565 O GLY A 38 -4.544 0.678 -4.969 1.00 0.00 O ATOM 0 H GLY A 38 -6.073 3.335 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.558 1.100 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.202 2.756 -7.009 1.00 0.00 H new ATOM 569 N TRP A 39 -6.055 2.319 -4.750 1.00 0.00 N ATOM 570 CA TRP A 39 -6.406 2.049 -3.371 1.00 0.00 C ATOM 571 C TRP A 39 -7.050 0.676 -3.268 1.00 0.00 C ATOM 572 O TRP A 39 -6.594 -0.154 -2.490 1.00 0.00 O ATOM 573 CB TRP A 39 -7.349 3.131 -2.834 1.00 0.00 C ATOM 574 CG TRP A 39 -8.680 3.298 -3.516 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.931 3.985 -4.655 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.960 2.717 -3.121 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.278 3.919 -4.955 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.956 3.123 -4.057 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.346 1.796 -2.124 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.276 2.660 -3.983 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.666 1.317 -2.055 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.636 1.776 -2.958 1.00 0.00 C ATOM 0 H TRP A 39 -6.560 3.115 -5.139 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.501 2.061 -2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.535 2.921 -1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.826 4.086 -2.881 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.189 4.507 -5.242 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.715 4.399 -5.742 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.617 1.454 -1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -13.008 2.981 -4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.935 0.591 -1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.661 1.448 -2.863 1.00 0.00 H new ATOM 593 N LYS A 40 -8.060 0.419 -4.101 1.00 0.00 N ATOM 594 CA LYS A 40 -8.743 -0.859 -4.202 1.00 0.00 C ATOM 595 C LYS A 40 -7.728 -1.962 -4.466 1.00 0.00 C ATOM 596 O LYS A 40 -7.825 -3.030 -3.864 1.00 0.00 O ATOM 597 CB LYS A 40 -9.760 -0.798 -5.350 1.00 0.00 C ATOM 598 CG LYS A 40 -11.175 -0.393 -4.955 1.00 0.00 C ATOM 599 CD LYS A 40 -12.209 -1.234 -5.693 1.00 0.00 C ATOM 600 CE LYS A 40 -13.402 -0.429 -6.197 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.010 -1.098 -7.364 1.00 0.00 N ATOM 0 H LYS A 40 -8.432 1.121 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.263 -1.073 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.395 -0.094 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.801 -1.777 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.304 -0.512 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.331 0.662 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.729 -1.725 -6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.567 -2.021 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.141 -0.324 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.082 0.577 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.825 -0.538 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.597 -2.046 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.037 -1.182 -7.220 1.00 0.00 H new ATOM 615 N LYS A 41 -6.761 -1.704 -5.351 1.00 0.00 N ATOM 616 CA LYS A 41 -5.789 -2.686 -5.793 1.00 0.00 C ATOM 617 C LYS A 41 -4.859 -2.995 -4.634 1.00 0.00 C ATOM 618 O LYS A 41 -4.651 -4.155 -4.307 1.00 0.00 O ATOM 619 CB LYS A 41 -5.061 -2.180 -7.035 1.00 0.00 C ATOM 620 CG LYS A 41 -5.989 -2.148 -8.258 1.00 0.00 C ATOM 621 CD LYS A 41 -5.467 -1.153 -9.307 1.00 0.00 C ATOM 622 CE LYS A 41 -4.454 -1.799 -10.259 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.071 -0.892 -11.362 1.00 0.00 N ATOM 0 H LYS A 41 -6.637 -0.788 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.274 -3.617 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.671 -1.180 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.205 -2.822 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.057 -3.144 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.996 -1.866 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.305 -0.760 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.001 -0.306 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.563 -2.085 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.878 -2.714 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.385 -1.369 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.916 -0.638 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.642 -0.030 -10.969 1.00 0.00 H new ATOM 637 N LEU A 42 -4.312 -1.978 -3.965 1.00 0.00 N ATOM 638 CA LEU A 42 -3.465 -2.139 -2.797 1.00 0.00 C ATOM 639 C LEU A 42 -4.215 -2.881 -1.689 1.00 0.00 C ATOM 640 O LEU A 42 -3.699 -3.852 -1.148 1.00 0.00 O ATOM 641 CB LEU A 42 -3.014 -0.730 -2.386 1.00 0.00 C ATOM 642 CG LEU A 42 -1.881 -0.619 -1.356 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.397 -0.274 0.039 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.890 -1.784 -1.328 1.00 0.00 C ATOM 0 H LEU A 42 -4.452 -1.003 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.588 -2.750 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.702 -0.201 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.881 -0.202 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.289 0.222 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.558 -0.207 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.919 0.682 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.083 -1.051 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.134 -1.600 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.421 -2.708 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.408 -1.875 -2.301 1.00 0.00 H new ATOM 656 N ALA A 43 -5.452 -2.474 -1.393 1.00 0.00 N ATOM 657 CA ALA A 43 -6.300 -3.088 -0.385 1.00 0.00 C ATOM 658 C ALA A 43 -6.455 -4.583 -0.624 1.00 0.00 C ATOM 659 O ALA A 43 -6.159 -5.377 0.267 1.00 0.00 O ATOM 660 CB ALA A 43 -7.661 -2.401 -0.376 1.00 0.00 C ATOM 0 H ALA A 43 -5.897 -1.687 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.826 -2.962 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.296 -2.862 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.533 -1.343 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.128 -2.506 -1.355 1.00 0.00 H new ATOM 666 N VAL A 44 -6.927 -4.977 -1.808 1.00 0.00 N ATOM 667 CA VAL A 44 -7.152 -6.354 -2.144 1.00 0.00 C ATOM 668 C VAL A 44 -5.830 -7.129 -2.181 1.00 0.00 C ATOM 669 O VAL A 44 -5.778 -8.280 -1.745 1.00 0.00 O ATOM 670 CB VAL A 44 -7.979 -6.364 -3.447 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.230 -6.137 -4.763 1.00 0.00 C ATOM 672 CG2 VAL A 44 -8.732 -7.665 -3.479 1.00 0.00 C ATOM 0 H VAL A 44 -7.162 -4.328 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.728 -6.887 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.626 -5.488 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.935 -6.170 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.742 -5.163 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.479 -6.916 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.333 -7.715 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.025 -8.495 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.384 -7.729 -2.608 1.00 0.00 H new ATOM 682 N ALA A 45 -4.740 -6.484 -2.610 1.00 0.00 N ATOM 683 CA ALA A 45 -3.428 -7.105 -2.712 1.00 0.00 C ATOM 684 C ALA A 45 -2.906 -7.499 -1.332 1.00 0.00 C ATOM 685 O ALA A 45 -2.208 -8.500 -1.203 1.00 0.00 O ATOM 686 CB ALA A 45 -2.446 -6.134 -3.379 1.00 0.00 C ATOM 0 H ALA A 45 -4.751 -5.506 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.518 -8.007 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.465 -6.603 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.805 -5.882 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.370 -5.226 -2.781 1.00 0.00 H new ATOM 692 N ILE A 46 -3.226 -6.725 -0.294 1.00 0.00 N ATOM 693 CA ILE A 46 -2.839 -7.022 1.076 1.00 0.00 C ATOM 694 C ILE A 46 -3.654 -8.227 1.555 1.00 0.00 C ATOM 695 O ILE A 46 -4.842 -8.109 1.876 1.00 0.00 O ATOM 696 CB ILE A 46 -3.033 -5.780 1.968 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.097 -4.633 1.536 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.728 -6.116 3.435 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.642 -3.254 1.904 1.00 0.00 C ATOM 0 H ILE A 46 -3.767 -5.866 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.781 -7.278 1.134 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.071 -5.467 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.122 -4.770 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.943 -4.682 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.870 -5.227 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.400 -6.904 3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.696 -6.456 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.941 -2.486 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.604 -3.101 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.770 -3.190 2.985 1.00 0.00 H new ATOM 711 N LYS A 47 -3.022 -9.395 1.606 1.00 0.00 N ATOM 712 CA LYS A 47 -3.526 -10.538 2.350 1.00 0.00 C ATOM 713 C LYS A 47 -2.935 -10.514 3.765 1.00 0.00 C ATOM 714 O LYS A 47 -2.120 -9.667 4.143 1.00 0.00 O ATOM 715 CB LYS A 47 -3.246 -11.842 1.569 1.00 0.00 C ATOM 716 CG LYS A 47 -4.442 -12.317 0.716 1.00 0.00 C ATOM 717 CD LYS A 47 -5.027 -11.315 -0.290 1.00 0.00 C ATOM 718 CE LYS A 47 -4.032 -10.948 -1.388 1.00 0.00 C ATOM 719 NZ LYS A 47 -3.785 -12.049 -2.339 1.00 0.00 N ATOM 0 H LYS A 47 -2.139 -9.574 1.128 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.609 -10.488 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.384 -11.689 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.978 -12.628 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.133 -13.206 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.240 -12.622 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.923 -11.739 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.333 -10.411 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.406 -10.082 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.088 -10.653 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.102 -11.739 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.401 -12.869 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.678 -12.316 -2.801 1.00 0.00 H new ATOM 733 N LYS A 48 -3.474 -11.389 4.599 1.00 0.00 N ATOM 734 CA LYS A 48 -3.122 -11.669 5.978 1.00 0.00 C ATOM 735 C LYS A 48 -1.822 -12.463 6.035 1.00 0.00 C ATOM 736 O LYS A 48 -1.475 -13.134 5.062 1.00 0.00 O ATOM 737 CB LYS A 48 -4.242 -12.549 6.556 1.00 0.00 C ATOM 738 CG LYS A 48 -5.532 -11.813 6.907 1.00 0.00 C ATOM 739 CD LYS A 48 -5.371 -11.127 8.255 1.00 0.00 C ATOM 740 CE LYS A 48 -6.684 -10.451 8.613 1.00 0.00 C ATOM 741 NZ LYS A 48 -6.615 -9.764 9.912 1.00 0.00 N ATOM 0 H LYS A 48 -4.247 -11.980 4.293 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.000 -10.739 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.475 -13.333 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.868 -13.042 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.765 -11.077 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.366 -12.514 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.099 -11.854 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.566 -10.393 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.945 -9.732 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.480 -11.196 8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.531 -9.317 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.391 -10.453 10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.873 -9.035 9.880 1.00 0.00 H new ATOM 755 N PRO A 49 -1.204 -12.556 7.225 1.00 0.00 N ATOM 756 CA PRO A 49 -0.073 -13.436 7.459 1.00 0.00 C ATOM 757 C PRO A 49 -0.509 -14.909 7.552 1.00 0.00 C ATOM 758 O PRO A 49 0.343 -15.781 7.687 1.00 0.00 O ATOM 759 CB PRO A 49 0.582 -12.904 8.746 1.00 0.00 C ATOM 760 CG PRO A 49 -0.427 -11.950 9.395 1.00 0.00 C ATOM 761 CD PRO A 49 -1.640 -11.964 8.476 1.00 0.00 C ATOM 0 HA PRO A 49 0.640 -13.430 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.829 -13.723 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.514 -12.386 8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.691 -12.280 10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.015 -10.945 9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.453 -12.542 8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.017 -10.954 8.316 1.00 0.00 H new ATOM 769 N SER A 50 -1.816 -15.182 7.496 1.00 0.00 N ATOM 770 CA SER A 50 -2.444 -16.493 7.455 1.00 0.00 C ATOM 771 C SER A 50 -3.298 -16.641 6.181 1.00 0.00 C ATOM 772 O SER A 50 -4.375 -17.236 6.220 1.00 0.00 O ATOM 773 CB SER A 50 -3.234 -16.729 8.744 1.00 0.00 C ATOM 774 OG SER A 50 -2.408 -16.582 9.894 1.00 0.00 O ATOM 0 H SER A 50 -2.508 -14.433 7.477 1.00 0.00 H new ATOM 0 HA SER A 50 -1.682 -17.270 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.064 -16.025 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.666 -17.730 8.730 1.00 0.00 H new ATOM 0 HG SER A 50 -2.941 -16.737 10.702 1.00 0.00 H new ATOM 780 N GLY A 51 -2.854 -16.024 5.084 1.00 0.00 N ATOM 781 CA GLY A 51 -3.326 -16.242 3.713 1.00 0.00 C ATOM 782 C GLY A 51 -4.622 -15.517 3.345 1.00 0.00 C ATOM 783 O GLY A 51 -4.854 -15.258 2.166 1.00 0.00 O ATOM 0 H GLY A 51 -2.116 -15.321 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.544 -15.927 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.472 -17.312 3.562 1.00 0.00 H new ATOM 787 N ASP A 52 -5.444 -15.199 4.337 1.00 0.00 N ATOM 788 CA ASP A 52 -6.781 -14.646 4.179 1.00 0.00 C ATOM 789 C ASP A 52 -6.782 -13.204 3.685 1.00 0.00 C ATOM 790 O ASP A 52 -5.774 -12.510 3.772 1.00 0.00 O ATOM 791 CB ASP A 52 -7.509 -14.726 5.530 1.00 0.00 C ATOM 792 CG ASP A 52 -8.686 -15.690 5.450 1.00 0.00 C ATOM 793 OD1 ASP A 52 -8.502 -16.790 4.876 1.00 0.00 O ATOM 794 OD2 ASP A 52 -9.770 -15.308 5.943 1.00 0.00 O ATOM 0 H ASP A 52 -5.185 -15.325 5.315 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.291 -15.236 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.815 -15.054 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.862 -13.736 5.818 1.00 0.00 H new ATOM 799 N ASP A 53 -7.921 -12.686 3.230 1.00 0.00 N ATOM 800 CA ASP A 53 -8.027 -11.283 2.833 1.00 0.00 C ATOM 801 C ASP A 53 -7.921 -10.399 4.078 1.00 0.00 C ATOM 802 O ASP A 53 -8.582 -10.663 5.090 1.00 0.00 O ATOM 803 CB ASP A 53 -9.366 -11.010 2.144 1.00 0.00 C ATOM 804 CG ASP A 53 -9.531 -11.785 0.843 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.788 -11.523 -0.131 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.390 -12.696 0.808 1.00 0.00 O ATOM 0 H ASP A 53 -8.785 -13.218 3.127 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.221 -11.059 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.178 -11.271 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.453 -9.943 1.939 1.00 0.00 H new ATOM 811 N ARG A 54 -7.111 -9.333 4.033 1.00 0.00 N ATOM 812 CA ARG A 54 -7.268 -8.259 5.013 1.00 0.00 C ATOM 813 C ARG A 54 -8.481 -7.387 4.702 1.00 0.00 C ATOM 814 O ARG A 54 -9.164 -7.000 5.651 1.00 0.00 O ATOM 815 CB ARG A 54 -6.020 -7.377 5.173 1.00 0.00 C ATOM 816 CG ARG A 54 -4.880 -8.150 5.842 1.00 0.00 C ATOM 817 CD ARG A 54 -3.919 -7.244 6.611 1.00 0.00 C ATOM 818 NE ARG A 54 -2.974 -8.009 7.441 1.00 0.00 N ATOM 819 CZ ARG A 54 -1.643 -8.063 7.291 1.00 0.00 C ATOM 820 NH1 ARG A 54 -1.066 -7.808 6.119 1.00 0.00 N ATOM 821 NH2 ARG A 54 -0.928 -8.357 8.366 1.00 0.00 N ATOM 0 H ARG A 54 -6.365 -9.195 3.351 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.422 -8.767 5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.696 -7.019 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.266 -6.498 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.300 -8.889 6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.324 -8.699 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.362 -6.627 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.491 -6.567 7.246 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.372 -8.552 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.639 -7.565 5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.051 -7.855 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.394 -8.530 9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.089 -8.410 8.303 1.00 0.00 H new ATOM 835 N TYR A 55 -8.773 -7.049 3.440 1.00 0.00 N ATOM 836 CA TYR A 55 -9.697 -5.957 3.155 1.00 0.00 C ATOM 837 C TYR A 55 -10.665 -6.303 2.021 1.00 0.00 C ATOM 838 O TYR A 55 -10.751 -5.576 1.032 1.00 0.00 O ATOM 839 CB TYR A 55 -8.925 -4.648 2.932 1.00 0.00 C ATOM 840 CG TYR A 55 -7.900 -4.275 3.989 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.313 -4.049 5.316 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.544 -4.122 3.641 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.369 -3.726 6.302 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.605 -3.755 4.619 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.008 -3.585 5.962 1.00 0.00 C ATOM 846 OH TYR A 55 -5.095 -3.309 6.931 1.00 0.00 O ATOM 0 H TYR A 55 -8.388 -7.510 2.616 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.333 -5.802 4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.415 -4.713 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.647 -3.835 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.359 -4.124 5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.226 -4.287 2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.686 -3.585 7.325 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.572 -3.602 4.343 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.526 -4.093 7.077 1.00 0.00 H new ATOM 856 N ASN A 56 -11.477 -7.351 2.233 1.00 0.00 N ATOM 857 CA ASN A 56 -12.508 -7.819 1.295 1.00 0.00 C ATOM 858 C ASN A 56 -13.550 -6.753 0.955 1.00 0.00 C ATOM 859 O ASN A 56 -13.617 -5.701 1.588 1.00 0.00 O ATOM 860 CB ASN A 56 -13.271 -9.028 1.874 1.00 0.00 C ATOM 861 CG ASN A 56 -12.860 -10.318 1.192 1.00 0.00 C ATOM 862 OD1 ASN A 56 -12.809 -10.375 -0.032 1.00 0.00 O ATOM 863 ND2 ASN A 56 -12.570 -11.362 1.938 1.00 0.00 N ATOM 0 H ASN A 56 -11.433 -7.911 3.085 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.964 -8.084 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.079 -9.103 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.343 -8.876 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.296 -12.241 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.619 -11.292 2.954 1.00 0.00 H new ATOM 870 N GLN A 57 -14.421 -7.050 -0.015 1.00 0.00 N ATOM 871 CA GLN A 57 -15.318 -6.072 -0.614 1.00 0.00 C ATOM 872 C GLN A 57 -16.305 -5.411 0.357 1.00 0.00 C ATOM 873 O GLN A 57 -16.634 -4.235 0.201 1.00 0.00 O ATOM 874 CB GLN A 57 -16.025 -6.677 -1.825 1.00 0.00 C ATOM 875 CG GLN A 57 -16.623 -5.556 -2.691 1.00 0.00 C ATOM 876 CD GLN A 57 -16.649 -5.924 -4.171 1.00 0.00 C ATOM 877 OE1 GLN A 57 -15.637 -6.336 -4.732 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.794 -5.821 -4.822 1.00 0.00 N ATOM 0 H GLN A 57 -14.519 -7.987 -0.406 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.684 -5.248 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.321 -7.267 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.813 -7.355 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.637 -5.340 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.041 -4.644 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.625 -5.477 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.847 -6.086 -5.806 1.00 0.00 H new ATOM 887 N PHE A 58 -16.687 -6.124 1.415 1.00 0.00 N ATOM 888 CA PHE A 58 -17.456 -5.585 2.538 1.00 0.00 C ATOM 889 C PHE A 58 -16.796 -4.315 3.098 1.00 0.00 C ATOM 890 O PHE A 58 -17.479 -3.335 3.400 1.00 0.00 O ATOM 891 CB PHE A 58 -17.569 -6.682 3.610 1.00 0.00 C ATOM 892 CG PHE A 58 -18.339 -6.291 4.858 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.729 -6.093 4.791 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.682 -6.179 6.100 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.451 -5.799 5.961 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.407 -5.882 7.269 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.798 -5.700 7.201 1.00 0.00 C ATOM 0 H PHE A 58 -16.466 -7.114 1.519 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.453 -5.296 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.049 -7.554 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.564 -6.986 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.241 -6.167 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.613 -6.322 6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.519 -5.648 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.895 -5.794 8.216 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.362 -5.485 8.097 1.00 0.00 H new ATOM 907 N HIS A 59 -15.463 -4.327 3.190 1.00 0.00 N ATOM 908 CA HIS A 59 -14.632 -3.226 3.647 1.00 0.00 C ATOM 909 C HIS A 59 -14.425 -2.235 2.505 1.00 0.00 C ATOM 910 O HIS A 59 -14.472 -1.035 2.735 1.00 0.00 O ATOM 911 CB HIS A 59 -13.276 -3.767 4.141 1.00 0.00 C ATOM 912 CG HIS A 59 -13.400 -4.997 5.015 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.800 -6.201 4.753 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.185 -5.167 6.128 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.170 -7.065 5.703 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.052 -6.502 6.540 1.00 0.00 N ATOM 0 H HIS A 59 -14.914 -5.148 2.934 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.126 -2.715 4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.653 -4.005 3.279 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.763 -2.984 4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.794 -4.411 6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.807 -8.079 5.785 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.531 -6.953 7.320 1.00 0.00 H new ATOM 924 N ILE A 60 -14.236 -2.703 1.265 1.00 0.00 N ATOM 925 CA ILE A 60 -14.047 -1.831 0.101 1.00 0.00 C ATOM 926 C ILE A 60 -15.193 -0.833 0.012 1.00 0.00 C ATOM 927 O ILE A 60 -14.926 0.350 -0.120 1.00 0.00 O ATOM 928 CB ILE A 60 -13.906 -2.659 -1.190 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.632 -3.534 -1.168 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.980 -1.834 -2.480 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.336 -2.754 -1.421 1.00 0.00 C ATOM 0 H ILE A 60 -14.210 -3.698 1.041 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.119 -1.272 0.222 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.780 -3.310 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.562 -4.031 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.727 -4.315 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.872 -2.494 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.942 -1.325 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.178 -1.096 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.488 -3.438 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.383 -2.279 -2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.215 -1.990 -0.653 1.00 0.00 H new ATOM 943 N ARG A 61 -16.447 -1.267 0.147 1.00 0.00 N ATOM 944 CA ARG A 61 -17.597 -0.363 0.152 1.00 0.00 C ATOM 945 C ARG A 61 -17.474 0.715 1.225 1.00 0.00 C ATOM 946 O ARG A 61 -17.853 1.864 0.993 1.00 0.00 O ATOM 947 CB ARG A 61 -18.867 -1.190 0.360 1.00 0.00 C ATOM 948 CG ARG A 61 -19.290 -1.900 -0.933 1.00 0.00 C ATOM 949 CD ARG A 61 -20.172 -0.978 -1.788 1.00 0.00 C ATOM 950 NE ARG A 61 -21.589 -1.080 -1.398 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.624 -0.649 -2.130 1.00 0.00 C ATOM 952 NH1 ARG A 61 -22.444 0.220 -3.119 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.837 -1.119 -1.871 1.00 0.00 N ATOM 0 H ARG A 61 -16.693 -2.251 0.255 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.639 0.155 -0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.698 -1.928 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.674 -0.541 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.406 -2.195 -1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.834 -2.813 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.836 0.053 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -20.063 -1.240 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.798 -1.513 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.508 0.567 -3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.242 0.540 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.971 -1.799 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.635 -0.800 -2.420 1.00 0.00 H new ATOM 967 N ARG A 62 -16.961 0.357 2.400 1.00 0.00 N ATOM 968 CA ARG A 62 -16.708 1.253 3.509 1.00 0.00 C ATOM 969 C ARG A 62 -15.583 2.238 3.198 1.00 0.00 C ATOM 970 O ARG A 62 -15.599 3.331 3.759 1.00 0.00 O ATOM 971 CB ARG A 62 -16.410 0.371 4.727 1.00 0.00 C ATOM 972 CG ARG A 62 -16.655 1.073 6.058 1.00 0.00 C ATOM 973 CD ARG A 62 -17.040 0.005 7.086 1.00 0.00 C ATOM 974 NE ARG A 62 -16.540 0.274 8.443 1.00 0.00 N ATOM 975 CZ ARG A 62 -16.274 -0.698 9.326 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.794 -1.912 9.154 1.00 0.00 N ATOM 977 NH2 ARG A 62 -15.505 -0.454 10.385 1.00 0.00 N ATOM 0 H ARG A 62 -16.702 -0.608 2.607 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.575 1.883 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.029 -0.525 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.371 0.043 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.761 1.607 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.450 1.813 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.126 -0.077 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.657 -0.960 6.753 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.389 1.243 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.394 -2.101 8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.592 -2.653 9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.114 0.477 10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.306 -1.198 11.053 1.00 0.00 H new ATOM 991 N PHE A 63 -14.649 1.907 2.299 1.00 0.00 N ATOM 992 CA PHE A 63 -13.737 2.886 1.728 1.00 0.00 C ATOM 993 C PHE A 63 -14.412 3.667 0.605 1.00 0.00 C ATOM 994 O PHE A 63 -14.270 4.873 0.637 1.00 0.00 O ATOM 995 CB PHE A 63 -12.439 2.215 1.268 1.00 0.00 C ATOM 996 CG PHE A 63 -11.527 1.796 2.406 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.650 2.728 2.987 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.531 0.471 2.881 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.781 2.328 4.012 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.628 0.063 3.879 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.730 0.991 4.426 1.00 0.00 C ATOM 0 H PHE A 63 -14.510 0.958 1.953 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.470 3.606 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.687 1.337 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.898 2.901 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.645 3.752 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -12.235 -0.240 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.144 3.059 4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.626 -0.961 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.004 0.677 5.161 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.159 3.089 -0.342 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.862 3.801 -1.420 1.00 0.00 C ATOM 1013 C GLU A 64 -16.665 4.963 -0.829 1.00 0.00 C ATOM 1014 O GLU A 64 -16.636 6.062 -1.363 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.840 2.888 -2.191 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.289 1.730 -3.034 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.401 0.796 -3.543 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.481 1.269 -3.955 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -17.209 -0.445 -3.559 1.00 0.00 O ATOM 0 H GLU A 64 -15.297 2.079 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.100 4.156 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.531 2.462 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.427 3.524 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.739 2.133 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.580 1.155 -2.438 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.337 4.772 0.311 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.104 5.821 0.984 1.00 0.00 C ATOM 1028 C ALA A 65 -17.310 7.117 1.246 1.00 0.00 C ATOM 1029 O ALA A 65 -17.926 8.151 1.498 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.648 5.262 2.301 1.00 0.00 C ATOM 0 H ALA A 65 -17.363 3.875 0.796 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.912 6.107 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.222 6.033 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.292 4.407 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.818 4.947 2.933 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.974 7.057 1.205 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.005 8.138 1.342 1.00 0.00 C ATOM 1038 C LEU A 66 -14.891 8.937 0.033 1.00 0.00 C ATOM 1039 O LEU A 66 -15.178 10.130 0.051 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.637 7.559 1.758 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.648 6.663 3.008 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.273 6.009 3.111 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -13.944 7.470 4.275 1.00 0.00 C ATOM 0 H LEU A 66 -15.505 6.163 1.061 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.345 8.824 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.237 6.983 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.950 8.387 1.932 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.434 5.914 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.242 5.364 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.085 5.415 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.509 6.781 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.944 6.805 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.179 8.235 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.920 7.946 4.184 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.525 8.327 -1.108 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.412 9.010 -2.398 1.00 0.00 C ATOM 1057 C LEU A 67 -15.743 9.631 -2.796 1.00 0.00 C ATOM 1058 O LEU A 67 -15.778 10.709 -3.377 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.821 8.072 -3.475 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.695 6.927 -4.032 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -15.555 7.393 -5.205 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.884 5.733 -4.551 1.00 0.00 C ATOM 0 H LEU A 67 -14.298 7.334 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.706 9.835 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.514 8.691 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.917 7.625 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.302 6.621 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.156 6.560 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.213 8.198 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.911 7.754 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.563 4.968 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.227 6.062 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.285 5.320 -3.740 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.844 8.997 -2.397 1.00 0.00 N ATOM 1075 CA GLN A 68 -18.203 9.450 -2.651 1.00 0.00 C ATOM 1076 C GLN A 68 -18.532 10.750 -1.900 1.00 0.00 C ATOM 1077 O GLN A 68 -19.606 11.315 -2.122 1.00 0.00 O ATOM 1078 CB GLN A 68 -19.164 8.330 -2.223 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.902 6.984 -2.920 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.746 6.780 -4.157 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -19.484 7.364 -5.208 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -20.742 5.918 -4.080 1.00 0.00 N ATOM 0 H GLN A 68 -16.809 8.124 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.310 9.669 -3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.087 8.191 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.187 8.643 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.848 6.922 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.097 6.174 -2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.941 5.446 -3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.313 5.724 -4.902 1.00 0.00 H new ATOM 1091 N THR A 69 -17.680 11.187 -0.969 1.00 0.00 N ATOM 1092 CA THR A 69 -17.745 12.443 -0.228 1.00 0.00 C ATOM 1093 C THR A 69 -16.375 13.162 -0.282 1.00 0.00 C ATOM 1094 O THR A 69 -16.109 14.039 0.539 1.00 0.00 O ATOM 1095 CB THR A 69 -18.315 12.139 1.176 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.721 13.279 1.905 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.381 11.310 2.055 1.00 0.00 C ATOM 0 H THR A 69 -16.870 10.630 -0.696 1.00 0.00 H new ATOM 0 HA THR A 69 -18.428 13.166 -0.674 1.00 0.00 H new ATOM 0 HB THR A 69 -19.201 11.550 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.074 14.002 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.850 11.138 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.182 10.353 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.443 11.847 2.197 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.498 12.787 -1.223 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.211 13.412 -1.491 1.00 0.00 C ATOM 1107 C GLY A 70 -13.051 12.963 -0.592 1.00 0.00 C ATOM 1108 O GLY A 70 -11.899 13.206 -0.963 1.00 0.00 O ATOM 0 H GLY A 70 -15.683 12.000 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.940 13.213 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.325 14.492 -1.393 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.279 12.303 0.551 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.189 11.849 1.414 1.00 0.00 C ATOM 1114 C LYS A 71 -11.347 10.791 0.706 1.00 0.00 C ATOM 1115 O LYS A 71 -11.884 9.886 0.071 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.732 11.280 2.730 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.407 12.355 3.595 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.386 11.982 5.082 1.00 0.00 C ATOM 1119 CE LYS A 71 -11.951 12.051 5.628 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.844 12.885 6.846 1.00 0.00 N ATOM 0 H LYS A 71 -14.211 12.073 0.897 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.562 12.712 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.449 10.489 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.916 10.825 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.899 13.309 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.438 12.490 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.029 12.660 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.786 10.977 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.602 11.043 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.292 12.453 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.857 12.898 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.150 13.855 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.450 12.489 7.592 1.00 0.00 H new ATOM 1134 N SER A 72 -10.032 10.840 0.899 1.00 0.00 N ATOM 1135 CA SER A 72 -9.095 9.876 0.356 1.00 0.00 C ATOM 1136 C SER A 72 -9.272 8.497 0.992 1.00 0.00 C ATOM 1137 O SER A 72 -8.949 8.350 2.180 1.00 0.00 O ATOM 1138 CB SER A 72 -7.669 10.374 0.615 1.00 0.00 C ATOM 1139 OG SER A 72 -7.378 11.447 -0.248 1.00 0.00 O ATOM 0 H SER A 72 -9.583 11.571 1.451 1.00 0.00 H new ATOM 0 HA SER A 72 -9.283 9.778 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.567 10.691 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.956 9.564 0.458 1.00 0.00 H new ATOM 0 HG SER A 72 -6.466 11.765 -0.079 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.665 7.466 0.217 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.501 6.087 0.647 1.00 0.00 C ATOM 1147 C PRO A 73 -8.031 5.736 0.787 1.00 0.00 C ATOM 1148 O PRO A 73 -7.716 4.962 1.679 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.133 5.223 -0.444 1.00 0.00 C ATOM 1150 CG PRO A 73 -9.980 6.092 -1.697 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.131 7.508 -1.167 1.00 0.00 C ATOM 0 HA PRO A 73 -9.969 5.926 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.621 4.267 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.179 5.002 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.011 5.943 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.740 5.859 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.543 8.211 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.169 7.837 -1.221 1.00 0.00 H new ATOM 1159 N THR A 74 -7.133 6.290 -0.038 1.00 0.00 N ATOM 1160 CA THR A 74 -5.712 6.005 0.070 1.00 0.00 C ATOM 1161 C THR A 74 -5.241 6.328 1.479 1.00 0.00 C ATOM 1162 O THR A 74 -4.602 5.488 2.104 1.00 0.00 O ATOM 1163 CB THR A 74 -4.925 6.826 -0.956 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.409 6.577 -2.261 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.429 6.532 -0.862 1.00 0.00 C ATOM 0 H THR A 74 -7.375 6.939 -0.787 1.00 0.00 H new ATOM 0 HA THR A 74 -5.540 4.948 -0.134 1.00 0.00 H new ATOM 0 HB THR A 74 -5.069 7.883 -0.732 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.734 7.414 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.894 7.128 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.071 6.784 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.253 5.473 -1.054 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.561 7.529 1.972 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.116 7.929 3.293 1.00 0.00 C ATOM 1175 C CYS A 75 -5.631 6.958 4.347 1.00 0.00 C ATOM 1176 O CYS A 75 -4.827 6.403 5.089 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.575 9.363 3.585 1.00 0.00 C ATOM 1178 SG CYS A 75 -5.312 9.743 5.340 1.00 0.00 S ATOM 0 H CYS A 75 -6.119 8.226 1.478 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.027 7.904 3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.021 10.066 2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.629 9.476 3.332 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.700 10.960 5.583 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.951 6.776 4.425 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.573 5.919 5.425 1.00 0.00 C ATOM 1186 C GLU A 76 -6.956 4.524 5.372 1.00 0.00 C ATOM 1187 O GLU A 76 -6.609 3.973 6.416 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.085 5.824 5.140 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.923 7.071 5.464 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.639 7.718 6.821 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.022 7.135 7.860 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.121 8.866 6.787 1.00 0.00 O ATOM 0 H GLU A 76 -7.616 7.222 3.793 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.409 6.342 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.219 5.588 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.487 4.985 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.755 7.814 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.978 6.800 5.424 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.827 3.958 4.169 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.362 2.601 3.943 1.00 0.00 C ATOM 1201 C LEU A 77 -4.939 2.470 4.458 1.00 0.00 C ATOM 1202 O LEU A 77 -4.645 1.591 5.261 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.447 2.277 2.438 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.775 0.964 2.007 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.469 -0.282 2.556 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.710 0.912 0.475 1.00 0.00 C ATOM 0 H LEU A 77 -7.052 4.452 3.305 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.989 1.889 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.498 2.239 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.994 3.097 1.881 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.771 0.958 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.943 -1.173 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.461 -0.253 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.499 -0.310 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.234 -0.017 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.719 0.958 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.130 1.758 0.106 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.055 3.343 3.980 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.651 3.349 4.341 1.00 0.00 C ATOM 1220 C LEU A 78 -2.468 3.593 5.839 1.00 0.00 C ATOM 1221 O LEU A 78 -1.513 3.101 6.441 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.941 4.452 3.537 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.694 4.102 2.057 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.935 5.254 1.396 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.897 2.808 1.868 1.00 0.00 C ATOM 0 H LEU A 78 -4.306 4.078 3.318 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.219 2.376 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.538 5.363 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.984 4.671 4.011 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.669 3.948 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.755 5.017 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.527 6.167 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.018 5.401 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.758 2.619 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.076 2.906 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.441 1.977 2.316 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.316 4.415 6.448 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.275 4.693 7.873 1.00 0.00 C ATOM 1239 C PHE A 79 -3.649 3.440 8.672 1.00 0.00 C ATOM 1240 O PHE A 79 -2.889 3.040 9.557 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.165 5.902 8.169 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.035 6.397 9.588 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.995 7.280 9.940 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -4.962 5.971 10.553 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.907 7.765 11.255 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -4.870 6.453 11.869 1.00 0.00 C ATOM 1247 CZ PHE A 79 -3.847 7.351 12.215 1.00 0.00 C ATOM 0 H PHE A 79 -4.059 4.912 5.957 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.264 4.952 8.188 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.910 6.710 7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.205 5.637 7.977 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.268 7.583 9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.743 5.275 10.284 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.121 8.453 11.528 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.584 6.134 12.613 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.782 7.726 13.226 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.777 2.814 8.339 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.282 1.598 8.980 1.00 0.00 C ATOM 1259 C ASP A 80 -4.275 0.465 8.847 1.00 0.00 C ATOM 1260 O ASP A 80 -4.015 -0.298 9.776 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.589 1.138 8.301 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.840 1.259 9.156 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.763 1.515 10.378 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.923 1.006 8.588 1.00 0.00 O ATOM 0 H ASP A 80 -5.385 3.149 7.592 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.456 1.829 10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.732 1.722 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.475 0.097 7.997 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.697 0.332 7.660 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.810 -0.765 7.347 1.00 0.00 C ATOM 1271 C TRP A 81 -1.476 -0.651 8.101 1.00 0.00 C ATOM 1272 O TRP A 81 -0.848 -1.660 8.424 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.668 -0.807 5.831 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.840 -1.928 5.336 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.918 -3.208 5.747 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.784 -1.882 4.352 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.914 -3.942 5.158 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.184 -3.169 4.288 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.299 -0.879 3.495 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.905 -3.435 3.461 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.777 -1.147 2.636 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.390 -2.411 2.642 1.00 0.00 C ATOM 0 H TRP A 81 -3.835 0.987 6.890 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.220 -1.716 7.687 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.660 -0.877 5.385 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.231 0.132 5.491 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.655 -3.598 6.433 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.735 -4.929 5.343 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.756 0.100 3.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.365 -4.412 3.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.136 -0.379 1.967 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.245 -2.594 2.007 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.088 0.562 8.501 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.005 0.808 9.443 1.00 0.00 C ATOM 1295 C GLY A 82 -0.242 0.059 10.742 1.00 0.00 C ATOM 1296 O GLY A 82 0.607 -0.688 11.237 1.00 0.00 O ATOM 0 H GLY A 82 -1.532 1.418 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.943 0.495 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.074 1.877 9.643 1.00 0.00 H new ATOM 1300 N THR A 83 -1.435 0.278 11.268 1.00 0.00 N ATOM 1301 CA THR A 83 -1.992 -0.271 12.481 1.00 0.00 C ATOM 1302 C THR A 83 -2.152 -1.803 12.381 1.00 0.00 C ATOM 1303 O THR A 83 -2.067 -2.497 13.394 1.00 0.00 O ATOM 1304 CB THR A 83 -3.283 0.548 12.704 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.043 1.546 13.671 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.521 -0.260 13.028 1.00 0.00 C ATOM 0 H THR A 83 -2.096 0.905 10.809 1.00 0.00 H new ATOM 0 HA THR A 83 -1.353 -0.176 13.359 1.00 0.00 H new ATOM 0 HB THR A 83 -3.522 1.002 11.742 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.860 2.068 13.813 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.368 0.412 13.165 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.732 -0.947 12.209 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.356 -0.827 13.944 1.00 0.00 H new ATOM 1314 N THR A 84 -2.291 -2.380 11.181 1.00 0.00 N ATOM 1315 CA THR A 84 -2.260 -3.834 11.016 1.00 0.00 C ATOM 1316 C THR A 84 -0.859 -4.412 11.319 1.00 0.00 C ATOM 1317 O THR A 84 -0.756 -5.609 11.585 1.00 0.00 O ATOM 1318 CB THR A 84 -2.828 -4.205 9.624 1.00 0.00 C ATOM 1319 OG1 THR A 84 -3.917 -5.088 9.762 1.00 0.00 O ATOM 1320 CG2 THR A 84 -1.865 -4.904 8.666 1.00 0.00 C ATOM 0 H THR A 84 -2.426 -1.861 10.313 1.00 0.00 H new ATOM 0 HA THR A 84 -2.908 -4.308 11.753 1.00 0.00 H new ATOM 0 HB THR A 84 -3.085 -3.235 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.461 -5.067 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.375 -5.113 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.007 -4.259 8.478 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.525 -5.839 9.110 1.00 0.00 H new ATOM 1328 N ASN A 85 0.192 -3.577 11.317 1.00 0.00 N ATOM 1329 CA ASN A 85 1.618 -3.841 11.540 1.00 0.00 C ATOM 1330 C ASN A 85 2.266 -4.095 10.176 1.00 0.00 C ATOM 1331 O ASN A 85 2.731 -5.210 9.917 1.00 0.00 O ATOM 1332 CB ASN A 85 1.955 -4.993 12.524 1.00 0.00 C ATOM 1333 CG ASN A 85 1.300 -4.910 13.894 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.432 -3.917 14.601 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.597 -5.954 14.303 1.00 0.00 N ATOM 0 H ASN A 85 0.042 -2.584 11.138 1.00 0.00 H new ATOM 0 HA ASN A 85 2.020 -2.958 12.036 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.666 -5.936 12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.036 -5.023 12.661 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.153 -5.942 15.221 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.499 -6.771 13.700 1.00 0.00 H new ATOM 1342 N CYS A 86 2.281 -3.110 9.271 1.00 0.00 N ATOM 1343 CA CYS A 86 2.940 -3.220 7.962 1.00 0.00 C ATOM 1344 C CYS A 86 3.795 -1.990 7.641 1.00 0.00 C ATOM 1345 O CYS A 86 3.727 -0.976 8.344 1.00 0.00 O ATOM 1346 CB CYS A 86 1.895 -3.499 6.880 1.00 0.00 C ATOM 1347 SG CYS A 86 1.305 -5.204 7.071 1.00 0.00 S ATOM 0 H CYS A 86 1.833 -2.207 9.426 1.00 0.00 H new ATOM 0 HA CYS A 86 3.633 -4.061 7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.064 -2.799 6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.328 -3.357 5.890 1.00 0.00 H new ATOM 0 HG CYS A 86 1.817 -5.722 8.148 1.00 0.00 H new ATOM 1353 N THR A 87 4.627 -2.099 6.602 1.00 0.00 N ATOM 1354 CA THR A 87 5.772 -1.228 6.371 1.00 0.00 C ATOM 1355 C THR A 87 5.817 -0.651 4.954 1.00 0.00 C ATOM 1356 O THR A 87 5.185 -1.168 4.033 1.00 0.00 O ATOM 1357 CB THR A 87 7.046 -2.044 6.655 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.017 -3.256 5.926 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.195 -2.401 8.128 1.00 0.00 C ATOM 0 H THR A 87 4.516 -2.814 5.883 1.00 0.00 H new ATOM 0 HA THR A 87 5.691 -0.369 7.037 1.00 0.00 H new ATOM 0 HB THR A 87 7.885 -1.416 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.832 -3.768 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.110 -2.976 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.243 -1.487 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.339 -2.995 8.447 1.00 0.00 H new ATOM 1367 N VAL A 88 6.622 0.393 4.760 1.00 0.00 N ATOM 1368 CA VAL A 88 6.859 1.043 3.475 1.00 0.00 C ATOM 1369 C VAL A 88 7.369 0.024 2.449 1.00 0.00 C ATOM 1370 O VAL A 88 7.010 0.104 1.276 1.00 0.00 O ATOM 1371 CB VAL A 88 7.898 2.166 3.684 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.456 2.707 2.362 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.308 3.340 4.468 1.00 0.00 C ATOM 0 H VAL A 88 7.145 0.824 5.522 1.00 0.00 H new ATOM 0 HA VAL A 88 5.929 1.465 3.093 1.00 0.00 H new ATOM 0 HB VAL A 88 8.709 1.707 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.182 3.494 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.942 1.899 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.641 3.113 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.068 4.111 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.460 3.753 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.975 2.993 5.446 1.00 0.00 H new ATOM 1383 N GLY A 89 8.216 -0.917 2.871 1.00 0.00 N ATOM 1384 CA GLY A 89 8.781 -1.923 1.995 1.00 0.00 C ATOM 1385 C GLY A 89 7.696 -2.865 1.511 1.00 0.00 C ATOM 1386 O GLY A 89 7.689 -3.225 0.334 1.00 0.00 O ATOM 0 H GLY A 89 8.526 -0.995 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.264 -1.444 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.551 -2.485 2.523 1.00 0.00 H new ATOM 1390 N ASP A 90 6.767 -3.211 2.408 1.00 0.00 N ATOM 1391 CA ASP A 90 5.591 -4.012 2.076 1.00 0.00 C ATOM 1392 C ASP A 90 4.765 -3.261 1.028 1.00 0.00 C ATOM 1393 O ASP A 90 4.361 -3.848 0.024 1.00 0.00 O ATOM 1394 CB ASP A 90 4.767 -4.302 3.349 1.00 0.00 C ATOM 1395 CG ASP A 90 4.037 -5.640 3.309 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.108 -5.833 2.504 1.00 0.00 O ATOM 1397 OD2 ASP A 90 4.395 -6.531 4.128 1.00 0.00 O ATOM 0 H ASP A 90 6.813 -2.940 3.390 1.00 0.00 H new ATOM 0 HA ASP A 90 5.894 -4.973 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.431 -4.285 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.038 -3.504 3.490 1.00 0.00 H new ATOM 1402 N LEU A 91 4.552 -1.955 1.257 1.00 0.00 N ATOM 1403 CA LEU A 91 3.794 -1.062 0.387 1.00 0.00 C ATOM 1404 C LEU A 91 4.387 -1.050 -1.010 1.00 0.00 C ATOM 1405 O LEU A 91 3.661 -1.372 -1.941 1.00 0.00 O ATOM 1406 CB LEU A 91 3.686 0.352 0.988 1.00 0.00 C ATOM 1407 CG LEU A 91 3.017 1.399 0.073 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.655 1.003 -0.516 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.834 2.705 0.860 1.00 0.00 C ATOM 0 H LEU A 91 4.918 -1.483 2.083 1.00 0.00 H new ATOM 0 HA LEU A 91 2.776 -1.443 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.123 0.293 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.687 0.700 1.242 1.00 0.00 H new ATOM 0 HG LEU A 91 3.691 1.500 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.280 1.813 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.767 0.102 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.950 0.813 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.362 3.451 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.204 2.520 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.807 3.071 1.188 1.00 0.00 H new ATOM 1421 N VAL A 92 5.660 -0.681 -1.167 1.00 0.00 N ATOM 1422 CA VAL A 92 6.362 -0.732 -2.447 1.00 0.00 C ATOM 1423 C VAL A 92 6.108 -2.075 -3.117 1.00 0.00 C ATOM 1424 O VAL A 92 5.772 -2.099 -4.294 1.00 0.00 O ATOM 1425 CB VAL A 92 7.863 -0.504 -2.212 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.775 -1.080 -3.303 1.00 0.00 C ATOM 1427 CG2 VAL A 92 8.170 0.971 -1.983 1.00 0.00 C ATOM 0 H VAL A 92 6.237 -0.335 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 92 5.992 0.052 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 92 8.093 -1.067 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.816 -0.872 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.626 -2.158 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.532 -0.620 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.240 1.099 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.865 1.546 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.625 1.325 -1.108 1.00 0.00 H new ATOM 1437 N ASP A 93 6.265 -3.176 -2.388 1.00 0.00 N ATOM 1438 CA ASP A 93 6.190 -4.504 -2.977 1.00 0.00 C ATOM 1439 C ASP A 93 4.821 -4.730 -3.609 1.00 0.00 C ATOM 1440 O ASP A 93 4.710 -5.152 -4.763 1.00 0.00 O ATOM 1441 CB ASP A 93 6.461 -5.576 -1.911 1.00 0.00 C ATOM 1442 CG ASP A 93 7.620 -6.514 -2.249 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.364 -6.286 -3.224 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.801 -7.530 -1.536 1.00 0.00 O ATOM 0 H ASP A 93 6.446 -3.172 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 93 6.951 -4.580 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.671 -5.084 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.557 -6.169 -1.769 1.00 0.00 H new ATOM 1449 N LEU A 94 3.758 -4.444 -2.859 1.00 0.00 N ATOM 1450 CA LEU A 94 2.387 -4.551 -3.333 1.00 0.00 C ATOM 1451 C LEU A 94 2.138 -3.566 -4.460 1.00 0.00 C ATOM 1452 O LEU A 94 1.463 -3.917 -5.419 1.00 0.00 O ATOM 1453 CB LEU A 94 1.413 -4.272 -2.191 1.00 0.00 C ATOM 1454 CG LEU A 94 1.458 -5.379 -1.130 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.158 -4.787 0.234 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.475 -6.494 -1.452 1.00 0.00 C ATOM 0 H LEU A 94 3.830 -4.127 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 94 2.230 -5.564 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.656 -3.315 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.401 -4.187 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 94 2.458 -5.813 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.190 -5.574 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.902 -4.026 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.166 -4.335 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.531 -7.263 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.536 -6.089 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.724 -6.931 -2.419 1.00 0.00 H new ATOM 1468 N LEU A 95 2.666 -2.344 -4.373 1.00 0.00 N ATOM 1469 CA LEU A 95 2.550 -1.357 -5.438 1.00 0.00 C ATOM 1470 C LEU A 95 3.128 -1.938 -6.727 1.00 0.00 C ATOM 1471 O LEU A 95 2.448 -1.944 -7.746 1.00 0.00 O ATOM 1472 CB LEU A 95 3.210 -0.026 -5.054 1.00 0.00 C ATOM 1473 CG LEU A 95 2.461 0.780 -3.988 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.302 2.013 -3.647 1.00 0.00 C ATOM 1475 CD2 LEU A 95 1.055 1.188 -4.424 1.00 0.00 C ATOM 0 H LEU A 95 3.186 -2.014 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 95 1.496 -1.131 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.219 -0.228 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.308 0.587 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 95 2.325 0.148 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.789 2.605 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.273 1.697 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.443 2.616 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.577 1.756 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.117 1.804 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.467 0.295 -4.637 1.00 0.00 H new ATOM 1487 N VAL A 96 4.330 -2.508 -6.686 1.00 0.00 N ATOM 1488 CA VAL A 96 4.931 -3.188 -7.826 1.00 0.00 C ATOM 1489 C VAL A 96 4.031 -4.351 -8.284 1.00 0.00 C ATOM 1490 O VAL A 96 3.850 -4.515 -9.492 1.00 0.00 O ATOM 1491 CB VAL A 96 6.380 -3.590 -7.460 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.063 -4.409 -8.556 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.256 -2.346 -7.226 1.00 0.00 C ATOM 0 H VAL A 96 4.918 -2.510 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 96 5.004 -2.530 -8.692 1.00 0.00 H new ATOM 0 HB VAL A 96 6.290 -4.191 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.076 -4.662 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.498 -5.325 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.102 -3.825 -9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.269 -2.657 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.280 -1.742 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.840 -1.757 -6.409 1.00 0.00 H new ATOM 1503 N GLN A 97 3.409 -5.116 -7.373 1.00 0.00 N ATOM 1504 CA GLN A 97 2.509 -6.212 -7.747 1.00 0.00 C ATOM 1505 C GLN A 97 1.278 -5.723 -8.510 1.00 0.00 C ATOM 1506 O GLN A 97 0.707 -6.484 -9.287 1.00 0.00 O ATOM 1507 CB GLN A 97 2.124 -7.100 -6.537 1.00 0.00 C ATOM 1508 CG GLN A 97 0.672 -7.023 -5.998 1.00 0.00 C ATOM 1509 CD GLN A 97 0.293 -8.208 -5.107 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -0.865 -8.632 -5.109 1.00 0.00 O ATOM 1511 NE2 GLN A 97 1.205 -8.718 -4.291 1.00 0.00 N ATOM 0 H GLN A 97 3.516 -4.992 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 97 3.072 -6.844 -8.434 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.322 -8.137 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.797 -6.852 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.550 -6.099 -5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.019 -6.975 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.159 -8.356 -4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.953 -9.472 -3.652 1.00 0.00 H new ATOM 1520 N ILE A 98 0.817 -4.497 -8.258 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.362 -3.940 -8.917 1.00 0.00 C ATOM 1522 C ILE A 98 0.022 -3.074 -10.132 1.00 0.00 C ATOM 1523 O ILE A 98 -0.885 -2.517 -10.760 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.312 -3.246 -7.915 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.675 -2.027 -7.248 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.805 -4.224 -6.836 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.658 -1.161 -6.470 1.00 0.00 C ATOM 0 H ILE A 98 1.253 -3.862 -7.589 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.942 -4.768 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.164 -2.901 -8.502 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.110 -2.365 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.195 -1.416 -8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.471 -3.702 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.343 -5.046 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.951 -4.618 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.128 -0.317 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.430 -0.791 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.120 -1.754 -5.681 1.00 0.00 H new ATOM 1539 N GLU A 99 1.318 -2.979 -10.475 1.00 0.00 N ATOM 1540 CA GLU A 99 1.926 -2.284 -11.626 1.00 0.00 C ATOM 1541 C GLU A 99 2.293 -0.819 -11.297 1.00 0.00 C ATOM 1542 O GLU A 99 2.641 -0.025 -12.176 1.00 0.00 O ATOM 1543 CB GLU A 99 1.059 -2.400 -12.898 1.00 0.00 C ATOM 1544 CG GLU A 99 1.862 -2.535 -14.198 1.00 0.00 C ATOM 1545 CD GLU A 99 2.129 -4.004 -14.530 1.00 0.00 C ATOM 1546 OE1 GLU A 99 3.111 -4.578 -14.009 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.394 -4.566 -15.377 1.00 0.00 O ATOM 0 H GLU A 99 2.033 -3.427 -9.902 1.00 0.00 H new ATOM 0 HA GLU A 99 2.864 -2.796 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.402 -3.264 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.419 -1.520 -12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.315 -2.067 -15.017 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.808 -2.003 -14.101 1.00 0.00 H new ATOM 1554 N LEU A 100 2.137 -0.404 -10.034 1.00 0.00 N ATOM 1555 CA LEU A 100 2.110 0.986 -9.580 1.00 0.00 C ATOM 1556 C LEU A 100 3.524 1.493 -9.299 1.00 0.00 C ATOM 1557 O LEU A 100 3.919 1.795 -8.166 1.00 0.00 O ATOM 1558 CB LEU A 100 1.180 1.144 -8.358 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.271 1.529 -8.678 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.318 3.001 -9.093 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -0.924 0.668 -9.764 1.00 0.00 C ATOM 0 H LEU A 100 2.021 -1.064 -9.265 1.00 0.00 H new ATOM 0 HA LEU A 100 1.701 1.605 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.175 0.206 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.602 1.902 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.846 1.353 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.346 3.282 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.054 3.621 -8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.304 3.150 -9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.947 1.005 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.357 0.760 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.933 -0.374 -9.446 1.00 0.00 H new ATOM 1573 N PHE A 101 4.308 1.595 -10.364 1.00 0.00 N ATOM 1574 CA PHE A 101 5.734 1.854 -10.225 1.00 0.00 C ATOM 1575 C PHE A 101 6.014 3.300 -9.802 1.00 0.00 C ATOM 1576 O PHE A 101 6.996 3.536 -9.104 1.00 0.00 O ATOM 1577 CB PHE A 101 6.482 1.483 -11.510 1.00 0.00 C ATOM 1578 CG PHE A 101 6.206 0.076 -12.023 1.00 0.00 C ATOM 1579 CD1 PHE A 101 6.201 -1.044 -11.161 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.917 -0.101 -13.387 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.845 -2.310 -11.665 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.591 -1.371 -13.891 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.548 -2.475 -13.027 1.00 0.00 C ATOM 0 H PHE A 101 3.984 1.503 -11.327 1.00 0.00 H new ATOM 0 HA PHE A 101 6.110 1.217 -9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 101 6.216 2.198 -12.289 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.553 1.588 -11.334 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.469 -0.930 -10.121 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.946 0.748 -14.054 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.800 -3.159 -10.999 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.374 -1.497 -14.941 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.287 -3.451 -13.409 1.00 0.00 H new ATOM 1593 N ALA A 102 5.152 4.264 -10.153 1.00 0.00 N ATOM 1594 CA ALA A 102 5.301 5.658 -9.737 1.00 0.00 C ATOM 1595 C ALA A 102 5.320 5.795 -8.201 1.00 0.00 C ATOM 1596 O ALA A 102 6.336 6.253 -7.669 1.00 0.00 O ATOM 1597 CB ALA A 102 4.250 6.551 -10.415 1.00 0.00 C ATOM 0 H ALA A 102 4.331 4.095 -10.735 1.00 0.00 H new ATOM 0 HA ALA A 102 6.273 6.014 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.383 7.582 -10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.369 6.495 -11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.252 6.210 -10.141 1.00 0.00 H new ATOM 1603 N PRO A 103 4.270 5.413 -7.446 1.00 0.00 N ATOM 1604 CA PRO A 103 4.299 5.529 -5.994 1.00 0.00 C ATOM 1605 C PRO A 103 5.354 4.608 -5.350 1.00 0.00 C ATOM 1606 O PRO A 103 5.934 5.010 -4.344 1.00 0.00 O ATOM 1607 CB PRO A 103 2.880 5.245 -5.506 1.00 0.00 C ATOM 1608 CG PRO A 103 2.265 4.449 -6.645 1.00 0.00 C ATOM 1609 CD PRO A 103 2.964 4.964 -7.894 1.00 0.00 C ATOM 0 HA PRO A 103 4.606 6.531 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.882 4.678 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.329 6.166 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.426 3.379 -6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.188 4.605 -6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.054 4.180 -8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.403 5.780 -8.350 1.00 0.00 H new ATOM 1617 N ALA A 104 5.640 3.423 -5.918 1.00 0.00 N ATOM 1618 CA ALA A 104 6.736 2.555 -5.476 1.00 0.00 C ATOM 1619 C ALA A 104 8.051 3.347 -5.529 1.00 0.00 C ATOM 1620 O ALA A 104 8.743 3.421 -4.520 1.00 0.00 O ATOM 1621 CB ALA A 104 6.787 1.301 -6.356 1.00 0.00 C ATOM 0 H ALA A 104 5.111 3.042 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 104 6.576 2.228 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.602 0.658 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.843 0.761 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.952 1.591 -7.394 1.00 0.00 H new ATOM 1627 N THR A 105 8.355 4.015 -6.649 1.00 0.00 N ATOM 1628 CA THR A 105 9.573 4.791 -6.829 1.00 0.00 C ATOM 1629 C THR A 105 9.616 5.949 -5.826 1.00 0.00 C ATOM 1630 O THR A 105 10.684 6.293 -5.327 1.00 0.00 O ATOM 1631 CB THR A 105 9.591 5.386 -8.255 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.517 4.430 -9.288 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.793 6.265 -8.583 1.00 0.00 C ATOM 0 H THR A 105 7.745 4.027 -7.467 1.00 0.00 H new ATOM 0 HA THR A 105 10.431 4.137 -6.673 1.00 0.00 H new ATOM 0 HB THR A 105 8.687 5.994 -8.224 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.722 3.872 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.708 6.631 -9.606 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.823 7.111 -7.896 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.708 5.682 -8.481 1.00 0.00 H new ATOM 1641 N LEU A 106 8.478 6.595 -5.544 1.00 0.00 N ATOM 1642 CA LEU A 106 8.447 7.764 -4.675 1.00 0.00 C ATOM 1643 C LEU A 106 8.890 7.390 -3.260 1.00 0.00 C ATOM 1644 O LEU A 106 9.531 8.177 -2.561 1.00 0.00 O ATOM 1645 CB LEU A 106 7.020 8.328 -4.683 1.00 0.00 C ATOM 1646 CG LEU A 106 6.829 9.474 -3.677 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.744 10.657 -3.983 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.386 9.967 -3.715 1.00 0.00 C ATOM 0 H LEU A 106 7.566 6.322 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 106 9.139 8.524 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.781 8.686 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.316 7.528 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 106 7.078 9.079 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.578 11.445 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.784 10.334 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.525 11.038 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.260 10.779 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.151 10.327 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.715 9.148 -3.457 1.00 0.00 H new ATOM 1660 N LEU A 107 8.518 6.186 -2.836 1.00 0.00 N ATOM 1661 CA LEU A 107 8.929 5.617 -1.568 1.00 0.00 C ATOM 1662 C LEU A 107 10.381 5.156 -1.671 1.00 0.00 C ATOM 1663 O LEU A 107 11.188 5.549 -0.832 1.00 0.00 O ATOM 1664 CB LEU A 107 7.995 4.453 -1.214 1.00 0.00 C ATOM 1665 CG LEU A 107 6.532 4.886 -1.007 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.617 3.665 -1.074 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.323 5.633 0.313 1.00 0.00 C ATOM 0 H LEU A 107 7.911 5.571 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 107 8.864 6.362 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.037 3.708 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.356 3.970 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 107 6.281 5.581 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.583 3.977 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.717 3.188 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.897 2.957 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.275 5.916 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.602 4.987 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.943 6.529 0.326 1.00 0.00 H new ATOM 1679 N LEU A 108 10.702 4.342 -2.682 1.00 0.00 N ATOM 1680 CA LEU A 108 11.992 3.700 -2.899 1.00 0.00 C ATOM 1681 C LEU A 108 12.271 3.607 -4.399 1.00 0.00 C ATOM 1682 O LEU A 108 11.829 2.663 -5.056 1.00 0.00 O ATOM 1683 CB LEU A 108 12.003 2.290 -2.306 1.00 0.00 C ATOM 1684 CG LEU A 108 12.307 2.265 -0.812 1.00 0.00 C ATOM 1685 CD1 LEU A 108 11.988 0.909 -0.188 1.00 0.00 C ATOM 1686 CD2 LEU A 108 13.757 2.641 -0.484 1.00 0.00 C ATOM 0 H LEU A 108 10.027 4.104 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 108 12.760 4.298 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.034 1.823 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.745 1.689 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 108 11.656 3.025 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.219 0.935 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.930 0.686 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.587 0.137 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.907 2.604 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.434 1.938 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.962 3.649 -0.844 1.00 0.00 H new ATOM 1698 N PRO A 109 13.039 4.543 -4.963 1.00 0.00 N ATOM 1699 CA PRO A 109 13.347 4.558 -6.382 1.00 0.00 C ATOM 1700 C PRO A 109 14.357 3.456 -6.725 1.00 0.00 C ATOM 1701 O PRO A 109 14.487 3.111 -7.899 1.00 0.00 O ATOM 1702 CB PRO A 109 13.902 5.958 -6.653 1.00 0.00 C ATOM 1703 CG PRO A 109 14.501 6.384 -5.317 1.00 0.00 C ATOM 1704 CD PRO A 109 13.630 5.675 -4.285 1.00 0.00 C ATOM 0 HA PRO A 109 12.474 4.357 -7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.655 5.943 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.117 6.643 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.545 6.084 -5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.469 7.466 -5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.225 5.350 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.860 6.344 -3.901 1.00 0.00 H new ATOM 1712 N ASP A 110 15.076 2.906 -5.736 1.00 0.00 N ATOM 1713 CA ASP A 110 15.991 1.779 -5.922 1.00 0.00 C ATOM 1714 C ASP A 110 15.243 0.450 -5.883 1.00 0.00 C ATOM 1715 O ASP A 110 15.613 -0.458 -6.622 1.00 0.00 O ATOM 1716 CB ASP A 110 17.107 1.791 -4.865 1.00 0.00 C ATOM 1717 CG ASP A 110 18.454 1.349 -5.443 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.795 0.148 -5.419 1.00 0.00 O ATOM 1719 OD2 ASP A 110 19.225 2.250 -5.863 1.00 0.00 O ATOM 0 H ASP A 110 15.035 3.239 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 110 16.447 1.888 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 110 17.203 2.795 -4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.833 1.132 -4.042 1.00 0.00 H new ATOM 1724 N ALA A 111 14.206 0.321 -5.033 1.00 0.00 N ATOM 1725 CA ALA A 111 13.554 -0.971 -4.818 1.00 0.00 C ATOM 1726 C ALA A 111 12.868 -1.533 -6.070 1.00 0.00 C ATOM 1727 O ALA A 111 13.016 -2.711 -6.391 1.00 0.00 O ATOM 1728 CB ALA A 111 12.516 -0.799 -3.714 1.00 0.00 C ATOM 0 H ALA A 111 13.810 1.090 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 111 14.330 -1.687 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 111 12.015 -1.750 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.009 -0.470 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.781 -0.054 -4.018 1.00 0.00 H new ATOM 1734 N VAL A 112 12.051 -0.707 -6.726 1.00 0.00 N ATOM 1735 CA VAL A 112 11.240 -1.107 -7.872 1.00 0.00 C ATOM 1736 C VAL A 112 12.167 -1.574 -9.014 1.00 0.00 C ATOM 1737 O VAL A 112 13.123 -0.859 -9.338 1.00 0.00 O ATOM 1738 CB VAL A 112 10.291 0.046 -8.249 1.00 0.00 C ATOM 1739 CG1 VAL A 112 10.998 1.398 -8.406 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.478 -0.264 -9.512 1.00 0.00 C ATOM 0 H VAL A 112 11.934 0.273 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 112 10.601 -1.958 -7.636 1.00 0.00 H new ATOM 0 HB VAL A 112 9.611 0.132 -7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.267 2.162 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.480 1.668 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.750 1.326 -9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.823 0.577 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.156 -0.432 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.876 -1.158 -9.347 1.00 0.00 H new ATOM 1750 N PRO A 113 11.905 -2.736 -9.648 1.00 0.00 N ATOM 1751 CA PRO A 113 12.749 -3.290 -10.703 1.00 0.00 C ATOM 1752 C PRO A 113 12.670 -2.448 -11.983 1.00 0.00 C ATOM 1753 O PRO A 113 11.921 -2.761 -12.908 1.00 0.00 O ATOM 1754 CB PRO A 113 12.281 -4.739 -10.885 1.00 0.00 C ATOM 1755 CG PRO A 113 10.821 -4.708 -10.445 1.00 0.00 C ATOM 1756 CD PRO A 113 10.842 -3.679 -9.319 1.00 0.00 C ATOM 0 HA PRO A 113 13.807 -3.271 -10.442 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.380 -5.064 -11.921 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.867 -5.428 -10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.158 -4.409 -11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.480 -5.683 -10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.881 -3.170 -9.239 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.030 -4.158 -8.358 1.00 0.00 H new ATOM 1764 N GLN A 114 13.438 -1.363 -12.015 1.00 0.00 N ATOM 1765 CA GLN A 114 13.768 -0.508 -13.146 1.00 0.00 C ATOM 1766 C GLN A 114 14.876 0.436 -12.679 1.00 0.00 C ATOM 1767 O GLN A 114 15.888 0.588 -13.367 1.00 0.00 O ATOM 1768 CB GLN A 114 12.553 0.328 -13.609 1.00 0.00 C ATOM 1769 CG GLN A 114 11.964 -0.158 -14.937 1.00 0.00 C ATOM 1770 CD GLN A 114 10.847 0.756 -15.441 1.00 0.00 C ATOM 1771 OE1 GLN A 114 9.816 0.941 -14.803 1.00 0.00 O ATOM 1772 NE2 GLN A 114 10.989 1.367 -16.603 1.00 0.00 N ATOM 0 H GLN A 114 13.889 -1.029 -11.163 1.00 0.00 H new ATOM 0 HA GLN A 114 14.078 -1.124 -13.990 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.781 0.293 -12.841 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.854 1.371 -13.711 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.754 -0.210 -15.686 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.576 -1.169 -14.812 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.838 1.229 -17.152 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.250 1.977 -16.952 1.00 0.00 H new ATOM 1781 N THR A 115 14.651 1.074 -11.523 1.00 0.00 N ATOM 1782 CA THR A 115 15.374 2.219 -10.982 1.00 0.00 C ATOM 1783 C THR A 115 15.755 3.242 -12.072 1.00 0.00 C ATOM 1784 O THR A 115 15.110 3.314 -13.121 1.00 0.00 O ATOM 1785 CB THR A 115 16.459 1.751 -9.984 1.00 0.00 C ATOM 1786 OG1 THR A 115 16.850 2.834 -9.163 1.00 0.00 O ATOM 1787 CG2 THR A 115 17.718 1.123 -10.572 1.00 0.00 C ATOM 0 H THR A 115 13.901 0.776 -10.899 1.00 0.00 H new ATOM 0 HA THR A 115 14.722 2.831 -10.359 1.00 0.00 H new ATOM 0 HB THR A 115 15.969 0.948 -9.433 1.00 0.00 H new ATOM 0 HG1 THR A 115 16.064 3.197 -8.703 1.00 0.00 H new ATOM 0 HG21 THR A 115 18.394 0.840 -9.765 1.00 0.00 H new ATOM 0 HG22 THR A 115 17.448 0.237 -11.147 1.00 0.00 H new ATOM 0 HG23 THR A 115 18.213 1.842 -11.225 1.00 0.00 H new ATOM 1795 N VAL A 116 16.733 4.103 -11.793 1.00 0.00 N ATOM 1796 CA VAL A 116 17.337 5.033 -12.739 1.00 0.00 C ATOM 1797 C VAL A 116 18.839 4.999 -12.451 1.00 0.00 C ATOM 1798 O VAL A 116 19.587 4.317 -13.151 1.00 0.00 O ATOM 1799 CB VAL A 116 16.696 6.442 -12.642 1.00 0.00 C ATOM 1800 CG1 VAL A 116 17.368 7.437 -13.601 1.00 0.00 C ATOM 1801 CG2 VAL A 116 15.193 6.439 -12.961 1.00 0.00 C ATOM 0 H VAL A 116 17.142 4.172 -10.861 1.00 0.00 H new ATOM 0 HA VAL A 116 17.159 4.747 -13.776 1.00 0.00 H new ATOM 0 HB VAL A 116 16.844 6.747 -11.606 1.00 0.00 H new ATOM 0 HG11 VAL A 116 16.892 8.413 -13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 116 18.426 7.523 -13.353 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.263 7.082 -14.626 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.801 7.453 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 116 15.037 6.073 -13.976 1.00 0.00 H new ATOM 0 HG23 VAL A 116 14.673 5.789 -12.257 1.00 0.00 H new ATOM 1811 N LYS A 117 19.290 5.684 -11.395 1.00 0.00 N ATOM 1812 CA LYS A 117 20.649 5.615 -10.874 1.00 0.00 C ATOM 1813 C LYS A 117 20.593 5.739 -9.358 1.00 0.00 C ATOM 1814 O LYS A 117 19.623 6.275 -8.804 1.00 0.00 O ATOM 1815 CB LYS A 117 21.547 6.721 -11.472 1.00 0.00 C ATOM 1816 CG LYS A 117 22.249 6.296 -12.775 1.00 0.00 C ATOM 1817 CD LYS A 117 21.530 6.749 -14.054 1.00 0.00 C ATOM 1818 CE LYS A 117 21.721 8.241 -14.342 1.00 0.00 C ATOM 1819 NZ LYS A 117 23.091 8.560 -14.789 1.00 0.00 N ATOM 0 H LYS A 117 18.695 6.321 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 117 21.088 4.659 -11.159 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.941 7.606 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.300 7.005 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.261 6.701 -12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.340 5.210 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.901 6.169 -14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 117 20.465 6.534 -13.963 1.00 0.00 H new ATOM 0 HE2 LYS A 117 21.011 8.554 -15.107 1.00 0.00 H new ATOM 0 HE3 LYS A 117 21.493 8.813 -13.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 23.137 9.556 -15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 23.758 8.399 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 23.345 7.950 -15.592 1.00 0.00 H new ATOM 1833 N SER A 118 21.655 5.269 -8.716 1.00 0.00 N ATOM 1834 CA SER A 118 21.847 5.278 -7.281 1.00 0.00 C ATOM 1835 C SER A 118 22.299 6.660 -6.797 1.00 0.00 C ATOM 1836 O SER A 118 22.549 7.569 -7.598 1.00 0.00 O ATOM 1837 CB SER A 118 22.871 4.184 -6.938 1.00 0.00 C ATOM 1838 OG SER A 118 24.160 4.450 -7.475 1.00 0.00 O ATOM 0 H SER A 118 22.442 4.851 -9.212 1.00 0.00 H new ATOM 0 HA SER A 118 20.908 5.070 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 118 22.946 4.089 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 118 22.514 3.227 -7.318 1.00 0.00 H new ATOM 0 HG SER A 118 24.773 3.727 -7.227 1.00 0.00 H new ATOM 1844 N LEU A 119 22.498 6.803 -5.486 1.00 0.00 N ATOM 1845 CA LEU A 119 23.438 7.764 -4.916 1.00 0.00 C ATOM 1846 C LEU A 119 24.269 7.001 -3.873 1.00 0.00 C ATOM 1847 O LEU A 119 23.690 6.210 -3.125 1.00 0.00 O ATOM 1848 CB LEU A 119 22.695 9.014 -4.383 1.00 0.00 C ATOM 1849 CG LEU A 119 23.300 9.678 -3.122 1.00 0.00 C ATOM 1850 CD1 LEU A 119 23.091 11.194 -3.138 1.00 0.00 C ATOM 1851 CD2 LEU A 119 22.672 9.126 -1.834 1.00 0.00 C ATOM 0 H LEU A 119 22.006 6.249 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 119 24.123 8.173 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.659 9.758 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 119 21.665 8.733 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 119 24.365 9.448 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 119 23.527 11.631 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 119 23.573 11.618 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 119 22.024 11.414 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 119 23.122 9.616 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 119 21.599 9.317 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 119 22.848 8.052 -1.774 1.00 0.00 H new ATOM 1863 N PRO A 120 25.596 7.210 -3.804 1.00 0.00 N ATOM 1864 CA PRO A 120 26.438 6.574 -2.803 1.00 0.00 C ATOM 1865 C PRO A 120 26.104 7.151 -1.418 1.00 0.00 C ATOM 1866 O PRO A 120 26.151 8.375 -1.236 1.00 0.00 O ATOM 1867 CB PRO A 120 27.882 6.866 -3.223 1.00 0.00 C ATOM 1868 CG PRO A 120 27.774 8.169 -4.013 1.00 0.00 C ATOM 1869 CD PRO A 120 26.396 8.066 -4.667 1.00 0.00 C ATOM 0 HA PRO A 120 26.281 5.497 -2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 120 28.536 6.975 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 120 28.292 6.061 -3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 120 27.848 9.041 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 120 28.567 8.257 -4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 120 25.940 9.051 -4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 120 26.472 7.645 -5.669 1.00 0.00 H new ATOM 1877 N PRO A 121 25.748 6.321 -0.425 1.00 0.00 N ATOM 1878 CA PRO A 121 25.559 6.785 0.936 1.00 0.00 C ATOM 1879 C PRO A 121 26.920 7.107 1.569 1.00 0.00 C ATOM 1880 O PRO A 121 27.645 6.200 1.985 1.00 0.00 O ATOM 1881 CB PRO A 121 24.786 5.672 1.637 1.00 0.00 C ATOM 1882 CG PRO A 121 25.212 4.407 0.895 1.00 0.00 C ATOM 1883 CD PRO A 121 25.453 4.899 -0.532 1.00 0.00 C ATOM 0 HA PRO A 121 24.994 7.714 1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 121 25.036 5.617 2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 121 23.710 5.830 1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 121 26.113 3.971 1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 121 24.438 3.640 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 121 26.282 4.363 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 121 24.576 4.729 -1.156 1.00 0.00 H new ATOM 1891 N SER A 122 27.295 8.388 1.610 1.00 0.00 N ATOM 1892 CA SER A 122 28.445 8.867 2.364 1.00 0.00 C ATOM 1893 C SER A 122 28.064 8.951 3.845 1.00 0.00 C ATOM 1894 O SER A 122 28.671 8.267 4.671 1.00 0.00 O ATOM 1895 CB SER A 122 28.930 10.206 1.789 1.00 0.00 C ATOM 1896 OG SER A 122 27.913 11.197 1.753 1.00 0.00 O ATOM 0 H SER A 122 26.799 9.127 1.112 1.00 0.00 H new ATOM 0 HA SER A 122 29.282 8.175 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 122 29.764 10.571 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 122 29.309 10.045 0.780 1.00 0.00 H new ATOM 0 HG SER A 122 28.278 12.027 1.380 1.00 0.00 H new ATOM 1902 N GLY A 123 27.023 9.735 4.145 1.00 0.00 N ATOM 1903 CA GLY A 123 26.496 10.045 5.465 1.00 0.00 C ATOM 1904 C GLY A 123 25.693 11.357 5.416 1.00 0.00 C ATOM 1905 O GLY A 123 25.739 12.063 4.401 1.00 0.00 O ATOM 0 H GLY A 123 26.491 10.202 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 123 25.859 9.232 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 123 27.314 10.136 6.180 1.00 0.00 H new ATOM 1909 N PRO A 124 24.917 11.674 6.468 1.00 0.00 N ATOM 1910 CA PRO A 124 24.082 12.868 6.558 1.00 0.00 C ATOM 1911 C PRO A 124 24.841 14.032 7.216 1.00 0.00 C ATOM 1912 O PRO A 124 25.966 13.873 7.699 1.00 0.00 O ATOM 1913 CB PRO A 124 22.913 12.419 7.441 1.00 0.00 C ATOM 1914 CG PRO A 124 23.605 11.517 8.462 1.00 0.00 C ATOM 1915 CD PRO A 124 24.699 10.835 7.636 1.00 0.00 C ATOM 0 HA PRO A 124 23.768 13.235 5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 124 22.414 13.264 7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.155 11.881 6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 124 24.023 12.091 9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 124 22.914 10.792 8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 124 25.616 10.732 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 124 24.394 9.831 7.341 1.00 0.00 H new ATOM 1923 N SER A 125 24.208 15.200 7.307 1.00 0.00 N ATOM 1924 CA SER A 125 24.545 16.288 8.223 1.00 0.00 C ATOM 1925 C SER A 125 23.273 17.104 8.474 1.00 0.00 C ATOM 1926 O SER A 125 22.286 16.937 7.749 1.00 0.00 O ATOM 1927 CB SER A 125 25.660 17.153 7.620 1.00 0.00 C ATOM 1928 OG SER A 125 26.888 16.443 7.664 1.00 0.00 O ATOM 0 H SER A 125 23.408 15.424 6.716 1.00 0.00 H new ATOM 0 HA SER A 125 24.915 15.898 9.171 1.00 0.00 H new ATOM 0 HB2 SER A 125 25.416 17.414 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 125 25.749 18.088 8.173 1.00 0.00 H new ATOM 0 HG SER A 125 26.710 15.491 7.811 1.00 0.00 H new ATOM 1934 N SER A 126 23.282 17.966 9.487 1.00 0.00 N ATOM 1935 CA SER A 126 22.214 18.912 9.783 1.00 0.00 C ATOM 1936 C SER A 126 22.829 20.195 10.342 1.00 0.00 C ATOM 1937 O SER A 126 24.006 20.208 10.697 1.00 0.00 O ATOM 1938 CB SER A 126 21.206 18.271 10.744 1.00 0.00 C ATOM 1939 OG SER A 126 21.835 17.695 11.875 1.00 0.00 O ATOM 0 H SER A 126 24.059 18.026 10.145 1.00 0.00 H new ATOM 0 HA SER A 126 21.666 19.174 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 126 20.491 19.025 11.073 1.00 0.00 H new ATOM 0 HB3 SER A 126 20.640 17.504 10.215 1.00 0.00 H new ATOM 0 HG SER A 126 21.156 17.300 12.461 1.00 0.00 H new ATOM 1945 N GLY A 127 22.050 21.276 10.438 1.00 0.00 N ATOM 1946 CA GLY A 127 22.598 22.618 10.349 1.00 0.00 C ATOM 1947 C GLY A 127 22.884 22.824 8.888 1.00 0.00 C ATOM 1948 O GLY A 127 21.964 22.650 8.071 1.00 0.00 O ATOM 0 H GLY A 127 21.040 21.241 10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 127 21.890 23.359 10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 127 23.505 22.715 10.946 1.00 0.00 H new TER 1952 GLY A 127