USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=31 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 114 GLN : amide:sc=-0.00307 X(o=-0.036,f=-0.033) USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= -0.0332 USER MOD Set 2.1: A 69 THR OG1 : rot -78:sc= 1.26 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.0388 USER MOD Set 3.2: A 16 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ 162:sc= 0.777 (180deg=0.572) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0133 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= -0.0223 X(o=-0.022,f=-0.022) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.04) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 10:sc= 0.522 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 40 LYS NZ :NH3+ -132:sc= 0.795 (180deg=-0.125) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= 0.809 (180deg=-0.5) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0289) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 1.1 (180deg=1.08) USER MOD Single : A 50 SER OG : rot -44:sc= 0.0935 USER MOD Single : A 55 TYR OH : rot 178:sc= 0.381 USER MOD Single : A 56 ASN : amide:sc= 0.412 K(o=0.41,f=-5.1!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-0.65) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 150:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0499 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.4) USER MOD Single : A 86 CYS SG : rot -5:sc= -0.889 USER MOD Single : A 87 THR OG1 : rot 109:sc= 1.18 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 105 THR OG1 : rot 83:sc= 0.824 USER MOD Single : A 117 LYS NZ :NH3+ -137:sc= 0.402 (180deg=-1.28!) USER MOD Single : A 118 SER OG : rot 58:sc= 1.24 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -47:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.440 21.111 -9.384 1.00 0.00 N ATOM 2 CA GLY A 1 36.446 21.775 -8.540 1.00 0.00 C ATOM 3 C GLY A 1 37.340 20.676 -8.024 1.00 0.00 C ATOM 4 O GLY A 1 37.945 19.993 -8.843 1.00 0.00 O ATOM 0 H1 GLY A 1 34.628 21.747 -9.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.859 20.880 -10.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.120 20.237 -8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.016 22.506 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.973 22.313 -7.718 1.00 0.00 H new ATOM 8 N SER A 2 37.287 20.390 -6.721 1.00 0.00 N ATOM 9 CA SER A 2 37.292 18.990 -6.311 1.00 0.00 C ATOM 10 C SER A 2 35.982 18.335 -6.806 1.00 0.00 C ATOM 11 O SER A 2 35.162 18.989 -7.472 1.00 0.00 O ATOM 12 CB SER A 2 37.458 18.896 -4.784 1.00 0.00 C ATOM 13 OG SER A 2 37.853 17.589 -4.425 1.00 0.00 O ATOM 0 H SER A 2 37.242 21.074 -5.966 1.00 0.00 H new ATOM 0 HA SER A 2 38.132 18.453 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 2 38.202 19.617 -4.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.520 19.151 -4.291 1.00 0.00 H new ATOM 0 HG SER A 2 37.959 17.535 -3.452 1.00 0.00 H new ATOM 19 N SER A 3 35.786 17.065 -6.463 1.00 0.00 N ATOM 20 CA SER A 3 34.514 16.360 -6.531 1.00 0.00 C ATOM 21 C SER A 3 34.061 16.072 -5.091 1.00 0.00 C ATOM 22 O SER A 3 34.681 16.554 -4.139 1.00 0.00 O ATOM 23 CB SER A 3 34.679 15.099 -7.392 1.00 0.00 C ATOM 24 OG SER A 3 33.412 14.604 -7.775 1.00 0.00 O ATOM 0 H SER A 3 36.543 16.476 -6.116 1.00 0.00 H new ATOM 0 HA SER A 3 33.736 16.954 -7.011 1.00 0.00 H new ATOM 0 HB2 SER A 3 35.271 15.329 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.223 14.337 -6.834 1.00 0.00 H new ATOM 0 HG SER A 3 33.527 13.801 -8.325 1.00 0.00 H new ATOM 30 N GLY A 4 32.985 15.308 -4.917 1.00 0.00 N ATOM 31 CA GLY A 4 32.511 14.872 -3.616 1.00 0.00 C ATOM 32 C GLY A 4 31.656 13.621 -3.750 1.00 0.00 C ATOM 33 O GLY A 4 31.184 13.288 -4.842 1.00 0.00 O ATOM 0 H GLY A 4 32.413 14.972 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.360 14.671 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.931 15.668 -3.149 1.00 0.00 H new ATOM 37 N SER A 5 31.459 12.939 -2.623 1.00 0.00 N ATOM 38 CA SER A 5 30.590 11.780 -2.526 1.00 0.00 C ATOM 39 C SER A 5 29.133 12.233 -2.661 1.00 0.00 C ATOM 40 O SER A 5 28.374 11.616 -3.408 1.00 0.00 O ATOM 41 CB SER A 5 30.848 11.086 -1.180 1.00 0.00 C ATOM 42 OG SER A 5 30.382 9.754 -1.189 1.00 0.00 O ATOM 0 H SER A 5 31.908 13.185 -1.741 1.00 0.00 H new ATOM 0 HA SER A 5 30.795 11.068 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.916 11.098 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.354 11.641 -0.382 1.00 0.00 H new ATOM 0 HG SER A 5 30.562 9.339 -0.320 1.00 0.00 H new ATOM 48 N SER A 6 28.773 13.324 -1.967 1.00 0.00 N ATOM 49 CA SER A 6 27.416 13.826 -1.785 1.00 0.00 C ATOM 50 C SER A 6 26.456 12.665 -1.507 1.00 0.00 C ATOM 51 O SER A 6 25.796 12.135 -2.406 1.00 0.00 O ATOM 52 CB SER A 6 27.032 14.731 -2.961 1.00 0.00 C ATOM 53 OG SER A 6 27.888 15.868 -2.954 1.00 0.00 O ATOM 0 H SER A 6 29.464 13.906 -1.495 1.00 0.00 H new ATOM 0 HA SER A 6 27.350 14.462 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.128 14.190 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.990 15.041 -2.876 1.00 0.00 H new ATOM 0 HG SER A 6 27.656 16.457 -3.702 1.00 0.00 H new ATOM 59 N GLY A 7 26.441 12.238 -0.242 1.00 0.00 N ATOM 60 CA GLY A 7 25.694 11.086 0.229 1.00 0.00 C ATOM 61 C GLY A 7 24.230 11.175 -0.185 1.00 0.00 C ATOM 62 O GLY A 7 23.619 12.248 -0.147 1.00 0.00 O ATOM 0 H GLY A 7 26.966 12.703 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.134 10.174 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.765 11.022 1.315 1.00 0.00 H new ATOM 66 N MET A 8 23.704 10.038 -0.621 1.00 0.00 N ATOM 67 CA MET A 8 22.380 9.849 -1.191 1.00 0.00 C ATOM 68 C MET A 8 21.301 10.275 -0.185 1.00 0.00 C ATOM 69 O MET A 8 21.372 9.901 0.990 1.00 0.00 O ATOM 70 CB MET A 8 22.288 8.360 -1.551 1.00 0.00 C ATOM 71 CG MET A 8 21.334 8.041 -2.694 1.00 0.00 C ATOM 72 SD MET A 8 21.876 8.674 -4.303 1.00 0.00 S ATOM 73 CE MET A 8 20.782 7.715 -5.385 1.00 0.00 C ATOM 0 H MET A 8 24.229 9.164 -0.582 1.00 0.00 H new ATOM 0 HA MET A 8 22.219 10.463 -2.077 1.00 0.00 H new ATOM 0 HB2 MET A 8 23.283 8.002 -1.815 1.00 0.00 H new ATOM 0 HB3 MET A 8 21.973 7.805 -0.667 1.00 0.00 H new ATOM 0 HG2 MET A 8 21.213 6.960 -2.762 1.00 0.00 H new ATOM 0 HG3 MET A 8 20.354 8.457 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.978 7.977 -6.425 1.00 0.00 H new ATOM 0 HE2 MET A 8 20.967 6.651 -5.238 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.743 7.940 -5.143 1.00 0.00 H new ATOM 83 N ASN A 9 20.307 11.059 -0.617 1.00 0.00 N ATOM 84 CA ASN A 9 19.347 11.682 0.301 1.00 0.00 C ATOM 85 C ASN A 9 18.470 10.663 1.038 1.00 0.00 C ATOM 86 O ASN A 9 18.106 10.917 2.179 1.00 0.00 O ATOM 87 CB ASN A 9 18.449 12.689 -0.431 1.00 0.00 C ATOM 88 CG ASN A 9 17.486 13.341 0.556 1.00 0.00 C ATOM 89 OD1 ASN A 9 17.915 13.961 1.528 1.00 0.00 O ATOM 90 ND2 ASN A 9 16.185 13.189 0.369 1.00 0.00 N ATOM 0 H ASN A 9 20.146 11.278 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 9 19.949 12.201 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.061 13.452 -0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.889 12.185 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.524 13.588 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.843 12.673 -0.441 1.00 0.00 H new ATOM 97 N LYS A 10 18.160 9.536 0.395 1.00 0.00 N ATOM 98 CA LYS A 10 17.388 8.367 0.833 1.00 0.00 C ATOM 99 C LYS A 10 16.103 8.685 1.622 1.00 0.00 C ATOM 100 O LYS A 10 16.176 9.077 2.785 1.00 0.00 O ATOM 101 CB LYS A 10 18.284 7.344 1.541 1.00 0.00 C ATOM 102 CG LYS A 10 19.267 6.740 0.527 1.00 0.00 C ATOM 103 CD LYS A 10 20.034 5.535 1.071 1.00 0.00 C ATOM 104 CE LYS A 10 20.945 5.010 -0.042 1.00 0.00 C ATOM 105 NZ LYS A 10 21.572 3.722 0.298 1.00 0.00 N ATOM 0 H LYS A 10 18.483 9.403 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 10 17.013 7.912 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.831 7.823 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.675 6.558 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.718 6.440 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.979 7.507 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.623 5.821 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.342 4.758 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.365 4.897 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.723 5.746 -0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.178 3.412 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 22.149 3.833 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.833 3.010 0.467 1.00 0.00 H new ATOM 119 N PRO A 11 14.915 8.529 1.007 1.00 0.00 N ATOM 120 CA PRO A 11 13.619 8.782 1.632 1.00 0.00 C ATOM 121 C PRO A 11 13.286 7.716 2.694 1.00 0.00 C ATOM 122 O PRO A 11 14.166 7.081 3.275 1.00 0.00 O ATOM 123 CB PRO A 11 12.626 8.828 0.458 1.00 0.00 C ATOM 124 CG PRO A 11 13.218 7.789 -0.481 1.00 0.00 C ATOM 125 CD PRO A 11 14.709 8.052 -0.353 1.00 0.00 C ATOM 0 HA PRO A 11 13.590 9.716 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.613 8.571 0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.579 9.816 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.957 6.774 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.868 7.919 -1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.283 7.144 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.039 8.793 -1.081 1.00 0.00 H new ATOM 133 N LEU A 12 11.998 7.578 3.006 1.00 0.00 N ATOM 134 CA LEU A 12 11.445 6.694 4.021 1.00 0.00 C ATOM 135 C LEU A 12 11.895 5.260 3.730 1.00 0.00 C ATOM 136 O LEU A 12 11.511 4.684 2.714 1.00 0.00 O ATOM 137 CB LEU A 12 9.904 6.783 4.036 1.00 0.00 C ATOM 138 CG LEU A 12 9.251 8.155 4.316 1.00 0.00 C ATOM 139 CD1 LEU A 12 9.690 8.747 5.661 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.428 9.203 3.206 1.00 0.00 C ATOM 0 H LEU A 12 11.274 8.113 2.527 1.00 0.00 H new ATOM 0 HA LEU A 12 11.808 6.998 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.542 6.434 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.538 6.082 4.786 1.00 0.00 H new ATOM 0 HG LEU A 12 8.187 7.923 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.203 9.711 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.407 8.069 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.772 8.882 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.934 10.130 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.490 9.392 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.985 8.832 2.282 1.00 0.00 H new ATOM 152 N THR A 13 12.726 4.692 4.598 1.00 0.00 N ATOM 153 CA THR A 13 13.275 3.361 4.454 1.00 0.00 C ATOM 154 C THR A 13 12.150 2.319 4.527 1.00 0.00 C ATOM 155 O THR A 13 11.130 2.544 5.184 1.00 0.00 O ATOM 156 CB THR A 13 14.329 3.142 5.555 1.00 0.00 C ATOM 157 OG1 THR A 13 13.842 3.605 6.796 1.00 0.00 O ATOM 158 CG2 THR A 13 15.626 3.890 5.243 1.00 0.00 C ATOM 0 H THR A 13 13.042 5.165 5.445 1.00 0.00 H new ATOM 0 HA THR A 13 13.757 3.250 3.483 1.00 0.00 H new ATOM 0 HB THR A 13 14.531 2.072 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.520 3.459 7.488 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.348 3.714 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.034 3.532 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.421 4.958 5.168 1.00 0.00 H new ATOM 166 N PRO A 14 12.337 1.137 3.927 1.00 0.00 N ATOM 167 CA PRO A 14 11.288 0.136 3.788 1.00 0.00 C ATOM 168 C PRO A 14 10.837 -0.468 5.125 1.00 0.00 C ATOM 169 O PRO A 14 9.758 -1.066 5.192 1.00 0.00 O ATOM 170 CB PRO A 14 11.842 -0.910 2.818 1.00 0.00 C ATOM 171 CG PRO A 14 13.357 -0.698 2.823 1.00 0.00 C ATOM 172 CD PRO A 14 13.539 0.763 3.218 1.00 0.00 C ATOM 0 HA PRO A 14 10.374 0.588 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.584 -1.920 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.429 -0.778 1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.848 -1.365 3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.789 -0.901 1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.419 0.890 3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.684 1.390 2.338 1.00 0.00 H new ATOM 180 N SER A 15 11.616 -0.311 6.195 1.00 0.00 N ATOM 181 CA SER A 15 11.251 -0.755 7.533 1.00 0.00 C ATOM 182 C SER A 15 10.304 0.227 8.246 1.00 0.00 C ATOM 183 O SER A 15 9.647 -0.161 9.213 1.00 0.00 O ATOM 184 CB SER A 15 12.545 -0.956 8.341 1.00 0.00 C ATOM 185 OG SER A 15 13.582 -1.531 7.549 1.00 0.00 O ATOM 0 H SER A 15 12.532 0.136 6.152 1.00 0.00 H new ATOM 0 HA SER A 15 10.701 -1.693 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.879 0.003 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.342 -1.600 9.197 1.00 0.00 H new ATOM 0 HG SER A 15 14.388 -1.642 8.096 1.00 0.00 H new ATOM 191 N THR A 16 10.199 1.470 7.768 1.00 0.00 N ATOM 192 CA THR A 16 9.318 2.507 8.305 1.00 0.00 C ATOM 193 C THR A 16 7.870 2.050 8.174 1.00 0.00 C ATOM 194 O THR A 16 7.508 1.500 7.141 1.00 0.00 O ATOM 195 CB THR A 16 9.545 3.801 7.509 1.00 0.00 C ATOM 196 OG1 THR A 16 10.920 4.072 7.384 1.00 0.00 O ATOM 197 CG2 THR A 16 8.894 5.018 8.151 1.00 0.00 C ATOM 0 H THR A 16 10.745 1.792 6.969 1.00 0.00 H new ATOM 0 HA THR A 16 9.535 2.687 9.358 1.00 0.00 H new ATOM 0 HB THR A 16 9.085 3.630 6.536 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.256 3.680 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.091 5.900 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.818 4.859 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.307 5.167 9.149 1.00 0.00 H new ATOM 205 N TYR A 17 7.012 2.261 9.171 1.00 0.00 N ATOM 206 CA TYR A 17 5.623 1.858 9.069 1.00 0.00 C ATOM 207 C TYR A 17 4.872 2.768 8.102 1.00 0.00 C ATOM 208 O TYR A 17 5.269 3.910 7.890 1.00 0.00 O ATOM 209 CB TYR A 17 4.983 1.953 10.439 1.00 0.00 C ATOM 210 CG TYR A 17 5.295 0.795 11.351 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.598 0.615 11.846 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.272 -0.098 11.713 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.854 -0.404 12.771 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.511 -1.092 12.674 1.00 0.00 C ATOM 215 CZ TYR A 17 5.805 -1.230 13.227 1.00 0.00 C ATOM 216 OH TYR A 17 6.082 -2.202 14.135 1.00 0.00 O ATOM 0 H TYR A 17 7.260 2.708 10.054 1.00 0.00 H new ATOM 0 HA TYR A 17 5.576 0.835 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.311 2.876 10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.902 2.024 10.318 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.398 1.260 11.514 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.299 -0.019 11.250 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.858 -0.558 13.137 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.712 -1.747 12.989 1.00 0.00 H new ATOM 0 HH TYR A 17 5.260 -2.688 14.355 1.00 0.00 H new ATOM 226 N ILE A 18 3.711 2.321 7.620 1.00 0.00 N ATOM 227 CA ILE A 18 2.763 3.205 6.936 1.00 0.00 C ATOM 228 C ILE A 18 2.322 4.288 7.929 1.00 0.00 C ATOM 229 O ILE A 18 2.525 5.472 7.689 1.00 0.00 O ATOM 230 CB ILE A 18 1.543 2.438 6.360 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.746 0.936 6.085 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.122 3.107 5.051 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.715 0.684 4.938 1.00 0.00 C ATOM 0 H ILE A 18 3.404 1.351 7.690 1.00 0.00 H new ATOM 0 HA ILE A 18 3.257 3.658 6.076 1.00 0.00 H new ATOM 0 HB ILE A 18 0.785 2.489 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.120 0.451 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.784 0.478 5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.265 2.580 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.851 4.145 5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.950 3.074 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.825 -0.389 4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.329 1.144 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.686 1.117 5.180 1.00 0.00 H new ATOM 245 N ARG A 19 1.852 3.877 9.114 1.00 0.00 N ATOM 246 CA ARG A 19 1.385 4.726 10.218 1.00 0.00 C ATOM 247 C ARG A 19 2.443 5.690 10.761 1.00 0.00 C ATOM 248 O ARG A 19 2.150 6.469 11.670 1.00 0.00 O ATOM 249 CB ARG A 19 0.836 3.840 11.361 1.00 0.00 C ATOM 250 CG ARG A 19 1.842 2.783 11.851 1.00 0.00 C ATOM 251 CD ARG A 19 1.360 1.982 13.070 1.00 0.00 C ATOM 252 NE ARG A 19 1.810 2.586 14.331 1.00 0.00 N ATOM 253 CZ ARG A 19 3.047 2.509 14.840 1.00 0.00 C ATOM 254 NH1 ARG A 19 3.988 1.781 14.245 1.00 0.00 N ATOM 255 NH2 ARG A 19 3.340 3.141 15.971 1.00 0.00 N ATOM 0 H ARG A 19 1.784 2.885 9.341 1.00 0.00 H new ATOM 0 HA ARG A 19 0.596 5.355 9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.551 4.476 12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.069 3.338 11.019 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.054 2.092 11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.780 3.278 12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.271 1.927 13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.732 0.960 13.003 1.00 0.00 H new ATOM 0 HE ARG A 19 1.119 3.111 14.867 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.773 1.271 13.388 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.925 1.733 14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.623 3.685 16.452 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.282 3.083 16.359 1.00 0.00 H new ATOM 269 N ASN A 20 3.687 5.594 10.287 1.00 0.00 N ATOM 270 CA ASN A 20 4.731 6.536 10.654 1.00 0.00 C ATOM 271 C ASN A 20 4.720 7.761 9.730 1.00 0.00 C ATOM 272 O ASN A 20 5.121 8.860 10.134 1.00 0.00 O ATOM 273 CB ASN A 20 6.094 5.836 10.602 1.00 0.00 C ATOM 274 CG ASN A 20 7.228 6.794 10.921 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.826 7.390 10.031 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.522 6.983 12.192 1.00 0.00 N ATOM 0 H ASN A 20 3.992 4.864 9.643 1.00 0.00 H new ATOM 0 HA ASN A 20 4.544 6.886 11.669 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.106 5.009 11.311 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.246 5.408 9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.261 7.636 12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.011 6.476 12.915 1.00 0.00 H new ATOM 283 N LEU A 21 4.298 7.571 8.477 1.00 0.00 N ATOM 284 CA LEU A 21 4.558 8.474 7.368 1.00 0.00 C ATOM 285 C LEU A 21 3.745 9.752 7.509 1.00 0.00 C ATOM 286 O LEU A 21 2.583 9.717 7.915 1.00 0.00 O ATOM 287 CB LEU A 21 4.205 7.804 6.029 1.00 0.00 C ATOM 288 CG LEU A 21 4.969 6.514 5.633 1.00 0.00 C ATOM 289 CD1 LEU A 21 5.070 6.483 4.110 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.386 6.472 6.212 1.00 0.00 C ATOM 0 H LEU A 21 3.749 6.756 8.205 1.00 0.00 H new ATOM 0 HA LEU A 21 5.620 8.718 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.141 7.570 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.359 8.538 5.238 1.00 0.00 H new ATOM 0 HG LEU A 21 4.424 5.658 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.604 5.585 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.069 6.478 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.610 7.364 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.877 5.549 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.955 7.326 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.336 6.512 7.300 1.00 0.00 H new ATOM 302 N ASN A 22 4.352 10.887 7.156 1.00 0.00 N ATOM 303 CA ASN A 22 3.718 12.184 7.350 1.00 0.00 C ATOM 304 C ASN A 22 2.567 12.365 6.369 1.00 0.00 C ATOM 305 O ASN A 22 2.626 11.876 5.241 1.00 0.00 O ATOM 306 CB ASN A 22 4.729 13.329 7.177 1.00 0.00 C ATOM 307 CG ASN A 22 4.562 14.309 8.319 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.302 14.261 9.294 1.00 0.00 O ATOM 309 ND2 ASN A 22 3.591 15.202 8.253 1.00 0.00 N ATOM 0 H ASN A 22 5.280 10.930 6.735 1.00 0.00 H new ATOM 0 HA ASN A 22 3.332 12.215 8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.745 12.935 7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.570 13.831 6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.451 15.861 9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.981 15.233 7.436 1.00 0.00 H new ATOM 316 N VAL A 23 1.565 13.162 6.734 1.00 0.00 N ATOM 317 CA VAL A 23 0.411 13.413 5.892 1.00 0.00 C ATOM 318 C VAL A 23 0.773 14.071 4.544 1.00 0.00 C ATOM 319 O VAL A 23 0.085 13.822 3.558 1.00 0.00 O ATOM 320 CB VAL A 23 -0.653 14.138 6.733 1.00 0.00 C ATOM 321 CG1 VAL A 23 -0.197 15.511 7.231 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.967 14.248 5.969 1.00 0.00 C ATOM 0 H VAL A 23 1.536 13.652 7.628 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.028 12.472 5.562 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.810 13.526 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.994 15.968 7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.691 15.396 7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.037 16.148 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.704 14.764 6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.807 14.809 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.332 13.250 5.727 1.00 0.00 H new ATOM 332 N GLY A 24 1.891 14.800 4.425 1.00 0.00 N ATOM 333 CA GLY A 24 2.364 15.274 3.128 1.00 0.00 C ATOM 334 C GLY A 24 2.743 14.106 2.218 1.00 0.00 C ATOM 335 O GLY A 24 2.359 14.082 1.050 1.00 0.00 O ATOM 0 H GLY A 24 2.480 15.071 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.588 15.873 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.227 15.924 3.268 1.00 0.00 H new ATOM 339 N ILE A 25 3.451 13.107 2.756 1.00 0.00 N ATOM 340 CA ILE A 25 3.824 11.886 2.048 1.00 0.00 C ATOM 341 C ILE A 25 2.553 11.124 1.662 1.00 0.00 C ATOM 342 O ILE A 25 2.482 10.544 0.579 1.00 0.00 O ATOM 343 CB ILE A 25 4.778 11.023 2.885 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.926 11.860 3.473 1.00 0.00 C ATOM 345 CG2 ILE A 25 5.365 9.879 2.039 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.723 12.739 2.503 1.00 0.00 C ATOM 0 H ILE A 25 3.787 13.129 3.719 1.00 0.00 H new ATOM 0 HA ILE A 25 4.366 12.147 1.139 1.00 0.00 H new ATOM 0 HB ILE A 25 4.195 10.605 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.511 12.504 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.623 11.180 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.038 9.281 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.557 9.249 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.917 10.296 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.500 13.273 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.183 12.113 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.054 13.457 2.029 1.00 0.00 H new ATOM 358 N LEU A 26 1.537 11.134 2.531 1.00 0.00 N ATOM 359 CA LEU A 26 0.239 10.536 2.248 1.00 0.00 C ATOM 360 C LEU A 26 -0.437 11.221 1.078 1.00 0.00 C ATOM 361 O LEU A 26 -0.907 10.530 0.175 1.00 0.00 O ATOM 362 CB LEU A 26 -0.676 10.560 3.483 1.00 0.00 C ATOM 363 CG LEU A 26 -0.436 9.380 4.431 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.172 9.609 5.764 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.936 8.099 3.752 1.00 0.00 C ATOM 0 H LEU A 26 1.598 11.561 3.455 1.00 0.00 H new ATOM 0 HA LEU A 26 0.417 9.494 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.520 11.492 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.716 10.551 3.158 1.00 0.00 H new ATOM 0 HG LEU A 26 0.628 9.288 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.993 8.763 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.803 10.522 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.242 9.704 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.772 7.249 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.001 8.193 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.391 7.944 2.821 1.00 0.00 H new ATOM 377 N ARG A 27 -0.492 12.552 1.070 1.00 0.00 N ATOM 378 CA ARG A 27 -1.085 13.282 -0.039 1.00 0.00 C ATOM 379 C ARG A 27 -0.335 12.996 -1.328 1.00 0.00 C ATOM 380 O ARG A 27 -0.977 12.729 -2.347 1.00 0.00 O ATOM 381 CB ARG A 27 -1.202 14.779 0.273 1.00 0.00 C ATOM 382 CG ARG A 27 -2.305 14.990 1.322 1.00 0.00 C ATOM 383 CD ARG A 27 -3.069 16.300 1.149 1.00 0.00 C ATOM 384 NE ARG A 27 -2.455 17.419 1.881 1.00 0.00 N ATOM 385 CZ ARG A 27 -2.038 18.576 1.356 1.00 0.00 C ATOM 386 NH1 ARG A 27 -1.894 18.722 0.045 1.00 0.00 N ATOM 387 NH2 ARG A 27 -1.761 19.602 2.150 1.00 0.00 N ATOM 0 H ARG A 27 -0.132 13.142 1.820 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.106 12.929 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.251 15.161 0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.435 15.335 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.008 14.159 1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.859 14.968 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.119 16.549 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.094 16.166 1.493 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.336 17.301 2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.103 17.944 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.575 19.612 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.866 19.508 3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.443 20.485 1.750 1.00 0.00 H new ATOM 401 N LYS A 28 1.000 12.994 -1.289 1.00 0.00 N ATOM 402 CA LYS A 28 1.827 12.617 -2.431 1.00 0.00 C ATOM 403 C LYS A 28 1.423 11.240 -2.954 1.00 0.00 C ATOM 404 O LYS A 28 1.096 11.115 -4.126 1.00 0.00 O ATOM 405 CB LYS A 28 3.307 12.660 -2.060 1.00 0.00 C ATOM 406 CG LYS A 28 3.829 14.091 -1.863 1.00 0.00 C ATOM 407 CD LYS A 28 5.036 14.363 -2.766 1.00 0.00 C ATOM 408 CE LYS A 28 4.594 14.750 -4.185 1.00 0.00 C ATOM 409 NZ LYS A 28 4.261 16.187 -4.307 1.00 0.00 N ATOM 0 H LYS A 28 1.536 13.255 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 28 1.665 13.338 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.464 12.091 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.887 12.171 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.036 14.805 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.109 14.240 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.639 15.164 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.668 13.476 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.389 14.504 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.725 14.155 -4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.969 16.394 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.483 16.420 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.096 16.758 -4.067 1.00 0.00 H new ATOM 423 N LEU A 29 1.412 10.220 -2.096 1.00 0.00 N ATOM 424 CA LEU A 29 0.923 8.880 -2.421 1.00 0.00 C ATOM 425 C LEU A 29 -0.441 8.895 -3.108 1.00 0.00 C ATOM 426 O LEU A 29 -0.575 8.352 -4.203 1.00 0.00 O ATOM 427 CB LEU A 29 0.863 8.025 -1.142 1.00 0.00 C ATOM 428 CG LEU A 29 2.014 7.028 -0.996 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.794 5.815 -1.902 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.404 7.628 -1.228 1.00 0.00 C ATOM 0 H LEU A 29 1.749 10.304 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 29 1.626 8.444 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.860 8.687 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.080 7.478 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 29 2.000 6.716 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.623 5.117 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.862 5.321 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.740 6.142 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.160 6.853 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.461 8.034 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.581 8.425 -0.506 1.00 0.00 H new ATOM 442 N SER A 30 -1.456 9.499 -2.487 1.00 0.00 N ATOM 443 CA SER A 30 -2.807 9.487 -3.038 1.00 0.00 C ATOM 444 C SER A 30 -2.887 10.164 -4.400 1.00 0.00 C ATOM 445 O SER A 30 -3.802 9.871 -5.164 1.00 0.00 O ATOM 446 CB SER A 30 -3.789 10.128 -2.061 1.00 0.00 C ATOM 447 OG SER A 30 -3.325 11.366 -1.558 1.00 0.00 O ATOM 0 H SER A 30 -1.366 10.001 -1.604 1.00 0.00 H new ATOM 0 HA SER A 30 -3.082 8.443 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.746 10.278 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.967 9.446 -1.230 1.00 0.00 H new ATOM 0 HG SER A 30 -2.531 11.646 -2.060 1.00 0.00 H new ATOM 453 N ASP A 31 -1.947 11.051 -4.719 1.00 0.00 N ATOM 454 CA ASP A 31 -1.890 11.720 -6.012 1.00 0.00 C ATOM 455 C ASP A 31 -1.686 10.723 -7.154 1.00 0.00 C ATOM 456 O ASP A 31 -1.992 11.043 -8.302 1.00 0.00 O ATOM 457 CB ASP A 31 -0.758 12.750 -5.987 1.00 0.00 C ATOM 458 CG ASP A 31 -1.025 13.952 -6.880 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.181 14.436 -6.936 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.041 14.547 -7.372 1.00 0.00 O ATOM 0 H ASP A 31 -1.200 11.326 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.842 12.220 -6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.609 13.092 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.169 12.270 -6.301 1.00 0.00 H new ATOM 465 N PHE A 32 -1.193 9.519 -6.838 1.00 0.00 N ATOM 466 CA PHE A 32 -1.103 8.383 -7.742 1.00 0.00 C ATOM 467 C PHE A 32 -2.105 7.255 -7.437 1.00 0.00 C ATOM 468 O PHE A 32 -2.416 6.505 -8.360 1.00 0.00 O ATOM 469 CB PHE A 32 0.329 7.835 -7.716 1.00 0.00 C ATOM 470 CG PHE A 32 1.437 8.854 -7.937 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.386 9.733 -9.036 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.531 8.918 -7.050 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.407 10.678 -9.234 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.561 9.851 -7.265 1.00 0.00 C ATOM 475 CZ PHE A 32 3.492 10.744 -8.346 1.00 0.00 C ATOM 0 H PHE A 32 -0.834 9.309 -5.907 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.365 8.750 -8.734 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.494 7.351 -6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.415 7.062 -8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.559 9.681 -9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.578 8.249 -6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.357 11.356 -10.073 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.408 9.881 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.270 11.478 -8.494 1.00 0.00 H new ATOM 485 N ILE A 33 -2.564 7.078 -6.186 1.00 0.00 N ATOM 486 CA ILE A 33 -3.295 5.880 -5.724 1.00 0.00 C ATOM 487 C ILE A 33 -4.817 6.074 -5.660 1.00 0.00 C ATOM 488 O ILE A 33 -5.571 5.120 -5.854 1.00 0.00 O ATOM 489 CB ILE A 33 -2.768 5.439 -4.337 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.265 5.090 -4.340 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.542 4.247 -3.747 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.923 3.767 -5.032 1.00 0.00 C ATOM 0 H ILE A 33 -2.436 7.775 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.110 5.104 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.928 6.315 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.719 5.895 -4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.912 5.049 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.124 3.987 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.592 4.517 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.460 3.392 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.153 3.601 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.438 2.949 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.241 3.808 -6.074 1.00 0.00 H new ATOM 504 N ASP A 34 -5.284 7.269 -5.302 1.00 0.00 N ATOM 505 CA ASP A 34 -6.715 7.566 -5.244 1.00 0.00 C ATOM 506 C ASP A 34 -7.347 7.466 -6.638 1.00 0.00 C ATOM 507 O ASP A 34 -8.343 6.748 -6.761 1.00 0.00 O ATOM 508 CB ASP A 34 -6.970 8.897 -4.514 1.00 0.00 C ATOM 509 CG ASP A 34 -8.022 9.813 -5.133 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.208 9.432 -5.249 1.00 0.00 O ATOM 511 OD2 ASP A 34 -7.649 10.971 -5.429 1.00 0.00 O ATOM 0 H ASP A 34 -4.686 8.054 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.222 6.811 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.269 8.674 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.029 9.444 -4.459 1.00 0.00 H new ATOM 516 N PRO A 35 -6.805 8.110 -7.688 1.00 0.00 N ATOM 517 CA PRO A 35 -7.272 7.864 -9.044 1.00 0.00 C ATOM 518 C PRO A 35 -6.838 6.466 -9.513 1.00 0.00 C ATOM 519 O PRO A 35 -5.991 5.823 -8.887 1.00 0.00 O ATOM 520 CB PRO A 35 -6.680 9.006 -9.875 1.00 0.00 C ATOM 521 CG PRO A 35 -5.390 9.368 -9.145 1.00 0.00 C ATOM 522 CD PRO A 35 -5.692 9.050 -7.684 1.00 0.00 C ATOM 0 HA PRO A 35 -8.358 7.858 -9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.483 8.692 -10.900 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.361 9.856 -9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.546 8.786 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.136 10.419 -9.281 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.820 8.617 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.951 9.955 -7.135 1.00 0.00 H new ATOM 530 N GLN A 36 -7.380 6.002 -10.644 1.00 0.00 N ATOM 531 CA GLN A 36 -7.029 4.728 -11.284 1.00 0.00 C ATOM 532 C GLN A 36 -7.291 3.505 -10.369 1.00 0.00 C ATOM 533 O GLN A 36 -6.693 2.447 -10.576 1.00 0.00 O ATOM 534 CB GLN A 36 -5.574 4.778 -11.812 1.00 0.00 C ATOM 535 CG GLN A 36 -5.161 6.049 -12.585 1.00 0.00 C ATOM 536 CD GLN A 36 -3.645 6.246 -12.616 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.865 5.294 -12.661 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.175 7.485 -12.600 1.00 0.00 N ATOM 0 H GLN A 36 -8.097 6.517 -11.155 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.692 4.590 -12.138 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.900 4.661 -10.964 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.418 3.918 -12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.538 5.988 -13.606 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.628 6.919 -12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.820 8.275 -12.563 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.169 7.649 -12.625 1.00 0.00 H new ATOM 547 N GLU A 37 -8.162 3.646 -9.356 1.00 0.00 N ATOM 548 CA GLU A 37 -8.539 2.632 -8.355 1.00 0.00 C ATOM 549 C GLU A 37 -7.331 1.941 -7.693 1.00 0.00 C ATOM 550 O GLU A 37 -7.421 0.803 -7.229 1.00 0.00 O ATOM 551 CB GLU A 37 -9.566 1.649 -8.958 1.00 0.00 C ATOM 552 CG GLU A 37 -10.972 2.257 -9.014 1.00 0.00 C ATOM 553 CD GLU A 37 -11.804 1.689 -10.176 1.00 0.00 C ATOM 554 OE1 GLU A 37 -11.714 2.224 -11.304 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.551 0.700 -9.985 1.00 0.00 O ATOM 0 H GLU A 37 -8.653 4.527 -9.204 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.024 3.146 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.252 1.367 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.588 0.736 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.487 2.065 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.894 3.339 -9.120 1.00 0.00 H new ATOM 562 N GLY A 38 -6.189 2.622 -7.593 1.00 0.00 N ATOM 563 CA GLY A 38 -4.987 2.052 -6.995 1.00 0.00 C ATOM 564 C GLY A 38 -5.217 1.634 -5.550 1.00 0.00 C ATOM 565 O GLY A 38 -4.685 0.613 -5.117 1.00 0.00 O ATOM 0 H GLY A 38 -6.074 3.580 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.667 1.188 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.179 2.782 -7.038 1.00 0.00 H new ATOM 569 N TRP A 39 -6.034 2.377 -4.800 1.00 0.00 N ATOM 570 CA TRP A 39 -6.429 2.029 -3.450 1.00 0.00 C ATOM 571 C TRP A 39 -7.095 0.657 -3.406 1.00 0.00 C ATOM 572 O TRP A 39 -6.719 -0.179 -2.584 1.00 0.00 O ATOM 573 CB TRP A 39 -7.369 3.094 -2.894 1.00 0.00 C ATOM 574 CG TRP A 39 -8.715 3.235 -3.550 1.00 0.00 C ATOM 575 CD1 TRP A 39 -9.010 4.000 -4.626 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.958 2.551 -3.194 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.345 3.844 -4.949 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.983 2.975 -4.085 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.302 1.556 -2.252 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.291 2.468 -3.998 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.609 1.046 -2.163 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.617 1.536 -3.003 1.00 0.00 C ATOM 0 H TRP A 39 -6.443 3.252 -5.128 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.533 1.984 -2.831 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.529 2.884 -1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.862 4.057 -2.954 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.311 4.634 -5.151 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.803 4.313 -5.730 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.542 1.178 -1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -13.045 2.797 -4.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.837 0.273 -1.444 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.636 1.199 -2.885 1.00 0.00 H new ATOM 593 N LYS A 40 -8.054 0.410 -4.309 1.00 0.00 N ATOM 594 CA LYS A 40 -8.740 -0.869 -4.423 1.00 0.00 C ATOM 595 C LYS A 40 -7.701 -1.943 -4.643 1.00 0.00 C ATOM 596 O LYS A 40 -7.748 -2.973 -3.982 1.00 0.00 O ATOM 597 CB LYS A 40 -9.759 -0.876 -5.585 1.00 0.00 C ATOM 598 CG LYS A 40 -11.175 -0.573 -5.125 1.00 0.00 C ATOM 599 CD LYS A 40 -12.287 -1.124 -6.017 1.00 0.00 C ATOM 600 CE LYS A 40 -12.795 -0.021 -6.933 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.907 -0.464 -7.784 1.00 0.00 N ATOM 0 H LYS A 40 -8.373 1.105 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.300 -1.051 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.458 -0.140 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.741 -1.850 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.306 -0.975 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.292 0.508 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.913 -1.959 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.103 -1.507 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.119 0.827 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.977 0.329 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.726 -0.179 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.992 -1.499 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.792 -0.028 -7.454 1.00 0.00 H new ATOM 615 N LYS A 41 -6.762 -1.694 -5.553 1.00 0.00 N ATOM 616 CA LYS A 41 -5.796 -2.686 -5.992 1.00 0.00 C ATOM 617 C LYS A 41 -4.892 -3.043 -4.823 1.00 0.00 C ATOM 618 O LYS A 41 -4.690 -4.219 -4.547 1.00 0.00 O ATOM 619 CB LYS A 41 -5.044 -2.173 -7.211 1.00 0.00 C ATOM 620 CG LYS A 41 -5.987 -2.051 -8.414 1.00 0.00 C ATOM 621 CD LYS A 41 -5.309 -1.226 -9.516 1.00 0.00 C ATOM 622 CE LYS A 41 -4.574 -2.170 -10.478 1.00 0.00 C ATOM 623 NZ LYS A 41 -3.656 -1.473 -11.410 1.00 0.00 N ATOM 0 H LYS A 41 -6.653 -0.788 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.292 -3.604 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.601 -1.202 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.225 -2.850 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.242 -3.041 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.920 -1.576 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.053 -0.642 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.607 -0.518 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.005 -2.896 -9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.309 -2.730 -11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.929 -1.686 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.713 -0.447 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.681 -1.796 -11.244 1.00 0.00 H new ATOM 637 N LEU A 42 -4.374 -2.040 -4.110 1.00 0.00 N ATOM 638 CA LEU A 42 -3.567 -2.210 -2.924 1.00 0.00 C ATOM 639 C LEU A 42 -4.336 -3.023 -1.881 1.00 0.00 C ATOM 640 O LEU A 42 -3.847 -4.060 -1.449 1.00 0.00 O ATOM 641 CB LEU A 42 -3.164 -0.803 -2.460 1.00 0.00 C ATOM 642 CG LEU A 42 -2.072 -0.696 -1.388 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.657 -0.352 -0.018 1.00 0.00 C ATOM 644 CD2 LEU A 42 -1.114 -1.889 -1.299 1.00 0.00 C ATOM 0 H LEU A 42 -4.516 -1.061 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.658 -2.782 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.833 -0.243 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.057 -0.305 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.449 0.131 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.853 -0.285 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.177 0.604 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.359 -1.130 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.383 -1.710 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.679 -2.793 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.598 -2.013 -2.251 1.00 0.00 H new ATOM 656 N ALA A 43 -5.549 -2.599 -1.519 1.00 0.00 N ATOM 657 CA ALA A 43 -6.429 -3.323 -0.612 1.00 0.00 C ATOM 658 C ALA A 43 -6.579 -4.807 -0.982 1.00 0.00 C ATOM 659 O ALA A 43 -6.291 -5.662 -0.143 1.00 0.00 O ATOM 660 CB ALA A 43 -7.782 -2.616 -0.564 1.00 0.00 C ATOM 0 H ALA A 43 -5.951 -1.725 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.977 -3.316 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.448 -3.151 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.646 -1.595 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.218 -2.597 -1.563 1.00 0.00 H new ATOM 666 N VAL A 44 -7.017 -5.147 -2.201 1.00 0.00 N ATOM 667 CA VAL A 44 -7.214 -6.536 -2.589 1.00 0.00 C ATOM 668 C VAL A 44 -5.883 -7.297 -2.637 1.00 0.00 C ATOM 669 O VAL A 44 -5.852 -8.499 -2.373 1.00 0.00 O ATOM 670 CB VAL A 44 -8.009 -6.631 -3.908 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.423 -6.044 -3.750 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.341 -6.053 -5.169 1.00 0.00 C ATOM 0 H VAL A 44 -7.240 -4.472 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.816 -7.026 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.049 -7.705 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.958 -6.125 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.962 -6.595 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.351 -4.995 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.004 -6.184 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.143 -4.991 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.402 -6.574 -5.355 1.00 0.00 H new ATOM 682 N ALA A 45 -4.769 -6.611 -2.911 1.00 0.00 N ATOM 683 CA ALA A 45 -3.456 -7.236 -2.947 1.00 0.00 C ATOM 684 C ALA A 45 -2.971 -7.588 -1.535 1.00 0.00 C ATOM 685 O ALA A 45 -2.248 -8.571 -1.380 1.00 0.00 O ATOM 686 CB ALA A 45 -2.465 -6.328 -3.684 1.00 0.00 C ATOM 0 H ALA A 45 -4.758 -5.611 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.527 -8.174 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.484 -6.803 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.812 -6.163 -4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.393 -5.372 -3.166 1.00 0.00 H new ATOM 692 N ILE A 46 -3.359 -6.829 -0.501 1.00 0.00 N ATOM 693 CA ILE A 46 -3.009 -7.120 0.889 1.00 0.00 C ATOM 694 C ILE A 46 -3.842 -8.319 1.346 1.00 0.00 C ATOM 695 O ILE A 46 -4.899 -8.178 1.966 1.00 0.00 O ATOM 696 CB ILE A 46 -3.201 -5.895 1.813 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.317 -4.709 1.390 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.824 -6.246 3.266 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.874 -3.356 1.832 1.00 0.00 C ATOM 0 H ILE A 46 -3.929 -5.990 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.948 -7.362 0.952 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.252 -5.618 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.320 -4.839 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.209 -4.713 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.966 -5.371 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.459 -7.058 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.780 -6.558 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.204 -2.562 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.859 -3.206 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.956 -3.334 2.919 1.00 0.00 H new ATOM 711 N LYS A 47 -3.346 -9.521 1.076 1.00 0.00 N ATOM 712 CA LYS A 47 -3.828 -10.690 1.795 1.00 0.00 C ATOM 713 C LYS A 47 -3.248 -10.660 3.213 1.00 0.00 C ATOM 714 O LYS A 47 -2.412 -9.821 3.566 1.00 0.00 O ATOM 715 CB LYS A 47 -3.524 -11.982 1.010 1.00 0.00 C ATOM 716 CG LYS A 47 -4.675 -12.395 0.065 1.00 0.00 C ATOM 717 CD LYS A 47 -5.093 -11.364 -0.993 1.00 0.00 C ATOM 718 CE LYS A 47 -3.964 -11.035 -1.970 1.00 0.00 C ATOM 719 NZ LYS A 47 -3.611 -12.182 -2.823 1.00 0.00 N ATOM 0 H LYS A 47 -2.625 -9.708 0.379 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.914 -10.673 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.614 -11.841 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.330 -12.792 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.384 -13.312 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.548 -12.633 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.950 -11.745 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.417 -10.449 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.263 -10.196 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.084 -10.716 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.902 -11.888 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.220 -12.945 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.462 -12.525 -3.314 1.00 0.00 H new ATOM 733 N LYS A 48 -3.758 -11.530 4.075 1.00 0.00 N ATOM 734 CA LYS A 48 -3.166 -11.885 5.350 1.00 0.00 C ATOM 735 C LYS A 48 -2.021 -12.865 5.098 1.00 0.00 C ATOM 736 O LYS A 48 -2.011 -13.539 4.070 1.00 0.00 O ATOM 737 CB LYS A 48 -4.222 -12.571 6.222 1.00 0.00 C ATOM 738 CG LYS A 48 -5.285 -11.602 6.725 1.00 0.00 C ATOM 739 CD LYS A 48 -6.273 -12.318 7.647 1.00 0.00 C ATOM 740 CE LYS A 48 -7.655 -11.663 7.559 1.00 0.00 C ATOM 741 NZ LYS A 48 -8.698 -12.471 8.223 1.00 0.00 N ATOM 0 H LYS A 48 -4.631 -12.026 3.894 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.797 -10.991 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.701 -13.365 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.733 -13.043 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.811 -10.779 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.818 -11.167 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.343 -13.370 7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.912 -12.284 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.617 -10.675 8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.921 -11.519 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.595 -11.944 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.825 -13.365 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.410 -12.673 9.202 1.00 0.00 H new ATOM 755 N PRO A 49 -1.131 -13.072 6.077 1.00 0.00 N ATOM 756 CA PRO A 49 -0.052 -14.049 5.992 1.00 0.00 C ATOM 757 C PRO A 49 -0.558 -15.487 5.832 1.00 0.00 C ATOM 758 O PRO A 49 0.152 -16.310 5.254 1.00 0.00 O ATOM 759 CB PRO A 49 0.748 -13.875 7.287 1.00 0.00 C ATOM 760 CG PRO A 49 0.437 -12.434 7.676 1.00 0.00 C ATOM 761 CD PRO A 49 -1.039 -12.344 7.321 1.00 0.00 C ATOM 0 HA PRO A 49 0.557 -13.877 5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.433 -14.580 8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.815 -14.031 7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.618 -12.245 8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.039 -11.718 7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.666 -12.789 8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.362 -11.309 7.206 1.00 0.00 H new ATOM 769 N SER A 50 -1.766 -15.787 6.324 1.00 0.00 N ATOM 770 CA SER A 50 -2.450 -17.068 6.169 1.00 0.00 C ATOM 771 C SER A 50 -3.419 -17.070 4.967 1.00 0.00 C ATOM 772 O SER A 50 -4.213 -17.999 4.835 1.00 0.00 O ATOM 773 CB SER A 50 -3.142 -17.411 7.498 1.00 0.00 C ATOM 774 OG SER A 50 -3.480 -18.780 7.602 1.00 0.00 O ATOM 0 H SER A 50 -2.312 -15.114 6.862 1.00 0.00 H new ATOM 0 HA SER A 50 -1.723 -17.847 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.486 -17.140 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.046 -16.810 7.598 1.00 0.00 H new ATOM 0 HG SER A 50 -3.871 -19.085 6.757 1.00 0.00 H new ATOM 780 N GLY A 51 -3.364 -16.066 4.084 1.00 0.00 N ATOM 781 CA GLY A 51 -3.905 -16.113 2.729 1.00 0.00 C ATOM 782 C GLY A 51 -5.276 -15.462 2.544 1.00 0.00 C ATOM 783 O GLY A 51 -5.664 -15.235 1.403 1.00 0.00 O ATOM 0 H GLY A 51 -2.927 -15.171 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.198 -15.627 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.973 -17.156 2.420 1.00 0.00 H new ATOM 787 N ASP A 52 -5.997 -15.134 3.621 1.00 0.00 N ATOM 788 CA ASP A 52 -7.295 -14.452 3.541 1.00 0.00 C ATOM 789 C ASP A 52 -7.122 -13.090 2.876 1.00 0.00 C ATOM 790 O ASP A 52 -6.081 -12.467 3.066 1.00 0.00 O ATOM 791 CB ASP A 52 -7.848 -14.085 4.924 1.00 0.00 C ATOM 792 CG ASP A 52 -8.085 -15.168 5.961 1.00 0.00 C ATOM 793 OD1 ASP A 52 -7.305 -16.139 6.052 1.00 0.00 O ATOM 794 OD2 ASP A 52 -8.985 -14.932 6.801 1.00 0.00 O ATOM 0 H ASP A 52 -5.697 -15.334 4.575 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.950 -15.139 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.164 -13.360 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.798 -13.573 4.768 1.00 0.00 H new ATOM 799 N ASP A 53 -8.176 -12.511 2.299 1.00 0.00 N ATOM 800 CA ASP A 53 -8.243 -11.051 2.143 1.00 0.00 C ATOM 801 C ASP A 53 -8.102 -10.415 3.530 1.00 0.00 C ATOM 802 O ASP A 53 -8.852 -10.785 4.442 1.00 0.00 O ATOM 803 CB ASP A 53 -9.607 -10.600 1.587 1.00 0.00 C ATOM 804 CG ASP A 53 -9.694 -10.499 0.071 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.810 -9.882 -0.568 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.717 -10.979 -0.469 1.00 0.00 O ATOM 0 H ASP A 53 -8.984 -13.017 1.936 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.453 -10.749 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.369 -11.298 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.850 -9.627 2.013 1.00 0.00 H new ATOM 811 N ARG A 54 -7.226 -9.421 3.721 1.00 0.00 N ATOM 812 CA ARG A 54 -7.478 -8.447 4.791 1.00 0.00 C ATOM 813 C ARG A 54 -8.732 -7.652 4.429 1.00 0.00 C ATOM 814 O ARG A 54 -9.715 -7.672 5.175 1.00 0.00 O ATOM 815 CB ARG A 54 -6.264 -7.532 5.073 1.00 0.00 C ATOM 816 CG ARG A 54 -5.167 -8.329 5.797 1.00 0.00 C ATOM 817 CD ARG A 54 -4.114 -7.479 6.511 1.00 0.00 C ATOM 818 NE ARG A 54 -3.095 -8.312 7.187 1.00 0.00 N ATOM 819 CZ ARG A 54 -1.798 -8.424 6.863 1.00 0.00 C ATOM 820 NH1 ARG A 54 -1.352 -8.056 5.667 1.00 0.00 N ATOM 821 NH2 ARG A 54 -0.953 -8.920 7.755 1.00 0.00 N ATOM 0 H ARG A 54 -6.375 -9.272 3.178 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.641 -8.983 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.876 -7.129 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.571 -6.682 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.639 -8.986 6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.665 -8.969 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.626 -6.824 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.602 -6.837 7.244 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.413 -8.861 7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.000 -7.680 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.362 -8.150 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.292 -9.210 8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.036 -9.012 7.524 1.00 0.00 H new ATOM 835 N TYR A 55 -8.742 -7.008 3.266 1.00 0.00 N ATOM 836 CA TYR A 55 -9.753 -6.043 2.866 1.00 0.00 C ATOM 837 C TYR A 55 -10.748 -6.687 1.912 1.00 0.00 C ATOM 838 O TYR A 55 -10.708 -6.485 0.700 1.00 0.00 O ATOM 839 CB TYR A 55 -9.081 -4.805 2.274 1.00 0.00 C ATOM 840 CG TYR A 55 -8.140 -4.139 3.252 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.658 -3.366 4.306 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.758 -4.382 3.168 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.797 -2.815 5.267 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.890 -3.842 4.130 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.411 -3.048 5.176 1.00 0.00 C ATOM 846 OH TYR A 55 -5.585 -2.502 6.101 1.00 0.00 O ATOM 0 H TYR A 55 -8.023 -7.150 2.556 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.320 -5.717 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.529 -5.088 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.846 -4.092 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.722 -3.196 4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.364 -4.984 2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.195 -2.215 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.829 -4.033 4.071 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.663 -2.781 5.921 1.00 0.00 H new ATOM 856 N ASN A 56 -11.679 -7.448 2.486 1.00 0.00 N ATOM 857 CA ASN A 56 -12.813 -8.009 1.753 1.00 0.00 C ATOM 858 C ASN A 56 -13.710 -6.900 1.189 1.00 0.00 C ATOM 859 O ASN A 56 -13.552 -5.720 1.523 1.00 0.00 O ATOM 860 CB ASN A 56 -13.664 -8.879 2.691 1.00 0.00 C ATOM 861 CG ASN A 56 -14.105 -10.163 2.010 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.635 -10.134 0.903 1.00 0.00 O ATOM 863 ND2 ASN A 56 -13.914 -11.296 2.661 1.00 0.00 N ATOM 0 H ASN A 56 -11.668 -7.694 3.476 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.413 -8.605 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.091 -9.119 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.541 -8.318 3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.210 -12.179 2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.471 -11.288 3.580 1.00 0.00 H new ATOM 870 N GLN A 57 -14.772 -7.282 0.475 1.00 0.00 N ATOM 871 CA GLN A 57 -15.789 -6.344 0.014 1.00 0.00 C ATOM 872 C GLN A 57 -16.360 -5.483 1.139 1.00 0.00 C ATOM 873 O GLN A 57 -16.531 -4.282 0.942 1.00 0.00 O ATOM 874 CB GLN A 57 -16.921 -7.059 -0.726 1.00 0.00 C ATOM 875 CG GLN A 57 -16.506 -7.412 -2.153 1.00 0.00 C ATOM 876 CD GLN A 57 -17.622 -8.164 -2.863 1.00 0.00 C ATOM 877 OE1 GLN A 57 -18.700 -7.619 -3.082 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.410 -9.429 -3.187 1.00 0.00 N ATOM 0 H GLN A 57 -14.947 -8.249 0.203 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.280 -5.676 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.195 -7.967 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.805 -6.422 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.265 -6.502 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.603 -8.022 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.506 -9.860 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.151 -9.973 -3.629 1.00 0.00 H new ATOM 887 N PHE A 58 -16.553 -6.056 2.331 1.00 0.00 N ATOM 888 CA PHE A 58 -17.032 -5.347 3.516 1.00 0.00 C ATOM 889 C PHE A 58 -16.238 -4.059 3.802 1.00 0.00 C ATOM 890 O PHE A 58 -16.778 -3.104 4.356 1.00 0.00 O ATOM 891 CB PHE A 58 -16.967 -6.317 4.710 1.00 0.00 C ATOM 892 CG PHE A 58 -17.699 -5.839 5.944 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.100 -5.953 6.015 1.00 0.00 C ATOM 894 CD2 PHE A 58 -16.981 -5.295 7.025 1.00 0.00 C ATOM 895 CE1 PHE A 58 -19.784 -5.515 7.163 1.00 0.00 C ATOM 896 CE2 PHE A 58 -17.669 -4.837 8.161 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.068 -4.947 8.230 1.00 0.00 C ATOM 0 H PHE A 58 -16.376 -7.046 2.500 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.058 -5.024 3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.383 -7.277 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -15.922 -6.489 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.650 -6.377 5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -15.904 -5.230 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -20.858 -5.615 7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.122 -4.400 8.983 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.594 -4.594 9.105 1.00 0.00 H new ATOM 907 N HIS A 59 -14.957 -4.037 3.423 1.00 0.00 N ATOM 908 CA HIS A 59 -13.973 -2.994 3.663 1.00 0.00 C ATOM 909 C HIS A 59 -13.892 -2.082 2.441 1.00 0.00 C ATOM 910 O HIS A 59 -13.862 -0.864 2.577 1.00 0.00 O ATOM 911 CB HIS A 59 -12.598 -3.630 3.937 1.00 0.00 C ATOM 912 CG HIS A 59 -12.613 -4.797 4.901 1.00 0.00 C ATOM 913 ND1 HIS A 59 -11.949 -4.890 6.103 1.00 0.00 N ATOM 914 CD2 HIS A 59 -13.281 -5.981 4.723 1.00 0.00 C ATOM 915 CE1 HIS A 59 -12.266 -6.079 6.638 1.00 0.00 C ATOM 916 NE2 HIS A 59 -13.083 -6.780 5.838 1.00 0.00 N ATOM 0 H HIS A 59 -14.556 -4.814 2.898 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.270 -2.406 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.175 -3.966 2.990 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.931 -2.862 4.330 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.866 -6.248 3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.907 -6.428 7.595 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.475 -7.705 6.013 1.00 0.00 H new ATOM 924 N ILE A 60 -13.893 -2.650 1.231 1.00 0.00 N ATOM 925 CA ILE A 60 -13.941 -1.873 -0.006 1.00 0.00 C ATOM 926 C ILE A 60 -15.160 -0.956 0.016 1.00 0.00 C ATOM 927 O ILE A 60 -15.043 0.210 -0.336 1.00 0.00 O ATOM 928 CB ILE A 60 -13.900 -2.803 -1.238 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.619 -3.667 -1.241 1.00 0.00 C ATOM 930 CG2 ILE A 60 -14.036 -2.046 -2.575 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.294 -2.894 -1.248 1.00 0.00 C ATOM 0 H ILE A 60 -13.861 -3.659 1.084 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.059 -1.237 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.770 -3.453 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.637 -4.313 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.644 -4.317 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.000 -2.757 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.987 -1.513 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.218 -1.333 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.462 -3.598 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.242 -2.269 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.235 -2.265 -0.360 1.00 0.00 H new ATOM 943 N ARG A 61 -16.308 -1.438 0.492 1.00 0.00 N ATOM 944 CA ARG A 61 -17.504 -0.615 0.641 1.00 0.00 C ATOM 945 C ARG A 61 -17.309 0.561 1.602 1.00 0.00 C ATOM 946 O ARG A 61 -17.770 1.661 1.287 1.00 0.00 O ATOM 947 CB ARG A 61 -18.673 -1.483 1.111 1.00 0.00 C ATOM 948 CG ARG A 61 -19.209 -2.438 0.032 1.00 0.00 C ATOM 949 CD ARG A 61 -19.602 -1.721 -1.263 1.00 0.00 C ATOM 950 NE ARG A 61 -20.417 -2.571 -2.141 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.200 -2.095 -3.114 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.044 -0.855 -3.562 1.00 0.00 N ATOM 953 NH2 ARG A 61 -22.174 -2.852 -3.606 1.00 0.00 N ATOM 0 H ARG A 61 -16.433 -2.407 0.784 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.719 -0.188 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.356 -2.067 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.483 -0.835 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.450 -3.188 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -20.076 -2.969 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.156 -0.814 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.701 -1.412 -1.793 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.384 -3.581 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.321 -0.256 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.647 -0.502 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.322 -3.793 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.774 -2.492 -4.349 1.00 0.00 H new ATOM 967 N ARG A 62 -16.625 0.381 2.738 1.00 0.00 N ATOM 968 CA ARG A 62 -16.260 1.474 3.621 1.00 0.00 C ATOM 969 C ARG A 62 -15.473 2.506 2.816 1.00 0.00 C ATOM 970 O ARG A 62 -15.849 3.675 2.785 1.00 0.00 O ATOM 971 CB ARG A 62 -15.432 0.947 4.798 1.00 0.00 C ATOM 972 CG ARG A 62 -16.095 -0.067 5.741 1.00 0.00 C ATOM 973 CD ARG A 62 -16.849 0.576 6.906 1.00 0.00 C ATOM 974 NE ARG A 62 -18.208 1.001 6.547 1.00 0.00 N ATOM 975 CZ ARG A 62 -19.196 1.297 7.398 1.00 0.00 C ATOM 976 NH1 ARG A 62 -18.971 1.350 8.708 1.00 0.00 N ATOM 977 NH2 ARG A 62 -20.416 1.521 6.920 1.00 0.00 N ATOM 0 H ARG A 62 -16.312 -0.533 3.064 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.155 1.943 4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -14.529 0.489 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.115 1.802 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.788 -0.683 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.330 -0.733 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.903 -0.133 7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.287 1.439 7.263 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.419 1.078 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.037 1.164 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.733 1.577 9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.588 1.466 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -21.180 1.748 7.557 1.00 0.00 H new ATOM 991 N PHE A 63 -14.413 2.076 2.126 1.00 0.00 N ATOM 992 CA PHE A 63 -13.533 2.975 1.395 1.00 0.00 C ATOM 993 C PHE A 63 -14.232 3.674 0.222 1.00 0.00 C ATOM 994 O PHE A 63 -14.004 4.861 0.005 1.00 0.00 O ATOM 995 CB PHE A 63 -12.308 2.203 0.909 1.00 0.00 C ATOM 996 CG PHE A 63 -11.435 1.579 1.986 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.998 2.331 3.095 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.009 0.244 1.853 1.00 0.00 C ATOM 999 CE1 PHE A 63 -10.167 1.744 4.065 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.188 -0.346 2.828 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.766 0.403 3.938 1.00 0.00 C ATOM 0 H PHE A 63 -14.146 1.094 2.062 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.227 3.765 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.646 1.411 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.691 2.878 0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -11.303 3.362 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.316 -0.332 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.835 2.326 4.912 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.881 -1.376 2.724 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.137 -0.049 4.690 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.113 2.980 -0.501 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.993 3.535 -1.519 1.00 0.00 C ATOM 1013 C GLU A 64 -16.700 4.745 -0.927 1.00 0.00 C ATOM 1014 O GLU A 64 -16.636 5.814 -1.516 1.00 0.00 O ATOM 1015 CB GLU A 64 -17.053 2.520 -1.997 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.624 1.492 -3.051 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.780 0.579 -3.496 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.937 1.045 -3.649 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -17.534 -0.620 -3.764 1.00 0.00 O ATOM 0 H GLU A 64 -15.234 1.974 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.386 3.805 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.415 1.976 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.898 3.080 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.224 2.014 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.817 0.880 -2.648 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.355 4.616 0.230 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.144 5.708 0.789 1.00 0.00 C ATOM 1028 C ALA A 65 -17.323 6.996 0.927 1.00 0.00 C ATOM 1029 O ALA A 65 -17.858 8.084 0.720 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.725 5.286 2.136 1.00 0.00 C ATOM 0 H ALA A 65 -17.352 3.766 0.794 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.959 5.925 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.314 6.104 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.363 4.413 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.914 5.039 2.821 1.00 0.00 H new ATOM 1036 N LEU A 66 -16.021 6.885 1.202 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.096 8.010 1.264 1.00 0.00 C ATOM 1038 C LEU A 66 -15.060 8.714 -0.086 1.00 0.00 C ATOM 1039 O LEU A 66 -15.477 9.867 -0.178 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.684 7.566 1.682 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.652 6.714 2.959 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.240 6.173 3.150 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.073 7.536 4.183 1.00 0.00 C ATOM 0 H LEU A 66 -15.574 5.988 1.392 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.452 8.703 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.236 6.998 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.065 8.451 1.832 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.358 5.890 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.202 5.565 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.965 5.562 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.541 7.004 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.041 6.907 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.391 8.377 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.087 7.909 4.039 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.605 8.036 -1.144 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.479 8.621 -2.477 1.00 0.00 C ATOM 1057 C LEU A 67 -15.840 9.082 -3.001 1.00 0.00 C ATOM 1058 O LEU A 67 -15.941 10.113 -3.662 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.752 7.631 -3.410 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.610 6.551 -4.093 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -15.179 6.988 -5.450 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.827 5.257 -4.278 1.00 0.00 C ATOM 0 H LEU A 67 -14.313 7.060 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.866 9.521 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.250 8.206 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.975 7.130 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.451 6.386 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.773 6.178 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.809 7.867 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.360 7.230 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.461 4.514 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.951 5.447 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.508 4.882 -3.305 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.913 8.366 -2.662 1.00 0.00 N ATOM 1075 CA GLN A 68 -18.271 8.699 -3.055 1.00 0.00 C ATOM 1076 C GLN A 68 -18.791 9.930 -2.299 1.00 0.00 C ATOM 1077 O GLN A 68 -19.906 10.362 -2.583 1.00 0.00 O ATOM 1078 CB GLN A 68 -19.209 7.503 -2.811 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.787 6.167 -3.456 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.806 5.580 -4.421 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.898 5.173 -4.021 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.480 5.448 -5.688 1.00 0.00 N ATOM 0 H GLN A 68 -16.854 7.521 -2.094 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.256 8.935 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.299 7.351 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.201 7.764 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.847 6.316 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.595 5.442 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.576 5.785 -6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.131 5.009 -6.339 1.00 0.00 H new ATOM 1091 N THR A 69 -18.059 10.477 -1.324 1.00 0.00 N ATOM 1092 CA THR A 69 -18.412 11.686 -0.574 1.00 0.00 C ATOM 1093 C THR A 69 -17.258 12.693 -0.528 1.00 0.00 C ATOM 1094 O THR A 69 -17.306 13.683 0.207 1.00 0.00 O ATOM 1095 CB THR A 69 -18.961 11.311 0.810 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.019 10.590 1.585 1.00 0.00 O ATOM 1097 CG2 THR A 69 -20.214 10.449 0.667 1.00 0.00 C ATOM 0 H THR A 69 -17.171 10.075 -1.024 1.00 0.00 H new ATOM 0 HA THR A 69 -19.213 12.204 -1.102 1.00 0.00 H new ATOM 0 HB THR A 69 -19.190 12.249 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.990 9.659 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.593 10.190 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.977 11.003 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.968 9.537 0.123 1.00 0.00 H new ATOM 1105 N GLY A 70 -16.230 12.461 -1.337 1.00 0.00 N ATOM 1106 CA GLY A 70 -15.114 13.377 -1.530 1.00 0.00 C ATOM 1107 C GLY A 70 -14.078 13.306 -0.413 1.00 0.00 C ATOM 1108 O GLY A 70 -13.616 14.351 0.057 1.00 0.00 O ATOM 0 H GLY A 70 -16.149 11.608 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.630 13.154 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -15.496 14.396 -1.598 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.714 12.106 0.046 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.533 11.878 0.878 1.00 0.00 C ATOM 1114 C LYS A 71 -11.637 10.851 0.209 1.00 0.00 C ATOM 1115 O LYS A 71 -12.133 9.942 -0.452 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.946 11.391 2.271 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.225 12.558 3.224 1.00 0.00 C ATOM 1118 CD LYS A 71 -14.591 12.451 3.901 1.00 0.00 C ATOM 1119 CE LYS A 71 -15.713 12.825 2.920 1.00 0.00 C ATOM 1120 NZ LYS A 71 -16.961 13.150 3.631 1.00 0.00 N ATOM 0 H LYS A 71 -14.239 11.255 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.989 12.816 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.837 10.768 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.156 10.764 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.447 12.593 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.171 13.495 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.743 11.435 4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.625 13.110 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.402 13.679 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.889 11.997 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.699 13.398 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.269 12.326 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.798 13.955 4.268 1.00 0.00 H new ATOM 1134 N SER A 72 -10.328 10.973 0.426 1.00 0.00 N ATOM 1135 CA SER A 72 -9.342 10.065 -0.121 1.00 0.00 C ATOM 1136 C SER A 72 -9.515 8.695 0.535 1.00 0.00 C ATOM 1137 O SER A 72 -9.292 8.585 1.749 1.00 0.00 O ATOM 1138 CB SER A 72 -7.931 10.608 0.127 1.00 0.00 C ATOM 1139 OG SER A 72 -7.024 10.159 -0.863 1.00 0.00 O ATOM 0 H SER A 72 -9.926 11.718 0.995 1.00 0.00 H new ATOM 0 HA SER A 72 -9.483 9.970 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.955 11.698 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.585 10.291 1.111 1.00 0.00 H new ATOM 0 HG SER A 72 -6.133 10.523 -0.679 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.839 7.643 -0.233 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.818 6.279 0.271 1.00 0.00 C ATOM 1147 C PRO A 73 -8.386 5.806 0.549 1.00 0.00 C ATOM 1148 O PRO A 73 -8.192 4.998 1.458 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.524 5.470 -0.826 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.175 6.220 -2.105 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.204 7.665 -1.648 1.00 0.00 C ATOM 0 HA PRO A 73 -10.320 6.167 1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.169 4.440 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.601 5.431 -0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.196 5.934 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.898 6.030 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.504 8.271 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.193 8.100 -1.790 1.00 0.00 H new ATOM 1159 N THR A 74 -7.377 6.320 -0.167 1.00 0.00 N ATOM 1160 CA THR A 74 -5.983 5.960 0.037 1.00 0.00 C ATOM 1161 C THR A 74 -5.554 6.229 1.477 1.00 0.00 C ATOM 1162 O THR A 74 -5.029 5.331 2.131 1.00 0.00 O ATOM 1163 CB THR A 74 -5.093 6.749 -0.933 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.561 6.614 -2.258 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.643 6.264 -0.869 1.00 0.00 C ATOM 0 H THR A 74 -7.516 7.004 -0.910 1.00 0.00 H new ATOM 0 HA THR A 74 -5.872 4.893 -0.158 1.00 0.00 H new ATOM 0 HB THR A 74 -5.134 7.796 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.344 7.423 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.035 6.841 -1.566 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.259 6.397 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.600 5.208 -1.137 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.738 7.465 1.950 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.220 7.901 3.234 1.00 0.00 C ATOM 1175 C CYS A 75 -5.802 7.024 4.336 1.00 0.00 C ATOM 1176 O CYS A 75 -5.051 6.485 5.140 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.531 9.399 3.400 1.00 0.00 C ATOM 1178 SG CYS A 75 -5.078 10.017 5.045 1.00 0.00 S ATOM 0 H CYS A 75 -6.253 8.187 1.446 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.138 7.789 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.993 9.966 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.594 9.568 3.231 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.361 11.283 5.126 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.119 6.862 4.352 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.830 6.057 5.334 1.00 0.00 C ATOM 1186 C GLU A 76 -7.358 4.601 5.331 1.00 0.00 C ATOM 1187 O GLU A 76 -7.138 4.027 6.401 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.321 6.163 4.993 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.955 7.437 5.591 1.00 0.00 C ATOM 1190 CD GLU A 76 -10.076 7.463 7.120 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -9.065 7.704 7.818 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -11.220 7.368 7.626 1.00 0.00 O ATOM 0 H GLU A 76 -7.736 7.297 3.666 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.633 6.425 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.447 6.168 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.844 5.285 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.364 8.297 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.950 7.561 5.164 1.00 0.00 H new ATOM 1199 N LEU A 77 -7.198 4.007 4.144 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.745 2.628 3.996 1.00 0.00 C ATOM 1201 C LEU A 77 -5.349 2.468 4.575 1.00 0.00 C ATOM 1202 O LEU A 77 -5.117 1.606 5.417 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.770 2.241 2.506 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.963 1.015 2.022 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.523 -0.300 2.563 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.965 0.996 0.485 1.00 0.00 C ATOM 0 H LEU A 77 -7.381 4.475 3.257 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.413 1.964 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.811 2.076 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.423 3.105 1.939 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.946 1.106 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.921 -1.131 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.494 -0.287 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.553 -0.422 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.398 0.135 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.991 0.929 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.507 1.911 0.109 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.416 3.290 4.095 1.00 0.00 N ATOM 1219 CA LEU A 78 -3.013 3.234 4.466 1.00 0.00 C ATOM 1220 C LEU A 78 -2.836 3.467 5.969 1.00 0.00 C ATOM 1221 O LEU A 78 -1.950 2.867 6.579 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.242 4.303 3.669 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.993 3.962 2.186 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -1.120 5.068 1.586 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.325 2.598 1.961 1.00 0.00 C ATOM 0 H LEU A 78 -4.625 4.028 3.423 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.621 2.244 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.794 5.241 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.280 4.471 4.153 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.966 3.899 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.929 4.851 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.636 6.025 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.174 5.117 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.185 2.433 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.357 2.580 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.959 1.811 2.369 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.663 4.339 6.554 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.530 4.764 7.941 1.00 0.00 C ATOM 1239 C PHE A 79 -3.858 3.586 8.850 1.00 0.00 C ATOM 1240 O PHE A 79 -3.079 3.271 9.753 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.434 5.981 8.230 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.145 6.722 9.513 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.901 7.362 9.689 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -5.155 6.864 10.479 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.667 8.130 10.843 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -4.913 7.620 11.638 1.00 0.00 C ATOM 1247 CZ PHE A 79 -3.672 8.256 11.820 1.00 0.00 C ATOM 0 H PHE A 79 -4.449 4.771 6.069 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.505 5.081 8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.345 6.682 7.400 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.470 5.643 8.253 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.130 7.262 8.939 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.116 6.393 10.331 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.716 8.623 10.980 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.682 7.713 12.391 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.490 8.841 12.709 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.986 2.923 8.584 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.404 1.744 9.330 1.00 0.00 C ATOM 1259 C ASP A 80 -4.413 0.607 9.101 1.00 0.00 C ATOM 1260 O ASP A 80 -3.923 0.007 10.056 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.815 1.316 8.923 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.406 0.414 10.009 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.234 -0.819 9.955 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.054 0.956 10.939 1.00 0.00 O ATOM 0 H ASP A 80 -5.633 3.193 7.843 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.420 1.991 10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.446 2.193 8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.786 0.786 7.971 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.047 0.366 7.837 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.149 -0.715 7.454 1.00 0.00 C ATOM 1271 C TRP A 81 -1.801 -0.628 8.170 1.00 0.00 C ATOM 1272 O TRP A 81 -1.206 -1.653 8.507 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.943 -0.709 5.936 1.00 0.00 C ATOM 1274 CG TRP A 81 -2.180 -1.881 5.415 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.263 -3.157 5.852 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -1.122 -1.873 4.422 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.279 -3.912 5.250 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.525 -3.164 4.377 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.590 -0.881 3.580 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.604 -3.441 3.593 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.494 -1.170 2.739 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.103 -2.436 2.759 1.00 0.00 C ATOM 0 H TRP A 81 -4.372 0.925 7.048 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.616 -1.652 7.757 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.918 -0.679 5.449 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.419 0.205 5.656 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.987 -3.528 6.562 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -1.129 -4.905 5.430 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -1.019 0.110 3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.078 -4.410 3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.865 -0.410 2.068 1.00 0.00 H new ATOM 0 HH2 TRP A 81 1.958 -2.633 2.129 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.336 0.584 8.463 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.136 0.800 9.244 1.00 0.00 C ATOM 1295 C GLY A 82 -0.166 0.047 10.571 1.00 0.00 C ATOM 1296 O GLY A 82 0.880 -0.431 11.006 1.00 0.00 O ATOM 0 H GLY A 82 -1.790 1.446 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.732 0.481 8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.017 1.866 9.436 1.00 0.00 H new ATOM 1300 N THR A 83 -1.328 -0.085 11.215 1.00 0.00 N ATOM 1301 CA THR A 83 -1.487 -0.775 12.491 1.00 0.00 C ATOM 1302 C THR A 83 -2.091 -2.188 12.317 1.00 0.00 C ATOM 1303 O THR A 83 -2.282 -2.906 13.301 1.00 0.00 O ATOM 1304 CB THR A 83 -2.191 0.160 13.495 1.00 0.00 C ATOM 1305 OG1 THR A 83 -1.595 -0.031 14.759 1.00 0.00 O ATOM 1306 CG2 THR A 83 -3.703 -0.003 13.579 1.00 0.00 C ATOM 0 H THR A 83 -2.203 0.295 10.853 1.00 0.00 H new ATOM 0 HA THR A 83 -0.515 -0.993 12.933 1.00 0.00 H new ATOM 0 HB THR A 83 -2.055 1.180 13.134 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.026 0.555 15.416 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.104 0.698 14.311 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.145 0.199 12.603 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.943 -1.022 13.882 1.00 0.00 H new ATOM 1314 N THR A 84 -2.341 -2.643 11.078 1.00 0.00 N ATOM 1315 CA THR A 84 -2.399 -4.083 10.815 1.00 0.00 C ATOM 1316 C THR A 84 -1.028 -4.711 11.093 1.00 0.00 C ATOM 1317 O THR A 84 -1.003 -5.856 11.535 1.00 0.00 O ATOM 1318 CB THR A 84 -2.892 -4.337 9.378 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.229 -4.765 9.393 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.135 -5.404 8.585 1.00 0.00 C ATOM 0 H THR A 84 -2.502 -2.049 10.264 1.00 0.00 H new ATOM 0 HA THR A 84 -3.116 -4.560 11.483 1.00 0.00 H new ATOM 0 HB THR A 84 -2.734 -3.375 8.890 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.533 -4.922 8.475 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.571 -5.495 7.590 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.087 -5.117 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.207 -6.361 9.102 1.00 0.00 H new ATOM 1328 N ASN A 85 0.072 -3.967 10.910 1.00 0.00 N ATOM 1329 CA ASN A 85 1.490 -4.277 11.146 1.00 0.00 C ATOM 1330 C ASN A 85 2.176 -4.479 9.797 1.00 0.00 C ATOM 1331 O ASN A 85 2.616 -5.589 9.479 1.00 0.00 O ATOM 1332 CB ASN A 85 1.770 -5.495 12.059 1.00 0.00 C ATOM 1333 CG ASN A 85 1.288 -5.334 13.493 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.458 -4.281 14.104 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.754 -6.383 14.107 1.00 0.00 N ATOM 0 H ASN A 85 -0.023 -3.018 10.549 1.00 0.00 H new ATOM 0 HA ASN A 85 1.892 -3.424 11.693 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.294 -6.375 11.626 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.843 -5.686 12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.484 -6.316 15.088 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.614 -7.255 13.597 1.00 0.00 H new ATOM 1342 N CYS A 86 2.226 -3.433 8.967 1.00 0.00 N ATOM 1343 CA CYS A 86 2.965 -3.449 7.706 1.00 0.00 C ATOM 1344 C CYS A 86 3.793 -2.170 7.542 1.00 0.00 C ATOM 1345 O CYS A 86 3.554 -1.173 8.235 1.00 0.00 O ATOM 1346 CB CYS A 86 1.994 -3.657 6.536 1.00 0.00 C ATOM 1347 SG CYS A 86 1.087 -5.224 6.733 1.00 0.00 S ATOM 0 H CYS A 86 1.752 -2.549 9.154 1.00 0.00 H new ATOM 0 HA CYS A 86 3.667 -4.283 7.714 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.290 -2.826 6.487 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.545 -3.664 5.595 1.00 0.00 H new ATOM 0 HG CYS A 86 1.542 -5.861 7.771 1.00 0.00 H new ATOM 1353 N THR A 87 4.741 -2.181 6.599 1.00 0.00 N ATOM 1354 CA THR A 87 5.751 -1.140 6.466 1.00 0.00 C ATOM 1355 C THR A 87 5.828 -0.607 5.034 1.00 0.00 C ATOM 1356 O THR A 87 5.167 -1.110 4.126 1.00 0.00 O ATOM 1357 CB THR A 87 7.102 -1.662 7.002 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.677 -2.604 6.124 1.00 0.00 O ATOM 1359 CG2 THR A 87 6.979 -2.301 8.386 1.00 0.00 C ATOM 0 H THR A 87 4.825 -2.922 5.903 1.00 0.00 H new ATOM 0 HA THR A 87 5.468 -0.280 7.073 1.00 0.00 H new ATOM 0 HB THR A 87 7.744 -0.785 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.460 -2.209 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.958 -2.650 8.714 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.601 -1.564 9.095 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.290 -3.145 8.337 1.00 0.00 H new ATOM 1367 N VAL A 88 6.647 0.420 4.815 1.00 0.00 N ATOM 1368 CA VAL A 88 6.834 1.073 3.523 1.00 0.00 C ATOM 1369 C VAL A 88 7.240 0.038 2.474 1.00 0.00 C ATOM 1370 O VAL A 88 6.729 0.072 1.358 1.00 0.00 O ATOM 1371 CB VAL A 88 7.932 2.156 3.653 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.523 2.612 2.306 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.377 3.400 4.341 1.00 0.00 C ATOM 0 H VAL A 88 7.215 0.832 5.555 1.00 0.00 H new ATOM 0 HA VAL A 88 5.900 1.541 3.211 1.00 0.00 H new ATOM 0 HB VAL A 88 8.723 1.684 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.285 3.371 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.972 1.758 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.731 3.030 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.163 4.151 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.551 3.802 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.020 3.137 5.337 1.00 0.00 H new ATOM 1383 N GLY A 89 8.160 -0.861 2.829 1.00 0.00 N ATOM 1384 CA GLY A 89 8.628 -1.892 1.930 1.00 0.00 C ATOM 1385 C GLY A 89 7.528 -2.897 1.648 1.00 0.00 C ATOM 1386 O GLY A 89 7.493 -3.423 0.545 1.00 0.00 O ATOM 0 H GLY A 89 8.596 -0.886 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.964 -1.442 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.488 -2.400 2.367 1.00 0.00 H new ATOM 1390 N ASP A 90 6.635 -3.174 2.608 1.00 0.00 N ATOM 1391 CA ASP A 90 5.460 -4.011 2.352 1.00 0.00 C ATOM 1392 C ASP A 90 4.568 -3.351 1.293 1.00 0.00 C ATOM 1393 O ASP A 90 4.067 -4.037 0.406 1.00 0.00 O ATOM 1394 CB ASP A 90 4.658 -4.267 3.642 1.00 0.00 C ATOM 1395 CG ASP A 90 4.234 -5.728 3.793 1.00 0.00 C ATOM 1396 OD1 ASP A 90 5.005 -6.531 4.375 1.00 0.00 O ATOM 1397 OD2 ASP A 90 3.081 -6.067 3.449 1.00 0.00 O ATOM 0 H ASP A 90 6.706 -2.831 3.566 1.00 0.00 H new ATOM 0 HA ASP A 90 5.807 -4.975 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.260 -3.977 4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.771 -3.633 3.645 1.00 0.00 H new ATOM 1402 N LEU A 91 4.385 -2.022 1.384 1.00 0.00 N ATOM 1403 CA LEU A 91 3.586 -1.230 0.450 1.00 0.00 C ATOM 1404 C LEU A 91 4.196 -1.260 -0.942 1.00 0.00 C ATOM 1405 O LEU A 91 3.503 -1.639 -1.877 1.00 0.00 O ATOM 1406 CB LEU A 91 3.393 0.218 0.948 1.00 0.00 C ATOM 1407 CG LEU A 91 2.665 1.127 -0.062 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.314 0.612 -0.563 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.414 2.504 0.553 1.00 0.00 C ATOM 0 H LEU A 91 4.801 -1.462 2.128 1.00 0.00 H new ATOM 0 HA LEU A 91 2.596 -1.683 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.829 0.200 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.369 0.649 1.174 1.00 0.00 H new ATOM 0 HG LEU A 91 3.339 1.157 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.890 1.328 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.452 -0.348 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.636 0.489 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.899 3.137 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.797 2.397 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.366 2.961 0.822 1.00 0.00 H new ATOM 1421 N VAL A 92 5.450 -0.831 -1.090 1.00 0.00 N ATOM 1422 CA VAL A 92 6.176 -0.824 -2.356 1.00 0.00 C ATOM 1423 C VAL A 92 6.005 -2.162 -3.071 1.00 0.00 C ATOM 1424 O VAL A 92 5.691 -2.166 -4.256 1.00 0.00 O ATOM 1425 CB VAL A 92 7.651 -0.504 -2.061 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.627 -1.084 -3.088 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.864 0.998 -1.851 1.00 0.00 C ATOM 0 H VAL A 92 6.001 -0.470 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 92 5.780 -0.061 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 92 7.886 -1.012 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.647 -0.816 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.530 -2.169 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.400 -0.680 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.917 1.191 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.566 1.537 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.261 1.337 -1.008 1.00 0.00 H new ATOM 1437 N ASP A 93 6.204 -3.262 -2.346 1.00 0.00 N ATOM 1438 CA ASP A 93 6.150 -4.623 -2.863 1.00 0.00 C ATOM 1439 C ASP A 93 4.842 -4.832 -3.633 1.00 0.00 C ATOM 1440 O ASP A 93 4.825 -5.211 -4.806 1.00 0.00 O ATOM 1441 CB ASP A 93 6.222 -5.589 -1.673 1.00 0.00 C ATOM 1442 CG ASP A 93 7.324 -6.636 -1.769 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.511 -6.278 -1.616 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.001 -7.840 -1.877 1.00 0.00 O ATOM 0 H ASP A 93 6.414 -3.226 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 93 6.983 -4.805 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.368 -5.010 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.263 -6.098 -1.577 1.00 0.00 H new ATOM 1449 N LEU A 94 3.727 -4.547 -2.954 1.00 0.00 N ATOM 1450 CA LEU A 94 2.377 -4.670 -3.482 1.00 0.00 C ATOM 1451 C LEU A 94 2.167 -3.667 -4.606 1.00 0.00 C ATOM 1452 O LEU A 94 1.549 -4.006 -5.609 1.00 0.00 O ATOM 1453 CB LEU A 94 1.364 -4.407 -2.359 1.00 0.00 C ATOM 1454 CG LEU A 94 1.370 -5.509 -1.286 1.00 0.00 C ATOM 1455 CD1 LEU A 94 0.868 -4.924 0.028 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.480 -6.678 -1.694 1.00 0.00 C ATOM 0 H LEU A 94 3.747 -4.214 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 94 2.234 -5.677 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.587 -3.448 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.365 -4.328 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 94 2.389 -5.880 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.869 -5.699 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.521 -4.108 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.146 -4.547 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.504 -7.442 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.543 -6.327 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.843 -7.102 -2.630 1.00 0.00 H new ATOM 1468 N LEU A 95 2.656 -2.433 -4.459 1.00 0.00 N ATOM 1469 CA LEU A 95 2.513 -1.387 -5.466 1.00 0.00 C ATOM 1470 C LEU A 95 3.146 -1.813 -6.782 1.00 0.00 C ATOM 1471 O LEU A 95 2.521 -1.641 -7.825 1.00 0.00 O ATOM 1472 CB LEU A 95 3.107 -0.050 -5.009 1.00 0.00 C ATOM 1473 CG LEU A 95 2.305 0.668 -3.921 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.036 1.963 -3.559 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.867 0.965 -4.353 1.00 0.00 C ATOM 0 H LEU A 95 3.167 -2.133 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 95 1.443 -1.239 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.118 -0.224 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.192 0.609 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 95 2.234 0.013 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.480 2.490 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.035 1.727 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.115 2.596 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.342 1.475 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.877 1.602 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.356 0.030 -4.584 1.00 0.00 H new ATOM 1487 N VAL A 96 4.352 -2.377 -6.761 1.00 0.00 N ATOM 1488 CA VAL A 96 4.963 -2.926 -7.963 1.00 0.00 C ATOM 1489 C VAL A 96 4.059 -4.032 -8.515 1.00 0.00 C ATOM 1490 O VAL A 96 3.815 -4.058 -9.722 1.00 0.00 O ATOM 1491 CB VAL A 96 6.403 -3.404 -7.677 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.029 -4.062 -8.913 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.317 -2.233 -7.274 1.00 0.00 C ATOM 0 H VAL A 96 4.924 -2.464 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 96 5.054 -2.155 -8.729 1.00 0.00 H new ATOM 0 HB VAL A 96 6.325 -4.122 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.042 -4.387 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.431 -4.924 -9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.059 -3.343 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.323 -2.606 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.351 -1.503 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.926 -1.759 -6.373 1.00 0.00 H new ATOM 1503 N GLN A 97 3.492 -4.890 -7.658 1.00 0.00 N ATOM 1504 CA GLN A 97 2.677 -6.015 -8.094 1.00 0.00 C ATOM 1505 C GLN A 97 1.482 -5.504 -8.902 1.00 0.00 C ATOM 1506 O GLN A 97 1.206 -6.008 -9.991 1.00 0.00 O ATOM 1507 CB GLN A 97 2.297 -6.910 -6.891 1.00 0.00 C ATOM 1508 CG GLN A 97 0.796 -7.046 -6.577 1.00 0.00 C ATOM 1509 CD GLN A 97 0.486 -8.208 -5.644 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.273 -8.575 -4.780 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.664 -8.825 -5.827 1.00 0.00 N ATOM 0 H GLN A 97 3.589 -4.818 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 97 3.246 -6.659 -8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.699 -7.907 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.796 -6.518 -6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.440 -6.120 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.246 -7.179 -7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.305 -8.504 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.913 -9.624 -5.244 1.00 0.00 H new ATOM 1520 N ILE A 98 0.778 -4.489 -8.392 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.401 -3.924 -9.043 1.00 0.00 C ATOM 1522 C ILE A 98 -0.030 -3.012 -10.226 1.00 0.00 C ATOM 1523 O ILE A 98 -0.938 -2.465 -10.862 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.345 -3.254 -8.022 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.659 -2.106 -7.271 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.904 -4.276 -7.015 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.647 -1.163 -6.596 1.00 0.00 C ATOM 0 H ILE A 98 1.014 -4.035 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.964 -4.749 -9.480 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.173 -2.838 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.011 -2.521 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.043 -1.539 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.565 -3.769 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.463 -5.044 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.080 -4.739 -6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.101 -0.372 -6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.301 -0.722 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.246 -1.719 -5.875 1.00 0.00 H new ATOM 1539 N GLU A 99 1.263 -2.886 -10.548 1.00 0.00 N ATOM 1540 CA GLU A 99 1.883 -2.182 -11.675 1.00 0.00 C ATOM 1541 C GLU A 99 2.056 -0.679 -11.390 1.00 0.00 C ATOM 1542 O GLU A 99 2.360 0.106 -12.289 1.00 0.00 O ATOM 1543 CB GLU A 99 1.129 -2.448 -12.996 1.00 0.00 C ATOM 1544 CG GLU A 99 2.072 -2.714 -14.176 1.00 0.00 C ATOM 1545 CD GLU A 99 2.486 -4.187 -14.202 1.00 0.00 C ATOM 1546 OE1 GLU A 99 1.673 -5.002 -14.693 1.00 0.00 O ATOM 1547 OE2 GLU A 99 3.569 -4.545 -13.691 1.00 0.00 O ATOM 0 H GLU A 99 1.975 -3.322 -9.962 1.00 0.00 H new ATOM 0 HA GLU A 99 2.887 -2.589 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.468 -3.304 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.498 -1.590 -13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.578 -2.451 -15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.956 -2.082 -14.094 1.00 0.00 H new ATOM 1554 N LEU A 100 1.832 -0.253 -10.144 1.00 0.00 N ATOM 1555 CA LEU A 100 1.781 1.145 -9.730 1.00 0.00 C ATOM 1556 C LEU A 100 3.184 1.614 -9.367 1.00 0.00 C ATOM 1557 O LEU A 100 3.528 1.867 -8.207 1.00 0.00 O ATOM 1558 CB LEU A 100 0.782 1.354 -8.576 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.662 1.691 -8.994 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.716 3.053 -9.686 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.328 0.647 -9.898 1.00 0.00 C ATOM 0 H LEU A 100 1.676 -0.899 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 100 1.418 1.752 -10.560 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.763 0.449 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.153 2.157 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.227 1.702 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.744 3.274 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.357 3.823 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.086 3.035 -10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.341 0.969 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.751 0.540 -10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.366 -0.311 -9.380 1.00 0.00 H new ATOM 1573 N PHE A 101 4.014 1.740 -10.392 1.00 0.00 N ATOM 1574 CA PHE A 101 5.415 2.037 -10.202 1.00 0.00 C ATOM 1575 C PHE A 101 5.645 3.454 -9.694 1.00 0.00 C ATOM 1576 O PHE A 101 6.574 3.629 -8.921 1.00 0.00 O ATOM 1577 CB PHE A 101 6.209 1.784 -11.487 1.00 0.00 C ATOM 1578 CG PHE A 101 6.064 0.402 -12.094 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.858 -0.742 -11.293 1.00 0.00 C ATOM 1580 CD2 PHE A 101 6.126 0.269 -13.493 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.633 -1.989 -11.901 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.930 -0.983 -14.094 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.671 -2.106 -13.299 1.00 0.00 C ATOM 0 H PHE A 101 3.733 1.639 -11.367 1.00 0.00 H new ATOM 0 HA PHE A 101 5.779 1.359 -9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.904 2.520 -12.231 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.265 1.960 -11.279 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.873 -0.659 -10.216 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.325 1.135 -14.107 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.431 -2.858 -11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.979 -1.081 -15.168 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.500 -3.066 -13.763 1.00 0.00 H new ATOM 1593 N ALA A 102 4.833 4.458 -10.051 1.00 0.00 N ATOM 1594 CA ALA A 102 5.041 5.826 -9.563 1.00 0.00 C ATOM 1595 C ALA A 102 5.096 5.879 -8.027 1.00 0.00 C ATOM 1596 O ALA A 102 6.115 6.309 -7.487 1.00 0.00 O ATOM 1597 CB ALA A 102 4.009 6.809 -10.135 1.00 0.00 C ATOM 0 H ALA A 102 4.031 4.349 -10.672 1.00 0.00 H new ATOM 0 HA ALA A 102 6.015 6.149 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.203 7.808 -9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.083 6.823 -11.222 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.007 6.495 -9.844 1.00 0.00 H new ATOM 1603 N PRO A 103 4.057 5.450 -7.290 1.00 0.00 N ATOM 1604 CA PRO A 103 4.067 5.516 -5.835 1.00 0.00 C ATOM 1605 C PRO A 103 5.091 4.562 -5.196 1.00 0.00 C ATOM 1606 O PRO A 103 5.662 4.932 -4.171 1.00 0.00 O ATOM 1607 CB PRO A 103 2.624 5.251 -5.401 1.00 0.00 C ATOM 1608 CG PRO A 103 2.026 4.479 -6.571 1.00 0.00 C ATOM 1609 CD PRO A 103 2.759 5.027 -7.776 1.00 0.00 C ATOM 0 HA PRO A 103 4.399 6.494 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.584 4.672 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.085 6.180 -5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.180 3.405 -6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.951 4.640 -6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.860 4.267 -8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.216 5.862 -8.218 1.00 0.00 H new ATOM 1617 N ALA A 104 5.374 3.397 -5.800 1.00 0.00 N ATOM 1618 CA ALA A 104 6.478 2.518 -5.396 1.00 0.00 C ATOM 1619 C ALA A 104 7.784 3.325 -5.451 1.00 0.00 C ATOM 1620 O ALA A 104 8.494 3.431 -4.458 1.00 0.00 O ATOM 1621 CB ALA A 104 6.533 1.310 -6.345 1.00 0.00 C ATOM 0 H ALA A 104 4.837 3.037 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 104 6.332 2.148 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.351 0.653 -6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.592 0.763 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.695 1.656 -7.366 1.00 0.00 H new ATOM 1627 N THR A 105 8.068 3.964 -6.588 1.00 0.00 N ATOM 1628 CA THR A 105 9.298 4.698 -6.833 1.00 0.00 C ATOM 1629 C THR A 105 9.380 5.934 -5.929 1.00 0.00 C ATOM 1630 O THR A 105 10.467 6.362 -5.537 1.00 0.00 O ATOM 1631 CB THR A 105 9.316 5.149 -8.308 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.103 4.098 -9.214 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.601 5.841 -8.743 1.00 0.00 C ATOM 0 H THR A 105 7.427 3.982 -7.381 1.00 0.00 H new ATOM 0 HA THR A 105 10.149 4.052 -6.617 1.00 0.00 H new ATOM 0 HB THR A 105 8.491 5.861 -8.339 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.141 3.937 -9.307 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.525 6.123 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.756 6.734 -8.138 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.443 5.162 -8.610 1.00 0.00 H new ATOM 1641 N LEU A 106 8.248 6.579 -5.631 1.00 0.00 N ATOM 1642 CA LEU A 106 8.201 7.783 -4.811 1.00 0.00 C ATOM 1643 C LEU A 106 8.725 7.456 -3.414 1.00 0.00 C ATOM 1644 O LEU A 106 9.466 8.246 -2.820 1.00 0.00 O ATOM 1645 CB LEU A 106 6.753 8.301 -4.777 1.00 0.00 C ATOM 1646 CG LEU A 106 6.491 9.413 -3.746 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.339 10.665 -3.995 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.009 9.799 -3.757 1.00 0.00 C ATOM 0 H LEU A 106 7.332 6.273 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 106 8.832 8.568 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.492 8.674 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.087 7.464 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 106 6.774 9.012 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.112 11.415 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.396 10.405 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.113 11.067 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.833 10.587 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.734 10.158 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.404 8.928 -3.506 1.00 0.00 H new ATOM 1660 N LEU A 107 8.334 6.285 -2.909 1.00 0.00 N ATOM 1661 CA LEU A 107 8.750 5.776 -1.614 1.00 0.00 C ATOM 1662 C LEU A 107 10.179 5.269 -1.700 1.00 0.00 C ATOM 1663 O LEU A 107 11.004 5.696 -0.903 1.00 0.00 O ATOM 1664 CB LEU A 107 7.817 4.639 -1.175 1.00 0.00 C ATOM 1665 CG LEU A 107 6.429 5.150 -0.760 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.424 4.002 -0.816 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.445 5.775 0.644 1.00 0.00 C ATOM 0 H LEU A 107 7.705 5.654 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 107 8.698 6.579 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.709 3.925 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.269 4.103 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 107 6.134 5.932 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.440 4.366 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.377 3.609 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.737 3.211 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.444 6.124 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.765 5.029 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.137 6.617 0.660 1.00 0.00 H new ATOM 1679 N LEU A 108 10.474 4.378 -2.650 1.00 0.00 N ATOM 1680 CA LEU A 108 11.732 3.654 -2.706 1.00 0.00 C ATOM 1681 C LEU A 108 12.090 3.389 -4.178 1.00 0.00 C ATOM 1682 O LEU A 108 11.766 2.335 -4.726 1.00 0.00 O ATOM 1683 CB LEU A 108 11.594 2.382 -1.865 1.00 0.00 C ATOM 1684 CG LEU A 108 12.899 1.661 -1.492 1.00 0.00 C ATOM 1685 CD1 LEU A 108 13.887 2.563 -0.743 1.00 0.00 C ATOM 1686 CD2 LEU A 108 12.522 0.491 -0.573 1.00 0.00 C ATOM 0 H LEU A 108 9.834 4.141 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 108 12.557 4.229 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.070 2.637 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.960 1.681 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 108 13.389 1.340 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.789 1.998 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.147 3.416 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.428 2.917 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.423 -0.049 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.027 0.874 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.848 -0.184 -1.101 1.00 0.00 H new ATOM 1698 N PRO A 109 12.764 4.338 -4.843 1.00 0.00 N ATOM 1699 CA PRO A 109 13.024 4.337 -6.286 1.00 0.00 C ATOM 1700 C PRO A 109 14.050 3.288 -6.738 1.00 0.00 C ATOM 1701 O PRO A 109 14.421 3.269 -7.910 1.00 0.00 O ATOM 1702 CB PRO A 109 13.538 5.747 -6.578 1.00 0.00 C ATOM 1703 CG PRO A 109 14.280 6.091 -5.302 1.00 0.00 C ATOM 1704 CD PRO A 109 13.372 5.500 -4.225 1.00 0.00 C ATOM 0 HA PRO A 109 12.118 4.074 -6.832 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.194 5.769 -7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.724 6.444 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.277 5.650 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.405 7.167 -5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 109 13.941 5.223 -3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.617 6.219 -3.908 1.00 0.00 H new ATOM 1712 N ASP A 110 14.545 2.468 -5.813 1.00 0.00 N ATOM 1713 CA ASP A 110 15.562 1.441 -6.020 1.00 0.00 C ATOM 1714 C ASP A 110 14.934 0.045 -5.988 1.00 0.00 C ATOM 1715 O ASP A 110 15.495 -0.901 -6.546 1.00 0.00 O ATOM 1716 CB ASP A 110 16.599 1.506 -4.885 1.00 0.00 C ATOM 1717 CG ASP A 110 17.317 2.848 -4.778 1.00 0.00 C ATOM 1718 OD1 ASP A 110 16.744 3.802 -4.204 1.00 0.00 O ATOM 1719 OD2 ASP A 110 18.486 2.971 -5.209 1.00 0.00 O ATOM 0 H ASP A 110 14.228 2.505 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 110 16.028 1.620 -6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.101 1.295 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.339 0.720 -5.037 1.00 0.00 H new ATOM 1724 N ALA A 111 13.796 -0.089 -5.295 1.00 0.00 N ATOM 1725 CA ALA A 111 13.073 -1.338 -5.099 1.00 0.00 C ATOM 1726 C ALA A 111 12.363 -1.748 -6.382 1.00 0.00 C ATOM 1727 O ALA A 111 12.438 -2.902 -6.800 1.00 0.00 O ATOM 1728 CB ALA A 111 12.049 -1.135 -3.987 1.00 0.00 C ATOM 0 H ALA A 111 13.342 0.704 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 111 13.774 -2.127 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.498 -2.061 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.562 -0.854 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.355 -0.344 -4.272 1.00 0.00 H new ATOM 1734 N VAL A 112 11.675 -0.781 -6.987 1.00 0.00 N ATOM 1735 CA VAL A 112 11.018 -0.915 -8.272 1.00 0.00 C ATOM 1736 C VAL A 112 12.042 -1.460 -9.290 1.00 0.00 C ATOM 1737 O VAL A 112 13.112 -0.871 -9.449 1.00 0.00 O ATOM 1738 CB VAL A 112 10.374 0.434 -8.651 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.363 1.613 -8.578 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.673 0.375 -10.012 1.00 0.00 C ATOM 0 H VAL A 112 11.560 0.146 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 112 10.199 -1.634 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 112 9.610 0.622 -7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.852 2.535 -8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.747 1.703 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.191 1.437 -9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.234 1.347 -10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.398 0.116 -10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.887 -0.380 -9.984 1.00 0.00 H new ATOM 1750 N PRO A 113 11.766 -2.590 -9.960 1.00 0.00 N ATOM 1751 CA PRO A 113 12.719 -3.253 -10.843 1.00 0.00 C ATOM 1752 C PRO A 113 12.873 -2.558 -12.209 1.00 0.00 C ATOM 1753 O PRO A 113 13.198 -3.221 -13.199 1.00 0.00 O ATOM 1754 CB PRO A 113 12.213 -4.698 -10.929 1.00 0.00 C ATOM 1755 CG PRO A 113 10.705 -4.564 -10.764 1.00 0.00 C ATOM 1756 CD PRO A 113 10.585 -3.419 -9.769 1.00 0.00 C ATOM 0 HA PRO A 113 13.736 -3.211 -10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.472 -5.157 -11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.647 -5.321 -10.147 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.212 -4.335 -11.709 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.255 -5.481 -10.384 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.675 -2.846 -9.943 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.534 -3.795 -8.747 1.00 0.00 H new ATOM 1764 N GLN A 114 12.620 -1.251 -12.313 1.00 0.00 N ATOM 1765 CA GLN A 114 13.059 -0.387 -13.403 1.00 0.00 C ATOM 1766 C GLN A 114 13.136 1.038 -12.847 1.00 0.00 C ATOM 1767 O GLN A 114 12.349 1.379 -11.966 1.00 0.00 O ATOM 1768 CB GLN A 114 12.077 -0.454 -14.587 1.00 0.00 C ATOM 1769 CG GLN A 114 12.696 0.066 -15.899 1.00 0.00 C ATOM 1770 CD GLN A 114 11.824 1.050 -16.679 1.00 0.00 C ATOM 1771 OE1 GLN A 114 11.572 0.870 -17.866 1.00 0.00 O ATOM 1772 NE2 GLN A 114 11.402 2.159 -16.088 1.00 0.00 N ATOM 0 H GLN A 114 12.081 -0.748 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 114 14.031 -0.709 -13.776 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.751 -1.485 -14.727 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.189 0.132 -14.351 1.00 0.00 H new ATOM 0 HG2 GLN A 114 13.646 0.549 -15.669 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.919 -0.786 -16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.605 2.320 -15.102 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.874 2.851 -16.620 1.00 0.00 H new ATOM 1781 N THR A 115 13.998 1.882 -13.427 1.00 0.00 N ATOM 1782 CA THR A 115 14.317 3.270 -13.071 1.00 0.00 C ATOM 1783 C THR A 115 15.531 3.251 -12.133 1.00 0.00 C ATOM 1784 O THR A 115 15.554 2.482 -11.172 1.00 0.00 O ATOM 1785 CB THR A 115 13.134 4.045 -12.443 1.00 0.00 C ATOM 1786 OG1 THR A 115 11.929 3.826 -13.157 1.00 0.00 O ATOM 1787 CG2 THR A 115 13.369 5.554 -12.459 1.00 0.00 C ATOM 0 H THR A 115 14.542 1.581 -14.235 1.00 0.00 H new ATOM 0 HA THR A 115 14.543 3.812 -13.989 1.00 0.00 H new ATOM 0 HB THR A 115 13.058 3.675 -11.420 1.00 0.00 H new ATOM 0 HG1 THR A 115 11.202 4.328 -12.733 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.515 6.060 -12.009 1.00 0.00 H new ATOM 0 HG22 THR A 115 14.270 5.788 -11.891 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.490 5.892 -13.488 1.00 0.00 H new ATOM 1795 N VAL A 116 16.536 4.097 -12.394 1.00 0.00 N ATOM 1796 CA VAL A 116 17.703 4.246 -11.521 1.00 0.00 C ATOM 1797 C VAL A 116 17.969 5.744 -11.311 1.00 0.00 C ATOM 1798 O VAL A 116 17.640 6.277 -10.250 1.00 0.00 O ATOM 1799 CB VAL A 116 18.922 3.443 -12.044 1.00 0.00 C ATOM 1800 CG1 VAL A 116 19.980 3.287 -10.941 1.00 0.00 C ATOM 1801 CG2 VAL A 116 18.571 2.040 -12.564 1.00 0.00 C ATOM 0 H VAL A 116 16.561 4.697 -13.218 1.00 0.00 H new ATOM 0 HA VAL A 116 17.503 3.809 -10.543 1.00 0.00 H new ATOM 0 HB VAL A 116 19.304 4.024 -12.883 1.00 0.00 H new ATOM 0 HG11 VAL A 116 20.828 2.721 -11.327 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.318 4.272 -10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 116 19.546 2.757 -10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 116 19.477 1.544 -12.912 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.123 1.456 -11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 116 17.864 2.124 -13.389 1.00 0.00 H new ATOM 1811 N LYS A 117 18.446 6.453 -12.342 1.00 0.00 N ATOM 1812 CA LYS A 117 19.061 7.790 -12.293 1.00 0.00 C ATOM 1813 C LYS A 117 20.306 7.815 -11.398 1.00 0.00 C ATOM 1814 O LYS A 117 20.557 6.899 -10.615 1.00 0.00 O ATOM 1815 CB LYS A 117 18.084 8.918 -11.881 1.00 0.00 C ATOM 1816 CG LYS A 117 16.873 9.174 -12.795 1.00 0.00 C ATOM 1817 CD LYS A 117 15.654 8.251 -12.628 1.00 0.00 C ATOM 1818 CE LYS A 117 14.757 8.596 -11.426 1.00 0.00 C ATOM 1819 NZ LYS A 117 15.300 8.166 -10.119 1.00 0.00 N ATOM 0 H LYS A 117 18.412 6.087 -13.294 1.00 0.00 H new ATOM 0 HA LYS A 117 19.359 7.995 -13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 117 17.710 8.692 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 117 18.652 9.845 -11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 117 16.543 10.201 -12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 117 17.210 9.103 -13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 117 15.054 8.293 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 117 16.003 7.224 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.598 9.674 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.781 8.133 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.539 7.747 -9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 16.048 7.460 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.695 8.988 -9.620 1.00 0.00 H new ATOM 1833 N SER A 118 21.105 8.867 -11.533 1.00 0.00 N ATOM 1834 CA SER A 118 22.071 9.411 -10.584 1.00 0.00 C ATOM 1835 C SER A 118 22.579 10.721 -11.190 1.00 0.00 C ATOM 1836 O SER A 118 22.650 10.850 -12.416 1.00 0.00 O ATOM 1837 CB SER A 118 23.234 8.445 -10.312 1.00 0.00 C ATOM 1838 OG SER A 118 22.817 7.479 -9.363 1.00 0.00 O ATOM 0 H SER A 118 21.092 9.414 -12.394 1.00 0.00 H new ATOM 0 HA SER A 118 21.596 9.573 -9.617 1.00 0.00 H new ATOM 0 HB2 SER A 118 23.542 7.956 -11.236 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.099 8.993 -9.937 1.00 0.00 H new ATOM 0 HG SER A 118 22.029 7.006 -9.703 1.00 0.00 H new ATOM 1844 N LEU A 119 22.860 11.693 -10.323 1.00 0.00 N ATOM 1845 CA LEU A 119 23.395 13.029 -10.586 1.00 0.00 C ATOM 1846 C LEU A 119 23.526 13.733 -9.227 1.00 0.00 C ATOM 1847 O LEU A 119 22.727 13.432 -8.328 1.00 0.00 O ATOM 1848 CB LEU A 119 22.519 13.860 -11.555 1.00 0.00 C ATOM 1849 CG LEU A 119 21.142 14.348 -11.066 1.00 0.00 C ATOM 1850 CD1 LEU A 119 20.552 15.274 -12.135 1.00 0.00 C ATOM 1851 CD2 LEU A 119 20.141 13.215 -10.803 1.00 0.00 C ATOM 0 H LEU A 119 22.704 11.552 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 119 24.359 12.936 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.094 14.736 -11.853 1.00 0.00 H new ATOM 0 HB3 LEU A 119 22.359 13.263 -12.453 1.00 0.00 H new ATOM 0 HG LEU A 119 21.304 14.856 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 119 19.575 15.631 -11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.217 16.124 -12.287 1.00 0.00 H new ATOM 0 HD13 LEU A 119 20.443 14.726 -13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 119 19.196 13.637 -10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 119 19.977 12.654 -11.723 1.00 0.00 H new ATOM 0 HD23 LEU A 119 20.538 12.549 -10.037 1.00 0.00 H new ATOM 1863 N PRO A 120 24.487 14.648 -9.027 1.00 0.00 N ATOM 1864 CA PRO A 120 24.662 15.332 -7.749 1.00 0.00 C ATOM 1865 C PRO A 120 23.522 16.335 -7.477 1.00 0.00 C ATOM 1866 O PRO A 120 22.790 16.699 -8.408 1.00 0.00 O ATOM 1867 CB PRO A 120 26.035 16.006 -7.855 1.00 0.00 C ATOM 1868 CG PRO A 120 26.218 16.246 -9.350 1.00 0.00 C ATOM 1869 CD PRO A 120 25.518 15.043 -9.975 1.00 0.00 C ATOM 0 HA PRO A 120 24.622 14.647 -6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 120 26.064 16.941 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 120 26.824 15.369 -7.454 1.00 0.00 H new ATOM 0 HG2 PRO A 120 25.766 17.186 -9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 120 27.271 16.289 -9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 120 25.083 15.302 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 120 26.221 14.229 -10.150 1.00 0.00 H new ATOM 1877 N PRO A 121 23.360 16.812 -6.226 1.00 0.00 N ATOM 1878 CA PRO A 121 22.377 17.839 -5.874 1.00 0.00 C ATOM 1879 C PRO A 121 22.715 19.185 -6.527 1.00 0.00 C ATOM 1880 O PRO A 121 23.808 19.362 -7.076 1.00 0.00 O ATOM 1881 CB PRO A 121 22.404 17.916 -4.342 1.00 0.00 C ATOM 1882 CG PRO A 121 23.828 17.493 -3.995 1.00 0.00 C ATOM 1883 CD PRO A 121 24.129 16.429 -5.048 1.00 0.00 C ATOM 0 HA PRO A 121 21.380 17.591 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 121 22.185 18.923 -3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 121 21.666 17.251 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 121 24.524 18.329 -4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 121 23.896 17.092 -2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 121 25.195 16.390 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 121 23.841 15.438 -4.697 1.00 0.00 H new ATOM 1891 N SER A 122 21.801 20.149 -6.439 1.00 0.00 N ATOM 1892 CA SER A 122 21.970 21.501 -6.944 1.00 0.00 C ATOM 1893 C SER A 122 21.327 22.454 -5.943 1.00 0.00 C ATOM 1894 O SER A 122 20.187 22.244 -5.513 1.00 0.00 O ATOM 1895 CB SER A 122 21.293 21.609 -8.316 1.00 0.00 C ATOM 1896 OG SER A 122 21.612 22.812 -8.984 1.00 0.00 O ATOM 0 H SER A 122 20.893 20.001 -5.998 1.00 0.00 H new ATOM 0 HA SER A 122 23.024 21.754 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 122 21.595 20.763 -8.934 1.00 0.00 H new ATOM 0 HB3 SER A 122 20.212 21.543 -8.190 1.00 0.00 H new ATOM 0 HG SER A 122 21.159 22.834 -9.853 1.00 0.00 H new ATOM 1902 N GLY A 123 22.043 23.513 -5.592 1.00 0.00 N ATOM 1903 CA GLY A 123 21.561 24.615 -4.782 1.00 0.00 C ATOM 1904 C GLY A 123 22.757 25.351 -4.185 1.00 0.00 C ATOM 1905 O GLY A 123 23.845 24.770 -4.097 1.00 0.00 O ATOM 0 H GLY A 123 23.015 23.629 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.964 25.296 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 123 20.913 24.244 -3.988 1.00 0.00 H new ATOM 1909 N PRO A 124 22.586 26.613 -3.771 1.00 0.00 N ATOM 1910 CA PRO A 124 23.652 27.381 -3.147 1.00 0.00 C ATOM 1911 C PRO A 124 23.860 26.880 -1.711 1.00 0.00 C ATOM 1912 O PRO A 124 22.907 26.422 -1.064 1.00 0.00 O ATOM 1913 CB PRO A 124 23.160 28.827 -3.232 1.00 0.00 C ATOM 1914 CG PRO A 124 21.644 28.695 -3.118 1.00 0.00 C ATOM 1915 CD PRO A 124 21.348 27.376 -3.824 1.00 0.00 C ATOM 0 HA PRO A 124 24.627 27.285 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.571 29.439 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 124 23.453 29.296 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 124 21.320 28.675 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 124 21.131 29.530 -3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 124 20.537 26.841 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 124 21.036 27.545 -4.855 1.00 0.00 H new ATOM 1923 N SER A 125 25.091 26.940 -1.212 1.00 0.00 N ATOM 1924 CA SER A 125 25.477 26.468 0.112 1.00 0.00 C ATOM 1925 C SER A 125 25.464 27.653 1.085 1.00 0.00 C ATOM 1926 O SER A 125 24.798 27.604 2.124 1.00 0.00 O ATOM 1927 CB SER A 125 26.857 25.801 0.000 1.00 0.00 C ATOM 1928 OG SER A 125 27.118 24.968 1.112 1.00 0.00 O ATOM 0 H SER A 125 25.873 27.332 -1.737 1.00 0.00 H new ATOM 0 HA SER A 125 24.778 25.727 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 125 26.906 25.213 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 125 27.629 26.567 -0.072 1.00 0.00 H new ATOM 0 HG SER A 125 28.002 24.556 1.012 1.00 0.00 H new ATOM 1934 N SER A 126 26.153 28.736 0.727 1.00 0.00 N ATOM 1935 CA SER A 126 26.166 30.028 1.400 1.00 0.00 C ATOM 1936 C SER A 126 26.417 31.091 0.315 1.00 0.00 C ATOM 1937 O SER A 126 27.228 32.001 0.500 1.00 0.00 O ATOM 1938 CB SER A 126 27.247 29.995 2.494 1.00 0.00 C ATOM 1939 OG SER A 126 27.296 31.213 3.211 1.00 0.00 O ATOM 0 H SER A 126 26.756 28.730 -0.096 1.00 0.00 H new ATOM 0 HA SER A 126 25.227 30.267 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 126 27.045 29.174 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 126 28.219 29.799 2.041 1.00 0.00 H new ATOM 0 HG SER A 126 27.294 31.964 2.581 1.00 0.00 H new ATOM 1945 N GLY A 127 25.772 30.930 -0.840 1.00 0.00 N ATOM 1946 CA GLY A 127 26.414 31.105 -2.131 1.00 0.00 C ATOM 1947 C GLY A 127 26.547 29.715 -2.723 1.00 0.00 C ATOM 1948 O GLY A 127 26.983 28.811 -1.973 1.00 0.00 O ATOM 0 H GLY A 127 24.787 30.674 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.819 31.750 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 127 27.390 31.577 -2.021 1.00 0.00 H new TER 1952 GLY A 127