USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 962 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 71 CYS SG : rot 19:sc= 0.0841 USER MOD Set 1.2: A 116 SER OG : rot -2:sc= 0.116 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 55:sc= 0.34 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-1.2) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= 0.861 (180deg=0.47) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= -0.0503 (180deg=-1.48) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 38 MET CE :methyl -123:sc= -0.851 (180deg=-4.21!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -0.857 K(o=-0.86,f=-3.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -139:sc= 0.67 (180deg=-1.58!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.0056) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -48:sc= 0.0764 USER MOD Single : A 60 SER OG : rot 146:sc= 0.835 USER MOD Single : A 64 GLN : amide:sc= -0.0465 K(o=-0.047,f=-1.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.07! C(o=-2.1!,f=-1.2!) USER MOD Single : A 76 SER OG : rot -70:sc= 0.0104 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00181) USER MOD Single : A 84 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.13) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 90 THR OG1 : rot -52:sc= 1.33 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 20:sc= 0.438 USER MOD Single : A 95 CYS SG : rot 97:sc= -1.96! USER MOD Single : A 98 GLN : amide:sc= -3.04 K(o=-3,f=-12!) USER MOD Single : A 105 MET CE :methyl -171:sc= -1.51 (180deg=-1.61) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 113 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.7) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.5!) USER MOD Single : A 119 ASN : amide:sc= -0.998! C(o=-1!,f=-2.9!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.646 -8.887 13.742 1.00 0.00 N ATOM 2 CA GLY A 1 -11.699 -8.771 12.750 1.00 0.00 C ATOM 3 C GLY A 1 -11.195 -9.005 11.340 1.00 0.00 C ATOM 4 O GLY A 1 -10.978 -8.057 10.586 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.041 -8.719 14.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.236 -9.842 13.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.905 -8.184 13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.487 -9.490 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.146 -7.779 12.813 1.00 0.00 H new ATOM 8 N SER A 2 -11.007 -10.272 10.983 1.00 0.00 N ATOM 9 CA SER A 2 -10.521 -10.628 9.656 1.00 0.00 C ATOM 10 C SER A 2 -11.670 -11.078 8.758 1.00 0.00 C ATOM 11 O SER A 2 -12.620 -11.711 9.218 1.00 0.00 O ATOM 12 CB SER A 2 -9.472 -11.737 9.754 1.00 0.00 C ATOM 13 OG SER A 2 -8.297 -11.272 10.396 1.00 0.00 O ATOM 0 H SER A 2 -11.184 -11.069 11.595 1.00 0.00 H new ATOM 0 HA SER A 2 -10.064 -9.742 9.215 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.882 -12.582 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.226 -12.099 8.756 1.00 0.00 H new ATOM 0 HG SER A 2 -7.643 -12.000 10.448 1.00 0.00 H new ATOM 19 N SER A 3 -11.575 -10.745 7.475 1.00 0.00 N ATOM 20 CA SER A 3 -12.607 -11.111 6.512 1.00 0.00 C ATOM 21 C SER A 3 -12.440 -12.558 6.060 1.00 0.00 C ATOM 22 O SER A 3 -11.400 -13.175 6.285 1.00 0.00 O ATOM 23 CB SER A 3 -12.558 -10.177 5.301 1.00 0.00 C ATOM 24 OG SER A 3 -13.234 -8.960 5.568 1.00 0.00 O ATOM 0 H SER A 3 -10.794 -10.222 7.078 1.00 0.00 H new ATOM 0 HA SER A 3 -13.577 -11.011 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.520 -9.970 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.012 -10.668 4.440 1.00 0.00 H new ATOM 0 HG SER A 3 -12.867 -8.553 6.380 1.00 0.00 H new ATOM 30 N GLY A 4 -13.475 -13.095 5.419 1.00 0.00 N ATOM 31 CA GLY A 4 -13.424 -14.465 4.945 1.00 0.00 C ATOM 32 C GLY A 4 -13.059 -14.558 3.476 1.00 0.00 C ATOM 33 O GLY A 4 -13.619 -15.369 2.740 1.00 0.00 O ATOM 0 H GLY A 4 -14.347 -12.605 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.695 -15.023 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.393 -14.938 5.106 1.00 0.00 H new ATOM 37 N SER A 5 -12.117 -13.722 3.049 1.00 0.00 N ATOM 38 CA SER A 5 -11.682 -13.709 1.657 1.00 0.00 C ATOM 39 C SER A 5 -10.170 -13.892 1.559 1.00 0.00 C ATOM 40 O SER A 5 -9.403 -12.973 1.842 1.00 0.00 O ATOM 41 CB SER A 5 -12.093 -12.398 0.984 1.00 0.00 C ATOM 42 OG SER A 5 -11.440 -12.239 -0.263 1.00 0.00 O ATOM 0 H SER A 5 -11.641 -13.046 3.646 1.00 0.00 H new ATOM 0 HA SER A 5 -12.166 -14.540 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.173 -12.384 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.849 -11.559 1.636 1.00 0.00 H new ATOM 0 HG SER A 5 -11.720 -11.395 -0.674 1.00 0.00 H new ATOM 48 N SER A 6 -9.750 -15.087 1.156 1.00 0.00 N ATOM 49 CA SER A 6 -8.331 -15.394 1.023 1.00 0.00 C ATOM 50 C SER A 6 -8.058 -16.157 -0.269 1.00 0.00 C ATOM 51 O SER A 6 -8.746 -17.126 -0.589 1.00 0.00 O ATOM 52 CB SER A 6 -7.850 -16.213 2.223 1.00 0.00 C ATOM 53 OG SER A 6 -6.478 -15.977 2.485 1.00 0.00 O ATOM 0 H SER A 6 -10.373 -15.858 0.916 1.00 0.00 H new ATOM 0 HA SER A 6 -7.783 -14.452 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.441 -15.956 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.009 -17.274 2.030 1.00 0.00 H new ATOM 0 HG SER A 6 -6.196 -16.511 3.257 1.00 0.00 H new ATOM 59 N GLY A 7 -7.048 -15.711 -1.010 1.00 0.00 N ATOM 60 CA GLY A 7 -6.701 -16.362 -2.260 1.00 0.00 C ATOM 61 C GLY A 7 -6.334 -15.371 -3.347 1.00 0.00 C ATOM 62 O GLY A 7 -5.265 -14.762 -3.306 1.00 0.00 O ATOM 0 H GLY A 7 -6.464 -14.911 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.864 -17.040 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.541 -16.970 -2.595 1.00 0.00 H new ATOM 66 N ASP A 8 -7.221 -15.211 -4.323 1.00 0.00 N ATOM 67 CA ASP A 8 -6.985 -14.288 -5.427 1.00 0.00 C ATOM 68 C ASP A 8 -6.643 -12.895 -4.907 1.00 0.00 C ATOM 69 O ASP A 8 -7.284 -12.391 -3.986 1.00 0.00 O ATOM 70 CB ASP A 8 -8.214 -14.220 -6.335 1.00 0.00 C ATOM 71 CG ASP A 8 -7.955 -13.428 -7.602 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.853 -13.567 -8.174 1.00 0.00 O ATOM 73 OD2 ASP A 8 -8.854 -12.671 -8.022 1.00 0.00 O ATOM 0 H ASP A 8 -8.110 -15.709 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.138 -14.659 -6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.523 -15.231 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.041 -13.766 -5.789 1.00 0.00 H new ATOM 78 N ALA A 9 -5.628 -12.279 -5.504 1.00 0.00 N ATOM 79 CA ALA A 9 -5.202 -10.944 -5.101 1.00 0.00 C ATOM 80 C ALA A 9 -6.357 -9.952 -5.178 1.00 0.00 C ATOM 81 O ALA A 9 -6.813 -9.599 -6.266 1.00 0.00 O ATOM 82 CB ALA A 9 -4.043 -10.476 -5.970 1.00 0.00 C ATOM 0 H ALA A 9 -5.086 -12.683 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.869 -10.993 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.735 -9.478 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.205 -11.165 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.358 -10.449 -7.013 1.00 0.00 H new ATOM 88 N ALA A 10 -6.827 -9.507 -4.018 1.00 0.00 N ATOM 89 CA ALA A 10 -7.929 -8.554 -3.954 1.00 0.00 C ATOM 90 C ALA A 10 -7.760 -7.449 -4.991 1.00 0.00 C ATOM 91 O ALA A 10 -8.713 -7.072 -5.674 1.00 0.00 O ATOM 92 CB ALA A 10 -8.032 -7.959 -2.558 1.00 0.00 C ATOM 0 H ALA A 10 -6.462 -9.791 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.852 -9.088 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.859 -7.249 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.208 -8.756 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.103 -7.445 -2.312 1.00 0.00 H new ATOM 98 N LYS A 11 -6.541 -6.933 -5.105 1.00 0.00 N ATOM 99 CA LYS A 11 -6.245 -5.871 -6.059 1.00 0.00 C ATOM 100 C LYS A 11 -4.744 -5.768 -6.312 1.00 0.00 C ATOM 101 O LYS A 11 -3.940 -6.291 -5.542 1.00 0.00 O ATOM 102 CB LYS A 11 -6.779 -4.532 -5.545 1.00 0.00 C ATOM 103 CG LYS A 11 -6.829 -3.448 -6.608 1.00 0.00 C ATOM 104 CD LYS A 11 -7.952 -2.459 -6.344 1.00 0.00 C ATOM 105 CE LYS A 11 -7.643 -1.093 -6.936 1.00 0.00 C ATOM 106 NZ LYS A 11 -7.941 -1.040 -8.394 1.00 0.00 N ATOM 0 H LYS A 11 -5.741 -7.234 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.738 -6.115 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.781 -4.681 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.151 -4.192 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.876 -2.919 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.968 -3.904 -7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.881 -2.839 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.109 -2.364 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.227 -0.332 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.592 -0.855 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.717 -0.093 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.365 -1.749 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.949 -1.242 -8.550 1.00 0.00 H new ATOM 120 N GLU A 12 -4.376 -5.090 -7.395 1.00 0.00 N ATOM 121 CA GLU A 12 -2.971 -4.920 -7.747 1.00 0.00 C ATOM 122 C GLU A 12 -2.794 -3.771 -8.735 1.00 0.00 C ATOM 123 O GLU A 12 -3.723 -3.410 -9.457 1.00 0.00 O ATOM 124 CB GLU A 12 -2.412 -6.212 -8.345 1.00 0.00 C ATOM 125 CG GLU A 12 -3.092 -6.629 -9.638 1.00 0.00 C ATOM 126 CD GLU A 12 -2.832 -8.080 -9.993 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.539 -8.872 -9.073 1.00 0.00 O ATOM 128 OE2 GLU A 12 -2.921 -8.424 -11.190 1.00 0.00 O ATOM 0 H GLU A 12 -5.030 -4.650 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.421 -4.682 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.345 -6.085 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.515 -7.015 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.166 -6.468 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.742 -5.992 -10.450 1.00 0.00 H new ATOM 135 N GLY A 13 -1.594 -3.200 -8.761 1.00 0.00 N ATOM 136 CA GLY A 13 -1.316 -2.097 -9.663 1.00 0.00 C ATOM 137 C GLY A 13 -0.135 -1.262 -9.211 1.00 0.00 C ATOM 138 O GLY A 13 0.311 -1.373 -8.069 1.00 0.00 O ATOM 0 H GLY A 13 -0.809 -3.481 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.119 -2.489 -10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.199 -1.462 -9.738 1.00 0.00 H new ATOM 142 N TRP A 14 0.373 -0.424 -10.107 1.00 0.00 N ATOM 143 CA TRP A 14 1.512 0.432 -9.794 1.00 0.00 C ATOM 144 C TRP A 14 1.110 1.537 -8.824 1.00 0.00 C ATOM 145 O TRP A 14 0.096 2.209 -9.017 1.00 0.00 O ATOM 146 CB TRP A 14 2.083 1.044 -11.074 1.00 0.00 C ATOM 147 CG TRP A 14 2.704 0.032 -11.990 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.106 -0.592 -13.047 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.042 -0.473 -11.928 1.00 0.00 C ATOM 150 NE1 TRP A 14 2.992 -1.454 -13.647 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.187 -1.399 -12.979 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.133 -0.231 -11.089 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.377 -2.083 -13.210 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.314 -0.911 -11.319 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.429 -1.827 -12.372 1.00 0.00 C ATOM 0 H TRP A 14 0.015 -0.319 -11.056 1.00 0.00 H new ATOM 0 HA TRP A 14 2.278 -0.182 -9.320 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.287 1.565 -11.606 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.831 1.791 -10.809 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.086 -0.432 -13.365 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.792 -2.040 -14.458 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.055 0.475 -10.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.467 -2.790 -14.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.163 -0.733 -10.676 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.366 -2.342 -12.526 1.00 0.00 H new ATOM 166 N LEU A 15 1.911 1.721 -7.780 1.00 0.00 N ATOM 167 CA LEU A 15 1.638 2.746 -6.778 1.00 0.00 C ATOM 168 C LEU A 15 2.928 3.206 -6.105 1.00 0.00 C ATOM 169 O LEU A 15 3.918 2.474 -6.071 1.00 0.00 O ATOM 170 CB LEU A 15 0.662 2.214 -5.727 1.00 0.00 C ATOM 171 CG LEU A 15 -0.600 1.539 -6.264 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.365 0.864 -5.137 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.483 2.550 -6.980 1.00 0.00 C ATOM 0 H LEU A 15 2.754 1.174 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 15 1.188 3.601 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.192 1.500 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.362 3.043 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.302 0.775 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.260 0.389 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.733 0.110 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.651 1.609 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.377 2.051 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.772 3.338 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.934 2.987 -7.814 1.00 0.00 H new ATOM 185 N HIS A 16 2.908 4.422 -5.567 1.00 0.00 N ATOM 186 CA HIS A 16 4.075 4.978 -4.892 1.00 0.00 C ATOM 187 C HIS A 16 4.042 4.659 -3.400 1.00 0.00 C ATOM 188 O HIS A 16 3.260 5.241 -2.648 1.00 0.00 O ATOM 189 CB HIS A 16 4.138 6.491 -5.101 1.00 0.00 C ATOM 190 CG HIS A 16 4.247 6.893 -6.539 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.444 6.932 -7.222 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.298 7.274 -7.426 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.227 7.320 -8.466 1.00 0.00 C ATOM 194 NE2 HIS A 16 3.933 7.534 -8.616 1.00 0.00 N ATOM 0 H HIS A 16 2.097 5.040 -5.586 1.00 0.00 H new ATOM 0 HA HIS A 16 4.966 4.522 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.245 6.946 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.993 6.890 -4.555 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.239 7.358 -7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.980 7.441 -9.230 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.479 7.842 -9.476 1.00 0.00 H new ATOM 203 N PHE A 17 4.896 3.732 -2.979 1.00 0.00 N ATOM 204 CA PHE A 17 4.963 3.335 -1.578 1.00 0.00 C ATOM 205 C PHE A 17 6.039 4.126 -0.839 1.00 0.00 C ATOM 206 O PHE A 17 7.233 3.944 -1.078 1.00 0.00 O ATOM 207 CB PHE A 17 5.249 1.836 -1.464 1.00 0.00 C ATOM 208 CG PHE A 17 5.761 1.424 -0.113 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.915 1.390 0.983 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.090 1.072 0.060 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.383 1.011 2.227 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.564 0.692 1.301 1.00 0.00 C ATOM 213 CZ PHE A 17 6.710 0.663 2.386 1.00 0.00 C ATOM 0 H PHE A 17 5.551 3.242 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 17 3.998 3.551 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.336 1.282 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.980 1.555 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.877 1.663 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.763 1.095 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.712 0.987 3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.602 0.418 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.079 0.369 3.357 1.00 0.00 H new ATOM 223 N ARG A 18 5.606 5.006 0.058 1.00 0.00 N ATOM 224 CA ARG A 18 6.531 5.827 0.831 1.00 0.00 C ATOM 225 C ARG A 18 6.288 5.657 2.328 1.00 0.00 C ATOM 226 O ARG A 18 5.426 6.306 2.919 1.00 0.00 O ATOM 227 CB ARG A 18 6.385 7.299 0.443 1.00 0.00 C ATOM 228 CG ARG A 18 7.504 8.182 0.970 1.00 0.00 C ATOM 229 CD ARG A 18 7.215 9.654 0.725 1.00 0.00 C ATOM 230 NE ARG A 18 8.170 10.521 1.411 1.00 0.00 N ATOM 231 CZ ARG A 18 7.937 11.801 1.682 1.00 0.00 C ATOM 232 NH1 ARG A 18 6.788 12.359 1.327 1.00 0.00 N ATOM 233 NH2 ARG A 18 8.856 12.525 2.309 1.00 0.00 N ATOM 0 H ARG A 18 4.621 5.169 0.267 1.00 0.00 H new ATOM 0 HA ARG A 18 7.546 5.498 0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.353 7.378 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.432 7.672 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.633 8.009 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.442 7.909 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.246 9.856 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.206 9.887 1.064 1.00 0.00 H new ATOM 0 HE ARG A 18 9.064 10.122 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.080 11.806 0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.612 13.342 1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.741 12.099 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.677 13.507 2.517 1.00 0.00 H new ATOM 247 N PRO A 19 7.066 4.762 2.956 1.00 0.00 N ATOM 248 CA PRO A 19 6.955 4.486 4.391 1.00 0.00 C ATOM 249 C PRO A 19 7.439 5.653 5.245 1.00 0.00 C ATOM 250 O PRO A 19 8.413 6.324 4.902 1.00 0.00 O ATOM 251 CB PRO A 19 7.859 3.267 4.589 1.00 0.00 C ATOM 252 CG PRO A 19 8.847 3.344 3.476 1.00 0.00 C ATOM 253 CD PRO A 19 8.114 3.952 2.313 1.00 0.00 C ATOM 0 HA PRO A 19 5.921 4.321 4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.353 3.294 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.288 2.340 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.706 3.954 3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.228 2.354 3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.774 4.564 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.689 3.188 1.662 1.00 0.00 H new ATOM 261 N LEU A 20 6.753 5.889 6.358 1.00 0.00 N ATOM 262 CA LEU A 20 7.114 6.976 7.262 1.00 0.00 C ATOM 263 C LEU A 20 8.219 6.543 8.220 1.00 0.00 C ATOM 264 O LEU A 20 9.279 7.165 8.284 1.00 0.00 O ATOM 265 CB LEU A 20 5.888 7.435 8.054 1.00 0.00 C ATOM 266 CG LEU A 20 4.731 8.000 7.231 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.553 8.343 8.130 1.00 0.00 C ATOM 268 CD2 LEU A 20 5.181 9.225 6.448 1.00 0.00 C ATOM 0 H LEU A 20 5.945 5.343 6.656 1.00 0.00 H new ATOM 0 HA LEU A 20 7.484 7.807 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.517 6.589 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.205 8.195 8.768 1.00 0.00 H new ATOM 0 HG LEU A 20 4.410 7.238 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.739 8.744 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.214 7.444 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.860 9.087 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.344 9.614 5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.530 9.991 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.992 8.948 5.774 1.00 0.00 H new ATOM 280 N VAL A 21 7.965 5.469 8.962 1.00 0.00 N ATOM 281 CA VAL A 21 8.940 4.950 9.915 1.00 0.00 C ATOM 282 C VAL A 21 9.091 3.439 9.778 1.00 0.00 C ATOM 283 O VAL A 21 8.150 2.741 9.398 1.00 0.00 O ATOM 284 CB VAL A 21 8.542 5.286 11.364 1.00 0.00 C ATOM 285 CG1 VAL A 21 9.177 6.596 11.803 1.00 0.00 C ATOM 286 CG2 VAL A 21 7.028 5.346 11.500 1.00 0.00 C ATOM 0 H VAL A 21 7.093 4.942 8.922 1.00 0.00 H new ATOM 0 HA VAL A 21 9.892 5.430 9.687 1.00 0.00 H new ATOM 0 HB VAL A 21 8.912 4.495 12.016 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.884 6.816 12.829 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.262 6.512 11.746 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.841 7.401 11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.764 5.585 12.530 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.633 6.116 10.837 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.600 4.381 11.230 1.00 0.00 H new ATOM 296 N THR A 22 10.282 2.939 10.089 1.00 0.00 N ATOM 297 CA THR A 22 10.558 1.510 10.000 1.00 0.00 C ATOM 298 C THR A 22 11.165 0.986 11.297 1.00 0.00 C ATOM 299 O THR A 22 11.007 -0.186 11.638 1.00 0.00 O ATOM 300 CB THR A 22 11.514 1.194 8.835 1.00 0.00 C ATOM 301 OG1 THR A 22 12.458 2.259 8.672 1.00 0.00 O ATOM 302 CG2 THR A 22 10.741 0.993 7.540 1.00 0.00 C ATOM 0 H THR A 22 11.072 3.502 10.405 1.00 0.00 H new ATOM 0 HA THR A 22 9.604 1.014 9.822 1.00 0.00 H new ATOM 0 HB THR A 22 12.045 0.272 9.070 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.063 2.049 7.930 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.437 0.771 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.044 0.163 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.187 1.901 7.302 1.00 0.00 H new ATOM 310 N ASP A 23 11.860 1.861 12.015 1.00 0.00 N ATOM 311 CA ASP A 23 12.490 1.486 13.276 1.00 0.00 C ATOM 312 C ASP A 23 11.883 2.264 14.439 1.00 0.00 C ATOM 313 O ASP A 23 11.315 3.340 14.252 1.00 0.00 O ATOM 314 CB ASP A 23 13.998 1.735 13.212 1.00 0.00 C ATOM 315 CG ASP A 23 14.735 0.638 12.469 1.00 0.00 C ATOM 316 OD1 ASP A 23 14.301 -0.530 12.554 1.00 0.00 O ATOM 317 OD2 ASP A 23 15.746 0.947 11.804 1.00 0.00 O ATOM 0 H ASP A 23 12.002 2.835 11.746 1.00 0.00 H new ATOM 0 HA ASP A 23 12.312 0.423 13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.185 2.691 12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.394 1.813 14.225 1.00 0.00 H new ATOM 322 N LYS A 24 12.005 1.712 15.642 1.00 0.00 N ATOM 323 CA LYS A 24 11.469 2.353 16.837 1.00 0.00 C ATOM 324 C LYS A 24 12.594 2.879 17.723 1.00 0.00 C ATOM 325 O LYS A 24 13.185 2.132 18.501 1.00 0.00 O ATOM 326 CB LYS A 24 10.603 1.367 17.624 1.00 0.00 C ATOM 327 CG LYS A 24 11.005 -0.085 17.430 1.00 0.00 C ATOM 328 CD LYS A 24 10.196 -1.011 18.323 1.00 0.00 C ATOM 329 CE LYS A 24 10.647 -2.457 18.180 1.00 0.00 C ATOM 330 NZ LYS A 24 10.018 -3.121 17.005 1.00 0.00 N ATOM 0 H LYS A 24 12.471 0.821 15.815 1.00 0.00 H new ATOM 0 HA LYS A 24 10.854 3.196 16.523 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.660 1.612 18.684 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.562 1.490 17.324 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.862 -0.367 16.387 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.066 -0.202 17.649 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.299 -0.698 19.362 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.139 -0.932 18.069 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.732 -2.491 18.078 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.395 -3.007 19.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.351 -4.104 16.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.984 -3.112 17.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.279 -2.611 16.137 1.00 0.00 H new ATOM 344 N GLY A 25 12.883 4.171 17.599 1.00 0.00 N ATOM 345 CA GLY A 25 13.935 4.775 18.396 1.00 0.00 C ATOM 346 C GLY A 25 15.319 4.342 17.954 1.00 0.00 C ATOM 347 O GLY A 25 16.003 3.605 18.664 1.00 0.00 O ATOM 0 H GLY A 25 12.408 4.810 16.961 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.859 5.860 18.330 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.792 4.509 19.443 1.00 0.00 H new ATOM 351 N LYS A 26 15.732 4.798 16.777 1.00 0.00 N ATOM 352 CA LYS A 26 17.043 4.454 16.239 1.00 0.00 C ATOM 353 C LYS A 26 17.327 5.231 14.958 1.00 0.00 C ATOM 354 O LYS A 26 16.585 5.128 13.981 1.00 0.00 O ATOM 355 CB LYS A 26 17.125 2.950 15.965 1.00 0.00 C ATOM 356 CG LYS A 26 18.404 2.529 15.263 1.00 0.00 C ATOM 357 CD LYS A 26 19.501 2.189 16.258 1.00 0.00 C ATOM 358 CE LYS A 26 20.353 3.405 16.586 1.00 0.00 C ATOM 359 NZ LYS A 26 21.348 3.691 15.516 1.00 0.00 N ATOM 0 H LYS A 26 15.177 5.408 16.176 1.00 0.00 H new ATOM 0 HA LYS A 26 17.795 4.724 16.980 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.045 2.412 16.910 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.271 2.653 15.356 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.205 1.664 14.630 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.742 3.332 14.608 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.055 1.798 17.173 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.133 1.400 15.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.709 4.273 16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.872 3.240 17.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 22.168 4.181 15.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 21.659 2.798 15.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.913 4.295 14.789 1.00 0.00 H new ATOM 373 N ARG A 27 18.405 6.008 14.969 1.00 0.00 N ATOM 374 CA ARG A 27 18.787 6.802 13.808 1.00 0.00 C ATOM 375 C ARG A 27 19.643 5.983 12.847 1.00 0.00 C ATOM 376 O ARG A 27 20.616 5.346 13.253 1.00 0.00 O ATOM 377 CB ARG A 27 19.550 8.053 14.247 1.00 0.00 C ATOM 378 CG ARG A 27 21.013 7.793 14.568 1.00 0.00 C ATOM 379 CD ARG A 27 21.741 9.079 14.928 1.00 0.00 C ATOM 380 NE ARG A 27 21.457 9.504 16.296 1.00 0.00 N ATOM 381 CZ ARG A 27 21.926 8.881 17.371 1.00 0.00 C ATOM 382 NH1 ARG A 27 22.697 7.811 17.237 1.00 0.00 N ATOM 383 NH2 ARG A 27 21.624 9.328 18.583 1.00 0.00 N ATOM 0 H ARG A 27 19.030 6.104 15.770 1.00 0.00 H new ATOM 0 HA ARG A 27 17.876 7.103 13.290 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.488 8.802 13.458 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.063 8.475 15.126 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.085 7.088 15.397 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.498 7.327 13.710 1.00 0.00 H new ATOM 0 HD2 ARG A 27 22.815 8.933 14.809 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.448 9.868 14.235 1.00 0.00 H new ATOM 0 HE ARG A 27 20.866 10.324 16.433 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.931 7.464 16.307 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.056 7.334 18.064 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.031 10.151 18.690 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.985 8.849 19.408 1.00 0.00 H new ATOM 397 N VAL A 28 19.274 6.003 11.570 1.00 0.00 N ATOM 398 CA VAL A 28 20.008 5.263 10.550 1.00 0.00 C ATOM 399 C VAL A 28 20.561 6.200 9.482 1.00 0.00 C ATOM 400 O VAL A 28 21.396 5.807 8.668 1.00 0.00 O ATOM 401 CB VAL A 28 19.118 4.202 9.876 1.00 0.00 C ATOM 402 CG1 VAL A 28 18.783 3.087 10.854 1.00 0.00 C ATOM 403 CG2 VAL A 28 17.850 4.841 9.329 1.00 0.00 C ATOM 0 H VAL A 28 18.471 6.524 11.217 1.00 0.00 H new ATOM 0 HA VAL A 28 20.835 4.764 11.055 1.00 0.00 H new ATOM 0 HB VAL A 28 19.668 3.768 9.041 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.154 2.347 10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.703 2.612 11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.251 3.502 11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.233 4.077 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.294 5.303 10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.114 5.601 8.594 1.00 0.00 H new ATOM 413 N GLY A 29 20.089 7.443 9.491 1.00 0.00 N ATOM 414 CA GLY A 29 20.547 8.418 8.518 1.00 0.00 C ATOM 415 C GLY A 29 20.107 9.828 8.859 1.00 0.00 C ATOM 416 O GLY A 29 20.053 10.203 10.029 1.00 0.00 O ATOM 0 H GLY A 29 19.398 7.792 10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 29 21.635 8.384 8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.166 8.150 7.533 1.00 0.00 H new ATOM 420 N GLY A 30 19.792 10.612 7.832 1.00 0.00 N ATOM 421 CA GLY A 30 19.361 11.981 8.049 1.00 0.00 C ATOM 422 C GLY A 30 17.952 12.230 7.549 1.00 0.00 C ATOM 423 O GLY A 30 16.988 12.114 8.306 1.00 0.00 O ATOM 0 H GLY A 30 19.828 10.324 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.412 12.210 9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.048 12.660 7.544 1.00 0.00 H new ATOM 427 N SER A 31 17.831 12.576 6.272 1.00 0.00 N ATOM 428 CA SER A 31 16.530 12.848 5.673 1.00 0.00 C ATOM 429 C SER A 31 15.913 11.571 5.110 1.00 0.00 C ATOM 430 O SER A 31 16.610 10.730 4.542 1.00 0.00 O ATOM 431 CB SER A 31 16.663 13.895 4.565 1.00 0.00 C ATOM 432 OG SER A 31 17.542 13.450 3.546 1.00 0.00 O ATOM 0 H SER A 31 18.619 12.675 5.632 1.00 0.00 H new ATOM 0 HA SER A 31 15.873 13.235 6.452 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.682 14.104 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.033 14.830 4.986 1.00 0.00 H new ATOM 0 HG SER A 31 17.609 14.136 2.849 1.00 0.00 H new ATOM 438 N ILE A 32 14.601 11.434 5.272 1.00 0.00 N ATOM 439 CA ILE A 32 13.890 10.261 4.779 1.00 0.00 C ATOM 440 C ILE A 32 13.930 10.193 3.257 1.00 0.00 C ATOM 441 O ILE A 32 13.954 11.221 2.580 1.00 0.00 O ATOM 442 CB ILE A 32 12.421 10.257 5.244 1.00 0.00 C ATOM 443 CG1 ILE A 32 12.346 10.287 6.772 1.00 0.00 C ATOM 444 CG2 ILE A 32 11.696 9.037 4.696 1.00 0.00 C ATOM 445 CD1 ILE A 32 11.103 10.966 7.303 1.00 0.00 C ATOM 0 H ILE A 32 14.009 12.120 5.740 1.00 0.00 H new ATOM 0 HA ILE A 32 14.396 9.388 5.192 1.00 0.00 H new ATOM 0 HB ILE A 32 11.931 11.151 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.381 9.265 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.225 10.801 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.659 9.048 5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.724 9.056 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.185 8.131 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.117 10.950 8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.076 11.999 6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.219 10.439 6.944 1.00 0.00 H new ATOM 457 N ARG A 33 13.935 8.975 2.724 1.00 0.00 N ATOM 458 CA ARG A 33 13.972 8.773 1.281 1.00 0.00 C ATOM 459 C ARG A 33 12.628 9.125 0.648 1.00 0.00 C ATOM 460 O ARG A 33 11.574 9.031 1.278 1.00 0.00 O ATOM 461 CB ARG A 33 14.335 7.323 0.957 1.00 0.00 C ATOM 462 CG ARG A 33 15.706 6.910 1.469 1.00 0.00 C ATOM 463 CD ARG A 33 16.184 5.627 0.807 1.00 0.00 C ATOM 464 NE ARG A 33 17.628 5.451 0.935 1.00 0.00 N ATOM 465 CZ ARG A 33 18.288 4.410 0.439 1.00 0.00 C ATOM 466 NH1 ARG A 33 17.637 3.458 -0.214 1.00 0.00 N ATOM 467 NH2 ARG A 33 19.603 4.321 0.596 1.00 0.00 N ATOM 0 H ARG A 33 13.914 8.114 3.270 1.00 0.00 H new ATOM 0 HA ARG A 33 14.734 9.433 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.582 6.664 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.302 7.182 -0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.423 7.708 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.665 6.770 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.674 4.775 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.913 5.641 -0.249 1.00 0.00 H new ATOM 0 HE ARG A 33 18.159 6.166 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.627 3.523 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.146 2.660 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.107 5.052 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.109 3.522 0.215 1.00 0.00 H new ATOM 481 N PRO A 34 12.665 9.541 -0.626 1.00 0.00 N ATOM 482 CA PRO A 34 11.459 9.915 -1.372 1.00 0.00 C ATOM 483 C PRO A 34 10.576 8.713 -1.687 1.00 0.00 C ATOM 484 O PRO A 34 10.927 7.575 -1.377 1.00 0.00 O ATOM 485 CB PRO A 34 12.015 10.523 -2.662 1.00 0.00 C ATOM 486 CG PRO A 34 13.357 9.898 -2.828 1.00 0.00 C ATOM 487 CD PRO A 34 13.886 9.677 -1.438 1.00 0.00 C ATOM 0 HA PRO A 34 10.822 10.594 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.369 10.305 -3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.090 11.608 -2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.284 8.956 -3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.021 10.546 -3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.507 8.783 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.500 10.514 -1.104 1.00 0.00 H new ATOM 495 N TRP A 35 9.429 8.974 -2.303 1.00 0.00 N ATOM 496 CA TRP A 35 8.495 7.912 -2.660 1.00 0.00 C ATOM 497 C TRP A 35 9.211 6.777 -3.385 1.00 0.00 C ATOM 498 O TRP A 35 10.279 6.974 -3.965 1.00 0.00 O ATOM 499 CB TRP A 35 7.372 8.466 -3.539 1.00 0.00 C ATOM 500 CG TRP A 35 6.537 9.504 -2.852 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.854 10.820 -2.668 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.250 9.312 -2.255 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.840 11.457 -1.993 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.845 10.554 -1.729 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.399 8.212 -2.116 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.628 10.724 -1.075 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.192 8.382 -1.466 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.815 9.630 -0.953 1.00 0.00 C ATOM 0 H TRP A 35 9.123 9.911 -2.566 1.00 0.00 H new ATOM 0 HA TRP A 35 8.065 7.516 -1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.806 8.898 -4.441 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.729 7.644 -3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.766 11.290 -3.003 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.830 12.443 -1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.680 7.246 -2.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.336 11.685 -0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.528 7.538 -1.351 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.864 9.731 -0.451 1.00 0.00 H new ATOM 519 N LYS A 36 8.618 5.589 -3.347 1.00 0.00 N ATOM 520 CA LYS A 36 9.198 4.423 -4.002 1.00 0.00 C ATOM 521 C LYS A 36 8.157 3.700 -4.851 1.00 0.00 C ATOM 522 O LYS A 36 7.397 2.874 -4.346 1.00 0.00 O ATOM 523 CB LYS A 36 9.777 3.463 -2.960 1.00 0.00 C ATOM 524 CG LYS A 36 10.934 4.049 -2.169 1.00 0.00 C ATOM 525 CD LYS A 36 11.413 3.093 -1.090 1.00 0.00 C ATOM 526 CE LYS A 36 12.242 3.811 -0.036 1.00 0.00 C ATOM 527 NZ LYS A 36 13.607 4.138 -0.534 1.00 0.00 N ATOM 0 H LYS A 36 7.735 5.408 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 36 9.999 4.767 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.987 3.171 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.113 2.556 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.758 4.279 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.624 4.989 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.554 2.617 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.007 2.300 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.735 4.728 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.320 3.186 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.316 3.646 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.698 3.832 -1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.762 5.165 -0.473 1.00 0.00 H new ATOM 541 N GLN A 37 8.129 4.017 -6.141 1.00 0.00 N ATOM 542 CA GLN A 37 7.181 3.397 -7.059 1.00 0.00 C ATOM 543 C GLN A 37 7.537 1.934 -7.304 1.00 0.00 C ATOM 544 O GLN A 37 8.568 1.628 -7.903 1.00 0.00 O ATOM 545 CB GLN A 37 7.153 4.156 -8.387 1.00 0.00 C ATOM 546 CG GLN A 37 6.077 3.669 -9.343 1.00 0.00 C ATOM 547 CD GLN A 37 5.956 4.540 -10.578 1.00 0.00 C ATOM 548 OE1 GLN A 37 6.815 5.381 -10.845 1.00 0.00 O ATOM 549 NE2 GLN A 37 4.886 4.344 -11.339 1.00 0.00 N ATOM 0 H GLN A 37 8.751 4.699 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 37 6.192 3.440 -6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.997 5.216 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.126 4.063 -8.870 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.301 2.646 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.119 3.646 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.199 3.636 -11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.751 4.901 -12.183 1.00 0.00 H new ATOM 558 N MET A 38 6.679 1.035 -6.835 1.00 0.00 N ATOM 559 CA MET A 38 6.903 -0.396 -7.004 1.00 0.00 C ATOM 560 C MET A 38 5.582 -1.159 -6.991 1.00 0.00 C ATOM 561 O MET A 38 4.781 -1.016 -6.067 1.00 0.00 O ATOM 562 CB MET A 38 7.821 -0.924 -5.899 1.00 0.00 C ATOM 563 CG MET A 38 7.325 -0.613 -4.497 1.00 0.00 C ATOM 564 SD MET A 38 8.601 -0.841 -3.243 1.00 0.00 S ATOM 565 CE MET A 38 8.984 -2.577 -3.462 1.00 0.00 C ATOM 0 H MET A 38 5.822 1.272 -6.335 1.00 0.00 H new ATOM 0 HA MET A 38 7.382 -0.552 -7.971 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.923 -2.004 -6.008 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.815 -0.495 -6.028 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.967 0.416 -4.462 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.475 -1.255 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.837 -3.104 -2.519 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.327 -3.002 -4.221 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.021 -2.684 -3.779 1.00 0.00 H new ATOM 575 N TYR A 39 5.362 -1.968 -8.021 1.00 0.00 N ATOM 576 CA TYR A 39 4.136 -2.751 -8.129 1.00 0.00 C ATOM 577 C TYR A 39 3.681 -3.242 -6.759 1.00 0.00 C ATOM 578 O TYR A 39 4.366 -4.035 -6.111 1.00 0.00 O ATOM 579 CB TYR A 39 4.348 -3.942 -9.066 1.00 0.00 C ATOM 580 CG TYR A 39 3.083 -4.406 -9.750 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.265 -5.366 -9.165 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.705 -3.887 -10.982 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.108 -5.794 -9.787 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.549 -4.308 -11.611 1.00 0.00 C ATOM 585 CZ TYR A 39 0.754 -5.262 -11.010 1.00 0.00 C ATOM 586 OH TYR A 39 -0.397 -5.685 -11.633 1.00 0.00 O ATOM 0 H TYR A 39 6.016 -2.099 -8.793 1.00 0.00 H new ATOM 0 HA TYR A 39 3.359 -2.107 -8.540 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.083 -3.671 -9.824 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.768 -4.771 -8.497 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.539 -5.784 -8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.326 -3.141 -11.456 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.484 -6.541 -9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.269 -3.893 -12.568 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.501 -5.211 -12.485 1.00 0.00 H new ATOM 596 N VAL A 40 2.519 -2.766 -6.322 1.00 0.00 N ATOM 597 CA VAL A 40 1.970 -3.157 -5.030 1.00 0.00 C ATOM 598 C VAL A 40 0.789 -4.107 -5.199 1.00 0.00 C ATOM 599 O VAL A 40 -0.206 -3.770 -5.841 1.00 0.00 O ATOM 600 CB VAL A 40 1.514 -1.929 -4.219 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.862 -2.362 -2.915 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.689 -1.000 -3.954 1.00 0.00 C ATOM 0 H VAL A 40 1.940 -2.109 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 40 2.768 -3.666 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 40 0.773 -1.384 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.547 -1.481 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.006 -2.985 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.578 -2.931 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.349 -0.138 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.454 -1.533 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.107 -0.663 -4.902 1.00 0.00 H new ATOM 612 N VAL A 41 0.906 -5.297 -4.618 1.00 0.00 N ATOM 613 CA VAL A 41 -0.152 -6.296 -4.703 1.00 0.00 C ATOM 614 C VAL A 41 -0.821 -6.504 -3.349 1.00 0.00 C ATOM 615 O VAL A 41 -0.160 -6.497 -2.309 1.00 0.00 O ATOM 616 CB VAL A 41 0.390 -7.646 -5.208 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.729 -8.673 -5.294 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.072 -7.475 -6.557 1.00 0.00 C ATOM 0 H VAL A 41 1.723 -5.592 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.887 -5.919 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 41 1.130 -8.010 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.327 -9.620 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.168 -8.816 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.495 -8.320 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.449 -8.439 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.355 -7.088 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.902 -6.775 -6.459 1.00 0.00 H new ATOM 628 N LEU A 42 -2.136 -6.691 -3.367 1.00 0.00 N ATOM 629 CA LEU A 42 -2.896 -6.903 -2.140 1.00 0.00 C ATOM 630 C LEU A 42 -3.537 -8.287 -2.128 1.00 0.00 C ATOM 631 O LEU A 42 -4.433 -8.574 -2.922 1.00 0.00 O ATOM 632 CB LEU A 42 -3.975 -5.828 -1.993 1.00 0.00 C ATOM 633 CG LEU A 42 -5.026 -6.075 -0.910 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.404 -5.961 0.473 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.184 -5.099 -1.059 1.00 0.00 C ATOM 0 H LEU A 42 -2.698 -6.700 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.206 -6.835 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.486 -4.876 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.486 -5.722 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.413 -7.087 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.167 -6.140 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.609 -6.700 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.989 -4.961 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.923 -5.289 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.814 -4.078 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.646 -5.230 -2.037 1.00 0.00 H new ATOM 647 N ARG A 43 -3.073 -9.140 -1.221 1.00 0.00 N ATOM 648 CA ARG A 43 -3.601 -10.494 -1.105 1.00 0.00 C ATOM 649 C ARG A 43 -4.105 -10.762 0.310 1.00 0.00 C ATOM 650 O ARG A 43 -3.336 -11.136 1.194 1.00 0.00 O ATOM 651 CB ARG A 43 -2.526 -11.518 -1.477 1.00 0.00 C ATOM 652 CG ARG A 43 -2.101 -11.452 -2.934 1.00 0.00 C ATOM 653 CD ARG A 43 -0.901 -12.347 -3.205 1.00 0.00 C ATOM 654 NE ARG A 43 -1.300 -13.708 -3.550 1.00 0.00 N ATOM 655 CZ ARG A 43 -0.481 -14.752 -3.489 1.00 0.00 C ATOM 656 NH1 ARG A 43 0.776 -14.591 -3.099 1.00 0.00 N ATOM 657 NH2 ARG A 43 -0.918 -15.961 -3.819 1.00 0.00 N ATOM 0 H ARG A 43 -2.333 -8.918 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.439 -10.590 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.652 -11.361 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.899 -12.519 -1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.933 -11.754 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.856 -10.423 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.311 -11.925 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.259 -12.370 -2.324 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.261 -13.866 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.116 -13.664 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.403 -15.395 -3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.884 -16.090 -4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.288 -16.762 -3.772 1.00 0.00 H new ATOM 671 N GLY A 44 -5.404 -10.565 0.516 1.00 0.00 N ATOM 672 CA GLY A 44 -5.989 -10.789 1.826 1.00 0.00 C ATOM 673 C GLY A 44 -5.679 -9.669 2.798 1.00 0.00 C ATOM 674 O GLY A 44 -6.323 -8.619 2.773 1.00 0.00 O ATOM 0 H GLY A 44 -6.061 -10.255 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.070 -10.890 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.617 -11.730 2.230 1.00 0.00 H new ATOM 678 N HIS A 45 -4.692 -9.891 3.660 1.00 0.00 N ATOM 679 CA HIS A 45 -4.298 -8.892 4.647 1.00 0.00 C ATOM 680 C HIS A 45 -2.800 -8.613 4.571 1.00 0.00 C ATOM 681 O HIS A 45 -2.225 -8.005 5.473 1.00 0.00 O ATOM 682 CB HIS A 45 -4.671 -9.359 6.054 1.00 0.00 C ATOM 683 CG HIS A 45 -6.009 -10.028 6.127 1.00 0.00 C ATOM 684 ND1 HIS A 45 -7.096 -9.622 5.382 1.00 0.00 N ATOM 685 CD2 HIS A 45 -6.432 -11.083 6.863 1.00 0.00 C ATOM 686 CE1 HIS A 45 -8.130 -10.397 5.657 1.00 0.00 C ATOM 687 NE2 HIS A 45 -7.754 -11.292 6.553 1.00 0.00 N ATOM 0 H HIS A 45 -4.150 -10.754 3.695 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.833 -7.969 4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.908 -10.050 6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.666 -8.501 6.726 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -7.101 -8.845 4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.840 -11.654 7.563 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.115 -10.313 5.223 1.00 0.00 H new ATOM 696 N SER A 46 -2.173 -9.064 3.488 1.00 0.00 N ATOM 697 CA SER A 46 -0.741 -8.868 3.297 1.00 0.00 C ATOM 698 C SER A 46 -0.463 -8.137 1.987 1.00 0.00 C ATOM 699 O SER A 46 -1.014 -8.483 0.941 1.00 0.00 O ATOM 700 CB SER A 46 -0.014 -10.214 3.308 1.00 0.00 C ATOM 701 OG SER A 46 -0.387 -10.986 4.436 1.00 0.00 O ATOM 0 H SER A 46 -2.635 -9.567 2.730 1.00 0.00 H new ATOM 0 HA SER A 46 -0.370 -8.257 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.245 -10.763 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.063 -10.049 3.317 1.00 0.00 H new ATOM 0 HG SER A 46 0.090 -11.842 4.419 1.00 0.00 H new ATOM 707 N LEU A 47 0.394 -7.125 2.052 1.00 0.00 N ATOM 708 CA LEU A 47 0.747 -6.343 0.871 1.00 0.00 C ATOM 709 C LEU A 47 2.110 -6.761 0.329 1.00 0.00 C ATOM 710 O LEU A 47 3.128 -6.623 1.008 1.00 0.00 O ATOM 711 CB LEU A 47 0.753 -4.851 1.206 1.00 0.00 C ATOM 712 CG LEU A 47 -0.574 -4.115 1.018 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.497 -2.716 1.611 1.00 0.00 C ATOM 714 CD2 LEU A 47 -0.945 -4.052 -0.456 1.00 0.00 C ATOM 0 H LEU A 47 0.858 -6.826 2.910 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.002 -6.533 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.067 -4.733 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.507 -4.363 0.588 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.352 -4.668 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.450 -2.207 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.278 -2.784 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.293 -2.153 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.892 -3.525 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.166 -3.523 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.043 -5.064 -0.850 1.00 0.00 H new ATOM 726 N TYR A 48 2.122 -7.269 -0.898 1.00 0.00 N ATOM 727 CA TYR A 48 3.361 -7.707 -1.531 1.00 0.00 C ATOM 728 C TYR A 48 3.772 -6.748 -2.644 1.00 0.00 C ATOM 729 O TYR A 48 3.136 -6.692 -3.698 1.00 0.00 O ATOM 730 CB TYR A 48 3.199 -9.120 -2.094 1.00 0.00 C ATOM 731 CG TYR A 48 2.743 -10.132 -1.067 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.553 -10.472 0.010 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.502 -10.748 -1.173 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.141 -11.397 0.949 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.081 -11.673 -0.237 1.00 0.00 C ATOM 736 CZ TYR A 48 1.904 -11.994 0.822 1.00 0.00 C ATOM 737 OH TYR A 48 1.489 -12.915 1.757 1.00 0.00 O ATOM 0 H TYR A 48 1.289 -7.388 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 48 4.144 -7.713 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.479 -9.096 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.150 -9.446 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.521 -10.005 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.855 -10.499 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.784 -11.652 1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.113 -12.142 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 48 0.595 -13.240 1.522 1.00 0.00 H new ATOM 747 N LEU A 49 4.840 -5.996 -2.404 1.00 0.00 N ATOM 748 CA LEU A 49 5.338 -5.039 -3.385 1.00 0.00 C ATOM 749 C LEU A 49 6.408 -5.672 -4.269 1.00 0.00 C ATOM 750 O LEU A 49 6.990 -6.699 -3.917 1.00 0.00 O ATOM 751 CB LEU A 49 5.906 -3.805 -2.681 1.00 0.00 C ATOM 752 CG LEU A 49 4.929 -3.025 -1.801 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.899 -3.602 -0.395 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.302 -1.550 -1.767 1.00 0.00 C ATOM 0 H LEU A 49 5.378 -6.031 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 49 4.503 -4.737 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.748 -4.119 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.301 -3.128 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 49 3.931 -3.117 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.198 -3.034 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.583 -4.644 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.895 -3.542 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.596 -1.011 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.308 -1.438 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.270 -1.143 -2.778 1.00 0.00 H new ATOM 766 N TYR A 50 6.664 -5.052 -5.415 1.00 0.00 N ATOM 767 CA TYR A 50 7.665 -5.555 -6.349 1.00 0.00 C ATOM 768 C TYR A 50 8.282 -4.414 -7.153 1.00 0.00 C ATOM 769 O TYR A 50 7.586 -3.495 -7.585 1.00 0.00 O ATOM 770 CB TYR A 50 7.039 -6.580 -7.296 1.00 0.00 C ATOM 771 CG TYR A 50 6.412 -7.758 -6.584 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.165 -8.878 -6.255 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.065 -7.750 -6.241 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.596 -9.956 -5.606 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.488 -8.823 -5.590 1.00 0.00 C ATOM 776 CZ TYR A 50 5.257 -9.924 -5.275 1.00 0.00 C ATOM 777 OH TYR A 50 4.687 -10.995 -4.627 1.00 0.00 O ATOM 0 H TYR A 50 6.193 -4.200 -5.720 1.00 0.00 H new ATOM 0 HA TYR A 50 8.454 -6.037 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.279 -6.086 -7.902 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.805 -6.945 -7.980 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.214 -8.906 -6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.459 -6.890 -6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.196 -10.819 -5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.440 -8.800 -5.329 1.00 0.00 H new ATOM 0 HH TYR A 50 3.738 -10.812 -4.466 1.00 0.00 H new ATOM 787 N LYS A 51 9.594 -4.480 -7.349 1.00 0.00 N ATOM 788 CA LYS A 51 10.308 -3.456 -8.102 1.00 0.00 C ATOM 789 C LYS A 51 9.883 -3.462 -9.567 1.00 0.00 C ATOM 790 O LYS A 51 9.868 -2.420 -10.223 1.00 0.00 O ATOM 791 CB LYS A 51 11.819 -3.677 -7.998 1.00 0.00 C ATOM 792 CG LYS A 51 12.315 -4.875 -8.790 1.00 0.00 C ATOM 793 CD LYS A 51 13.804 -4.777 -9.077 1.00 0.00 C ATOM 794 CE LYS A 51 14.628 -4.970 -7.813 1.00 0.00 C ATOM 795 NZ LYS A 51 14.664 -6.396 -7.387 1.00 0.00 N ATOM 0 H LYS A 51 10.185 -5.233 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 51 10.058 -2.486 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.333 -2.782 -8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.087 -3.809 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.110 -5.790 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.766 -4.944 -9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.084 -5.530 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.028 -3.804 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.645 -4.617 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.210 -4.362 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.571 -6.452 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.879 -6.912 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.568 -6.822 -7.676 1.00 0.00 H new ATOM 809 N ASP A 52 9.536 -4.640 -10.073 1.00 0.00 N ATOM 810 CA ASP A 52 9.108 -4.780 -11.460 1.00 0.00 C ATOM 811 C ASP A 52 8.038 -5.860 -11.591 1.00 0.00 C ATOM 812 O ASP A 52 8.241 -7.004 -11.183 1.00 0.00 O ATOM 813 CB ASP A 52 10.303 -5.118 -12.354 1.00 0.00 C ATOM 814 CG ASP A 52 10.878 -6.489 -12.058 1.00 0.00 C ATOM 815 OD1 ASP A 52 10.760 -6.945 -10.901 1.00 0.00 O ATOM 816 OD2 ASP A 52 11.446 -7.105 -12.983 1.00 0.00 O ATOM 0 H ASP A 52 9.543 -5.512 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 52 8.682 -3.829 -11.781 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.995 -5.074 -13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.079 -4.365 -12.218 1.00 0.00 H new ATOM 821 N LYS A 53 6.897 -5.488 -12.163 1.00 0.00 N ATOM 822 CA LYS A 53 5.794 -6.424 -12.349 1.00 0.00 C ATOM 823 C LYS A 53 6.152 -7.489 -13.381 1.00 0.00 C ATOM 824 O LYS A 53 5.375 -8.410 -13.631 1.00 0.00 O ATOM 825 CB LYS A 53 4.533 -5.676 -12.789 1.00 0.00 C ATOM 826 CG LYS A 53 4.486 -5.387 -14.279 1.00 0.00 C ATOM 827 CD LYS A 53 3.176 -4.730 -14.679 1.00 0.00 C ATOM 828 CE LYS A 53 3.236 -4.181 -16.096 1.00 0.00 C ATOM 829 NZ LYS A 53 1.881 -4.051 -16.699 1.00 0.00 N ATOM 0 H LYS A 53 6.712 -4.545 -12.506 1.00 0.00 H new ATOM 0 HA LYS A 53 5.603 -6.917 -11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.657 -6.264 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.470 -4.735 -12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.318 -4.737 -14.551 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.613 -6.316 -14.835 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.366 -5.456 -14.603 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.946 -3.922 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.724 -3.207 -16.087 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.847 -4.838 -16.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.965 -3.674 -17.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.424 -4.985 -16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.306 -3.404 -16.123 1.00 0.00 H new ATOM 843 N ARG A 54 7.334 -7.357 -13.975 1.00 0.00 N ATOM 844 CA ARG A 54 7.794 -8.309 -14.979 1.00 0.00 C ATOM 845 C ARG A 54 7.677 -9.741 -14.465 1.00 0.00 C ATOM 846 O ARG A 54 7.272 -10.642 -15.198 1.00 0.00 O ATOM 847 CB ARG A 54 9.244 -8.012 -15.367 1.00 0.00 C ATOM 848 CG ARG A 54 9.888 -9.109 -16.198 1.00 0.00 C ATOM 849 CD ARG A 54 9.500 -8.999 -17.664 1.00 0.00 C ATOM 850 NE ARG A 54 10.253 -7.954 -18.353 1.00 0.00 N ATOM 851 CZ ARG A 54 9.820 -6.706 -18.491 1.00 0.00 C ATOM 852 NH1 ARG A 54 8.646 -6.348 -17.990 1.00 0.00 N ATOM 853 NH2 ARG A 54 10.563 -5.812 -19.132 1.00 0.00 N ATOM 0 H ARG A 54 7.990 -6.601 -13.778 1.00 0.00 H new ATOM 0 HA ARG A 54 7.160 -8.205 -15.860 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.277 -7.077 -15.926 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.831 -7.862 -14.461 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.972 -9.050 -16.102 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.586 -10.083 -15.813 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.673 -9.955 -18.157 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.433 -8.788 -17.742 1.00 0.00 H new ATOM 0 HE ARG A 54 11.161 -8.196 -18.750 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.072 -7.032 -17.497 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.317 -5.389 -18.098 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.467 -6.083 -19.519 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.230 -4.854 -19.238 1.00 0.00 H new ATOM 867 N GLU A 55 8.035 -9.941 -13.200 1.00 0.00 N ATOM 868 CA GLU A 55 7.971 -11.264 -12.590 1.00 0.00 C ATOM 869 C GLU A 55 7.170 -11.225 -11.291 1.00 0.00 C ATOM 870 O GLU A 55 7.722 -10.989 -10.217 1.00 0.00 O ATOM 871 CB GLU A 55 9.381 -11.793 -12.317 1.00 0.00 C ATOM 872 CG GLU A 55 10.230 -11.936 -13.568 1.00 0.00 C ATOM 873 CD GLU A 55 11.702 -12.126 -13.256 1.00 0.00 C ATOM 874 OE1 GLU A 55 12.143 -11.668 -12.181 1.00 0.00 O ATOM 875 OE2 GLU A 55 12.411 -12.731 -14.086 1.00 0.00 O ATOM 0 H GLU A 55 8.372 -9.205 -12.579 1.00 0.00 H new ATOM 0 HA GLU A 55 7.468 -11.934 -13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.884 -11.121 -11.622 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.307 -12.763 -11.825 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.873 -12.786 -14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.106 -11.050 -14.190 1.00 0.00 H new ATOM 882 N GLN A 56 5.866 -11.459 -11.400 1.00 0.00 N ATOM 883 CA GLN A 56 4.989 -11.450 -10.235 1.00 0.00 C ATOM 884 C GLN A 56 5.205 -12.695 -9.382 1.00 0.00 C ATOM 885 O GLN A 56 5.190 -12.629 -8.152 1.00 0.00 O ATOM 886 CB GLN A 56 3.526 -11.365 -10.673 1.00 0.00 C ATOM 887 CG GLN A 56 2.614 -10.739 -9.630 1.00 0.00 C ATOM 888 CD GLN A 56 1.415 -10.044 -10.245 1.00 0.00 C ATOM 889 OE1 GLN A 56 0.268 -10.386 -9.953 1.00 0.00 O ATOM 890 NE2 GLN A 56 1.673 -9.063 -11.101 1.00 0.00 N ATOM 0 H GLN A 56 5.394 -11.657 -12.282 1.00 0.00 H new ATOM 0 HA GLN A 56 5.233 -10.574 -9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.464 -10.784 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.166 -12.367 -10.904 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.269 -11.512 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.183 -10.020 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.639 -8.813 -11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.906 -8.559 -11.546 1.00 0.00 H new ATOM 899 N THR A 57 5.405 -13.832 -10.041 1.00 0.00 N ATOM 900 CA THR A 57 5.623 -15.093 -9.343 1.00 0.00 C ATOM 901 C THR A 57 6.610 -14.922 -8.195 1.00 0.00 C ATOM 902 O THR A 57 6.263 -15.116 -7.029 1.00 0.00 O ATOM 903 CB THR A 57 6.147 -16.181 -10.299 1.00 0.00 C ATOM 904 OG1 THR A 57 5.252 -16.333 -11.406 1.00 0.00 O ATOM 905 CG2 THR A 57 6.298 -17.510 -9.575 1.00 0.00 C ATOM 0 H THR A 57 5.421 -13.905 -11.058 1.00 0.00 H new ATOM 0 HA THR A 57 4.658 -15.405 -8.945 1.00 0.00 H new ATOM 0 HB THR A 57 7.126 -15.872 -10.665 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.593 -17.025 -12.010 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.669 -18.263 -10.270 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.003 -17.398 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.330 -17.823 -9.184 1.00 0.00 H new ATOM 913 N THR A 58 7.844 -14.557 -8.530 1.00 0.00 N ATOM 914 CA THR A 58 8.882 -14.360 -7.527 1.00 0.00 C ATOM 915 C THR A 58 8.357 -13.557 -6.342 1.00 0.00 C ATOM 916 O THR A 58 7.441 -12.744 -6.469 1.00 0.00 O ATOM 917 CB THR A 58 10.107 -13.637 -8.119 1.00 0.00 C ATOM 918 OG1 THR A 58 9.709 -12.384 -8.686 1.00 0.00 O ATOM 919 CG2 THR A 58 10.776 -14.492 -9.185 1.00 0.00 C ATOM 0 H THR A 58 8.148 -14.392 -9.489 1.00 0.00 H new ATOM 0 HA THR A 58 9.183 -15.351 -7.187 1.00 0.00 H new ATOM 0 HB THR A 58 10.822 -13.461 -7.315 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.927 -12.519 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.638 -13.961 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.103 -15.433 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.066 -14.695 -9.987 1.00 0.00 H new ATOM 927 N PRO A 59 8.949 -13.788 -5.161 1.00 0.00 N ATOM 928 CA PRO A 59 8.558 -13.094 -3.930 1.00 0.00 C ATOM 929 C PRO A 59 8.945 -11.620 -3.947 1.00 0.00 C ATOM 930 O PRO A 59 9.465 -11.116 -4.943 1.00 0.00 O ATOM 931 CB PRO A 59 9.334 -13.839 -2.841 1.00 0.00 C ATOM 932 CG PRO A 59 10.514 -14.416 -3.544 1.00 0.00 C ATOM 933 CD PRO A 59 10.047 -14.743 -4.936 1.00 0.00 C ATOM 0 HA PRO A 59 7.478 -13.102 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.640 -13.164 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.725 -14.619 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.341 -13.706 -3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.874 -15.309 -3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.845 -14.617 -5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.704 -15.775 -5.013 1.00 0.00 H new ATOM 941 N SER A 60 8.690 -10.933 -2.839 1.00 0.00 N ATOM 942 CA SER A 60 9.009 -9.514 -2.728 1.00 0.00 C ATOM 943 C SER A 60 10.483 -9.264 -3.031 1.00 0.00 C ATOM 944 O SER A 60 11.233 -10.194 -3.326 1.00 0.00 O ATOM 945 CB SER A 60 8.671 -9.001 -1.327 1.00 0.00 C ATOM 946 OG SER A 60 9.082 -9.924 -0.333 1.00 0.00 O ATOM 0 H SER A 60 8.263 -11.336 -2.005 1.00 0.00 H new ATOM 0 HA SER A 60 8.408 -8.974 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.159 -8.041 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.597 -8.831 -1.248 1.00 0.00 H new ATOM 0 HG SER A 60 9.372 -9.437 0.466 1.00 0.00 H new ATOM 952 N GLU A 61 10.890 -8.001 -2.956 1.00 0.00 N ATOM 953 CA GLU A 61 12.274 -7.628 -3.223 1.00 0.00 C ATOM 954 C GLU A 61 12.904 -6.961 -2.004 1.00 0.00 C ATOM 955 O GLU A 61 12.636 -5.795 -1.714 1.00 0.00 O ATOM 956 CB GLU A 61 12.349 -6.687 -4.428 1.00 0.00 C ATOM 957 CG GLU A 61 11.651 -7.226 -5.665 1.00 0.00 C ATOM 958 CD GLU A 61 12.482 -8.261 -6.399 1.00 0.00 C ATOM 959 OE1 GLU A 61 12.942 -9.223 -5.749 1.00 0.00 O ATOM 960 OE2 GLU A 61 12.671 -8.109 -7.624 1.00 0.00 O ATOM 0 H GLU A 61 10.282 -7.219 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 61 12.831 -8.538 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.904 -5.729 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.396 -6.497 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.698 -7.669 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.427 -6.400 -6.340 1.00 0.00 H new ATOM 967 N GLU A 62 13.741 -7.710 -1.293 1.00 0.00 N ATOM 968 CA GLU A 62 14.407 -7.192 -0.103 1.00 0.00 C ATOM 969 C GLU A 62 13.448 -6.350 0.734 1.00 0.00 C ATOM 970 O GLU A 62 13.872 -5.474 1.487 1.00 0.00 O ATOM 971 CB GLU A 62 15.626 -6.356 -0.498 1.00 0.00 C ATOM 972 CG GLU A 62 16.918 -7.152 -0.553 1.00 0.00 C ATOM 973 CD GLU A 62 18.117 -6.295 -0.909 1.00 0.00 C ATOM 974 OE1 GLU A 62 18.507 -5.447 -0.079 1.00 0.00 O ATOM 975 OE2 GLU A 62 18.666 -6.472 -2.017 1.00 0.00 O ATOM 0 H GLU A 62 13.974 -8.677 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 62 14.736 -8.040 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.446 -5.904 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.742 -5.539 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.089 -7.626 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.817 -7.951 -1.287 1.00 0.00 H new ATOM 982 N GLU A 63 12.154 -6.622 0.594 1.00 0.00 N ATOM 983 CA GLU A 63 11.135 -5.889 1.336 1.00 0.00 C ATOM 984 C GLU A 63 10.139 -6.846 1.983 1.00 0.00 C ATOM 985 O GLU A 63 9.648 -7.774 1.341 1.00 0.00 O ATOM 986 CB GLU A 63 10.399 -4.917 0.411 1.00 0.00 C ATOM 987 CG GLU A 63 11.184 -3.652 0.108 1.00 0.00 C ATOM 988 CD GLU A 63 11.226 -2.696 1.285 1.00 0.00 C ATOM 989 OE1 GLU A 63 11.281 -3.174 2.437 1.00 0.00 O ATOM 990 OE2 GLU A 63 11.204 -1.469 1.052 1.00 0.00 O ATOM 0 H GLU A 63 11.787 -7.344 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 63 11.632 -5.323 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.168 -5.424 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.448 -4.644 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.202 -3.920 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.737 -3.148 -0.749 1.00 0.00 H new ATOM 997 N GLN A 64 9.846 -6.613 3.259 1.00 0.00 N ATOM 998 CA GLN A 64 8.909 -7.455 3.993 1.00 0.00 C ATOM 999 C GLN A 64 7.470 -7.017 3.740 1.00 0.00 C ATOM 1000 O GLN A 64 7.189 -5.850 3.468 1.00 0.00 O ATOM 1001 CB GLN A 64 9.214 -7.407 5.491 1.00 0.00 C ATOM 1002 CG GLN A 64 8.628 -6.192 6.192 1.00 0.00 C ATOM 1003 CD GLN A 64 8.656 -6.319 7.703 1.00 0.00 C ATOM 1004 OE1 GLN A 64 8.698 -7.425 8.243 1.00 0.00 O ATOM 1005 NE2 GLN A 64 8.633 -5.186 8.394 1.00 0.00 N ATOM 0 H GLN A 64 10.244 -5.849 3.805 1.00 0.00 H new ATOM 0 HA GLN A 64 9.025 -8.479 3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.826 -8.310 5.962 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.295 -7.413 5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.185 -5.303 5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.599 -6.048 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.598 -4.291 7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.650 -5.210 9.414 1.00 0.00 H new ATOM 1014 N PRO A 65 6.535 -7.975 3.832 1.00 0.00 N ATOM 1015 CA PRO A 65 5.109 -7.712 3.617 1.00 0.00 C ATOM 1016 C PRO A 65 4.500 -6.873 4.734 1.00 0.00 C ATOM 1017 O PRO A 65 4.862 -7.021 5.902 1.00 0.00 O ATOM 1018 CB PRO A 65 4.489 -9.111 3.599 1.00 0.00 C ATOM 1019 CG PRO A 65 5.426 -9.951 4.398 1.00 0.00 C ATOM 1020 CD PRO A 65 6.798 -9.388 4.152 1.00 0.00 C ATOM 0 HA PRO A 65 4.932 -7.141 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.490 -9.107 4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.390 -9.487 2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.174 -9.916 5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.372 -10.996 4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.437 -9.489 5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.301 -9.899 3.331 1.00 0.00 H new ATOM 1028 N ILE A 66 3.573 -5.994 4.370 1.00 0.00 N ATOM 1029 CA ILE A 66 2.912 -5.133 5.343 1.00 0.00 C ATOM 1030 C ILE A 66 1.499 -5.624 5.641 1.00 0.00 C ATOM 1031 O ILE A 66 0.582 -5.428 4.843 1.00 0.00 O ATOM 1032 CB ILE A 66 2.844 -3.675 4.851 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.251 -3.140 4.579 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.128 -2.804 5.872 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.280 -1.982 3.606 1.00 0.00 C ATOM 0 H ILE A 66 3.262 -5.859 3.408 1.00 0.00 H new ATOM 0 HA ILE A 66 3.508 -5.172 6.255 1.00 0.00 H new ATOM 0 HB ILE A 66 2.279 -3.647 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.699 -2.824 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.869 -3.948 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.088 -1.777 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.114 -3.176 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.668 -2.834 6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.309 -1.654 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.862 -2.299 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.690 -1.157 4.005 1.00 0.00 H new ATOM 1047 N SER A 67 1.331 -6.260 6.795 1.00 0.00 N ATOM 1048 CA SER A 67 0.030 -6.780 7.199 1.00 0.00 C ATOM 1049 C SER A 67 -0.975 -5.647 7.383 1.00 0.00 C ATOM 1050 O SER A 67 -0.865 -4.849 8.314 1.00 0.00 O ATOM 1051 CB SER A 67 0.157 -7.581 8.496 1.00 0.00 C ATOM 1052 OG SER A 67 1.274 -8.452 8.451 1.00 0.00 O ATOM 0 H SER A 67 2.080 -6.428 7.467 1.00 0.00 H new ATOM 0 HA SER A 67 -0.332 -7.438 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.258 -6.899 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.752 -8.159 8.660 1.00 0.00 H new ATOM 0 HG SER A 67 1.334 -8.951 9.292 1.00 0.00 H new ATOM 1058 N VAL A 68 -1.956 -5.584 6.489 1.00 0.00 N ATOM 1059 CA VAL A 68 -2.983 -4.550 6.552 1.00 0.00 C ATOM 1060 C VAL A 68 -4.100 -4.943 7.512 1.00 0.00 C ATOM 1061 O VAL A 68 -5.234 -4.483 7.381 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.587 -4.273 5.163 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.496 -3.915 4.166 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.386 -5.475 4.681 1.00 0.00 C ATOM 0 H VAL A 68 -2.062 -6.237 5.712 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.498 -3.644 6.915 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.264 -3.423 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.943 -3.723 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.971 -3.023 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.791 -4.742 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.806 -5.262 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.732 -6.344 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.194 -5.681 5.384 1.00 0.00 H new ATOM 1074 N ASN A 69 -3.771 -5.796 8.477 1.00 0.00 N ATOM 1075 CA ASN A 69 -4.748 -6.251 9.460 1.00 0.00 C ATOM 1076 C ASN A 69 -5.218 -5.094 10.336 1.00 0.00 C ATOM 1077 O ASN A 69 -4.437 -4.518 11.092 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.147 -7.355 10.332 1.00 0.00 C ATOM 1079 CG ASN A 69 -3.424 -6.803 11.546 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -3.762 -7.128 12.684 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -2.424 -5.963 11.308 1.00 0.00 N ATOM 0 H ASN A 69 -2.836 -6.186 8.599 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.609 -6.649 8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.940 -8.028 10.659 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.452 -7.947 9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.901 -5.559 12.085 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.178 -5.722 10.348 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.500 -4.760 10.227 1.00 0.00 N ATOM 1089 CA ALA A 70 -7.075 -3.674 11.011 1.00 0.00 C ATOM 1090 C ALA A 70 -6.330 -2.366 10.767 1.00 0.00 C ATOM 1091 O ALA A 70 -5.919 -1.689 11.710 1.00 0.00 O ATOM 1092 CB ALA A 70 -7.058 -4.025 12.491 1.00 0.00 C ATOM 0 H ALA A 70 -7.160 -5.226 9.604 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.109 -3.538 10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.490 -3.205 13.064 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.641 -4.931 12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.030 -4.191 12.814 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.159 -2.017 9.497 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.461 -0.790 9.129 1.00 0.00 C ATOM 1100 C CYS A 71 -6.440 0.371 8.986 1.00 0.00 C ATOM 1101 O CYS A 71 -7.590 0.181 8.588 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.692 -0.988 7.822 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.746 -1.136 6.360 1.00 0.00 S ATOM 0 H CYS A 71 -6.494 -2.566 8.705 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.755 -0.551 9.925 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.012 -0.148 7.683 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -4.078 -1.885 7.906 1.00 0.00 H new ATOM 0 HG CYS A 71 -6.924 -0.655 6.624 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.978 1.572 9.315 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.814 2.764 9.225 1.00 0.00 C ATOM 1111 C LEU A 72 -6.431 3.607 8.012 1.00 0.00 C ATOM 1112 O LEU A 72 -5.394 4.270 8.007 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.685 3.599 10.500 1.00 0.00 C ATOM 1114 CG LEU A 72 -7.117 5.062 10.392 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -8.605 5.201 10.672 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -6.308 5.928 11.347 1.00 0.00 C ATOM 0 H LEU A 72 -5.029 1.746 9.646 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.850 2.443 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.276 3.124 11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.645 3.571 10.825 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.927 5.404 9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.894 6.249 10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.168 4.612 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.821 4.842 11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.628 6.966 11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.466 5.587 12.370 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.249 5.852 11.099 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.277 3.577 6.988 1.00 0.00 N ATOM 1129 CA ILE A 73 -7.029 4.341 5.771 1.00 0.00 C ATOM 1130 C ILE A 73 -7.728 5.695 5.820 1.00 0.00 C ATOM 1131 O ILE A 73 -8.816 5.824 6.381 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.503 3.577 4.520 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.527 2.446 4.187 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.645 4.527 3.341 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.103 1.409 3.248 1.00 0.00 C ATOM 0 H ILE A 73 -8.139 3.033 6.976 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.951 4.493 5.708 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.480 3.140 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.629 2.872 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.221 1.957 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.981 3.972 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.375 5.300 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.682 4.991 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.357 0.638 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.984 0.956 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.383 1.885 2.308 1.00 0.00 H new ATOM 1147 N ASP A 74 -7.096 6.702 5.227 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.658 8.048 5.201 1.00 0.00 C ATOM 1149 C ASP A 74 -6.974 8.901 4.137 1.00 0.00 C ATOM 1150 O ASP A 74 -5.747 8.979 4.085 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.517 8.710 6.572 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.370 8.038 7.630 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -7.881 7.081 8.267 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -9.526 8.470 7.821 1.00 0.00 O ATOM 0 H ASP A 74 -6.195 6.612 4.758 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.716 7.969 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.472 8.682 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.798 9.760 6.496 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.777 9.539 3.292 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.249 10.387 2.230 1.00 0.00 C ATOM 1161 C ILE A 75 -6.197 11.351 2.768 1.00 0.00 C ATOM 1162 O ILE A 75 -6.528 12.371 3.373 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.367 11.194 1.545 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.423 10.252 0.962 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.787 12.086 0.458 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.679 10.960 0.507 1.00 0.00 C ATOM 0 H ILE A 75 -8.795 9.485 3.322 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.790 9.724 1.496 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.846 11.828 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.992 9.715 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.687 9.507 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.590 12.650 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.070 12.778 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.285 11.470 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.383 10.231 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.134 11.475 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.428 11.686 -0.266 1.00 0.00 H new ATOM 1178 N SER A 76 -4.930 11.022 2.542 1.00 0.00 N ATOM 1179 CA SER A 76 -3.829 11.858 3.006 1.00 0.00 C ATOM 1180 C SER A 76 -4.142 13.336 2.794 1.00 0.00 C ATOM 1181 O SER A 76 -5.041 13.688 2.029 1.00 0.00 O ATOM 1182 CB SER A 76 -2.537 11.489 2.275 1.00 0.00 C ATOM 1183 OG SER A 76 -2.562 11.946 0.933 1.00 0.00 O ATOM 0 H SER A 76 -4.640 10.183 2.040 1.00 0.00 H new ATOM 0 HA SER A 76 -3.697 11.682 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.684 11.925 2.795 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.402 10.408 2.292 1.00 0.00 H new ATOM 0 HG SER A 76 -3.215 11.424 0.422 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.395 14.197 3.476 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.594 15.637 3.366 1.00 0.00 C ATOM 1191 C TYR A 77 -3.618 16.073 1.904 1.00 0.00 C ATOM 1192 O TYR A 77 -3.450 15.256 0.998 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.489 16.384 4.114 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.110 15.801 3.899 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.661 14.731 4.664 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.257 16.319 2.933 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.597 14.195 4.473 1.00 0.00 C ATOM 1198 CE2 TYR A 77 1.002 15.788 2.733 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.425 14.726 3.506 1.00 0.00 C ATOM 1200 OH TYR A 77 2.680 14.195 3.311 1.00 0.00 O ATOM 0 H TYR A 77 -2.646 13.922 4.111 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.557 15.881 3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.487 17.426 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.715 16.377 5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.307 14.312 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.584 17.152 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.931 13.365 5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.652 16.202 1.976 1.00 0.00 H new ATOM 0 HH TYR A 77 3.134 14.683 2.592 1.00 0.00 H new ATOM 1210 N SER A 78 -3.828 17.366 1.682 1.00 0.00 N ATOM 1211 CA SER A 78 -3.878 17.912 0.331 1.00 0.00 C ATOM 1212 C SER A 78 -2.606 18.693 0.013 1.00 0.00 C ATOM 1213 O SER A 78 -2.214 18.814 -1.147 1.00 0.00 O ATOM 1214 CB SER A 78 -5.100 18.818 0.169 1.00 0.00 C ATOM 1215 OG SER A 78 -5.120 19.830 1.161 1.00 0.00 O ATOM 0 H SER A 78 -3.966 18.056 2.421 1.00 0.00 H new ATOM 0 HA SER A 78 -3.957 17.079 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.089 19.275 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.010 18.222 0.235 1.00 0.00 H new ATOM 0 HG SER A 78 -5.910 20.396 1.035 1.00 0.00 H new ATOM 1221 N GLU A 79 -1.967 19.219 1.053 1.00 0.00 N ATOM 1222 CA GLU A 79 -0.740 19.989 0.884 1.00 0.00 C ATOM 1223 C GLU A 79 0.104 19.425 -0.255 1.00 0.00 C ATOM 1224 O GLU A 79 0.464 20.141 -1.190 1.00 0.00 O ATOM 1225 CB GLU A 79 0.070 19.989 2.182 1.00 0.00 C ATOM 1226 CG GLU A 79 -0.277 21.136 3.116 1.00 0.00 C ATOM 1227 CD GLU A 79 -1.675 21.018 3.691 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -2.084 19.887 4.027 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -2.360 22.056 3.804 1.00 0.00 O ATOM 0 H GLU A 79 -2.278 19.126 2.020 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.015 21.014 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.094 19.045 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.131 20.038 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.446 21.167 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.189 22.079 2.576 1.00 0.00 H new ATOM 1236 N THR A 80 0.418 18.136 -0.169 1.00 0.00 N ATOM 1237 CA THR A 80 1.220 17.475 -1.190 1.00 0.00 C ATOM 1238 C THR A 80 0.553 17.566 -2.558 1.00 0.00 C ATOM 1239 O THR A 80 -0.650 17.343 -2.690 1.00 0.00 O ATOM 1240 CB THR A 80 1.458 15.993 -0.846 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.025 15.313 -1.971 1.00 0.00 O ATOM 1242 CG2 THR A 80 0.158 15.316 -0.440 1.00 0.00 C ATOM 0 H THR A 80 0.129 17.529 0.598 1.00 0.00 H new ATOM 0 HA THR A 80 2.179 17.992 -1.221 1.00 0.00 H new ATOM 0 HB THR A 80 2.152 15.945 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.175 14.372 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.351 14.270 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.255 15.817 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.555 15.375 -1.262 1.00 0.00 H new ATOM 1250 N LYS A 81 1.343 17.894 -3.575 1.00 0.00 N ATOM 1251 CA LYS A 81 0.830 18.012 -4.935 1.00 0.00 C ATOM 1252 C LYS A 81 0.237 16.690 -5.411 1.00 0.00 C ATOM 1253 O LYS A 81 -0.909 16.637 -5.856 1.00 0.00 O ATOM 1254 CB LYS A 81 1.945 18.455 -5.886 1.00 0.00 C ATOM 1255 CG LYS A 81 2.177 19.956 -5.894 1.00 0.00 C ATOM 1256 CD LYS A 81 2.716 20.444 -4.559 1.00 0.00 C ATOM 1257 CE LYS A 81 2.613 21.957 -4.436 1.00 0.00 C ATOM 1258 NZ LYS A 81 3.391 22.473 -3.276 1.00 0.00 N ATOM 0 H LYS A 81 2.341 18.083 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 81 0.041 18.764 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.871 17.954 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.700 18.128 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.880 20.212 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.242 20.469 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.161 19.973 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.757 20.139 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.976 22.422 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.567 22.242 -4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.295 23.507 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.028 22.049 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.394 22.223 -3.392 1.00 0.00 H new ATOM 1272 N ARG A 82 1.025 15.624 -5.311 1.00 0.00 N ATOM 1273 CA ARG A 82 0.578 14.302 -5.731 1.00 0.00 C ATOM 1274 C ARG A 82 -0.912 14.119 -5.457 1.00 0.00 C ATOM 1275 O ARG A 82 -1.363 14.227 -4.316 1.00 0.00 O ATOM 1276 CB ARG A 82 1.377 13.216 -5.008 1.00 0.00 C ATOM 1277 CG ARG A 82 2.827 13.129 -5.453 1.00 0.00 C ATOM 1278 CD ARG A 82 3.711 12.545 -4.362 1.00 0.00 C ATOM 1279 NE ARG A 82 5.012 12.126 -4.877 1.00 0.00 N ATOM 1280 CZ ARG A 82 6.031 12.956 -5.064 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.901 14.245 -4.779 1.00 0.00 N ATOM 1282 NH2 ARG A 82 7.184 12.499 -5.536 1.00 0.00 N ATOM 0 H ARG A 82 1.976 15.651 -4.943 1.00 0.00 H new ATOM 0 HA ARG A 82 0.746 14.214 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.346 13.407 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.896 12.252 -5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.897 12.512 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.187 14.122 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.854 13.286 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.209 11.691 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 82 5.145 11.141 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.017 14.600 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.685 14.881 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.288 11.508 -5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.966 13.138 -5.679 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.673 13.843 -6.510 1.00 0.00 N ATOM 1297 CA LYS A 83 -3.112 13.645 -6.385 1.00 0.00 C ATOM 1298 C LYS A 83 -3.448 12.163 -6.254 1.00 0.00 C ATOM 1299 O LYS A 83 -2.587 11.304 -6.434 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.837 14.238 -7.595 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.584 15.723 -7.788 1.00 0.00 C ATOM 1302 CD LYS A 83 -4.357 16.556 -6.779 1.00 0.00 C ATOM 1303 CE LYS A 83 -5.829 16.655 -7.148 1.00 0.00 C ATOM 1304 NZ LYS A 83 -6.060 17.634 -8.246 1.00 0.00 N ATOM 0 H LYS A 83 -1.317 13.751 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.446 14.157 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.524 13.705 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.908 14.072 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.518 15.927 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.872 16.014 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.258 16.113 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.926 17.556 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.194 15.674 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.404 16.951 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.077 17.685 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.720 18.572 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.545 17.330 -9.097 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.706 11.871 -5.940 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.156 10.492 -5.787 1.00 0.00 C ATOM 1320 C ASN A 84 -4.278 9.742 -4.790 1.00 0.00 C ATOM 1321 O ASN A 84 -3.948 8.573 -4.992 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.140 9.775 -7.138 1.00 0.00 C ATOM 1323 CG ASN A 84 -5.419 10.715 -8.295 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -4.560 10.941 -9.147 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -6.626 11.269 -8.329 1.00 0.00 N ATOM 0 H ASN A 84 -5.432 12.571 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.177 10.509 -5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.169 9.302 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.885 8.979 -7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.872 11.911 -9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.307 11.053 -7.601 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.902 10.422 -3.711 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.064 9.820 -2.681 1.00 0.00 C ATOM 1334 C VAL A 85 -3.868 9.530 -1.419 1.00 0.00 C ATOM 1335 O VAL A 85 -4.697 10.337 -0.998 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.876 10.732 -2.321 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.032 10.101 -1.224 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -1.033 11.020 -3.554 1.00 0.00 C ATOM 0 H VAL A 85 -4.165 11.390 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.684 8.884 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.267 11.678 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.197 10.759 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.644 9.951 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.649 9.140 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.198 11.666 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.650 10.084 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.646 11.517 -4.306 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.617 8.371 -0.818 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.318 7.973 0.397 1.00 0.00 C ATOM 1350 C PHE A 86 -3.330 7.562 1.485 1.00 0.00 C ATOM 1351 O PHE A 86 -2.294 6.960 1.202 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.279 6.819 0.102 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.686 5.756 -0.778 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.319 6.043 -2.083 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.497 4.469 -0.300 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.773 5.067 -2.895 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.951 3.489 -1.108 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.590 3.788 -2.407 1.00 0.00 C ATOM 0 H PHE A 86 -2.934 7.692 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.889 8.830 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.592 6.367 1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.175 7.216 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.461 7.041 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.779 4.229 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.490 5.304 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.807 2.490 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.165 3.023 -3.040 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.659 7.891 2.730 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.801 7.558 3.860 1.00 0.00 C ATOM 1370 C ARG A 87 -3.267 6.272 4.537 1.00 0.00 C ATOM 1371 O ARG A 87 -4.435 6.139 4.904 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.789 8.704 4.874 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.893 8.446 6.074 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.678 9.711 6.891 1.00 0.00 C ATOM 1375 NE ARG A 87 -2.819 10.006 7.754 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.736 10.745 8.854 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.572 11.262 9.224 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -3.819 10.969 9.588 1.00 0.00 N ATOM 0 H ARG A 87 -4.514 8.388 2.981 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.790 7.404 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.460 9.616 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.807 8.880 5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.339 7.676 6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.931 8.062 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.781 9.601 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.505 10.552 6.219 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.729 9.623 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.737 11.092 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.512 11.829 10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.716 10.573 9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.754 11.537 10.433 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.347 5.328 4.698 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.663 4.051 5.329 1.00 0.00 C ATOM 1394 C LEU A 88 -1.757 3.799 6.530 1.00 0.00 C ATOM 1395 O LEU A 88 -0.601 4.225 6.550 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.521 2.911 4.320 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.380 1.507 4.908 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.992 0.473 3.976 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.916 1.186 5.176 1.00 0.00 C ATOM 0 H LEU A 88 -1.376 5.422 4.400 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.695 4.092 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.392 2.923 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.650 3.111 3.696 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.918 1.475 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.882 -0.520 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.050 0.692 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.483 0.505 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.834 0.183 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.356 1.237 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.509 1.908 5.883 1.00 0.00 H new ATOM 1411 N THR A 89 -2.287 3.100 7.529 1.00 0.00 N ATOM 1412 CA THR A 89 -1.526 2.790 8.733 1.00 0.00 C ATOM 1413 C THR A 89 -1.707 1.331 9.136 1.00 0.00 C ATOM 1414 O THR A 89 -2.829 0.868 9.348 1.00 0.00 O ATOM 1415 CB THR A 89 -1.944 3.691 9.910 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.837 5.069 9.533 1.00 0.00 O ATOM 1417 CG2 THR A 89 -1.075 3.425 11.130 1.00 0.00 C ATOM 0 H THR A 89 -3.241 2.738 7.528 1.00 0.00 H new ATOM 0 HA THR A 89 -0.477 2.973 8.500 1.00 0.00 H new ATOM 0 HB THR A 89 -2.979 3.463 10.164 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.106 5.636 10.286 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.389 4.073 11.948 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.180 2.383 11.431 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.032 3.628 10.885 1.00 0.00 H new ATOM 1425 N THR A 90 -0.596 0.608 9.241 1.00 0.00 N ATOM 1426 CA THR A 90 -0.632 -0.799 9.618 1.00 0.00 C ATOM 1427 C THR A 90 -0.090 -1.004 11.028 1.00 0.00 C ATOM 1428 O THR A 90 0.893 -0.377 11.423 1.00 0.00 O ATOM 1429 CB THR A 90 0.181 -1.665 8.637 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.556 -1.265 8.654 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.370 -1.544 7.224 1.00 0.00 C ATOM 0 H THR A 90 0.340 0.975 9.070 1.00 0.00 H new ATOM 0 HA THR A 90 -1.677 -1.108 9.584 1.00 0.00 H new ATOM 0 HB THR A 90 0.102 -2.705 8.953 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.617 -0.297 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.220 -2.164 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.408 -1.877 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.317 -0.504 6.901 1.00 0.00 H new ATOM 1439 N SER A 91 -0.737 -1.886 11.783 1.00 0.00 N ATOM 1440 CA SER A 91 -0.321 -2.171 13.151 1.00 0.00 C ATOM 1441 C SER A 91 1.199 -2.242 13.254 1.00 0.00 C ATOM 1442 O SER A 91 1.772 -2.015 14.319 1.00 0.00 O ATOM 1443 CB SER A 91 -0.938 -3.487 13.630 1.00 0.00 C ATOM 1444 OG SER A 91 -0.844 -3.612 15.039 1.00 0.00 O ATOM 0 H SER A 91 -1.551 -2.415 11.471 1.00 0.00 H new ATOM 0 HA SER A 91 -0.673 -1.359 13.788 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.984 -3.533 13.327 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.430 -4.325 13.153 1.00 0.00 H new ATOM 0 HG SER A 91 -1.247 -4.460 15.320 1.00 0.00 H new ATOM 1450 N ASP A 92 1.847 -2.559 12.138 1.00 0.00 N ATOM 1451 CA ASP A 92 3.301 -2.659 12.099 1.00 0.00 C ATOM 1452 C ASP A 92 3.936 -1.282 11.931 1.00 0.00 C ATOM 1453 O ASP A 92 4.674 -0.818 12.801 1.00 0.00 O ATOM 1454 CB ASP A 92 3.740 -3.580 10.960 1.00 0.00 C ATOM 1455 CG ASP A 92 3.261 -5.006 11.150 1.00 0.00 C ATOM 1456 OD1 ASP A 92 2.066 -5.194 11.459 1.00 0.00 O ATOM 1457 OD2 ASP A 92 4.081 -5.933 10.989 1.00 0.00 O ATOM 0 H ASP A 92 1.388 -2.751 11.248 1.00 0.00 H new ATOM 0 HA ASP A 92 3.637 -3.081 13.046 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.356 -3.194 10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.828 -3.572 10.889 1.00 0.00 H new ATOM 1462 N CYS A 93 3.646 -0.636 10.808 1.00 0.00 N ATOM 1463 CA CYS A 93 4.190 0.687 10.524 1.00 0.00 C ATOM 1464 C CYS A 93 3.218 1.507 9.682 1.00 0.00 C ATOM 1465 O CYS A 93 2.154 1.021 9.298 1.00 0.00 O ATOM 1466 CB CYS A 93 5.532 0.565 9.801 1.00 0.00 C ATOM 1467 SG CYS A 93 6.922 0.163 10.885 1.00 0.00 S ATOM 0 H CYS A 93 3.037 -1.007 10.079 1.00 0.00 H new ATOM 0 HA CYS A 93 4.342 1.201 11.473 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.450 -0.204 9.033 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.744 1.504 9.290 1.00 0.00 H new ATOM 0 HG CYS A 93 6.475 -0.352 11.991 1.00 0.00 H new ATOM 1473 N GLU A 94 3.590 2.752 9.402 1.00 0.00 N ATOM 1474 CA GLU A 94 2.748 3.639 8.607 1.00 0.00 C ATOM 1475 C GLU A 94 3.457 4.055 7.322 1.00 0.00 C ATOM 1476 O GLU A 94 4.639 4.399 7.336 1.00 0.00 O ATOM 1477 CB GLU A 94 2.369 4.880 9.418 1.00 0.00 C ATOM 1478 CG GLU A 94 1.321 5.750 8.745 1.00 0.00 C ATOM 1479 CD GLU A 94 0.982 6.987 9.555 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.201 6.969 10.784 1.00 0.00 O ATOM 1481 OE2 GLU A 94 0.499 7.972 8.959 1.00 0.00 O ATOM 0 H GLU A 94 4.467 3.169 9.713 1.00 0.00 H new ATOM 0 HA GLU A 94 1.841 3.096 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.997 4.567 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.265 5.476 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.682 6.052 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.415 5.165 8.587 1.00 0.00 H new ATOM 1488 N CYS A 95 2.726 4.021 6.213 1.00 0.00 N ATOM 1489 CA CYS A 95 3.285 4.393 4.918 1.00 0.00 C ATOM 1490 C CYS A 95 2.274 5.190 4.099 1.00 0.00 C ATOM 1491 O CYS A 95 1.144 5.414 4.535 1.00 0.00 O ATOM 1492 CB CYS A 95 3.714 3.144 4.146 1.00 0.00 C ATOM 1493 SG CYS A 95 2.337 2.175 3.487 1.00 0.00 S ATOM 0 H CYS A 95 1.746 3.740 6.185 1.00 0.00 H new ATOM 0 HA CYS A 95 4.159 5.020 5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.361 3.444 3.321 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.309 2.510 4.803 1.00 0.00 H new ATOM 0 HG CYS A 95 2.142 2.490 2.241 1.00 0.00 H new ATOM 1499 N LEU A 96 2.689 5.617 2.911 1.00 0.00 N ATOM 1500 CA LEU A 96 1.820 6.391 2.031 1.00 0.00 C ATOM 1501 C LEU A 96 1.679 5.712 0.672 1.00 0.00 C ATOM 1502 O LEU A 96 2.556 4.961 0.247 1.00 0.00 O ATOM 1503 CB LEU A 96 2.373 7.806 1.852 1.00 0.00 C ATOM 1504 CG LEU A 96 1.888 8.848 2.859 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.683 10.137 2.719 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.401 9.115 2.676 1.00 0.00 C ATOM 0 H LEU A 96 3.621 5.441 2.535 1.00 0.00 H new ATOM 0 HA LEU A 96 0.834 6.449 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.461 7.759 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.116 8.151 0.850 1.00 0.00 H new ATOM 0 HG LEU A 96 2.046 8.455 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.323 10.867 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.739 9.935 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.558 10.534 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.073 9.859 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.219 9.487 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.156 8.190 2.828 1.00 0.00 H new ATOM 1518 N PHE A 97 0.569 5.984 -0.006 1.00 0.00 N ATOM 1519 CA PHE A 97 0.312 5.401 -1.318 1.00 0.00 C ATOM 1520 C PHE A 97 -0.275 6.439 -2.270 1.00 0.00 C ATOM 1521 O PHE A 97 -0.923 7.393 -1.840 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.641 4.210 -1.193 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.009 3.000 -0.567 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.893 2.226 -1.280 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.318 2.635 0.733 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.476 1.112 -0.706 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.262 1.522 1.312 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.160 0.759 0.590 1.00 0.00 C ATOM 0 H PHE A 97 -0.167 6.604 0.331 1.00 0.00 H new ATOM 0 HA PHE A 97 1.262 5.056 -1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.505 4.507 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.011 3.945 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.143 2.496 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.020 3.227 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.179 0.518 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.014 1.249 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.614 -0.112 1.039 1.00 0.00 H new ATOM 1538 N GLN A 98 -0.042 6.246 -3.564 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.546 7.166 -4.576 1.00 0.00 C ATOM 1540 C GLN A 98 -1.111 6.405 -5.771 1.00 0.00 C ATOM 1541 O GLN A 98 -0.538 5.410 -6.212 1.00 0.00 O ATOM 1542 CB GLN A 98 0.566 8.110 -5.037 1.00 0.00 C ATOM 1543 CG GLN A 98 0.174 8.979 -6.222 1.00 0.00 C ATOM 1544 CD GLN A 98 1.142 10.122 -6.452 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.000 10.403 -5.615 1.00 0.00 O ATOM 1546 NE2 GLN A 98 1.009 10.790 -7.592 1.00 0.00 N ATOM 0 H GLN A 98 0.492 5.461 -3.936 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.349 7.753 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.854 8.753 -4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.444 7.521 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.126 8.363 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.825 9.382 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.284 10.523 -8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.632 11.570 -7.802 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.239 6.879 -6.289 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.881 6.244 -7.433 1.00 0.00 C ATOM 1557 C ALA A 99 -2.722 7.091 -8.692 1.00 0.00 C ATOM 1558 O ALA A 99 -2.279 8.238 -8.627 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.354 5.998 -7.143 1.00 0.00 C ATOM 0 H ALA A 99 -2.727 7.701 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.392 5.286 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.820 5.523 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.450 5.346 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.848 6.948 -6.940 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.086 6.519 -9.835 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.981 7.222 -11.108 1.00 0.00 C ATOM 1567 C GLU A 100 -4.155 8.179 -11.298 1.00 0.00 C ATOM 1568 O GLU A 100 -3.973 9.328 -11.703 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.931 6.223 -12.265 1.00 0.00 C ATOM 1570 CG GLU A 100 -4.279 5.992 -12.929 1.00 0.00 C ATOM 1571 CD GLU A 100 -4.226 4.918 -13.998 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -3.543 3.896 -13.777 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -4.868 5.098 -15.053 1.00 0.00 O ATOM 0 H GLU A 100 -3.456 5.571 -9.906 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.058 7.802 -11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.224 6.581 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.549 5.271 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.010 5.709 -12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.626 6.925 -13.373 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.357 7.698 -11.003 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.561 8.510 -11.140 1.00 0.00 C ATOM 1582 C ASP A 101 -7.387 8.477 -9.859 1.00 0.00 C ATOM 1583 O ASP A 101 -7.159 7.643 -8.982 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.403 8.016 -12.318 1.00 0.00 C ATOM 1585 CG ASP A 101 -8.237 9.121 -12.936 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -7.823 10.295 -12.850 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -9.305 8.810 -13.505 1.00 0.00 O ATOM 0 H ASP A 101 -5.524 6.749 -10.667 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.256 9.540 -11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.746 7.592 -13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.060 7.214 -11.981 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.348 9.390 -9.757 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.207 9.467 -8.582 1.00 0.00 C ATOM 1594 C ARG A 102 -9.936 8.146 -8.353 1.00 0.00 C ATOM 1595 O ARG A 102 -9.975 7.632 -7.235 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.221 10.601 -8.739 1.00 0.00 C ATOM 1597 CG ARG A 102 -10.987 10.915 -7.463 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.955 12.070 -7.665 1.00 0.00 C ATOM 1599 NE ARG A 102 -12.525 12.533 -6.402 1.00 0.00 N ATOM 1600 CZ ARG A 102 -11.922 13.401 -5.598 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -10.736 13.898 -5.923 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -12.504 13.774 -4.465 1.00 0.00 N ATOM 0 H ARG A 102 -8.551 10.086 -10.474 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.577 9.669 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.700 11.499 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.931 10.336 -9.523 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.536 10.031 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.285 11.162 -6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.438 12.896 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.758 11.758 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.436 12.170 -6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.285 13.614 -6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.275 14.565 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.416 13.394 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.040 14.441 -3.849 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.512 7.603 -9.420 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.240 6.342 -9.336 1.00 0.00 C ATOM 1618 C ASP A 103 -10.308 5.203 -8.932 1.00 0.00 C ATOM 1619 O ASP A 103 -10.657 4.370 -8.096 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.905 6.022 -10.676 1.00 0.00 C ATOM 1621 CG ASP A 103 -13.247 6.709 -10.834 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.265 7.946 -11.005 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -14.280 6.008 -10.788 1.00 0.00 O ATOM 0 H ASP A 103 -10.489 8.016 -10.352 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.011 6.446 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.245 6.328 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.039 4.944 -10.764 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.124 5.173 -9.533 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.142 4.137 -9.236 1.00 0.00 C ATOM 1630 C ASP A 104 -7.835 4.091 -7.742 1.00 0.00 C ATOM 1631 O ASP A 104 -7.730 3.015 -7.154 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.855 4.382 -10.026 1.00 0.00 C ATOM 1633 CG ASP A 104 -7.007 4.050 -11.497 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -7.593 4.872 -12.233 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -6.542 2.968 -11.913 1.00 0.00 O ATOM 0 H ASP A 104 -8.821 5.854 -10.229 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.564 3.176 -9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.561 5.426 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.051 3.780 -9.602 1.00 0.00 H new ATOM 1640 N MET A 105 -7.692 5.265 -7.136 1.00 0.00 N ATOM 1641 CA MET A 105 -7.398 5.357 -5.711 1.00 0.00 C ATOM 1642 C MET A 105 -8.576 4.860 -4.879 1.00 0.00 C ATOM 1643 O MET A 105 -8.420 3.986 -4.025 1.00 0.00 O ATOM 1644 CB MET A 105 -7.063 6.801 -5.331 1.00 0.00 C ATOM 1645 CG MET A 105 -7.029 7.042 -3.830 1.00 0.00 C ATOM 1646 SD MET A 105 -6.827 8.784 -3.411 1.00 0.00 S ATOM 1647 CE MET A 105 -8.364 9.462 -4.031 1.00 0.00 C ATOM 0 H MET A 105 -7.775 6.165 -7.609 1.00 0.00 H new ATOM 0 HA MET A 105 -6.536 4.724 -5.501 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.094 7.064 -5.755 1.00 0.00 H new ATOM 0 HB3 MET A 105 -7.799 7.467 -5.781 1.00 0.00 H new ATOM 0 HG2 MET A 105 -7.952 6.670 -3.385 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.211 6.470 -3.392 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.323 10.551 -3.992 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.514 9.141 -5.062 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.192 9.107 -3.417 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.752 5.422 -5.133 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.957 5.036 -4.407 1.00 0.00 C ATOM 1659 C LEU A 106 -11.099 3.518 -4.355 1.00 0.00 C ATOM 1660 O LEU A 106 -11.399 2.948 -3.306 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.193 5.652 -5.065 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.620 7.023 -4.538 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -12.939 6.948 -3.052 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.536 8.057 -4.800 1.00 0.00 C ATOM 0 H LEU A 106 -9.897 6.147 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.871 5.410 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.005 5.739 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.028 4.962 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.522 7.329 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.241 7.932 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.750 6.238 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.055 6.619 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.858 9.026 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.617 7.756 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.356 8.131 -5.872 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.878 2.869 -5.494 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.977 1.417 -5.577 1.00 0.00 C ATOM 1678 C ALA A 107 -10.072 0.746 -4.549 1.00 0.00 C ATOM 1679 O ALA A 107 -10.484 -0.192 -3.865 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.627 0.944 -6.980 1.00 0.00 C ATOM 0 H ALA A 107 -10.629 3.326 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.006 1.134 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.705 -0.142 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.317 1.389 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.608 1.246 -7.222 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.840 1.230 -4.447 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.877 0.675 -3.503 1.00 0.00 C ATOM 1688 C TRP A 108 -8.360 0.848 -2.067 1.00 0.00 C ATOM 1689 O TRP A 108 -8.464 -0.122 -1.316 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.514 1.345 -3.679 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.652 0.677 -4.707 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.348 1.146 -5.953 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.984 -0.583 -4.577 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.532 0.254 -6.606 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.294 -0.815 -5.783 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.901 -1.537 -3.559 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.533 -1.961 -5.996 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.146 -2.675 -3.773 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.469 -2.879 -4.982 1.00 0.00 C ATOM 0 H TRP A 108 -8.484 2.005 -5.006 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.779 -0.391 -3.708 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.663 2.387 -3.962 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -5.992 1.346 -2.722 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.698 2.081 -6.365 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.163 0.369 -7.550 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.417 -1.388 -2.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.011 -2.120 -6.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.077 -3.420 -2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.885 -3.778 -5.117 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.655 2.089 -1.693 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.129 2.387 -0.347 1.00 0.00 C ATOM 1712 C ILE A 109 -10.235 1.424 0.073 1.00 0.00 C ATOM 1713 O ILE A 109 -10.156 0.793 1.128 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.655 3.831 -0.243 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.538 4.828 -0.560 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.224 4.089 1.144 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.034 6.238 -0.793 1.00 0.00 C ATOM 0 H ILE A 109 -8.574 2.903 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.276 2.270 0.321 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.454 3.964 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.823 4.834 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.001 4.490 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.592 5.114 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.045 3.398 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.444 3.941 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.188 6.890 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.726 6.246 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.546 6.596 0.100 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.264 1.315 -0.759 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.385 0.426 -0.478 1.00 0.00 C ATOM 1731 C LYS A 110 -11.920 -1.023 -0.378 1.00 0.00 C ATOM 1732 O LYS A 110 -12.058 -1.660 0.666 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.453 0.557 -1.567 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.765 -0.123 -1.217 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.913 0.418 -2.052 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.376 1.777 -1.550 1.00 0.00 C ATOM 1737 NZ LYS A 110 -17.104 2.539 -2.601 1.00 0.00 N ATOM 0 H LYS A 110 -11.345 1.832 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.815 0.717 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.640 1.614 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -13.069 0.131 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.673 -1.197 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.982 0.025 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.600 0.501 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.746 -0.284 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.025 1.642 -0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.514 2.353 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.403 3.459 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.477 2.690 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.942 2.001 -2.902 1.00 0.00 H new ATOM 1751 N THR A 111 -11.366 -1.538 -1.472 1.00 0.00 N ATOM 1752 CA THR A 111 -10.880 -2.911 -1.508 1.00 0.00 C ATOM 1753 C THR A 111 -10.129 -3.262 -0.229 1.00 0.00 C ATOM 1754 O THR A 111 -10.532 -4.158 0.513 1.00 0.00 O ATOM 1755 CB THR A 111 -9.954 -3.148 -2.715 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.665 -2.906 -3.934 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.413 -4.570 -2.712 1.00 0.00 C ATOM 0 H THR A 111 -11.243 -1.024 -2.344 1.00 0.00 H new ATOM 0 HA THR A 111 -11.756 -3.554 -1.600 1.00 0.00 H new ATOM 0 HB THR A 111 -9.115 -2.456 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.770 -1.941 -4.065 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.762 -4.713 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.847 -4.742 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.243 -5.275 -2.763 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.036 -2.550 0.024 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.229 -2.786 1.215 1.00 0.00 C ATOM 1767 C ILE A 112 -9.077 -2.697 2.479 1.00 0.00 C ATOM 1768 O ILE A 112 -9.132 -3.639 3.269 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.068 -1.780 1.317 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.234 -1.799 0.034 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.199 -2.095 2.525 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.504 -0.501 -0.231 1.00 0.00 C ATOM 0 H ILE A 112 -8.689 -1.805 -0.580 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.819 -3.792 1.125 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.483 -0.780 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.507 -2.609 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.887 -2.018 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.383 -1.375 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.801 -2.035 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.790 -3.100 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.934 -0.587 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.226 0.310 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.825 -0.290 0.596 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.738 -1.558 2.663 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.585 -1.347 3.831 1.00 0.00 C ATOM 1786 C GLN A 113 -11.511 -2.538 4.055 1.00 0.00 C ATOM 1787 O GLN A 113 -11.769 -2.929 5.192 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.409 -0.069 3.665 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.679 1.188 4.112 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.622 2.256 4.630 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.572 1.964 5.357 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.363 3.505 4.258 1.00 0.00 N ATOM 0 H GLN A 113 -9.703 -0.768 2.019 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.939 -1.244 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.691 0.038 2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.333 -0.165 4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.964 0.930 4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.107 1.588 3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.565 3.702 3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.962 4.267 4.576 1.00 0.00 H new ATOM 1801 N GLU A 114 -12.008 -3.109 2.962 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.906 -4.254 3.041 1.00 0.00 C ATOM 1803 C GLU A 114 -12.192 -5.467 3.631 1.00 0.00 C ATOM 1804 O GLU A 114 -12.732 -6.160 4.493 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.454 -4.597 1.654 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.394 -3.543 1.093 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.801 -3.665 1.643 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -16.547 -4.551 1.174 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.158 -2.875 2.541 1.00 0.00 O ATOM 0 H GLU A 114 -11.804 -2.797 2.013 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.735 -3.988 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.619 -4.731 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.980 -5.550 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.002 -2.552 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.424 -3.629 0.007 1.00 0.00 H new ATOM 1816 N SER A 115 -10.974 -5.716 3.161 1.00 0.00 N ATOM 1817 CA SER A 115 -10.186 -6.846 3.639 1.00 0.00 C ATOM 1818 C SER A 115 -9.874 -6.701 5.125 1.00 0.00 C ATOM 1819 O SER A 115 -10.057 -7.637 5.903 1.00 0.00 O ATOM 1820 CB SER A 115 -8.886 -6.962 2.842 1.00 0.00 C ATOM 1821 OG SER A 115 -9.103 -7.613 1.602 1.00 0.00 O ATOM 0 H SER A 115 -10.511 -5.150 2.449 1.00 0.00 H new ATOM 0 HA SER A 115 -10.773 -7.753 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.473 -5.968 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.148 -7.516 3.423 1.00 0.00 H new ATOM 0 HG SER A 115 -8.257 -7.673 1.111 1.00 0.00 H new ATOM 1827 N SER A 116 -9.402 -5.521 5.512 1.00 0.00 N ATOM 1828 CA SER A 116 -9.060 -5.253 6.904 1.00 0.00 C ATOM 1829 C SER A 116 -10.318 -5.142 7.761 1.00 0.00 C ATOM 1830 O SER A 116 -10.287 -5.399 8.963 1.00 0.00 O ATOM 1831 CB SER A 116 -8.241 -3.965 7.011 1.00 0.00 C ATOM 1832 OG SER A 116 -8.938 -2.869 6.443 1.00 0.00 O ATOM 0 H SER A 116 -9.247 -4.735 4.881 1.00 0.00 H new ATOM 0 HA SER A 116 -8.463 -6.087 7.273 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.020 -3.757 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.285 -4.095 6.503 1.00 0.00 H new ATOM 0 HG SER A 116 -9.786 -3.182 6.064 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.423 -4.758 7.131 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.692 -4.612 7.834 1.00 0.00 C ATOM 1840 C ASN A 117 -13.239 -5.972 8.257 1.00 0.00 C ATOM 1841 O ASN A 117 -12.814 -7.010 7.748 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.711 -3.893 6.948 1.00 0.00 C ATOM 1843 CG ASN A 117 -13.666 -2.387 7.119 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -13.032 -1.875 8.042 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -14.340 -1.669 6.228 1.00 0.00 N ATOM 0 H ASN A 117 -11.465 -4.542 6.135 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.516 -4.016 8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.521 -4.143 5.904 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -14.712 -4.253 7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -14.346 -0.651 6.293 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -14.852 -2.135 5.479 1.00 0.00 H new ATOM 1852 N LEU A 118 -14.185 -5.960 9.189 1.00 0.00 N ATOM 1853 CA LEU A 118 -14.792 -7.192 9.680 1.00 0.00 C ATOM 1854 C LEU A 118 -16.025 -7.557 8.859 1.00 0.00 C ATOM 1855 O LEU A 118 -17.025 -8.028 9.399 1.00 0.00 O ATOM 1856 CB LEU A 118 -15.173 -7.044 11.154 1.00 0.00 C ATOM 1857 CG LEU A 118 -15.602 -5.646 11.600 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -16.585 -5.047 10.606 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -16.212 -5.694 12.993 1.00 0.00 C ATOM 0 H LEU A 118 -14.549 -5.110 9.620 1.00 0.00 H new ATOM 0 HA LEU A 118 -14.060 -7.993 9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -15.986 -7.738 11.370 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.322 -7.352 11.761 1.00 0.00 H new ATOM 0 HG LEU A 118 -14.718 -5.009 11.634 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -16.879 -4.052 10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.114 -4.976 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -17.468 -5.683 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -16.511 -4.690 13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -17.085 -6.346 12.985 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -15.477 -6.080 13.699 1.00 0.00 H new ATOM 1871 N ASN A 119 -15.944 -7.337 7.551 1.00 0.00 N ATOM 1872 CA ASN A 119 -17.053 -7.644 6.655 1.00 0.00 C ATOM 1873 C ASN A 119 -17.769 -8.918 7.092 1.00 0.00 C ATOM 1874 O ASN A 119 -17.270 -10.025 6.886 1.00 0.00 O ATOM 1875 CB ASN A 119 -16.548 -7.797 5.218 1.00 0.00 C ATOM 1876 CG ASN A 119 -16.219 -6.463 4.577 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -15.584 -5.605 5.191 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -16.651 -6.281 3.334 1.00 0.00 N ATOM 0 H ASN A 119 -15.123 -6.948 7.088 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.762 -6.817 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.660 -8.429 5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -17.305 -8.307 4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -16.460 -5.403 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -17.174 -7.019 2.863 1.00 0.00 H new ATOM 1885 N SER A 120 -18.942 -8.755 7.695 1.00 0.00 N ATOM 1886 CA SER A 120 -19.726 -9.891 8.164 1.00 0.00 C ATOM 1887 C SER A 120 -19.573 -11.082 7.223 1.00 0.00 C ATOM 1888 O SER A 120 -19.933 -11.010 6.049 1.00 0.00 O ATOM 1889 CB SER A 120 -21.202 -9.506 8.282 1.00 0.00 C ATOM 1890 OG SER A 120 -21.476 -8.918 9.542 1.00 0.00 O ATOM 0 H SER A 120 -19.371 -7.846 7.870 1.00 0.00 H new ATOM 0 HA SER A 120 -19.353 -10.177 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 120 -21.464 -8.808 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 120 -21.824 -10.391 8.147 1.00 0.00 H new ATOM 0 HG SER A 120 -22.425 -8.679 9.592 1.00 0.00 H new ATOM 1896 N GLY A 121 -19.035 -12.179 7.748 1.00 0.00 N ATOM 1897 CA GLY A 121 -18.843 -13.370 6.942 1.00 0.00 C ATOM 1898 C GLY A 121 -20.091 -13.757 6.173 1.00 0.00 C ATOM 1899 O GLY A 121 -20.201 -13.523 4.969 1.00 0.00 O ATOM 0 H GLY A 121 -18.729 -12.264 8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -18.025 -13.203 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -18.546 -14.197 7.587 1.00 0.00 H new ATOM 1903 N PRO A 122 -21.058 -14.365 6.874 1.00 0.00 N ATOM 1904 CA PRO A 122 -22.321 -14.800 6.269 1.00 0.00 C ATOM 1905 C PRO A 122 -23.210 -13.624 5.877 1.00 0.00 C ATOM 1906 O PRO A 122 -23.984 -13.121 6.690 1.00 0.00 O ATOM 1907 CB PRO A 122 -22.981 -15.622 7.379 1.00 0.00 C ATOM 1908 CG PRO A 122 -22.403 -15.087 8.643 1.00 0.00 C ATOM 1909 CD PRO A 122 -20.994 -14.676 8.312 1.00 0.00 C ATOM 0 HA PRO A 122 -22.161 -15.356 5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -24.065 -15.511 7.362 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -22.767 -16.685 7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -22.982 -14.239 9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -22.415 -15.843 9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -20.680 -13.811 8.897 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -20.283 -15.476 8.519 1.00 0.00 H new ATOM 1917 N SER A 123 -23.093 -13.192 4.625 1.00 0.00 N ATOM 1918 CA SER A 123 -23.884 -12.074 4.126 1.00 0.00 C ATOM 1919 C SER A 123 -25.262 -12.543 3.670 1.00 0.00 C ATOM 1920 O SER A 123 -26.285 -12.018 4.107 1.00 0.00 O ATOM 1921 CB SER A 123 -23.158 -11.385 2.968 1.00 0.00 C ATOM 1922 OG SER A 123 -23.902 -10.281 2.485 1.00 0.00 O ATOM 0 H SER A 123 -22.458 -13.599 3.938 1.00 0.00 H new ATOM 0 HA SER A 123 -24.014 -11.361 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 123 -22.176 -11.049 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 123 -22.995 -12.099 2.161 1.00 0.00 H new ATOM 0 HG SER A 123 -23.416 -9.857 1.747 1.00 0.00 H new ATOM 1928 N SER A 124 -25.279 -13.537 2.787 1.00 0.00 N ATOM 1929 CA SER A 124 -26.530 -14.077 2.267 1.00 0.00 C ATOM 1930 C SER A 124 -27.523 -14.330 3.398 1.00 0.00 C ATOM 1931 O SER A 124 -27.311 -15.199 4.242 1.00 0.00 O ATOM 1932 CB SER A 124 -26.271 -15.374 1.500 1.00 0.00 C ATOM 1933 OG SER A 124 -27.466 -15.873 0.923 1.00 0.00 O ATOM 0 H SER A 124 -24.440 -13.985 2.417 1.00 0.00 H new ATOM 0 HA SER A 124 -26.960 -13.342 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 124 -25.533 -15.197 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 124 -25.849 -16.120 2.173 1.00 0.00 H new ATOM 0 HG SER A 124 -27.273 -16.702 0.437 1.00 0.00 H new ATOM 1939 N GLY A 125 -28.610 -13.564 3.406 1.00 0.00 N ATOM 1940 CA GLY A 125 -29.620 -13.721 4.436 1.00 0.00 C ATOM 1941 C GLY A 125 -30.676 -12.634 4.382 1.00 0.00 C ATOM 1942 O GLY A 125 -31.778 -12.804 4.904 1.00 0.00 O ATOM 0 H GLY A 125 -28.809 -12.838 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -30.099 -14.694 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -29.141 -13.710 5.415 1.00 0.00 H new TER 1946 GLY A 125