USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 83 HIS : no HD1:sc= 1.12 K(o=2.7,f=-6.9!) USER MOD Set 1.2: A 85 TYR OH : rot -20:sc= 1.28 USER MOD Set 1.3: A 90 LYS NZ :NH3+ -173:sc= 0.273 (180deg=0.259) USER MOD Set 2.1: A 50 SER OG : rot -47:sc= 1.71 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -176:sc= 0.981 (180deg=0.301) USER MOD Set 3.1: A 24 HIS : no HE2:sc= -0.63 X(o=0.41,f=0.5) USER MOD Set 3.2: A 86 LYS NZ :NH3+ -178:sc= 1.04 (180deg=1.03) USER MOD Set 4.1: A 16 GLN : amide:sc= 1.22 K(o=1.7,f=-3.8) USER MOD Set 4.2: A 19 LYS NZ :NH3+ -179:sc= 0.464 (180deg=0) USER MOD Single : A 3 SER OG : rot -170:sc= 0.698 USER MOD Single : A 9 SER OG : rot 66:sc= 1.06 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0405) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 0.866 (180deg=0.469) USER MOD Single : A 32 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 34 THR OG1 : rot -80:sc= 0.982 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0626) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 70:sc= 0.987 USER MOD Single : A 51 ASN : amide:sc= 0.00992! X(o=0.0099!,f=-0.032) USER MOD Single : A 53 TYR OH : rot 15:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -174:sc=-0.00778 (180deg=-0.101) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.42 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 136:sc= 0.924 USER MOD Single : A 99 GLN : amide:sc= -0.139 K(o=-0.14,f=-4.3!) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0556) USER MOD Single : A 103 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0931) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.459 K(o=0.46,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 0.330 -8.955 2.834 1.00 0.00 N ATOM 18 CA SER A 3 1.304 -7.893 3.050 1.00 0.00 C ATOM 19 C SER A 3 0.592 -6.534 2.976 1.00 0.00 C ATOM 20 O SER A 3 0.646 -5.862 1.947 1.00 0.00 O ATOM 21 CB SER A 3 2.411 -7.984 1.998 1.00 0.00 C ATOM 22 OG SER A 3 2.953 -9.283 1.923 1.00 0.00 O ATOM 0 HA SER A 3 1.759 -8.000 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.012 -7.699 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.201 -7.273 2.239 1.00 0.00 H new ATOM 0 HG SER A 3 3.752 -9.272 1.356 1.00 0.00 H new ATOM 28 N VAL A 4 -0.090 -6.146 4.056 1.00 0.00 N ATOM 29 CA VAL A 4 -0.903 -4.941 4.155 1.00 0.00 C ATOM 30 C VAL A 4 -0.373 -3.951 5.200 1.00 0.00 C ATOM 31 O VAL A 4 -1.149 -3.228 5.822 1.00 0.00 O ATOM 32 CB VAL A 4 -2.328 -5.391 4.521 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.934 -6.327 3.467 1.00 0.00 C ATOM 34 CG2 VAL A 4 -2.408 -6.040 5.911 1.00 0.00 C ATOM 0 H VAL A 4 -0.088 -6.689 4.920 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.878 -4.411 3.203 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.920 -4.476 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.940 -6.616 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.980 -5.813 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.314 -7.218 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.437 -6.337 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.764 -6.919 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.081 -5.325 6.666 1.00 0.00 H new ATOM 44 N ILE A 5 0.941 -3.889 5.399 1.00 0.00 N ATOM 45 CA ILE A 5 1.532 -3.080 6.462 1.00 0.00 C ATOM 46 C ILE A 5 2.243 -1.841 5.923 1.00 0.00 C ATOM 47 O ILE A 5 2.695 -1.808 4.779 1.00 0.00 O ATOM 48 CB ILE A 5 2.483 -3.940 7.316 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.692 -4.453 6.512 1.00 0.00 C ATOM 50 CG2 ILE A 5 1.696 -5.115 7.919 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.702 -5.173 7.411 1.00 0.00 C ATOM 0 H ILE A 5 1.622 -4.394 4.832 1.00 0.00 H new ATOM 0 HA ILE A 5 0.719 -2.720 7.093 1.00 0.00 H new ATOM 0 HB ILE A 5 2.883 -3.313 8.112 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.349 -5.133 5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.180 -3.616 6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.364 -5.728 8.525 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.890 -4.730 8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.276 -5.721 7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.541 -5.521 6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.064 -4.485 8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.220 -6.026 7.889 1.00 0.00 H new ATOM 63 N VAL A 6 2.327 -0.816 6.774 1.00 0.00 N ATOM 64 CA VAL A 6 3.061 0.409 6.514 1.00 0.00 C ATOM 65 C VAL A 6 4.520 0.129 6.890 1.00 0.00 C ATOM 66 O VAL A 6 4.774 -0.516 7.906 1.00 0.00 O ATOM 67 CB VAL A 6 2.426 1.573 7.303 1.00 0.00 C ATOM 68 CG1 VAL A 6 2.562 1.437 8.826 1.00 0.00 C ATOM 69 CG2 VAL A 6 2.997 2.924 6.861 1.00 0.00 C ATOM 0 H VAL A 6 1.871 -0.823 7.686 1.00 0.00 H new ATOM 0 HA VAL A 6 3.022 0.713 5.468 1.00 0.00 H new ATOM 0 HB VAL A 6 1.363 1.526 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.092 2.292 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.073 0.520 9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.618 1.402 9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.529 3.723 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.074 2.937 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.796 3.075 5.800 1.00 0.00 H new ATOM 79 N ILE A 7 5.470 0.555 6.057 1.00 0.00 N ATOM 80 CA ILE A 7 6.900 0.331 6.291 1.00 0.00 C ATOM 81 C ILE A 7 7.750 1.296 5.480 1.00 0.00 C ATOM 82 O ILE A 7 8.756 1.838 5.934 1.00 0.00 O ATOM 83 CB ILE A 7 7.255 -1.152 6.068 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.718 -1.444 6.445 1.00 0.00 C ATOM 85 CG2 ILE A 7 7.011 -1.601 4.619 1.00 0.00 C ATOM 86 CD1 ILE A 7 9.043 -1.118 7.906 1.00 0.00 C ATOM 0 H ILE A 7 5.270 1.067 5.198 1.00 0.00 H new ATOM 0 HA ILE A 7 7.131 0.549 7.334 1.00 0.00 H new ATOM 0 HB ILE A 7 6.592 -1.719 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.931 -2.497 6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.376 -0.866 5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.277 -2.653 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.959 -1.466 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.624 -1.003 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.090 -1.347 8.106 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.861 -0.059 8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.410 -1.715 8.562 1.00 0.00 H new ATOM 98 N ASP A 8 7.293 1.469 4.254 1.00 0.00 N ATOM 99 CA ASP A 8 7.700 2.465 3.280 1.00 0.00 C ATOM 100 C ASP A 8 9.219 2.635 3.226 1.00 0.00 C ATOM 101 O ASP A 8 9.728 3.752 3.263 1.00 0.00 O ATOM 102 CB ASP A 8 6.994 3.777 3.656 1.00 0.00 C ATOM 103 CG ASP A 8 5.468 3.653 3.659 1.00 0.00 C ATOM 104 OD1 ASP A 8 4.944 2.784 4.395 1.00 0.00 O ATOM 105 OD2 ASP A 8 4.845 4.443 2.921 1.00 0.00 O ATOM 0 H ASP A 8 6.563 0.862 3.881 1.00 0.00 H new ATOM 0 HA ASP A 8 7.412 2.148 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.330 4.094 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.289 4.557 2.953 1.00 0.00 H new ATOM 110 N SER A 9 9.933 1.513 3.121 1.00 0.00 N ATOM 111 CA SER A 9 11.384 1.461 3.067 1.00 0.00 C ATOM 112 C SER A 9 11.780 0.557 1.904 1.00 0.00 C ATOM 113 O SER A 9 11.213 -0.525 1.767 1.00 0.00 O ATOM 114 CB SER A 9 11.915 0.914 4.396 1.00 0.00 C ATOM 115 OG SER A 9 11.522 1.752 5.467 1.00 0.00 O ATOM 0 H SER A 9 9.499 0.591 3.070 1.00 0.00 H new ATOM 0 HA SER A 9 11.810 2.452 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.537 -0.095 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.002 0.845 4.360 1.00 0.00 H new ATOM 0 HG SER A 9 10.548 1.714 5.572 1.00 0.00 H new ATOM 121 N LYS A 10 12.749 0.966 1.078 1.00 0.00 N ATOM 122 CA LYS A 10 13.208 0.198 -0.081 1.00 0.00 C ATOM 123 C LYS A 10 13.508 -1.254 0.303 1.00 0.00 C ATOM 124 O LYS A 10 13.082 -2.195 -0.363 1.00 0.00 O ATOM 125 CB LYS A 10 14.475 0.852 -0.645 1.00 0.00 C ATOM 126 CG LYS A 10 14.809 0.312 -2.042 1.00 0.00 C ATOM 127 CD LYS A 10 15.944 1.094 -2.717 1.00 0.00 C ATOM 128 CE LYS A 10 17.276 0.948 -1.970 1.00 0.00 C ATOM 129 NZ LYS A 10 18.375 1.591 -2.709 1.00 0.00 N ATOM 0 H LYS A 10 13.242 1.851 1.198 1.00 0.00 H new ATOM 0 HA LYS A 10 12.418 0.195 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.338 1.932 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.312 0.667 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.091 -0.738 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.918 0.357 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.064 0.743 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.674 2.149 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.191 1.394 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.501 -0.109 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.263 1.476 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.470 1.148 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.170 2.604 -2.825 1.00 0.00 H new ATOM 143 N ALA A 11 14.236 -1.404 1.410 1.00 0.00 N ATOM 144 CA ALA A 11 14.667 -2.688 1.959 1.00 0.00 C ATOM 145 C ALA A 11 13.498 -3.565 2.433 1.00 0.00 C ATOM 146 O ALA A 11 13.711 -4.725 2.773 1.00 0.00 O ATOM 147 CB ALA A 11 15.632 -2.425 3.118 1.00 0.00 C ATOM 0 H ALA A 11 14.551 -0.609 1.966 1.00 0.00 H new ATOM 0 HA ALA A 11 15.159 -3.243 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.963 -3.375 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.496 -1.869 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.125 -1.844 3.888 1.00 0.00 H new ATOM 153 N ALA A 12 12.287 -3.006 2.518 1.00 0.00 N ATOM 154 CA ALA A 12 11.077 -3.716 2.902 1.00 0.00 C ATOM 155 C ALA A 12 10.158 -3.880 1.691 1.00 0.00 C ATOM 156 O ALA A 12 9.431 -4.867 1.602 1.00 0.00 O ATOM 157 CB ALA A 12 10.369 -2.944 4.012 1.00 0.00 C ATOM 0 H ALA A 12 12.124 -2.020 2.315 1.00 0.00 H new ATOM 0 HA ALA A 12 11.338 -4.708 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.462 -3.474 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.030 -2.858 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.109 -1.948 3.654 1.00 0.00 H new ATOM 163 N TRP A 13 10.159 -2.905 0.778 1.00 0.00 N ATOM 164 CA TRP A 13 9.369 -2.901 -0.447 1.00 0.00 C ATOM 165 C TRP A 13 9.484 -4.253 -1.157 1.00 0.00 C ATOM 166 O TRP A 13 8.474 -4.827 -1.554 1.00 0.00 O ATOM 167 CB TRP A 13 9.821 -1.718 -1.331 1.00 0.00 C ATOM 168 CG TRP A 13 10.004 -1.971 -2.799 1.00 0.00 C ATOM 169 CD1 TRP A 13 11.131 -2.456 -3.368 1.00 0.00 C ATOM 170 CD2 TRP A 13 9.077 -1.739 -3.902 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.963 -2.577 -4.730 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.715 -2.139 -5.114 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.771 -1.213 -4.013 1.00 0.00 C ATOM 174 CZ2 TRP A 13 9.092 -2.034 -6.364 1.00 0.00 C ATOM 175 CZ3 TRP A 13 7.154 -1.059 -5.270 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.802 -1.486 -6.442 1.00 0.00 C ATOM 0 H TRP A 13 10.733 -2.068 0.879 1.00 0.00 H new ATOM 0 HA TRP A 13 8.312 -2.762 -0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.090 -0.917 -1.218 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.766 -1.346 -0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.033 -2.712 -2.832 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.669 -2.942 -5.369 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.237 -0.924 -3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.598 -2.371 -7.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.174 -0.609 -5.334 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.309 -1.393 -7.399 1.00 0.00 H new ATOM 187 N ASP A 14 10.707 -4.769 -1.292 1.00 0.00 N ATOM 188 CA ASP A 14 10.960 -6.054 -1.928 1.00 0.00 C ATOM 189 C ASP A 14 10.429 -7.185 -1.048 1.00 0.00 C ATOM 190 O ASP A 14 9.639 -8.015 -1.492 1.00 0.00 O ATOM 191 CB ASP A 14 12.463 -6.203 -2.214 1.00 0.00 C ATOM 192 CG ASP A 14 13.358 -6.276 -0.980 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.052 -5.535 -0.020 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.316 -7.075 -1.016 1.00 0.00 O ATOM 0 H ASP A 14 11.551 -4.302 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 14 10.434 -6.107 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.615 -7.105 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.785 -5.361 -2.826 1.00 0.00 H new ATOM 199 N ALA A 15 10.853 -7.193 0.214 1.00 0.00 N ATOM 200 CA ALA A 15 10.490 -8.202 1.204 1.00 0.00 C ATOM 201 C ALA A 15 8.981 -8.459 1.207 1.00 0.00 C ATOM 202 O ALA A 15 8.548 -9.609 1.200 1.00 0.00 O ATOM 203 CB ALA A 15 10.971 -7.766 2.590 1.00 0.00 C ATOM 0 H ALA A 15 11.477 -6.476 0.586 1.00 0.00 H new ATOM 0 HA ALA A 15 10.980 -9.139 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.697 -8.523 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.054 -7.647 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.504 -6.817 2.855 1.00 0.00 H new ATOM 209 N GLN A 16 8.192 -7.384 1.188 1.00 0.00 N ATOM 210 CA GLN A 16 6.734 -7.404 1.150 1.00 0.00 C ATOM 211 C GLN A 16 6.220 -8.344 0.059 1.00 0.00 C ATOM 212 O GLN A 16 5.292 -9.119 0.296 1.00 0.00 O ATOM 213 CB GLN A 16 6.233 -5.972 0.916 1.00 0.00 C ATOM 214 CG GLN A 16 5.575 -5.335 2.144 1.00 0.00 C ATOM 215 CD GLN A 16 6.263 -5.625 3.478 1.00 0.00 C ATOM 216 OE1 GLN A 16 5.631 -6.102 4.412 1.00 0.00 O ATOM 217 NE2 GLN A 16 7.559 -5.370 3.588 1.00 0.00 N ATOM 0 H GLN A 16 8.570 -6.437 1.199 1.00 0.00 H new ATOM 0 HA GLN A 16 6.353 -7.779 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.072 -5.351 0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.517 -5.978 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.541 -4.255 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.543 -5.681 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.069 -4.973 2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.046 -5.571 4.461 1.00 0.00 H new ATOM 226 N LEU A 17 6.821 -8.269 -1.128 1.00 0.00 N ATOM 227 CA LEU A 17 6.474 -9.110 -2.263 1.00 0.00 C ATOM 228 C LEU A 17 6.782 -10.580 -1.962 1.00 0.00 C ATOM 229 O LEU A 17 6.017 -11.473 -2.333 1.00 0.00 O ATOM 230 CB LEU A 17 7.258 -8.659 -3.506 1.00 0.00 C ATOM 231 CG LEU A 17 7.192 -7.157 -3.824 1.00 0.00 C ATOM 232 CD1 LEU A 17 8.016 -6.845 -5.079 1.00 0.00 C ATOM 233 CD2 LEU A 17 5.754 -6.700 -4.065 1.00 0.00 C ATOM 0 H LEU A 17 7.574 -7.610 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 17 5.405 -9.011 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.303 -8.939 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.885 -9.211 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 17 7.596 -6.625 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.961 -5.778 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.055 -7.129 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.618 -7.406 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.744 -5.633 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.334 -7.250 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.157 -6.891 -3.173 1.00 0.00 H new ATOM 245 N ALA A 18 7.902 -10.832 -1.281 1.00 0.00 N ATOM 246 CA ALA A 18 8.357 -12.178 -0.974 1.00 0.00 C ATOM 247 C ALA A 18 7.426 -12.819 0.051 1.00 0.00 C ATOM 248 O ALA A 18 6.895 -13.898 -0.194 1.00 0.00 O ATOM 249 CB ALA A 18 9.805 -12.135 -0.485 1.00 0.00 C ATOM 0 H ALA A 18 8.518 -10.100 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 18 8.329 -12.793 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.142 -13.146 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.439 -11.709 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.868 -11.520 0.413 1.00 0.00 H new ATOM 255 N LYS A 19 7.210 -12.152 1.191 1.00 0.00 N ATOM 256 CA LYS A 19 6.282 -12.654 2.202 1.00 0.00 C ATOM 257 C LYS A 19 4.858 -12.666 1.625 1.00 0.00 C ATOM 258 O LYS A 19 4.012 -13.464 2.036 1.00 0.00 O ATOM 259 CB LYS A 19 6.376 -11.818 3.492 1.00 0.00 C ATOM 260 CG LYS A 19 5.953 -10.362 3.282 1.00 0.00 C ATOM 261 CD LYS A 19 5.867 -9.544 4.573 1.00 0.00 C ATOM 262 CE LYS A 19 7.246 -9.099 5.069 1.00 0.00 C ATOM 263 NZ LYS A 19 7.115 -8.086 6.130 1.00 0.00 N ATOM 0 H LYS A 19 7.663 -11.270 1.432 1.00 0.00 H new ATOM 0 HA LYS A 19 6.550 -13.676 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.746 -12.268 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.400 -11.845 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.662 -9.883 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.981 -10.345 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.243 -8.666 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.379 -10.138 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.797 -9.960 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.822 -8.691 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.061 -7.785 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.593 -7.265 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.599 -8.492 6.936 1.00 0.00 H new ATOM 277 N GLY A 20 4.579 -11.760 0.682 1.00 0.00 N ATOM 278 CA GLY A 20 3.308 -11.635 0.012 1.00 0.00 C ATOM 279 C GLY A 20 2.974 -12.891 -0.779 1.00 0.00 C ATOM 280 O GLY A 20 1.915 -13.472 -0.540 1.00 0.00 O ATOM 0 H GLY A 20 5.265 -11.076 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.525 -11.446 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.331 -10.776 -0.658 1.00 0.00 H new ATOM 284 N LYS A 21 3.907 -13.279 -1.660 1.00 0.00 N ATOM 285 CA LYS A 21 3.951 -14.384 -2.619 1.00 0.00 C ATOM 286 C LYS A 21 3.693 -13.802 -4.010 1.00 0.00 C ATOM 287 O LYS A 21 2.583 -13.856 -4.540 1.00 0.00 O ATOM 288 CB LYS A 21 3.029 -15.576 -2.295 1.00 0.00 C ATOM 289 CG LYS A 21 3.696 -16.590 -1.352 1.00 0.00 C ATOM 290 CD LYS A 21 4.089 -16.021 0.016 1.00 0.00 C ATOM 291 CE LYS A 21 4.876 -17.035 0.856 1.00 0.00 C ATOM 292 NZ LYS A 21 4.104 -18.259 1.130 1.00 0.00 N ATOM 0 H LYS A 21 4.773 -12.743 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 21 4.942 -14.834 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.110 -15.208 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.746 -16.076 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.016 -17.429 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.588 -16.986 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.690 -15.122 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.191 -15.723 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.796 -17.299 0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.166 -16.573 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.638 -18.867 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.192 -18.005 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.936 -18.770 0.240 1.00 0.00 H new ATOM 306 N GLU A 22 4.756 -13.245 -4.598 1.00 0.00 N ATOM 307 CA GLU A 22 4.804 -12.657 -5.929 1.00 0.00 C ATOM 308 C GLU A 22 4.759 -13.760 -6.998 1.00 0.00 C ATOM 309 O GLU A 22 5.696 -13.938 -7.774 1.00 0.00 O ATOM 310 CB GLU A 22 6.079 -11.800 -6.023 1.00 0.00 C ATOM 311 CG GLU A 22 6.115 -10.910 -7.276 1.00 0.00 C ATOM 312 CD GLU A 22 7.305 -9.957 -7.303 1.00 0.00 C ATOM 313 OE1 GLU A 22 8.260 -10.193 -6.531 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.234 -8.997 -8.101 1.00 0.00 O ATOM 0 H GLU A 22 5.658 -13.192 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 22 3.938 -12.019 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.154 -11.171 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.951 -12.455 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.145 -11.543 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.193 -10.331 -7.329 1.00 0.00 H new ATOM 321 N GLU A 23 3.668 -14.526 -6.995 1.00 0.00 N ATOM 322 CA GLU A 23 3.380 -15.571 -7.967 1.00 0.00 C ATOM 323 C GLU A 23 2.078 -15.211 -8.684 1.00 0.00 C ATOM 324 O GLU A 23 2.067 -15.045 -9.900 1.00 0.00 O ATOM 325 CB GLU A 23 3.296 -16.947 -7.288 1.00 0.00 C ATOM 326 CG GLU A 23 4.661 -17.438 -6.779 1.00 0.00 C ATOM 327 CD GLU A 23 4.945 -17.029 -5.337 1.00 0.00 C ATOM 328 OE1 GLU A 23 4.410 -17.721 -4.445 1.00 0.00 O ATOM 329 OE2 GLU A 23 5.696 -16.048 -5.144 1.00 0.00 O ATOM 0 H GLU A 23 2.938 -14.430 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 23 4.187 -15.637 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.598 -16.894 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.893 -17.673 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.702 -18.524 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.446 -17.043 -7.424 1.00 0.00 H new ATOM 336 N HIS A 24 0.980 -15.090 -7.929 1.00 0.00 N ATOM 337 CA HIS A 24 -0.320 -14.707 -8.462 1.00 0.00 C ATOM 338 C HIS A 24 -1.111 -14.017 -7.359 1.00 0.00 C ATOM 339 O HIS A 24 -1.793 -14.684 -6.583 1.00 0.00 O ATOM 340 CB HIS A 24 -1.082 -15.923 -9.008 1.00 0.00 C ATOM 341 CG HIS A 24 -2.372 -15.533 -9.695 1.00 0.00 C ATOM 342 ND1 HIS A 24 -2.567 -15.777 -11.056 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.489 -14.908 -9.199 1.00 0.00 C ATOM 344 CE1 HIS A 24 -3.780 -15.284 -11.326 1.00 0.00 C ATOM 345 NE2 HIS A 24 -4.373 -14.759 -10.244 1.00 0.00 N ATOM 0 H HIS A 24 0.975 -15.258 -6.923 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.180 -14.022 -9.298 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.447 -16.461 -9.712 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.302 -16.608 -8.189 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -1.924 -16.232 -11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.645 -14.592 -8.178 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.232 -15.306 -12.307 1.00 0.00 H new ATOM 353 N LYS A 25 -0.997 -12.691 -7.263 1.00 0.00 N ATOM 354 CA LYS A 25 -1.713 -11.877 -6.291 1.00 0.00 C ATOM 355 C LYS A 25 -1.783 -10.436 -6.808 1.00 0.00 C ATOM 356 O LYS A 25 -0.901 -10.041 -7.570 1.00 0.00 O ATOM 357 CB LYS A 25 -0.969 -11.857 -4.943 1.00 0.00 C ATOM 358 CG LYS A 25 -0.864 -13.226 -4.258 1.00 0.00 C ATOM 359 CD LYS A 25 -0.347 -13.139 -2.817 1.00 0.00 C ATOM 360 CE LYS A 25 -1.293 -12.321 -1.933 1.00 0.00 C ATOM 361 NZ LYS A 25 -1.074 -12.581 -0.503 1.00 0.00 N ATOM 0 H LYS A 25 -0.390 -12.145 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.708 -12.299 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.036 -11.466 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.478 -11.166 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.845 -13.702 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.199 -13.866 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.239 -14.143 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.644 -12.684 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.150 -11.259 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.325 -12.558 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.956 -12.407 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.783 -13.571 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.328 -11.950 -0.146 1.00 0.00 H new ATOM 375 N PRO A 26 -2.804 -9.653 -6.418 1.00 0.00 N ATOM 376 CA PRO A 26 -2.893 -8.231 -6.709 1.00 0.00 C ATOM 377 C PRO A 26 -1.948 -7.478 -5.776 1.00 0.00 C ATOM 378 O PRO A 26 -2.196 -7.349 -4.575 1.00 0.00 O ATOM 379 CB PRO A 26 -4.363 -7.856 -6.502 1.00 0.00 C ATOM 380 CG PRO A 26 -4.814 -8.843 -5.428 1.00 0.00 C ATOM 381 CD PRO A 26 -4.031 -10.111 -5.785 1.00 0.00 C ATOM 0 HA PRO A 26 -2.593 -7.974 -7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.475 -6.822 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.941 -7.964 -7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.574 -8.488 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.891 -9.010 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.815 -10.701 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.604 -10.748 -6.458 1.00 0.00 H new ATOM 389 N ILE A 27 -0.844 -7.005 -6.352 1.00 0.00 N ATOM 390 CA ILE A 27 0.187 -6.262 -5.655 1.00 0.00 C ATOM 391 C ILE A 27 -0.102 -4.779 -5.847 1.00 0.00 C ATOM 392 O ILE A 27 0.468 -4.134 -6.725 1.00 0.00 O ATOM 393 CB ILE A 27 1.563 -6.683 -6.196 1.00 0.00 C ATOM 394 CG1 ILE A 27 1.666 -8.219 -6.217 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.685 -6.053 -5.364 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.074 -8.762 -6.456 1.00 0.00 C ATOM 0 H ILE A 27 -0.643 -7.135 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 27 0.194 -6.471 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 27 1.674 -6.320 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.298 -8.607 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.006 -8.603 -6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.651 -6.363 -5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.605 -4.967 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.598 -6.381 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.049 -9.852 -6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.441 -8.409 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.738 -8.413 -5.665 1.00 0.00 H new ATOM 408 N VAL A 28 -1.017 -4.242 -5.046 1.00 0.00 N ATOM 409 CA VAL A 28 -1.401 -2.848 -5.130 1.00 0.00 C ATOM 410 C VAL A 28 -0.386 -2.056 -4.312 1.00 0.00 C ATOM 411 O VAL A 28 -0.229 -2.320 -3.121 1.00 0.00 O ATOM 412 CB VAL A 28 -2.833 -2.652 -4.601 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.317 -1.236 -4.944 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.808 -3.669 -5.213 1.00 0.00 C ATOM 0 H VAL A 28 -1.510 -4.766 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.401 -2.500 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.811 -2.801 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.331 -1.097 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.656 -0.503 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.308 -1.100 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.808 -3.499 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.823 -3.552 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.485 -4.679 -4.962 1.00 0.00 H new ATOM 424 N VAL A 29 0.329 -1.113 -4.927 1.00 0.00 N ATOM 425 CA VAL A 29 1.274 -0.276 -4.203 1.00 0.00 C ATOM 426 C VAL A 29 0.874 1.188 -4.353 1.00 0.00 C ATOM 427 O VAL A 29 0.825 1.723 -5.464 1.00 0.00 O ATOM 428 CB VAL A 29 2.726 -0.551 -4.614 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.983 -0.472 -6.112 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.641 0.436 -3.882 1.00 0.00 C ATOM 0 H VAL A 29 0.268 -0.913 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 29 1.231 -0.528 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 29 2.939 -1.582 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.034 -0.680 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.363 -1.206 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.736 0.527 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.677 0.251 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.367 1.456 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.531 0.305 -2.806 1.00 0.00 H new ATOM 440 N ASP A 30 0.573 1.811 -3.212 1.00 0.00 N ATOM 441 CA ASP A 30 0.197 3.205 -3.112 1.00 0.00 C ATOM 442 C ASP A 30 1.454 4.045 -2.942 1.00 0.00 C ATOM 443 O ASP A 30 1.976 4.185 -1.832 1.00 0.00 O ATOM 444 CB ASP A 30 -0.746 3.413 -1.924 1.00 0.00 C ATOM 445 CG ASP A 30 -1.157 4.870 -1.747 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.870 5.671 -2.663 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.751 5.163 -0.687 1.00 0.00 O ATOM 0 H ASP A 30 0.587 1.336 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.324 3.510 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.638 2.802 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.259 3.064 -1.013 1.00 0.00 H new ATOM 452 N PHE A 31 1.935 4.586 -4.057 1.00 0.00 N ATOM 453 CA PHE A 31 3.019 5.541 -4.052 1.00 0.00 C ATOM 454 C PHE A 31 2.380 6.890 -3.739 1.00 0.00 C ATOM 455 O PHE A 31 1.599 7.386 -4.550 1.00 0.00 O ATOM 456 CB PHE A 31 3.701 5.571 -5.416 1.00 0.00 C ATOM 457 CG PHE A 31 4.509 4.335 -5.746 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.853 4.257 -5.338 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.979 3.348 -6.598 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.676 3.223 -5.814 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.819 2.346 -7.116 1.00 0.00 C ATOM 462 CZ PHE A 31 6.168 2.284 -6.729 1.00 0.00 C ATOM 0 H PHE A 31 1.578 4.369 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 31 3.784 5.284 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.940 5.707 -6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.357 6.440 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.253 4.994 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.930 3.360 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.699 3.149 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.426 1.622 -7.814 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.813 1.518 -7.133 1.00 0.00 H new ATOM 472 N THR A 32 2.682 7.473 -2.579 1.00 0.00 N ATOM 473 CA THR A 32 2.100 8.740 -2.152 1.00 0.00 C ATOM 474 C THR A 32 3.152 9.586 -1.445 1.00 0.00 C ATOM 475 O THR A 32 4.071 9.040 -0.843 1.00 0.00 O ATOM 476 CB THR A 32 0.889 8.437 -1.251 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.219 8.164 -2.070 1.00 0.00 O ATOM 478 CG2 THR A 32 0.468 9.599 -0.355 1.00 0.00 C ATOM 0 H THR A 32 3.340 7.076 -1.908 1.00 0.00 H new ATOM 0 HA THR A 32 1.757 9.319 -3.009 1.00 0.00 H new ATOM 0 HB THR A 32 1.192 7.604 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.142 7.257 -2.432 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.391 9.302 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.295 9.870 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.200 10.456 -0.973 1.00 0.00 H new ATOM 486 N ALA A 33 3.041 10.913 -1.540 1.00 0.00 N ATOM 487 CA ALA A 33 3.908 11.830 -0.815 1.00 0.00 C ATOM 488 C ALA A 33 3.304 12.015 0.577 1.00 0.00 C ATOM 489 O ALA A 33 2.095 12.212 0.695 1.00 0.00 O ATOM 490 CB ALA A 33 4.000 13.169 -1.551 1.00 0.00 C ATOM 0 H ALA A 33 2.345 11.377 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 33 4.920 11.432 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.652 13.845 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.408 13.008 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.006 13.609 -1.632 1.00 0.00 H new ATOM 496 N THR A 34 4.115 11.929 1.629 1.00 0.00 N ATOM 497 CA THR A 34 3.645 12.084 2.998 1.00 0.00 C ATOM 498 C THR A 34 3.161 13.515 3.211 1.00 0.00 C ATOM 499 O THR A 34 2.060 13.746 3.711 1.00 0.00 O ATOM 500 CB THR A 34 4.778 11.731 3.975 1.00 0.00 C ATOM 501 OG1 THR A 34 6.041 11.985 3.390 1.00 0.00 O ATOM 502 CG2 THR A 34 4.698 10.255 4.362 1.00 0.00 C ATOM 0 H THR A 34 5.116 11.750 1.553 1.00 0.00 H new ATOM 0 HA THR A 34 2.811 11.408 3.184 1.00 0.00 H new ATOM 0 HB THR A 34 4.663 12.352 4.863 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.280 11.245 2.793 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.505 10.016 5.054 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.739 10.056 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.793 9.639 3.468 1.00 0.00 H new ATOM 510 N TRP A 35 4.000 14.481 2.842 1.00 0.00 N ATOM 511 CA TRP A 35 3.659 15.885 2.951 1.00 0.00 C ATOM 512 C TRP A 35 2.704 16.233 1.803 1.00 0.00 C ATOM 513 O TRP A 35 3.131 16.392 0.665 1.00 0.00 O ATOM 514 CB TRP A 35 4.943 16.731 2.953 1.00 0.00 C ATOM 515 CG TRP A 35 5.799 16.693 1.721 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.755 15.779 1.439 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.743 17.578 0.558 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.303 16.052 0.204 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.722 17.153 -0.384 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.905 18.646 0.168 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.900 17.785 -1.624 1.00 0.00 C ATOM 522 CZ3 TRP A 35 5.084 19.300 -1.066 1.00 0.00 C ATOM 523 CH2 TRP A 35 6.087 18.879 -1.956 1.00 0.00 C ATOM 0 H TRP A 35 4.930 14.306 2.461 1.00 0.00 H new ATOM 0 HA TRP A 35 3.149 16.104 3.889 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.662 17.768 3.136 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.554 16.413 3.797 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.044 14.961 2.082 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.050 15.504 -0.223 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.113 18.967 0.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.653 17.434 -2.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.446 20.131 -1.330 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.231 19.396 -2.893 1.00 0.00 H new ATOM 534 N CYS A 36 1.401 16.311 2.075 1.00 0.00 N ATOM 535 CA CYS A 36 0.402 16.661 1.069 1.00 0.00 C ATOM 536 C CYS A 36 -0.992 16.565 1.696 1.00 0.00 C ATOM 537 O CYS A 36 -1.295 15.609 2.411 1.00 0.00 O ATOM 538 CB CYS A 36 0.536 15.758 -0.172 1.00 0.00 C ATOM 539 SG CYS A 36 -1.012 15.331 -1.003 1.00 0.00 S ATOM 0 H CYS A 36 1.010 16.133 3.000 1.00 0.00 H new ATOM 0 HA CYS A 36 0.562 17.685 0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.188 16.254 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.034 14.835 0.125 1.00 0.00 H new ATOM 544 N GLY A 37 -1.824 17.588 1.473 1.00 0.00 N ATOM 545 CA GLY A 37 -3.195 17.610 1.965 1.00 0.00 C ATOM 546 C GLY A 37 -3.957 16.429 1.367 1.00 0.00 C ATOM 547 O GLY A 37 -3.677 16.045 0.235 1.00 0.00 O ATOM 0 H GLY A 37 -1.561 18.421 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.205 17.552 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.678 18.548 1.691 1.00 0.00 H new ATOM 551 N PRO A 38 -4.969 15.901 2.067 1.00 0.00 N ATOM 552 CA PRO A 38 -5.654 14.665 1.719 1.00 0.00 C ATOM 553 C PRO A 38 -4.809 13.406 1.443 1.00 0.00 C ATOM 554 O PRO A 38 -5.294 12.327 1.766 1.00 0.00 O ATOM 555 CB PRO A 38 -6.663 15.077 0.659 1.00 0.00 C ATOM 556 CG PRO A 38 -7.165 16.390 1.287 1.00 0.00 C ATOM 557 CD PRO A 38 -6.088 16.800 2.314 1.00 0.00 C ATOM 0 HA PRO A 38 -6.144 14.246 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.206 15.228 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.458 14.343 0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.297 17.162 0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.132 16.249 1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.794 17.841 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.457 16.699 3.335 1.00 0.00 H new ATOM 565 N CYS A 39 -3.568 13.466 0.948 1.00 0.00 N ATOM 566 CA CYS A 39 -2.693 12.290 0.830 1.00 0.00 C ATOM 567 C CYS A 39 -2.666 11.572 2.181 1.00 0.00 C ATOM 568 O CYS A 39 -2.829 10.354 2.284 1.00 0.00 O ATOM 569 CB CYS A 39 -1.255 12.691 0.478 1.00 0.00 C ATOM 570 SG CYS A 39 -0.924 13.263 -1.204 1.00 0.00 S ATOM 0 H CYS A 39 -3.140 14.331 0.617 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.082 11.651 0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.950 13.480 1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.612 11.833 0.672 1.00 0.00 H new ATOM 575 N LYS A 40 -2.498 12.389 3.224 1.00 0.00 N ATOM 576 CA LYS A 40 -2.454 11.990 4.618 1.00 0.00 C ATOM 577 C LYS A 40 -3.710 11.213 5.046 1.00 0.00 C ATOM 578 O LYS A 40 -3.641 10.453 6.006 1.00 0.00 O ATOM 579 CB LYS A 40 -2.266 13.264 5.462 1.00 0.00 C ATOM 580 CG LYS A 40 -1.545 12.998 6.790 1.00 0.00 C ATOM 581 CD LYS A 40 -0.028 12.853 6.575 1.00 0.00 C ATOM 582 CE LYS A 40 0.706 12.494 7.873 1.00 0.00 C ATOM 583 NZ LYS A 40 0.553 13.537 8.904 1.00 0.00 N ATOM 0 H LYS A 40 -2.384 13.396 3.104 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.621 11.304 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.699 13.995 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.241 13.706 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.741 13.815 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.940 12.090 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.160 12.082 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.373 13.786 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.323 11.548 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.765 12.347 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.146 13.303 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.847 14.455 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.443 13.589 9.200 1.00 0.00 H new ATOM 597 N MET A 41 -4.854 11.435 4.385 1.00 0.00 N ATOM 598 CA MET A 41 -6.120 10.746 4.633 1.00 0.00 C ATOM 599 C MET A 41 -6.235 9.502 3.741 1.00 0.00 C ATOM 600 O MET A 41 -6.647 8.427 4.177 1.00 0.00 O ATOM 601 CB MET A 41 -7.287 11.708 4.363 1.00 0.00 C ATOM 602 CG MET A 41 -7.221 12.963 5.242 1.00 0.00 C ATOM 603 SD MET A 41 -8.504 14.188 4.879 1.00 0.00 S ATOM 604 CE MET A 41 -8.102 15.429 6.128 1.00 0.00 C ATOM 0 H MET A 41 -4.922 12.125 3.637 1.00 0.00 H new ATOM 0 HA MET A 41 -6.155 10.424 5.674 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.278 12.001 3.313 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.230 11.191 4.541 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.303 12.666 6.288 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.243 13.429 5.119 1.00 0.00 H new ATOM 0 HE1 MET A 41 -8.799 16.264 6.049 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.179 14.985 7.120 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.085 15.789 5.969 1.00 0.00 H new ATOM 614 N ILE A 42 -5.864 9.666 2.472 1.00 0.00 N ATOM 615 CA ILE A 42 -5.913 8.641 1.441 1.00 0.00 C ATOM 616 C ILE A 42 -5.105 7.417 1.871 1.00 0.00 C ATOM 617 O ILE A 42 -5.566 6.292 1.683 1.00 0.00 O ATOM 618 CB ILE A 42 -5.451 9.250 0.106 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.532 10.242 -0.366 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.227 8.155 -0.946 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.005 11.259 -1.378 1.00 0.00 C ATOM 0 H ILE A 42 -5.507 10.556 2.124 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.934 8.286 1.296 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.501 9.767 0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.357 9.687 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.934 10.771 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.901 8.610 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.463 7.463 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.158 7.613 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.812 11.930 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.199 11.837 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.628 10.736 -2.257 1.00 0.00 H new ATOM 633 N ALA A 43 -3.919 7.616 2.457 1.00 0.00 N ATOM 634 CA ALA A 43 -3.135 6.496 2.972 1.00 0.00 C ATOM 635 C ALA A 43 -3.987 5.676 3.971 1.00 0.00 C ATOM 636 O ALA A 43 -4.220 4.497 3.708 1.00 0.00 O ATOM 637 CB ALA A 43 -1.799 7.002 3.528 1.00 0.00 C ATOM 0 H ALA A 43 -3.488 8.532 2.584 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.872 5.804 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.221 6.160 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.239 7.497 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.986 7.710 4.336 1.00 0.00 H new ATOM 643 N PRO A 44 -4.482 6.248 5.088 1.00 0.00 N ATOM 644 CA PRO A 44 -5.398 5.580 6.006 1.00 0.00 C ATOM 645 C PRO A 44 -6.561 4.878 5.308 1.00 0.00 C ATOM 646 O PRO A 44 -6.884 3.740 5.634 1.00 0.00 O ATOM 647 CB PRO A 44 -5.931 6.664 6.942 1.00 0.00 C ATOM 648 CG PRO A 44 -4.819 7.704 6.971 1.00 0.00 C ATOM 649 CD PRO A 44 -4.040 7.503 5.668 1.00 0.00 C ATOM 0 HA PRO A 44 -4.861 4.792 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.864 7.088 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.133 6.268 7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.226 8.713 7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.175 7.566 7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.222 8.329 4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.968 7.480 5.861 1.00 0.00 H new ATOM 657 N LEU A 45 -7.216 5.556 4.367 1.00 0.00 N ATOM 658 CA LEU A 45 -8.336 4.976 3.627 1.00 0.00 C ATOM 659 C LEU A 45 -7.905 3.685 2.930 1.00 0.00 C ATOM 660 O LEU A 45 -8.504 2.624 3.115 1.00 0.00 O ATOM 661 CB LEU A 45 -8.852 5.983 2.593 1.00 0.00 C ATOM 662 CG LEU A 45 -9.695 7.117 3.202 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.070 8.121 2.104 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.992 6.609 3.847 1.00 0.00 C ATOM 0 H LEU A 45 -6.989 6.513 4.098 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.136 4.741 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.002 6.417 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.451 5.454 1.852 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.087 7.581 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.667 8.925 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.163 8.537 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.647 7.615 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.547 7.451 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.601 6.108 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.751 5.907 4.645 1.00 0.00 H new ATOM 676 N PHE A 46 -6.856 3.778 2.117 1.00 0.00 N ATOM 677 CA PHE A 46 -6.296 2.636 1.412 1.00 0.00 C ATOM 678 C PHE A 46 -5.887 1.553 2.422 1.00 0.00 C ATOM 679 O PHE A 46 -6.093 0.368 2.173 1.00 0.00 O ATOM 680 CB PHE A 46 -5.135 3.139 0.553 1.00 0.00 C ATOM 681 CG PHE A 46 -4.215 2.065 0.003 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.652 1.215 -1.031 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.884 1.987 0.448 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.745 0.332 -1.646 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.004 1.036 -0.103 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.419 0.240 -1.184 1.00 0.00 C ATOM 0 H PHE A 46 -6.370 4.655 1.930 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.026 2.170 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.544 3.706 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.540 3.833 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.683 1.241 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.534 2.660 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.068 -0.278 -2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.011 0.918 0.305 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.725 -0.438 -1.657 1.00 0.00 H new ATOM 696 N GLU A 47 -5.351 1.944 3.582 1.00 0.00 N ATOM 697 CA GLU A 47 -5.000 1.006 4.641 1.00 0.00 C ATOM 698 C GLU A 47 -6.267 0.342 5.201 1.00 0.00 C ATOM 699 O GLU A 47 -6.266 -0.850 5.495 1.00 0.00 O ATOM 700 CB GLU A 47 -4.199 1.734 5.729 1.00 0.00 C ATOM 701 CG GLU A 47 -3.617 0.751 6.752 1.00 0.00 C ATOM 702 CD GLU A 47 -2.583 1.435 7.640 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.013 2.247 8.488 1.00 0.00 O ATOM 704 OE2 GLU A 47 -1.382 1.152 7.439 1.00 0.00 O ATOM 0 H GLU A 47 -5.150 2.918 3.809 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.370 0.212 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.391 2.302 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.843 2.451 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.419 0.345 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.157 -0.090 6.233 1.00 0.00 H new ATOM 711 N THR A 48 -7.367 1.081 5.337 1.00 0.00 N ATOM 712 CA THR A 48 -8.626 0.509 5.800 1.00 0.00 C ATOM 713 C THR A 48 -9.044 -0.572 4.797 1.00 0.00 C ATOM 714 O THR A 48 -9.388 -1.690 5.180 1.00 0.00 O ATOM 715 CB THR A 48 -9.685 1.610 5.962 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.179 2.649 6.780 1.00 0.00 O ATOM 717 CG2 THR A 48 -10.949 1.064 6.630 1.00 0.00 C ATOM 0 H THR A 48 -7.410 2.079 5.132 1.00 0.00 H new ATOM 0 HA THR A 48 -8.514 0.051 6.783 1.00 0.00 H new ATOM 0 HB THR A 48 -9.927 1.982 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.473 3.129 6.300 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.681 1.865 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.368 0.265 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.699 0.673 7.616 1.00 0.00 H new ATOM 725 N LEU A 49 -8.965 -0.261 3.498 1.00 0.00 N ATOM 726 CA LEU A 49 -9.264 -1.244 2.463 1.00 0.00 C ATOM 727 C LEU A 49 -8.287 -2.425 2.582 1.00 0.00 C ATOM 728 O LEU A 49 -8.687 -3.580 2.468 1.00 0.00 O ATOM 729 CB LEU A 49 -9.204 -0.570 1.086 1.00 0.00 C ATOM 730 CG LEU A 49 -9.828 -1.397 -0.048 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.354 -1.480 0.116 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.500 -0.737 -1.392 1.00 0.00 C ATOM 0 H LEU A 49 -8.698 0.658 3.145 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.272 -1.639 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.714 0.392 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.162 -0.364 0.840 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.417 -2.406 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.776 -2.070 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.592 -1.953 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.778 -0.476 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.941 -1.320 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.907 0.274 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.419 -0.695 -1.522 1.00 0.00 H new ATOM 744 N SER A 50 -7.007 -2.162 2.854 1.00 0.00 N ATOM 745 CA SER A 50 -6.037 -3.235 3.019 1.00 0.00 C ATOM 746 C SER A 50 -6.481 -4.158 4.156 1.00 0.00 C ATOM 747 O SER A 50 -6.425 -5.376 4.016 1.00 0.00 O ATOM 748 CB SER A 50 -4.625 -2.668 3.215 1.00 0.00 C ATOM 749 OG SER A 50 -4.255 -2.378 4.544 1.00 0.00 O ATOM 0 H SER A 50 -6.625 -1.223 2.963 1.00 0.00 H new ATOM 0 HA SER A 50 -5.994 -3.838 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.909 -3.381 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.537 -1.755 2.627 1.00 0.00 H new ATOM 0 HG SER A 50 -4.972 -1.873 4.981 1.00 0.00 H new ATOM 755 N ASN A 51 -6.972 -3.581 5.259 1.00 0.00 N ATOM 756 CA ASN A 51 -7.485 -4.350 6.384 1.00 0.00 C ATOM 757 C ASN A 51 -8.716 -5.146 5.940 1.00 0.00 C ATOM 758 O ASN A 51 -8.888 -6.281 6.372 1.00 0.00 O ATOM 759 CB ASN A 51 -7.834 -3.415 7.550 1.00 0.00 C ATOM 760 CG ASN A 51 -7.948 -4.122 8.904 1.00 0.00 C ATOM 761 OD1 ASN A 51 -7.580 -3.546 9.922 1.00 0.00 O ATOM 762 ND2 ASN A 51 -8.445 -5.355 8.972 1.00 0.00 N ATOM 0 H ASN A 51 -7.022 -2.571 5.391 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.719 -5.047 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.072 -2.639 7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.778 -2.916 7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.521 -5.825 9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.750 -5.830 8.122 1.00 0.00 H new ATOM 769 N ASP A 52 -9.584 -4.549 5.115 1.00 0.00 N ATOM 770 CA ASP A 52 -10.781 -5.215 4.611 1.00 0.00 C ATOM 771 C ASP A 52 -10.418 -6.500 3.859 1.00 0.00 C ATOM 772 O ASP A 52 -11.009 -7.547 4.104 1.00 0.00 O ATOM 773 CB ASP A 52 -11.566 -4.276 3.684 1.00 0.00 C ATOM 774 CG ASP A 52 -12.847 -4.935 3.191 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.817 -4.950 3.979 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.833 -5.402 2.031 1.00 0.00 O ATOM 0 H ASP A 52 -9.473 -3.592 4.781 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.404 -5.477 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.808 -3.355 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.945 -3.999 2.832 1.00 0.00 H new ATOM 781 N TYR A 53 -9.440 -6.422 2.953 1.00 0.00 N ATOM 782 CA TYR A 53 -9.057 -7.567 2.134 1.00 0.00 C ATOM 783 C TYR A 53 -8.161 -8.548 2.905 1.00 0.00 C ATOM 784 O TYR A 53 -8.385 -9.754 2.832 1.00 0.00 O ATOM 785 CB TYR A 53 -8.347 -7.065 0.874 1.00 0.00 C ATOM 786 CG TYR A 53 -9.270 -6.599 -0.239 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.851 -5.320 -0.205 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.496 -7.429 -1.353 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.584 -4.850 -1.306 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.239 -6.963 -2.449 1.00 0.00 C ATOM 791 CZ TYR A 53 -10.789 -5.670 -2.422 1.00 0.00 C ATOM 792 OH TYR A 53 -11.460 -5.180 -3.501 1.00 0.00 O ATOM 0 H TYR A 53 -8.901 -5.576 2.771 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.959 -8.112 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.689 -6.241 1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.713 -7.864 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.733 -4.698 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.095 -8.432 -1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.992 -3.850 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.388 -7.597 -3.311 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.515 -4.204 -3.436 1.00 0.00 H new ATOM 802 N ALA A 54 -7.129 -8.031 3.582 1.00 0.00 N ATOM 803 CA ALA A 54 -6.140 -8.725 4.410 1.00 0.00 C ATOM 804 C ALA A 54 -6.025 -10.237 4.164 1.00 0.00 C ATOM 805 O ALA A 54 -6.433 -11.039 5.003 1.00 0.00 O ATOM 806 CB ALA A 54 -6.461 -8.438 5.881 1.00 0.00 C ATOM 0 H ALA A 54 -6.950 -7.027 3.561 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.162 -8.335 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.736 -8.946 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.413 -7.364 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.463 -8.800 6.112 1.00 0.00 H new ATOM 812 N GLY A 55 -5.417 -10.639 3.043 1.00 0.00 N ATOM 813 CA GLY A 55 -5.225 -12.051 2.746 1.00 0.00 C ATOM 814 C GLY A 55 -4.666 -12.255 1.340 1.00 0.00 C ATOM 815 O GLY A 55 -3.458 -12.139 1.126 1.00 0.00 O ATOM 0 H GLY A 55 -5.053 -10.004 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.544 -12.488 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.175 -12.577 2.841 1.00 0.00 H new ATOM 819 N LYS A 56 -5.542 -12.534 0.372 1.00 0.00 N ATOM 820 CA LYS A 56 -5.196 -12.802 -1.023 1.00 0.00 C ATOM 821 C LYS A 56 -4.855 -11.495 -1.759 1.00 0.00 C ATOM 822 O LYS A 56 -5.307 -11.267 -2.877 1.00 0.00 O ATOM 823 CB LYS A 56 -6.386 -13.575 -1.636 1.00 0.00 C ATOM 824 CG LYS A 56 -6.331 -13.972 -3.123 1.00 0.00 C ATOM 825 CD LYS A 56 -5.029 -14.665 -3.545 1.00 0.00 C ATOM 826 CE LYS A 56 -4.965 -14.837 -5.070 1.00 0.00 C ATOM 827 NZ LYS A 56 -6.109 -15.596 -5.606 1.00 0.00 N ATOM 0 H LYS A 56 -6.546 -12.581 0.545 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.297 -13.412 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.519 -14.488 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.281 -12.971 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.168 -14.635 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.466 -13.077 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.175 -14.079 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.959 -15.640 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.933 -13.855 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.039 -15.348 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.965 -15.770 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.187 -16.505 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.983 -15.049 -5.469 1.00 0.00 H new ATOM 841 N VAL A 57 -4.035 -10.628 -1.157 1.00 0.00 N ATOM 842 CA VAL A 57 -3.648 -9.346 -1.725 1.00 0.00 C ATOM 843 C VAL A 57 -2.327 -8.892 -1.112 1.00 0.00 C ATOM 844 O VAL A 57 -1.949 -9.374 -0.045 1.00 0.00 O ATOM 845 CB VAL A 57 -4.723 -8.274 -1.430 1.00 0.00 C ATOM 846 CG1 VAL A 57 -6.130 -8.596 -1.952 1.00 0.00 C ATOM 847 CG2 VAL A 57 -4.851 -8.009 0.078 1.00 0.00 C ATOM 0 H VAL A 57 -3.617 -10.807 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.544 -9.466 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.358 -7.400 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.809 -7.783 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.098 -8.712 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.484 -9.522 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.615 -7.251 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.133 -8.931 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.896 -7.657 0.468 1.00 0.00 H new ATOM 857 N ILE A 58 -1.646 -7.955 -1.775 1.00 0.00 N ATOM 858 CA ILE A 58 -0.492 -7.258 -1.225 1.00 0.00 C ATOM 859 C ILE A 58 -0.845 -5.774 -1.372 1.00 0.00 C ATOM 860 O ILE A 58 -1.137 -5.331 -2.482 1.00 0.00 O ATOM 861 CB ILE A 58 0.794 -7.655 -1.972 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.341 -9.025 -1.526 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.885 -6.589 -1.781 1.00 0.00 C ATOM 864 CD1 ILE A 58 1.747 -9.843 -2.757 1.00 0.00 C ATOM 0 H ILE A 58 -1.887 -7.659 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.289 -7.510 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 58 0.525 -7.728 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.200 -8.888 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.584 -9.561 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.785 -6.890 -2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.533 -5.634 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.112 -6.487 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.134 -10.811 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.878 -9.992 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.519 -9.308 -3.311 1.00 0.00 H new ATOM 876 N PHE A 59 -0.878 -5.030 -0.260 1.00 0.00 N ATOM 877 CA PHE A 59 -1.180 -3.603 -0.226 1.00 0.00 C ATOM 878 C PHE A 59 0.028 -2.883 0.350 1.00 0.00 C ATOM 879 O PHE A 59 0.145 -2.691 1.560 1.00 0.00 O ATOM 880 CB PHE A 59 -2.410 -3.307 0.634 1.00 0.00 C ATOM 881 CG PHE A 59 -3.766 -3.341 -0.048 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.292 -4.547 -0.543 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.592 -2.204 0.017 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.652 -4.628 -0.897 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.947 -2.287 -0.331 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.494 -3.517 -0.726 1.00 0.00 C ATOM 0 H PHE A 59 -0.690 -5.419 0.664 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.398 -3.261 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.428 -4.025 1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.281 -2.320 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.653 -5.411 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.178 -1.259 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.049 -5.547 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.569 -1.405 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.556 -3.609 -0.898 1.00 0.00 H new ATOM 896 N LEU A 60 0.911 -2.469 -0.546 1.00 0.00 N ATOM 897 CA LEU A 60 2.144 -1.793 -0.220 1.00 0.00 C ATOM 898 C LEU A 60 1.916 -0.296 -0.053 1.00 0.00 C ATOM 899 O LEU A 60 1.352 0.353 -0.931 1.00 0.00 O ATOM 900 CB LEU A 60 3.127 -2.057 -1.362 1.00 0.00 C ATOM 901 CG LEU A 60 4.075 -3.203 -1.016 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.451 -3.953 -2.287 1.00 0.00 C ATOM 903 CD2 LEU A 60 5.338 -2.616 -0.377 1.00 0.00 C ATOM 0 H LEU A 60 0.779 -2.601 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 60 2.539 -2.167 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.577 -2.298 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.702 -1.154 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 60 3.591 -3.892 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.128 -4.771 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.551 -4.355 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.944 -3.271 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.026 -3.422 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.819 -1.936 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.068 -2.071 0.528 1.00 0.00 H new ATOM 915 N LYS A 61 2.353 0.252 1.078 1.00 0.00 N ATOM 916 CA LYS A 61 2.360 1.695 1.282 1.00 0.00 C ATOM 917 C LYS A 61 3.772 2.167 0.961 1.00 0.00 C ATOM 918 O LYS A 61 4.730 1.574 1.460 1.00 0.00 O ATOM 919 CB LYS A 61 1.984 2.062 2.717 1.00 0.00 C ATOM 920 CG LYS A 61 0.492 1.860 3.000 1.00 0.00 C ATOM 921 CD LYS A 61 0.154 0.405 3.358 1.00 0.00 C ATOM 922 CE LYS A 61 -1.328 0.239 3.695 1.00 0.00 C ATOM 923 NZ LYS A 61 -1.656 -1.181 3.911 1.00 0.00 N ATOM 0 H LYS A 61 2.708 -0.285 1.869 1.00 0.00 H new ATOM 0 HA LYS A 61 1.622 2.175 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.568 1.455 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.249 3.103 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.189 2.512 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.085 2.159 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.413 -0.246 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.759 0.089 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.569 0.813 4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.938 0.639 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.679 -1.281 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.382 -1.732 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.139 -1.534 4.742 1.00 0.00 H new ATOM 937 N VAL A 62 3.909 3.182 0.103 1.00 0.00 N ATOM 938 CA VAL A 62 5.220 3.683 -0.289 1.00 0.00 C ATOM 939 C VAL A 62 5.256 5.215 -0.288 1.00 0.00 C ATOM 940 O VAL A 62 4.803 5.882 -1.220 1.00 0.00 O ATOM 941 CB VAL A 62 5.652 3.083 -1.643 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.015 3.648 -2.065 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.822 1.562 -1.529 1.00 0.00 C ATOM 0 H VAL A 62 3.125 3.670 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 62 5.948 3.357 0.454 1.00 0.00 H new ATOM 0 HB VAL A 62 4.880 3.334 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.307 3.216 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.945 4.731 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.762 3.398 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.127 1.157 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.584 1.336 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.876 1.112 -1.229 1.00 0.00 H new ATOM 953 N ASP A 63 5.834 5.764 0.781 1.00 0.00 N ATOM 954 CA ASP A 63 6.121 7.176 0.918 1.00 0.00 C ATOM 955 C ASP A 63 7.163 7.554 -0.137 1.00 0.00 C ATOM 956 O ASP A 63 8.349 7.252 0.020 1.00 0.00 O ATOM 957 CB ASP A 63 6.652 7.486 2.322 1.00 0.00 C ATOM 958 CG ASP A 63 7.127 8.934 2.431 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.538 9.798 1.743 1.00 0.00 O ATOM 960 OD2 ASP A 63 8.079 9.161 3.204 1.00 0.00 O ATOM 0 H ASP A 63 6.120 5.216 1.593 1.00 0.00 H new ATOM 0 HA ASP A 63 5.209 7.755 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.869 7.302 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.476 6.812 2.558 1.00 0.00 H new ATOM 965 N VAL A 64 6.723 8.219 -1.202 1.00 0.00 N ATOM 966 CA VAL A 64 7.560 8.685 -2.301 1.00 0.00 C ATOM 967 C VAL A 64 8.724 9.516 -1.757 1.00 0.00 C ATOM 968 O VAL A 64 9.834 9.444 -2.276 1.00 0.00 O ATOM 969 CB VAL A 64 6.687 9.498 -3.277 1.00 0.00 C ATOM 970 CG1 VAL A 64 7.514 10.236 -4.337 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.703 8.566 -3.994 1.00 0.00 C ATOM 0 H VAL A 64 5.739 8.456 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 64 7.988 7.838 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 64 6.160 10.242 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.847 10.792 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.199 10.928 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.084 9.514 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.088 9.146 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.257 7.810 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.063 8.078 -3.259 1.00 0.00 H new ATOM 981 N ASP A 65 8.478 10.292 -0.697 1.00 0.00 N ATOM 982 CA ASP A 65 9.497 11.139 -0.090 1.00 0.00 C ATOM 983 C ASP A 65 10.643 10.300 0.480 1.00 0.00 C ATOM 984 O ASP A 65 11.771 10.780 0.547 1.00 0.00 O ATOM 985 CB ASP A 65 8.858 12.028 0.973 1.00 0.00 C ATOM 986 CG ASP A 65 7.770 12.867 0.321 1.00 0.00 C ATOM 987 OD1 ASP A 65 8.140 13.662 -0.570 1.00 0.00 O ATOM 988 OD2 ASP A 65 6.592 12.678 0.693 1.00 0.00 O ATOM 0 H ASP A 65 7.568 10.347 -0.240 1.00 0.00 H new ATOM 0 HA ASP A 65 9.931 11.781 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.436 11.418 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.610 12.673 1.428 1.00 0.00 H new ATOM 993 N ALA A 66 10.361 9.058 0.887 1.00 0.00 N ATOM 994 CA ALA A 66 11.364 8.144 1.406 1.00 0.00 C ATOM 995 C ALA A 66 11.908 7.294 0.260 1.00 0.00 C ATOM 996 O ALA A 66 13.073 7.422 -0.115 1.00 0.00 O ATOM 997 CB ALA A 66 10.757 7.270 2.510 1.00 0.00 C ATOM 0 H ALA A 66 9.421 8.663 0.862 1.00 0.00 H new ATOM 0 HA ALA A 66 12.189 8.706 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.516 6.588 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.397 7.905 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.925 6.695 2.103 1.00 0.00 H new ATOM 1003 N VAL A 67 11.072 6.438 -0.337 1.00 0.00 N ATOM 1004 CA VAL A 67 11.520 5.514 -1.375 1.00 0.00 C ATOM 1005 C VAL A 67 11.490 6.206 -2.749 1.00 0.00 C ATOM 1006 O VAL A 67 10.890 5.717 -3.712 1.00 0.00 O ATOM 1007 CB VAL A 67 10.684 4.221 -1.327 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.455 3.102 -2.027 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.411 3.727 0.101 1.00 0.00 C ATOM 0 H VAL A 67 10.079 6.369 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 67 12.555 5.224 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 67 9.735 4.455 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.870 2.183 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.640 3.381 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.406 2.943 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.818 2.813 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.357 3.525 0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.864 4.492 0.652 1.00 0.00 H new ATOM 1019 N ALA A 68 12.197 7.334 -2.844 1.00 0.00 N ATOM 1020 CA ALA A 68 12.264 8.155 -4.045 1.00 0.00 C ATOM 1021 C ALA A 68 12.748 7.348 -5.250 1.00 0.00 C ATOM 1022 O ALA A 68 12.131 7.396 -6.312 1.00 0.00 O ATOM 1023 CB ALA A 68 13.185 9.350 -3.785 1.00 0.00 C ATOM 0 H ALA A 68 12.748 7.706 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 68 11.262 8.512 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.240 9.969 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.790 9.941 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.182 8.992 -3.530 1.00 0.00 H new ATOM 1029 N ALA A 69 13.839 6.594 -5.079 1.00 0.00 N ATOM 1030 CA ALA A 69 14.447 5.790 -6.135 1.00 0.00 C ATOM 1031 C ALA A 69 13.421 4.874 -6.810 1.00 0.00 C ATOM 1032 O ALA A 69 13.280 4.874 -8.032 1.00 0.00 O ATOM 1033 CB ALA A 69 15.593 4.966 -5.540 1.00 0.00 C ATOM 0 H ALA A 69 14.329 6.527 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 69 14.834 6.460 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.052 4.363 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.340 5.636 -5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.204 4.312 -4.759 1.00 0.00 H new ATOM 1039 N VAL A 70 12.702 4.083 -6.009 1.00 0.00 N ATOM 1040 CA VAL A 70 11.706 3.163 -6.538 1.00 0.00 C ATOM 1041 C VAL A 70 10.606 3.967 -7.217 1.00 0.00 C ATOM 1042 O VAL A 70 10.206 3.626 -8.322 1.00 0.00 O ATOM 1043 CB VAL A 70 11.135 2.277 -5.423 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.100 1.283 -5.959 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.257 1.469 -4.765 1.00 0.00 C ATOM 0 H VAL A 70 12.795 4.065 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 70 12.172 2.502 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 70 10.658 2.943 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.720 0.675 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.275 1.828 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.567 0.637 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.840 0.844 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.737 0.837 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.994 2.150 -4.338 1.00 0.00 H new ATOM 1055 N ALA A 71 10.115 5.022 -6.564 1.00 0.00 N ATOM 1056 CA ALA A 71 9.058 5.850 -7.136 1.00 0.00 C ATOM 1057 C ALA A 71 9.441 6.364 -8.533 1.00 0.00 C ATOM 1058 O ALA A 71 8.730 6.112 -9.507 1.00 0.00 O ATOM 1059 CB ALA A 71 8.742 7.008 -6.183 1.00 0.00 C ATOM 0 H ALA A 71 10.433 5.320 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 71 8.163 5.240 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.953 7.626 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.412 6.610 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.637 7.613 -6.036 1.00 0.00 H new ATOM 1065 N GLU A 72 10.566 7.075 -8.657 1.00 0.00 N ATOM 1066 CA GLU A 72 10.964 7.629 -9.946 1.00 0.00 C ATOM 1067 C GLU A 72 11.204 6.509 -10.967 1.00 0.00 C ATOM 1068 O GLU A 72 10.790 6.639 -12.116 1.00 0.00 O ATOM 1069 CB GLU A 72 12.171 8.570 -9.790 1.00 0.00 C ATOM 1070 CG GLU A 72 13.472 7.884 -9.362 1.00 0.00 C ATOM 1071 CD GLU A 72 14.543 8.903 -8.989 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.126 9.482 -9.931 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.753 9.089 -7.770 1.00 0.00 O ATOM 0 H GLU A 72 11.207 7.276 -7.889 1.00 0.00 H new ATOM 0 HA GLU A 72 10.148 8.237 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.341 9.080 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.923 9.337 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.278 7.231 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.835 7.252 -10.173 1.00 0.00 H new ATOM 1080 N ALA A 73 11.844 5.405 -10.562 1.00 0.00 N ATOM 1081 CA ALA A 73 12.095 4.289 -11.465 1.00 0.00 C ATOM 1082 C ALA A 73 10.784 3.655 -11.948 1.00 0.00 C ATOM 1083 O ALA A 73 10.653 3.308 -13.118 1.00 0.00 O ATOM 1084 CB ALA A 73 12.962 3.246 -10.754 1.00 0.00 C ATOM 0 H ALA A 73 12.195 5.266 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 73 12.621 4.664 -12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.151 2.410 -11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.910 3.699 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.443 2.886 -9.866 1.00 0.00 H new ATOM 1090 N ALA A 74 9.822 3.483 -11.037 1.00 0.00 N ATOM 1091 CA ALA A 74 8.534 2.864 -11.308 1.00 0.00 C ATOM 1092 C ALA A 74 7.703 3.717 -12.263 1.00 0.00 C ATOM 1093 O ALA A 74 7.090 3.185 -13.189 1.00 0.00 O ATOM 1094 CB ALA A 74 7.797 2.637 -9.984 1.00 0.00 C ATOM 0 H ALA A 74 9.926 3.780 -10.067 1.00 0.00 H new ATOM 0 HA ALA A 74 8.695 1.903 -11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.830 2.173 -10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.390 1.983 -9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.645 3.593 -9.483 1.00 0.00 H new ATOM 1100 N GLY A 75 7.658 5.028 -12.015 1.00 0.00 N ATOM 1101 CA GLY A 75 6.915 5.978 -12.835 1.00 0.00 C ATOM 1102 C GLY A 75 5.699 6.501 -12.075 1.00 0.00 C ATOM 1103 O GLY A 75 4.583 6.002 -12.239 1.00 0.00 O ATOM 0 H GLY A 75 8.143 5.461 -11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.562 6.809 -13.115 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.595 5.497 -13.759 1.00 0.00 H new ATOM 1107 N ILE A 76 5.937 7.502 -11.224 1.00 0.00 N ATOM 1108 CA ILE A 76 4.947 8.193 -10.406 1.00 0.00 C ATOM 1109 C ILE A 76 4.845 9.613 -10.960 1.00 0.00 C ATOM 1110 O ILE A 76 5.869 10.196 -11.314 1.00 0.00 O ATOM 1111 CB ILE A 76 5.407 8.184 -8.932 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.096 6.858 -8.215 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.720 9.289 -8.111 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.413 5.585 -8.996 1.00 0.00 C ATOM 0 H ILE A 76 6.878 7.869 -11.082 1.00 0.00 H new ATOM 0 HA ILE A 76 3.970 7.710 -10.439 1.00 0.00 H new ATOM 0 HB ILE A 76 6.485 8.340 -8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.654 6.835 -7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.037 6.848 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.071 9.248 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.961 10.263 -8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.640 9.140 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.154 4.714 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.835 5.572 -9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.477 5.559 -9.233 1.00 0.00 H new ATOM 1126 N THR A 77 3.630 10.162 -11.048 1.00 0.00 N ATOM 1127 CA THR A 77 3.402 11.510 -11.553 1.00 0.00 C ATOM 1128 C THR A 77 2.478 12.257 -10.587 1.00 0.00 C ATOM 1129 O THR A 77 2.934 12.799 -9.581 1.00 0.00 O ATOM 1130 CB THR A 77 2.844 11.429 -12.986 1.00 0.00 C ATOM 1131 OG1 THR A 77 1.668 10.641 -13.006 1.00 0.00 O ATOM 1132 CG2 THR A 77 3.866 10.803 -13.942 1.00 0.00 C ATOM 0 H THR A 77 2.777 9.678 -10.769 1.00 0.00 H new ATOM 0 HA THR A 77 4.333 12.074 -11.607 1.00 0.00 H new ATOM 0 HB THR A 77 2.623 12.445 -13.312 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.319 10.597 -13.921 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.445 10.758 -14.946 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.772 11.410 -13.955 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.109 9.795 -13.606 1.00 0.00 H new ATOM 1140 N ALA A 78 1.174 12.277 -10.871 1.00 0.00 N ATOM 1141 CA ALA A 78 0.181 12.961 -10.058 1.00 0.00 C ATOM 1142 C ALA A 78 -0.149 12.108 -8.833 1.00 0.00 C ATOM 1143 O ALA A 78 -1.228 11.522 -8.750 1.00 0.00 O ATOM 1144 CB ALA A 78 -1.055 13.261 -10.912 1.00 0.00 C ATOM 0 H ALA A 78 0.778 11.809 -11.686 1.00 0.00 H new ATOM 0 HA ALA A 78 0.570 13.913 -9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.801 13.774 -10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.772 13.896 -11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.473 12.327 -11.288 1.00 0.00 H new ATOM 1150 N MET A 79 0.804 12.034 -7.897 1.00 0.00 N ATOM 1151 CA MET A 79 0.667 11.293 -6.650 1.00 0.00 C ATOM 1152 C MET A 79 -0.607 11.747 -5.908 1.00 0.00 C ATOM 1153 O MET A 79 -0.905 12.942 -5.933 1.00 0.00 O ATOM 1154 CB MET A 79 1.927 11.464 -5.780 1.00 0.00 C ATOM 1155 CG MET A 79 2.156 12.860 -5.175 1.00 0.00 C ATOM 1156 SD MET A 79 2.524 14.226 -6.309 1.00 0.00 S ATOM 1157 CE MET A 79 4.215 13.804 -6.786 1.00 0.00 C ATOM 0 H MET A 79 1.707 12.498 -7.992 1.00 0.00 H new ATOM 0 HA MET A 79 0.567 10.230 -6.871 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.880 10.742 -4.965 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.797 11.207 -6.384 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.266 13.128 -4.606 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.978 12.785 -4.463 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.592 14.550 -7.486 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.849 13.785 -5.900 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.225 12.823 -7.261 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.359 10.870 -5.214 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.166 9.432 -5.048 1.00 0.00 C ATOM 1169 C PRO A 80 -1.124 8.664 -6.366 1.00 0.00 C ATOM 1170 O PRO A 80 -1.617 9.128 -7.389 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.357 8.958 -4.212 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.668 10.182 -3.360 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.448 11.314 -4.359 1.00 0.00 C ATOM 0 HA PRO A 80 -0.201 9.244 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.203 8.672 -4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.105 8.091 -3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.688 10.166 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.005 10.261 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.350 11.506 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.193 12.243 -3.850 1.00 0.00 H new ATOM 1181 N THR A 81 -0.471 7.506 -6.378 1.00 0.00 N ATOM 1182 CA THR A 81 -0.340 6.695 -7.573 1.00 0.00 C ATOM 1183 C THR A 81 -0.354 5.223 -7.157 1.00 0.00 C ATOM 1184 O THR A 81 0.593 4.721 -6.552 1.00 0.00 O ATOM 1185 CB THR A 81 0.921 7.133 -8.330 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.734 8.439 -8.849 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.226 6.198 -9.499 1.00 0.00 C ATOM 0 H THR A 81 -0.019 7.107 -5.555 1.00 0.00 H new ATOM 0 HA THR A 81 -1.170 6.830 -8.266 1.00 0.00 H new ATOM 0 HB THR A 81 1.753 7.107 -7.626 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.541 8.718 -9.331 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.125 6.539 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.383 5.186 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.388 6.201 -10.196 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.456 4.549 -7.482 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.729 3.164 -7.148 1.00 0.00 C ATOM 1197 C PHE A 82 -1.342 2.258 -8.312 1.00 0.00 C ATOM 1198 O PHE A 82 -2.167 1.995 -9.185 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.219 3.022 -6.822 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.640 3.794 -5.592 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.499 3.202 -4.326 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.102 5.121 -5.703 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.792 3.947 -3.175 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.388 5.863 -4.545 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.189 5.286 -3.280 1.00 0.00 C ATOM 0 H PHE A 82 -2.215 4.980 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.140 2.866 -6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.804 3.365 -7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.453 1.967 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.167 2.178 -4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.236 5.567 -6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.711 3.486 -2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.760 6.874 -4.627 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.342 5.875 -2.388 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.096 1.782 -8.343 1.00 0.00 N ATOM 1216 CA HIS A 83 0.301 0.812 -9.360 1.00 0.00 C ATOM 1217 C HIS A 83 -0.191 -0.559 -8.900 1.00 0.00 C ATOM 1218 O HIS A 83 -0.191 -0.833 -7.700 1.00 0.00 O ATOM 1219 CB HIS A 83 1.818 0.738 -9.523 1.00 0.00 C ATOM 1220 CG HIS A 83 2.515 1.862 -10.237 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.869 1.757 -10.560 1.00 0.00 N ATOM 1222 CD2 HIS A 83 2.048 3.072 -10.673 1.00 0.00 C ATOM 1223 CE1 HIS A 83 4.154 2.904 -11.186 1.00 0.00 C ATOM 1224 NE2 HIS A 83 3.102 3.729 -11.275 1.00 0.00 N ATOM 0 H HIS A 83 0.641 2.047 -7.689 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.127 1.114 -10.316 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.255 0.655 -8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.051 -0.186 -10.052 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.040 3.444 -10.566 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.132 3.141 -11.579 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.084 4.655 -11.701 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.581 -1.424 -9.838 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.988 -2.789 -9.540 1.00 0.00 C ATOM 1234 C VAL A 84 -0.001 -3.716 -10.245 1.00 0.00 C ATOM 1235 O VAL A 84 -0.071 -3.889 -11.462 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.435 -3.054 -9.984 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.882 -4.418 -9.444 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.395 -1.979 -9.457 1.00 0.00 C ATOM 0 H VAL A 84 -0.622 -1.191 -10.830 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.971 -2.967 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.462 -3.036 -11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.908 -4.614 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.229 -5.197 -9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.827 -4.414 -8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.408 -2.201 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.367 -1.969 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.093 -1.003 -9.837 1.00 0.00 H new ATOM 1248 N TYR A 85 0.918 -4.321 -9.487 1.00 0.00 N ATOM 1249 CA TYR A 85 1.922 -5.226 -10.026 1.00 0.00 C ATOM 1250 C TYR A 85 1.368 -6.646 -9.937 1.00 0.00 C ATOM 1251 O TYR A 85 2.009 -7.520 -9.359 1.00 0.00 O ATOM 1252 CB TYR A 85 3.262 -5.068 -9.284 1.00 0.00 C ATOM 1253 CG TYR A 85 4.010 -3.799 -9.629 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.690 -2.605 -8.965 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.038 -3.811 -10.592 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.372 -1.420 -9.284 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.698 -2.616 -10.930 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.333 -1.412 -10.305 1.00 0.00 C ATOM 1259 OH TYR A 85 5.839 -0.228 -10.746 1.00 0.00 O ATOM 0 H TYR A 85 0.982 -4.192 -8.477 1.00 0.00 H new ATOM 0 HA TYR A 85 2.131 -4.990 -11.069 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.076 -5.087 -8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.896 -5.925 -9.513 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.919 -2.598 -8.209 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.319 -4.737 -11.071 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.156 -0.512 -8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.485 -2.624 -11.670 1.00 0.00 H new ATOM 0 HH TYR A 85 5.230 0.500 -10.501 1.00 0.00 H new ATOM 1269 N LYS A 86 0.160 -6.874 -10.471 1.00 0.00 N ATOM 1270 CA LYS A 86 -0.488 -8.176 -10.364 1.00 0.00 C ATOM 1271 C LYS A 86 0.484 -9.271 -10.813 1.00 0.00 C ATOM 1272 O LYS A 86 1.150 -9.134 -11.840 1.00 0.00 O ATOM 1273 CB LYS A 86 -1.801 -8.224 -11.160 1.00 0.00 C ATOM 1274 CG LYS A 86 -2.587 -9.502 -10.820 1.00 0.00 C ATOM 1275 CD LYS A 86 -3.871 -9.626 -11.648 1.00 0.00 C ATOM 1276 CE LYS A 86 -4.467 -11.042 -11.590 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.794 -11.467 -10.217 1.00 0.00 N ATOM 0 H LYS A 86 -0.381 -6.173 -10.978 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.753 -8.349 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.405 -7.346 -10.931 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.587 -8.194 -12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.956 -10.373 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.839 -9.501 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.607 -8.909 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.659 -9.365 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.369 -11.077 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.759 -11.748 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.160 -12.440 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.937 -11.429 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.516 -10.832 -9.820 1.00 0.00 H new ATOM 1291 N ASP A 87 0.591 -10.327 -10.003 1.00 0.00 N ATOM 1292 CA ASP A 87 1.465 -11.482 -10.182 1.00 0.00 C ATOM 1293 C ASP A 87 2.896 -11.070 -9.848 1.00 0.00 C ATOM 1294 O ASP A 87 3.488 -11.588 -8.903 1.00 0.00 O ATOM 1295 CB ASP A 87 1.357 -12.097 -11.593 1.00 0.00 C ATOM 1296 CG ASP A 87 -0.077 -12.373 -12.036 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -0.922 -12.637 -11.152 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -0.315 -12.297 -13.260 1.00 0.00 O ATOM 0 H ASP A 87 0.033 -10.400 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 87 1.145 -12.270 -9.501 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.826 -11.423 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.921 -13.030 -11.617 1.00 0.00 H new ATOM 1303 N GLY A 88 3.425 -10.120 -10.616 1.00 0.00 N ATOM 1304 CA GLY A 88 4.751 -9.550 -10.440 1.00 0.00 C ATOM 1305 C GLY A 88 5.157 -8.693 -11.639 1.00 0.00 C ATOM 1306 O GLY A 88 6.313 -8.724 -12.053 1.00 0.00 O ATOM 0 H GLY A 88 2.921 -9.714 -11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.770 -8.943 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.477 -10.351 -10.302 1.00 0.00 H new ATOM 1310 N VAL A 89 4.221 -7.926 -12.210 1.00 0.00 N ATOM 1311 CA VAL A 89 4.475 -7.050 -13.348 1.00 0.00 C ATOM 1312 C VAL A 89 3.399 -5.967 -13.328 1.00 0.00 C ATOM 1313 O VAL A 89 2.267 -6.271 -12.956 1.00 0.00 O ATOM 1314 CB VAL A 89 4.475 -7.865 -14.658 1.00 0.00 C ATOM 1315 CG1 VAL A 89 3.160 -8.619 -14.902 1.00 0.00 C ATOM 1316 CG2 VAL A 89 4.790 -6.974 -15.866 1.00 0.00 C ATOM 0 H VAL A 89 3.254 -7.900 -11.886 1.00 0.00 H new ATOM 0 HA VAL A 89 5.457 -6.581 -13.286 1.00 0.00 H new ATOM 0 HB VAL A 89 5.261 -8.611 -14.540 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.226 -9.172 -15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.982 -9.315 -14.082 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.337 -7.906 -14.958 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.783 -7.577 -16.774 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.038 -6.189 -15.945 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.774 -6.522 -15.738 1.00 0.00 H new ATOM 1326 N LYS A 90 3.744 -4.716 -13.671 1.00 0.00 N ATOM 1327 CA LYS A 90 2.819 -3.584 -13.645 1.00 0.00 C ATOM 1328 C LYS A 90 1.648 -3.844 -14.598 1.00 0.00 C ATOM 1329 O LYS A 90 1.704 -3.513 -15.780 1.00 0.00 O ATOM 1330 CB LYS A 90 3.567 -2.281 -13.976 1.00 0.00 C ATOM 1331 CG LYS A 90 2.671 -1.055 -13.721 1.00 0.00 C ATOM 1332 CD LYS A 90 3.472 0.246 -13.569 1.00 0.00 C ATOM 1333 CE LYS A 90 4.196 0.659 -14.853 1.00 0.00 C ATOM 1334 NZ LYS A 90 4.880 1.957 -14.691 1.00 0.00 N ATOM 0 H LYS A 90 4.684 -4.465 -13.977 1.00 0.00 H new ATOM 0 HA LYS A 90 2.404 -3.470 -12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.469 -2.210 -13.368 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.885 -2.294 -15.019 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.966 -0.948 -14.545 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.083 -1.222 -12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.798 1.047 -13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.203 0.124 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.923 -0.106 -15.125 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.480 0.723 -15.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.260 2.266 -15.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.203 2.665 -14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.659 1.856 -14.010 1.00 0.00 H new ATOM 1348 N ALA A 91 0.586 -4.438 -14.061 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.620 -4.802 -14.778 1.00 0.00 C ATOM 1350 C ALA A 91 -1.552 -3.606 -14.907 1.00 0.00 C ATOM 1351 O ALA A 91 -2.299 -3.516 -15.878 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.314 -5.942 -14.028 1.00 0.00 C ATOM 0 H ALA A 91 0.546 -4.687 -13.073 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.359 -5.129 -15.784 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.224 -6.225 -14.558 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.645 -6.801 -13.971 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.568 -5.613 -13.021 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.536 -2.704 -13.920 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.407 -1.536 -13.930 1.00 0.00 C ATOM 1360 C ASP A 92 -1.763 -0.362 -13.197 1.00 0.00 C ATOM 1361 O ASP A 92 -0.736 -0.523 -12.534 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.751 -1.909 -13.287 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.939 -1.286 -14.003 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.834 -0.088 -14.342 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.933 -2.026 -14.187 1.00 0.00 O ATOM 0 H ASP A 92 -0.926 -2.765 -13.105 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.572 -1.223 -14.961 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.860 -2.994 -13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.752 -1.589 -12.245 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.394 0.808 -13.312 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.991 2.070 -12.711 1.00 0.00 C ATOM 1372 C ASP A 93 -3.257 2.878 -12.454 1.00 0.00 C ATOM 1373 O ASP A 93 -4.318 2.573 -12.992 1.00 0.00 O ATOM 1374 CB ASP A 93 -1.033 2.817 -13.651 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.699 4.251 -13.244 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -0.536 4.483 -12.027 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.623 5.100 -14.158 1.00 0.00 O ATOM 0 H ASP A 93 -3.249 0.900 -13.860 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.461 1.907 -11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.104 2.251 -13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.470 2.833 -14.649 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.122 3.915 -11.638 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.190 4.813 -11.241 1.00 0.00 C ATOM 1384 C LEU A 94 -3.590 5.975 -10.454 1.00 0.00 C ATOM 1385 O LEU A 94 -3.169 5.793 -9.314 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.209 4.044 -10.392 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.270 4.946 -9.750 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.052 5.669 -10.850 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.187 4.080 -8.886 1.00 0.00 C ATOM 0 H LEU A 94 -2.225 4.161 -11.219 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.702 5.209 -12.118 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.704 3.301 -11.017 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.682 3.501 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.806 5.702 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.807 6.311 -10.397 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.368 6.276 -11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.538 4.935 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.948 4.707 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.668 3.326 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.599 3.589 -8.111 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.555 7.163 -11.057 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.039 8.367 -10.423 1.00 0.00 C ATOM 1403 C VAL A 95 -4.149 9.075 -9.633 1.00 0.00 C ATOM 1404 O VAL A 95 -5.335 8.768 -9.788 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.407 9.285 -11.482 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.232 8.584 -12.177 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.412 9.776 -12.534 1.00 0.00 C ATOM 0 H VAL A 95 -3.888 7.314 -12.009 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.260 8.097 -9.710 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.048 10.163 -10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.800 9.251 -12.922 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.474 8.326 -11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.587 7.676 -12.665 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.903 10.419 -13.252 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.841 8.920 -13.055 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.207 10.338 -12.044 1.00 0.00 H new ATOM 1417 N GLY A 96 -3.759 10.050 -8.806 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.677 10.811 -7.977 1.00 0.00 C ATOM 1419 C GLY A 96 -5.272 9.947 -6.865 1.00 0.00 C ATOM 1420 O GLY A 96 -4.923 8.779 -6.708 1.00 0.00 O ATOM 0 H GLY A 96 -2.784 10.330 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.154 11.661 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.479 11.214 -8.595 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.169 10.540 -6.069 1.00 0.00 N ATOM 1425 CA ALA A 97 -6.847 9.843 -4.983 1.00 0.00 C ATOM 1426 C ALA A 97 -7.640 8.676 -5.570 1.00 0.00 C ATOM 1427 O ALA A 97 -7.344 7.510 -5.325 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.757 10.832 -4.241 1.00 0.00 C ATOM 0 H ALA A 97 -6.442 11.518 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.129 9.445 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.267 10.317 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.156 11.645 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.495 11.237 -4.933 1.00 0.00 H new ATOM 1434 N SER A 98 -8.652 9.028 -6.366 1.00 0.00 N ATOM 1435 CA SER A 98 -9.466 8.112 -7.147 1.00 0.00 C ATOM 1436 C SER A 98 -9.915 6.877 -6.350 1.00 0.00 C ATOM 1437 O SER A 98 -9.885 5.766 -6.869 1.00 0.00 O ATOM 1438 CB SER A 98 -8.629 7.727 -8.371 1.00 0.00 C ATOM 1439 OG SER A 98 -8.032 8.884 -8.947 1.00 0.00 O ATOM 0 H SER A 98 -8.933 10.001 -6.485 1.00 0.00 H new ATOM 0 HA SER A 98 -10.397 8.597 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.855 7.016 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.259 7.229 -9.108 1.00 0.00 H new ATOM 0 HG SER A 98 -7.097 8.693 -9.169 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.359 7.081 -5.104 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.744 6.025 -4.167 1.00 0.00 C ATOM 1447 C GLN A 99 -11.691 4.992 -4.795 1.00 0.00 C ATOM 1448 O GLN A 99 -11.535 3.787 -4.595 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.413 6.646 -2.929 1.00 0.00 C ATOM 1450 CG GLN A 99 -10.596 7.749 -2.237 1.00 0.00 C ATOM 1451 CD GLN A 99 -9.179 7.312 -1.880 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -8.214 7.831 -2.426 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.040 6.368 -0.954 1.00 0.00 N ATOM 0 H GLN A 99 -10.463 8.016 -4.710 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.831 5.501 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.377 7.059 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.613 5.855 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.547 8.620 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.113 8.060 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.865 5.956 -0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.108 6.056 -0.679 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.691 5.463 -5.539 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.666 4.614 -6.208 1.00 0.00 C ATOM 1464 C ASP A 100 -12.962 3.673 -7.192 1.00 0.00 C ATOM 1465 O ASP A 100 -13.146 2.456 -7.143 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.719 5.488 -6.909 1.00 0.00 C ATOM 1467 CG ASP A 100 -14.161 6.372 -8.027 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -13.034 6.888 -7.845 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.865 6.503 -9.050 1.00 0.00 O ATOM 0 H ASP A 100 -12.846 6.459 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.178 3.994 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.492 4.842 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.200 6.123 -6.165 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.135 4.234 -8.077 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.423 3.438 -9.058 1.00 0.00 C ATOM 1476 C LYS A 101 -10.388 2.560 -8.349 1.00 0.00 C ATOM 1477 O LYS A 101 -10.123 1.456 -8.812 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.820 4.340 -10.143 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.272 3.494 -11.304 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.046 4.347 -12.558 1.00 0.00 C ATOM 1481 CE LYS A 101 -9.199 3.598 -13.597 1.00 0.00 C ATOM 1482 NZ LYS A 101 -9.815 2.322 -14.002 1.00 0.00 N ATOM 0 H LYS A 101 -11.947 5.235 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.111 2.767 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.579 5.029 -10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.020 4.946 -9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.333 3.027 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.970 2.688 -11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.007 4.616 -12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.549 5.277 -12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.063 4.229 -14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.208 3.407 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.283 1.917 -14.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.798 1.659 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.800 2.489 -14.293 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.818 3.020 -7.227 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.896 2.232 -6.419 1.00 0.00 C ATOM 1498 C LEU A 102 -9.617 0.928 -6.061 1.00 0.00 C ATOM 1499 O LEU A 102 -9.172 -0.154 -6.441 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.481 3.023 -5.159 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.168 2.610 -4.486 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.101 3.360 -3.150 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -7.035 1.108 -4.235 1.00 0.00 C ATOM 0 H LEU A 102 -9.989 3.955 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.978 2.010 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.408 4.077 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.281 2.936 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.348 2.863 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.179 3.097 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.120 4.434 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.956 3.082 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.078 0.902 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.844 0.775 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.088 0.574 -5.184 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.764 1.042 -5.380 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.574 -0.099 -4.986 1.00 0.00 C ATOM 1517 C LYS A 103 -11.893 -0.974 -6.201 1.00 0.00 C ATOM 1518 O LYS A 103 -11.687 -2.187 -6.155 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.860 0.400 -4.316 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.573 1.031 -2.949 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.861 1.629 -2.369 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.622 2.273 -1.000 1.00 0.00 C ATOM 1523 NZ LYS A 103 -12.716 3.431 -1.089 1.00 0.00 N ATOM 0 H LYS A 103 -11.152 1.939 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.019 -0.710 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.347 1.132 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.555 -0.431 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.172 0.279 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.814 1.807 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.258 2.375 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.615 0.848 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.575 2.589 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.200 1.533 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.699 3.929 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.757 3.104 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.052 4.078 -1.831 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.379 -0.360 -7.286 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.706 -1.088 -8.506 1.00 0.00 C ATOM 1539 C ALA A 104 -11.508 -1.913 -8.987 1.00 0.00 C ATOM 1540 O ALA A 104 -11.661 -3.087 -9.320 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.160 -0.112 -9.594 1.00 0.00 C ATOM 0 H ALA A 104 -12.553 0.644 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.523 -1.777 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.402 -0.665 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.043 0.429 -9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.359 0.597 -9.804 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.314 -1.313 -9.027 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.116 -2.015 -9.455 1.00 0.00 C ATOM 1549 C LEU A 105 -8.787 -3.147 -8.487 1.00 0.00 C ATOM 1550 O LEU A 105 -8.500 -4.248 -8.951 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.923 -1.059 -9.596 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.982 -0.146 -10.835 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.657 0.616 -10.938 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.208 -0.916 -12.141 1.00 0.00 C ATOM 0 H LEU A 105 -10.159 -0.339 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.314 -2.442 -10.438 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.865 -0.436 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.005 -1.646 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.831 0.525 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.680 1.269 -11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.512 1.216 -10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.836 -0.094 -11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.240 -0.216 -12.976 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.393 -1.624 -12.292 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.153 -1.457 -12.086 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.815 -2.923 -7.167 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.517 -4.027 -6.256 1.00 0.00 C ATOM 1568 C VAL A 106 -9.498 -5.171 -6.525 1.00 0.00 C ATOM 1569 O VAL A 106 -9.079 -6.311 -6.691 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.541 -3.621 -4.770 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -7.948 -4.773 -3.944 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.710 -2.369 -4.479 1.00 0.00 C ATOM 0 H VAL A 106 -9.031 -2.030 -6.724 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.495 -4.349 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.578 -3.407 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.956 -4.505 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.544 -5.673 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.923 -4.959 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.766 -2.134 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.671 -2.549 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.100 -1.531 -5.057 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.795 -4.870 -6.595 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.822 -5.866 -6.880 1.00 0.00 C ATOM 1584 C ALA A 107 -11.490 -6.625 -8.170 1.00 0.00 C ATOM 1585 O ALA A 107 -11.423 -7.852 -8.159 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.191 -5.185 -6.962 1.00 0.00 C ATOM 0 H ALA A 107 -11.161 -3.928 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.853 -6.597 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.956 -5.931 -7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.413 -4.699 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.180 -4.440 -7.757 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.261 -5.897 -9.266 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.909 -6.462 -10.562 1.00 0.00 C ATOM 1594 C LYS A 108 -9.720 -7.411 -10.431 1.00 0.00 C ATOM 1595 O LYS A 108 -9.812 -8.607 -10.696 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.571 -5.303 -11.517 1.00 0.00 C ATOM 1597 CG LYS A 108 -10.193 -5.754 -12.936 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.702 -4.584 -13.802 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.771 -3.508 -14.020 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.291 -2.462 -14.941 1.00 0.00 N ATOM 0 H LYS A 108 -11.317 -4.879 -9.273 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.747 -7.037 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.428 -4.632 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.745 -4.729 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.414 -6.514 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.057 -6.218 -13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.830 -4.131 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.378 -4.967 -14.770 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.675 -3.965 -14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.040 -3.059 -13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.034 -1.746 -15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.442 -2.012 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.057 -2.889 -15.860 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.582 -6.858 -10.025 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.334 -7.595 -9.943 1.00 0.00 C ATOM 1616 C HIS A 109 -7.374 -8.691 -8.874 1.00 0.00 C ATOM 1617 O HIS A 109 -6.567 -9.610 -8.937 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.191 -6.595 -9.761 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.933 -5.820 -11.031 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.052 -6.303 -11.998 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.494 -4.656 -11.494 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.119 -5.420 -12.997 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.962 -4.408 -12.740 1.00 0.00 N ATOM 0 H HIS A 109 -8.503 -5.881 -9.743 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.165 -8.140 -10.872 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.434 -5.904 -8.954 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.285 -7.124 -9.465 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.220 -4.046 -10.976 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.555 -5.510 -13.914 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.168 -3.614 -13.346 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.298 -8.630 -7.909 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.483 -9.679 -6.913 1.00 0.00 C ATOM 1633 C ALA A 110 -9.553 -10.687 -7.354 1.00 0.00 C ATOM 1634 O ALA A 110 -9.950 -11.523 -6.547 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.876 -9.053 -5.569 1.00 0.00 C ATOM 0 H ALA A 110 -8.940 -7.845 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.540 -10.216 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.013 -9.840 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.088 -8.376 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.806 -8.497 -5.685 1.00 0.00 H new ATOM 1641 N ALA A 111 -10.038 -10.625 -8.603 1.00 0.00 N ATOM 1642 CA ALA A 111 -11.070 -11.537 -9.086 1.00 0.00 C ATOM 1643 C ALA A 111 -10.648 -13.000 -8.935 1.00 0.00 C ATOM 1644 O ALA A 111 -11.464 -13.845 -8.570 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.397 -11.224 -10.548 1.00 0.00 C ATOM 0 H ALA A 111 -9.725 -9.946 -9.297 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.962 -11.390 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.168 -11.908 -10.903 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.757 -10.198 -10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.499 -11.342 -11.155 1.00 0.00 H new