USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 911 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 56 THR OG1 : rot -167:sc= -0.387 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.395 K(o=-0.78,f=-3.9) USER MOD Set 2.1: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 SER OG : rot 87:sc= 1.25 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00829) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.0379 X(o=0.038,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.4!) USER MOD Single : A 46 THR OG1 : rot 32:sc= 1.11 USER MOD Single : A 65 CYS SG : rot -170:sc= -0.588 USER MOD Single : A 68 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -74:sc= 0.149 USER MOD Single : A 77 SER OG : rot 105:sc= 0.399 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 62:sc= 0.985 USER MOD Single : A 88 LYS NZ :NH3+ 153:sc= -0.817 (180deg=-2.89) USER MOD Single : A 97 ASN : amide:sc= -0.0504 K(o=-0.05,f=-0.81) USER MOD Single : A 98 MET CE :methyl -150:sc= 0 (180deg=-1.44) USER MOD Single : A 99 THR OG1 : rot -65:sc= -0.57 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -164:sc= 0 (180deg=-0.45) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 111 SER OG : rot -81:sc= 0.00123 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl -172:sc= 0 (180deg=-0.0574) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 9.225 6.604 -5.007 1.00 13.00 N ATOM 2 CA GLY A 2 8.894 6.538 -3.596 1.00 45.03 C ATOM 3 C GLY A 2 8.626 5.122 -3.128 1.00 52.54 C ATOM 4 O GLY A 2 9.522 4.450 -2.619 1.00 54.34 O ATOM 0 HA2 GLY A 2 9.713 6.961 -3.014 1.00 45.03 H new ATOM 0 HA3 GLY A 2 8.015 7.153 -3.403 1.00 45.03 H new ATOM 8 N ASN A 3 7.389 4.667 -3.300 1.00 51.11 N ATOM 9 CA ASN A 3 7.006 3.322 -2.890 1.00 73.14 C ATOM 10 C ASN A 3 5.680 2.915 -3.527 1.00 23.23 C ATOM 11 O ASN A 3 5.540 1.806 -4.042 1.00 1.33 O ATOM 12 CB ASN A 3 6.896 3.242 -1.365 1.00 10.54 C ATOM 13 CG ASN A 3 7.126 1.837 -0.842 1.00 63.52 C ATOM 14 OD1 ASN A 3 8.259 1.360 -0.787 1.00 12.13 O ATOM 15 ND2 ASN A 3 6.047 1.168 -0.453 1.00 34.13 N ATOM 0 H ASN A 3 6.635 5.210 -3.721 1.00 51.11 H new ATOM 0 HA ASN A 3 7.779 2.633 -3.229 1.00 73.14 H new ATOM 0 HB2 ASN A 3 7.623 3.918 -0.915 1.00 10.54 H new ATOM 0 HB3 ASN A 3 5.908 3.585 -1.056 1.00 10.54 H new ATOM 0 HD21 ASN A 3 6.138 0.219 -0.091 1.00 34.13 H new ATOM 0 HD22 ASN A 3 5.127 1.603 -0.516 1.00 34.13 H new ATOM 22 N GLY A 4 4.709 3.823 -3.489 1.00 72.41 N ATOM 23 CA GLY A 4 3.407 3.541 -4.066 1.00 52.02 C ATOM 24 C GLY A 4 3.276 4.063 -5.483 1.00 12.23 C ATOM 25 O GLY A 4 2.187 4.442 -5.912 1.00 24.35 O ATOM 0 H GLY A 4 4.801 4.748 -3.069 1.00 72.41 H new ATOM 0 HA2 GLY A 4 3.236 2.464 -4.061 1.00 52.02 H new ATOM 0 HA3 GLY A 4 2.632 3.989 -3.444 1.00 52.02 H new ATOM 29 N GLN A 5 4.389 4.085 -6.209 1.00 14.31 N ATOM 30 CA GLN A 5 4.393 4.568 -7.585 1.00 34.22 C ATOM 31 C GLN A 5 3.754 3.548 -8.523 1.00 52.55 C ATOM 32 O GLN A 5 3.871 2.341 -8.314 1.00 31.02 O ATOM 33 CB GLN A 5 5.824 4.868 -8.038 1.00 24.52 C ATOM 34 CG GLN A 5 6.764 3.681 -7.909 1.00 3.45 C ATOM 35 CD GLN A 5 7.873 3.701 -8.943 1.00 4.43 C ATOM 36 OE1 GLN A 5 9.004 4.092 -8.651 1.00 60.41 O ATOM 37 NE2 GLN A 5 7.554 3.279 -10.161 1.00 31.24 N ATOM 0 H GLN A 5 5.299 3.774 -5.868 1.00 14.31 H new ATOM 0 HA GLN A 5 3.807 5.486 -7.623 1.00 34.22 H new ATOM 0 HB2 GLN A 5 5.806 5.195 -9.078 1.00 24.52 H new ATOM 0 HB3 GLN A 5 6.216 5.697 -7.449 1.00 24.52 H new ATOM 0 HG2 GLN A 5 7.203 3.676 -6.911 1.00 3.45 H new ATOM 0 HG3 GLN A 5 6.194 2.758 -8.011 1.00 3.45 H new ATOM 0 HE21 GLN A 5 6.604 2.964 -10.359 1.00 31.24 H new ATOM 0 HE22 GLN A 5 8.259 3.270 -10.898 1.00 31.24 H new ATOM 46 N GLY A 6 3.078 4.041 -9.555 1.00 45.41 N ATOM 47 CA GLY A 6 2.430 3.160 -10.508 1.00 55.15 C ATOM 48 C GLY A 6 1.523 3.906 -11.465 1.00 13.23 C ATOM 49 O GLY A 6 1.738 5.086 -11.743 1.00 41.43 O ATOM 0 H GLY A 6 2.967 5.036 -9.748 1.00 45.41 H new ATOM 0 HA2 GLY A 6 3.190 2.623 -11.076 1.00 55.15 H new ATOM 0 HA3 GLY A 6 1.848 2.412 -9.969 1.00 55.15 H new ATOM 53 N ARG A 7 0.506 3.217 -11.973 1.00 43.43 N ATOM 54 CA ARG A 7 -0.436 3.822 -12.907 1.00 12.03 C ATOM 55 C ARG A 7 -1.296 4.871 -12.210 1.00 63.14 C ATOM 56 O ARG A 7 -1.411 6.005 -12.675 1.00 21.12 O ATOM 57 CB ARG A 7 -1.329 2.749 -13.532 1.00 52.42 C ATOM 58 CG ARG A 7 -1.659 3.006 -14.993 1.00 15.42 C ATOM 59 CD ARG A 7 -0.961 2.009 -15.905 1.00 31.32 C ATOM 60 NE ARG A 7 -1.362 2.172 -17.300 1.00 33.15 N ATOM 61 CZ ARG A 7 -0.731 1.595 -18.318 1.00 3.23 C ATOM 62 NH1 ARG A 7 0.323 0.822 -18.097 1.00 0.42 N ATOM 63 NH2 ARG A 7 -1.155 1.791 -19.561 1.00 40.14 N ATOM 0 H ARG A 7 0.314 2.240 -11.753 1.00 43.43 H new ATOM 0 HA ARG A 7 0.137 4.312 -13.694 1.00 12.03 H new ATOM 0 HB2 ARG A 7 -0.835 1.781 -13.445 1.00 52.42 H new ATOM 0 HB3 ARG A 7 -2.257 2.685 -12.964 1.00 52.42 H new ATOM 0 HG2 ARG A 7 -2.737 2.943 -15.140 1.00 15.42 H new ATOM 0 HG3 ARG A 7 -1.359 4.019 -15.262 1.00 15.42 H new ATOM 0 HD2 ARG A 7 0.118 2.134 -15.821 1.00 31.32 H new ATOM 0 HD3 ARG A 7 -1.191 0.995 -15.578 1.00 31.32 H new ATOM 0 HE ARG A 7 -2.170 2.760 -17.504 1.00 33.15 H new ATOM 0 HH11 ARG A 7 0.652 0.669 -17.144 1.00 0.42 H new ATOM 0 HH12 ARG A 7 0.805 0.381 -18.880 1.00 0.42 H new ATOM 0 HH21 ARG A 7 -1.966 2.385 -19.736 1.00 40.14 H new ATOM 0 HH22 ARG A 7 -0.670 1.348 -20.341 1.00 40.14 H new ATOM 77 N ASP A 8 -1.899 4.485 -11.090 1.00 34.54 N ATOM 78 CA ASP A 8 -2.749 5.392 -10.328 1.00 73.33 C ATOM 79 C ASP A 8 -1.954 6.597 -9.836 1.00 43.31 C ATOM 80 O ASP A 8 -2.505 7.682 -9.651 1.00 32.02 O ATOM 81 CB ASP A 8 -3.376 4.659 -9.141 1.00 64.32 C ATOM 82 CG ASP A 8 -3.889 3.282 -9.514 1.00 4.15 C ATOM 83 OD1 ASP A 8 -5.043 3.186 -9.984 1.00 15.40 O ATOM 84 OD2 ASP A 8 -3.136 2.302 -9.338 1.00 22.30 O ATOM 0 H ASP A 8 -1.815 3.550 -10.690 1.00 34.54 H new ATOM 0 HA ASP A 8 -3.542 5.747 -10.986 1.00 73.33 H new ATOM 0 HB2 ASP A 8 -2.637 4.565 -8.345 1.00 64.32 H new ATOM 0 HB3 ASP A 8 -4.198 5.254 -8.744 1.00 64.32 H new ATOM 89 N TRP A 9 -0.659 6.398 -9.625 1.00 43.42 N ATOM 90 CA TRP A 9 0.212 7.468 -9.153 1.00 24.01 C ATOM 91 C TRP A 9 0.408 8.528 -10.233 1.00 73.44 C ATOM 92 O TRP A 9 0.047 9.690 -10.049 1.00 71.25 O ATOM 93 CB TRP A 9 1.568 6.901 -8.726 1.00 23.34 C ATOM 94 CG TRP A 9 2.246 7.718 -7.669 1.00 45.52 C ATOM 95 CD1 TRP A 9 3.519 8.212 -7.706 1.00 2.33 C ATOM 96 CD2 TRP A 9 1.690 8.133 -6.418 1.00 43.45 C ATOM 97 NE1 TRP A 9 3.787 8.909 -6.553 1.00 32.33 N ATOM 98 CE2 TRP A 9 2.681 8.877 -5.746 1.00 34.43 C ATOM 99 CE3 TRP A 9 0.450 7.951 -5.799 1.00 44.32 C ATOM 100 CZ2 TRP A 9 2.468 9.434 -4.488 1.00 21.12 C ATOM 101 CZ3 TRP A 9 0.241 8.505 -4.550 1.00 62.03 C ATOM 102 CH2 TRP A 9 1.246 9.241 -3.906 1.00 32.50 C ATOM 0 H TRP A 9 -0.188 5.505 -9.773 1.00 43.42 H new ATOM 0 HA TRP A 9 -0.265 7.937 -8.292 1.00 24.01 H new ATOM 0 HB2 TRP A 9 1.429 5.885 -8.357 1.00 23.34 H new ATOM 0 HB3 TRP A 9 2.218 6.837 -9.599 1.00 23.34 H new ATOM 0 HD1 TRP A 9 4.213 8.075 -8.522 1.00 2.33 H new ATOM 0 HE1 TRP A 9 4.667 9.375 -6.333 1.00 32.33 H new ATOM 0 HE3 TRP A 9 -0.331 7.388 -6.288 1.00 44.32 H new ATOM 0 HZ2 TRP A 9 3.241 9.999 -3.989 1.00 21.12 H new ATOM 0 HZ3 TRP A 9 -0.713 8.369 -4.062 1.00 62.03 H new ATOM 0 HH2 TRP A 9 1.051 9.664 -2.931 1.00 32.50 H new ATOM 113 N LYS A 10 0.980 8.118 -11.359 1.00 52.41 N ATOM 114 CA LYS A 10 1.223 9.031 -12.470 1.00 1.14 C ATOM 115 C LYS A 10 -0.080 9.665 -12.948 1.00 71.15 C ATOM 116 O LYS A 10 -0.126 10.857 -13.252 1.00 54.04 O ATOM 117 CB LYS A 10 1.897 8.291 -13.628 1.00 73.12 C ATOM 118 CG LYS A 10 3.397 8.515 -13.702 1.00 21.22 C ATOM 119 CD LYS A 10 3.963 8.064 -15.038 1.00 2.33 C ATOM 120 CE LYS A 10 5.006 9.042 -15.560 1.00 62.24 C ATOM 121 NZ LYS A 10 6.382 8.661 -15.137 1.00 4.41 N ATOM 0 H LYS A 10 1.284 7.159 -11.527 1.00 52.41 H new ATOM 0 HA LYS A 10 1.885 9.823 -12.119 1.00 1.14 H new ATOM 0 HB2 LYS A 10 1.702 7.223 -13.528 1.00 73.12 H new ATOM 0 HB3 LYS A 10 1.444 8.612 -14.566 1.00 73.12 H new ATOM 0 HG2 LYS A 10 3.616 9.572 -13.551 1.00 21.22 H new ATOM 0 HG3 LYS A 10 3.887 7.970 -12.895 1.00 21.22 H new ATOM 0 HD2 LYS A 10 4.411 7.076 -14.930 1.00 2.33 H new ATOM 0 HD3 LYS A 10 3.155 7.970 -15.764 1.00 2.33 H new ATOM 0 HE2 LYS A 10 4.957 9.079 -16.648 1.00 62.24 H new ATOM 0 HE3 LYS A 10 4.778 10.044 -15.197 1.00 62.24 H new ATOM 0 HZ1 LYS A 10 7.064 9.351 -15.512 1.00 4.41 H new ATOM 0 HZ2 LYS A 10 6.436 8.650 -14.098 1.00 4.41 H new ATOM 0 HZ3 LYS A 10 6.609 7.715 -15.505 1.00 4.41 H new ATOM 135 N MET A 11 -1.136 8.861 -13.010 1.00 54.52 N ATOM 136 CA MET A 11 -2.440 9.344 -13.448 1.00 61.15 C ATOM 137 C MET A 11 -3.026 10.321 -12.434 1.00 62.22 C ATOM 138 O MET A 11 -3.788 11.219 -12.791 1.00 32.04 O ATOM 139 CB MET A 11 -3.399 8.171 -13.657 1.00 73.34 C ATOM 140 CG MET A 11 -3.016 7.273 -14.822 1.00 71.53 C ATOM 141 SD MET A 11 -4.005 5.766 -14.892 1.00 61.10 S ATOM 142 CE MET A 11 -4.770 5.938 -16.503 1.00 53.23 C ATOM 0 H MET A 11 -1.114 7.872 -12.762 1.00 54.52 H new ATOM 0 HA MET A 11 -2.307 9.867 -14.395 1.00 61.15 H new ATOM 0 HB2 MET A 11 -3.434 7.574 -12.745 1.00 73.34 H new ATOM 0 HB3 MET A 11 -4.404 8.559 -13.823 1.00 73.34 H new ATOM 0 HG2 MET A 11 -3.134 7.824 -15.755 1.00 71.53 H new ATOM 0 HG3 MET A 11 -1.962 7.008 -14.740 1.00 71.53 H new ATOM 0 HE1 MET A 11 -5.415 5.080 -16.693 1.00 53.23 H new ATOM 0 HE2 MET A 11 -5.365 6.851 -16.528 1.00 53.23 H new ATOM 0 HE3 MET A 11 -3.997 5.988 -17.270 1.00 53.23 H new ATOM 152 N ALA A 12 -2.666 10.139 -11.167 1.00 40.42 N ATOM 153 CA ALA A 12 -3.155 11.006 -10.102 1.00 52.11 C ATOM 154 C ALA A 12 -2.587 12.414 -10.236 1.00 51.31 C ATOM 155 O ALA A 12 -3.318 13.400 -10.144 1.00 21.20 O ATOM 156 CB ALA A 12 -2.805 10.420 -8.742 1.00 34.33 C ATOM 0 H ALA A 12 -2.038 9.399 -10.854 1.00 40.42 H new ATOM 0 HA ALA A 12 -4.240 11.071 -10.189 1.00 52.11 H new ATOM 0 HB1 ALA A 12 -3.176 11.078 -7.956 1.00 34.33 H new ATOM 0 HB2 ALA A 12 -3.265 9.437 -8.640 1.00 34.33 H new ATOM 0 HB3 ALA A 12 -1.723 10.325 -8.654 1.00 34.33 H new ATOM 162 N ILE A 13 -1.278 12.501 -10.452 1.00 45.24 N ATOM 163 CA ILE A 13 -0.612 13.789 -10.598 1.00 62.10 C ATOM 164 C ILE A 13 -0.842 14.372 -11.988 1.00 45.21 C ATOM 165 O ILE A 13 -1.183 15.547 -12.132 1.00 35.24 O ATOM 166 CB ILE A 13 0.902 13.672 -10.347 1.00 52.35 C ATOM 167 CG1 ILE A 13 1.168 13.119 -8.944 1.00 25.44 C ATOM 168 CG2 ILE A 13 1.575 15.025 -10.524 1.00 14.44 C ATOM 169 CD1 ILE A 13 2.638 12.964 -8.624 1.00 12.30 C ATOM 0 H ILE A 13 -0.658 11.695 -10.530 1.00 45.24 H new ATOM 0 HA ILE A 13 -1.045 14.454 -9.851 1.00 62.10 H new ATOM 0 HB ILE A 13 1.323 12.980 -11.076 1.00 52.35 H new ATOM 0 HG12 ILE A 13 0.712 13.782 -8.209 1.00 25.44 H new ATOM 0 HG13 ILE A 13 0.679 12.150 -8.846 1.00 25.44 H new ATOM 0 HG21 ILE A 13 2.645 14.925 -10.343 1.00 14.44 H new ATOM 0 HG22 ILE A 13 1.411 15.383 -11.540 1.00 14.44 H new ATOM 0 HG23 ILE A 13 1.152 15.737 -9.816 1.00 14.44 H new ATOM 0 HD11 ILE A 13 2.751 12.568 -7.615 1.00 12.30 H new ATOM 0 HD12 ILE A 13 3.095 12.277 -9.337 1.00 12.30 H new ATOM 0 HD13 ILE A 13 3.129 13.935 -8.690 1.00 12.30 H new ATOM 181 N LYS A 14 -0.654 13.544 -13.010 1.00 41.15 N ATOM 182 CA LYS A 14 -0.843 13.974 -14.390 1.00 64.21 C ATOM 183 C LYS A 14 -2.222 14.599 -14.580 1.00 25.14 C ATOM 184 O LYS A 14 -2.365 15.608 -15.271 1.00 60.31 O ATOM 185 CB LYS A 14 -0.674 12.789 -15.343 1.00 40.44 C ATOM 186 CG LYS A 14 -1.063 13.102 -16.777 1.00 1.34 C ATOM 187 CD LYS A 14 -0.485 12.084 -17.746 1.00 70.52 C ATOM 188 CE LYS A 14 -1.581 11.265 -18.412 1.00 11.33 C ATOM 189 NZ LYS A 14 -2.092 10.190 -17.518 1.00 65.43 N ATOM 0 H LYS A 14 -0.370 12.570 -12.908 1.00 41.15 H new ATOM 0 HA LYS A 14 -0.087 14.726 -14.617 1.00 64.21 H new ATOM 0 HB2 LYS A 14 0.365 12.461 -15.321 1.00 40.44 H new ATOM 0 HB3 LYS A 14 -1.279 11.956 -14.985 1.00 40.44 H new ATOM 0 HG2 LYS A 14 -2.149 13.114 -16.866 1.00 1.34 H new ATOM 0 HG3 LYS A 14 -0.710 14.099 -17.041 1.00 1.34 H new ATOM 0 HD2 LYS A 14 0.101 12.597 -18.508 1.00 70.52 H new ATOM 0 HD3 LYS A 14 0.196 11.419 -17.214 1.00 70.52 H new ATOM 0 HE2 LYS A 14 -2.403 11.922 -18.696 1.00 11.33 H new ATOM 0 HE3 LYS A 14 -1.196 10.821 -19.330 1.00 11.33 H new ATOM 0 HZ1 LYS A 14 -2.837 9.655 -18.009 1.00 65.43 H new ATOM 0 HZ2 LYS A 14 -1.313 9.548 -17.267 1.00 65.43 H new ATOM 0 HZ3 LYS A 14 -2.483 10.615 -16.653 1.00 65.43 H new ATOM 203 N ARG A 15 -3.231 13.995 -13.962 1.00 24.11 N ATOM 204 CA ARG A 15 -4.598 14.494 -14.064 1.00 3.32 C ATOM 205 C ARG A 15 -4.789 15.737 -13.199 1.00 61.22 C ATOM 206 O ARG A 15 -5.408 16.712 -13.624 1.00 21.34 O ATOM 207 CB ARG A 15 -5.591 13.409 -13.645 1.00 45.12 C ATOM 208 CG ARG A 15 -5.733 12.287 -14.659 1.00 2.53 C ATOM 209 CD ARG A 15 -7.019 12.418 -15.459 1.00 55.04 C ATOM 210 NE ARG A 15 -6.940 11.722 -16.741 1.00 12.01 N ATOM 211 CZ ARG A 15 -6.297 12.203 -17.799 1.00 75.43 C ATOM 212 NH1 ARG A 15 -5.680 13.374 -17.727 1.00 35.35 N ATOM 213 NH2 ARG A 15 -6.270 11.510 -18.931 1.00 5.45 N ATOM 0 H ARG A 15 -3.129 13.160 -13.386 1.00 24.11 H new ATOM 0 HA ARG A 15 -4.784 14.765 -15.103 1.00 3.32 H new ATOM 0 HB2 ARG A 15 -5.274 12.987 -12.691 1.00 45.12 H new ATOM 0 HB3 ARG A 15 -6.567 13.866 -13.482 1.00 45.12 H new ATOM 0 HG2 ARG A 15 -4.879 12.297 -15.337 1.00 2.53 H new ATOM 0 HG3 ARG A 15 -5.720 11.326 -14.144 1.00 2.53 H new ATOM 0 HD2 ARG A 15 -7.849 12.016 -14.879 1.00 55.04 H new ATOM 0 HD3 ARG A 15 -7.232 13.473 -15.632 1.00 55.04 H new ATOM 0 HE ARG A 15 -7.404 10.818 -16.828 1.00 12.01 H new ATOM 0 HH11 ARG A 15 -5.698 13.908 -16.858 1.00 35.35 H new ATOM 0 HH12 ARG A 15 -5.187 13.741 -18.541 1.00 35.35 H new ATOM 0 HH21 ARG A 15 -6.743 10.608 -18.988 1.00 5.45 H new ATOM 0 HH22 ARG A 15 -5.776 11.879 -19.743 1.00 5.45 H new ATOM 227 N CYS A 16 -4.254 15.693 -11.983 1.00 21.24 N ATOM 228 CA CYS A 16 -4.367 16.815 -11.058 1.00 73.13 C ATOM 229 C CYS A 16 -3.802 18.089 -11.676 1.00 11.50 C ATOM 230 O CYS A 16 -4.180 19.197 -11.294 1.00 52.40 O ATOM 231 CB CYS A 16 -3.636 16.500 -9.751 1.00 21.44 C ATOM 232 SG CYS A 16 -4.018 17.638 -8.400 1.00 2.25 S ATOM 0 H CYS A 16 -3.738 14.893 -11.616 1.00 21.24 H new ATOM 0 HA CYS A 16 -5.424 16.974 -10.846 1.00 73.13 H new ATOM 0 HB2 CYS A 16 -3.889 15.486 -9.441 1.00 21.44 H new ATOM 0 HB3 CYS A 16 -2.562 16.518 -9.934 1.00 21.44 H new ATOM 0 HG CYS A 16 -3.354 17.289 -7.338 1.00 2.25 H new ATOM 238 N SER A 17 -2.893 17.924 -12.633 1.00 25.35 N ATOM 239 CA SER A 17 -2.272 19.062 -13.301 1.00 61.22 C ATOM 240 C SER A 17 -3.328 19.973 -13.918 1.00 61.12 C ATOM 241 O SER A 17 -3.100 21.167 -14.108 1.00 51.41 O ATOM 242 CB SER A 17 -1.304 18.578 -14.383 1.00 24.04 C ATOM 243 OG SER A 17 -0.103 19.330 -14.366 1.00 43.32 O ATOM 0 H SER A 17 -2.571 17.014 -12.962 1.00 25.35 H new ATOM 0 HA SER A 17 -1.718 19.632 -12.555 1.00 61.22 H new ATOM 0 HB2 SER A 17 -1.078 17.523 -14.228 1.00 24.04 H new ATOM 0 HB3 SER A 17 -1.776 18.663 -15.362 1.00 24.04 H new ATOM 0 HG SER A 17 0.499 19.000 -15.065 1.00 43.32 H new ATOM 249 N ASN A 18 -4.488 19.401 -14.227 1.00 15.24 N ATOM 250 CA ASN A 18 -5.580 20.161 -14.824 1.00 61.45 C ATOM 251 C ASN A 18 -6.283 21.017 -13.774 1.00 1.12 C ATOM 252 O ASN A 18 -6.874 22.048 -14.094 1.00 45.41 O ATOM 253 CB ASN A 18 -6.586 19.215 -15.483 1.00 64.00 C ATOM 254 CG ASN A 18 -6.028 18.556 -16.730 1.00 52.15 C ATOM 255 OD1 ASN A 18 -5.670 19.231 -17.695 1.00 72.40 O ATOM 256 ND2 ASN A 18 -5.952 17.230 -16.714 1.00 3.22 N ATOM 0 H ASN A 18 -4.695 18.414 -14.074 1.00 15.24 H new ATOM 0 HA ASN A 18 -5.159 20.820 -15.583 1.00 61.45 H new ATOM 0 HB2 ASN A 18 -6.879 18.446 -14.769 1.00 64.00 H new ATOM 0 HB3 ASN A 18 -7.488 19.770 -15.741 1.00 64.00 H new ATOM 0 HD21 ASN A 18 -5.585 16.730 -17.524 1.00 3.22 H new ATOM 0 HD22 ASN A 18 -6.261 16.711 -15.892 1.00 3.22 H new ATOM 263 N VAL A 19 -6.213 20.583 -12.520 1.00 74.22 N ATOM 264 CA VAL A 19 -6.840 21.310 -11.423 1.00 72.52 C ATOM 265 C VAL A 19 -6.038 22.553 -11.059 1.00 25.13 C ATOM 266 O VAL A 19 -4.830 22.483 -10.835 1.00 22.41 O ATOM 267 CB VAL A 19 -6.986 20.422 -10.172 1.00 22.40 C ATOM 268 CG1 VAL A 19 -7.614 21.207 -9.030 1.00 32.44 C ATOM 269 CG2 VAL A 19 -7.807 19.182 -10.492 1.00 25.41 C ATOM 0 H VAL A 19 -5.728 19.731 -12.238 1.00 74.22 H new ATOM 0 HA VAL A 19 -7.831 21.608 -11.766 1.00 72.52 H new ATOM 0 HB VAL A 19 -5.993 20.101 -9.858 1.00 22.40 H new ATOM 0 HG11 VAL A 19 -7.709 20.564 -8.155 1.00 32.44 H new ATOM 0 HG12 VAL A 19 -6.983 22.061 -8.785 1.00 32.44 H new ATOM 0 HG13 VAL A 19 -8.601 21.559 -9.330 1.00 32.44 H new ATOM 0 HG21 VAL A 19 -7.900 18.566 -9.597 1.00 25.41 H new ATOM 0 HG22 VAL A 19 -8.799 19.480 -10.832 1.00 25.41 H new ATOM 0 HG23 VAL A 19 -7.311 18.610 -11.276 1.00 25.41 H new ATOM 279 N ALA A 20 -6.720 23.694 -11.001 1.00 55.42 N ATOM 280 CA ALA A 20 -6.071 24.954 -10.661 1.00 45.21 C ATOM 281 C ALA A 20 -5.732 25.015 -9.176 1.00 54.35 C ATOM 282 O ALA A 20 -6.032 24.088 -8.421 1.00 20.34 O ATOM 283 CB ALA A 20 -6.960 26.127 -11.049 1.00 34.24 C ATOM 0 H ALA A 20 -7.720 23.770 -11.185 1.00 55.42 H new ATOM 0 HA ALA A 20 -5.139 25.016 -11.222 1.00 45.21 H new ATOM 0 HB1 ALA A 20 -6.463 27.062 -10.789 1.00 34.24 H new ATOM 0 HB2 ALA A 20 -7.148 26.102 -12.122 1.00 34.24 H new ATOM 0 HB3 ALA A 20 -7.907 26.059 -10.513 1.00 34.24 H new ATOM 289 N VAL A 21 -5.104 26.110 -8.760 1.00 52.41 N ATOM 290 CA VAL A 21 -4.725 26.291 -7.364 1.00 0.53 C ATOM 291 C VAL A 21 -5.268 27.605 -6.812 1.00 75.52 C ATOM 292 O VAL A 21 -4.665 28.217 -5.933 1.00 10.00 O ATOM 293 CB VAL A 21 -3.194 26.269 -7.192 1.00 52.33 C ATOM 294 CG1 VAL A 21 -2.661 24.852 -7.335 1.00 53.02 C ATOM 295 CG2 VAL A 21 -2.531 27.201 -8.195 1.00 24.50 C ATOM 0 H VAL A 21 -4.847 26.886 -9.370 1.00 52.41 H new ATOM 0 HA VAL A 21 -5.159 25.460 -6.808 1.00 0.53 H new ATOM 0 HB VAL A 21 -2.954 26.622 -6.189 1.00 52.33 H new ATOM 0 HG11 VAL A 21 -1.578 24.856 -7.211 1.00 53.02 H new ATOM 0 HG12 VAL A 21 -3.111 24.215 -6.573 1.00 53.02 H new ATOM 0 HG13 VAL A 21 -2.911 24.467 -8.324 1.00 53.02 H new ATOM 0 HG21 VAL A 21 -1.450 27.173 -8.059 1.00 24.50 H new ATOM 0 HG22 VAL A 21 -2.778 26.881 -9.207 1.00 24.50 H new ATOM 0 HG23 VAL A 21 -2.890 28.218 -8.039 1.00 24.50 H new ATOM 305 N GLY A 22 -6.414 28.030 -7.336 1.00 1.33 N ATOM 306 CA GLY A 22 -7.021 29.269 -6.884 1.00 50.05 C ATOM 307 C GLY A 22 -8.131 29.739 -7.801 1.00 3.11 C ATOM 308 O GLY A 22 -8.444 29.084 -8.796 1.00 43.00 O ATOM 0 H GLY A 22 -6.932 27.539 -8.065 1.00 1.33 H new ATOM 0 HA2 GLY A 22 -7.419 29.129 -5.879 1.00 50.05 H new ATOM 0 HA3 GLY A 22 -6.256 30.042 -6.819 1.00 50.05 H new ATOM 312 N VAL A 23 -8.731 30.877 -7.467 1.00 24.32 N ATOM 313 CA VAL A 23 -9.814 31.435 -8.268 1.00 3.11 C ATOM 314 C VAL A 23 -9.436 32.801 -8.829 1.00 14.41 C ATOM 315 O VAL A 23 -9.430 33.006 -10.042 1.00 61.50 O ATOM 316 CB VAL A 23 -11.108 31.571 -7.445 1.00 61.32 C ATOM 317 CG1 VAL A 23 -12.224 32.158 -8.296 1.00 71.21 C ATOM 318 CG2 VAL A 23 -11.518 30.224 -6.870 1.00 71.21 C ATOM 0 H VAL A 23 -8.485 31.431 -6.647 1.00 24.32 H new ATOM 0 HA VAL A 23 -9.987 30.743 -9.092 1.00 3.11 H new ATOM 0 HB VAL A 23 -10.919 32.252 -6.615 1.00 61.32 H new ATOM 0 HG11 VAL A 23 -13.130 32.246 -7.697 1.00 71.21 H new ATOM 0 HG12 VAL A 23 -11.928 33.144 -8.654 1.00 71.21 H new ATOM 0 HG13 VAL A 23 -12.414 31.505 -9.148 1.00 71.21 H new ATOM 0 HG21 VAL A 23 -12.434 30.339 -6.291 1.00 71.21 H new ATOM 0 HG22 VAL A 23 -11.688 29.518 -7.683 1.00 71.21 H new ATOM 0 HG23 VAL A 23 -10.725 29.848 -6.223 1.00 71.21 H new ATOM 328 N GLY A 24 -9.119 33.734 -7.937 1.00 52.31 N ATOM 329 CA GLY A 24 -8.742 35.070 -8.362 1.00 42.30 C ATOM 330 C GLY A 24 -7.253 35.320 -8.237 1.00 53.43 C ATOM 331 O GLY A 24 -6.541 34.558 -7.584 1.00 41.44 O ATOM 0 H GLY A 24 -9.116 33.589 -6.927 1.00 52.31 H new ATOM 0 HA2 GLY A 24 -9.046 35.217 -9.398 1.00 42.30 H new ATOM 0 HA3 GLY A 24 -9.282 35.804 -7.764 1.00 42.30 H new ATOM 335 N GLY A 25 -6.779 36.390 -8.867 1.00 3.15 N ATOM 336 CA GLY A 25 -5.366 36.719 -8.812 1.00 34.23 C ATOM 337 C GLY A 25 -4.576 36.068 -9.930 1.00 13.20 C ATOM 338 O GLY A 25 -4.716 36.436 -11.096 1.00 10.35 O ATOM 0 H GLY A 25 -7.348 37.035 -9.415 1.00 3.15 H new ATOM 0 HA2 GLY A 25 -5.245 37.801 -8.868 1.00 34.23 H new ATOM 0 HA3 GLY A 25 -4.959 36.402 -7.852 1.00 34.23 H new ATOM 342 N LYS A 26 -3.741 35.097 -9.575 1.00 43.20 N ATOM 343 CA LYS A 26 -2.924 34.392 -10.556 1.00 64.22 C ATOM 344 C LYS A 26 -3.619 33.118 -11.027 1.00 11.11 C ATOM 345 O LYS A 26 -4.658 32.732 -10.492 1.00 51.20 O ATOM 346 CB LYS A 26 -1.557 34.050 -9.960 1.00 72.25 C ATOM 347 CG LYS A 26 -0.768 35.267 -9.510 1.00 14.44 C ATOM 348 CD LYS A 26 0.080 35.829 -10.639 1.00 14.14 C ATOM 349 CE LYS A 26 1.551 35.488 -10.456 1.00 61.34 C ATOM 350 NZ LYS A 26 1.792 34.019 -10.515 1.00 40.02 N ATOM 0 H LYS A 26 -3.612 34.780 -8.614 1.00 43.20 H new ATOM 0 HA LYS A 26 -2.785 35.048 -11.415 1.00 64.22 H new ATOM 0 HB2 LYS A 26 -1.698 33.384 -9.109 1.00 72.25 H new ATOM 0 HB3 LYS A 26 -0.974 33.503 -10.701 1.00 72.25 H new ATOM 0 HG2 LYS A 26 -1.454 36.035 -9.152 1.00 14.44 H new ATOM 0 HG3 LYS A 26 -0.126 34.996 -8.671 1.00 14.44 H new ATOM 0 HD2 LYS A 26 -0.271 35.431 -11.591 1.00 14.14 H new ATOM 0 HD3 LYS A 26 -0.041 36.911 -10.682 1.00 14.14 H new ATOM 0 HE2 LYS A 26 2.138 35.984 -11.230 1.00 61.34 H new ATOM 0 HE3 LYS A 26 1.897 35.874 -9.497 1.00 61.34 H new ATOM 0 HZ1 LYS A 26 2.812 33.831 -10.437 1.00 40.02 H new ATOM 0 HZ2 LYS A 26 1.293 33.554 -9.730 1.00 40.02 H new ATOM 0 HZ3 LYS A 26 1.439 33.645 -11.419 1.00 40.02 H new ATOM 364 N SER A 27 -3.036 32.470 -12.031 1.00 70.43 N ATOM 365 CA SER A 27 -3.602 31.240 -12.576 1.00 40.42 C ATOM 366 C SER A 27 -2.547 30.139 -12.638 1.00 45.42 C ATOM 367 O SER A 27 -1.648 30.170 -13.478 1.00 10.21 O ATOM 368 CB SER A 27 -4.174 31.492 -13.972 1.00 43.23 C ATOM 369 OG SER A 27 -5.070 32.590 -13.965 1.00 42.41 O ATOM 0 H SER A 27 -2.174 32.775 -12.483 1.00 70.43 H new ATOM 0 HA SER A 27 -4.405 30.914 -11.915 1.00 40.42 H new ATOM 0 HB2 SER A 27 -3.361 31.686 -14.672 1.00 43.23 H new ATOM 0 HB3 SER A 27 -4.691 30.599 -14.323 1.00 43.23 H new ATOM 0 HG SER A 27 -5.421 32.732 -14.869 1.00 42.41 H new ATOM 375 N LYS A 28 -2.664 29.167 -11.740 1.00 74.44 N ATOM 376 CA LYS A 28 -1.723 28.053 -11.691 1.00 62.50 C ATOM 377 C LYS A 28 -2.445 26.745 -11.378 1.00 11.40 C ATOM 378 O LYS A 28 -3.619 26.745 -11.009 1.00 32.52 O ATOM 379 CB LYS A 28 -0.643 28.317 -10.639 1.00 62.51 C ATOM 380 CG LYS A 28 0.519 29.147 -11.156 1.00 23.33 C ATOM 381 CD LYS A 28 1.813 28.802 -10.440 1.00 33.42 C ATOM 382 CE LYS A 28 2.956 29.698 -10.892 1.00 41.24 C ATOM 383 NZ LYS A 28 4.272 29.005 -10.804 1.00 21.43 N ATOM 0 H LYS A 28 -3.401 29.128 -11.036 1.00 74.44 H new ATOM 0 HA LYS A 28 -1.253 27.963 -12.670 1.00 62.50 H new ATOM 0 HB2 LYS A 28 -1.094 28.828 -9.788 1.00 62.51 H new ATOM 0 HB3 LYS A 28 -0.263 27.363 -10.273 1.00 62.51 H new ATOM 0 HG2 LYS A 28 0.639 28.980 -12.226 1.00 23.33 H new ATOM 0 HG3 LYS A 28 0.299 30.206 -11.021 1.00 23.33 H new ATOM 0 HD2 LYS A 28 1.673 28.904 -9.364 1.00 33.42 H new ATOM 0 HD3 LYS A 28 2.069 27.760 -10.631 1.00 33.42 H new ATOM 0 HE2 LYS A 28 2.782 30.018 -11.919 1.00 41.24 H new ATOM 0 HE3 LYS A 28 2.977 30.598 -10.277 1.00 41.24 H new ATOM 0 HZ1 LYS A 28 5.025 29.649 -11.121 1.00 21.43 H new ATOM 0 HZ2 LYS A 28 4.450 28.722 -9.819 1.00 21.43 H new ATOM 0 HZ3 LYS A 28 4.261 28.160 -11.411 1.00 21.43 H new ATOM 397 N LYS A 29 -1.733 25.633 -11.525 1.00 33.03 N ATOM 398 CA LYS A 29 -2.302 24.318 -11.255 1.00 51.22 C ATOM 399 C LYS A 29 -1.425 23.534 -10.285 1.00 4.20 C ATOM 400 O LYS A 29 -0.353 23.994 -9.891 1.00 73.24 O ATOM 401 CB LYS A 29 -2.466 23.534 -12.559 1.00 32.22 C ATOM 402 CG LYS A 29 -3.081 24.347 -13.684 1.00 34.35 C ATOM 403 CD LYS A 29 -2.023 24.849 -14.653 1.00 52.24 C ATOM 404 CE LYS A 29 -2.549 25.986 -15.514 1.00 11.40 C ATOM 405 NZ LYS A 29 -1.448 26.840 -16.039 1.00 1.11 N ATOM 0 H LYS A 29 -0.760 25.616 -11.830 1.00 33.03 H new ATOM 0 HA LYS A 29 -3.281 24.460 -10.797 1.00 51.22 H new ATOM 0 HB2 LYS A 29 -1.490 23.168 -12.878 1.00 32.22 H new ATOM 0 HB3 LYS A 29 -3.089 22.659 -12.371 1.00 32.22 H new ATOM 0 HG2 LYS A 29 -3.807 23.736 -14.221 1.00 34.35 H new ATOM 0 HG3 LYS A 29 -3.625 25.195 -13.266 1.00 34.35 H new ATOM 0 HD2 LYS A 29 -1.149 25.188 -14.096 1.00 52.24 H new ATOM 0 HD3 LYS A 29 -1.695 24.029 -15.292 1.00 52.24 H new ATOM 0 HE2 LYS A 29 -3.120 25.576 -16.347 1.00 11.40 H new ATOM 0 HE3 LYS A 29 -3.235 26.598 -14.928 1.00 11.40 H new ATOM 0 HZ1 LYS A 29 -1.848 27.603 -16.621 1.00 1.11 H new ATOM 0 HZ2 LYS A 29 -0.919 27.252 -15.244 1.00 1.11 H new ATOM 0 HZ3 LYS A 29 -0.807 26.262 -16.619 1.00 1.11 H new ATOM 419 N PHE A 30 -1.887 22.348 -9.902 1.00 31.13 N ATOM 420 CA PHE A 30 -1.145 21.500 -8.978 1.00 55.41 C ATOM 421 C PHE A 30 0.050 20.854 -9.672 1.00 12.53 C ATOM 422 O PHE A 30 0.185 20.923 -10.893 1.00 32.43 O ATOM 423 CB PHE A 30 -2.058 20.418 -8.399 1.00 71.24 C ATOM 424 CG PHE A 30 -2.215 20.499 -6.908 1.00 60.24 C ATOM 425 CD1 PHE A 30 -1.702 19.506 -6.089 1.00 63.51 C ATOM 426 CD2 PHE A 30 -2.874 21.569 -6.325 1.00 4.01 C ATOM 427 CE1 PHE A 30 -1.845 19.578 -4.716 1.00 1.50 C ATOM 428 CE2 PHE A 30 -3.019 21.647 -4.953 1.00 42.13 C ATOM 429 CZ PHE A 30 -2.505 20.650 -4.147 1.00 13.34 C ATOM 0 H PHE A 30 -2.773 21.953 -10.218 1.00 31.13 H new ATOM 0 HA PHE A 30 -0.776 22.127 -8.166 1.00 55.41 H new ATOM 0 HB2 PHE A 30 -3.041 20.496 -8.864 1.00 71.24 H new ATOM 0 HB3 PHE A 30 -1.658 19.438 -8.661 1.00 71.24 H new ATOM 0 HD1 PHE A 30 -1.184 18.666 -6.528 1.00 63.51 H new ATOM 0 HD2 PHE A 30 -3.279 22.351 -6.950 1.00 4.01 H new ATOM 0 HE1 PHE A 30 -1.441 18.797 -4.089 1.00 1.50 H new ATOM 0 HE2 PHE A 30 -3.534 22.487 -4.511 1.00 42.13 H new ATOM 0 HZ PHE A 30 -2.619 20.708 -3.075 1.00 13.34 H new ATOM 439 N GLY A 31 0.919 20.228 -8.884 1.00 52.02 N ATOM 440 CA GLY A 31 2.092 19.580 -9.440 1.00 75.13 C ATOM 441 C GLY A 31 2.557 18.405 -8.603 1.00 51.22 C ATOM 442 O GLY A 31 1.850 17.960 -7.700 1.00 43.14 O ATOM 0 H GLY A 31 0.831 20.158 -7.870 1.00 52.02 H new ATOM 0 HA2 GLY A 31 1.869 19.237 -10.450 1.00 75.13 H new ATOM 0 HA3 GLY A 31 2.900 20.307 -9.521 1.00 75.13 H new ATOM 446 N GLU A 32 3.750 17.900 -8.904 1.00 22.11 N ATOM 447 CA GLU A 32 4.306 16.768 -8.173 1.00 34.11 C ATOM 448 C GLU A 32 5.034 17.235 -6.916 1.00 23.22 C ATOM 449 O GLU A 32 4.752 16.772 -5.813 1.00 75.33 O ATOM 450 CB GLU A 32 5.264 15.977 -9.066 1.00 14.14 C ATOM 451 CG GLU A 32 5.612 14.603 -8.518 1.00 10.32 C ATOM 452 CD GLU A 32 7.105 14.338 -8.513 1.00 14.55 C ATOM 453 OE1 GLU A 32 7.869 15.253 -8.138 1.00 62.31 O ATOM 454 OE2 GLU A 32 7.511 13.218 -8.885 1.00 73.30 O ATOM 0 H GLU A 32 4.349 18.257 -9.648 1.00 22.11 H new ATOM 0 HA GLU A 32 3.481 16.121 -7.874 1.00 34.11 H new ATOM 0 HB2 GLU A 32 4.816 15.862 -10.053 1.00 14.14 H new ATOM 0 HB3 GLU A 32 6.182 16.550 -9.197 1.00 14.14 H new ATOM 0 HG2 GLU A 32 5.227 14.513 -7.502 1.00 10.32 H new ATOM 0 HG3 GLU A 32 5.113 13.840 -9.116 1.00 10.32 H new ATOM 461 N GLY A 33 5.975 18.159 -7.093 1.00 31.13 N ATOM 462 CA GLY A 33 6.730 18.674 -5.967 1.00 64.30 C ATOM 463 C GLY A 33 5.837 19.243 -4.882 1.00 1.13 C ATOM 464 O GLY A 33 6.074 19.024 -3.695 1.00 40.14 O ATOM 0 H GLY A 33 6.227 18.559 -7.997 1.00 31.13 H new ATOM 0 HA2 GLY A 33 7.342 17.875 -5.548 1.00 64.30 H new ATOM 0 HA3 GLY A 33 7.413 19.449 -6.315 1.00 64.30 H new ATOM 468 N ASN A 34 4.807 19.979 -5.290 1.00 14.41 N ATOM 469 CA ASN A 34 3.877 20.584 -4.343 1.00 15.15 C ATOM 470 C ASN A 34 3.133 19.512 -3.552 1.00 30.02 C ATOM 471 O ASN A 34 3.047 19.579 -2.326 1.00 41.34 O ATOM 472 CB ASN A 34 2.877 21.476 -5.080 1.00 23.40 C ATOM 473 CG ASN A 34 1.907 22.160 -4.135 1.00 11.24 C ATOM 474 OD1 ASN A 34 2.210 23.212 -3.571 1.00 12.53 O ATOM 475 ND2 ASN A 34 0.733 21.564 -3.958 1.00 2.54 N ATOM 0 H ASN A 34 4.596 20.170 -6.269 1.00 14.41 H new ATOM 0 HA ASN A 34 4.451 21.193 -3.645 1.00 15.15 H new ATOM 0 HB2 ASN A 34 3.419 22.231 -5.650 1.00 23.40 H new ATOM 0 HB3 ASN A 34 2.318 20.875 -5.798 1.00 23.40 H new ATOM 0 HD21 ASN A 34 0.040 21.977 -3.334 1.00 2.54 H new ATOM 0 HD22 ASN A 34 0.525 20.693 -4.446 1.00 2.54 H new ATOM 482 N PHE A 35 2.598 18.525 -4.262 1.00 55.00 N ATOM 483 CA PHE A 35 1.862 17.438 -3.626 1.00 35.13 C ATOM 484 C PHE A 35 2.695 16.786 -2.526 1.00 30.54 C ATOM 485 O PHE A 35 2.177 16.433 -1.467 1.00 2.23 O ATOM 486 CB PHE A 35 1.458 16.391 -4.666 1.00 54.45 C ATOM 487 CG PHE A 35 0.929 15.121 -4.063 1.00 71.41 C ATOM 488 CD1 PHE A 35 1.581 13.916 -4.269 1.00 70.54 C ATOM 489 CD2 PHE A 35 -0.222 15.133 -3.290 1.00 15.30 C ATOM 490 CE1 PHE A 35 1.095 12.745 -3.715 1.00 10.11 C ATOM 491 CE2 PHE A 35 -0.711 13.966 -2.734 1.00 71.25 C ATOM 492 CZ PHE A 35 -0.053 12.771 -2.947 1.00 54.23 C ATOM 0 H PHE A 35 2.660 18.455 -5.278 1.00 55.00 H new ATOM 0 HA PHE A 35 0.963 17.857 -3.174 1.00 35.13 H new ATOM 0 HB2 PHE A 35 0.699 16.816 -5.322 1.00 54.45 H new ATOM 0 HB3 PHE A 35 2.322 16.156 -5.288 1.00 54.45 H new ATOM 0 HD1 PHE A 35 2.479 13.890 -4.869 1.00 70.54 H new ATOM 0 HD2 PHE A 35 -0.742 16.064 -3.121 1.00 15.30 H new ATOM 0 HE1 PHE A 35 1.612 11.812 -3.883 1.00 10.11 H new ATOM 0 HE2 PHE A 35 -1.608 13.989 -2.133 1.00 71.25 H new ATOM 0 HZ PHE A 35 -0.435 11.858 -2.514 1.00 54.23 H new ATOM 502 N ARG A 36 3.988 16.629 -2.787 1.00 11.23 N ATOM 503 CA ARG A 36 4.894 16.018 -1.822 1.00 3.22 C ATOM 504 C ARG A 36 4.996 16.868 -0.559 1.00 12.24 C ATOM 505 O ARG A 36 4.781 16.380 0.550 1.00 73.53 O ATOM 506 CB ARG A 36 6.282 15.833 -2.438 1.00 21.41 C ATOM 507 CG ARG A 36 6.251 15.259 -3.846 1.00 70.12 C ATOM 508 CD ARG A 36 7.160 14.047 -3.973 1.00 52.30 C ATOM 509 NE ARG A 36 6.655 13.084 -4.947 1.00 33.12 N ATOM 510 CZ ARG A 36 7.338 12.018 -5.349 1.00 72.44 C ATOM 511 NH1 ARG A 36 8.547 11.779 -4.863 1.00 44.50 N ATOM 512 NH2 ARG A 36 6.810 11.186 -6.239 1.00 3.23 N ATOM 0 H ARG A 36 4.432 16.917 -3.659 1.00 11.23 H new ATOM 0 HA ARG A 36 4.491 15.042 -1.552 1.00 3.22 H new ATOM 0 HB2 ARG A 36 6.793 16.796 -2.458 1.00 21.41 H new ATOM 0 HB3 ARG A 36 6.869 15.174 -1.799 1.00 21.41 H new ATOM 0 HG2 ARG A 36 5.230 14.978 -4.103 1.00 70.12 H new ATOM 0 HG3 ARG A 36 6.560 16.023 -4.559 1.00 70.12 H new ATOM 0 HD2 ARG A 36 8.158 14.372 -4.268 1.00 52.30 H new ATOM 0 HD3 ARG A 36 7.257 13.563 -3.001 1.00 52.30 H new ATOM 0 HE ARG A 36 5.727 13.238 -5.340 1.00 33.12 H new ATOM 0 HH11 ARG A 36 8.956 12.414 -4.178 1.00 44.50 H new ATOM 0 HH12 ARG A 36 9.069 10.960 -5.174 1.00 44.50 H new ATOM 0 HH21 ARG A 36 5.879 11.365 -6.615 1.00 3.23 H new ATOM 0 HH22 ARG A 36 7.336 10.368 -6.547 1.00 3.23 H new ATOM 526 N TRP A 37 5.327 18.142 -0.736 1.00 64.30 N ATOM 527 CA TRP A 37 5.458 19.061 0.390 1.00 42.35 C ATOM 528 C TRP A 37 4.203 19.044 1.256 1.00 53.22 C ATOM 529 O TRP A 37 4.271 19.253 2.466 1.00 43.05 O ATOM 530 CB TRP A 37 5.727 20.481 -0.112 1.00 13.10 C ATOM 531 CG TRP A 37 5.570 21.526 0.951 1.00 34.34 C ATOM 532 CD1 TRP A 37 6.564 22.101 1.688 1.00 53.50 C ATOM 533 CD2 TRP A 37 4.345 22.118 1.395 1.00 63.41 C ATOM 534 NE1 TRP A 37 6.032 23.016 2.564 1.00 21.23 N ATOM 535 CE2 TRP A 37 4.673 23.045 2.404 1.00 24.41 C ATOM 536 CE3 TRP A 37 3.003 21.957 1.038 1.00 65.33 C ATOM 537 CZ2 TRP A 37 3.706 23.805 3.058 1.00 5.32 C ATOM 538 CZ3 TRP A 37 2.046 22.713 1.688 1.00 22.21 C ATOM 539 CH2 TRP A 37 2.400 23.628 2.688 1.00 0.32 C ATOM 0 H TRP A 37 5.510 18.562 -1.647 1.00 64.30 H new ATOM 0 HA TRP A 37 6.301 18.733 0.998 1.00 42.35 H new ATOM 0 HB2 TRP A 37 6.739 20.531 -0.514 1.00 13.10 H new ATOM 0 HB3 TRP A 37 5.046 20.703 -0.934 1.00 13.10 H new ATOM 0 HD1 TRP A 37 7.615 21.871 1.596 1.00 53.50 H new ATOM 0 HE1 TRP A 37 6.563 23.582 3.226 1.00 21.23 H new ATOM 0 HE3 TRP A 37 2.719 21.255 0.268 1.00 65.33 H new ATOM 0 HZ2 TRP A 37 3.977 24.510 3.830 1.00 5.32 H new ATOM 0 HZ3 TRP A 37 1.006 22.596 1.420 1.00 22.21 H new ATOM 0 HH2 TRP A 37 1.628 24.205 3.176 1.00 0.32 H new ATOM 550 N ALA A 38 3.060 18.792 0.629 1.00 32.52 N ATOM 551 CA ALA A 38 1.790 18.745 1.343 1.00 45.33 C ATOM 552 C ALA A 38 1.582 17.386 2.004 1.00 4.41 C ATOM 553 O ALA A 38 1.526 17.285 3.230 1.00 45.32 O ATOM 554 CB ALA A 38 0.640 19.055 0.397 1.00 20.34 C ATOM 0 H ALA A 38 2.987 18.617 -0.373 1.00 32.52 H new ATOM 0 HA ALA A 38 1.814 19.502 2.127 1.00 45.33 H new ATOM 0 HB1 ALA A 38 -0.302 19.016 0.944 1.00 20.34 H new ATOM 0 HB2 ALA A 38 0.774 20.051 -0.024 1.00 20.34 H new ATOM 0 HB3 ALA A 38 0.623 18.320 -0.408 1.00 20.34 H new ATOM 560 N ILE A 39 1.468 16.347 1.186 1.00 60.10 N ATOM 561 CA ILE A 39 1.266 14.995 1.693 1.00 14.22 C ATOM 562 C ILE A 39 2.292 14.653 2.767 1.00 60.05 C ATOM 563 O ILE A 39 1.995 13.921 3.711 1.00 43.45 O ATOM 564 CB ILE A 39 1.356 13.951 0.563 1.00 61.33 C ATOM 565 CG1 ILE A 39 0.930 12.574 1.076 1.00 40.41 C ATOM 566 CG2 ILE A 39 2.768 13.900 0.000 1.00 54.14 C ATOM 567 CD1 ILE A 39 0.712 11.559 -0.024 1.00 0.42 C ATOM 0 H ILE A 39 1.512 16.414 0.169 1.00 60.10 H new ATOM 0 HA ILE A 39 0.266 14.966 2.126 1.00 14.22 H new ATOM 0 HB ILE A 39 0.678 14.245 -0.238 1.00 61.33 H new ATOM 0 HG12 ILE A 39 1.692 12.199 1.760 1.00 40.41 H new ATOM 0 HG13 ILE A 39 0.010 12.678 1.650 1.00 40.41 H new ATOM 0 HG21 ILE A 39 2.815 13.158 -0.797 1.00 54.14 H new ATOM 0 HG22 ILE A 39 3.036 14.878 -0.399 1.00 54.14 H new ATOM 0 HG23 ILE A 39 3.466 13.627 0.792 1.00 54.14 H new ATOM 0 HD11 ILE A 39 0.412 10.607 0.414 1.00 0.42 H new ATOM 0 HD12 ILE A 39 -0.071 11.912 -0.695 1.00 0.42 H new ATOM 0 HD13 ILE A 39 1.637 11.425 -0.584 1.00 0.42 H new ATOM 579 N ARG A 40 3.499 15.187 2.618 1.00 0.31 N ATOM 580 CA ARG A 40 4.569 14.939 3.576 1.00 40.14 C ATOM 581 C ARG A 40 4.362 15.759 4.847 1.00 62.14 C ATOM 582 O ARG A 40 4.307 15.212 5.949 1.00 14.44 O ATOM 583 CB ARG A 40 5.927 15.274 2.956 1.00 25.24 C ATOM 584 CG ARG A 40 7.103 14.651 3.690 1.00 41.31 C ATOM 585 CD ARG A 40 7.938 13.781 2.765 1.00 53.20 C ATOM 586 NE ARG A 40 7.543 12.376 2.829 1.00 72.43 N ATOM 587 CZ ARG A 40 8.005 11.444 2.003 1.00 64.14 C ATOM 588 NH1 ARG A 40 8.875 11.765 1.056 1.00 3.41 N ATOM 589 NH2 ARG A 40 7.597 10.187 2.125 1.00 1.13 N ATOM 0 H ARG A 40 3.761 15.795 1.842 1.00 0.31 H new ATOM 0 HA ARG A 40 4.549 13.881 3.839 1.00 40.14 H new ATOM 0 HB2 ARG A 40 5.937 14.937 1.920 1.00 25.24 H new ATOM 0 HB3 ARG A 40 6.052 16.357 2.940 1.00 25.24 H new ATOM 0 HG2 ARG A 40 7.727 15.438 4.113 1.00 41.31 H new ATOM 0 HG3 ARG A 40 6.737 14.051 4.523 1.00 41.31 H new ATOM 0 HD2 ARG A 40 7.836 14.140 1.741 1.00 53.20 H new ATOM 0 HD3 ARG A 40 8.991 13.874 3.032 1.00 53.20 H new ATOM 0 HE ARG A 40 6.876 12.095 3.548 1.00 72.43 H new ATOM 0 HH11 ARG A 40 9.192 12.730 0.960 1.00 3.41 H new ATOM 0 HH12 ARG A 40 9.228 11.047 0.423 1.00 3.41 H new ATOM 0 HH21 ARG A 40 6.928 9.936 2.853 1.00 1.13 H new ATOM 0 HH22 ARG A 40 7.952 9.472 1.490 1.00 1.13 H new ATOM 603 N MET A 41 4.248 17.073 4.685 1.00 21.11 N ATOM 604 CA MET A 41 4.046 17.968 5.819 1.00 60.20 C ATOM 605 C MET A 41 2.826 17.546 6.633 1.00 4.54 C ATOM 606 O MET A 41 2.808 17.682 7.856 1.00 52.34 O ATOM 607 CB MET A 41 3.878 19.410 5.335 1.00 54.24 C ATOM 608 CG MET A 41 3.753 20.418 6.465 1.00 4.13 C ATOM 609 SD MET A 41 2.325 21.503 6.273 1.00 51.32 S ATOM 610 CE MET A 41 1.832 21.718 7.982 1.00 51.30 C ATOM 0 H MET A 41 4.292 17.542 3.780 1.00 21.11 H new ATOM 0 HA MET A 41 4.926 17.908 6.459 1.00 60.20 H new ATOM 0 HB2 MET A 41 4.732 19.678 4.713 1.00 54.24 H new ATOM 0 HB3 MET A 41 2.992 19.472 4.704 1.00 54.24 H new ATOM 0 HG2 MET A 41 3.676 19.887 7.414 1.00 4.13 H new ATOM 0 HG3 MET A 41 4.660 21.022 6.510 1.00 4.13 H new ATOM 0 HE1 MET A 41 0.958 22.367 8.030 1.00 51.30 H new ATOM 0 HE2 MET A 41 1.587 20.748 8.415 1.00 51.30 H new ATOM 0 HE3 MET A 41 2.650 22.170 8.543 1.00 51.30 H new ATOM 620 N ALA A 42 1.810 17.037 5.946 1.00 70.35 N ATOM 621 CA ALA A 42 0.588 16.594 6.607 1.00 21.43 C ATOM 622 C ALA A 42 0.813 15.291 7.365 1.00 12.41 C ATOM 623 O ALA A 42 0.354 15.131 8.495 1.00 23.34 O ATOM 624 CB ALA A 42 -0.531 16.428 5.589 1.00 72.50 C ATOM 0 H ALA A 42 1.808 16.921 4.933 1.00 70.35 H new ATOM 0 HA ALA A 42 0.299 17.357 7.329 1.00 21.43 H new ATOM 0 HB1 ALA A 42 -1.438 16.097 6.096 1.00 72.50 H new ATOM 0 HB2 ALA A 42 -0.719 17.382 5.096 1.00 72.50 H new ATOM 0 HB3 ALA A 42 -0.239 15.686 4.845 1.00 72.50 H new ATOM 630 N ASN A 43 1.524 14.361 6.735 1.00 62.24 N ATOM 631 CA ASN A 43 1.810 13.070 7.350 1.00 62.52 C ATOM 632 C ASN A 43 2.615 13.246 8.635 1.00 60.00 C ATOM 633 O ASN A 43 2.222 12.764 9.698 1.00 20.05 O ATOM 634 CB ASN A 43 2.575 12.174 6.374 1.00 24.02 C ATOM 635 CG ASN A 43 1.759 10.977 5.927 1.00 25.42 C ATOM 636 OD1 ASN A 43 0.528 11.009 5.947 1.00 52.03 O ATOM 637 ND2 ASN A 43 2.442 9.914 5.520 1.00 1.23 N ATOM 0 H ASN A 43 1.912 14.478 5.799 1.00 62.24 H new ATOM 0 HA ASN A 43 0.860 12.596 7.599 1.00 62.52 H new ATOM 0 HB2 ASN A 43 2.866 12.758 5.501 1.00 24.02 H new ATOM 0 HB3 ASN A 43 3.494 11.828 6.847 1.00 24.02 H new ATOM 0 HD21 ASN A 43 1.947 9.079 5.207 1.00 1.23 H new ATOM 0 HD22 ASN A 43 3.462 9.932 5.520 1.00 1.23 H new ATOM 644 N VAL A 44 3.743 13.941 8.529 1.00 72.40 N ATOM 645 CA VAL A 44 4.603 14.182 9.681 1.00 44.33 C ATOM 646 C VAL A 44 3.874 14.985 10.752 1.00 4.12 C ATOM 647 O VAL A 44 4.055 14.754 11.947 1.00 62.11 O ATOM 648 CB VAL A 44 5.886 14.933 9.276 1.00 10.20 C ATOM 649 CG1 VAL A 44 6.787 15.141 10.484 1.00 73.14 C ATOM 650 CG2 VAL A 44 6.619 14.180 8.177 1.00 53.44 C ATOM 0 H VAL A 44 4.082 14.347 7.657 1.00 72.40 H new ATOM 0 HA VAL A 44 4.874 13.206 10.084 1.00 44.33 H new ATOM 0 HB VAL A 44 5.606 15.913 8.889 1.00 10.20 H new ATOM 0 HG11 VAL A 44 7.688 15.673 10.179 1.00 73.14 H new ATOM 0 HG12 VAL A 44 6.258 15.726 11.236 1.00 73.14 H new ATOM 0 HG13 VAL A 44 7.062 14.173 10.904 1.00 73.14 H new ATOM 0 HG21 VAL A 44 7.523 14.725 7.903 1.00 53.44 H new ATOM 0 HG22 VAL A 44 6.888 13.186 8.534 1.00 53.44 H new ATOM 0 HG23 VAL A 44 5.972 14.089 7.305 1.00 53.44 H new ATOM 660 N SER A 45 3.047 15.931 10.315 1.00 53.30 N ATOM 661 CA SER A 45 2.292 16.771 11.237 1.00 1.23 C ATOM 662 C SER A 45 1.280 15.943 12.023 1.00 21.05 C ATOM 663 O SER A 45 0.856 16.330 13.112 1.00 63.35 O ATOM 664 CB SER A 45 1.573 17.885 10.473 1.00 14.52 C ATOM 665 OG SER A 45 2.467 18.933 10.137 1.00 52.20 O ATOM 0 H SER A 45 2.884 16.134 9.329 1.00 53.30 H new ATOM 0 HA SER A 45 2.995 17.217 11.941 1.00 1.23 H new ATOM 0 HB2 SER A 45 1.127 17.478 9.565 1.00 14.52 H new ATOM 0 HB3 SER A 45 0.758 18.279 11.080 1.00 14.52 H new ATOM 0 HG SER A 45 2.905 18.729 9.284 1.00 52.20 H new ATOM 671 N THR A 46 0.897 14.801 11.461 1.00 40.12 N ATOM 672 CA THR A 46 -0.066 13.917 12.107 1.00 23.01 C ATOM 673 C THR A 46 0.637 12.778 12.837 1.00 30.22 C ATOM 674 O THR A 46 0.045 11.727 13.082 1.00 14.24 O ATOM 675 CB THR A 46 -1.057 13.326 11.088 1.00 71.33 C ATOM 676 OG1 THR A 46 -0.363 12.942 9.895 1.00 4.55 O ATOM 677 CG2 THR A 46 -2.146 14.331 10.746 1.00 32.51 C ATOM 0 H THR A 46 1.239 14.466 10.560 1.00 40.12 H new ATOM 0 HA THR A 46 -0.616 14.521 12.828 1.00 23.01 H new ATOM 0 HB THR A 46 -1.523 12.448 11.535 1.00 71.33 H new ATOM 0 HG1 THR A 46 0.546 12.654 10.123 1.00 4.55 H new ATOM 0 HG21 THR A 46 -2.834 13.891 10.024 1.00 32.51 H new ATOM 0 HG22 THR A 46 -2.692 14.598 11.651 1.00 32.51 H new ATOM 0 HG23 THR A 46 -1.694 15.225 10.317 1.00 32.51 H new ATOM 685 N GLY A 47 1.902 12.994 13.183 1.00 62.02 N ATOM 686 CA GLY A 47 2.664 11.976 13.882 1.00 62.32 C ATOM 687 C GLY A 47 2.619 10.634 13.179 1.00 1.33 C ATOM 688 O GLY A 47 2.740 9.587 13.817 1.00 24.12 O ATOM 0 H GLY A 47 2.413 13.856 12.992 1.00 62.02 H new ATOM 0 HA2 GLY A 47 3.701 12.301 13.973 1.00 62.32 H new ATOM 0 HA3 GLY A 47 2.275 11.866 14.894 1.00 62.32 H new ATOM 692 N ARG A 48 2.446 10.663 11.862 1.00 62.41 N ATOM 693 CA ARG A 48 2.382 9.439 11.072 1.00 52.54 C ATOM 694 C ARG A 48 3.759 9.072 10.528 1.00 53.41 C ATOM 695 O ARG A 48 4.512 9.938 10.083 1.00 23.00 O ATOM 696 CB ARG A 48 1.392 9.602 9.917 1.00 2.41 C ATOM 697 CG ARG A 48 0.176 8.698 10.026 1.00 63.31 C ATOM 698 CD ARG A 48 -1.071 9.485 10.401 1.00 1.02 C ATOM 699 NE ARG A 48 -2.212 8.611 10.662 1.00 24.01 N ATOM 700 CZ ARG A 48 -2.894 7.988 9.708 1.00 30.33 C ATOM 701 NH1 ARG A 48 -2.552 8.141 8.436 1.00 15.40 N ATOM 702 NH2 ARG A 48 -3.920 7.209 10.025 1.00 4.23 N ATOM 0 H ARG A 48 2.348 11.521 11.319 1.00 62.41 H new ATOM 0 HA ARG A 48 2.040 8.634 11.722 1.00 52.54 H new ATOM 0 HB2 ARG A 48 1.061 10.640 9.877 1.00 2.41 H new ATOM 0 HB3 ARG A 48 1.905 9.395 8.978 1.00 2.41 H new ATOM 0 HG2 ARG A 48 0.014 8.188 9.076 1.00 63.31 H new ATOM 0 HG3 ARG A 48 0.360 7.927 10.774 1.00 63.31 H new ATOM 0 HD2 ARG A 48 -0.867 10.088 11.286 1.00 1.02 H new ATOM 0 HD3 ARG A 48 -1.320 10.175 9.595 1.00 1.02 H new ATOM 0 HE ARG A 48 -2.501 8.472 11.630 1.00 24.01 H new ATOM 0 HH11 ARG A 48 -1.763 8.738 8.188 1.00 15.40 H new ATOM 0 HH12 ARG A 48 -3.078 7.661 7.705 1.00 15.40 H new ATOM 0 HH21 ARG A 48 -4.186 7.088 11.002 1.00 4.23 H new ATOM 0 HH22 ARG A 48 -4.443 6.731 9.291 1.00 4.23 H new ATOM 716 N GLU A 49 4.082 7.783 10.568 1.00 35.14 N ATOM 717 CA GLU A 49 5.369 7.302 10.079 1.00 24.12 C ATOM 718 C GLU A 49 5.634 7.802 8.661 1.00 45.41 C ATOM 719 O GLU A 49 4.723 8.203 7.937 1.00 43.42 O ATOM 720 CB GLU A 49 5.412 5.773 10.108 1.00 23.32 C ATOM 721 CG GLU A 49 6.040 5.206 11.369 1.00 40.23 C ATOM 722 CD GLU A 49 5.231 4.069 11.964 1.00 24.30 C ATOM 723 OE1 GLU A 49 5.771 2.948 12.070 1.00 11.33 O ATOM 724 OE2 GLU A 49 4.056 4.300 12.322 1.00 51.51 O ATOM 0 H GLU A 49 3.470 7.053 10.934 1.00 35.14 H new ATOM 0 HA GLU A 49 6.147 7.693 10.735 1.00 24.12 H new ATOM 0 HB2 GLU A 49 4.397 5.388 10.013 1.00 23.32 H new ATOM 0 HB3 GLU A 49 5.971 5.417 9.242 1.00 23.32 H new ATOM 0 HG2 GLU A 49 7.045 4.851 11.142 1.00 40.23 H new ATOM 0 HG3 GLU A 49 6.142 6.000 12.108 1.00 40.23 H new ATOM 731 N PRO A 50 6.913 7.780 8.257 1.00 24.32 N ATOM 732 CA PRO A 50 7.329 8.228 6.924 1.00 0.41 C ATOM 733 C PRO A 50 6.861 7.283 5.822 1.00 45.32 C ATOM 734 O PRO A 50 6.619 7.704 4.692 1.00 14.42 O ATOM 735 CB PRO A 50 8.857 8.231 7.013 1.00 13.45 C ATOM 736 CG PRO A 50 9.178 7.238 8.075 1.00 25.20 C ATOM 737 CD PRO A 50 8.050 7.315 9.068 1.00 3.54 C ATOM 0 HA PRO A 50 6.901 9.197 6.667 1.00 0.41 H new ATOM 0 HB2 PRO A 50 9.309 7.952 6.061 1.00 13.45 H new ATOM 0 HB3 PRO A 50 9.236 9.220 7.269 1.00 13.45 H new ATOM 0 HG2 PRO A 50 9.263 6.234 7.658 1.00 25.20 H new ATOM 0 HG3 PRO A 50 10.132 7.468 8.549 1.00 25.20 H new ATOM 0 HD2 PRO A 50 7.849 6.345 9.524 1.00 3.54 H new ATOM 0 HD3 PRO A 50 8.275 8.008 9.879 1.00 3.54 H new ATOM 745 N GLY A 51 6.734 6.004 6.161 1.00 55.42 N ATOM 746 CA GLY A 51 6.296 5.019 5.189 1.00 5.15 C ATOM 747 C GLY A 51 4.786 4.898 5.128 1.00 65.13 C ATOM 748 O GLY A 51 4.243 3.794 5.181 1.00 22.32 O ATOM 0 H GLY A 51 6.926 5.632 7.091 1.00 55.42 H new ATOM 0 HA2 GLY A 51 6.676 5.291 4.204 1.00 5.15 H new ATOM 0 HA3 GLY A 51 6.726 4.049 5.440 1.00 5.15 H new ATOM 752 N ASP A 52 4.106 6.034 5.021 1.00 14.45 N ATOM 753 CA ASP A 52 2.649 6.051 4.954 1.00 53.10 C ATOM 754 C ASP A 52 2.172 6.732 3.676 1.00 21.33 C ATOM 755 O ASP A 52 1.742 7.886 3.700 1.00 62.45 O ATOM 756 CB ASP A 52 2.070 6.765 6.176 1.00 62.30 C ATOM 757 CG ASP A 52 1.884 5.833 7.357 1.00 43.01 C ATOM 758 OD1 ASP A 52 2.371 4.685 7.291 1.00 32.12 O ATOM 759 OD2 ASP A 52 1.251 6.253 8.349 1.00 74.02 O ATOM 0 H ASP A 52 4.540 6.956 4.979 1.00 14.45 H new ATOM 0 HA ASP A 52 2.297 5.019 4.946 1.00 53.10 H new ATOM 0 HB2 ASP A 52 2.731 7.583 6.463 1.00 62.30 H new ATOM 0 HB3 ASP A 52 1.110 7.209 5.913 1.00 62.30 H new ATOM 764 N ILE A 53 2.252 6.013 2.562 1.00 33.03 N ATOM 765 CA ILE A 53 1.828 6.549 1.275 1.00 3.20 C ATOM 766 C ILE A 53 0.587 5.826 0.760 1.00 5.24 C ATOM 767 O ILE A 53 0.660 4.963 -0.115 1.00 0.33 O ATOM 768 CB ILE A 53 2.947 6.439 0.222 1.00 70.44 C ATOM 769 CG1 ILE A 53 2.441 6.908 -1.143 1.00 60.31 C ATOM 770 CG2 ILE A 53 3.457 5.008 0.141 1.00 33.22 C ATOM 771 CD1 ILE A 53 3.333 7.940 -1.796 1.00 25.23 C ATOM 0 H ILE A 53 2.607 5.057 2.525 1.00 33.03 H new ATOM 0 HA ILE A 53 1.593 7.601 1.434 1.00 3.20 H new ATOM 0 HB ILE A 53 3.774 7.083 0.522 1.00 70.44 H new ATOM 0 HG12 ILE A 53 2.352 6.046 -1.804 1.00 60.31 H new ATOM 0 HG13 ILE A 53 1.441 7.325 -1.027 1.00 60.31 H new ATOM 0 HG21 ILE A 53 4.247 4.945 -0.607 1.00 33.22 H new ATOM 0 HG22 ILE A 53 3.851 4.707 1.112 1.00 33.22 H new ATOM 0 HG23 ILE A 53 2.638 4.345 -0.140 1.00 33.22 H new ATOM 0 HD11 ILE A 53 2.913 8.226 -2.760 1.00 25.23 H new ATOM 0 HD12 ILE A 53 3.402 8.819 -1.155 1.00 25.23 H new ATOM 0 HD13 ILE A 53 4.328 7.520 -1.944 1.00 25.23 H new ATOM 783 N PRO A 54 -0.580 6.187 1.314 1.00 31.33 N ATOM 784 CA PRO A 54 -1.859 5.587 0.923 1.00 45.34 C ATOM 785 C PRO A 54 -2.287 5.996 -0.482 1.00 71.42 C ATOM 786 O PRO A 54 -1.549 6.679 -1.191 1.00 43.34 O ATOM 787 CB PRO A 54 -2.840 6.138 1.962 1.00 30.22 C ATOM 788 CG PRO A 54 -2.229 7.417 2.420 1.00 2.43 C ATOM 789 CD PRO A 54 -0.740 7.209 2.362 1.00 21.24 C ATOM 0 HA PRO A 54 -1.808 4.498 0.898 1.00 45.34 H new ATOM 0 HB2 PRO A 54 -3.826 6.304 1.527 1.00 30.22 H new ATOM 0 HB3 PRO A 54 -2.970 5.442 2.791 1.00 30.22 H new ATOM 0 HG2 PRO A 54 -2.532 8.246 1.780 1.00 2.43 H new ATOM 0 HG3 PRO A 54 -2.550 7.662 3.433 1.00 2.43 H new ATOM 0 HD2 PRO A 54 -0.215 8.130 2.109 1.00 21.24 H new ATOM 0 HD3 PRO A 54 -0.344 6.869 3.319 1.00 21.24 H new ATOM 797 N GLU A 55 -3.484 5.573 -0.878 1.00 21.10 N ATOM 798 CA GLU A 55 -4.009 5.896 -2.199 1.00 54.41 C ATOM 799 C GLU A 55 -5.433 5.373 -2.362 1.00 75.22 C ATOM 800 O GLU A 55 -5.741 4.662 -3.319 1.00 54.25 O ATOM 801 CB GLU A 55 -3.109 5.305 -3.287 1.00 35.41 C ATOM 802 CG GLU A 55 -3.059 6.140 -4.556 1.00 53.05 C ATOM 803 CD GLU A 55 -4.438 6.432 -5.116 1.00 73.01 C ATOM 804 OE1 GLU A 55 -4.935 5.618 -5.923 1.00 1.51 O ATOM 805 OE2 GLU A 55 -5.019 7.473 -4.749 1.00 24.44 O ATOM 0 H GLU A 55 -4.107 5.006 -0.303 1.00 21.10 H new ATOM 0 HA GLU A 55 -4.026 6.981 -2.300 1.00 54.41 H new ATOM 0 HB2 GLU A 55 -2.099 5.198 -2.892 1.00 35.41 H new ATOM 0 HB3 GLU A 55 -3.462 4.304 -3.535 1.00 35.41 H new ATOM 0 HG2 GLU A 55 -2.549 7.080 -4.348 1.00 53.05 H new ATOM 0 HG3 GLU A 55 -2.469 5.617 -5.308 1.00 53.05 H new ATOM 812 N THR A 56 -6.299 5.730 -1.419 1.00 63.33 N ATOM 813 CA THR A 56 -7.690 5.297 -1.455 1.00 31.40 C ATOM 814 C THR A 56 -8.617 6.375 -0.906 1.00 12.23 C ATOM 815 O THR A 56 -8.192 7.242 -0.140 1.00 73.23 O ATOM 816 CB THR A 56 -7.896 4.001 -0.648 1.00 54.24 C ATOM 817 OG1 THR A 56 -7.836 4.281 0.755 1.00 31.43 O ATOM 818 CG2 THR A 56 -6.841 2.965 -1.008 1.00 31.43 C ATOM 0 H THR A 56 -6.061 6.318 -0.620 1.00 63.33 H new ATOM 0 HA THR A 56 -7.935 5.109 -2.500 1.00 31.40 H new ATOM 0 HB THR A 56 -8.878 3.599 -0.896 1.00 54.24 H new ATOM 0 HG1 THR A 56 -7.760 3.441 1.253 1.00 31.43 H new ATOM 0 HG21 THR A 56 -7.007 2.059 -0.425 1.00 31.43 H new ATOM 0 HG22 THR A 56 -6.909 2.731 -2.070 1.00 31.43 H new ATOM 0 HG23 THR A 56 -5.850 3.362 -0.786 1.00 31.43 H new ATOM 826 N LEU A 57 -9.884 6.318 -1.301 1.00 34.01 N ATOM 827 CA LEU A 57 -10.871 7.291 -0.848 1.00 33.30 C ATOM 828 C LEU A 57 -11.014 7.255 0.669 1.00 45.15 C ATOM 829 O LEU A 57 -11.242 8.284 1.306 1.00 3.31 O ATOM 830 CB LEU A 57 -12.225 7.017 -1.506 1.00 50.41 C ATOM 831 CG LEU A 57 -13.063 8.247 -1.855 1.00 60.01 C ATOM 832 CD1 LEU A 57 -13.386 9.046 -0.602 1.00 61.12 C ATOM 833 CD2 LEU A 57 -12.338 9.116 -2.871 1.00 10.04 C ATOM 0 H LEU A 57 -10.252 5.608 -1.934 1.00 34.01 H new ATOM 0 HA LEU A 57 -10.527 8.284 -1.138 1.00 33.30 H new ATOM 0 HB2 LEU A 57 -12.054 6.448 -2.420 1.00 50.41 H new ATOM 0 HB3 LEU A 57 -12.808 6.382 -0.839 1.00 50.41 H new ATOM 0 HG LEU A 57 -14.000 7.910 -2.298 1.00 60.01 H new ATOM 0 HD11 LEU A 57 -13.983 9.918 -0.870 1.00 61.12 H new ATOM 0 HD12 LEU A 57 -13.947 8.422 0.093 1.00 61.12 H new ATOM 0 HD13 LEU A 57 -12.459 9.372 -0.130 1.00 61.12 H new ATOM 0 HD21 LEU A 57 -12.950 9.987 -3.107 1.00 10.04 H new ATOM 0 HD22 LEU A 57 -11.385 9.444 -2.455 1.00 10.04 H new ATOM 0 HD23 LEU A 57 -12.159 8.541 -3.780 1.00 10.04 H new ATOM 845 N ASP A 58 -10.877 6.065 1.244 1.00 14.32 N ATOM 846 CA ASP A 58 -10.987 5.895 2.688 1.00 23.41 C ATOM 847 C ASP A 58 -9.766 6.471 3.397 1.00 50.22 C ATOM 848 O ASP A 58 -9.889 7.118 4.438 1.00 12.44 O ATOM 849 CB ASP A 58 -11.145 4.414 3.039 1.00 0.04 C ATOM 850 CG ASP A 58 -12.119 4.191 4.178 1.00 73.34 C ATOM 851 OD1 ASP A 58 -13.323 4.001 3.902 1.00 34.33 O ATOM 852 OD2 ASP A 58 -11.679 4.203 5.346 1.00 12.32 O ATOM 0 H ASP A 58 -10.689 5.203 0.731 1.00 14.32 H new ATOM 0 HA ASP A 58 -11.871 6.436 3.026 1.00 23.41 H new ATOM 0 HB2 ASP A 58 -11.488 3.870 2.159 1.00 0.04 H new ATOM 0 HB3 ASP A 58 -10.173 4.002 3.310 1.00 0.04 H new ATOM 857 N GLN A 59 -8.589 6.230 2.829 1.00 61.30 N ATOM 858 CA GLN A 59 -7.346 6.723 3.409 1.00 12.43 C ATOM 859 C GLN A 59 -7.245 8.239 3.274 1.00 31.33 C ATOM 860 O GLN A 59 -6.854 8.933 4.214 1.00 71.35 O ATOM 861 CB GLN A 59 -6.145 6.059 2.733 1.00 0.51 C ATOM 862 CG GLN A 59 -5.677 4.793 3.432 1.00 14.31 C ATOM 863 CD GLN A 59 -5.827 3.558 2.565 1.00 62.33 C ATOM 864 OE1 GLN A 59 -6.820 2.836 2.662 1.00 23.33 O ATOM 865 NE2 GLN A 59 -4.841 3.309 1.713 1.00 20.24 N ATOM 0 H GLN A 59 -8.470 5.696 1.968 1.00 61.30 H new ATOM 0 HA GLN A 59 -7.344 6.470 4.469 1.00 12.43 H new ATOM 0 HB2 GLN A 59 -6.405 5.820 1.702 1.00 0.51 H new ATOM 0 HB3 GLN A 59 -5.320 6.770 2.697 1.00 0.51 H new ATOM 0 HG2 GLN A 59 -4.631 4.906 3.719 1.00 14.31 H new ATOM 0 HG3 GLN A 59 -6.247 4.658 4.351 1.00 14.31 H new ATOM 0 HE21 GLN A 59 -4.037 3.935 1.667 1.00 20.24 H new ATOM 0 HE22 GLN A 59 -4.887 2.492 1.104 1.00 20.24 H new ATOM 874 N LEU A 60 -7.602 8.749 2.100 1.00 53.41 N ATOM 875 CA LEU A 60 -7.553 10.184 1.842 1.00 14.11 C ATOM 876 C LEU A 60 -8.498 10.937 2.771 1.00 72.51 C ATOM 877 O LEU A 60 -8.158 11.998 3.293 1.00 10.04 O ATOM 878 CB LEU A 60 -7.914 10.472 0.384 1.00 14.14 C ATOM 879 CG LEU A 60 -6.740 10.593 -0.588 1.00 0.23 C ATOM 880 CD1 LEU A 60 -5.962 11.875 -0.328 1.00 62.22 C ATOM 881 CD2 LEU A 60 -5.825 9.382 -0.475 1.00 63.11 C ATOM 0 H LEU A 60 -7.929 8.190 1.312 1.00 53.41 H new ATOM 0 HA LEU A 60 -6.537 10.528 2.033 1.00 14.11 H new ATOM 0 HB2 LEU A 60 -8.572 9.678 0.030 1.00 14.14 H new ATOM 0 HB3 LEU A 60 -8.486 11.399 0.349 1.00 14.14 H new ATOM 0 HG LEU A 60 -7.137 10.630 -1.603 1.00 0.23 H new ATOM 0 HD11 LEU A 60 -5.130 11.944 -1.029 1.00 62.22 H new ATOM 0 HD12 LEU A 60 -6.621 12.733 -0.460 1.00 62.22 H new ATOM 0 HD13 LEU A 60 -5.577 11.867 0.692 1.00 62.22 H new ATOM 0 HD21 LEU A 60 -4.995 9.486 -1.174 1.00 63.11 H new ATOM 0 HD22 LEU A 60 -5.437 9.313 0.541 1.00 63.11 H new ATOM 0 HD23 LEU A 60 -6.387 8.478 -0.711 1.00 63.11 H new ATOM 893 N ARG A 61 -9.688 10.380 2.973 1.00 63.44 N ATOM 894 CA ARG A 61 -10.683 10.999 3.841 1.00 34.32 C ATOM 895 C ARG A 61 -10.196 11.038 5.286 1.00 64.53 C ATOM 896 O ARG A 61 -10.357 12.042 5.980 1.00 23.21 O ATOM 897 CB ARG A 61 -12.007 10.236 3.758 1.00 24.01 C ATOM 898 CG ARG A 61 -13.142 10.903 4.519 1.00 30.33 C ATOM 899 CD ARG A 61 -14.091 9.875 5.115 1.00 65.33 C ATOM 900 NE ARG A 61 -13.478 9.139 6.218 1.00 62.53 N ATOM 901 CZ ARG A 61 -13.383 9.613 7.455 1.00 41.22 C ATOM 902 NH1 ARG A 61 -13.858 10.816 7.747 1.00 71.22 N ATOM 903 NH2 ARG A 61 -12.812 8.883 8.404 1.00 45.53 N ATOM 0 H ARG A 61 -9.986 9.502 2.548 1.00 63.44 H new ATOM 0 HA ARG A 61 -10.839 12.023 3.501 1.00 34.32 H new ATOM 0 HB2 ARG A 61 -12.293 10.134 2.711 1.00 24.01 H new ATOM 0 HB3 ARG A 61 -11.861 9.229 4.148 1.00 24.01 H new ATOM 0 HG2 ARG A 61 -12.732 11.526 5.314 1.00 30.33 H new ATOM 0 HG3 ARG A 61 -13.693 11.563 3.849 1.00 30.33 H new ATOM 0 HD2 ARG A 61 -14.992 10.376 5.470 1.00 65.33 H new ATOM 0 HD3 ARG A 61 -14.400 9.174 4.339 1.00 65.33 H new ATOM 0 HE ARG A 61 -13.102 8.210 6.028 1.00 62.53 H new ATOM 0 HH11 ARG A 61 -14.298 11.381 7.020 1.00 71.22 H new ATOM 0 HH12 ARG A 61 -13.783 11.177 8.698 1.00 71.22 H new ATOM 0 HH21 ARG A 61 -12.445 7.957 8.184 1.00 45.53 H new ATOM 0 HH22 ARG A 61 -12.739 9.248 9.354 1.00 45.53 H new ATOM 917 N LEU A 62 -9.600 9.938 5.734 1.00 63.23 N ATOM 918 CA LEU A 62 -9.089 9.846 7.097 1.00 62.42 C ATOM 919 C LEU A 62 -8.045 10.927 7.362 1.00 73.15 C ATOM 920 O LEU A 62 -8.123 11.651 8.355 1.00 34.44 O ATOM 921 CB LEU A 62 -8.484 8.463 7.343 1.00 43.42 C ATOM 922 CG LEU A 62 -8.631 7.908 8.761 1.00 42.43 C ATOM 923 CD1 LEU A 62 -8.129 8.915 9.784 1.00 1.52 C ATOM 924 CD2 LEU A 62 -10.081 7.541 9.041 1.00 73.34 C ATOM 0 H LEU A 62 -9.459 9.098 5.173 1.00 63.23 H new ATOM 0 HA LEU A 62 -9.923 9.998 7.783 1.00 62.42 H new ATOM 0 HB2 LEU A 62 -8.944 7.759 6.649 1.00 43.42 H new ATOM 0 HB3 LEU A 62 -7.423 8.504 7.099 1.00 43.42 H new ATOM 0 HG LEU A 62 -8.025 7.006 8.842 1.00 42.43 H new ATOM 0 HD11 LEU A 62 -8.242 8.502 10.787 1.00 1.52 H new ATOM 0 HD12 LEU A 62 -7.077 9.131 9.597 1.00 1.52 H new ATOM 0 HD13 LEU A 62 -8.708 9.835 9.703 1.00 1.52 H new ATOM 0 HD21 LEU A 62 -10.168 7.148 10.054 1.00 73.34 H new ATOM 0 HD22 LEU A 62 -10.707 8.428 8.941 1.00 73.34 H new ATOM 0 HD23 LEU A 62 -10.409 6.784 8.329 1.00 73.34 H new ATOM 936 N VAL A 63 -7.068 11.029 6.467 1.00 3.14 N ATOM 937 CA VAL A 63 -6.010 12.023 6.601 1.00 15.20 C ATOM 938 C VAL A 63 -6.585 13.432 6.683 1.00 71.34 C ATOM 939 O VAL A 63 -6.200 14.222 7.545 1.00 50.51 O ATOM 940 CB VAL A 63 -5.020 11.952 5.422 1.00 62.32 C ATOM 941 CG1 VAL A 63 -3.856 12.905 5.645 1.00 31.35 C ATOM 942 CG2 VAL A 63 -4.524 10.528 5.228 1.00 72.33 C ATOM 0 H VAL A 63 -6.987 10.436 5.641 1.00 3.14 H new ATOM 0 HA VAL A 63 -5.480 11.797 7.526 1.00 15.20 H new ATOM 0 HB VAL A 63 -5.540 12.258 4.514 1.00 62.32 H new ATOM 0 HG11 VAL A 63 -3.167 12.841 4.803 1.00 31.35 H new ATOM 0 HG12 VAL A 63 -4.232 13.925 5.730 1.00 31.35 H new ATOM 0 HG13 VAL A 63 -3.334 12.633 6.562 1.00 31.35 H new ATOM 0 HG21 VAL A 63 -3.826 10.497 4.391 1.00 72.33 H new ATOM 0 HG22 VAL A 63 -4.020 10.192 6.134 1.00 72.33 H new ATOM 0 HG23 VAL A 63 -5.370 9.873 5.019 1.00 72.33 H new ATOM 952 N ILE A 64 -7.511 13.739 5.782 1.00 21.54 N ATOM 953 CA ILE A 64 -8.142 15.053 5.753 1.00 62.11 C ATOM 954 C ILE A 64 -8.849 15.353 7.071 1.00 50.22 C ATOM 955 O ILE A 64 -8.920 16.505 7.501 1.00 23.40 O ATOM 956 CB ILE A 64 -9.159 15.165 4.602 1.00 32.40 C ATOM 957 CG1 ILE A 64 -8.467 14.938 3.256 1.00 43.34 C ATOM 958 CG2 ILE A 64 -9.844 16.524 4.629 1.00 74.03 C ATOM 959 CD1 ILE A 64 -9.385 14.382 2.191 1.00 61.02 C ATOM 0 H ILE A 64 -7.841 13.096 5.062 1.00 21.54 H new ATOM 0 HA ILE A 64 -7.346 15.781 5.596 1.00 62.11 H new ATOM 0 HB ILE A 64 -9.919 14.395 4.733 1.00 32.40 H new ATOM 0 HG12 ILE A 64 -8.050 15.883 2.907 1.00 43.34 H new ATOM 0 HG13 ILE A 64 -7.631 14.253 3.397 1.00 43.34 H new ATOM 0 HG21 ILE A 64 -10.560 16.587 3.809 1.00 74.03 H new ATOM 0 HG22 ILE A 64 -10.367 16.649 5.577 1.00 74.03 H new ATOM 0 HG23 ILE A 64 -9.097 17.310 4.520 1.00 74.03 H new ATOM 0 HD11 ILE A 64 -8.827 14.247 1.264 1.00 61.02 H new ATOM 0 HD12 ILE A 64 -9.783 13.422 2.519 1.00 61.02 H new ATOM 0 HD13 ILE A 64 -10.208 15.076 2.021 1.00 61.02 H new ATOM 971 N CYS A 65 -9.367 14.309 7.709 1.00 13.33 N ATOM 972 CA CYS A 65 -10.066 14.459 8.980 1.00 4.22 C ATOM 973 C CYS A 65 -9.105 14.894 10.081 1.00 40.14 C ATOM 974 O CYS A 65 -9.349 15.879 10.779 1.00 63.43 O ATOM 975 CB CYS A 65 -10.747 13.146 9.370 1.00 20.25 C ATOM 976 SG CYS A 65 -12.466 13.335 9.897 1.00 34.24 S ATOM 0 H CYS A 65 -9.316 13.350 7.367 1.00 13.33 H new ATOM 0 HA CYS A 65 -10.825 15.232 8.859 1.00 4.22 H new ATOM 0 HB2 CYS A 65 -10.711 12.464 8.520 1.00 20.25 H new ATOM 0 HB3 CYS A 65 -10.180 12.680 10.176 1.00 20.25 H new ATOM 0 HG CYS A 65 -12.891 12.215 10.402 1.00 34.24 H new ATOM 982 N ASP A 66 -8.013 14.153 10.233 1.00 44.21 N ATOM 983 CA ASP A 66 -7.016 14.462 11.251 1.00 52.43 C ATOM 984 C ASP A 66 -6.430 15.854 11.034 1.00 43.01 C ATOM 985 O ASP A 66 -6.275 16.628 11.979 1.00 43.24 O ATOM 986 CB ASP A 66 -5.898 13.417 11.233 1.00 30.02 C ATOM 987 CG ASP A 66 -6.427 12.006 11.068 1.00 21.31 C ATOM 988 OD1 ASP A 66 -7.229 11.569 11.920 1.00 21.34 O ATOM 989 OD2 ASP A 66 -6.041 11.339 10.085 1.00 41.21 O ATOM 0 H ASP A 66 -7.796 13.334 9.664 1.00 44.21 H new ATOM 0 HA ASP A 66 -7.508 14.442 12.224 1.00 52.43 H new ATOM 0 HB2 ASP A 66 -5.208 13.641 10.419 1.00 30.02 H new ATOM 0 HB3 ASP A 66 -5.329 13.482 12.160 1.00 30.02 H new ATOM 994 N LEU A 67 -6.107 16.166 9.784 1.00 20.31 N ATOM 995 CA LEU A 67 -5.538 17.465 9.443 1.00 71.33 C ATOM 996 C LEU A 67 -6.492 18.593 9.819 1.00 43.22 C ATOM 997 O LEU A 67 -6.064 19.657 10.268 1.00 54.21 O ATOM 998 CB LEU A 67 -5.221 17.528 7.947 1.00 42.45 C ATOM 999 CG LEU A 67 -3.781 17.890 7.581 1.00 4.42 C ATOM 1000 CD1 LEU A 67 -3.621 17.980 6.072 1.00 2.51 C ATOM 1001 CD2 LEU A 67 -3.377 19.200 8.241 1.00 44.22 C ATOM 0 H LEU A 67 -6.229 15.538 8.990 1.00 20.31 H new ATOM 0 HA LEU A 67 -4.615 17.590 10.010 1.00 71.33 H new ATOM 0 HB2 LEU A 67 -5.454 16.559 7.505 1.00 42.45 H new ATOM 0 HB3 LEU A 67 -5.886 18.257 7.485 1.00 42.45 H new ATOM 0 HG LEU A 67 -3.123 17.103 7.949 1.00 4.42 H new ATOM 0 HD11 LEU A 67 -2.590 18.239 5.830 1.00 2.51 H new ATOM 0 HD12 LEU A 67 -3.869 17.019 5.622 1.00 2.51 H new ATOM 0 HD13 LEU A 67 -4.289 18.747 5.680 1.00 2.51 H new ATOM 0 HD21 LEU A 67 -2.349 19.442 7.970 1.00 44.22 H new ATOM 0 HD22 LEU A 67 -4.039 19.997 7.903 1.00 44.22 H new ATOM 0 HD23 LEU A 67 -3.453 19.100 9.324 1.00 44.22 H new ATOM 1013 N GLN A 68 -7.786 18.353 9.636 1.00 61.41 N ATOM 1014 CA GLN A 68 -8.801 19.350 9.957 1.00 63.15 C ATOM 1015 C GLN A 68 -8.799 19.666 11.449 1.00 42.15 C ATOM 1016 O GLN A 68 -8.755 20.830 11.847 1.00 61.31 O ATOM 1017 CB GLN A 68 -10.184 18.856 9.531 1.00 64.43 C ATOM 1018 CG GLN A 68 -11.308 19.818 9.880 1.00 41.14 C ATOM 1019 CD GLN A 68 -12.129 19.350 11.066 1.00 43.22 C ATOM 1020 OE1 GLN A 68 -12.546 18.194 11.131 1.00 70.24 O ATOM 1021 NE2 GLN A 68 -12.366 20.250 12.015 1.00 4.41 N ATOM 0 H GLN A 68 -8.157 17.477 9.267 1.00 61.41 H new ATOM 0 HA GLN A 68 -8.564 20.262 9.410 1.00 63.15 H new ATOM 0 HB2 GLN A 68 -10.184 18.686 8.454 1.00 64.43 H new ATOM 0 HB3 GLN A 68 -10.379 17.895 10.006 1.00 64.43 H new ATOM 0 HG2 GLN A 68 -10.887 20.799 10.099 1.00 41.14 H new ATOM 0 HG3 GLN A 68 -11.961 19.937 9.015 1.00 41.14 H new ATOM 0 HE21 GLN A 68 -12.001 21.198 11.921 1.00 4.41 H new ATOM 0 HE22 GLN A 68 -12.912 19.993 12.837 1.00 4.41 H new ATOM 1030 N GLU A 69 -8.847 18.622 12.271 1.00 72.04 N ATOM 1031 CA GLU A 69 -8.852 18.789 13.720 1.00 3.24 C ATOM 1032 C GLU A 69 -7.655 19.620 14.175 1.00 4.21 C ATOM 1033 O GLU A 69 -7.789 20.517 15.007 1.00 23.24 O ATOM 1034 CB GLU A 69 -8.833 17.426 14.413 1.00 63.05 C ATOM 1035 CG GLU A 69 -9.947 17.246 15.432 1.00 2.43 C ATOM 1036 CD GLU A 69 -10.374 15.799 15.580 1.00 61.21 C ATOM 1037 OE1 GLU A 69 -11.254 15.359 14.810 1.00 54.42 O ATOM 1038 OE2 GLU A 69 -9.829 15.106 16.465 1.00 43.32 O ATOM 0 H GLU A 69 -8.883 17.652 11.958 1.00 72.04 H new ATOM 0 HA GLU A 69 -9.765 19.316 13.996 1.00 3.24 H new ATOM 0 HB2 GLU A 69 -8.912 16.643 13.659 1.00 63.05 H new ATOM 0 HB3 GLU A 69 -7.872 17.294 14.910 1.00 63.05 H new ATOM 0 HG2 GLU A 69 -9.614 17.623 16.399 1.00 2.43 H new ATOM 0 HG3 GLU A 69 -10.807 17.846 15.134 1.00 2.43 H new ATOM 1045 N ARG A 70 -6.485 19.313 13.624 1.00 20.21 N ATOM 1046 CA ARG A 70 -5.264 20.029 13.974 1.00 64.32 C ATOM 1047 C ARG A 70 -5.268 21.434 13.378 1.00 12.14 C ATOM 1048 O ARG A 70 -4.697 22.363 13.949 1.00 71.13 O ATOM 1049 CB ARG A 70 -4.038 19.259 13.483 1.00 43.42 C ATOM 1050 CG ARG A 70 -2.721 19.825 13.990 1.00 53.53 C ATOM 1051 CD ARG A 70 -1.808 18.726 14.516 1.00 23.34 C ATOM 1052 NE ARG A 70 -2.115 18.376 15.899 1.00 52.44 N ATOM 1053 CZ ARG A 70 -1.293 17.686 16.682 1.00 2.52 C ATOM 1054 NH1 ARG A 70 -0.121 17.276 16.219 1.00 52.13 N ATOM 1055 NH2 ARG A 70 -1.643 17.406 17.932 1.00 31.24 N ATOM 0 H ARG A 70 -6.357 18.573 12.933 1.00 20.21 H new ATOM 0 HA ARG A 70 -5.221 20.114 15.060 1.00 64.32 H new ATOM 0 HB2 ARG A 70 -4.122 18.219 13.798 1.00 43.42 H new ATOM 0 HB3 ARG A 70 -4.030 19.262 12.393 1.00 43.42 H new ATOM 0 HG2 ARG A 70 -2.220 20.361 13.184 1.00 53.53 H new ATOM 0 HG3 ARG A 70 -2.915 20.548 14.782 1.00 53.53 H new ATOM 0 HD2 ARG A 70 -1.907 17.841 13.888 1.00 23.34 H new ATOM 0 HD3 ARG A 70 -0.770 19.052 14.446 1.00 23.34 H new ATOM 0 HE ARG A 70 -3.009 18.678 16.286 1.00 52.44 H new ATOM 0 HH11 ARG A 70 0.152 17.490 15.260 1.00 52.13 H new ATOM 0 HH12 ARG A 70 0.509 16.746 16.822 1.00 52.13 H new ATOM 0 HH21 ARG A 70 -2.544 17.721 18.292 1.00 31.24 H new ATOM 0 HH22 ARG A 70 -1.011 16.876 18.532 1.00 31.24 H new ATOM 1069 N ARG A 71 -5.914 21.581 12.226 1.00 61.14 N ATOM 1070 CA ARG A 71 -5.991 22.871 11.551 1.00 44.41 C ATOM 1071 C ARG A 71 -6.708 23.898 12.422 1.00 63.43 C ATOM 1072 O ARG A 71 -6.330 25.068 12.457 1.00 23.10 O ATOM 1073 CB ARG A 71 -6.715 22.728 10.212 1.00 32.24 C ATOM 1074 CG ARG A 71 -7.031 24.057 9.546 1.00 31.44 C ATOM 1075 CD ARG A 71 -8.531 24.300 9.472 1.00 45.11 C ATOM 1076 NE ARG A 71 -9.169 23.478 8.449 1.00 35.43 N ATOM 1077 CZ ARG A 71 -9.081 23.726 7.146 1.00 10.02 C ATOM 1078 NH1 ARG A 71 -8.385 24.767 6.712 1.00 1.24 N ATOM 1079 NH2 ARG A 71 -9.690 22.931 6.276 1.00 34.33 N ATOM 0 H ARG A 71 -6.392 20.822 11.740 1.00 61.14 H new ATOM 0 HA ARG A 71 -4.974 23.219 11.370 1.00 44.41 H new ATOM 0 HB2 ARG A 71 -6.101 22.131 9.538 1.00 32.24 H new ATOM 0 HB3 ARG A 71 -7.644 22.179 10.368 1.00 32.24 H new ATOM 0 HG2 ARG A 71 -6.557 24.866 10.102 1.00 31.44 H new ATOM 0 HG3 ARG A 71 -6.609 24.071 8.541 1.00 31.44 H new ATOM 0 HD2 ARG A 71 -8.981 24.086 10.441 1.00 45.11 H new ATOM 0 HD3 ARG A 71 -8.718 25.353 9.259 1.00 45.11 H new ATOM 0 HE ARG A 71 -9.712 22.669 8.750 1.00 35.43 H new ATOM 0 HH11 ARG A 71 -7.915 25.380 7.378 1.00 1.24 H new ATOM 0 HH12 ARG A 71 -8.319 24.955 5.712 1.00 1.24 H new ATOM 0 HH21 ARG A 71 -10.226 22.129 6.607 1.00 34.33 H new ATOM 0 HH22 ARG A 71 -9.622 23.122 5.276 1.00 34.33 H new ATOM 1093 N GLU A 72 -7.745 23.450 13.124 1.00 21.03 N ATOM 1094 CA GLU A 72 -8.516 24.331 13.993 1.00 5.21 C ATOM 1095 C GLU A 72 -7.782 24.575 15.309 1.00 45.21 C ATOM 1096 O GLU A 72 -7.512 25.718 15.681 1.00 31.25 O ATOM 1097 CB GLU A 72 -9.897 23.732 14.270 1.00 52.52 C ATOM 1098 CG GLU A 72 -11.035 24.503 13.626 1.00 23.35 C ATOM 1099 CD GLU A 72 -12.197 24.728 14.574 1.00 25.52 C ATOM 1100 OE1 GLU A 72 -12.478 25.902 14.897 1.00 65.24 O ATOM 1101 OE2 GLU A 72 -12.824 23.733 14.991 1.00 64.45 O ATOM 0 H GLU A 72 -8.070 22.483 13.108 1.00 21.03 H new ATOM 0 HA GLU A 72 -8.639 25.286 13.482 1.00 5.21 H new ATOM 0 HB2 GLU A 72 -9.916 22.704 13.910 1.00 52.52 H new ATOM 0 HB3 GLU A 72 -10.058 23.695 15.347 1.00 52.52 H new ATOM 0 HG2 GLU A 72 -10.664 25.467 13.277 1.00 23.35 H new ATOM 0 HG3 GLU A 72 -11.386 23.960 12.749 1.00 23.35 H new ATOM 1108 N LYS A 73 -7.463 23.493 16.010 1.00 44.31 N ATOM 1109 CA LYS A 73 -6.759 23.587 17.285 1.00 24.32 C ATOM 1110 C LYS A 73 -5.488 24.420 17.145 1.00 34.41 C ATOM 1111 O LYS A 73 -5.045 25.058 18.099 1.00 11.51 O ATOM 1112 CB LYS A 73 -6.412 22.190 17.803 1.00 20.11 C ATOM 1113 CG LYS A 73 -6.314 22.110 19.317 1.00 4.20 C ATOM 1114 CD LYS A 73 -5.667 20.811 19.766 1.00 14.43 C ATOM 1115 CE LYS A 73 -6.704 19.809 20.248 1.00 63.44 C ATOM 1116 NZ LYS A 73 -7.093 20.052 21.665 1.00 70.23 N ATOM 0 H LYS A 73 -7.680 22.540 15.718 1.00 44.31 H new ATOM 0 HA LYS A 73 -7.418 24.080 18.000 1.00 24.32 H new ATOM 0 HB2 LYS A 73 -7.169 21.485 17.458 1.00 20.11 H new ATOM 0 HB3 LYS A 73 -5.463 21.876 17.369 1.00 20.11 H new ATOM 0 HG2 LYS A 73 -5.734 22.954 19.690 1.00 4.20 H new ATOM 0 HG3 LYS A 73 -7.310 22.191 19.752 1.00 4.20 H new ATOM 0 HD2 LYS A 73 -5.101 20.381 18.940 1.00 14.43 H new ATOM 0 HD3 LYS A 73 -4.957 21.015 20.567 1.00 14.43 H new ATOM 0 HE2 LYS A 73 -7.588 19.868 19.613 1.00 63.44 H new ATOM 0 HE3 LYS A 73 -6.307 18.799 20.148 1.00 63.44 H new ATOM 0 HZ1 LYS A 73 -7.801 19.348 21.956 1.00 70.23 H new ATOM 0 HZ2 LYS A 73 -6.254 19.971 22.274 1.00 70.23 H new ATOM 0 HZ3 LYS A 73 -7.496 21.007 21.756 1.00 70.23 H new ATOM 1130 N PHE A 74 -4.907 24.408 15.950 1.00 23.43 N ATOM 1131 CA PHE A 74 -3.688 25.162 15.685 1.00 55.32 C ATOM 1132 C PHE A 74 -4.011 26.519 15.068 1.00 20.23 C ATOM 1133 O PHE A 74 -3.231 27.465 15.176 1.00 62.04 O ATOM 1134 CB PHE A 74 -2.766 24.371 14.754 1.00 62.40 C ATOM 1135 CG PHE A 74 -1.388 24.958 14.635 1.00 32.20 C ATOM 1136 CD1 PHE A 74 -1.028 25.693 13.518 1.00 23.32 C ATOM 1137 CD2 PHE A 74 -0.453 24.771 15.640 1.00 21.13 C ATOM 1138 CE1 PHE A 74 0.239 26.234 13.405 1.00 64.02 C ATOM 1139 CE2 PHE A 74 0.815 25.310 15.533 1.00 10.41 C ATOM 1140 CZ PHE A 74 1.161 26.042 14.414 1.00 52.31 C ATOM 0 H PHE A 74 -5.261 23.884 15.150 1.00 23.43 H new ATOM 0 HA PHE A 74 -3.179 25.327 16.635 1.00 55.32 H new ATOM 0 HB2 PHE A 74 -2.686 23.347 15.119 1.00 62.40 H new ATOM 0 HB3 PHE A 74 -3.218 24.322 13.763 1.00 62.40 H new ATOM 0 HD1 PHE A 74 -1.746 25.845 12.726 1.00 23.32 H new ATOM 0 HD2 PHE A 74 -0.718 24.198 16.516 1.00 21.13 H new ATOM 0 HE1 PHE A 74 0.507 26.806 12.529 1.00 64.02 H new ATOM 0 HE2 PHE A 74 1.535 25.159 16.324 1.00 10.41 H new ATOM 0 HZ PHE A 74 2.152 26.464 14.329 1.00 52.31 H new ATOM 1150 N GLY A 75 -5.167 26.607 14.417 1.00 30.24 N ATOM 1151 CA GLY A 75 -5.573 27.851 13.791 1.00 22.22 C ATOM 1152 C GLY A 75 -5.349 27.846 12.291 1.00 43.10 C ATOM 1153 O GLY A 75 -4.686 26.956 11.760 1.00 31.44 O ATOM 0 H GLY A 75 -5.829 25.839 14.312 1.00 30.24 H new ATOM 0 HA2 GLY A 75 -6.628 28.030 13.997 1.00 22.22 H new ATOM 0 HA3 GLY A 75 -5.017 28.676 14.236 1.00 22.22 H new ATOM 1157 N SER A 76 -5.904 28.842 11.608 1.00 12.43 N ATOM 1158 CA SER A 76 -5.765 28.947 10.160 1.00 53.11 C ATOM 1159 C SER A 76 -4.366 29.421 9.782 1.00 35.04 C ATOM 1160 O SER A 76 -3.851 30.385 10.346 1.00 43.22 O ATOM 1161 CB SER A 76 -6.813 29.907 9.594 1.00 4.35 C ATOM 1162 OG SER A 76 -7.456 30.628 10.631 1.00 31.35 O ATOM 0 H SER A 76 -6.454 29.588 12.034 1.00 12.43 H new ATOM 0 HA SER A 76 -5.922 27.957 9.732 1.00 53.11 H new ATOM 0 HB2 SER A 76 -6.338 30.603 8.903 1.00 4.35 H new ATOM 0 HB3 SER A 76 -7.553 29.347 9.023 1.00 4.35 H new ATOM 0 HG SER A 76 -8.079 30.037 11.103 1.00 31.35 H new ATOM 1168 N SER A 77 -3.755 28.735 8.820 1.00 23.11 N ATOM 1169 CA SER A 77 -2.414 29.083 8.366 1.00 41.22 C ATOM 1170 C SER A 77 -2.210 28.678 6.909 1.00 62.52 C ATOM 1171 O SER A 77 -2.815 27.720 6.429 1.00 21.52 O ATOM 1172 CB SER A 77 -1.363 28.405 9.247 1.00 51.50 C ATOM 1173 OG SER A 77 -0.390 27.740 8.460 1.00 14.41 O ATOM 0 H SER A 77 -4.168 27.935 8.340 1.00 23.11 H new ATOM 0 HA SER A 77 -2.301 30.164 8.443 1.00 41.22 H new ATOM 0 HB2 SER A 77 -0.878 29.150 9.878 1.00 51.50 H new ATOM 0 HB3 SER A 77 -1.848 27.690 9.912 1.00 51.50 H new ATOM 0 HG SER A 77 0.441 28.260 8.459 1.00 14.41 H new ATOM 1179 N LYS A 78 -1.354 29.416 6.211 1.00 34.42 N ATOM 1180 CA LYS A 78 -1.068 29.136 4.809 1.00 72.45 C ATOM 1181 C LYS A 78 -0.455 27.749 4.645 1.00 41.43 C ATOM 1182 O LYS A 78 -0.645 27.093 3.622 1.00 24.05 O ATOM 1183 CB LYS A 78 -0.122 30.194 4.238 1.00 41.43 C ATOM 1184 CG LYS A 78 -0.634 30.847 2.967 1.00 10.40 C ATOM 1185 CD LYS A 78 -0.159 30.104 1.729 1.00 23.34 C ATOM 1186 CE LYS A 78 -0.368 30.931 0.469 1.00 71.25 C ATOM 1187 NZ LYS A 78 -1.755 30.800 -0.057 1.00 2.52 N ATOM 0 H LYS A 78 -0.846 30.213 6.594 1.00 34.42 H new ATOM 0 HA LYS A 78 -2.009 29.165 4.260 1.00 72.45 H new ATOM 0 HB2 LYS A 78 0.044 30.965 4.991 1.00 41.43 H new ATOM 0 HB3 LYS A 78 0.845 29.733 4.035 1.00 41.43 H new ATOM 0 HG2 LYS A 78 -1.724 30.871 2.983 1.00 10.40 H new ATOM 0 HG3 LYS A 78 -0.293 31.881 2.925 1.00 10.40 H new ATOM 0 HD2 LYS A 78 0.898 29.859 1.834 1.00 23.34 H new ATOM 0 HD3 LYS A 78 -0.698 29.161 1.640 1.00 23.34 H new ATOM 0 HE2 LYS A 78 -0.159 31.979 0.684 1.00 71.25 H new ATOM 0 HE3 LYS A 78 0.342 30.614 -0.295 1.00 71.25 H new ATOM 0 HZ1 LYS A 78 -1.857 31.378 -0.915 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 -1.947 29.804 -0.286 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 -2.431 31.126 0.662 1.00 2.52 H new ATOM 1201 N GLU A 79 0.280 27.308 5.661 1.00 44.33 N ATOM 1202 CA GLU A 79 0.920 25.999 5.630 1.00 55.31 C ATOM 1203 C GLU A 79 -0.103 24.888 5.847 1.00 74.22 C ATOM 1204 O GLU A 79 -0.176 23.936 5.069 1.00 43.25 O ATOM 1205 CB GLU A 79 2.015 25.915 6.695 1.00 51.45 C ATOM 1206 CG GLU A 79 2.945 27.116 6.709 1.00 62.01 C ATOM 1207 CD GLU A 79 4.084 26.962 7.698 1.00 62.31 C ATOM 1208 OE1 GLU A 79 4.908 26.042 7.514 1.00 22.32 O ATOM 1209 OE2 GLU A 79 4.151 27.760 8.656 1.00 20.25 O ATOM 0 H GLU A 79 0.447 27.839 6.516 1.00 44.33 H new ATOM 0 HA GLU A 79 1.371 25.867 4.646 1.00 55.31 H new ATOM 0 HB2 GLU A 79 1.549 25.815 7.675 1.00 51.45 H new ATOM 0 HB3 GLU A 79 2.603 25.013 6.528 1.00 51.45 H new ATOM 0 HG2 GLU A 79 3.354 27.265 5.710 1.00 62.01 H new ATOM 0 HG3 GLU A 79 2.373 28.010 6.956 1.00 62.01 H new ATOM 1216 N ILE A 80 -0.890 25.016 6.910 1.00 54.10 N ATOM 1217 CA ILE A 80 -1.909 24.023 7.230 1.00 43.21 C ATOM 1218 C ILE A 80 -3.003 23.998 6.169 1.00 14.11 C ATOM 1219 O ILE A 80 -3.607 22.957 5.911 1.00 32.41 O ATOM 1220 CB ILE A 80 -2.548 24.296 8.604 1.00 4.12 C ATOM 1221 CG1 ILE A 80 -3.419 23.112 9.029 1.00 62.11 C ATOM 1222 CG2 ILE A 80 -3.368 25.577 8.561 1.00 65.34 C ATOM 1223 CD1 ILE A 80 -2.834 22.311 10.171 1.00 54.31 C ATOM 0 H ILE A 80 -0.842 25.797 7.564 1.00 54.10 H new ATOM 0 HA ILE A 80 -1.410 23.054 7.257 1.00 43.21 H new ATOM 0 HB ILE A 80 -1.754 24.421 9.340 1.00 4.12 H new ATOM 0 HG12 ILE A 80 -4.402 23.481 9.321 1.00 62.11 H new ATOM 0 HG13 ILE A 80 -3.567 22.454 8.173 1.00 62.11 H new ATOM 0 HG21 ILE A 80 -3.814 25.757 9.539 1.00 65.34 H new ATOM 0 HG22 ILE A 80 -2.722 26.414 8.297 1.00 65.34 H new ATOM 0 HG23 ILE A 80 -4.157 25.479 7.815 1.00 65.34 H new ATOM 0 HD11 ILE A 80 -3.504 21.488 10.419 1.00 54.31 H new ATOM 0 HD12 ILE A 80 -1.863 21.912 9.876 1.00 54.31 H new ATOM 0 HD13 ILE A 80 -2.712 22.955 11.042 1.00 54.31 H new ATOM 1235 N ASP A 81 -3.251 25.149 5.555 1.00 21.00 N ATOM 1236 CA ASP A 81 -4.272 25.259 4.518 1.00 53.34 C ATOM 1237 C ASP A 81 -3.847 24.511 3.258 1.00 24.21 C ATOM 1238 O ASP A 81 -4.604 23.702 2.721 1.00 53.35 O ATOM 1239 CB ASP A 81 -4.539 26.729 4.189 1.00 34.04 C ATOM 1240 CG ASP A 81 -5.489 27.379 5.176 1.00 13.54 C ATOM 1241 OD1 ASP A 81 -5.864 26.715 6.164 1.00 21.43 O ATOM 1242 OD2 ASP A 81 -5.855 28.553 4.959 1.00 31.23 O ATOM 0 H ASP A 81 -2.759 26.020 5.757 1.00 21.00 H new ATOM 0 HA ASP A 81 -5.190 24.808 4.895 1.00 53.34 H new ATOM 0 HB2 ASP A 81 -3.595 27.275 4.184 1.00 34.04 H new ATOM 0 HB3 ASP A 81 -4.956 26.804 3.185 1.00 34.04 H new ATOM 1247 N MET A 82 -2.635 24.790 2.790 1.00 11.03 N ATOM 1248 CA MET A 82 -2.111 24.143 1.592 1.00 71.02 C ATOM 1249 C MET A 82 -2.100 22.626 1.754 1.00 3.24 C ATOM 1250 O MET A 82 -2.488 21.893 0.845 1.00 71.41 O ATOM 1251 CB MET A 82 -0.698 24.647 1.292 1.00 75.12 C ATOM 1252 CG MET A 82 -0.665 26.039 0.686 1.00 10.21 C ATOM 1253 SD MET A 82 -0.175 26.031 -1.049 1.00 34.12 S ATOM 1254 CE MET A 82 -1.629 25.309 -1.808 1.00 5.44 C ATOM 0 H MET A 82 -1.997 25.459 3.221 1.00 11.03 H new ATOM 0 HA MET A 82 -2.764 24.396 0.757 1.00 71.02 H new ATOM 0 HB2 MET A 82 -0.118 24.648 2.215 1.00 75.12 H new ATOM 0 HB3 MET A 82 -0.210 23.951 0.609 1.00 75.12 H new ATOM 0 HG2 MET A 82 -1.651 26.495 0.779 1.00 10.21 H new ATOM 0 HG3 MET A 82 0.028 26.661 1.252 1.00 10.21 H new ATOM 0 HE1 MET A 82 -1.480 25.237 -2.885 1.00 5.44 H new ATOM 0 HE2 MET A 82 -1.797 24.313 -1.398 1.00 5.44 H new ATOM 0 HE3 MET A 82 -2.496 25.937 -1.603 1.00 5.44 H new ATOM 1264 N ALA A 83 -1.652 22.163 2.917 1.00 70.43 N ATOM 1265 CA ALA A 83 -1.593 20.734 3.197 1.00 61.13 C ATOM 1266 C ALA A 83 -2.970 20.092 3.072 1.00 64.42 C ATOM 1267 O ALA A 83 -3.133 19.077 2.394 1.00 23.05 O ATOM 1268 CB ALA A 83 -1.020 20.492 4.585 1.00 44.22 C ATOM 0 H ALA A 83 -1.325 22.757 3.679 1.00 70.43 H new ATOM 0 HA ALA A 83 -0.938 20.271 2.459 1.00 61.13 H new ATOM 0 HB1 ALA A 83 -0.982 19.420 4.781 1.00 44.22 H new ATOM 0 HB2 ALA A 83 -0.014 20.907 4.641 1.00 44.22 H new ATOM 0 HB3 ALA A 83 -1.653 20.975 5.329 1.00 44.22 H new ATOM 1274 N ILE A 84 -3.958 20.689 3.732 1.00 14.13 N ATOM 1275 CA ILE A 84 -5.321 20.174 3.694 1.00 23.54 C ATOM 1276 C ILE A 84 -5.882 20.208 2.276 1.00 33.01 C ATOM 1277 O ILE A 84 -6.333 19.190 1.750 1.00 54.33 O ATOM 1278 CB ILE A 84 -6.252 20.977 4.621 1.00 14.32 C ATOM 1279 CG1 ILE A 84 -5.750 20.910 6.065 1.00 65.00 C ATOM 1280 CG2 ILE A 84 -7.677 20.452 4.525 1.00 3.41 C ATOM 1281 CD1 ILE A 84 -6.231 22.058 6.926 1.00 73.40 C ATOM 0 H ILE A 84 -3.840 21.529 4.299 1.00 14.13 H new ATOM 0 HA ILE A 84 -5.278 19.142 4.041 1.00 23.54 H new ATOM 0 HB ILE A 84 -6.248 22.019 4.302 1.00 14.32 H new ATOM 0 HG12 ILE A 84 -6.076 19.970 6.511 1.00 65.00 H new ATOM 0 HG13 ILE A 84 -4.660 20.900 6.062 1.00 65.00 H new ATOM 0 HG21 ILE A 84 -8.323 21.030 5.186 1.00 3.41 H new ATOM 0 HG22 ILE A 84 -8.031 20.546 3.498 1.00 3.41 H new ATOM 0 HG23 ILE A 84 -7.699 19.403 4.822 1.00 3.41 H new ATOM 0 HD11 ILE A 84 -5.837 21.945 7.936 1.00 73.40 H new ATOM 0 HD12 ILE A 84 -5.883 23.000 6.503 1.00 73.40 H new ATOM 0 HD13 ILE A 84 -7.320 22.056 6.960 1.00 73.40 H new ATOM 1293 N VAL A 85 -5.850 21.386 1.660 1.00 51.14 N ATOM 1294 CA VAL A 85 -6.352 21.553 0.302 1.00 13.31 C ATOM 1295 C VAL A 85 -5.735 20.527 -0.642 1.00 32.10 C ATOM 1296 O VAL A 85 -6.350 20.126 -1.631 1.00 11.50 O ATOM 1297 CB VAL A 85 -6.062 22.967 -0.235 1.00 41.35 C ATOM 1298 CG1 VAL A 85 -6.575 23.114 -1.658 1.00 23.25 C ATOM 1299 CG2 VAL A 85 -6.678 24.018 0.676 1.00 11.04 C ATOM 0 H VAL A 85 -5.481 22.239 2.081 1.00 51.14 H new ATOM 0 HA VAL A 85 -7.431 21.403 0.343 1.00 13.31 H new ATOM 0 HB VAL A 85 -4.983 23.118 -0.248 1.00 41.35 H new ATOM 0 HG11 VAL A 85 -6.361 24.120 -2.020 1.00 23.25 H new ATOM 0 HG12 VAL A 85 -6.081 22.384 -2.300 1.00 23.25 H new ATOM 0 HG13 VAL A 85 -7.651 22.943 -1.676 1.00 23.25 H new ATOM 0 HG21 VAL A 85 -6.464 25.012 0.282 1.00 11.04 H new ATOM 0 HG22 VAL A 85 -7.757 23.871 0.723 1.00 11.04 H new ATOM 0 HG23 VAL A 85 -6.255 23.925 1.676 1.00 11.04 H new ATOM 1309 N THR A 86 -4.513 20.103 -0.331 1.00 64.34 N ATOM 1310 CA THR A 86 -3.811 19.124 -1.150 1.00 73.43 C ATOM 1311 C THR A 86 -4.443 17.742 -1.019 1.00 23.11 C ATOM 1312 O THR A 86 -4.814 17.121 -2.016 1.00 64.31 O ATOM 1313 CB THR A 86 -2.323 19.033 -0.767 1.00 10.31 C ATOM 1314 OG1 THR A 86 -1.674 20.284 -1.022 1.00 14.04 O ATOM 1315 CG2 THR A 86 -1.629 17.927 -1.547 1.00 5.15 C ATOM 0 H THR A 86 -3.989 20.424 0.484 1.00 64.34 H new ATOM 0 HA THR A 86 -3.892 19.462 -2.183 1.00 73.43 H new ATOM 0 HB THR A 86 -2.258 18.801 0.296 1.00 10.31 H new ATOM 0 HG1 THR A 86 -2.084 20.983 -0.472 1.00 14.04 H new ATOM 0 HG21 THR A 86 -0.579 17.883 -1.259 1.00 5.15 H new ATOM 0 HG22 THR A 86 -2.106 16.972 -1.327 1.00 5.15 H new ATOM 0 HG23 THR A 86 -1.704 18.133 -2.615 1.00 5.15 H new ATOM 1323 N LEU A 87 -4.564 17.267 0.216 1.00 3.13 N ATOM 1324 CA LEU A 87 -5.152 15.958 0.478 1.00 23.41 C ATOM 1325 C LEU A 87 -6.533 15.844 -0.161 1.00 61.21 C ATOM 1326 O LEU A 87 -6.953 14.760 -0.567 1.00 25.41 O ATOM 1327 CB LEU A 87 -5.253 15.716 1.985 1.00 14.41 C ATOM 1328 CG LEU A 87 -4.047 15.039 2.637 1.00 62.31 C ATOM 1329 CD1 LEU A 87 -3.965 13.577 2.223 1.00 65.42 C ATOM 1330 CD2 LEU A 87 -2.763 15.771 2.274 1.00 14.12 C ATOM 0 H LEU A 87 -4.263 17.769 1.051 1.00 3.13 H new ATOM 0 HA LEU A 87 -4.504 15.200 0.037 1.00 23.41 H new ATOM 0 HB2 LEU A 87 -5.416 16.675 2.477 1.00 14.41 H new ATOM 0 HB3 LEU A 87 -6.135 15.105 2.177 1.00 14.41 H new ATOM 0 HG LEU A 87 -4.173 15.082 3.719 1.00 62.31 H new ATOM 0 HD11 LEU A 87 -3.100 13.113 2.697 1.00 65.42 H new ATOM 0 HD12 LEU A 87 -4.872 13.059 2.535 1.00 65.42 H new ATOM 0 HD13 LEU A 87 -3.864 13.511 1.140 1.00 65.42 H new ATOM 0 HD21 LEU A 87 -1.915 15.275 2.747 1.00 14.12 H new ATOM 0 HD22 LEU A 87 -2.632 15.761 1.192 1.00 14.12 H new ATOM 0 HD23 LEU A 87 -2.821 16.802 2.623 1.00 14.12 H new ATOM 1342 N LYS A 88 -7.234 16.970 -0.248 1.00 1.24 N ATOM 1343 CA LYS A 88 -8.566 16.999 -0.840 1.00 74.01 C ATOM 1344 C LYS A 88 -8.485 16.935 -2.363 1.00 63.14 C ATOM 1345 O LYS A 88 -8.898 15.950 -2.975 1.00 4.33 O ATOM 1346 CB LYS A 88 -9.310 18.264 -0.410 1.00 24.51 C ATOM 1347 CG LYS A 88 -10.202 18.063 0.803 1.00 33.33 C ATOM 1348 CD LYS A 88 -9.867 19.047 1.911 1.00 54.42 C ATOM 1349 CE LYS A 88 -11.035 19.227 2.868 1.00 42.42 C ATOM 1350 NZ LYS A 88 -10.713 20.187 3.961 1.00 11.03 N ATOM 0 H LYS A 88 -6.901 17.875 0.084 1.00 1.24 H new ATOM 0 HA LYS A 88 -9.114 16.126 -0.486 1.00 74.01 H new ATOM 0 HB2 LYS A 88 -8.583 19.046 -0.190 1.00 24.51 H new ATOM 0 HB3 LYS A 88 -9.918 18.619 -1.243 1.00 24.51 H new ATOM 0 HG2 LYS A 88 -11.246 18.183 0.512 1.00 33.33 H new ATOM 0 HG3 LYS A 88 -10.089 17.044 1.174 1.00 33.33 H new ATOM 0 HD2 LYS A 88 -8.995 18.694 2.462 1.00 54.42 H new ATOM 0 HD3 LYS A 88 -9.600 20.010 1.476 1.00 54.42 H new ATOM 0 HE2 LYS A 88 -11.905 19.583 2.316 1.00 42.42 H new ATOM 0 HE3 LYS A 88 -11.304 18.263 3.299 1.00 42.42 H new ATOM 0 HZ1 LYS A 88 -11.589 20.632 4.302 1.00 11.03 H new ATOM 0 HZ2 LYS A 88 -10.255 19.680 4.745 1.00 11.03 H new ATOM 0 HZ3 LYS A 88 -10.070 20.920 3.601 1.00 11.03 H new ATOM 1364 N VAL A 89 -7.952 17.992 -2.966 1.00 32.24 N ATOM 1365 CA VAL A 89 -7.816 18.055 -4.417 1.00 4.35 C ATOM 1366 C VAL A 89 -7.141 16.801 -4.961 1.00 31.11 C ATOM 1367 O VAL A 89 -7.425 16.364 -6.076 1.00 3.23 O ATOM 1368 CB VAL A 89 -7.005 19.290 -4.851 1.00 11.12 C ATOM 1369 CG1 VAL A 89 -5.564 19.177 -4.376 1.00 5.04 C ATOM 1370 CG2 VAL A 89 -7.064 19.462 -6.362 1.00 22.51 C ATOM 0 H VAL A 89 -7.607 18.816 -2.473 1.00 32.24 H new ATOM 0 HA VAL A 89 -8.824 18.128 -4.826 1.00 4.35 H new ATOM 0 HB VAL A 89 -7.447 20.173 -4.390 1.00 11.12 H new ATOM 0 HG11 VAL A 89 -5.007 20.059 -4.692 1.00 5.04 H new ATOM 0 HG12 VAL A 89 -5.544 19.106 -3.289 1.00 5.04 H new ATOM 0 HG13 VAL A 89 -5.108 18.286 -4.807 1.00 5.04 H new ATOM 0 HG21 VAL A 89 -6.486 20.339 -6.651 1.00 22.51 H new ATOM 0 HG22 VAL A 89 -6.648 18.578 -6.845 1.00 22.51 H new ATOM 0 HG23 VAL A 89 -8.101 19.592 -6.673 1.00 22.51 H new ATOM 1380 N PHE A 90 -6.246 16.225 -4.165 1.00 23.22 N ATOM 1381 CA PHE A 90 -5.530 15.020 -4.567 1.00 44.40 C ATOM 1382 C PHE A 90 -6.463 13.812 -4.582 1.00 43.55 C ATOM 1383 O PHE A 90 -6.556 13.100 -5.581 1.00 63.43 O ATOM 1384 CB PHE A 90 -4.356 14.760 -3.620 1.00 0.21 C ATOM 1385 CG PHE A 90 -3.650 13.461 -3.883 1.00 15.30 C ATOM 1386 CD1 PHE A 90 -3.608 12.471 -2.915 1.00 11.15 C ATOM 1387 CD2 PHE A 90 -3.028 13.230 -5.100 1.00 11.41 C ATOM 1388 CE1 PHE A 90 -2.959 11.274 -3.154 1.00 33.43 C ATOM 1389 CE2 PHE A 90 -2.377 12.035 -5.345 1.00 61.10 C ATOM 1390 CZ PHE A 90 -2.342 11.056 -4.371 1.00 4.31 C ATOM 0 H PHE A 90 -5.999 16.573 -3.238 1.00 23.22 H new ATOM 0 HA PHE A 90 -5.148 15.174 -5.576 1.00 44.40 H new ATOM 0 HB2 PHE A 90 -3.640 15.578 -3.708 1.00 0.21 H new ATOM 0 HB3 PHE A 90 -4.720 14.765 -2.593 1.00 0.21 H new ATOM 0 HD1 PHE A 90 -4.088 12.636 -1.962 1.00 11.15 H new ATOM 0 HD2 PHE A 90 -3.052 13.992 -5.865 1.00 11.41 H new ATOM 0 HE1 PHE A 90 -2.934 10.510 -2.391 1.00 33.43 H new ATOM 0 HE2 PHE A 90 -1.896 11.867 -6.297 1.00 61.10 H new ATOM 0 HZ PHE A 90 -1.833 10.122 -4.560 1.00 4.31 H new ATOM 1400 N ALA A 91 -7.149 13.589 -3.466 1.00 31.22 N ATOM 1401 CA ALA A 91 -8.076 12.470 -3.351 1.00 55.23 C ATOM 1402 C ALA A 91 -9.053 12.443 -4.521 1.00 15.25 C ATOM 1403 O ALA A 91 -9.423 11.375 -5.011 1.00 23.21 O ATOM 1404 CB ALA A 91 -8.830 12.542 -2.032 1.00 34.53 C ATOM 0 H ALA A 91 -7.080 14.168 -2.629 1.00 31.22 H new ATOM 0 HA ALA A 91 -7.497 11.547 -3.375 1.00 55.23 H new ATOM 0 HB1 ALA A 91 -9.519 11.700 -1.960 1.00 34.53 H new ATOM 0 HB2 ALA A 91 -8.121 12.503 -1.205 1.00 34.53 H new ATOM 0 HB3 ALA A 91 -9.392 13.475 -1.984 1.00 34.53 H new ATOM 1410 N VAL A 92 -9.469 13.624 -4.966 1.00 11.40 N ATOM 1411 CA VAL A 92 -10.404 13.737 -6.080 1.00 51.33 C ATOM 1412 C VAL A 92 -9.677 13.650 -7.418 1.00 63.21 C ATOM 1413 O VAL A 92 -10.194 13.084 -8.381 1.00 60.04 O ATOM 1414 CB VAL A 92 -11.191 15.059 -6.021 1.00 4.02 C ATOM 1415 CG1 VAL A 92 -12.134 15.173 -7.209 1.00 3.04 C ATOM 1416 CG2 VAL A 92 -11.957 15.164 -4.710 1.00 25.23 C ATOM 0 H VAL A 92 -9.173 14.517 -4.572 1.00 11.40 H new ATOM 0 HA VAL A 92 -11.102 12.904 -5.993 1.00 51.33 H new ATOM 0 HB VAL A 92 -10.483 15.886 -6.070 1.00 4.02 H new ATOM 0 HG11 VAL A 92 -12.682 16.114 -7.150 1.00 3.04 H new ATOM 0 HG12 VAL A 92 -11.559 15.146 -8.134 1.00 3.04 H new ATOM 0 HG13 VAL A 92 -12.839 14.342 -7.195 1.00 3.04 H new ATOM 0 HG21 VAL A 92 -12.508 16.104 -4.685 1.00 25.23 H new ATOM 0 HG22 VAL A 92 -12.656 14.332 -4.629 1.00 25.23 H new ATOM 0 HG23 VAL A 92 -11.256 15.131 -3.876 1.00 25.23 H new ATOM 1426 N ALA A 93 -8.476 14.214 -7.470 1.00 45.52 N ATOM 1427 CA ALA A 93 -7.676 14.198 -8.689 1.00 34.31 C ATOM 1428 C ALA A 93 -7.037 12.831 -8.909 1.00 5.11 C ATOM 1429 O ALA A 93 -6.373 12.601 -9.918 1.00 11.51 O ATOM 1430 CB ALA A 93 -6.608 15.280 -8.634 1.00 61.25 C ATOM 0 H ALA A 93 -8.035 14.688 -6.682 1.00 45.52 H new ATOM 0 HA ALA A 93 -8.338 14.400 -9.531 1.00 34.31 H new ATOM 0 HB1 ALA A 93 -6.018 15.256 -9.551 1.00 61.25 H new ATOM 0 HB2 ALA A 93 -7.083 16.256 -8.534 1.00 61.25 H new ATOM 0 HB3 ALA A 93 -5.956 15.104 -7.778 1.00 61.25 H new ATOM 1436 N GLY A 94 -7.243 11.927 -7.956 1.00 73.21 N ATOM 1437 CA GLY A 94 -6.679 10.594 -8.065 1.00 0.12 C ATOM 1438 C GLY A 94 -7.742 9.513 -8.060 1.00 72.11 C ATOM 1439 O GLY A 94 -7.945 8.828 -9.063 1.00 75.41 O ATOM 0 H GLY A 94 -7.790 12.094 -7.111 1.00 73.21 H new ATOM 0 HA2 GLY A 94 -6.097 10.523 -8.984 1.00 0.12 H new ATOM 0 HA3 GLY A 94 -5.990 10.426 -7.238 1.00 0.12 H new ATOM 1443 N LEU A 95 -8.419 9.357 -6.928 1.00 62.32 N ATOM 1444 CA LEU A 95 -9.466 8.350 -6.796 1.00 21.33 C ATOM 1445 C LEU A 95 -10.649 8.671 -7.705 1.00 72.12 C ATOM 1446 O LEU A 95 -11.283 7.770 -8.258 1.00 43.44 O ATOM 1447 CB LEU A 95 -9.935 8.261 -5.343 1.00 71.24 C ATOM 1448 CG LEU A 95 -8.914 7.723 -4.340 1.00 50.33 C ATOM 1449 CD1 LEU A 95 -8.215 6.493 -4.897 1.00 3.43 C ATOM 1450 CD2 LEU A 95 -7.900 8.800 -3.982 1.00 74.21 C ATOM 0 H LEU A 95 -8.262 9.915 -6.089 1.00 62.32 H new ATOM 0 HA LEU A 95 -9.050 7.388 -7.097 1.00 21.33 H new ATOM 0 HB2 LEU A 95 -10.243 9.256 -5.020 1.00 71.24 H new ATOM 0 HB3 LEU A 95 -10.820 7.626 -5.306 1.00 71.24 H new ATOM 0 HG LEU A 95 -9.443 7.434 -3.432 1.00 50.33 H new ATOM 0 HD11 LEU A 95 -7.492 6.124 -4.169 1.00 3.43 H new ATOM 0 HD12 LEU A 95 -8.952 5.717 -5.101 1.00 3.43 H new ATOM 0 HD13 LEU A 95 -7.699 6.755 -5.821 1.00 3.43 H new ATOM 0 HD21 LEU A 95 -7.181 8.400 -3.267 1.00 74.21 H new ATOM 0 HD22 LEU A 95 -7.376 9.120 -4.883 1.00 74.21 H new ATOM 0 HD23 LEU A 95 -8.415 9.652 -3.539 1.00 74.21 H new ATOM 1462 N LEU A 96 -10.940 9.958 -7.857 1.00 54.34 N ATOM 1463 CA LEU A 96 -12.045 10.398 -8.701 1.00 11.34 C ATOM 1464 C LEU A 96 -11.568 10.668 -10.124 1.00 23.34 C ATOM 1465 O LEU A 96 -12.350 11.071 -10.985 1.00 53.52 O ATOM 1466 CB LEU A 96 -12.687 11.659 -8.118 1.00 14.43 C ATOM 1467 CG LEU A 96 -14.214 11.661 -8.043 1.00 54.31 C ATOM 1468 CD1 LEU A 96 -14.709 10.482 -7.220 1.00 74.42 C ATOM 1469 CD2 LEU A 96 -14.717 12.972 -7.455 1.00 15.32 C ATOM 0 H LEU A 96 -10.426 10.715 -7.407 1.00 54.34 H new ATOM 0 HA LEU A 96 -12.787 9.600 -8.731 1.00 11.34 H new ATOM 0 HB2 LEU A 96 -12.294 11.811 -7.113 1.00 14.43 H new ATOM 0 HB3 LEU A 96 -12.371 12.513 -8.717 1.00 14.43 H new ATOM 0 HG LEU A 96 -14.609 11.564 -9.054 1.00 54.31 H new ATOM 0 HD11 LEU A 96 -15.798 10.500 -7.177 1.00 74.42 H new ATOM 0 HD12 LEU A 96 -14.379 9.552 -7.682 1.00 74.42 H new ATOM 0 HD13 LEU A 96 -14.305 10.548 -6.210 1.00 74.42 H new ATOM 0 HD21 LEU A 96 -15.806 12.956 -7.409 1.00 15.32 H new ATOM 0 HD22 LEU A 96 -14.313 13.099 -6.451 1.00 15.32 H new ATOM 0 HD23 LEU A 96 -14.393 13.801 -8.084 1.00 15.32 H new ATOM 1481 N ASN A 97 -10.281 10.441 -10.365 1.00 5.12 N ATOM 1482 CA ASN A 97 -9.701 10.659 -11.685 1.00 11.44 C ATOM 1483 C ASN A 97 -9.993 12.072 -12.182 1.00 53.41 C ATOM 1484 O ASN A 97 -10.428 12.263 -13.317 1.00 23.31 O ATOM 1485 CB ASN A 97 -10.247 9.633 -12.681 1.00 42.33 C ATOM 1486 CG ASN A 97 -9.283 9.362 -13.819 1.00 12.31 C ATOM 1487 OD1 ASN A 97 -8.072 9.271 -13.614 1.00 71.24 O ATOM 1488 ND2 ASN A 97 -9.816 9.232 -15.028 1.00 22.23 N ATOM 0 H ASN A 97 -9.620 10.106 -9.664 1.00 5.12 H new ATOM 0 HA ASN A 97 -8.621 10.538 -11.604 1.00 11.44 H new ATOM 0 HB2 ASN A 97 -10.459 8.700 -12.158 1.00 42.33 H new ATOM 0 HB3 ASN A 97 -11.192 9.993 -13.087 1.00 42.33 H new ATOM 0 HD21 ASN A 97 -9.216 9.049 -15.833 1.00 22.23 H new ATOM 0 HD22 ASN A 97 -10.825 9.315 -15.152 1.00 22.23 H new ATOM 1495 N MET A 98 -9.747 13.057 -11.325 1.00 72.10 N ATOM 1496 CA MET A 98 -9.981 14.452 -11.678 1.00 65.33 C ATOM 1497 C MET A 98 -11.470 14.719 -11.878 1.00 32.34 C ATOM 1498 O MET A 98 -12.094 14.169 -12.786 1.00 74.41 O ATOM 1499 CB MET A 98 -9.210 14.816 -12.948 1.00 64.33 C ATOM 1500 CG MET A 98 -8.406 16.100 -12.823 1.00 53.31 C ATOM 1501 SD MET A 98 -9.420 17.578 -13.019 1.00 53.12 S ATOM 1502 CE MET A 98 -9.637 17.606 -14.797 1.00 73.32 C ATOM 0 H MET A 98 -9.386 12.915 -10.382 1.00 72.10 H new ATOM 0 HA MET A 98 -9.625 15.074 -10.856 1.00 65.33 H new ATOM 0 HB2 MET A 98 -8.536 13.998 -13.201 1.00 64.33 H new ATOM 0 HB3 MET A 98 -9.914 14.916 -13.774 1.00 64.33 H new ATOM 0 HG2 MET A 98 -7.919 16.125 -11.848 1.00 53.31 H new ATOM 0 HG3 MET A 98 -7.616 16.104 -13.574 1.00 53.31 H new ATOM 0 HE1 MET A 98 -9.745 18.637 -15.134 1.00 73.32 H new ATOM 0 HE2 MET A 98 -8.768 17.157 -15.277 1.00 73.32 H new ATOM 0 HE3 MET A 98 -10.531 17.042 -15.063 1.00 73.32 H new ATOM 1512 N THR A 99 -12.036 15.569 -11.025 1.00 53.51 N ATOM 1513 CA THR A 99 -13.450 15.908 -11.108 1.00 73.52 C ATOM 1514 C THR A 99 -13.738 17.239 -10.425 1.00 45.13 C ATOM 1515 O THR A 99 -14.703 17.366 -9.671 1.00 72.12 O ATOM 1516 CB THR A 99 -14.328 14.815 -10.470 1.00 61.14 C ATOM 1517 OG1 THR A 99 -13.644 13.557 -10.499 1.00 54.11 O ATOM 1518 CG2 THR A 99 -15.657 14.691 -11.200 1.00 3.00 C ATOM 0 H THR A 99 -11.535 16.035 -10.269 1.00 53.51 H new ATOM 0 HA THR A 99 -13.694 15.987 -12.167 1.00 73.52 H new ATOM 0 HB THR A 99 -14.525 15.098 -9.436 1.00 61.14 H new ATOM 0 HG1 THR A 99 -13.522 13.272 -11.429 1.00 54.11 H new ATOM 0 HG21 THR A 99 -16.259 13.913 -10.731 1.00 3.00 H new ATOM 0 HG22 THR A 99 -16.189 15.641 -11.150 1.00 3.00 H new ATOM 0 HG23 THR A 99 -15.476 14.430 -12.243 1.00 3.00 H new ATOM 1526 N VAL A 100 -12.894 18.231 -10.692 1.00 31.34 N ATOM 1527 CA VAL A 100 -13.060 19.554 -10.104 1.00 13.52 C ATOM 1528 C VAL A 100 -12.550 20.641 -11.043 1.00 2.43 C ATOM 1529 O VAL A 100 -12.194 20.368 -12.190 1.00 43.30 O ATOM 1530 CB VAL A 100 -12.320 19.666 -8.757 1.00 32.24 C ATOM 1531 CG1 VAL A 100 -12.780 18.575 -7.803 1.00 12.12 C ATOM 1532 CG2 VAL A 100 -10.815 19.601 -8.970 1.00 25.31 C ATOM 0 H VAL A 100 -12.089 18.143 -11.312 1.00 31.34 H new ATOM 0 HA VAL A 100 -14.128 19.694 -9.937 1.00 13.52 H new ATOM 0 HB VAL A 100 -12.559 20.631 -8.309 1.00 32.24 H new ATOM 0 HG11 VAL A 100 -12.247 18.670 -6.857 1.00 12.12 H new ATOM 0 HG12 VAL A 100 -13.851 18.673 -7.627 1.00 12.12 H new ATOM 0 HG13 VAL A 100 -12.572 17.598 -8.240 1.00 12.12 H new ATOM 0 HG21 VAL A 100 -10.308 19.682 -8.009 1.00 25.31 H new ATOM 0 HG22 VAL A 100 -10.555 18.652 -9.439 1.00 25.31 H new ATOM 0 HG23 VAL A 100 -10.503 20.423 -9.615 1.00 25.31 H new ATOM 1542 N SER A 101 -12.516 21.875 -10.550 1.00 61.43 N ATOM 1543 CA SER A 101 -12.053 23.005 -11.347 1.00 40.10 C ATOM 1544 C SER A 101 -10.840 23.665 -10.698 1.00 0.35 C ATOM 1545 O SER A 101 -9.859 23.987 -11.370 1.00 2.01 O ATOM 1546 CB SER A 101 -13.175 24.030 -11.518 1.00 50.31 C ATOM 1547 OG SER A 101 -14.322 23.438 -12.102 1.00 72.31 O ATOM 0 H SER A 101 -12.804 22.118 -9.602 1.00 61.43 H new ATOM 0 HA SER A 101 -11.761 22.631 -12.328 1.00 40.10 H new ATOM 0 HB2 SER A 101 -13.435 24.454 -10.548 1.00 50.31 H new ATOM 0 HB3 SER A 101 -12.828 24.853 -12.143 1.00 50.31 H new ATOM 0 HG SER A 101 -15.025 24.114 -12.199 1.00 72.31 H new ATOM 1553 N THR A 102 -10.914 23.864 -9.386 1.00 45.52 N ATOM 1554 CA THR A 102 -9.824 24.487 -8.645 1.00 4.10 C ATOM 1555 C THR A 102 -9.590 23.783 -7.313 1.00 34.42 C ATOM 1556 O THR A 102 -10.476 23.101 -6.798 1.00 25.32 O ATOM 1557 CB THR A 102 -10.105 25.979 -8.381 1.00 53.45 C ATOM 1558 OG1 THR A 102 -11.082 26.117 -7.344 1.00 53.23 O ATOM 1559 CG2 THR A 102 -10.597 26.669 -9.644 1.00 33.11 C ATOM 0 H THR A 102 -11.717 23.603 -8.814 1.00 45.52 H new ATOM 0 HA THR A 102 -8.930 24.396 -9.263 1.00 4.10 H new ATOM 0 HB THR A 102 -9.174 26.452 -8.068 1.00 53.45 H new ATOM 0 HG1 THR A 102 -11.254 27.068 -7.181 1.00 53.23 H new ATOM 0 HG21 THR A 102 -10.789 27.721 -9.433 1.00 33.11 H new ATOM 0 HG22 THR A 102 -9.838 26.587 -10.422 1.00 33.11 H new ATOM 0 HG23 THR A 102 -11.517 26.194 -9.983 1.00 33.11 H new ATOM 1567 N ALA A 103 -8.393 23.951 -6.762 1.00 30.32 N ATOM 1568 CA ALA A 103 -8.044 23.333 -5.489 1.00 70.41 C ATOM 1569 C ALA A 103 -9.073 23.672 -4.415 1.00 43.45 C ATOM 1570 O ALA A 103 -9.450 22.819 -3.612 1.00 63.23 O ATOM 1571 CB ALA A 103 -6.655 23.773 -5.051 1.00 73.41 C ATOM 0 H ALA A 103 -7.648 24.510 -7.177 1.00 30.32 H new ATOM 0 HA ALA A 103 -8.043 22.252 -5.626 1.00 70.41 H new ATOM 0 HB1 ALA A 103 -6.408 23.304 -4.099 1.00 73.41 H new ATOM 0 HB2 ALA A 103 -5.925 23.474 -5.803 1.00 73.41 H new ATOM 0 HB3 ALA A 103 -6.636 24.857 -4.937 1.00 73.41 H new ATOM 1577 N ALA A 104 -9.520 24.923 -4.404 1.00 63.10 N ATOM 1578 CA ALA A 104 -10.505 25.374 -3.429 1.00 41.13 C ATOM 1579 C ALA A 104 -11.830 24.639 -3.606 1.00 0.11 C ATOM 1580 O ALA A 104 -12.435 24.190 -2.634 1.00 11.12 O ATOM 1581 CB ALA A 104 -10.713 26.876 -3.545 1.00 4.23 C ATOM 0 H ALA A 104 -9.216 25.643 -5.060 1.00 63.10 H new ATOM 0 HA ALA A 104 -10.124 25.147 -2.433 1.00 41.13 H new ATOM 0 HB1 ALA A 104 -11.451 27.199 -2.811 1.00 4.23 H new ATOM 0 HB2 ALA A 104 -9.769 27.389 -3.361 1.00 4.23 H new ATOM 0 HB3 ALA A 104 -11.068 27.118 -4.547 1.00 4.23 H new ATOM 1587 N ALA A 105 -12.273 24.522 -4.853 1.00 33.20 N ATOM 1588 CA ALA A 105 -13.526 23.840 -5.157 1.00 22.12 C ATOM 1589 C ALA A 105 -13.487 22.389 -4.693 1.00 35.13 C ATOM 1590 O ALA A 105 -14.512 21.817 -4.325 1.00 64.32 O ATOM 1591 CB ALA A 105 -13.818 23.914 -6.648 1.00 15.51 C ATOM 0 H ALA A 105 -11.784 24.890 -5.669 1.00 33.20 H new ATOM 0 HA ALA A 105 -14.327 24.344 -4.617 1.00 22.12 H new ATOM 0 HB1 ALA A 105 -14.756 23.401 -6.861 1.00 15.51 H new ATOM 0 HB2 ALA A 105 -13.898 24.958 -6.952 1.00 15.51 H new ATOM 0 HB3 ALA A 105 -13.009 23.436 -7.201 1.00 15.51 H new ATOM 1597 N ALA A 106 -12.297 21.796 -4.717 1.00 5.14 N ATOM 1598 CA ALA A 106 -12.125 20.410 -4.299 1.00 45.12 C ATOM 1599 C ALA A 106 -12.306 20.266 -2.791 1.00 1.22 C ATOM 1600 O ALA A 106 -13.047 19.402 -2.326 1.00 1.20 O ATOM 1601 CB ALA A 106 -10.756 19.898 -4.720 1.00 45.33 C ATOM 0 H ALA A 106 -11.438 22.254 -5.022 1.00 5.14 H new ATOM 0 HA ALA A 106 -12.891 19.810 -4.790 1.00 45.12 H new ATOM 0 HB1 ALA A 106 -10.641 18.862 -4.401 1.00 45.33 H new ATOM 0 HB2 ALA A 106 -10.663 19.957 -5.804 1.00 45.33 H new ATOM 0 HB3 ALA A 106 -9.981 20.508 -4.256 1.00 45.33 H new ATOM 1607 N GLU A 107 -11.621 21.118 -2.034 1.00 24.12 N ATOM 1608 CA GLU A 107 -11.706 21.084 -0.578 1.00 23.31 C ATOM 1609 C GLU A 107 -13.127 21.379 -0.109 1.00 64.54 C ATOM 1610 O GLU A 107 -13.674 20.668 0.733 1.00 52.22 O ATOM 1611 CB GLU A 107 -10.734 22.094 0.035 1.00 21.31 C ATOM 1612 CG GLU A 107 -10.913 22.278 1.533 1.00 61.11 C ATOM 1613 CD GLU A 107 -11.398 23.668 1.896 1.00 41.23 C ATOM 1614 OE1 GLU A 107 -12.313 23.775 2.740 1.00 33.25 O ATOM 1615 OE2 GLU A 107 -10.862 24.648 1.338 1.00 64.35 O ATOM 0 H GLU A 107 -11.002 21.839 -2.404 1.00 24.12 H new ATOM 0 HA GLU A 107 -11.434 20.082 -0.247 1.00 23.31 H new ATOM 0 HB2 GLU A 107 -9.713 21.769 -0.163 1.00 21.31 H new ATOM 0 HB3 GLU A 107 -10.864 23.057 -0.459 1.00 21.31 H new ATOM 0 HG2 GLU A 107 -11.625 21.541 1.903 1.00 61.11 H new ATOM 0 HG3 GLU A 107 -9.965 22.086 2.035 1.00 61.11 H new ATOM 1622 N ASN A 108 -13.720 22.433 -0.659 1.00 11.04 N ATOM 1623 CA ASN A 108 -15.078 22.824 -0.296 1.00 13.41 C ATOM 1624 C ASN A 108 -16.074 21.730 -0.665 1.00 62.53 C ATOM 1625 O ASN A 108 -16.983 21.419 0.106 1.00 1.44 O ATOM 1626 CB ASN A 108 -15.457 24.132 -0.993 1.00 63.10 C ATOM 1627 CG ASN A 108 -15.373 25.328 -0.064 1.00 21.52 C ATOM 1628 OD1 ASN A 108 -16.167 25.462 0.867 1.00 21.54 O ATOM 1629 ND2 ASN A 108 -14.407 26.204 -0.313 1.00 53.45 N ATOM 0 H ASN A 108 -13.282 23.032 -1.358 1.00 11.04 H new ATOM 0 HA ASN A 108 -15.112 22.973 0.783 1.00 13.41 H new ATOM 0 HB2 ASN A 108 -14.797 24.291 -1.846 1.00 63.10 H new ATOM 0 HB3 ASN A 108 -16.471 24.051 -1.386 1.00 63.10 H new ATOM 0 HD21 ASN A 108 -14.301 27.028 0.279 1.00 53.45 H new ATOM 0 HD22 ASN A 108 -13.771 26.053 -1.096 1.00 53.45 H new ATOM 1636 N MET A 109 -15.898 21.151 -1.848 1.00 71.53 N ATOM 1637 CA MET A 109 -16.783 20.090 -2.318 1.00 54.54 C ATOM 1638 C MET A 109 -16.611 18.827 -1.478 1.00 10.45 C ATOM 1639 O MET A 109 -17.587 18.161 -1.136 1.00 62.12 O ATOM 1640 CB MET A 109 -16.504 19.780 -3.789 1.00 12.11 C ATOM 1641 CG MET A 109 -17.234 18.547 -4.299 1.00 2.25 C ATOM 1642 SD MET A 109 -16.172 17.092 -4.370 1.00 54.15 S ATOM 1643 CE MET A 109 -16.785 16.298 -5.854 1.00 50.23 C ATOM 0 H MET A 109 -15.152 21.398 -2.498 1.00 71.53 H new ATOM 0 HA MET A 109 -17.812 20.436 -2.216 1.00 54.54 H new ATOM 0 HB2 MET A 109 -16.793 20.639 -4.394 1.00 12.11 H new ATOM 0 HB3 MET A 109 -15.432 19.640 -3.925 1.00 12.11 H new ATOM 0 HG2 MET A 109 -18.085 18.339 -3.651 1.00 2.25 H new ATOM 0 HG3 MET A 109 -17.632 18.750 -5.293 1.00 2.25 H new ATOM 0 HE1 MET A 109 -16.440 15.264 -5.883 1.00 50.23 H new ATOM 0 HE2 MET A 109 -17.875 16.317 -5.853 1.00 50.23 H new ATOM 0 HE3 MET A 109 -16.414 16.829 -6.731 1.00 50.23 H new ATOM 1653 N TYR A 110 -15.364 18.505 -1.151 1.00 21.34 N ATOM 1654 CA TYR A 110 -15.065 17.321 -0.356 1.00 51.24 C ATOM 1655 C TYR A 110 -15.820 17.351 0.971 1.00 12.45 C ATOM 1656 O TYR A 110 -16.426 16.359 1.375 1.00 12.20 O ATOM 1657 CB TYR A 110 -13.561 17.221 -0.096 1.00 1.15 C ATOM 1658 CG TYR A 110 -13.105 15.835 0.301 1.00 1.41 C ATOM 1659 CD1 TYR A 110 -12.990 15.478 1.639 1.00 23.10 C ATOM 1660 CD2 TYR A 110 -12.788 14.885 -0.661 1.00 73.15 C ATOM 1661 CE1 TYR A 110 -12.573 14.213 2.007 1.00 24.44 C ATOM 1662 CE2 TYR A 110 -12.373 13.617 -0.303 1.00 1.51 C ATOM 1663 CZ TYR A 110 -12.266 13.286 1.032 1.00 3.01 C ATOM 1664 OH TYR A 110 -11.850 12.025 1.393 1.00 64.32 O ATOM 0 H TYR A 110 -14.545 19.048 -1.424 1.00 21.34 H new ATOM 0 HA TYR A 110 -15.389 16.446 -0.919 1.00 51.24 H new ATOM 0 HB2 TYR A 110 -13.025 17.527 -0.994 1.00 1.15 H new ATOM 0 HB3 TYR A 110 -13.290 17.923 0.692 1.00 1.15 H new ATOM 0 HD1 TYR A 110 -13.231 16.201 2.404 1.00 23.10 H new ATOM 0 HD2 TYR A 110 -12.867 15.142 -1.707 1.00 73.15 H new ATOM 0 HE1 TYR A 110 -12.488 13.951 3.051 1.00 24.44 H new ATOM 0 HE2 TYR A 110 -12.134 12.889 -1.064 1.00 1.51 H new ATOM 0 HH TYR A 110 -11.675 11.495 0.587 1.00 64.32 H new ATOM 1674 N SER A 111 -15.778 18.498 1.641 1.00 61.43 N ATOM 1675 CA SER A 111 -16.454 18.658 2.923 1.00 65.23 C ATOM 1676 C SER A 111 -17.952 18.870 2.724 1.00 33.31 C ATOM 1677 O SER A 111 -18.766 18.406 3.521 1.00 63.12 O ATOM 1678 CB SER A 111 -15.859 19.838 3.695 1.00 35.21 C ATOM 1679 OG SER A 111 -16.074 21.057 3.006 1.00 13.43 O ATOM 0 H SER A 111 -15.283 19.329 1.318 1.00 61.43 H new ATOM 0 HA SER A 111 -16.306 17.745 3.500 1.00 65.23 H new ATOM 0 HB2 SER A 111 -16.309 19.892 4.686 1.00 35.21 H new ATOM 0 HB3 SER A 111 -14.790 19.681 3.838 1.00 35.21 H new ATOM 0 HG SER A 111 -15.404 21.155 2.298 1.00 13.43 H new ATOM 1685 N GLN A 112 -18.306 19.574 1.654 1.00 23.24 N ATOM 1686 CA GLN A 112 -19.706 19.848 1.350 1.00 10.42 C ATOM 1687 C GLN A 112 -20.462 18.557 1.057 1.00 62.43 C ATOM 1688 O GLN A 112 -21.643 18.431 1.383 1.00 44.11 O ATOM 1689 CB GLN A 112 -19.813 20.798 0.156 1.00 24.23 C ATOM 1690 CG GLN A 112 -21.246 21.133 -0.229 1.00 54.53 C ATOM 1691 CD GLN A 112 -21.414 22.579 -0.650 1.00 70.23 C ATOM 1692 OE1 GLN A 112 -21.920 23.404 0.112 1.00 32.04 O ATOM 1693 NE2 GLN A 112 -20.990 22.895 -1.868 1.00 50.44 N ATOM 0 H GLN A 112 -17.644 19.965 0.984 1.00 23.24 H new ATOM 0 HA GLN A 112 -20.156 20.320 2.223 1.00 10.42 H new ATOM 0 HB2 GLN A 112 -19.283 21.721 0.388 1.00 24.23 H new ATOM 0 HB3 GLN A 112 -19.311 20.349 -0.701 1.00 24.23 H new ATOM 0 HG2 GLN A 112 -21.561 20.482 -1.045 1.00 54.53 H new ATOM 0 HG3 GLN A 112 -21.903 20.926 0.616 1.00 54.53 H new ATOM 0 HE21 GLN A 112 -20.577 22.179 -2.466 1.00 50.44 H new ATOM 0 HE22 GLN A 112 -21.077 23.853 -2.206 1.00 50.44 H new ATOM 1702 N MET A 113 -19.776 17.601 0.441 1.00 11.43 N ATOM 1703 CA MET A 113 -20.384 16.319 0.106 1.00 32.24 C ATOM 1704 C MET A 113 -20.570 15.461 1.354 1.00 1.45 C ATOM 1705 O MET A 113 -21.337 14.501 1.350 1.00 53.01 O ATOM 1706 CB MET A 113 -19.523 15.573 -0.916 1.00 13.30 C ATOM 1707 CG MET A 113 -20.164 15.468 -2.290 1.00 1.43 C ATOM 1708 SD MET A 113 -19.022 14.858 -3.545 1.00 52.30 S ATOM 1709 CE MET A 113 -19.139 13.090 -3.279 1.00 42.33 C ATOM 0 H MET A 113 -18.798 17.690 0.163 1.00 11.43 H new ATOM 0 HA MET A 113 -21.365 16.514 -0.328 1.00 32.24 H new ATOM 0 HB2 MET A 113 -18.563 16.081 -1.010 1.00 13.30 H new ATOM 0 HB3 MET A 113 -19.318 14.570 -0.542 1.00 13.30 H new ATOM 0 HG2 MET A 113 -21.026 14.803 -2.235 1.00 1.43 H new ATOM 0 HG3 MET A 113 -20.536 16.448 -2.589 1.00 1.43 H new ATOM 0 HE1 MET A 113 -18.386 12.581 -3.881 1.00 42.33 H new ATOM 0 HE2 MET A 113 -18.971 12.869 -2.225 1.00 42.33 H new ATOM 0 HE3 MET A 113 -20.131 12.743 -3.569 1.00 42.33 H new ATOM 1719 N GLY A 114 -19.860 15.817 2.421 1.00 3.15 N ATOM 1720 CA GLY A 114 -19.961 15.070 3.660 1.00 41.14 C ATOM 1721 C GLY A 114 -18.810 14.101 3.849 1.00 44.01 C ATOM 1722 O GLY A 114 -18.916 13.139 4.612 1.00 20.24 O ATOM 0 H GLY A 114 -19.218 16.609 2.449 1.00 3.15 H new ATOM 0 HA2 GLY A 114 -19.988 15.766 4.499 1.00 41.14 H new ATOM 0 HA3 GLY A 114 -20.901 14.519 3.673 1.00 41.14 H new ATOM 1726 N LEU A 115 -17.707 14.354 3.153 1.00 70.44 N ATOM 1727 CA LEU A 115 -16.531 13.495 3.246 1.00 25.52 C ATOM 1728 C LEU A 115 -15.566 14.008 4.309 1.00 51.20 C ATOM 1729 O LEU A 115 -14.821 13.234 4.911 1.00 75.32 O ATOM 1730 CB LEU A 115 -15.823 13.419 1.891 1.00 63.25 C ATOM 1731 CG LEU A 115 -16.713 13.125 0.684 1.00 61.43 C ATOM 1732 CD1 LEU A 115 -16.424 14.102 -0.444 1.00 12.43 C ATOM 1733 CD2 LEU A 115 -16.517 11.691 0.214 1.00 20.03 C ATOM 0 H LEU A 115 -17.602 15.146 2.519 1.00 70.44 H new ATOM 0 HA LEU A 115 -16.861 12.497 3.533 1.00 25.52 H new ATOM 0 HB2 LEU A 115 -15.311 14.366 1.718 1.00 63.25 H new ATOM 0 HB3 LEU A 115 -15.055 12.647 1.948 1.00 63.25 H new ATOM 0 HG LEU A 115 -17.753 13.249 0.985 1.00 61.43 H new ATOM 0 HD11 LEU A 115 -17.067 13.877 -1.294 1.00 12.43 H new ATOM 0 HD12 LEU A 115 -16.617 15.119 -0.103 1.00 12.43 H new ATOM 0 HD13 LEU A 115 -15.380 14.012 -0.745 1.00 12.43 H new ATOM 0 HD21 LEU A 115 -17.158 11.499 -0.646 1.00 20.03 H new ATOM 0 HD22 LEU A 115 -15.475 11.540 -0.069 1.00 20.03 H new ATOM 0 HD23 LEU A 115 -16.777 11.005 1.020 1.00 20.03 H new ATOM 1745 N ASP A 116 -15.585 15.316 4.537 1.00 3.21 N ATOM 1746 CA ASP A 116 -14.714 15.933 5.530 1.00 40.35 C ATOM 1747 C ASP A 116 -15.532 16.626 6.615 1.00 63.11 C ATOM 1748 O ASP A 116 -16.145 17.667 6.377 1.00 11.15 O ATOM 1749 CB ASP A 116 -13.773 16.938 4.863 1.00 75.41 C ATOM 1750 CG ASP A 116 -13.162 17.906 5.856 1.00 2.12 C ATOM 1751 OD1 ASP A 116 -12.520 17.441 6.821 1.00 41.02 O ATOM 1752 OD2 ASP A 116 -13.324 19.130 5.667 1.00 23.52 O ATOM 0 H ASP A 116 -16.195 15.970 4.047 1.00 3.21 H new ATOM 0 HA ASP A 116 -14.120 15.146 5.994 1.00 40.35 H new ATOM 0 HB2 ASP A 116 -12.977 16.400 4.348 1.00 75.41 H new ATOM 0 HB3 ASP A 116 -14.322 17.497 4.105 1.00 75.41 H new ATOM 1757 N THR A 117 -15.538 16.041 7.810 1.00 23.13 N ATOM 1758 CA THR A 117 -16.283 16.602 8.931 1.00 34.13 C ATOM 1759 C THR A 117 -15.927 18.068 9.150 1.00 1.10 C ATOM 1760 O THR A 117 -14.757 18.448 9.086 1.00 25.43 O ATOM 1761 CB THR A 117 -16.013 15.820 10.230 1.00 24.43 C ATOM 1762 OG1 THR A 117 -16.911 16.254 11.258 1.00 3.21 O ATOM 1763 CG2 THR A 117 -14.577 16.013 10.690 1.00 3.44 C ATOM 0 H THR A 117 -15.036 15.180 8.026 1.00 23.13 H new ATOM 0 HA THR A 117 -17.341 16.522 8.680 1.00 34.13 H new ATOM 0 HB THR A 117 -16.174 14.761 10.030 1.00 24.43 H new ATOM 0 HG1 THR A 117 -16.734 15.751 12.080 1.00 3.21 H new ATOM 0 HG21 THR A 117 -14.411 15.451 11.609 1.00 3.44 H new ATOM 0 HG22 THR A 117 -13.896 15.655 9.918 1.00 3.44 H new ATOM 0 HG23 THR A 117 -14.393 17.072 10.874 1.00 3.44 H new ATOM 1771 N ARG A 118 -16.941 18.886 9.410 1.00 13.03 N ATOM 1772 CA ARG A 118 -16.734 20.311 9.638 1.00 23.42 C ATOM 1773 C ARG A 118 -16.165 20.984 8.392 1.00 62.04 C ATOM 1774 O ARG A 118 -15.611 20.335 7.504 1.00 51.24 O ATOM 1775 CB ARG A 118 -15.793 20.528 10.823 1.00 63.22 C ATOM 1776 CG ARG A 118 -16.506 20.943 12.099 1.00 3.45 C ATOM 1777 CD ARG A 118 -16.758 19.754 13.011 1.00 55.34 C ATOM 1778 NE ARG A 118 -18.123 19.251 12.891 1.00 75.22 N ATOM 1779 CZ ARG A 118 -19.190 19.906 13.336 1.00 12.44 C ATOM 1780 NH1 ARG A 118 -19.048 21.084 13.927 1.00 5.52 N ATOM 1781 NH2 ARG A 118 -20.400 19.384 13.190 1.00 22.31 N ATOM 0 H ARG A 118 -17.914 18.587 9.468 1.00 13.03 H new ATOM 0 HA ARG A 118 -17.701 20.762 9.864 1.00 23.42 H new ATOM 0 HB2 ARG A 118 -15.239 19.608 11.009 1.00 63.22 H new ATOM 0 HB3 ARG A 118 -15.062 21.293 10.560 1.00 63.22 H new ATOM 0 HG2 ARG A 118 -15.907 21.686 12.626 1.00 3.45 H new ATOM 0 HG3 ARG A 118 -17.455 21.418 11.848 1.00 3.45 H new ATOM 0 HD2 ARG A 118 -16.055 18.957 12.769 1.00 55.34 H new ATOM 0 HD3 ARG A 118 -16.568 20.043 14.045 1.00 55.34 H new ATOM 0 HE ARG A 118 -18.266 18.347 12.441 1.00 75.22 H new ATOM 0 HH11 ARG A 118 -18.119 21.489 14.041 1.00 5.52 H new ATOM 0 HH12 ARG A 118 -19.868 21.586 14.268 1.00 5.52 H new ATOM 0 HH21 ARG A 118 -20.513 18.478 12.735 1.00 22.31 H new ATOM 0 HH22 ARG A 118 -21.218 19.888 13.532 1.00 22.31 H new ATOM 1795 N PRO A 119 -16.304 22.316 8.323 1.00 21.40 N ATOM 1796 CA PRO A 119 -15.810 23.106 7.191 1.00 41.12 C ATOM 1797 C PRO A 119 -14.287 23.165 7.147 1.00 32.35 C ATOM 1798 O PRO A 119 -13.606 22.276 7.658 1.00 63.21 O ATOM 1799 CB PRO A 119 -16.392 24.498 7.450 1.00 52.00 C ATOM 1800 CG PRO A 119 -16.601 24.554 8.924 1.00 13.12 C ATOM 1801 CD PRO A 119 -16.955 23.154 9.345 1.00 14.14 C ATOM 0 HA PRO A 119 -16.106 22.677 6.234 1.00 41.12 H new ATOM 0 HB2 PRO A 119 -15.710 25.280 7.117 1.00 52.00 H new ATOM 0 HB3 PRO A 119 -17.329 24.642 6.912 1.00 52.00 H new ATOM 0 HG2 PRO A 119 -15.701 24.899 9.433 1.00 13.12 H new ATOM 0 HG3 PRO A 119 -17.399 25.252 9.179 1.00 13.12 H new ATOM 0 HD2 PRO A 119 -16.584 22.929 10.345 1.00 14.14 H new ATOM 0 HD3 PRO A 119 -18.034 23.000 9.363 1.00 14.14 H new TER 1809 PRO A 119