USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 61 THR OG1 : rot 164:sc= 0.312 USER MOD Set 1.2: A 64 HIS : no HE2:sc= 0.709 K(o=1.2,f=-4.4!) USER MOD Set 1.3: A 104 TYR OH : rot -141:sc= 0.184 USER MOD Set 2.1: A 41 MET CE :methyl -152:sc= 0 (180deg=-0.0186) USER MOD Set 2.2: A 71 MET CE :methyl -157:sc= -0.284 (180deg=-1.44) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -2.35 K(o=-2.4,f=-3.1) USER MOD Single : A 29 SER OG : rot 55:sc= 0.801 USER MOD Single : A 34 GLN : amide:sc= -0.321 K(o=-0.32,f=-1) USER MOD Single : A 35 SER OG : rot -33:sc= 0.79 USER MOD Single : A 44 ASN : amide:sc= 0.0154 K(o=0.015,f=-2.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.373 F(o=-0.98,f=-0.37) USER MOD Single : A 69 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 75 GLN : amide:sc=-0.00357 K(o=-0.0036,f=-0.83) USER MOD Single : A 77 SER OG : rot 61:sc= 1.24 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 85 THR OG1 : rot -140:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.81) USER MOD Single : A 112 THR OG1 : rot 80:sc= 0.23 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 166:sc= 0 USER MOD Single : A 134 MET CE :methyl -163:sc= -0.0711 (180deg=-0.53) USER MOD Single : A 136 SER OG : rot 62:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 1.969 21.299 -8.596 1.00 0.00 N ATOM 2 CA MET A 23 1.196 22.450 -9.076 1.00 0.00 C ATOM 3 C MET A 23 -0.227 22.264 -8.587 1.00 0.00 C ATOM 4 O MET A 23 -1.031 21.606 -9.250 1.00 0.00 O ATOM 5 CB MET A 23 1.310 22.573 -10.603 1.00 0.00 C ATOM 6 CG MET A 23 0.512 23.752 -11.166 1.00 0.00 C ATOM 7 SD MET A 23 0.643 23.918 -12.963 1.00 0.00 S ATOM 8 CE MET A 23 -0.539 25.266 -13.205 1.00 0.00 C ATOM 0 HA MET A 23 1.580 23.392 -8.684 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.359 22.687 -10.876 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.959 21.650 -11.064 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.537 23.633 -10.895 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.860 24.673 -10.697 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.597 25.513 -14.265 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.522 24.956 -12.851 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.211 26.142 -12.645 1.00 0.00 H new ATOM 20 N LYS A 24 -0.522 22.780 -7.388 1.00 0.00 N ATOM 21 CA LYS A 24 -1.405 22.136 -6.407 1.00 0.00 C ATOM 22 C LYS A 24 -0.826 20.761 -6.034 1.00 0.00 C ATOM 23 O LYS A 24 0.069 20.258 -6.714 1.00 0.00 O ATOM 24 CB LYS A 24 -2.872 22.124 -6.909 1.00 0.00 C ATOM 25 CG LYS A 24 -3.956 22.042 -5.814 1.00 0.00 C ATOM 26 CD LYS A 24 -4.630 20.673 -5.628 1.00 0.00 C ATOM 27 CE LYS A 24 -5.443 20.194 -6.838 1.00 0.00 C ATOM 28 NZ LYS A 24 -6.672 20.989 -7.031 1.00 0.00 N ATOM 0 H LYS A 24 -0.147 23.672 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.444 22.709 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.043 23.027 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.999 21.277 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.507 22.335 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.729 22.776 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.863 19.932 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.288 20.721 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.827 20.256 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.707 19.145 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.190 20.631 -7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.273 20.910 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.420 21.986 -7.185 1.00 0.00 H new ATOM 42 N VAL A 25 -1.337 20.165 -4.957 1.00 0.00 N ATOM 43 CA VAL A 25 -0.933 18.896 -4.357 1.00 0.00 C ATOM 44 C VAL A 25 0.470 19.048 -3.721 1.00 0.00 C ATOM 45 O VAL A 25 1.355 19.672 -4.317 1.00 0.00 O ATOM 46 CB VAL A 25 -1.037 17.746 -5.387 1.00 0.00 C ATOM 47 CG1 VAL A 25 -0.921 16.377 -4.715 1.00 0.00 C ATOM 48 CG2 VAL A 25 -2.361 17.735 -6.177 1.00 0.00 C ATOM 0 H VAL A 25 -2.106 20.593 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.615 18.625 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.210 17.930 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.999 15.594 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.042 16.300 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.723 16.260 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.359 16.901 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.196 17.626 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.465 18.671 -6.726 1.00 0.00 H new ATOM 58 N PRO A 26 0.708 18.571 -2.487 1.00 0.00 N ATOM 59 CA PRO A 26 2.045 18.598 -1.897 1.00 0.00 C ATOM 60 C PRO A 26 2.966 17.613 -2.634 1.00 0.00 C ATOM 61 O PRO A 26 2.462 16.608 -3.139 1.00 0.00 O ATOM 62 CB PRO A 26 1.846 18.215 -0.425 1.00 0.00 C ATOM 63 CG PRO A 26 0.590 17.349 -0.450 1.00 0.00 C ATOM 64 CD PRO A 26 -0.244 17.961 -1.572 1.00 0.00 C ATOM 0 HA PRO A 26 2.523 19.574 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.703 17.668 -0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.715 19.095 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.827 16.304 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.063 17.379 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.839 17.200 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.941 18.703 -1.181 1.00 0.00 H new ATOM 72 N PRO A 27 4.291 17.844 -2.693 1.00 0.00 N ATOM 73 CA PRO A 27 5.231 16.858 -3.210 1.00 0.00 C ATOM 74 C PRO A 27 5.193 15.622 -2.313 1.00 0.00 C ATOM 75 O PRO A 27 5.293 15.715 -1.087 1.00 0.00 O ATOM 76 CB PRO A 27 6.603 17.532 -3.255 1.00 0.00 C ATOM 77 CG PRO A 27 6.481 18.694 -2.271 1.00 0.00 C ATOM 78 CD PRO A 27 4.994 19.049 -2.290 1.00 0.00 C ATOM 0 HA PRO A 27 4.981 16.518 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.395 16.843 -2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.842 17.883 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.809 18.406 -1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.096 19.540 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.662 19.382 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.798 19.864 -2.986 1.00 0.00 H new ATOM 86 N HIS A 28 5.042 14.471 -2.955 1.00 0.00 N ATOM 87 CA HIS A 28 4.744 13.171 -2.373 1.00 0.00 C ATOM 88 C HIS A 28 5.535 12.089 -3.112 1.00 0.00 C ATOM 89 O HIS A 28 6.462 12.398 -3.867 1.00 0.00 O ATOM 90 CB HIS A 28 3.226 12.965 -2.511 1.00 0.00 C ATOM 91 CG HIS A 28 2.688 13.184 -3.912 1.00 0.00 C ATOM 92 ND1 HIS A 28 1.828 14.189 -4.270 1.00 0.00 N ATOM 93 CD2 HIS A 28 2.966 12.470 -5.050 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.564 14.070 -5.578 1.00 0.00 C ATOM 95 NE2 HIS A 28 2.207 13.008 -6.092 1.00 0.00 N ATOM 0 H HIS A 28 5.131 14.419 -3.970 1.00 0.00 H new ATOM 0 HA HIS A 28 5.031 13.114 -1.323 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.979 11.952 -2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.716 13.645 -1.829 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.453 14.905 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.651 11.639 -5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.924 14.734 -6.140 1.00 0.00 H new ATOM 103 N SER A 29 5.156 10.826 -2.943 1.00 0.00 N ATOM 104 CA SER A 29 5.694 9.696 -3.686 1.00 0.00 C ATOM 105 C SER A 29 4.589 8.778 -4.220 1.00 0.00 C ATOM 106 O SER A 29 4.904 7.650 -4.557 1.00 0.00 O ATOM 107 CB SER A 29 6.726 8.953 -2.818 1.00 0.00 C ATOM 108 OG SER A 29 6.308 8.836 -1.473 1.00 0.00 O ATOM 0 H SER A 29 4.445 10.555 -2.264 1.00 0.00 H new ATOM 0 HA SER A 29 6.207 10.069 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.897 7.959 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.678 9.482 -2.856 1.00 0.00 H new ATOM 0 HG SER A 29 5.424 8.415 -1.441 1.00 0.00 H new ATOM 114 N ILE A 30 3.319 9.212 -4.313 1.00 0.00 N ATOM 115 CA ILE A 30 2.150 8.374 -4.621 1.00 0.00 C ATOM 116 C ILE A 30 2.472 7.338 -5.691 1.00 0.00 C ATOM 117 O ILE A 30 2.312 6.150 -5.465 1.00 0.00 O ATOM 118 CB ILE A 30 0.923 9.240 -5.030 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.481 10.250 -3.949 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.319 8.410 -5.424 1.00 0.00 C ATOM 121 CD1 ILE A 30 0.538 9.687 -2.534 1.00 0.00 C ATOM 0 H ILE A 30 3.072 10.191 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 30 1.887 7.836 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 30 1.294 9.781 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.117 11.133 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.537 10.576 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.134 9.081 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.075 7.771 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.626 7.791 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.214 10.450 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.120 8.821 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.560 9.387 -2.303 1.00 0.00 H new ATOM 133 N GLU A 31 2.886 7.769 -6.870 1.00 0.00 N ATOM 134 CA GLU A 31 3.066 6.853 -7.991 1.00 0.00 C ATOM 135 C GLU A 31 4.203 5.839 -7.795 1.00 0.00 C ATOM 136 O GLU A 31 4.150 4.728 -8.322 1.00 0.00 O ATOM 137 CB GLU A 31 3.092 7.690 -9.263 1.00 0.00 C ATOM 138 CG GLU A 31 1.603 7.980 -9.553 1.00 0.00 C ATOM 139 CD GLU A 31 1.334 9.093 -10.567 1.00 0.00 C ATOM 140 OE1 GLU A 31 1.340 8.839 -11.792 1.00 0.00 O ATOM 141 OE2 GLU A 31 0.961 10.215 -10.140 1.00 0.00 O ATOM 0 H GLU A 31 3.104 8.743 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 31 2.224 6.166 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.658 8.611 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.561 7.150 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.136 7.063 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.112 8.240 -8.615 1.00 0.00 H new ATOM 148 N ALA A 32 5.211 6.196 -7.007 1.00 0.00 N ATOM 149 CA ALA A 32 6.237 5.276 -6.523 1.00 0.00 C ATOM 150 C ALA A 32 5.627 4.324 -5.482 1.00 0.00 C ATOM 151 O ALA A 32 5.818 3.114 -5.582 1.00 0.00 O ATOM 152 CB ALA A 32 7.423 6.049 -5.930 1.00 0.00 C ATOM 0 H ALA A 32 5.342 7.153 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 32 6.611 4.688 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.176 5.345 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.859 6.691 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.078 6.661 -5.097 1.00 0.00 H new ATOM 158 N GLU A 33 4.862 4.849 -4.516 1.00 0.00 N ATOM 159 CA GLU A 33 4.136 4.088 -3.495 1.00 0.00 C ATOM 160 C GLU A 33 3.233 3.046 -4.157 1.00 0.00 C ATOM 161 O GLU A 33 3.098 1.941 -3.639 1.00 0.00 O ATOM 162 CB GLU A 33 3.263 5.001 -2.608 1.00 0.00 C ATOM 163 CG GLU A 33 4.018 6.025 -1.750 1.00 0.00 C ATOM 164 CD GLU A 33 3.152 7.202 -1.292 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.915 7.050 -1.171 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.715 8.303 -1.062 1.00 0.00 O ATOM 0 H GLU A 33 4.728 5.856 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 33 4.883 3.602 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.565 5.538 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.668 4.371 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.425 5.522 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.865 6.408 -2.319 1.00 0.00 H new ATOM 173 N GLN A 34 2.647 3.364 -5.314 1.00 0.00 N ATOM 174 CA GLN A 34 1.831 2.433 -6.071 1.00 0.00 C ATOM 175 C GLN A 34 2.633 1.189 -6.447 1.00 0.00 C ATOM 176 O GLN A 34 2.150 0.079 -6.241 1.00 0.00 O ATOM 177 CB GLN A 34 1.228 3.105 -7.314 1.00 0.00 C ATOM 178 CG GLN A 34 0.130 4.115 -6.953 1.00 0.00 C ATOM 179 CD GLN A 34 -0.747 4.443 -8.147 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.521 5.425 -8.842 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.776 3.660 -8.411 1.00 0.00 N ATOM 0 H GLN A 34 2.731 4.283 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 34 1.003 2.118 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.017 3.612 -7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.814 2.342 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.486 3.711 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.587 5.030 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.958 2.843 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.389 3.871 -9.198 1.00 0.00 H new ATOM 190 N SER A 35 3.857 1.360 -6.954 1.00 0.00 N ATOM 191 CA SER A 35 4.732 0.242 -7.282 1.00 0.00 C ATOM 192 C SER A 35 5.275 -0.484 -6.046 1.00 0.00 C ATOM 193 O SER A 35 5.675 -1.645 -6.151 1.00 0.00 O ATOM 194 CB SER A 35 5.875 0.735 -8.159 1.00 0.00 C ATOM 195 OG SER A 35 5.367 1.194 -9.405 1.00 0.00 O ATOM 0 H SER A 35 4.264 2.275 -7.146 1.00 0.00 H new ATOM 0 HA SER A 35 4.133 -0.491 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.410 1.541 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.592 -0.070 -8.323 1.00 0.00 H new ATOM 0 HG SER A 35 4.588 0.656 -9.659 1.00 0.00 H new ATOM 201 N VAL A 36 5.294 0.161 -4.880 1.00 0.00 N ATOM 202 CA VAL A 36 5.568 -0.521 -3.618 1.00 0.00 C ATOM 203 C VAL A 36 4.382 -1.431 -3.297 1.00 0.00 C ATOM 204 O VAL A 36 4.563 -2.634 -3.143 1.00 0.00 O ATOM 205 CB VAL A 36 5.899 0.473 -2.480 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.162 -0.249 -1.152 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.144 1.308 -2.807 1.00 0.00 C ATOM 0 H VAL A 36 5.121 1.162 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 36 6.463 -1.135 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 36 5.026 1.119 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.391 0.484 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.276 -0.816 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.006 -0.929 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.347 1.995 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.999 0.647 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.971 1.876 -3.721 1.00 0.00 H new ATOM 217 N LEU A 37 3.167 -0.888 -3.211 1.00 0.00 N ATOM 218 CA LEU A 37 1.990 -1.650 -2.803 1.00 0.00 C ATOM 219 C LEU A 37 1.670 -2.757 -3.800 1.00 0.00 C ATOM 220 O LEU A 37 1.354 -3.869 -3.390 1.00 0.00 O ATOM 221 CB LEU A 37 0.783 -0.721 -2.632 1.00 0.00 C ATOM 222 CG LEU A 37 0.931 0.287 -1.478 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.313 1.170 -1.456 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.119 -0.372 -0.105 1.00 0.00 C ATOM 0 H LEU A 37 2.973 0.091 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 37 2.213 -2.118 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.623 -0.174 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.108 -1.326 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 37 1.836 0.867 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.231 1.894 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.402 1.698 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.196 0.550 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.216 0.400 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.255 -0.998 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.019 -0.987 -0.117 1.00 0.00 H new ATOM 236 N GLY A 38 1.772 -2.486 -5.099 1.00 0.00 N ATOM 237 CA GLY A 38 1.671 -3.526 -6.107 1.00 0.00 C ATOM 238 C GLY A 38 2.811 -4.529 -5.968 1.00 0.00 C ATOM 239 O GLY A 38 2.571 -5.727 -6.096 1.00 0.00 O ATOM 0 H GLY A 38 1.925 -1.550 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.715 -4.040 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.694 -3.079 -7.101 1.00 0.00 H new ATOM 243 N GLY A 39 4.027 -4.071 -5.646 1.00 0.00 N ATOM 244 CA GLY A 39 5.204 -4.900 -5.424 1.00 0.00 C ATOM 245 C GLY A 39 5.017 -5.907 -4.294 1.00 0.00 C ATOM 246 O GLY A 39 5.548 -7.012 -4.363 1.00 0.00 O ATOM 0 H GLY A 39 4.219 -3.076 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.445 -5.434 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.056 -4.259 -5.195 1.00 0.00 H new ATOM 250 N LEU A 40 4.237 -5.562 -3.271 1.00 0.00 N ATOM 251 CA LEU A 40 3.938 -6.458 -2.161 1.00 0.00 C ATOM 252 C LEU A 40 3.071 -7.630 -2.606 1.00 0.00 C ATOM 253 O LEU A 40 3.328 -8.764 -2.211 1.00 0.00 O ATOM 254 CB LEU A 40 3.219 -5.674 -1.059 1.00 0.00 C ATOM 255 CG LEU A 40 4.114 -4.667 -0.324 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.251 -3.858 0.645 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.234 -5.388 0.421 1.00 0.00 C ATOM 0 H LEU A 40 3.793 -4.647 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 40 4.878 -6.862 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.375 -5.142 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.810 -6.378 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 40 4.578 -3.994 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.875 -3.138 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.478 -3.328 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.783 -4.530 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.858 -4.657 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.803 -6.075 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.842 -5.948 -0.290 1.00 0.00 H new ATOM 269 N MET A 41 2.075 -7.369 -3.457 1.00 0.00 N ATOM 270 CA MET A 41 1.262 -8.416 -4.076 1.00 0.00 C ATOM 271 C MET A 41 2.131 -9.318 -4.968 1.00 0.00 C ATOM 272 O MET A 41 1.762 -10.460 -5.253 1.00 0.00 O ATOM 273 CB MET A 41 0.142 -7.800 -4.933 1.00 0.00 C ATOM 274 CG MET A 41 -0.678 -6.701 -4.253 1.00 0.00 C ATOM 275 SD MET A 41 -1.960 -6.025 -5.342 1.00 0.00 S ATOM 276 CE MET A 41 -2.138 -4.364 -4.661 1.00 0.00 C ATOM 0 H MET A 41 1.810 -6.424 -3.736 1.00 0.00 H new ATOM 0 HA MET A 41 0.821 -9.010 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.586 -7.390 -5.840 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.535 -8.596 -5.242 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.144 -7.103 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.013 -5.898 -3.936 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.151 -4.003 -4.842 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.947 -4.388 -3.588 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.424 -3.695 -5.141 1.00 0.00 H new ATOM 286 N LEU A 42 3.239 -8.767 -5.466 1.00 0.00 N ATOM 287 CA LEU A 42 4.119 -9.304 -6.495 1.00 0.00 C ATOM 288 C LEU A 42 5.130 -10.299 -5.946 1.00 0.00 C ATOM 289 O LEU A 42 5.466 -11.268 -6.624 1.00 0.00 O ATOM 290 CB LEU A 42 4.855 -8.117 -7.130 1.00 0.00 C ATOM 291 CG LEU A 42 4.913 -8.144 -8.656 1.00 0.00 C ATOM 292 CD1 LEU A 42 5.092 -6.704 -9.123 1.00 0.00 C ATOM 293 CD2 LEU A 42 6.048 -9.020 -9.175 1.00 0.00 C ATOM 0 H LEU A 42 3.567 -7.861 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 42 3.517 -9.848 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.368 -7.194 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.873 -8.089 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 42 3.993 -8.577 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.138 -6.678 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.249 -6.103 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.017 -6.300 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.048 -9.007 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.000 -8.637 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.908 -10.042 -8.824 1.00 0.00 H new ATOM 305 N ASP A 43 5.668 -10.023 -4.761 1.00 0.00 N ATOM 306 CA ASP A 43 6.740 -10.800 -4.143 1.00 0.00 C ATOM 307 C ASP A 43 6.694 -10.589 -2.643 1.00 0.00 C ATOM 308 O ASP A 43 7.278 -9.648 -2.100 1.00 0.00 O ATOM 309 CB ASP A 43 8.099 -10.433 -4.742 1.00 0.00 C ATOM 310 CG ASP A 43 9.250 -11.299 -4.226 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.008 -12.328 -3.552 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.415 -10.994 -4.587 1.00 0.00 O ATOM 0 H ASP A 43 5.364 -9.234 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 43 6.595 -11.861 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.045 -10.524 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.314 -9.388 -4.520 1.00 0.00 H new ATOM 317 N ASN A 44 5.951 -11.478 -1.989 1.00 0.00 N ATOM 318 CA ASN A 44 5.559 -11.369 -0.585 1.00 0.00 C ATOM 319 C ASN A 44 6.764 -11.258 0.338 1.00 0.00 C ATOM 320 O ASN A 44 6.638 -10.684 1.423 1.00 0.00 O ATOM 321 CB ASN A 44 4.752 -12.588 -0.106 1.00 0.00 C ATOM 322 CG ASN A 44 3.436 -12.825 -0.827 1.00 0.00 C ATOM 323 OD1 ASN A 44 3.387 -12.881 -2.051 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.358 -13.067 -0.102 1.00 0.00 N ATOM 0 H ASN A 44 5.593 -12.322 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 44 4.950 -10.466 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.372 -13.478 -0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.547 -12.471 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.478 -13.302 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.406 -13.019 0.916 1.00 0.00 H new ATOM 331 N GLU A 45 7.933 -11.788 -0.055 1.00 0.00 N ATOM 332 CA GLU A 45 9.097 -11.707 0.832 1.00 0.00 C ATOM 333 C GLU A 45 9.482 -10.246 1.032 1.00 0.00 C ATOM 334 O GLU A 45 9.925 -9.858 2.111 1.00 0.00 O ATOM 335 CB GLU A 45 10.290 -12.578 0.387 1.00 0.00 C ATOM 336 CG GLU A 45 11.349 -11.866 -0.474 1.00 0.00 C ATOM 337 CD GLU A 45 12.690 -12.599 -0.549 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.231 -13.018 0.504 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.285 -12.632 -1.652 1.00 0.00 O ATOM 0 H GLU A 45 8.093 -12.259 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 45 8.805 -12.133 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.778 -12.975 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.905 -13.430 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.958 -11.743 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.516 -10.866 -0.073 1.00 0.00 H new ATOM 346 N ARG A 46 9.249 -9.406 0.018 1.00 0.00 N ATOM 347 CA ARG A 46 9.687 -8.026 0.062 1.00 0.00 C ATOM 348 C ARG A 46 8.818 -7.209 1.010 1.00 0.00 C ATOM 349 O ARG A 46 9.112 -6.030 1.202 1.00 0.00 O ATOM 350 CB ARG A 46 9.830 -7.436 -1.344 1.00 0.00 C ATOM 351 CG ARG A 46 10.691 -8.342 -2.255 1.00 0.00 C ATOM 352 CD ARG A 46 11.656 -7.587 -3.172 1.00 0.00 C ATOM 353 NE ARG A 46 12.742 -6.963 -2.401 1.00 0.00 N ATOM 354 CZ ARG A 46 13.726 -6.197 -2.877 1.00 0.00 C ATOM 355 NH1 ARG A 46 13.751 -5.828 -4.155 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.672 -5.773 -2.053 1.00 0.00 N ATOM 0 H ARG A 46 8.759 -9.667 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 46 10.692 -7.986 0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.843 -7.306 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.283 -6.447 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.265 -9.025 -1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.029 -8.952 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.076 -8.274 -3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.112 -6.821 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 46 12.743 -7.134 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.011 -6.131 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.511 -5.242 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.643 -6.032 -1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.429 -5.187 -2.404 1.00 0.00 H new ATOM 370 N TRP A 47 7.793 -7.802 1.642 1.00 0.00 N ATOM 371 CA TRP A 47 7.098 -7.145 2.739 1.00 0.00 C ATOM 372 C TRP A 47 8.144 -6.757 3.773 1.00 0.00 C ATOM 373 O TRP A 47 8.074 -5.671 4.321 1.00 0.00 O ATOM 374 CB TRP A 47 6.039 -8.046 3.388 1.00 0.00 C ATOM 375 CG TRP A 47 5.423 -7.436 4.615 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.900 -7.564 5.877 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.346 -6.455 4.700 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.197 -6.736 6.729 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.257 -5.988 6.045 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.479 -5.861 3.760 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.378 -4.957 6.415 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.595 -4.830 4.124 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.548 -4.372 5.447 1.00 0.00 C ATOM 0 H TRP A 47 7.436 -8.728 1.408 1.00 0.00 H new ATOM 0 HA TRP A 47 6.570 -6.274 2.351 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.255 -8.258 2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.494 -9.000 3.653 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.709 -8.216 6.172 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.352 -6.683 7.736 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.494 -6.206 2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.341 -4.616 7.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.949 -4.389 3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.876 -3.572 5.721 1.00 0.00 H new ATOM 394 N ASP A 48 9.149 -7.596 3.999 1.00 0.00 N ATOM 395 CA ASP A 48 10.200 -7.351 4.973 1.00 0.00 C ATOM 396 C ASP A 48 11.082 -6.169 4.616 1.00 0.00 C ATOM 397 O ASP A 48 11.638 -5.526 5.508 1.00 0.00 O ATOM 398 CB ASP A 48 11.094 -8.590 5.031 1.00 0.00 C ATOM 399 CG ASP A 48 10.505 -9.735 5.850 1.00 0.00 C ATOM 400 OD1 ASP A 48 9.288 -10.023 5.753 1.00 0.00 O ATOM 401 OD2 ASP A 48 11.269 -10.372 6.612 1.00 0.00 O ATOM 0 H ASP A 48 9.256 -8.480 3.501 1.00 0.00 H new ATOM 0 HA ASP A 48 9.714 -7.132 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.281 -8.940 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.059 -8.311 5.455 1.00 0.00 H new ATOM 406 N ASP A 49 11.258 -5.911 3.324 1.00 0.00 N ATOM 407 CA ASP A 49 12.042 -4.785 2.813 1.00 0.00 C ATOM 408 C ASP A 49 11.236 -3.524 3.001 1.00 0.00 C ATOM 409 O ASP A 49 11.750 -2.481 3.402 1.00 0.00 O ATOM 410 CB ASP A 49 12.317 -4.880 1.297 1.00 0.00 C ATOM 411 CG ASP A 49 13.387 -5.857 0.850 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.563 -5.442 0.756 1.00 0.00 O ATOM 413 OD2 ASP A 49 13.044 -6.967 0.391 1.00 0.00 O ATOM 0 H ASP A 49 10.853 -6.488 2.587 1.00 0.00 H new ATOM 0 HA ASP A 49 12.989 -4.791 3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.385 -5.148 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.594 -3.888 0.940 1.00 0.00 H new ATOM 418 N VAL A 50 9.967 -3.609 2.624 1.00 0.00 N ATOM 419 CA VAL A 50 9.022 -2.528 2.684 1.00 0.00 C ATOM 420 C VAL A 50 8.814 -2.160 4.144 1.00 0.00 C ATOM 421 O VAL A 50 9.001 -1.003 4.470 1.00 0.00 O ATOM 422 CB VAL A 50 7.763 -2.966 1.932 1.00 0.00 C ATOM 423 CG1 VAL A 50 6.614 -1.977 2.155 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.048 -3.015 0.421 1.00 0.00 C ATOM 0 H VAL A 50 9.563 -4.470 2.256 1.00 0.00 H new ATOM 0 HA VAL A 50 9.367 -1.617 2.195 1.00 0.00 H new ATOM 0 HB VAL A 50 7.481 -3.949 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.733 -2.314 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.383 -1.922 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.908 -0.991 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.148 -3.327 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.348 -2.026 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.850 -3.727 0.225 1.00 0.00 H new ATOM 434 N ALA A 51 8.509 -3.093 5.037 1.00 0.00 N ATOM 435 CA ALA A 51 8.304 -2.828 6.449 1.00 0.00 C ATOM 436 C ALA A 51 9.572 -2.354 7.157 1.00 0.00 C ATOM 437 O ALA A 51 9.479 -1.726 8.212 1.00 0.00 O ATOM 438 CB ALA A 51 7.735 -4.078 7.125 1.00 0.00 C ATOM 0 H ALA A 51 8.395 -4.076 4.791 1.00 0.00 H new ATOM 0 HA ALA A 51 7.590 -2.008 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.581 -3.880 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.783 -4.340 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.435 -4.905 7.009 1.00 0.00 H new ATOM 444 N GLU A 52 10.755 -2.608 6.588 1.00 0.00 N ATOM 445 CA GLU A 52 11.987 -2.026 7.082 1.00 0.00 C ATOM 446 C GLU A 52 12.144 -0.567 6.638 1.00 0.00 C ATOM 447 O GLU A 52 12.828 0.222 7.301 1.00 0.00 O ATOM 448 CB GLU A 52 13.207 -2.857 6.666 1.00 0.00 C ATOM 449 CG GLU A 52 13.518 -3.957 7.692 1.00 0.00 C ATOM 450 CD GLU A 52 14.328 -3.446 8.890 1.00 0.00 C ATOM 451 OE1 GLU A 52 14.021 -2.371 9.462 1.00 0.00 O ATOM 452 OE2 GLU A 52 15.315 -4.119 9.268 1.00 0.00 O ATOM 0 H GLU A 52 10.875 -3.218 5.780 1.00 0.00 H new ATOM 0 HA GLU A 52 11.929 -2.036 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.025 -3.309 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.073 -2.204 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.583 -4.388 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.071 -4.758 7.202 1.00 0.00 H new ATOM 459 N ARG A 53 11.510 -0.194 5.528 1.00 0.00 N ATOM 460 CA ARG A 53 11.561 1.153 4.982 1.00 0.00 C ATOM 461 C ARG A 53 10.429 2.002 5.532 1.00 0.00 C ATOM 462 O ARG A 53 10.659 3.138 5.937 1.00 0.00 O ATOM 463 CB ARG A 53 11.452 1.119 3.443 1.00 0.00 C ATOM 464 CG ARG A 53 12.782 1.328 2.711 1.00 0.00 C ATOM 465 CD ARG A 53 13.512 0.064 2.244 1.00 0.00 C ATOM 466 NE ARG A 53 14.180 -0.657 3.335 1.00 0.00 N ATOM 467 CZ ARG A 53 15.324 -0.279 3.920 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.905 0.873 3.597 1.00 0.00 N ATOM 469 NH2 ARG A 53 15.904 -1.046 4.837 1.00 0.00 N ATOM 0 H ARG A 53 10.938 -0.833 4.976 1.00 0.00 H new ATOM 0 HA ARG A 53 12.516 1.590 5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.032 0.160 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.750 1.889 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.597 1.956 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.450 1.884 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.797 -0.603 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.252 0.337 1.492 1.00 0.00 H new ATOM 0 HE ARG A 53 13.739 -1.512 3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.479 1.480 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.776 1.149 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.478 -1.934 5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.775 -0.747 5.275 1.00 0.00 H new ATOM 483 N VAL A 54 9.217 1.472 5.549 1.00 0.00 N ATOM 484 CA VAL A 54 8.009 2.222 5.807 1.00 0.00 C ATOM 485 C VAL A 54 7.096 1.527 6.808 1.00 0.00 C ATOM 486 O VAL A 54 7.182 0.325 7.053 1.00 0.00 O ATOM 487 CB VAL A 54 7.291 2.492 4.473 1.00 0.00 C ATOM 488 CG1 VAL A 54 7.918 3.660 3.705 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.197 1.293 3.522 1.00 0.00 C ATOM 0 H VAL A 54 9.047 0.481 5.379 1.00 0.00 H new ATOM 0 HA VAL A 54 8.282 3.171 6.268 1.00 0.00 H new ATOM 0 HB VAL A 54 6.277 2.735 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.378 3.813 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.861 4.565 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.962 3.434 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.674 1.590 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.200 0.951 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.650 0.485 4.008 1.00 0.00 H new ATOM 499 N VAL A 55 6.172 2.314 7.339 1.00 0.00 N ATOM 500 CA VAL A 55 5.049 1.928 8.175 1.00 0.00 C ATOM 501 C VAL A 55 3.826 2.665 7.619 1.00 0.00 C ATOM 502 O VAL A 55 3.972 3.650 6.891 1.00 0.00 O ATOM 503 CB VAL A 55 5.351 2.291 9.645 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.269 1.268 10.315 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.984 3.677 9.796 1.00 0.00 C ATOM 0 H VAL A 55 6.192 3.322 7.182 1.00 0.00 H new ATOM 0 HA VAL A 55 4.862 0.854 8.160 1.00 0.00 H new ATOM 0 HB VAL A 55 4.379 2.290 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.453 1.566 11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.794 0.287 10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.216 1.221 9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.174 3.877 10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.924 3.710 9.245 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.305 4.432 9.400 1.00 0.00 H new ATOM 515 N ALA A 56 2.614 2.215 7.952 1.00 0.00 N ATOM 516 CA ALA A 56 1.392 2.737 7.348 1.00 0.00 C ATOM 517 C ALA A 56 1.246 4.252 7.537 1.00 0.00 C ATOM 518 O ALA A 56 0.776 4.927 6.626 1.00 0.00 O ATOM 519 CB ALA A 56 0.167 2.002 7.903 1.00 0.00 C ATOM 0 H ALA A 56 2.455 1.483 8.644 1.00 0.00 H new ATOM 0 HA ALA A 56 1.460 2.557 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.737 2.402 7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.248 0.939 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.117 2.142 8.983 1.00 0.00 H new ATOM 525 N ASP A 57 1.646 4.806 8.686 1.00 0.00 N ATOM 526 CA ASP A 57 1.430 6.225 8.994 1.00 0.00 C ATOM 527 C ASP A 57 2.277 7.152 8.113 1.00 0.00 C ATOM 528 O ASP A 57 1.945 8.339 7.985 1.00 0.00 O ATOM 529 CB ASP A 57 1.692 6.520 10.483 1.00 0.00 C ATOM 530 CG ASP A 57 0.423 6.935 11.216 1.00 0.00 C ATOM 531 OD1 ASP A 57 -0.052 8.067 10.973 1.00 0.00 O ATOM 532 OD2 ASP A 57 -0.101 6.108 12.004 1.00 0.00 O ATOM 0 H ASP A 57 2.125 4.289 9.424 1.00 0.00 H new ATOM 0 HA ASP A 57 0.382 6.431 8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.112 5.634 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.436 7.312 10.570 1.00 0.00 H new ATOM 537 N ASP A 58 3.336 6.628 7.483 1.00 0.00 N ATOM 538 CA ASP A 58 4.217 7.357 6.582 1.00 0.00 C ATOM 539 C ASP A 58 3.460 7.749 5.312 1.00 0.00 C ATOM 540 O ASP A 58 3.764 8.778 4.705 1.00 0.00 O ATOM 541 CB ASP A 58 5.428 6.490 6.184 1.00 0.00 C ATOM 542 CG ASP A 58 6.415 6.166 7.311 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.420 6.866 8.354 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.207 5.209 7.156 1.00 0.00 O ATOM 0 H ASP A 58 3.606 5.651 7.595 1.00 0.00 H new ATOM 0 HA ASP A 58 4.565 8.250 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.059 5.552 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.970 7.000 5.387 1.00 0.00 H new ATOM 549 N PHE A 59 2.463 6.956 4.910 1.00 0.00 N ATOM 550 CA PHE A 59 1.642 7.201 3.741 1.00 0.00 C ATOM 551 C PHE A 59 0.570 8.222 4.121 1.00 0.00 C ATOM 552 O PHE A 59 -0.297 7.960 4.958 1.00 0.00 O ATOM 553 CB PHE A 59 1.011 5.890 3.247 1.00 0.00 C ATOM 554 CG PHE A 59 1.995 4.823 2.796 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.644 4.016 3.749 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.246 4.608 1.426 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.537 3.012 3.345 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.121 3.582 1.021 1.00 0.00 C ATOM 559 CZ PHE A 59 3.769 2.786 1.979 1.00 0.00 C ATOM 0 H PHE A 59 2.205 6.105 5.409 1.00 0.00 H new ATOM 0 HA PHE A 59 2.248 7.595 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.396 5.478 4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.343 6.118 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.453 4.171 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.766 5.231 0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.046 2.413 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.294 3.407 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.443 2.003 1.666 1.00 0.00 H new ATOM 569 N TYR A 60 0.591 9.393 3.492 1.00 0.00 N ATOM 570 CA TYR A 60 -0.509 10.346 3.616 1.00 0.00 C ATOM 571 C TYR A 60 -1.763 9.834 2.896 1.00 0.00 C ATOM 572 O TYR A 60 -2.891 10.180 3.256 1.00 0.00 O ATOM 573 CB TYR A 60 -0.079 11.693 3.039 1.00 0.00 C ATOM 574 CG TYR A 60 -1.237 12.606 2.693 1.00 0.00 C ATOM 575 CD1 TYR A 60 -1.942 13.278 3.708 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.657 12.709 1.354 1.00 0.00 C ATOM 577 CE1 TYR A 60 -3.063 14.060 3.386 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.791 13.467 1.030 1.00 0.00 C ATOM 579 CZ TYR A 60 -3.509 14.130 2.049 1.00 0.00 C ATOM 580 OH TYR A 60 -4.647 14.808 1.748 1.00 0.00 O ATOM 0 H TYR A 60 1.355 9.705 2.893 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.755 10.464 4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.567 12.197 3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.516 11.521 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.621 13.192 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.105 12.204 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.582 14.606 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.115 13.544 0.003 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.811 14.759 0.783 1.00 0.00 H new ATOM 590 N THR A 61 -1.594 8.981 1.892 1.00 0.00 N ATOM 591 CA THR A 61 -2.631 8.585 0.959 1.00 0.00 C ATOM 592 C THR A 61 -3.621 7.649 1.634 1.00 0.00 C ATOM 593 O THR A 61 -3.303 6.511 1.972 1.00 0.00 O ATOM 594 CB THR A 61 -2.011 7.938 -0.286 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.593 7.976 -0.221 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.518 8.586 -1.572 1.00 0.00 C ATOM 0 H THR A 61 -0.698 8.533 1.703 1.00 0.00 H new ATOM 0 HA THR A 61 -3.175 9.473 0.638 1.00 0.00 H new ATOM 0 HB THR A 61 -2.325 6.894 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.219 7.342 -0.868 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.056 8.100 -2.431 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.601 8.476 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.260 9.645 -1.572 1.00 0.00 H new ATOM 604 N ARG A 62 -4.850 8.136 1.778 1.00 0.00 N ATOM 605 CA ARG A 62 -5.996 7.426 2.322 1.00 0.00 C ATOM 606 C ARG A 62 -6.087 5.963 1.843 1.00 0.00 C ATOM 607 O ARG A 62 -6.148 5.081 2.700 1.00 0.00 O ATOM 608 CB ARG A 62 -7.237 8.294 2.033 1.00 0.00 C ATOM 609 CG ARG A 62 -8.286 8.331 3.139 1.00 0.00 C ATOM 610 CD ARG A 62 -9.023 7.002 3.286 1.00 0.00 C ATOM 611 NE ARG A 62 -10.367 7.230 3.826 1.00 0.00 N ATOM 612 CZ ARG A 62 -11.462 7.520 3.112 1.00 0.00 C ATOM 613 NH1 ARG A 62 -11.422 7.614 1.783 1.00 0.00 N ATOM 614 NH2 ARG A 62 -12.605 7.718 3.749 1.00 0.00 N ATOM 0 H ARG A 62 -5.082 9.090 1.502 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.902 7.299 3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.907 9.314 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.709 7.929 1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.805 8.583 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.006 9.121 2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.091 6.505 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.465 6.338 3.946 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.478 7.161 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.543 7.464 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.270 7.836 1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.641 7.649 4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.450 7.940 3.223 1.00 0.00 H new ATOM 628 N PRO A 63 -6.069 5.632 0.534 1.00 0.00 N ATOM 629 CA PRO A 63 -6.122 4.239 0.097 1.00 0.00 C ATOM 630 C PRO A 63 -4.793 3.506 0.315 1.00 0.00 C ATOM 631 O PRO A 63 -4.811 2.312 0.597 1.00 0.00 O ATOM 632 CB PRO A 63 -6.490 4.291 -1.386 1.00 0.00 C ATOM 633 CG PRO A 63 -5.908 5.622 -1.851 1.00 0.00 C ATOM 634 CD PRO A 63 -6.101 6.515 -0.627 1.00 0.00 C ATOM 0 HA PRO A 63 -6.852 3.677 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.062 3.452 -1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.569 4.252 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.857 5.531 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.433 6.011 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.314 7.266 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.049 7.051 -0.682 1.00 0.00 H new ATOM 642 N HIS A 64 -3.642 4.179 0.212 1.00 0.00 N ATOM 643 CA HIS A 64 -2.360 3.520 0.441 1.00 0.00 C ATOM 644 C HIS A 64 -2.251 3.083 1.909 1.00 0.00 C ATOM 645 O HIS A 64 -1.768 1.982 2.172 1.00 0.00 O ATOM 646 CB HIS A 64 -1.176 4.404 -0.001 1.00 0.00 C ATOM 647 CG HIS A 64 -1.089 4.703 -1.493 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.121 5.469 -2.122 1.00 0.00 N ATOM 649 CD2 HIS A 64 -1.914 4.228 -2.481 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.370 5.467 -3.447 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.460 4.727 -3.703 1.00 0.00 N ATOM 0 H HIS A 64 -3.575 5.169 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.312 2.625 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.234 5.350 0.537 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.250 3.918 0.307 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.650 5.953 -1.661 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.767 3.581 -2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.219 5.983 -4.191 1.00 0.00 H new ATOM 659 N ARG A 65 -2.775 3.875 2.859 1.00 0.00 N ATOM 660 CA ARG A 65 -2.826 3.493 4.265 1.00 0.00 C ATOM 661 C ARG A 65 -3.668 2.256 4.429 1.00 0.00 C ATOM 662 O ARG A 65 -3.186 1.304 5.030 1.00 0.00 O ATOM 663 CB ARG A 65 -3.387 4.598 5.168 1.00 0.00 C ATOM 664 CG ARG A 65 -2.338 5.672 5.453 1.00 0.00 C ATOM 665 CD ARG A 65 -2.621 6.367 6.786 1.00 0.00 C ATOM 666 NE ARG A 65 -3.851 7.168 6.697 1.00 0.00 N ATOM 667 CZ ARG A 65 -5.009 6.998 7.339 1.00 0.00 C ATOM 668 NH1 ARG A 65 -5.158 6.089 8.296 1.00 0.00 N ATOM 669 NH2 ARG A 65 -6.024 7.773 6.984 1.00 0.00 N ATOM 0 H ARG A 65 -3.172 4.795 2.666 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.797 3.307 4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.256 5.053 4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.729 4.164 6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.346 5.221 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.335 6.407 4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.720 5.624 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.781 7.008 7.055 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.814 7.962 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.373 5.494 8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.057 5.986 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.902 8.466 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.927 7.676 7.449 1.00 0.00 H new ATOM 683 N HIS A 66 -4.904 2.262 3.931 1.00 0.00 N ATOM 684 CA HIS A 66 -5.780 1.108 3.957 1.00 0.00 C ATOM 685 C HIS A 66 -5.069 -0.157 3.490 1.00 0.00 C ATOM 686 O HIS A 66 -5.096 -1.159 4.198 1.00 0.00 O ATOM 687 CB HIS A 66 -6.972 1.385 3.042 1.00 0.00 C ATOM 688 CG HIS A 66 -8.054 2.220 3.627 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.835 1.789 4.646 1.00 0.00 N flip ATOM 690 CD2 HIS A 66 -8.590 3.383 3.131 1.00 0.00 C flip ATOM 691 CE1 HIS A 66 -9.853 2.729 4.824 1.00 0.00 C flip ATOM 692 NE2 HIS A 66 -9.676 3.659 3.867 1.00 0.00 N flip ATOM 0 H HIS A 66 -5.324 3.083 3.494 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.104 0.943 4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.607 1.876 2.140 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.400 0.431 2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.209 3.965 2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.626 2.713 5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.285 4.464 3.722 1.00 0.00 H new ATOM 700 N ILE A 67 -4.439 -0.115 2.318 1.00 0.00 N ATOM 701 CA ILE A 67 -3.783 -1.280 1.747 1.00 0.00 C ATOM 702 C ILE A 67 -2.665 -1.732 2.685 1.00 0.00 C ATOM 703 O ILE A 67 -2.653 -2.898 3.067 1.00 0.00 O ATOM 704 CB ILE A 67 -3.319 -0.965 0.312 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.569 -0.738 -0.567 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.469 -2.112 -0.263 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.250 -0.095 -1.911 1.00 0.00 C ATOM 0 H ILE A 67 -4.371 0.725 1.743 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.472 -2.120 1.658 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.697 -0.070 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.064 -1.694 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.274 -0.106 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.156 -1.861 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.588 -2.261 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.059 -3.028 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.171 0.037 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.782 0.876 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.568 -0.737 -2.469 1.00 0.00 H new ATOM 719 N PHE A 68 -1.773 -0.830 3.106 1.00 0.00 N ATOM 720 CA PHE A 68 -0.692 -1.176 4.023 1.00 0.00 C ATOM 721 C PHE A 68 -1.245 -1.755 5.330 1.00 0.00 C ATOM 722 O PHE A 68 -0.692 -2.709 5.865 1.00 0.00 O ATOM 723 CB PHE A 68 0.182 0.059 4.294 1.00 0.00 C ATOM 724 CG PHE A 68 1.612 -0.269 4.684 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.937 -0.722 5.979 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.632 -0.129 3.727 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.273 -1.006 6.315 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.965 -0.415 4.063 1.00 0.00 C ATOM 729 CZ PHE A 68 4.290 -0.850 5.359 1.00 0.00 C ATOM 0 H PHE A 68 -1.782 0.150 2.822 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.074 -1.944 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.194 0.685 3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.275 0.647 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.158 -0.851 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.389 0.200 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.517 -1.345 7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.743 -0.300 3.323 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.316 -1.063 5.619 1.00 0.00 H new ATOM 739 N THR A 69 -2.349 -1.204 5.836 1.00 0.00 N ATOM 740 CA THR A 69 -2.989 -1.618 7.073 1.00 0.00 C ATOM 741 C THR A 69 -3.510 -3.043 6.947 1.00 0.00 C ATOM 742 O THR A 69 -3.300 -3.837 7.866 1.00 0.00 O ATOM 743 CB THR A 69 -4.116 -0.613 7.391 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.573 0.686 7.553 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.924 -0.942 8.640 1.00 0.00 C ATOM 0 H THR A 69 -2.834 -0.433 5.377 1.00 0.00 H new ATOM 0 HA THR A 69 -2.274 -1.618 7.896 1.00 0.00 H new ATOM 0 HB THR A 69 -4.796 -0.671 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.647 1.179 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.693 -0.183 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.395 -1.918 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.263 -0.960 9.507 1.00 0.00 H new ATOM 753 N GLU A 70 -4.200 -3.371 5.856 1.00 0.00 N ATOM 754 CA GLU A 70 -4.830 -4.668 5.727 1.00 0.00 C ATOM 755 C GLU A 70 -3.809 -5.718 5.278 1.00 0.00 C ATOM 756 O GLU A 70 -3.901 -6.863 5.702 1.00 0.00 O ATOM 757 CB GLU A 70 -6.067 -4.554 4.821 1.00 0.00 C ATOM 758 CG GLU A 70 -7.204 -5.475 5.291 1.00 0.00 C ATOM 759 CD GLU A 70 -7.763 -5.043 6.656 1.00 0.00 C ATOM 760 OE1 GLU A 70 -8.675 -4.190 6.716 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.300 -5.564 7.696 1.00 0.00 O ATOM 0 H GLU A 70 -4.332 -2.753 5.055 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.192 -5.015 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.416 -3.521 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.793 -4.808 3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.005 -5.469 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.838 -6.500 5.356 1.00 0.00 H new ATOM 768 N MET A 71 -2.777 -5.337 4.516 1.00 0.00 N ATOM 769 CA MET A 71 -1.636 -6.205 4.233 1.00 0.00 C ATOM 770 C MET A 71 -0.896 -6.531 5.531 1.00 0.00 C ATOM 771 O MET A 71 -0.639 -7.704 5.801 1.00 0.00 O ATOM 772 CB MET A 71 -0.672 -5.549 3.239 1.00 0.00 C ATOM 773 CG MET A 71 -1.188 -5.539 1.800 1.00 0.00 C ATOM 774 SD MET A 71 0.012 -4.801 0.666 1.00 0.00 S ATOM 775 CE MET A 71 -0.625 -5.347 -0.933 1.00 0.00 C ATOM 0 H MET A 71 -2.713 -4.417 4.080 1.00 0.00 H new ATOM 0 HA MET A 71 -2.014 -7.124 3.786 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.481 -4.523 3.554 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.282 -6.075 3.270 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.407 -6.559 1.485 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.124 -4.982 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.180 -5.337 -1.668 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.020 -6.359 -0.841 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.420 -4.675 -1.256 1.00 0.00 H new ATOM 785 N ALA A 72 -0.594 -5.520 6.359 1.00 0.00 N ATOM 786 CA ALA A 72 0.031 -5.730 7.658 1.00 0.00 C ATOM 787 C ALA A 72 -0.834 -6.669 8.489 1.00 0.00 C ATOM 788 O ALA A 72 -0.329 -7.656 9.010 1.00 0.00 O ATOM 789 CB ALA A 72 0.249 -4.401 8.394 1.00 0.00 C ATOM 0 H ALA A 72 -0.778 -4.541 6.141 1.00 0.00 H new ATOM 0 HA ALA A 72 1.011 -6.181 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.717 -4.592 9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.896 -3.757 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.711 -3.908 8.547 1.00 0.00 H new ATOM 795 N ARG A 73 -2.139 -6.398 8.576 1.00 0.00 N ATOM 796 CA ARG A 73 -3.083 -7.235 9.310 1.00 0.00 C ATOM 797 C ARG A 73 -3.102 -8.667 8.796 1.00 0.00 C ATOM 798 O ARG A 73 -3.225 -9.590 9.602 1.00 0.00 O ATOM 799 CB ARG A 73 -4.477 -6.626 9.186 1.00 0.00 C ATOM 800 CG ARG A 73 -5.579 -7.375 9.931 1.00 0.00 C ATOM 801 CD ARG A 73 -5.483 -7.352 11.461 1.00 0.00 C ATOM 802 NE ARG A 73 -6.839 -7.323 12.034 1.00 0.00 N ATOM 803 CZ ARG A 73 -7.818 -8.188 11.745 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.529 -9.402 11.280 1.00 0.00 N ATOM 805 NH2 ARG A 73 -9.080 -7.821 11.909 1.00 0.00 N ATOM 0 H ARG A 73 -2.570 -5.585 8.135 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.767 -7.270 10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.443 -5.601 9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.742 -6.577 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.541 -6.953 9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.574 -8.414 9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.945 -8.231 11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.919 -6.479 11.788 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.049 -6.584 12.705 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.557 -9.677 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.280 -10.057 11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.299 -6.886 12.253 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.833 -8.473 11.691 1.00 0.00 H new ATOM 819 N LEU A 74 -3.053 -8.882 7.483 1.00 0.00 N ATOM 820 CA LEU A 74 -3.042 -10.200 6.893 1.00 0.00 C ATOM 821 C LEU A 74 -1.776 -10.919 7.327 1.00 0.00 C ATOM 822 O LEU A 74 -1.880 -11.998 7.900 1.00 0.00 O ATOM 823 CB LEU A 74 -3.158 -10.076 5.367 1.00 0.00 C ATOM 824 CG LEU A 74 -4.616 -9.903 4.903 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.670 -9.342 3.482 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.382 -11.232 4.938 1.00 0.00 C ATOM 0 H LEU A 74 -3.020 -8.128 6.797 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.893 -10.790 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.568 -9.224 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.733 -10.964 4.899 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.087 -9.204 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.710 -9.228 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.175 -8.371 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.164 -10.026 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.407 -11.070 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.895 -11.950 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.389 -11.621 5.956 1.00 0.00 H new ATOM 838 N GLN A 75 -0.603 -10.319 7.152 1.00 0.00 N ATOM 839 CA GLN A 75 0.662 -10.920 7.555 1.00 0.00 C ATOM 840 C GLN A 75 0.694 -11.194 9.062 1.00 0.00 C ATOM 841 O GLN A 75 1.137 -12.253 9.502 1.00 0.00 O ATOM 842 CB GLN A 75 1.772 -9.943 7.144 1.00 0.00 C ATOM 843 CG GLN A 75 3.204 -10.485 7.246 1.00 0.00 C ATOM 844 CD GLN A 75 3.595 -11.602 6.275 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.801 -12.128 5.495 1.00 0.00 O ATOM 846 NE2 GLN A 75 4.851 -12.007 6.340 1.00 0.00 N ATOM 0 H GLN A 75 -0.504 -9.398 6.725 1.00 0.00 H new ATOM 0 HA GLN A 75 0.799 -11.885 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.593 -9.630 6.115 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.695 -9.051 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.892 -9.653 7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.356 -10.850 8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.497 -11.562 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.174 -12.765 5.739 1.00 0.00 H new ATOM 855 N GLU A 76 0.163 -10.270 9.855 1.00 0.00 N ATOM 856 CA GLU A 76 -0.045 -10.378 11.302 1.00 0.00 C ATOM 857 C GLU A 76 -1.004 -11.528 11.654 1.00 0.00 C ATOM 858 O GLU A 76 -0.885 -12.134 12.722 1.00 0.00 O ATOM 859 CB GLU A 76 -0.578 -9.019 11.801 1.00 0.00 C ATOM 860 CG GLU A 76 -0.950 -8.887 13.285 1.00 0.00 C ATOM 861 CD GLU A 76 0.258 -8.654 14.189 1.00 0.00 C ATOM 862 OE1 GLU A 76 0.847 -7.550 14.140 1.00 0.00 O ATOM 863 OE2 GLU A 76 0.571 -9.537 15.022 1.00 0.00 O ATOM 0 H GLU A 76 -0.153 -9.372 9.488 1.00 0.00 H new ATOM 0 HA GLU A 76 0.897 -10.614 11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.175 -8.264 11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.462 -8.771 11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.651 -8.061 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.466 -9.792 13.605 1.00 0.00 H new ATOM 870 N SER A 77 -1.932 -11.872 10.759 1.00 0.00 N ATOM 871 CA SER A 77 -2.788 -13.043 10.891 1.00 0.00 C ATOM 872 C SER A 77 -2.104 -14.317 10.379 1.00 0.00 C ATOM 873 O SER A 77 -2.683 -15.394 10.509 1.00 0.00 O ATOM 874 CB SER A 77 -4.082 -12.856 10.123 1.00 0.00 C ATOM 875 OG SER A 77 -4.744 -11.616 10.335 1.00 0.00 O ATOM 0 H SER A 77 -2.109 -11.334 9.911 1.00 0.00 H new ATOM 0 HA SER A 77 -2.994 -13.154 11.956 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.871 -12.958 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.764 -13.663 10.392 1.00 0.00 H new ATOM 0 HG SER A 77 -4.159 -10.881 10.057 1.00 0.00 H new ATOM 881 N GLY A 78 -0.923 -14.229 9.761 1.00 0.00 N ATOM 882 CA GLY A 78 -0.321 -15.346 9.044 1.00 0.00 C ATOM 883 C GLY A 78 -1.140 -15.680 7.798 1.00 0.00 C ATOM 884 O GLY A 78 -1.329 -16.854 7.468 1.00 0.00 O ATOM 0 H GLY A 78 -0.360 -13.378 9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.701 -15.096 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.266 -16.218 9.696 1.00 0.00 H new ATOM 888 N SER A 79 -1.665 -14.656 7.128 1.00 0.00 N ATOM 889 CA SER A 79 -2.440 -14.738 5.896 1.00 0.00 C ATOM 890 C SER A 79 -1.636 -14.058 4.782 1.00 0.00 C ATOM 891 O SER A 79 -0.830 -13.173 5.086 1.00 0.00 O ATOM 892 CB SER A 79 -3.795 -14.042 6.091 1.00 0.00 C ATOM 893 OG SER A 79 -4.524 -14.548 7.202 1.00 0.00 O ATOM 0 H SER A 79 -1.554 -13.695 7.450 1.00 0.00 H new ATOM 0 HA SER A 79 -2.630 -15.777 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.632 -12.973 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.392 -14.161 5.187 1.00 0.00 H new ATOM 0 HG SER A 79 -5.375 -14.069 7.280 1.00 0.00 H new ATOM 899 N PRO A 80 -1.805 -14.450 3.511 1.00 0.00 N ATOM 900 CA PRO A 80 -1.020 -13.876 2.432 1.00 0.00 C ATOM 901 C PRO A 80 -1.445 -12.440 2.157 1.00 0.00 C ATOM 902 O PRO A 80 -2.612 -12.081 2.325 1.00 0.00 O ATOM 903 CB PRO A 80 -1.293 -14.748 1.208 1.00 0.00 C ATOM 904 CG PRO A 80 -2.671 -15.329 1.482 1.00 0.00 C ATOM 905 CD PRO A 80 -2.707 -15.470 3.003 1.00 0.00 C ATOM 0 HA PRO A 80 0.040 -13.852 2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.280 -14.163 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.543 -15.531 1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.462 -14.671 1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.806 -16.291 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.717 -15.326 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.387 -16.465 3.312 1.00 0.00 H new ATOM 913 N ILE A 81 -0.514 -11.671 1.602 1.00 0.00 N ATOM 914 CA ILE A 81 -0.747 -10.333 1.062 1.00 0.00 C ATOM 915 C ILE A 81 -0.980 -10.393 -0.460 1.00 0.00 C ATOM 916 O ILE A 81 -0.745 -9.423 -1.179 1.00 0.00 O ATOM 917 CB ILE A 81 0.371 -9.371 1.528 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.752 -9.740 0.945 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.396 -9.329 3.072 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.865 -8.806 1.417 1.00 0.00 C ATOM 0 H ILE A 81 0.457 -11.971 1.512 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.670 -9.913 1.462 1.00 0.00 H new ATOM 0 HB ILE A 81 0.147 -8.375 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.999 -10.763 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.700 -9.714 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.183 -8.652 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.567 -8.976 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.590 -10.329 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.812 -9.115 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.638 -7.785 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.941 -8.850 2.503 1.00 0.00 H new ATOM 932 N ASP A 82 -1.491 -11.532 -0.941 1.00 0.00 N ATOM 933 CA ASP A 82 -1.918 -11.732 -2.327 1.00 0.00 C ATOM 934 C ASP A 82 -3.070 -10.794 -2.658 1.00 0.00 C ATOM 935 O ASP A 82 -3.920 -10.577 -1.796 1.00 0.00 O ATOM 936 CB ASP A 82 -2.454 -13.170 -2.469 1.00 0.00 C ATOM 937 CG ASP A 82 -2.229 -13.859 -3.808 1.00 0.00 C ATOM 938 OD1 ASP A 82 -1.478 -13.346 -4.664 1.00 0.00 O ATOM 939 OD2 ASP A 82 -2.850 -14.937 -3.974 1.00 0.00 O ATOM 0 H ASP A 82 -1.622 -12.360 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.073 -11.545 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.996 -13.781 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.526 -13.154 -2.271 1.00 0.00 H new ATOM 944 N LEU A 83 -3.156 -10.293 -3.895 1.00 0.00 N ATOM 945 CA LEU A 83 -4.217 -9.367 -4.315 1.00 0.00 C ATOM 946 C LEU A 83 -5.589 -9.928 -3.963 1.00 0.00 C ATOM 947 O LEU A 83 -6.429 -9.234 -3.394 1.00 0.00 O ATOM 948 CB LEU A 83 -4.143 -9.052 -5.816 1.00 0.00 C ATOM 949 CG LEU A 83 -5.370 -8.290 -6.345 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.700 -7.032 -5.572 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.132 -7.788 -7.761 1.00 0.00 C ATOM 0 H LEU A 83 -2.491 -10.518 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.064 -8.434 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.247 -8.463 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.038 -9.985 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.176 -9.019 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.577 -6.556 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.906 -7.287 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.854 -6.346 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.015 -7.253 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.274 -7.116 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.937 -8.635 -8.419 1.00 0.00 H new ATOM 963 N ILE A 84 -5.839 -11.184 -4.313 1.00 0.00 N ATOM 964 CA ILE A 84 -7.149 -11.763 -4.154 1.00 0.00 C ATOM 965 C ILE A 84 -7.492 -11.809 -2.666 1.00 0.00 C ATOM 966 O ILE A 84 -8.520 -11.282 -2.254 1.00 0.00 O ATOM 967 CB ILE A 84 -7.141 -13.120 -4.875 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.465 -13.053 -6.269 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.561 -13.679 -4.988 1.00 0.00 C ATOM 970 CD1 ILE A 84 -7.145 -12.107 -7.266 1.00 0.00 C ATOM 0 H ILE A 84 -5.143 -11.816 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.945 -11.173 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.541 -13.797 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.429 -12.740 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.444 -14.056 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.534 -14.640 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.980 -13.812 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.182 -12.983 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.604 -12.125 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.173 -12.429 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.142 -11.093 -6.866 1.00 0.00 H new ATOM 982 N THR A 85 -6.590 -12.334 -1.843 1.00 0.00 N ATOM 983 CA THR A 85 -6.771 -12.405 -0.408 1.00 0.00 C ATOM 984 C THR A 85 -6.879 -11.025 0.247 1.00 0.00 C ATOM 985 O THR A 85 -7.629 -10.865 1.210 1.00 0.00 O ATOM 986 CB THR A 85 -5.656 -13.260 0.208 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.535 -14.477 -0.515 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.999 -13.591 1.663 1.00 0.00 C ATOM 0 H THR A 85 -5.704 -12.725 -2.163 1.00 0.00 H new ATOM 0 HA THR A 85 -7.729 -12.887 -0.210 1.00 0.00 H new ATOM 0 HB THR A 85 -4.720 -12.703 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.376 -15.215 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.204 -14.198 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.100 -12.667 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.938 -14.144 1.699 1.00 0.00 H new ATOM 996 N LEU A 86 -6.166 -10.030 -0.272 1.00 0.00 N ATOM 997 CA LEU A 86 -6.210 -8.641 0.158 1.00 0.00 C ATOM 998 C LEU A 86 -7.602 -8.091 -0.051 1.00 0.00 C ATOM 999 O LEU A 86 -8.218 -7.599 0.891 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.187 -7.826 -0.641 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.204 -6.317 -0.356 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.785 -5.997 1.083 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.283 -5.637 -1.370 1.00 0.00 C ATOM 0 H LEU A 86 -5.512 -10.180 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.962 -8.575 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.190 -8.211 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.368 -7.983 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.221 -5.939 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.812 -4.918 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.471 -6.481 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.773 -6.364 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.276 -4.562 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.272 -6.030 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.644 -5.834 -2.379 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.082 -8.161 -1.288 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.407 -7.683 -1.632 1.00 0.00 C ATOM 1017 C ALA A 87 -10.479 -8.400 -0.808 1.00 0.00 C ATOM 1018 O ALA A 87 -11.380 -7.755 -0.280 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.648 -7.887 -3.118 1.00 0.00 C ATOM 0 H ALA A 87 -7.562 -8.550 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.469 -6.620 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.644 -7.528 -3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.902 -7.332 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.571 -8.948 -3.357 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.375 -9.721 -0.684 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.287 -10.566 0.081 1.00 0.00 C ATOM 1027 C GLU A 88 -11.222 -10.279 1.586 1.00 0.00 C ATOM 1028 O GLU A 88 -12.192 -10.517 2.310 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.022 -12.041 -0.256 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.416 -12.349 -1.714 1.00 0.00 C ATOM 1031 CD GLU A 88 -10.995 -13.734 -2.209 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -10.108 -14.389 -1.610 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -11.560 -14.192 -3.233 1.00 0.00 O ATOM 0 H GLU A 88 -9.626 -10.251 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.311 -10.329 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.967 -12.270 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.588 -12.681 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.498 -12.256 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.972 -11.595 -2.364 1.00 0.00 H new ATOM 1040 N SER A 89 -10.096 -9.768 2.084 1.00 0.00 N ATOM 1041 CA SER A 89 -10.005 -9.249 3.431 1.00 0.00 C ATOM 1042 C SER A 89 -10.806 -7.952 3.478 1.00 0.00 C ATOM 1043 O SER A 89 -11.767 -7.826 4.238 1.00 0.00 O ATOM 1044 CB SER A 89 -8.534 -9.036 3.810 1.00 0.00 C ATOM 1045 OG SER A 89 -8.393 -8.912 5.204 1.00 0.00 O ATOM 0 H SER A 89 -9.225 -9.706 1.557 1.00 0.00 H new ATOM 0 HA SER A 89 -10.417 -9.950 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.936 -9.874 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.153 -8.140 3.320 1.00 0.00 H new ATOM 0 HG SER A 89 -7.448 -8.779 5.427 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.425 -6.998 2.628 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.959 -5.650 2.595 1.00 0.00 C ATOM 1053 C LEU A 90 -12.476 -5.665 2.450 1.00 0.00 C ATOM 1054 O LEU A 90 -13.133 -4.872 3.111 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.313 -4.857 1.452 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.872 -4.395 1.747 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.194 -4.041 0.424 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.822 -3.165 2.668 1.00 0.00 C ATOM 0 H LEU A 90 -9.708 -7.156 1.920 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.721 -5.162 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.309 -5.473 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.927 -3.983 1.237 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.361 -5.211 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.173 -3.712 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.177 -4.918 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.748 -3.240 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.784 -2.883 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.349 -2.336 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.298 -3.403 3.619 1.00 0.00 H new ATOM 1070 N GLU A 91 -13.067 -6.509 1.604 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.522 -6.568 1.475 1.00 0.00 C ATOM 1072 C GLU A 91 -15.227 -7.080 2.731 1.00 0.00 C ATOM 1073 O GLU A 91 -16.292 -6.558 3.078 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.949 -7.337 0.213 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.484 -8.799 0.150 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.620 -9.809 0.292 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.311 -9.837 1.336 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -15.831 -10.618 -0.641 1.00 0.00 O ATOM 0 H GLU A 91 -12.563 -7.158 1.000 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.855 -5.537 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.037 -7.315 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.564 -6.812 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.975 -8.969 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.753 -8.973 0.940 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.662 -8.047 3.460 1.00 0.00 N ATOM 1086 CA ARG A 92 -15.215 -8.452 4.755 1.00 0.00 C ATOM 1087 C ARG A 92 -15.075 -7.311 5.758 1.00 0.00 C ATOM 1088 O ARG A 92 -15.970 -7.077 6.575 1.00 0.00 O ATOM 1089 CB ARG A 92 -14.511 -9.721 5.251 1.00 0.00 C ATOM 1090 CG ARG A 92 -14.858 -10.929 4.365 1.00 0.00 C ATOM 1091 CD ARG A 92 -14.227 -12.214 4.905 1.00 0.00 C ATOM 1092 NE ARG A 92 -12.758 -12.217 4.760 1.00 0.00 N ATOM 1093 CZ ARG A 92 -11.882 -12.777 5.606 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -12.297 -13.354 6.733 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -10.582 -12.750 5.345 1.00 0.00 N ATOM 0 H ARG A 92 -13.827 -8.561 3.178 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.276 -8.677 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.432 -9.565 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.805 -9.925 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.940 -11.046 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.509 -10.749 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.487 -12.330 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.644 -13.071 4.377 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.374 -11.749 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.291 -13.373 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.620 -13.777 7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.242 -12.301 4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.922 -13.179 5.994 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.982 -6.556 5.662 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.736 -5.361 6.451 1.00 0.00 C ATOM 1111 C GLN A 93 -14.601 -4.179 5.960 1.00 0.00 C ATOM 1112 O GLN A 93 -14.698 -3.180 6.664 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.228 -5.041 6.416 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.324 -6.186 6.925 1.00 0.00 C ATOM 1115 CD GLN A 93 -11.149 -6.186 8.439 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.866 -6.883 9.156 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -10.182 -5.446 8.950 1.00 0.00 N ATOM 0 H GLN A 93 -13.224 -6.769 5.013 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.027 -5.537 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.944 -4.797 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.043 -4.152 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.749 -7.141 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.345 -6.104 6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.599 -4.875 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.018 -5.445 9.957 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.276 -4.255 4.804 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.061 -3.142 4.264 1.00 0.00 C ATOM 1128 C GLY A 94 -15.191 -1.990 3.750 1.00 0.00 C ATOM 1129 O GLY A 94 -15.689 -0.879 3.552 1.00 0.00 O ATOM 0 H GLY A 94 -15.291 -5.091 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.688 -3.508 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.730 -2.767 5.038 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.899 -2.245 3.538 1.00 0.00 N ATOM 1134 CA GLN A 95 -12.884 -1.284 3.132 1.00 0.00 C ATOM 1135 C GLN A 95 -12.499 -1.455 1.653 1.00 0.00 C ATOM 1136 O GLN A 95 -11.646 -0.708 1.173 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.648 -1.396 4.059 1.00 0.00 C ATOM 1138 CG GLN A 95 -11.627 -0.414 5.240 1.00 0.00 C ATOM 1139 CD GLN A 95 -12.684 -0.688 6.301 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -13.800 -0.179 6.208 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -12.351 -1.446 7.332 1.00 0.00 N ATOM 0 H GLN A 95 -13.516 -3.183 3.653 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.301 -0.282 3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.598 -2.412 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.750 -1.240 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.643 -0.447 5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.765 0.598 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.418 -1.856 7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.027 -1.621 8.076 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.102 -2.392 0.908 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.785 -2.588 -0.510 1.00 0.00 C ATOM 1152 C LEU A 96 -13.137 -1.338 -1.315 1.00 0.00 C ATOM 1153 O LEU A 96 -12.370 -0.916 -2.174 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.472 -3.834 -1.079 1.00 0.00 C ATOM 1155 CG LEU A 96 -13.071 -4.114 -2.543 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.558 -4.313 -2.726 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.775 -5.382 -3.012 1.00 0.00 C ATOM 0 H LEU A 96 -13.814 -3.027 1.267 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.711 -2.754 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.218 -4.698 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.553 -3.708 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.365 -3.242 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.341 -4.506 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.031 -3.414 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.227 -5.160 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.499 -5.590 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.476 -6.219 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.854 -5.245 -2.945 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.259 -0.687 -1.019 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.568 0.609 -1.623 1.00 0.00 C ATOM 1171 C ASP A 97 -13.590 1.672 -1.129 1.00 0.00 C ATOM 1172 O ASP A 97 -13.136 2.527 -1.892 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.007 1.025 -1.309 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.859 0.932 -2.562 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.859 1.893 -3.361 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.530 -0.106 -2.772 1.00 0.00 O ATOM 0 H ASP A 97 -14.966 -1.031 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.467 0.515 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.419 0.382 -0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.024 2.044 -0.923 1.00 0.00 H new ATOM 1181 N SER A 98 -13.224 1.609 0.150 1.00 0.00 N ATOM 1182 CA SER A 98 -12.386 2.592 0.819 1.00 0.00 C ATOM 1183 C SER A 98 -10.953 2.640 0.264 1.00 0.00 C ATOM 1184 O SER A 98 -10.335 3.707 0.306 1.00 0.00 O ATOM 1185 CB SER A 98 -12.422 2.326 2.324 1.00 0.00 C ATOM 1186 OG SER A 98 -13.765 2.147 2.763 1.00 0.00 O ATOM 0 H SER A 98 -13.513 0.848 0.764 1.00 0.00 H new ATOM 0 HA SER A 98 -12.789 3.585 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.835 1.438 2.557 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.966 3.159 2.858 1.00 0.00 H new ATOM 0 HG SER A 98 -13.774 1.976 3.728 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.458 1.570 -0.368 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.166 1.576 -1.063 1.00 0.00 C ATOM 1194 C VAL A 99 -9.273 2.131 -2.488 1.00 0.00 C ATOM 1195 O VAL A 99 -8.257 2.243 -3.163 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.530 0.167 -1.079 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.113 -0.226 0.336 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.433 -0.916 -1.665 1.00 0.00 C ATOM 0 H VAL A 99 -10.943 0.674 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.515 2.245 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.663 0.233 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.665 -1.220 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.387 0.493 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.989 -0.233 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.915 -1.875 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.349 -0.984 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.681 -0.664 -2.696 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.466 2.506 -2.952 1.00 0.00 N ATOM 1209 CA GLY A 100 -10.695 2.911 -4.331 1.00 0.00 C ATOM 1210 C GLY A 100 -11.236 1.754 -5.166 1.00 0.00 C ATOM 1211 O GLY A 100 -11.076 1.764 -6.388 1.00 0.00 O ATOM 0 H GLY A 100 -11.305 2.536 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.401 3.741 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.763 3.272 -4.766 1.00 0.00 H new ATOM 1215 N GLY A 101 -11.879 0.769 -4.533 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.458 -0.394 -5.184 1.00 0.00 C ATOM 1217 C GLY A 101 -11.386 -1.407 -5.578 1.00 0.00 C ATOM 1218 O GLY A 101 -10.185 -1.114 -5.570 1.00 0.00 O ATOM 0 H GLY A 101 -12.011 0.765 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.178 -0.866 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.007 -0.080 -6.072 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.828 -2.603 -5.976 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.931 -3.656 -6.453 1.00 0.00 C ATOM 1224 C PHE A 102 -10.104 -3.139 -7.630 1.00 0.00 C ATOM 1225 O PHE A 102 -8.927 -3.476 -7.740 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.734 -4.905 -6.857 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.974 -6.225 -6.841 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.906 -6.468 -7.729 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -11.368 -7.248 -5.957 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.201 -7.684 -7.681 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.703 -8.488 -5.957 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.590 -8.693 -6.786 1.00 0.00 C ATOM 0 H PHE A 102 -12.813 -2.867 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.253 -3.937 -5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.590 -4.994 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.129 -4.749 -7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.627 -5.715 -8.451 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.187 -7.079 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.357 -7.842 -8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.051 -9.285 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.037 -9.619 -6.736 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.682 -2.288 -8.488 1.00 0.00 N ATOM 1243 CA ALA A 103 -9.996 -1.801 -9.670 1.00 0.00 C ATOM 1244 C ALA A 103 -8.709 -1.052 -9.332 1.00 0.00 C ATOM 1245 O ALA A 103 -7.781 -1.126 -10.139 1.00 0.00 O ATOM 1246 CB ALA A 103 -10.921 -0.907 -10.498 1.00 0.00 C ATOM 0 H ALA A 103 -11.629 -1.927 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.718 -2.677 -10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.389 -0.551 -11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.797 -1.477 -10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.237 -0.055 -9.897 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.618 -0.358 -8.186 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.359 0.277 -7.805 1.00 0.00 C ATOM 1254 C TYR A 104 -6.344 -0.784 -7.403 1.00 0.00 C ATOM 1255 O TYR A 104 -5.198 -0.685 -7.811 1.00 0.00 O ATOM 1256 CB TYR A 104 -7.538 1.318 -6.688 1.00 0.00 C ATOM 1257 CG TYR A 104 -6.397 2.327 -6.541 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -5.909 3.034 -7.660 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -5.866 2.626 -5.270 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -4.960 4.061 -7.500 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -4.925 3.662 -5.103 1.00 0.00 C ATOM 1262 CZ TYR A 104 -4.486 4.407 -6.219 1.00 0.00 C ATOM 1263 OH TYR A 104 -3.647 5.470 -6.052 1.00 0.00 O ATOM 0 H TYR A 104 -9.384 -0.227 -7.525 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.988 0.819 -8.675 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.463 1.865 -6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.660 0.792 -5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.267 2.785 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.185 2.053 -4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.592 4.589 -8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.539 3.886 -4.120 1.00 0.00 H new ATOM 0 HH TYR A 104 -2.971 5.250 -5.377 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.742 -1.817 -6.654 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.830 -2.889 -6.253 1.00 0.00 C ATOM 1275 C LEU A 105 -5.292 -3.626 -7.474 1.00 0.00 C ATOM 1276 O LEU A 105 -4.092 -3.890 -7.562 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.500 -3.903 -5.320 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.269 -3.343 -4.114 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.929 -4.497 -3.354 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.305 -2.585 -3.194 1.00 0.00 C ATOM 0 H LEU A 105 -7.696 -1.932 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.012 -2.412 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.191 -4.503 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.731 -4.579 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.040 -2.654 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.476 -4.103 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.619 -5.021 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.162 -5.190 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.853 -2.189 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.527 -3.264 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.848 -1.763 -3.744 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.173 -3.943 -8.425 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.773 -4.597 -9.653 1.00 0.00 C ATOM 1294 C ALA A 106 -4.804 -3.705 -10.419 1.00 0.00 C ATOM 1295 O ALA A 106 -3.750 -4.170 -10.846 1.00 0.00 O ATOM 1296 CB ALA A 106 -7.012 -4.966 -10.466 1.00 0.00 C ATOM 0 H ALA A 106 -7.173 -3.752 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.246 -5.526 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.708 -5.458 -11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.641 -5.641 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.573 -4.062 -10.704 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.136 -2.422 -10.559 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.286 -1.451 -11.234 1.00 0.00 C ATOM 1304 C GLU A 107 -2.953 -1.272 -10.501 1.00 0.00 C ATOM 1305 O GLU A 107 -1.955 -1.058 -11.165 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.034 -0.120 -11.409 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.292 0.862 -12.325 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.149 2.093 -12.620 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.921 2.100 -13.605 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.067 3.095 -11.874 1.00 0.00 O ATOM 0 H GLU A 107 -6.008 -2.028 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.046 -1.830 -12.227 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.024 -0.316 -11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.180 0.341 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.358 1.169 -11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.029 0.365 -13.259 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.895 -1.390 -9.172 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.668 -1.265 -8.383 1.00 0.00 C ATOM 1319 C LEU A 108 -0.701 -2.393 -8.717 1.00 0.00 C ATOM 1320 O LEU A 108 0.455 -2.129 -9.053 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.989 -1.262 -6.877 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.486 0.098 -6.361 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.155 -0.050 -5.000 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.321 1.055 -6.177 1.00 0.00 C ATOM 0 H LEU A 108 -3.719 -1.580 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.194 -0.316 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.747 -2.018 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.096 -1.548 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.193 0.480 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.498 0.925 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.006 -0.725 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.439 -0.456 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.691 2.013 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.618 0.638 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.816 1.202 -7.132 1.00 0.00 H new ATOM 1336 N SER A 109 -1.179 -3.641 -8.673 1.00 0.00 N ATOM 1337 CA SER A 109 -0.394 -4.794 -9.114 1.00 0.00 C ATOM 1338 C SER A 109 0.089 -4.517 -10.544 1.00 0.00 C ATOM 1339 O SER A 109 1.273 -4.656 -10.858 1.00 0.00 O ATOM 1340 CB SER A 109 -1.254 -6.071 -9.036 1.00 0.00 C ATOM 1341 OG SER A 109 -0.747 -7.152 -9.806 1.00 0.00 O ATOM 0 H SER A 109 -2.112 -3.877 -8.334 1.00 0.00 H new ATOM 0 HA SER A 109 0.472 -4.950 -8.470 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.330 -6.383 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.264 -5.839 -9.374 1.00 0.00 H new ATOM 0 HG SER A 109 -1.338 -7.928 -9.710 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.827 -4.059 -11.396 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.642 -3.865 -12.827 1.00 0.00 C ATOM 1349 C LYS A 110 -0.188 -2.414 -13.104 1.00 0.00 C ATOM 1350 O LYS A 110 -0.580 -1.814 -14.112 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.948 -4.309 -13.527 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.375 -5.757 -13.170 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.855 -6.089 -13.421 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.359 -7.207 -12.487 1.00 0.00 C ATOM 1355 NZ LYS A 110 -3.690 -8.509 -12.701 1.00 0.00 N ATOM 0 H LYS A 110 -1.765 -3.801 -11.088 1.00 0.00 H new ATOM 0 HA LYS A 110 0.158 -4.478 -13.242 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.750 -3.623 -13.253 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.818 -4.232 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.762 -6.451 -13.745 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.154 -5.934 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.458 -5.193 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.988 -6.395 -14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.210 -6.898 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.432 -7.332 -12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.078 -9.212 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.852 -8.826 -13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.668 -8.406 -12.536 1.00 0.00 H new ATOM 1369 N ASN A 111 0.615 -1.843 -12.195 1.00 0.00 N ATOM 1370 CA ASN A 111 1.337 -0.565 -12.264 1.00 0.00 C ATOM 1371 C ASN A 111 2.677 -0.728 -11.523 1.00 0.00 C ATOM 1372 O ASN A 111 3.138 0.164 -10.801 1.00 0.00 O ATOM 1373 CB ASN A 111 0.478 0.575 -11.678 1.00 0.00 C ATOM 1374 CG ASN A 111 1.121 1.957 -11.743 1.00 0.00 C ATOM 1375 OD1 ASN A 111 2.005 2.228 -12.555 1.00 0.00 O ATOM 1376 ND2 ASN A 111 0.657 2.891 -10.929 1.00 0.00 N ATOM 0 H ASN A 111 0.792 -2.311 -11.306 1.00 0.00 H new ATOM 0 HA ASN A 111 1.540 -0.295 -13.300 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.472 0.606 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.252 0.343 -10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.032 3.839 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.076 2.664 -10.257 1.00 0.00 H new ATOM 1383 N THR A 112 3.291 -1.908 -11.638 1.00 0.00 N ATOM 1384 CA THR A 112 4.507 -2.256 -10.922 1.00 0.00 C ATOM 1385 C THR A 112 5.508 -2.928 -11.874 1.00 0.00 C ATOM 1386 O THR A 112 5.208 -3.990 -12.428 1.00 0.00 O ATOM 1387 CB THR A 112 4.163 -3.139 -9.719 1.00 0.00 C ATOM 1388 OG1 THR A 112 3.267 -2.480 -8.852 1.00 0.00 O ATOM 1389 CG2 THR A 112 5.433 -3.407 -8.917 1.00 0.00 C ATOM 0 H THR A 112 2.947 -2.655 -12.241 1.00 0.00 H new ATOM 0 HA THR A 112 4.984 -1.353 -10.541 1.00 0.00 H new ATOM 0 HB THR A 112 3.716 -4.059 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.356 -2.553 -9.206 1.00 0.00 H new ATOM 0 HG21 THR A 112 5.195 -4.035 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.162 -3.916 -9.548 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.851 -2.462 -8.570 1.00 0.00 H new ATOM 1397 N PRO A 113 6.702 -2.348 -12.089 1.00 0.00 N ATOM 1398 CA PRO A 113 7.762 -2.952 -12.884 1.00 0.00 C ATOM 1399 C PRO A 113 8.536 -3.965 -12.020 1.00 0.00 C ATOM 1400 O PRO A 113 9.718 -3.767 -11.720 1.00 0.00 O ATOM 1401 CB PRO A 113 8.595 -1.754 -13.346 1.00 0.00 C ATOM 1402 CG PRO A 113 8.543 -0.819 -12.135 1.00 0.00 C ATOM 1403 CD PRO A 113 7.151 -1.066 -11.559 1.00 0.00 C ATOM 0 HA PRO A 113 7.421 -3.529 -13.744 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.617 -2.042 -13.591 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.173 -1.287 -14.236 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.325 -1.053 -11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.679 0.223 -12.425 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.181 -1.086 -10.470 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.466 -0.267 -11.845 1.00 0.00 H new ATOM 1411 N SER A 114 7.854 -5.033 -11.594 1.00 0.00 N ATOM 1412 CA SER A 114 8.312 -6.013 -10.612 1.00 0.00 C ATOM 1413 C SER A 114 8.589 -5.384 -9.232 1.00 0.00 C ATOM 1414 O SER A 114 8.599 -4.163 -9.053 1.00 0.00 O ATOM 1415 CB SER A 114 9.521 -6.780 -11.175 1.00 0.00 C ATOM 1416 OG SER A 114 9.207 -7.389 -12.409 1.00 0.00 O ATOM 0 H SER A 114 6.920 -5.245 -11.945 1.00 0.00 H new ATOM 0 HA SER A 114 7.508 -6.728 -10.436 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.360 -6.097 -11.306 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.838 -7.540 -10.461 1.00 0.00 H new ATOM 0 HG SER A 114 9.992 -7.868 -12.746 1.00 0.00 H new ATOM 1422 N ALA A 115 8.831 -6.222 -8.218 1.00 0.00 N ATOM 1423 CA ALA A 115 9.331 -5.792 -6.913 1.00 0.00 C ATOM 1424 C ALA A 115 10.865 -5.640 -6.941 1.00 0.00 C ATOM 1425 O ALA A 115 11.504 -5.502 -5.896 1.00 0.00 O ATOM 1426 CB ALA A 115 8.853 -6.773 -5.838 1.00 0.00 C ATOM 0 H ALA A 115 8.683 -7.229 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 115 8.930 -4.809 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.224 -6.455 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.763 -6.793 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.231 -7.771 -6.062 1.00 0.00 H new ATOM 1432 N ALA A 116 11.467 -5.654 -8.137 1.00 0.00 N ATOM 1433 CA ALA A 116 12.901 -5.640 -8.386 1.00 0.00 C ATOM 1434 C ALA A 116 13.612 -4.553 -7.586 1.00 0.00 C ATOM 1435 O ALA A 116 14.566 -4.851 -6.869 1.00 0.00 O ATOM 1436 CB ALA A 116 13.146 -5.450 -9.886 1.00 0.00 C ATOM 0 H ALA A 116 10.928 -5.677 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 116 13.315 -6.594 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.218 -5.438 -10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.686 -6.271 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.708 -4.506 -10.209 1.00 0.00 H new ATOM 1442 N ASN A 117 13.128 -3.312 -7.686 1.00 0.00 N ATOM 1443 CA ASN A 117 13.720 -2.139 -7.046 1.00 0.00 C ATOM 1444 C ASN A 117 12.791 -1.579 -5.970 1.00 0.00 C ATOM 1445 O ASN A 117 12.841 -0.383 -5.683 1.00 0.00 O ATOM 1446 CB ASN A 117 14.079 -1.068 -8.091 1.00 0.00 C ATOM 1447 CG ASN A 117 15.122 -1.525 -9.098 1.00 0.00 C ATOM 1448 OD1 ASN A 117 14.866 -1.532 -10.300 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.303 -1.899 -8.640 1.00 0.00 N ATOM 0 H ASN A 117 12.293 -3.092 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 117 14.644 -2.447 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.175 -0.776 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.447 -0.180 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.029 -2.203 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.489 -1.884 -7.637 1.00 0.00 H new ATOM 1456 N ILE A 118 11.920 -2.409 -5.383 1.00 0.00 N ATOM 1457 CA ILE A 118 10.927 -1.970 -4.400 1.00 0.00 C ATOM 1458 C ILE A 118 11.584 -1.182 -3.273 1.00 0.00 C ATOM 1459 O ILE A 118 11.068 -0.156 -2.858 1.00 0.00 O ATOM 1460 CB ILE A 118 10.144 -3.188 -3.880 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.762 -2.777 -3.343 1.00 0.00 C ATOM 1462 CG2 ILE A 118 10.909 -4.043 -2.864 1.00 0.00 C ATOM 1463 CD1 ILE A 118 7.875 -3.971 -2.969 1.00 0.00 C ATOM 0 H ILE A 118 11.886 -3.409 -5.579 1.00 0.00 H new ATOM 0 HA ILE A 118 10.220 -1.293 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 118 10.003 -3.833 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.895 -2.144 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.252 -2.176 -4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.285 -4.880 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.822 -4.423 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.165 -3.435 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.916 -3.610 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.712 -4.593 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.365 -4.560 -2.194 1.00 0.00 H new ATOM 1475 N SER A 119 12.760 -1.640 -2.854 1.00 0.00 N ATOM 1476 CA SER A 119 13.578 -1.039 -1.809 1.00 0.00 C ATOM 1477 C SER A 119 13.907 0.423 -2.124 1.00 0.00 C ATOM 1478 O SER A 119 13.806 1.289 -1.255 1.00 0.00 O ATOM 1479 CB SER A 119 14.818 -1.925 -1.615 1.00 0.00 C ATOM 1480 OG SER A 119 15.433 -1.799 -0.351 1.00 0.00 O ATOM 0 H SER A 119 13.186 -2.477 -3.252 1.00 0.00 H new ATOM 0 HA SER A 119 13.033 -0.998 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.532 -2.966 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.548 -1.681 -2.387 1.00 0.00 H new ATOM 0 HG SER A 119 16.211 -2.394 -0.305 1.00 0.00 H new ATOM 1486 N ALA A 120 14.227 0.721 -3.384 1.00 0.00 N ATOM 1487 CA ALA A 120 14.521 2.073 -3.840 1.00 0.00 C ATOM 1488 C ALA A 120 13.262 2.937 -3.852 1.00 0.00 C ATOM 1489 O ALA A 120 13.325 4.106 -3.461 1.00 0.00 O ATOM 1490 CB ALA A 120 15.158 2.039 -5.232 1.00 0.00 C ATOM 0 H ALA A 120 14.289 0.020 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 120 15.228 2.518 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.372 3.056 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.085 1.468 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.471 1.569 -5.935 1.00 0.00 H new ATOM 1496 N TYR A 121 12.133 2.380 -4.303 1.00 0.00 N ATOM 1497 CA TYR A 121 10.853 3.064 -4.291 1.00 0.00 C ATOM 1498 C TYR A 121 10.414 3.339 -2.847 1.00 0.00 C ATOM 1499 O TYR A 121 10.012 4.455 -2.544 1.00 0.00 O ATOM 1500 CB TYR A 121 9.797 2.240 -5.046 1.00 0.00 C ATOM 1501 CG TYR A 121 9.893 2.237 -6.564 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.602 3.412 -7.283 1.00 0.00 C ATOM 1503 CD2 TYR A 121 10.172 1.050 -7.269 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.548 3.399 -8.687 1.00 0.00 C ATOM 1505 CE2 TYR A 121 10.150 1.034 -8.677 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.818 2.205 -9.392 1.00 0.00 C ATOM 1507 OH TYR A 121 9.745 2.187 -10.751 1.00 0.00 O ATOM 0 H TYR A 121 12.090 1.436 -4.687 1.00 0.00 H new ATOM 0 HA TYR A 121 10.958 4.021 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.858 1.209 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.811 2.613 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.418 4.333 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.404 0.146 -6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.300 4.301 -9.227 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.387 0.125 -9.210 1.00 0.00 H new ATOM 0 HH TYR A 121 10.175 1.375 -11.091 1.00 0.00 H new ATOM 1517 N ALA A 122 10.492 2.361 -1.944 1.00 0.00 N ATOM 1518 CA ALA A 122 10.118 2.507 -0.545 1.00 0.00 C ATOM 1519 C ALA A 122 11.048 3.475 0.180 1.00 0.00 C ATOM 1520 O ALA A 122 10.582 4.212 1.047 1.00 0.00 O ATOM 1521 CB ALA A 122 10.103 1.133 0.123 1.00 0.00 C ATOM 0 H ALA A 122 10.825 1.425 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 122 9.117 2.934 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.823 1.241 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.381 0.491 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.095 0.685 0.057 1.00 0.00 H new ATOM 1527 N ASP A 123 12.333 3.519 -0.182 1.00 0.00 N ATOM 1528 CA ASP A 123 13.260 4.508 0.363 1.00 0.00 C ATOM 1529 C ASP A 123 12.789 5.901 -0.050 1.00 0.00 C ATOM 1530 O ASP A 123 12.786 6.804 0.779 1.00 0.00 O ATOM 1531 CB ASP A 123 14.710 4.270 -0.100 1.00 0.00 C ATOM 1532 CG ASP A 123 15.574 3.408 0.832 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.186 3.077 1.974 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.738 3.139 0.453 1.00 0.00 O ATOM 0 H ASP A 123 12.754 2.877 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 123 13.262 4.415 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.685 3.798 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.196 5.238 -0.224 1.00 0.00 H new ATOM 1539 N ILE A 124 12.329 6.083 -1.296 1.00 0.00 N ATOM 1540 CA ILE A 124 11.721 7.331 -1.763 1.00 0.00 C ATOM 1541 C ILE A 124 10.494 7.693 -0.917 1.00 0.00 C ATOM 1542 O ILE A 124 10.315 8.880 -0.622 1.00 0.00 O ATOM 1543 CB ILE A 124 11.418 7.241 -3.283 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.672 7.628 -4.078 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.209 8.067 -3.761 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.707 6.964 -5.459 1.00 0.00 C ATOM 0 H ILE A 124 12.370 5.359 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 124 12.427 8.151 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 124 11.139 6.204 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.706 8.711 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.560 7.341 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.081 7.937 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.310 7.729 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.378 9.121 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 124 13.612 7.267 -5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.701 5.880 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 124 11.833 7.272 -6.033 1.00 0.00 H new ATOM 1558 N VAL A 125 9.658 6.716 -0.541 1.00 0.00 N ATOM 1559 CA VAL A 125 8.504 6.960 0.318 1.00 0.00 C ATOM 1560 C VAL A 125 8.980 7.452 1.677 1.00 0.00 C ATOM 1561 O VAL A 125 8.537 8.512 2.126 1.00 0.00 O ATOM 1562 CB VAL A 125 7.579 5.730 0.451 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.298 6.090 1.225 1.00 0.00 C ATOM 1564 CG2 VAL A 125 7.172 5.156 -0.911 1.00 0.00 C ATOM 0 H VAL A 125 9.766 5.742 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 125 7.895 7.732 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 125 8.152 4.977 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.662 5.208 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.562 6.440 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.761 6.877 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.522 4.293 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.640 5.917 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.064 4.849 -1.458 1.00 0.00 H new ATOM 1574 N ARG A 126 9.874 6.709 2.340 1.00 0.00 N ATOM 1575 CA ARG A 126 10.324 7.112 3.665 1.00 0.00 C ATOM 1576 C ARG A 126 11.022 8.464 3.606 1.00 0.00 C ATOM 1577 O ARG A 126 10.766 9.289 4.470 1.00 0.00 O ATOM 1578 CB ARG A 126 11.211 6.054 4.323 1.00 0.00 C ATOM 1579 CG ARG A 126 11.351 6.363 5.830 1.00 0.00 C ATOM 1580 CD ARG A 126 12.808 6.439 6.290 1.00 0.00 C ATOM 1581 NE ARG A 126 13.463 5.126 6.268 1.00 0.00 N ATOM 1582 CZ ARG A 126 13.299 4.137 7.150 1.00 0.00 C ATOM 1583 NH1 ARG A 126 12.521 4.295 8.219 1.00 0.00 N ATOM 1584 NH2 ARG A 126 13.932 2.989 6.928 1.00 0.00 N ATOM 0 H ARG A 126 10.288 5.847 1.986 1.00 0.00 H new ATOM 0 HA ARG A 126 9.439 7.210 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.778 5.063 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.193 6.043 3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.856 7.309 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.834 5.593 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.355 7.128 5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.848 6.847 7.300 1.00 0.00 H new ATOM 0 HE ARG A 126 14.110 4.951 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.040 5.181 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.406 3.530 8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.522 2.883 6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.827 2.214 7.583 1.00 0.00 H new ATOM 1598 N GLU A 127 11.853 8.729 2.601 1.00 0.00 N ATOM 1599 CA GLU A 127 12.500 10.021 2.401 1.00 0.00 C ATOM 1600 C GLU A 127 11.449 11.125 2.360 1.00 0.00 C ATOM 1601 O GLU A 127 11.538 12.104 3.098 1.00 0.00 O ATOM 1602 CB GLU A 127 13.286 9.979 1.085 1.00 0.00 C ATOM 1603 CG GLU A 127 14.206 11.183 0.867 1.00 0.00 C ATOM 1604 CD GLU A 127 15.520 11.081 1.642 1.00 0.00 C ATOM 1605 OE1 GLU A 127 16.382 10.240 1.290 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.751 11.910 2.549 1.00 0.00 O ATOM 0 H GLU A 127 12.099 8.039 1.891 1.00 0.00 H new ATOM 0 HA GLU A 127 13.183 10.229 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.885 9.069 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.582 9.919 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.425 11.278 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.683 12.091 1.167 1.00 0.00 H new ATOM 1613 N ARG A 128 10.427 10.957 1.518 1.00 0.00 N ATOM 1614 CA ARG A 128 9.330 11.918 1.440 1.00 0.00 C ATOM 1615 C ARG A 128 8.653 12.091 2.796 1.00 0.00 C ATOM 1616 O ARG A 128 8.396 13.232 3.166 1.00 0.00 O ATOM 1617 CB ARG A 128 8.327 11.542 0.333 1.00 0.00 C ATOM 1618 CG ARG A 128 8.848 11.952 -1.052 1.00 0.00 C ATOM 1619 CD ARG A 128 8.738 13.470 -1.278 1.00 0.00 C ATOM 1620 NE ARG A 128 9.851 13.986 -2.088 1.00 0.00 N ATOM 1621 CZ ARG A 128 9.900 14.131 -3.416 1.00 0.00 C ATOM 1622 NH1 ARG A 128 8.897 13.752 -4.200 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.976 14.665 -3.970 1.00 0.00 N ATOM 0 H ARG A 128 10.338 10.165 0.882 1.00 0.00 H new ATOM 0 HA ARG A 128 9.752 12.885 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.146 10.467 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.371 12.030 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.888 11.644 -1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.283 11.428 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.794 13.696 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.723 13.980 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 128 10.686 14.267 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.059 13.337 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.964 13.876 -5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.757 14.961 -3.385 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.024 14.780 -4.982 1.00 0.00 H new ATOM 1637 N ALA A 129 8.388 11.019 3.543 1.00 0.00 N ATOM 1638 CA ALA A 129 7.784 11.113 4.867 1.00 0.00 C ATOM 1639 C ALA A 129 8.710 11.827 5.866 1.00 0.00 C ATOM 1640 O ALA A 129 8.240 12.651 6.646 1.00 0.00 O ATOM 1641 CB ALA A 129 7.390 9.716 5.360 1.00 0.00 C ATOM 0 H ALA A 129 8.587 10.064 3.246 1.00 0.00 H new ATOM 0 HA ALA A 129 6.882 11.721 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.939 9.793 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.673 9.275 4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.277 9.085 5.414 1.00 0.00 H new ATOM 1647 N VAL A 130 10.021 11.564 5.834 1.00 0.00 N ATOM 1648 CA VAL A 130 11.024 12.222 6.672 1.00 0.00 C ATOM 1649 C VAL A 130 11.018 13.725 6.384 1.00 0.00 C ATOM 1650 O VAL A 130 10.991 14.535 7.316 1.00 0.00 O ATOM 1651 CB VAL A 130 12.401 11.549 6.447 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.575 12.342 7.027 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.447 10.150 7.078 1.00 0.00 C ATOM 0 H VAL A 130 10.423 10.868 5.206 1.00 0.00 H new ATOM 0 HA VAL A 130 10.791 12.108 7.731 1.00 0.00 H new ATOM 0 HB VAL A 130 12.508 11.501 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.506 11.810 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.615 13.326 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.441 12.455 8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.426 9.704 6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.271 10.229 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.677 9.523 6.629 1.00 0.00 H new ATOM 1663 N VAL A 131 11.025 14.114 5.110 1.00 0.00 N ATOM 1664 CA VAL A 131 10.926 15.509 4.700 1.00 0.00 C ATOM 1665 C VAL A 131 9.565 16.079 5.111 1.00 0.00 C ATOM 1666 O VAL A 131 9.492 17.239 5.496 1.00 0.00 O ATOM 1667 CB VAL A 131 11.211 15.629 3.186 1.00 0.00 C ATOM 1668 CG1 VAL A 131 10.991 17.049 2.640 1.00 0.00 C ATOM 1669 CG2 VAL A 131 12.671 15.252 2.887 1.00 0.00 C ATOM 0 H VAL A 131 11.100 13.462 4.329 1.00 0.00 H new ATOM 0 HA VAL A 131 11.679 16.110 5.209 1.00 0.00 H new ATOM 0 HB VAL A 131 10.509 14.951 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 131 11.208 17.066 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 131 9.955 17.346 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 131 11.654 17.744 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 131 12.858 15.341 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 131 13.338 15.922 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.854 14.225 3.203 1.00 0.00 H new ATOM 1679 N ARG A 132 8.480 15.302 5.069 1.00 0.00 N ATOM 1680 CA ARG A 132 7.161 15.796 5.449 1.00 0.00 C ATOM 1681 C ARG A 132 7.114 16.141 6.929 1.00 0.00 C ATOM 1682 O ARG A 132 6.641 17.217 7.299 1.00 0.00 O ATOM 1683 CB ARG A 132 6.080 14.774 5.056 1.00 0.00 C ATOM 1684 CG ARG A 132 4.686 15.399 4.955 1.00 0.00 C ATOM 1685 CD ARG A 132 4.465 16.098 3.603 1.00 0.00 C ATOM 1686 NE ARG A 132 3.071 16.528 3.454 1.00 0.00 N ATOM 1687 CZ ARG A 132 2.449 17.467 4.163 1.00 0.00 C ATOM 1688 NH1 ARG A 132 3.144 18.393 4.809 1.00 0.00 N ATOM 1689 NH2 ARG A 132 1.125 17.455 4.223 1.00 0.00 N ATOM 0 H ARG A 132 8.493 14.326 4.774 1.00 0.00 H new ATOM 0 HA ARG A 132 6.958 16.719 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.342 14.324 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.061 13.970 5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.931 14.625 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.552 16.120 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 132 5.126 16.961 3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 132 4.728 15.419 2.792 1.00 0.00 H new ATOM 0 HE ARG A 132 2.522 16.060 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.163 18.389 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.660 19.109 5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 132 0.599 16.733 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.632 18.167 4.762 1.00 0.00 H new ATOM 1703 N GLU A 133 7.576 15.225 7.773 1.00 0.00 N ATOM 1704 CA GLU A 133 7.485 15.394 9.217 1.00 0.00 C ATOM 1705 C GLU A 133 8.431 16.489 9.701 1.00 0.00 C ATOM 1706 O GLU A 133 8.082 17.250 10.604 1.00 0.00 O ATOM 1707 CB GLU A 133 7.682 14.079 9.979 1.00 0.00 C ATOM 1708 CG GLU A 133 9.105 13.507 10.090 1.00 0.00 C ATOM 1709 CD GLU A 133 9.214 12.401 11.149 1.00 0.00 C ATOM 1710 OE1 GLU A 133 8.182 11.896 11.654 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.346 12.023 11.516 1.00 0.00 O ATOM 0 H GLU A 133 8.019 14.354 7.479 1.00 0.00 H new ATOM 0 HA GLU A 133 6.467 15.716 9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.301 14.220 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.056 13.323 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.410 13.110 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.798 14.311 10.337 1.00 0.00 H new ATOM 1718 N MET A 134 9.602 16.604 9.082 1.00 0.00 N ATOM 1719 CA MET A 134 10.603 17.616 9.387 1.00 0.00 C ATOM 1720 C MET A 134 11.016 18.274 8.081 1.00 0.00 C ATOM 1721 O MET A 134 12.077 17.956 7.539 1.00 0.00 O ATOM 1722 CB MET A 134 11.802 17.000 10.126 1.00 0.00 C ATOM 1723 CG MET A 134 11.487 16.639 11.580 1.00 0.00 C ATOM 1724 SD MET A 134 12.861 15.868 12.469 1.00 0.00 S ATOM 1725 CE MET A 134 13.038 14.333 11.528 1.00 0.00 C ATOM 0 H MET A 134 9.887 15.975 8.331 1.00 0.00 H new ATOM 0 HA MET A 134 10.189 18.370 10.056 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.126 16.104 9.597 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.635 17.702 10.104 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.188 17.543 12.110 1.00 0.00 H new ATOM 0 HG3 MET A 134 10.633 15.962 11.597 1.00 0.00 H new ATOM 0 HE1 MET A 134 13.620 13.616 12.107 1.00 0.00 H new ATOM 0 HE2 MET A 134 12.052 13.917 11.321 1.00 0.00 H new ATOM 0 HE3 MET A 134 13.549 14.539 10.588 1.00 0.00 H new ATOM 1735 N ILE A 135 10.190 19.201 7.589 1.00 0.00 N ATOM 1736 CA ILE A 135 10.482 20.029 6.421 1.00 0.00 C ATOM 1737 C ILE A 135 11.914 20.561 6.528 1.00 0.00 C ATOM 1738 O ILE A 135 12.269 21.241 7.496 1.00 0.00 O ATOM 1739 CB ILE A 135 9.378 21.089 6.200 1.00 0.00 C ATOM 1740 CG1 ILE A 135 9.190 22.051 7.393 1.00 0.00 C ATOM 1741 CG2 ILE A 135 8.055 20.368 5.869 1.00 0.00 C ATOM 1742 CD1 ILE A 135 8.139 23.134 7.147 1.00 0.00 C ATOM 0 H ILE A 135 9.279 19.400 8.003 1.00 0.00 H new ATOM 0 HA ILE A 135 10.455 19.440 5.504 1.00 0.00 H new ATOM 0 HB ILE A 135 9.693 21.718 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 135 8.906 21.474 8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 135 10.144 22.527 7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 135 7.268 21.106 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.181 19.773 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.779 19.715 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 135 8.061 23.772 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 135 8.432 23.736 6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 135 7.174 22.667 6.951 1.00 0.00 H new ATOM 1754 N SER A 136 12.766 20.106 5.611 1.00 0.00 N ATOM 1755 CA SER A 136 14.205 20.307 5.537 1.00 0.00 C ATOM 1756 C SER A 136 14.586 20.384 4.065 1.00 0.00 C ATOM 1757 O SER A 136 13.736 20.045 3.208 1.00 0.00 O ATOM 1758 CB SER A 136 14.931 19.133 6.203 1.00 0.00 C ATOM 1759 OG SER A 136 14.543 18.973 7.557 1.00 0.00 O ATOM 1760 OXT SER A 136 15.734 20.776 3.762 1.00 0.00 O ATOM 0 H SER A 136 12.433 19.537 4.833 1.00 0.00 H new ATOM 0 HA SER A 136 14.490 21.223 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 136 14.719 18.216 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 136 16.008 19.295 6.150 1.00 0.00 H new ATOM 0 HG SER A 136 13.585 18.770 7.601 1.00 0.00 H new TER 1766 SER A 136