USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 814 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 Single : A 3 HIS : no HE2:sc= -1.01 K(o=-1,f=-2.5) USER MOD Single : A 4 SER OG : rot 41:sc= 0.152 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.0627 (180deg=-0.42) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -78:sc= -0.856 USER MOD Single : A 32 THR OG1 : rot -68:sc= -0.428 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0575) USER MOD Single : A 38 HIS : no HD1:sc= -3.78 K(o=-3.8,f=-4.4) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.134 USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.0804 (180deg=-0.439) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 58 MET CE :methyl 180:sc=-0.00523 (180deg=-0.00523) USER MOD Single : A 59 MET CE :methyl -165:sc= -0.0361 (180deg=-0.411) USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= -1 (180deg=-2.85!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -118:sc= -0.205 (180deg=-1.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.29) USER MOD Single : A 78 ASN : amide:sc=-0.00667 K(o=-0.0067,f=-0.51) USER MOD Single : A 83 LYS NZ :NH3+ -143:sc= 0.0562 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -3.19! C(o=-3.2!,f=-3.3!) USER MOD Single : A 88 MET CE :methyl 138:sc= -4.72! (180deg=-9.27!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.12) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -118:sc= -1.87 (180deg=-5.1!) USER MOD Single : A 103 THR OG1 : rot 115:sc= 1.1 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.154 F(o=-1.1,f=-0.15) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 50:sc= -1.71 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -7.943 10.616 7.367 1.00 0.00 N ATOM 29 CA HIS A 3 -7.229 9.345 7.409 1.00 0.00 C ATOM 30 C HIS A 3 -8.201 8.167 7.411 1.00 0.00 C ATOM 31 O HIS A 3 -8.177 7.328 8.312 1.00 0.00 O ATOM 32 CB HIS A 3 -6.318 9.289 8.637 1.00 0.00 C ATOM 33 CG HIS A 3 -7.051 9.157 9.935 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.382 9.482 10.091 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.627 8.726 11.144 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.743 9.258 11.343 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.696 8.798 12.002 1.00 0.00 N ATOM 0 HA HIS A 3 -6.615 9.271 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.634 8.447 8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.709 10.193 8.666 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -8.992 9.839 9.356 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.631 8.388 11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.727 9.423 11.756 1.00 0.00 H new ATOM 46 N SER A 4 -9.055 8.107 6.394 1.00 0.00 N ATOM 47 CA SER A 4 -10.031 7.030 6.282 1.00 0.00 C ATOM 48 C SER A 4 -10.817 7.136 4.978 1.00 0.00 C ATOM 49 O SER A 4 -11.414 8.171 4.684 1.00 0.00 O ATOM 50 CB SER A 4 -10.991 7.059 7.472 1.00 0.00 C ATOM 51 OG SER A 4 -11.680 8.295 7.542 1.00 0.00 O ATOM 0 H SER A 4 -9.091 8.790 5.637 1.00 0.00 H new ATOM 0 HA SER A 4 -9.490 6.084 6.281 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.709 6.244 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.435 6.896 8.395 1.00 0.00 H new ATOM 0 HG SER A 4 -11.938 8.577 6.640 1.00 0.00 H new ATOM 57 N GLY A 5 -10.818 6.055 4.203 1.00 0.00 N ATOM 58 CA GLY A 5 -11.538 6.042 2.946 1.00 0.00 C ATOM 59 C GLY A 5 -12.043 4.658 2.607 1.00 0.00 C ATOM 60 O GLY A 5 -11.440 3.663 3.003 1.00 0.00 O ATOM 0 H GLY A 5 -10.331 5.187 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.379 6.733 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.885 6.397 2.149 1.00 0.00 H new ATOM 64 N ALA A 6 -13.149 4.584 1.879 1.00 0.00 N ATOM 65 CA ALA A 6 -13.717 3.298 1.506 1.00 0.00 C ATOM 66 C ALA A 6 -12.849 2.608 0.462 1.00 0.00 C ATOM 67 O ALA A 6 -12.813 3.013 -0.700 1.00 0.00 O ATOM 68 CB ALA A 6 -15.139 3.473 1.000 1.00 0.00 C ATOM 0 H ALA A 6 -13.667 5.394 1.538 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.746 2.663 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.550 2.501 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.752 3.917 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.137 4.126 0.127 1.00 0.00 H new ATOM 74 N ALA A 7 -12.143 1.566 0.892 1.00 0.00 N ATOM 75 CA ALA A 7 -11.261 0.819 0.003 1.00 0.00 C ATOM 76 C ALA A 7 -11.785 -0.596 -0.232 1.00 0.00 C ATOM 77 O ALA A 7 -12.473 -1.162 0.617 1.00 0.00 O ATOM 78 CB ALA A 7 -9.848 0.777 0.575 1.00 0.00 C ATOM 0 H ALA A 7 -12.165 1.220 1.851 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.236 1.331 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.199 0.216 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.468 1.793 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.865 0.291 1.551 1.00 0.00 H new ATOM 84 N ILE A 8 -11.456 -1.162 -1.392 1.00 0.00 N ATOM 85 CA ILE A 8 -11.896 -2.510 -1.738 1.00 0.00 C ATOM 86 C ILE A 8 -10.824 -3.543 -1.400 1.00 0.00 C ATOM 87 O ILE A 8 -9.628 -3.275 -1.521 1.00 0.00 O ATOM 88 CB ILE A 8 -12.269 -2.612 -3.236 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.668 -2.044 -3.464 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.198 -4.048 -3.737 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.672 -0.804 -4.313 1.00 0.00 C ATOM 0 H ILE A 8 -10.887 -0.708 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.785 -2.721 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.543 -2.028 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.289 -2.804 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.123 -1.818 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.467 -4.079 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.184 -4.428 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.892 -4.667 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.696 -0.451 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.077 -0.029 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.246 -1.031 -5.290 1.00 0.00 H new ATOM 103 N PHE A 9 -11.264 -4.726 -0.980 1.00 0.00 N ATOM 104 CA PHE A 9 -10.349 -5.804 -0.629 1.00 0.00 C ATOM 105 C PHE A 9 -10.980 -7.159 -0.927 1.00 0.00 C ATOM 106 O PHE A 9 -12.043 -7.486 -0.403 1.00 0.00 O ATOM 107 CB PHE A 9 -9.969 -5.719 0.851 1.00 0.00 C ATOM 108 CG PHE A 9 -8.649 -6.360 1.169 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.519 -6.057 0.426 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.538 -7.266 2.212 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.303 -6.646 0.717 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.324 -7.858 2.508 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.206 -7.547 1.760 1.00 0.00 C ATOM 0 H PHE A 9 -12.251 -4.961 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.447 -5.698 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.936 -4.671 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.748 -6.196 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.589 -5.353 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.410 -7.512 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.430 -6.402 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.250 -8.563 3.323 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.257 -8.008 1.990 1.00 0.00 H new ATOM 123 N GLU A 10 -10.323 -7.944 -1.774 1.00 0.00 N ATOM 124 CA GLU A 10 -10.826 -9.263 -2.146 1.00 0.00 C ATOM 125 C GLU A 10 -12.083 -9.141 -3.004 1.00 0.00 C ATOM 126 O GLU A 10 -12.972 -9.990 -2.946 1.00 0.00 O ATOM 127 CB GLU A 10 -11.115 -10.102 -0.896 1.00 0.00 C ATOM 128 CG GLU A 10 -10.124 -11.234 -0.684 1.00 0.00 C ATOM 129 CD GLU A 10 -10.631 -12.561 -1.216 1.00 0.00 C ATOM 130 OE1 GLU A 10 -11.441 -12.548 -2.167 1.00 0.00 O ATOM 131 OE2 GLU A 10 -10.218 -13.611 -0.681 1.00 0.00 O ATOM 0 H GLU A 10 -9.440 -7.690 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.057 -9.766 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.105 -9.452 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.119 -10.518 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.183 -10.985 -1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.911 -11.331 0.381 1.00 0.00 H new ATOM 138 N LYS A 11 -12.141 -8.077 -3.807 1.00 0.00 N ATOM 139 CA LYS A 11 -13.276 -7.825 -4.698 1.00 0.00 C ATOM 140 C LYS A 11 -14.454 -7.182 -3.962 1.00 0.00 C ATOM 141 O LYS A 11 -15.451 -6.817 -4.584 1.00 0.00 O ATOM 142 CB LYS A 11 -13.736 -9.118 -5.381 1.00 0.00 C ATOM 143 CG LYS A 11 -12.591 -9.979 -5.895 1.00 0.00 C ATOM 144 CD LYS A 11 -12.829 -11.453 -5.606 1.00 0.00 C ATOM 145 CE LYS A 11 -11.702 -12.316 -6.151 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.365 -11.812 -5.732 1.00 0.00 N ATOM 0 H LYS A 11 -11.408 -7.370 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.929 -7.123 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.328 -9.700 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.391 -8.865 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.477 -9.831 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.658 -9.662 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.917 -11.604 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.775 -11.764 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.829 -13.341 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.756 -12.340 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.646 -12.541 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.133 -10.954 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.381 -11.589 -4.716 1.00 0.00 H new ATOM 160 N VAL A 12 -14.343 -7.040 -2.643 1.00 0.00 N ATOM 161 CA VAL A 12 -15.407 -6.436 -1.856 1.00 0.00 C ATOM 162 C VAL A 12 -15.023 -5.033 -1.408 1.00 0.00 C ATOM 163 O VAL A 12 -13.855 -4.757 -1.135 1.00 0.00 O ATOM 164 CB VAL A 12 -15.752 -7.298 -0.623 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.604 -7.326 0.376 1.00 0.00 C ATOM 166 CG2 VAL A 12 -17.032 -6.804 0.038 1.00 0.00 C ATOM 0 H VAL A 12 -13.530 -7.334 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.288 -6.376 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.914 -8.319 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.881 -7.942 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.717 -7.744 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.390 -6.312 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.257 -7.425 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.901 -5.770 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.855 -6.863 -0.674 1.00 0.00 H new ATOM 176 N SER A 13 -16.006 -4.146 -1.338 1.00 0.00 N ATOM 177 CA SER A 13 -15.749 -2.776 -0.924 1.00 0.00 C ATOM 178 C SER A 13 -15.984 -2.603 0.569 1.00 0.00 C ATOM 179 O SER A 13 -17.079 -2.854 1.071 1.00 0.00 O ATOM 180 CB SER A 13 -16.627 -1.800 -1.705 1.00 0.00 C ATOM 181 OG SER A 13 -16.971 -2.325 -2.976 1.00 0.00 O ATOM 0 H SER A 13 -16.980 -4.349 -1.561 1.00 0.00 H new ATOM 0 HA SER A 13 -14.703 -2.557 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.534 -1.589 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.101 -0.853 -1.830 1.00 0.00 H new ATOM 0 HG SER A 13 -17.534 -1.681 -3.454 1.00 0.00 H new ATOM 187 N GLY A 14 -14.945 -2.172 1.272 1.00 0.00 N ATOM 188 CA GLY A 14 -15.051 -1.967 2.701 1.00 0.00 C ATOM 189 C GLY A 14 -14.697 -0.553 3.105 1.00 0.00 C ATOM 190 O GLY A 14 -15.021 0.402 2.399 1.00 0.00 O ATOM 0 H GLY A 14 -14.029 -1.961 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.068 -2.191 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.392 -2.666 3.216 1.00 0.00 H new ATOM 194 N ILE A 15 -14.029 -0.419 4.242 1.00 0.00 N ATOM 195 CA ILE A 15 -13.627 0.889 4.738 1.00 0.00 C ATOM 196 C ILE A 15 -12.184 0.873 5.203 1.00 0.00 C ATOM 197 O ILE A 15 -11.821 0.126 6.106 1.00 0.00 O ATOM 198 CB ILE A 15 -14.511 1.349 5.910 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.985 1.046 5.618 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.295 2.832 6.186 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.630 1.994 4.631 1.00 0.00 C ATOM 0 H ILE A 15 -13.754 -1.200 4.838 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.742 1.585 3.907 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.226 0.796 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.066 0.029 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.543 1.079 6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.927 3.143 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.249 3.006 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.554 3.409 5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.671 1.710 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.584 3.011 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.100 1.945 3.680 1.00 0.00 H new ATOM 213 N ILE A 16 -11.369 1.713 4.595 1.00 0.00 N ATOM 214 CA ILE A 16 -9.970 1.803 4.962 1.00 0.00 C ATOM 215 C ILE A 16 -9.774 2.947 5.945 1.00 0.00 C ATOM 216 O ILE A 16 -10.114 4.092 5.656 1.00 0.00 O ATOM 217 CB ILE A 16 -9.079 1.979 3.705 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.380 0.659 3.374 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.049 3.086 3.871 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.367 0.769 2.252 1.00 0.00 C ATOM 0 H ILE A 16 -11.652 2.343 3.844 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.667 0.874 5.445 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.733 2.270 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.879 0.289 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.132 -0.081 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.452 3.167 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.558 4.032 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.398 2.854 4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.913 -0.206 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.865 1.108 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.593 1.484 2.530 1.00 0.00 H new ATOM 232 N ALA A 17 -9.248 2.626 7.115 1.00 0.00 N ATOM 233 CA ALA A 17 -9.035 3.628 8.146 1.00 0.00 C ATOM 234 C ALA A 17 -7.674 3.457 8.811 1.00 0.00 C ATOM 235 O ALA A 17 -7.310 2.360 9.236 1.00 0.00 O ATOM 236 CB ALA A 17 -10.159 3.557 9.169 1.00 0.00 C ATOM 0 H ALA A 17 -8.961 1.682 7.374 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.044 4.614 7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.997 4.309 9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.113 3.744 8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.174 2.567 9.625 1.00 0.00 H new ATOM 242 N ILE A 18 -6.922 4.550 8.886 1.00 0.00 N ATOM 243 CA ILE A 18 -5.592 4.530 9.485 1.00 0.00 C ATOM 244 C ILE A 18 -5.654 4.725 10.997 1.00 0.00 C ATOM 245 O ILE A 18 -6.133 5.749 11.483 1.00 0.00 O ATOM 246 CB ILE A 18 -4.691 5.624 8.875 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.624 5.473 7.354 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.295 5.567 9.477 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.764 6.150 6.627 1.00 0.00 C ATOM 0 H ILE A 18 -7.212 5.464 8.538 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.167 3.549 9.272 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.125 6.596 9.109 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.681 5.886 6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.623 4.412 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.675 6.346 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.357 5.722 10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.851 4.592 9.275 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.650 6.001 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.711 5.720 6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.754 7.217 6.848 1.00 0.00 H new ATOM 261 N ASN A 19 -5.152 3.739 11.733 1.00 0.00 N ATOM 262 CA ASN A 19 -5.134 3.803 13.190 1.00 0.00 C ATOM 263 C ASN A 19 -3.954 4.636 13.675 1.00 0.00 C ATOM 264 O ASN A 19 -2.852 4.121 13.863 1.00 0.00 O ATOM 265 CB ASN A 19 -5.059 2.395 13.784 1.00 0.00 C ATOM 266 CG ASN A 19 -5.864 2.263 15.061 1.00 0.00 C ATOM 267 OD1 ASN A 19 -6.790 3.035 15.308 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.514 1.279 15.882 1.00 0.00 N ATOM 0 H ASN A 19 -4.752 2.885 11.344 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.057 4.278 13.523 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.424 1.675 13.052 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.018 2.144 13.987 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.020 1.140 16.757 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.739 0.662 15.637 1.00 0.00 H new ATOM 275 N GLU A 20 -4.194 5.927 13.879 1.00 0.00 N ATOM 276 CA GLU A 20 -3.152 6.833 14.345 1.00 0.00 C ATOM 277 C GLU A 20 -3.255 7.047 15.850 1.00 0.00 C ATOM 278 O GLU A 20 -2.832 8.079 16.372 1.00 0.00 O ATOM 279 CB GLU A 20 -3.251 8.176 13.618 1.00 0.00 C ATOM 280 CG GLU A 20 -2.846 8.107 12.155 1.00 0.00 C ATOM 281 CD GLU A 20 -2.592 9.476 11.555 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.197 10.456 12.037 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.788 9.567 10.603 1.00 0.00 O ATOM 0 H GLU A 20 -5.101 6.369 13.729 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.185 6.381 14.125 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.276 8.542 13.686 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.619 8.903 14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.946 7.500 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.630 7.606 11.588 1.00 0.00 H new ATOM 290 N ASP A 21 -3.817 6.063 16.544 1.00 0.00 N ATOM 291 CA ASP A 21 -3.973 6.138 17.990 1.00 0.00 C ATOM 292 C ASP A 21 -2.998 5.199 18.697 1.00 0.00 C ATOM 293 O ASP A 21 -2.924 5.183 19.926 1.00 0.00 O ATOM 294 CB ASP A 21 -5.409 5.793 18.387 1.00 0.00 C ATOM 295 CG ASP A 21 -6.329 6.998 18.335 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.850 7.300 17.241 1.00 0.00 O ATOM 297 OD2 ASP A 21 -6.527 7.639 19.388 1.00 0.00 O ATOM 0 H ASP A 21 -4.172 5.203 16.126 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.752 7.159 18.300 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.791 5.019 17.722 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.415 5.378 19.395 1.00 0.00 H new ATOM 302 N VAL A 22 -2.251 4.417 17.919 1.00 0.00 N ATOM 303 CA VAL A 22 -1.285 3.483 18.488 1.00 0.00 C ATOM 304 C VAL A 22 0.141 3.984 18.286 1.00 0.00 C ATOM 305 O VAL A 22 0.352 5.066 17.739 1.00 0.00 O ATOM 306 CB VAL A 22 -1.423 2.082 17.860 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.844 1.563 18.016 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.016 2.108 16.393 1.00 0.00 C ATOM 0 H VAL A 22 -2.296 4.412 16.900 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.496 3.414 19.555 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.752 1.403 18.387 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.921 0.573 17.566 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.095 1.501 19.075 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.536 2.242 17.518 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.121 1.109 15.969 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.657 2.802 15.850 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.022 2.431 16.309 1.00 0.00 H new ATOM 318 N SER A 23 1.120 3.190 18.713 1.00 0.00 N ATOM 319 CA SER A 23 2.516 3.571 18.550 1.00 0.00 C ATOM 320 C SER A 23 2.842 3.674 17.063 1.00 0.00 C ATOM 321 O SER A 23 3.062 4.771 16.549 1.00 0.00 O ATOM 322 CB SER A 23 3.444 2.574 19.249 1.00 0.00 C ATOM 323 OG SER A 23 3.977 3.123 20.442 1.00 0.00 O ATOM 0 H SER A 23 0.973 2.290 19.169 1.00 0.00 H new ATOM 0 HA SER A 23 2.676 4.543 19.017 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.895 1.661 19.479 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.257 2.297 18.578 1.00 0.00 H new ATOM 0 HG SER A 23 4.565 2.466 20.870 1.00 0.00 H new ATOM 329 N PRO A 24 2.841 2.541 16.332 1.00 0.00 N ATOM 330 CA PRO A 24 3.096 2.537 14.903 1.00 0.00 C ATOM 331 C PRO A 24 1.797 2.688 14.128 1.00 0.00 C ATOM 332 O PRO A 24 0.958 1.787 14.134 1.00 0.00 O ATOM 333 CB PRO A 24 3.684 1.155 14.683 1.00 0.00 C ATOM 334 CG PRO A 24 2.944 0.289 15.649 1.00 0.00 C ATOM 335 CD PRO A 24 2.557 1.173 16.818 1.00 0.00 C ATOM 0 HA PRO A 24 3.742 3.350 14.572 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.541 0.819 13.656 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.757 1.142 14.876 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.060 -0.144 15.182 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.568 -0.541 15.981 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.506 1.052 17.081 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.138 0.936 17.709 1.00 0.00 H new ATOM 343 N ALA A 25 1.622 3.830 13.479 1.00 0.00 N ATOM 344 CA ALA A 25 0.405 4.091 12.717 1.00 0.00 C ATOM 345 C ALA A 25 0.024 2.886 11.862 1.00 0.00 C ATOM 346 O ALA A 25 0.822 2.403 11.058 1.00 0.00 O ATOM 347 CB ALA A 25 0.567 5.337 11.862 1.00 0.00 C ATOM 0 H ALA A 25 2.303 4.589 13.463 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.407 4.266 13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.351 5.515 11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.773 6.194 12.503 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.395 5.196 11.167 1.00 0.00 H new ATOM 353 N GLU A 26 -1.193 2.394 12.062 1.00 0.00 N ATOM 354 CA GLU A 26 -1.678 1.231 11.332 1.00 0.00 C ATOM 355 C GLU A 26 -2.779 1.603 10.344 1.00 0.00 C ATOM 356 O GLU A 26 -3.268 2.732 10.325 1.00 0.00 O ATOM 357 CB GLU A 26 -2.201 0.179 12.312 1.00 0.00 C ATOM 358 CG GLU A 26 -1.222 -0.155 13.425 1.00 0.00 C ATOM 359 CD GLU A 26 -1.753 -1.218 14.368 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.605 -2.022 13.936 1.00 0.00 O ATOM 361 OE2 GLU A 26 -1.316 -1.245 15.538 1.00 0.00 O ATOM 0 H GLU A 26 -1.863 2.784 12.725 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.840 0.824 10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.132 0.536 12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.438 -0.732 11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.284 -0.498 12.988 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.999 0.749 13.991 1.00 0.00 H new ATOM 368 N LEU A 27 -3.159 0.628 9.531 1.00 0.00 N ATOM 369 CA LEU A 27 -4.201 0.793 8.529 1.00 0.00 C ATOM 370 C LEU A 27 -5.169 -0.381 8.625 1.00 0.00 C ATOM 371 O LEU A 27 -4.812 -1.514 8.305 1.00 0.00 O ATOM 372 CB LEU A 27 -3.567 0.853 7.134 1.00 0.00 C ATOM 373 CG LEU A 27 -4.480 1.349 6.010 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.786 2.436 5.201 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.891 0.196 5.104 1.00 0.00 C ATOM 0 H LEU A 27 -2.750 -0.306 9.549 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.745 1.721 8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.693 1.502 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.210 -0.144 6.874 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.379 1.771 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.449 2.777 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.540 3.274 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.871 2.036 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.540 0.569 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.002 -0.255 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.426 -0.553 5.688 1.00 0.00 H new ATOM 387 N THR A 28 -6.382 -0.119 9.098 1.00 0.00 N ATOM 388 CA THR A 28 -7.371 -1.181 9.267 1.00 0.00 C ATOM 389 C THR A 28 -8.530 -1.060 8.285 1.00 0.00 C ATOM 390 O THR A 28 -9.244 -0.057 8.267 1.00 0.00 O ATOM 391 CB THR A 28 -7.910 -1.170 10.698 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.869 -0.913 11.623 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.570 -2.471 11.099 1.00 0.00 C ATOM 0 H THR A 28 -6.704 0.810 9.370 1.00 0.00 H new ATOM 0 HA THR A 28 -6.865 -2.125 9.063 1.00 0.00 H new ATOM 0 HB THR A 28 -8.661 -0.380 10.718 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.234 -0.908 12.533 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.930 -2.395 12.125 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.410 -2.673 10.434 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.847 -3.283 11.027 1.00 0.00 H new ATOM 401 N TRP A 29 -8.721 -2.104 7.484 1.00 0.00 N ATOM 402 CA TRP A 29 -9.800 -2.142 6.516 1.00 0.00 C ATOM 403 C TRP A 29 -11.036 -2.799 7.122 1.00 0.00 C ATOM 404 O TRP A 29 -11.052 -4.005 7.364 1.00 0.00 O ATOM 405 CB TRP A 29 -9.367 -2.916 5.272 1.00 0.00 C ATOM 406 CG TRP A 29 -10.471 -3.085 4.279 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.991 -2.120 3.478 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.200 -4.283 3.997 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.997 -2.641 2.696 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.145 -3.971 3.000 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.143 -5.590 4.487 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -13.024 -4.921 2.486 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.017 -6.531 3.978 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.946 -6.193 2.987 1.00 0.00 C ATOM 0 H TRP A 29 -8.135 -2.939 7.491 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.044 -1.118 6.234 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.535 -2.396 4.798 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.000 -3.898 5.571 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.663 -1.091 3.457 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.542 -2.124 2.005 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.428 -5.860 5.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.741 -4.664 1.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.983 -7.544 4.351 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.616 -6.952 2.609 1.00 0.00 H new ATOM 425 N ARG A 30 -12.070 -2.003 7.354 1.00 0.00 N ATOM 426 CA ARG A 30 -13.313 -2.511 7.919 1.00 0.00 C ATOM 427 C ARG A 30 -14.418 -2.492 6.870 1.00 0.00 C ATOM 428 O ARG A 30 -14.830 -1.427 6.414 1.00 0.00 O ATOM 429 CB ARG A 30 -13.728 -1.677 9.133 1.00 0.00 C ATOM 430 CG ARG A 30 -12.873 -1.929 10.364 1.00 0.00 C ATOM 431 CD ARG A 30 -13.501 -1.325 11.610 1.00 0.00 C ATOM 432 NE ARG A 30 -12.964 0.001 11.907 1.00 0.00 N ATOM 433 CZ ARG A 30 -13.556 0.877 12.715 1.00 0.00 C ATOM 434 NH1 ARG A 30 -14.702 0.572 13.310 1.00 0.00 N ATOM 435 NH2 ARG A 30 -12.999 2.061 12.931 1.00 0.00 N ATOM 0 H ARG A 30 -12.073 -1.002 7.160 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.150 -3.540 8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.674 -0.620 8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.769 -1.893 9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.742 -3.002 10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.881 -1.504 10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.580 -1.257 11.475 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.327 -1.985 12.460 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.083 0.271 11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.134 -0.338 13.149 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.151 1.247 13.928 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.117 2.300 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.453 2.733 13.550 1.00 0.00 H new ATOM 449 N SER A 31 -14.889 -3.675 6.482 1.00 0.00 N ATOM 450 CA SER A 31 -15.941 -3.786 5.474 1.00 0.00 C ATOM 451 C SER A 31 -17.084 -2.817 5.760 1.00 0.00 C ATOM 452 O SER A 31 -17.177 -2.256 6.852 1.00 0.00 O ATOM 453 CB SER A 31 -16.473 -5.219 5.411 1.00 0.00 C ATOM 454 OG SER A 31 -17.137 -5.571 6.613 1.00 0.00 O ATOM 0 H SER A 31 -14.560 -4.568 6.849 1.00 0.00 H new ATOM 0 HA SER A 31 -15.506 -3.526 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.160 -5.319 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.648 -5.909 5.232 1.00 0.00 H new ATOM 0 HG SER A 31 -16.474 -5.784 7.303 1.00 0.00 H new ATOM 460 N THR A 32 -17.951 -2.627 4.772 1.00 0.00 N ATOM 461 CA THR A 32 -19.086 -1.731 4.915 1.00 0.00 C ATOM 462 C THR A 32 -20.157 -2.383 5.767 1.00 0.00 C ATOM 463 O THR A 32 -20.766 -1.749 6.629 1.00 0.00 O ATOM 464 CB THR A 32 -19.657 -1.373 3.544 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.925 -2.008 2.510 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.651 0.113 3.264 1.00 0.00 C ATOM 0 H THR A 32 -17.887 -3.084 3.862 1.00 0.00 H new ATOM 0 HA THR A 32 -18.749 -0.817 5.403 1.00 0.00 H new ATOM 0 HB THR A 32 -20.690 -1.720 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.026 -1.621 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.069 0.299 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.252 0.627 4.014 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.627 0.486 3.301 1.00 0.00 H new ATOM 474 N ASP A 33 -20.374 -3.660 5.509 1.00 0.00 N ATOM 475 CA ASP A 33 -21.367 -4.430 6.237 1.00 0.00 C ATOM 476 C ASP A 33 -20.806 -4.934 7.560 1.00 0.00 C ATOM 477 O ASP A 33 -21.527 -5.046 8.552 1.00 0.00 O ATOM 478 CB ASP A 33 -21.858 -5.606 5.391 1.00 0.00 C ATOM 479 CG ASP A 33 -22.370 -5.168 4.033 1.00 0.00 C ATOM 480 OD1 ASP A 33 -21.652 -4.413 3.344 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.488 -5.579 3.658 1.00 0.00 O ATOM 0 H ASP A 33 -19.872 -4.189 4.796 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.210 -3.773 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.044 -6.318 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.653 -6.127 5.925 1.00 0.00 H new ATOM 486 N GLY A 34 -19.517 -5.237 7.564 1.00 0.00 N ATOM 487 CA GLY A 34 -18.872 -5.727 8.767 1.00 0.00 C ATOM 488 C GLY A 34 -18.611 -7.219 8.716 1.00 0.00 C ATOM 489 O GLY A 34 -18.501 -7.873 9.753 1.00 0.00 O ATOM 0 H GLY A 34 -18.903 -5.152 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.928 -5.201 8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.498 -5.500 9.630 1.00 0.00 H new ATOM 493 N ASP A 35 -18.512 -7.758 7.506 1.00 0.00 N ATOM 494 CA ASP A 35 -18.262 -9.182 7.322 1.00 0.00 C ATOM 495 C ASP A 35 -16.808 -9.443 6.941 1.00 0.00 C ATOM 496 O ASP A 35 -16.320 -10.567 7.056 1.00 0.00 O ATOM 497 CB ASP A 35 -19.192 -9.749 6.247 1.00 0.00 C ATOM 498 CG ASP A 35 -19.667 -11.151 6.575 1.00 0.00 C ATOM 499 OD1 ASP A 35 -18.809 -12.033 6.791 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.896 -11.367 6.615 1.00 0.00 O ATOM 0 H ASP A 35 -18.601 -7.230 6.638 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.462 -9.682 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -20.055 -9.093 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.672 -9.759 5.289 1.00 0.00 H new ATOM 505 N LYS A 36 -16.117 -8.401 6.487 1.00 0.00 N ATOM 506 CA LYS A 36 -14.718 -8.530 6.091 1.00 0.00 C ATOM 507 C LYS A 36 -13.853 -7.487 6.786 1.00 0.00 C ATOM 508 O LYS A 36 -14.249 -6.331 6.930 1.00 0.00 O ATOM 509 CB LYS A 36 -14.581 -8.399 4.573 1.00 0.00 C ATOM 510 CG LYS A 36 -15.599 -9.221 3.798 1.00 0.00 C ATOM 511 CD LYS A 36 -14.960 -9.932 2.615 1.00 0.00 C ATOM 512 CE LYS A 36 -15.522 -11.333 2.438 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.998 -11.318 2.236 1.00 0.00 N ATOM 0 H LYS A 36 -16.501 -7.462 6.384 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.372 -9.518 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.686 -7.350 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.578 -8.707 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.056 -9.956 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.399 -8.571 3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.129 -9.354 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.881 -9.987 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.043 -11.811 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.282 -11.934 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.328 -12.280 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.464 -10.980 3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.234 -10.684 1.446 1.00 0.00 H new ATOM 527 N VAL A 37 -12.669 -7.907 7.221 1.00 0.00 N ATOM 528 CA VAL A 37 -11.749 -7.010 7.905 1.00 0.00 C ATOM 529 C VAL A 37 -10.297 -7.319 7.535 1.00 0.00 C ATOM 530 O VAL A 37 -9.975 -8.432 7.118 1.00 0.00 O ATOM 531 CB VAL A 37 -11.940 -7.089 9.441 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.811 -7.860 10.115 1.00 0.00 C ATOM 533 CG2 VAL A 37 -12.066 -5.694 10.030 1.00 0.00 C ATOM 0 H VAL A 37 -12.326 -8.861 7.111 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.975 -5.995 7.579 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.863 -7.636 9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.984 -7.892 11.191 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.779 -8.876 9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.861 -7.364 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.200 -5.766 11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.162 -5.125 9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.927 -5.190 9.590 1.00 0.00 H new ATOM 543 N HIS A 38 -9.427 -6.326 7.694 1.00 0.00 N ATOM 544 CA HIS A 38 -8.011 -6.489 7.381 1.00 0.00 C ATOM 545 C HIS A 38 -7.167 -5.478 8.151 1.00 0.00 C ATOM 546 O HIS A 38 -7.605 -4.356 8.404 1.00 0.00 O ATOM 547 CB HIS A 38 -7.773 -6.332 5.878 1.00 0.00 C ATOM 548 CG HIS A 38 -6.574 -7.078 5.382 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.427 -8.443 5.518 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.461 -6.643 4.745 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.275 -8.814 4.988 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.670 -7.742 4.512 1.00 0.00 N ATOM 0 H HIS A 38 -9.678 -5.399 8.038 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.712 -7.493 7.682 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.655 -6.679 5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.654 -5.274 5.646 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.237 -5.623 4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.893 -9.824 4.951 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.762 -7.731 4.047 1.00 0.00 H new ATOM 561 N THR A 39 -5.957 -5.883 8.525 1.00 0.00 N ATOM 562 CA THR A 39 -5.057 -5.011 9.271 1.00 0.00 C ATOM 563 C THR A 39 -3.750 -4.789 8.515 1.00 0.00 C ATOM 564 O THR A 39 -3.180 -5.722 7.950 1.00 0.00 O ATOM 565 CB THR A 39 -4.766 -5.606 10.650 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.801 -6.489 11.044 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.617 -4.560 11.734 1.00 0.00 C ATOM 0 H THR A 39 -5.578 -6.808 8.324 1.00 0.00 H new ATOM 0 HA THR A 39 -5.550 -4.046 9.392 1.00 0.00 H new ATOM 0 HB THR A 39 -3.818 -6.132 10.543 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.596 -6.860 11.927 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.412 -5.049 12.686 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.793 -3.892 11.484 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.539 -3.984 11.813 1.00 0.00 H new ATOM 575 N VAL A 40 -3.281 -3.545 8.516 1.00 0.00 N ATOM 576 CA VAL A 40 -2.040 -3.189 7.838 1.00 0.00 C ATOM 577 C VAL A 40 -1.229 -2.227 8.669 1.00 0.00 C ATOM 578 O VAL A 40 -1.711 -1.171 9.058 1.00 0.00 O ATOM 579 CB VAL A 40 -2.307 -2.547 6.468 1.00 0.00 C ATOM 580 CG1 VAL A 40 -1.209 -1.561 6.079 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.440 -3.624 5.422 1.00 0.00 C ATOM 0 H VAL A 40 -3.744 -2.764 8.981 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.484 -4.116 7.696 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.238 -1.984 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.436 -1.130 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.153 -0.767 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.253 -2.082 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.629 -3.167 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.518 -4.203 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.269 -4.282 5.681 1.00 0.00 H new ATOM 591 N VAL A 41 0.010 -2.581 8.922 1.00 0.00 N ATOM 592 CA VAL A 41 0.875 -1.708 9.695 1.00 0.00 C ATOM 593 C VAL A 41 1.829 -0.933 8.793 1.00 0.00 C ATOM 594 O VAL A 41 2.697 -1.515 8.142 1.00 0.00 O ATOM 595 CB VAL A 41 1.661 -2.474 10.777 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.592 -1.536 11.538 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.694 -3.155 11.731 1.00 0.00 C ATOM 0 H VAL A 41 0.440 -3.452 8.611 1.00 0.00 H new ATOM 0 HA VAL A 41 0.224 -0.997 10.204 1.00 0.00 H new ATOM 0 HB VAL A 41 2.274 -3.233 10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.136 -2.099 12.296 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.301 -1.084 10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.006 -0.753 12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.255 -3.695 12.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.064 -2.404 12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.069 -3.855 11.177 1.00 0.00 H new ATOM 607 N LEU A 42 1.661 0.384 8.762 1.00 0.00 N ATOM 608 CA LEU A 42 2.506 1.242 7.943 1.00 0.00 C ATOM 609 C LEU A 42 3.971 1.128 8.358 1.00 0.00 C ATOM 610 O LEU A 42 4.871 1.433 7.576 1.00 0.00 O ATOM 611 CB LEU A 42 2.039 2.695 8.043 1.00 0.00 C ATOM 612 CG LEU A 42 0.743 3.013 7.292 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.830 2.543 5.847 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.448 2.373 7.991 1.00 0.00 C ATOM 0 H LEU A 42 0.947 0.880 9.295 1.00 0.00 H new ATOM 0 HA LEU A 42 2.421 0.913 6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.902 2.945 9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.830 3.342 7.662 1.00 0.00 H new ATOM 0 HG LEU A 42 0.603 4.094 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.101 2.778 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.658 3.048 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.995 1.466 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.361 2.609 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.313 1.292 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.524 2.759 9.007 1.00 0.00 H new ATOM 626 N SER A 43 4.205 0.683 9.590 1.00 0.00 N ATOM 627 CA SER A 43 5.563 0.526 10.100 1.00 0.00 C ATOM 628 C SER A 43 6.355 -0.450 9.237 1.00 0.00 C ATOM 629 O SER A 43 7.573 -0.333 9.103 1.00 0.00 O ATOM 630 CB SER A 43 5.536 0.040 11.550 1.00 0.00 C ATOM 631 OG SER A 43 6.568 0.646 12.310 1.00 0.00 O ATOM 0 H SER A 43 3.473 0.425 10.252 1.00 0.00 H new ATOM 0 HA SER A 43 6.054 1.499 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.568 0.270 11.996 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.649 -1.044 11.576 1.00 0.00 H new ATOM 0 HG SER A 43 6.528 0.320 13.233 1.00 0.00 H new ATOM 637 N THR A 44 5.648 -1.405 8.649 1.00 0.00 N ATOM 638 CA THR A 44 6.272 -2.403 7.787 1.00 0.00 C ATOM 639 C THR A 44 6.237 -1.943 6.339 1.00 0.00 C ATOM 640 O THR A 44 7.134 -2.243 5.552 1.00 0.00 O ATOM 641 CB THR A 44 5.562 -3.755 7.920 1.00 0.00 C ATOM 642 OG1 THR A 44 4.485 -3.852 7.004 1.00 0.00 O ATOM 643 CG2 THR A 44 5.006 -4.007 9.304 1.00 0.00 C ATOM 0 H THR A 44 4.639 -1.511 8.753 1.00 0.00 H new ATOM 0 HA THR A 44 7.309 -2.522 8.099 1.00 0.00 H new ATOM 0 HB THR A 44 6.328 -4.501 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.811 -3.174 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.517 -4.981 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.818 -3.991 10.031 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.282 -3.231 9.552 1.00 0.00 H new ATOM 651 N ILE A 45 5.188 -1.208 6.003 1.00 0.00 N ATOM 652 CA ILE A 45 5.013 -0.688 4.653 1.00 0.00 C ATOM 653 C ILE A 45 6.244 0.102 4.211 1.00 0.00 C ATOM 654 O ILE A 45 6.436 1.248 4.617 1.00 0.00 O ATOM 655 CB ILE A 45 3.765 0.215 4.559 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.515 -0.554 5.008 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.594 0.756 3.143 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.059 -1.621 4.033 1.00 0.00 C ATOM 0 H ILE A 45 4.440 -0.956 6.650 1.00 0.00 H new ATOM 0 HA ILE A 45 4.879 -1.544 3.991 1.00 0.00 H new ATOM 0 HB ILE A 45 3.902 1.065 5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.716 -1.021 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.701 0.155 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.708 1.390 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.472 1.341 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.479 -0.075 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.171 -2.117 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.824 -1.160 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.854 -2.354 3.898 1.00 0.00 H new ATOM 670 N ASP A 46 7.075 -0.522 3.384 1.00 0.00 N ATOM 671 CA ASP A 46 8.288 0.118 2.892 1.00 0.00 C ATOM 672 C ASP A 46 7.966 1.183 1.846 1.00 0.00 C ATOM 673 O ASP A 46 8.653 2.201 1.754 1.00 0.00 O ATOM 674 CB ASP A 46 9.236 -0.927 2.301 1.00 0.00 C ATOM 675 CG ASP A 46 10.629 -0.377 2.064 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.978 0.645 2.692 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.370 -0.967 1.250 1.00 0.00 O ATOM 0 H ASP A 46 6.930 -1.471 3.040 1.00 0.00 H new ATOM 0 HA ASP A 46 8.775 0.607 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.296 -1.782 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.828 -1.292 1.359 1.00 0.00 H new ATOM 682 N LYS A 47 6.920 0.946 1.058 1.00 0.00 N ATOM 683 CA LYS A 47 6.518 1.893 0.023 1.00 0.00 C ATOM 684 C LYS A 47 4.998 1.994 -0.074 1.00 0.00 C ATOM 685 O LYS A 47 4.273 1.129 0.417 1.00 0.00 O ATOM 686 CB LYS A 47 7.094 1.481 -1.335 1.00 0.00 C ATOM 687 CG LYS A 47 8.591 1.221 -1.312 1.00 0.00 C ATOM 688 CD LYS A 47 8.904 -0.205 -0.889 1.00 0.00 C ATOM 689 CE LYS A 47 9.147 -1.103 -2.091 1.00 0.00 C ATOM 690 NZ LYS A 47 10.383 -0.720 -2.829 1.00 0.00 N ATOM 0 H LYS A 47 6.338 0.110 1.116 1.00 0.00 H new ATOM 0 HA LYS A 47 6.913 2.871 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.583 0.581 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.882 2.265 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.009 1.408 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.072 1.919 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.784 -0.210 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.077 -0.600 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.228 -2.138 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.291 -1.049 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.750 -1.546 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.163 0.040 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.101 -0.386 -2.154 1.00 0.00 H new ATOM 704 N LEU A 48 4.528 3.056 -0.720 1.00 0.00 N ATOM 705 CA LEU A 48 3.098 3.283 -0.898 1.00 0.00 C ATOM 706 C LEU A 48 2.755 3.352 -2.382 1.00 0.00 C ATOM 707 O LEU A 48 3.613 3.656 -3.210 1.00 0.00 O ATOM 708 CB LEU A 48 2.678 4.578 -0.197 1.00 0.00 C ATOM 709 CG LEU A 48 1.248 5.048 -0.475 1.00 0.00 C ATOM 710 CD1 LEU A 48 0.246 4.187 0.278 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.087 6.512 -0.093 1.00 0.00 C ATOM 0 H LEU A 48 5.121 3.777 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 48 2.553 2.450 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.794 4.442 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.366 5.370 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 48 1.053 4.946 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.765 4.537 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.345 3.150 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.439 4.257 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.065 6.831 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.301 6.637 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.779 7.119 -0.677 1.00 0.00 H new ATOM 723 N GLN A 49 1.502 3.065 -2.717 1.00 0.00 N ATOM 724 CA GLN A 49 1.069 3.099 -4.111 1.00 0.00 C ATOM 725 C GLN A 49 -0.328 3.695 -4.244 1.00 0.00 C ATOM 726 O GLN A 49 -1.201 3.458 -3.410 1.00 0.00 O ATOM 727 CB GLN A 49 1.094 1.693 -4.717 1.00 0.00 C ATOM 728 CG GLN A 49 2.317 0.879 -4.321 1.00 0.00 C ATOM 729 CD GLN A 49 2.785 -0.045 -5.429 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.640 -1.264 -5.339 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.351 0.534 -6.482 1.00 0.00 N ATOM 0 H GLN A 49 0.774 2.808 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 49 1.766 3.735 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.196 1.158 -4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.059 1.774 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.128 1.556 -4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.085 0.289 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.451 1.549 -6.514 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.686 -0.036 -7.259 1.00 0.00 H new ATOM 740 N ALA A 50 -0.527 4.470 -5.305 1.00 0.00 N ATOM 741 CA ALA A 50 -1.813 5.105 -5.564 1.00 0.00 C ATOM 742 C ALA A 50 -1.918 5.543 -7.020 1.00 0.00 C ATOM 743 O ALA A 50 -0.989 6.136 -7.568 1.00 0.00 O ATOM 744 CB ALA A 50 -2.012 6.294 -4.636 1.00 0.00 C ATOM 0 H ALA A 50 0.190 4.674 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.599 4.375 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.977 6.758 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.985 5.956 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.217 7.021 -4.801 1.00 0.00 H new ATOM 847 N MET A 58 -8.710 3.443 -10.693 1.00 0.00 N ATOM 848 CA MET A 58 -8.472 3.899 -9.329 1.00 0.00 C ATOM 849 C MET A 58 -8.198 2.720 -8.401 1.00 0.00 C ATOM 850 O MET A 58 -9.109 1.972 -8.045 1.00 0.00 O ATOM 851 CB MET A 58 -9.674 4.696 -8.819 1.00 0.00 C ATOM 852 CG MET A 58 -10.170 5.746 -9.801 1.00 0.00 C ATOM 853 SD MET A 58 -9.706 7.422 -9.323 1.00 0.00 S ATOM 854 CE MET A 58 -8.546 7.836 -10.622 1.00 0.00 C ATOM 0 HA MET A 58 -7.593 4.544 -9.336 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.488 4.006 -8.596 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.404 5.185 -7.883 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.768 5.530 -10.791 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.255 5.682 -9.877 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.169 8.847 -10.465 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.714 7.132 -10.605 1.00 0.00 H new ATOM 0 HE3 MET A 58 -9.047 7.782 -11.588 1.00 0.00 H new ATOM 864 N MET A 59 -6.937 2.558 -8.012 1.00 0.00 N ATOM 865 CA MET A 59 -6.542 1.469 -7.126 1.00 0.00 C ATOM 866 C MET A 59 -5.274 1.825 -6.356 1.00 0.00 C ATOM 867 O MET A 59 -4.346 2.416 -6.908 1.00 0.00 O ATOM 868 CB MET A 59 -6.318 0.185 -7.928 1.00 0.00 C ATOM 869 CG MET A 59 -7.444 -0.135 -8.897 1.00 0.00 C ATOM 870 SD MET A 59 -7.172 -1.676 -9.792 1.00 0.00 S ATOM 871 CE MET A 59 -5.759 -1.235 -10.800 1.00 0.00 C ATOM 0 H MET A 59 -6.171 3.168 -8.297 1.00 0.00 H new ATOM 0 HA MET A 59 -7.348 1.308 -6.411 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.385 0.273 -8.485 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.198 -0.649 -7.236 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.383 -0.199 -8.348 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.547 0.682 -9.611 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.633 -1.973 -11.592 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.920 -0.252 -11.242 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.863 -1.212 -10.180 1.00 0.00 H new ATOM 881 N LEU A 60 -5.241 1.459 -5.078 1.00 0.00 N ATOM 882 CA LEU A 60 -4.084 1.740 -4.232 1.00 0.00 C ATOM 883 C LEU A 60 -3.391 0.448 -3.804 1.00 0.00 C ATOM 884 O LEU A 60 -4.004 -0.619 -3.782 1.00 0.00 O ATOM 885 CB LEU A 60 -4.509 2.534 -2.996 1.00 0.00 C ATOM 886 CG LEU A 60 -4.536 4.053 -3.178 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.700 4.464 -4.066 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.621 4.748 -1.828 1.00 0.00 C ATOM 0 H LEU A 60 -6.000 0.968 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.379 2.334 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.502 2.202 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.830 2.294 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.610 4.359 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.703 5.548 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.596 3.993 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.637 4.146 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.639 5.828 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.531 4.436 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.754 4.479 -1.225 1.00 0.00 H new ATOM 900 N ARG A 61 -2.109 0.554 -3.465 1.00 0.00 N ATOM 901 CA ARG A 61 -1.329 -0.604 -3.034 1.00 0.00 C ATOM 902 C ARG A 61 -0.201 -0.177 -2.100 1.00 0.00 C ATOM 903 O ARG A 61 0.327 0.925 -2.218 1.00 0.00 O ATOM 904 CB ARG A 61 -0.745 -1.346 -4.243 1.00 0.00 C ATOM 905 CG ARG A 61 -1.588 -1.238 -5.504 1.00 0.00 C ATOM 906 CD ARG A 61 -0.824 -1.717 -6.729 1.00 0.00 C ATOM 907 NE ARG A 61 -0.283 -3.063 -6.550 1.00 0.00 N ATOM 908 CZ ARG A 61 0.095 -3.849 -7.556 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.003 -3.427 -8.810 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.573 -5.060 -7.306 1.00 0.00 N ATOM 0 H ARG A 61 -1.587 1.430 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.998 -1.276 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.251 -0.954 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.626 -2.399 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.497 -1.829 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.897 -0.203 -5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.485 -1.705 -7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.009 -1.025 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.190 -3.421 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.370 -2.496 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.288 -4.034 -9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.651 -5.389 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.863 -5.663 -8.076 1.00 0.00 H new ATOM 924 N LEU A 62 0.164 -1.051 -1.169 1.00 0.00 N ATOM 925 CA LEU A 62 1.232 -0.749 -0.222 1.00 0.00 C ATOM 926 C LEU A 62 2.275 -1.861 -0.188 1.00 0.00 C ATOM 927 O LEU A 62 1.938 -3.038 -0.060 1.00 0.00 O ATOM 928 CB LEU A 62 0.656 -0.531 1.174 1.00 0.00 C ATOM 929 CG LEU A 62 0.191 0.898 1.459 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.309 1.012 1.267 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.581 1.326 2.866 1.00 0.00 C ATOM 0 H LEU A 62 -0.261 -1.970 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 62 1.723 0.166 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.187 -1.207 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.411 -0.806 1.911 1.00 0.00 H new ATOM 0 HG LEU A 62 0.686 1.565 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.626 2.034 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.565 0.753 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.816 0.330 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.239 2.346 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.119 0.656 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.665 1.283 2.972 1.00 0.00 H new ATOM 943 N ILE A 63 3.544 -1.479 -0.295 1.00 0.00 N ATOM 944 CA ILE A 63 4.638 -2.441 -0.268 1.00 0.00 C ATOM 945 C ILE A 63 5.084 -2.716 1.162 1.00 0.00 C ATOM 946 O ILE A 63 5.396 -1.793 1.912 1.00 0.00 O ATOM 947 CB ILE A 63 5.847 -1.940 -1.085 1.00 0.00 C ATOM 948 CG1 ILE A 63 5.437 -1.697 -2.536 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.994 -2.940 -1.016 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.873 -2.928 -3.207 1.00 0.00 C ATOM 0 H ILE A 63 3.839 -0.508 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 63 4.265 -3.362 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 63 6.190 -0.999 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.694 -0.900 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.303 -1.349 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.837 -2.568 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.300 -3.071 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.667 -3.897 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.601 -2.690 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.622 -3.720 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.988 -3.264 -2.666 1.00 0.00 H new ATOM 962 N GLY A 64 5.117 -3.991 1.531 1.00 0.00 N ATOM 963 CA GLY A 64 5.530 -4.364 2.872 1.00 0.00 C ATOM 964 C GLY A 64 7.022 -4.615 2.967 1.00 0.00 C ATOM 965 O GLY A 64 7.693 -4.790 1.950 1.00 0.00 O ATOM 0 H GLY A 64 4.865 -4.773 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.252 -3.573 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.993 -5.262 3.178 1.00 0.00 H new ATOM 969 N LYS A 65 7.545 -4.634 4.189 1.00 0.00 N ATOM 970 CA LYS A 65 8.969 -4.867 4.401 1.00 0.00 C ATOM 971 C LYS A 65 9.340 -6.304 4.052 1.00 0.00 C ATOM 972 O LYS A 65 8.625 -7.244 4.402 1.00 0.00 O ATOM 973 CB LYS A 65 9.348 -4.562 5.853 1.00 0.00 C ATOM 974 CG LYS A 65 10.539 -3.625 5.987 1.00 0.00 C ATOM 975 CD LYS A 65 10.332 -2.339 5.202 1.00 0.00 C ATOM 976 CE LYS A 65 10.786 -1.123 5.995 1.00 0.00 C ATOM 977 NZ LYS A 65 9.869 0.035 5.809 1.00 0.00 N ATOM 0 H LYS A 65 7.007 -4.492 5.044 1.00 0.00 H new ATOM 0 HA LYS A 65 9.525 -4.199 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.490 -4.120 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.573 -5.497 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.699 -3.388 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.439 -4.127 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.885 -2.391 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.278 -2.234 4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.838 -1.379 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.793 -0.842 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.766 0.545 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.262 0.677 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.938 -0.306 5.496 1.00 0.00 H new ATOM 1007 N ASP A 67 13.218 -8.465 3.133 1.00 0.00 N ATOM 1008 CA ASP A 67 14.455 -8.869 3.791 1.00 0.00 C ATOM 1009 C ASP A 67 15.602 -8.947 2.789 1.00 0.00 C ATOM 1010 O ASP A 67 15.624 -9.821 1.922 1.00 0.00 O ATOM 1011 CB ASP A 67 14.272 -10.223 4.481 1.00 0.00 C ATOM 1012 CG ASP A 67 15.265 -10.437 5.606 1.00 0.00 C ATOM 1013 OD1 ASP A 67 16.378 -9.876 5.531 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.929 -11.166 6.563 1.00 0.00 O ATOM 0 HA ASP A 67 14.701 -8.117 4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.259 -10.292 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.382 -11.020 3.746 1.00 0.00 H new ATOM 1019 N GLU A 68 16.553 -8.027 2.914 1.00 0.00 N ATOM 1020 CA GLU A 68 17.704 -7.992 2.018 1.00 0.00 C ATOM 1021 C GLU A 68 18.929 -8.614 2.680 1.00 0.00 C ATOM 1022 O GLU A 68 20.063 -8.229 2.394 1.00 0.00 O ATOM 1023 CB GLU A 68 18.009 -6.551 1.604 1.00 0.00 C ATOM 1024 CG GLU A 68 16.866 -5.877 0.862 1.00 0.00 C ATOM 1025 CD GLU A 68 17.157 -4.425 0.540 1.00 0.00 C ATOM 1026 OE1 GLU A 68 17.067 -3.583 1.459 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.475 -4.128 -0.631 1.00 0.00 O ATOM 0 H GLU A 68 16.550 -7.297 3.626 1.00 0.00 H new ATOM 0 HA GLU A 68 17.460 -8.575 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.247 -5.969 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.897 -6.543 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.669 -6.418 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.960 -5.937 1.465 1.00 0.00 H new ATOM 1034 N SER A 69 18.694 -9.577 3.564 1.00 0.00 N ATOM 1035 CA SER A 69 19.779 -10.254 4.266 1.00 0.00 C ATOM 1036 C SER A 69 19.808 -11.739 3.920 1.00 0.00 C ATOM 1037 O SER A 69 20.213 -12.568 4.734 1.00 0.00 O ATOM 1038 CB SER A 69 19.628 -10.073 5.777 1.00 0.00 C ATOM 1039 OG SER A 69 20.250 -8.877 6.213 1.00 0.00 O ATOM 0 H SER A 69 17.761 -9.907 3.812 1.00 0.00 H new ATOM 0 HA SER A 69 20.720 -9.807 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.570 -10.053 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.069 -10.925 6.294 1.00 0.00 H new ATOM 0 HG SER A 69 20.138 -8.784 7.182 1.00 0.00 H new ATOM 1045 N LYS A 70 19.374 -12.067 2.707 1.00 0.00 N ATOM 1046 CA LYS A 70 19.351 -13.453 2.253 1.00 0.00 C ATOM 1047 C LYS A 70 19.726 -13.549 0.778 1.00 0.00 C ATOM 1048 O LYS A 70 20.617 -14.312 0.402 1.00 0.00 O ATOM 1049 CB LYS A 70 17.966 -14.062 2.479 1.00 0.00 C ATOM 1050 CG LYS A 70 17.592 -14.195 3.946 1.00 0.00 C ATOM 1051 CD LYS A 70 18.191 -15.449 4.563 1.00 0.00 C ATOM 1052 CE LYS A 70 17.356 -16.679 4.246 1.00 0.00 C ATOM 1053 NZ LYS A 70 17.865 -17.403 3.049 1.00 0.00 N ATOM 0 H LYS A 70 19.034 -11.393 2.022 1.00 0.00 H new ATOM 0 HA LYS A 70 20.086 -14.011 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.221 -13.445 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.931 -15.047 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.940 -13.318 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.507 -14.222 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 70 19.205 -15.590 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.263 -15.325 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.359 -17.351 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.321 -16.381 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.135 -17.404 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.719 -16.928 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.097 -18.383 3.309 1.00 0.00 H new ATOM 1067 N LYS A 71 19.041 -12.771 -0.054 1.00 0.00 N ATOM 1068 CA LYS A 71 19.303 -12.768 -1.489 1.00 0.00 C ATOM 1069 C LYS A 71 19.041 -14.144 -2.092 1.00 0.00 C ATOM 1070 O LYS A 71 19.134 -15.162 -1.406 1.00 0.00 O ATOM 1071 CB LYS A 71 20.746 -12.343 -1.765 1.00 0.00 C ATOM 1072 CG LYS A 71 20.911 -10.845 -1.968 1.00 0.00 C ATOM 1073 CD LYS A 71 20.921 -10.481 -3.444 1.00 0.00 C ATOM 1074 CE LYS A 71 20.474 -9.045 -3.666 1.00 0.00 C ATOM 1075 NZ LYS A 71 20.655 -8.620 -5.082 1.00 0.00 N ATOM 0 H LYS A 71 18.300 -12.135 0.241 1.00 0.00 H new ATOM 0 HA LYS A 71 18.626 -12.052 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 71 21.375 -12.660 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 71 21.106 -12.863 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 71 20.099 -10.317 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 71 21.840 -10.514 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.925 -10.617 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.264 -11.157 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.425 -8.944 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.042 -8.383 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.339 -7.635 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.660 -8.692 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.093 -9.236 -5.704 1.00 0.00 H new ATOM 1089 N ARG A 72 18.712 -14.167 -3.380 1.00 0.00 N ATOM 1090 CA ARG A 72 18.436 -15.419 -4.076 1.00 0.00 C ATOM 1091 C ARG A 72 18.157 -15.170 -5.555 1.00 0.00 C ATOM 1092 O ARG A 72 18.199 -14.032 -6.022 1.00 0.00 O ATOM 1093 CB ARG A 72 17.245 -16.133 -3.433 1.00 0.00 C ATOM 1094 CG ARG A 72 15.970 -15.305 -3.431 1.00 0.00 C ATOM 1095 CD ARG A 72 14.742 -16.170 -3.669 1.00 0.00 C ATOM 1096 NE ARG A 72 14.023 -16.453 -2.429 1.00 0.00 N ATOM 1097 CZ ARG A 72 12.760 -16.869 -2.383 1.00 0.00 C ATOM 1098 NH1 ARG A 72 12.073 -17.052 -3.503 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.182 -17.103 -1.213 1.00 0.00 N ATOM 0 H ARG A 72 18.630 -13.334 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 72 19.319 -16.053 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.061 -17.067 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.500 -16.395 -2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.872 -14.788 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.032 -14.539 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.074 -15.667 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.044 -17.108 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 72 14.518 -16.324 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.513 -16.874 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.105 -17.371 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.706 -16.964 -0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.214 -17.422 -1.177 1.00 0.00 H new ATOM 1113 N LYS A 73 17.870 -16.243 -6.286 1.00 0.00 N ATOM 1114 CA LYS A 73 17.583 -16.142 -7.712 1.00 0.00 C ATOM 1115 C LYS A 73 16.132 -16.513 -8.002 1.00 0.00 C ATOM 1116 O LYS A 73 15.371 -16.839 -7.091 1.00 0.00 O ATOM 1117 CB LYS A 73 18.522 -17.049 -8.508 1.00 0.00 C ATOM 1118 CG LYS A 73 19.902 -16.452 -8.730 1.00 0.00 C ATOM 1119 CD LYS A 73 20.902 -16.963 -7.705 1.00 0.00 C ATOM 1120 CE LYS A 73 22.272 -17.184 -8.326 1.00 0.00 C ATOM 1121 NZ LYS A 73 23.367 -17.011 -7.331 1.00 0.00 N ATOM 0 H LYS A 73 17.830 -17.192 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 73 17.743 -15.108 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 73 18.626 -17.999 -7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 73 18.070 -17.267 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 73 20.249 -16.699 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 73 19.843 -15.365 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 73 20.983 -16.248 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 73 20.540 -17.898 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 73 22.321 -18.187 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 73 22.415 -16.484 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 24.285 -17.170 -7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 23.336 -16.046 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 23.245 -17.696 -6.558 1.00 0.00 H new ATOM 1135 N ASP A 74 15.756 -16.462 -9.275 1.00 0.00 N ATOM 1136 CA ASP A 74 14.395 -16.794 -9.684 1.00 0.00 C ATOM 1137 C ASP A 74 14.323 -18.211 -10.248 1.00 0.00 C ATOM 1138 O ASP A 74 13.444 -18.524 -11.051 1.00 0.00 O ATOM 1139 CB ASP A 74 13.896 -15.793 -10.726 1.00 0.00 C ATOM 1140 CG ASP A 74 12.415 -15.499 -10.583 1.00 0.00 C ATOM 1141 OD1 ASP A 74 12.017 -14.951 -9.533 1.00 0.00 O ATOM 1142 OD2 ASP A 74 11.653 -15.818 -11.520 1.00 0.00 O ATOM 0 H ASP A 74 16.373 -16.194 -10.041 1.00 0.00 H new ATOM 0 HA ASP A 74 13.756 -16.742 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.459 -14.864 -10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.091 -16.184 -11.724 1.00 0.00 H new ATOM 1147 N ASN A 75 15.254 -19.065 -9.822 1.00 0.00 N ATOM 1148 CA ASN A 75 15.301 -20.453 -10.281 1.00 0.00 C ATOM 1149 C ASN A 75 15.862 -20.561 -11.700 1.00 0.00 C ATOM 1150 O ASN A 75 15.980 -21.659 -12.244 1.00 0.00 O ATOM 1151 CB ASN A 75 13.907 -21.082 -10.230 1.00 0.00 C ATOM 1152 CG ASN A 75 13.957 -22.590 -10.081 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.687 -23.119 -9.242 1.00 0.00 O ATOM 1154 ND2 ASN A 75 13.180 -23.292 -10.898 1.00 0.00 N ATOM 0 H ASN A 75 15.988 -18.819 -9.158 1.00 0.00 H new ATOM 0 HA ASN A 75 15.968 -20.994 -9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.350 -20.656 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.363 -20.828 -11.140 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.173 -24.311 -10.845 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.591 -22.813 -11.579 1.00 0.00 H new ATOM 1161 N GLU A 76 16.208 -19.423 -12.298 1.00 0.00 N ATOM 1162 CA GLU A 76 16.753 -19.406 -13.649 1.00 0.00 C ATOM 1163 C GLU A 76 18.239 -19.080 -13.623 1.00 0.00 C ATOM 1164 O GLU A 76 19.005 -19.534 -14.473 1.00 0.00 O ATOM 1165 CB GLU A 76 16.014 -18.378 -14.510 1.00 0.00 C ATOM 1166 CG GLU A 76 14.588 -18.110 -14.057 1.00 0.00 C ATOM 1167 CD GLU A 76 13.870 -17.115 -14.948 1.00 0.00 C ATOM 1168 OE1 GLU A 76 13.286 -17.544 -15.966 1.00 0.00 O ATOM 1169 OE2 GLU A 76 13.891 -15.908 -14.628 1.00 0.00 O ATOM 0 H GLU A 76 16.120 -18.503 -11.867 1.00 0.00 H new ATOM 0 HA GLU A 76 16.617 -20.397 -14.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.571 -17.441 -14.499 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.998 -18.727 -15.542 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.032 -19.048 -14.045 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.600 -17.733 -13.034 1.00 0.00 H new ATOM 1176 N GLY A 77 18.634 -18.289 -12.638 1.00 0.00 N ATOM 1177 CA GLY A 77 20.026 -17.902 -12.501 1.00 0.00 C ATOM 1178 C GLY A 77 20.212 -16.397 -12.493 1.00 0.00 C ATOM 1179 O GLY A 77 21.215 -15.887 -12.993 1.00 0.00 O ATOM 0 H GLY A 77 18.013 -17.905 -11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 77 20.427 -18.319 -11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.602 -18.332 -13.321 1.00 0.00 H new ATOM 1183 N ASN A 78 19.244 -15.685 -11.925 1.00 0.00 N ATOM 1184 CA ASN A 78 19.307 -14.230 -11.854 1.00 0.00 C ATOM 1185 C ASN A 78 19.149 -13.749 -10.415 1.00 0.00 C ATOM 1186 O ASN A 78 18.069 -13.845 -9.833 1.00 0.00 O ATOM 1187 CB ASN A 78 18.221 -13.608 -12.734 1.00 0.00 C ATOM 1188 CG ASN A 78 18.242 -14.153 -14.149 1.00 0.00 C ATOM 1189 OD1 ASN A 78 19.303 -14.450 -14.697 1.00 0.00 O ATOM 1190 ND2 ASN A 78 17.064 -14.286 -14.749 1.00 0.00 N ATOM 0 H ASN A 78 18.407 -16.092 -11.507 1.00 0.00 H new ATOM 0 HA ASN A 78 20.285 -13.915 -12.219 1.00 0.00 H new ATOM 0 HB2 ASN A 78 17.244 -13.797 -12.289 1.00 0.00 H new ATOM 0 HB3 ASN A 78 18.355 -12.527 -12.762 1.00 0.00 H new ATOM 0 HD21 ASN A 78 17.015 -14.647 -15.702 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.209 -14.027 -14.257 1.00 0.00 H new ATOM 1197 N GLU A 79 20.233 -13.231 -9.847 1.00 0.00 N ATOM 1198 CA GLU A 79 20.216 -12.735 -8.476 1.00 0.00 C ATOM 1199 C GLU A 79 19.180 -11.627 -8.309 1.00 0.00 C ATOM 1200 O GLU A 79 19.382 -10.502 -8.765 1.00 0.00 O ATOM 1201 CB GLU A 79 21.600 -12.218 -8.080 1.00 0.00 C ATOM 1202 CG GLU A 79 22.250 -11.347 -9.143 1.00 0.00 C ATOM 1203 CD GLU A 79 23.368 -10.486 -8.587 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.377 -10.242 -7.362 1.00 0.00 O ATOM 1205 OE2 GLU A 79 24.235 -10.056 -9.377 1.00 0.00 O ATOM 0 H GLU A 79 21.135 -13.144 -10.315 1.00 0.00 H new ATOM 0 HA GLU A 79 19.944 -13.563 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.515 -11.646 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.250 -13.068 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.645 -11.982 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.493 -10.706 -9.595 1.00 0.00 H new ATOM 1212 N VAL A 80 18.072 -11.955 -7.652 1.00 0.00 N ATOM 1213 CA VAL A 80 17.005 -10.988 -7.424 1.00 0.00 C ATOM 1214 C VAL A 80 16.716 -10.832 -5.934 1.00 0.00 C ATOM 1215 O VAL A 80 17.415 -11.397 -5.093 1.00 0.00 O ATOM 1216 CB VAL A 80 15.710 -11.399 -8.154 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.960 -11.536 -9.647 1.00 0.00 C ATOM 1218 CG2 VAL A 80 15.155 -12.695 -7.579 1.00 0.00 C ATOM 0 H VAL A 80 17.890 -12.882 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 80 17.348 -10.034 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 80 14.968 -10.616 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.035 -11.827 -10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.304 -10.582 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.720 -12.298 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.242 -12.966 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.892 -13.490 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.934 -12.558 -6.521 1.00 0.00 H new ATOM 1228 N VAL A 81 15.681 -10.063 -5.613 1.00 0.00 N ATOM 1229 CA VAL A 81 15.300 -9.835 -4.224 1.00 0.00 C ATOM 1230 C VAL A 81 13.902 -10.382 -3.942 1.00 0.00 C ATOM 1231 O VAL A 81 12.995 -10.235 -4.761 1.00 0.00 O ATOM 1232 CB VAL A 81 15.331 -8.335 -3.873 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.121 -8.131 -2.380 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.641 -7.708 -4.325 1.00 0.00 C ATOM 0 H VAL A 81 15.091 -9.587 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 81 16.027 -10.361 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 81 14.516 -7.840 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.146 -7.066 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.154 -8.542 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.912 -8.639 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.645 -6.649 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.473 -8.205 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.745 -7.821 -5.404 1.00 0.00 H new ATOM 1244 N PRO A 82 13.706 -11.024 -2.776 1.00 0.00 N ATOM 1245 CA PRO A 82 12.408 -11.591 -2.398 1.00 0.00 C ATOM 1246 C PRO A 82 11.278 -10.572 -2.510 1.00 0.00 C ATOM 1247 O PRO A 82 11.364 -9.473 -1.962 1.00 0.00 O ATOM 1248 CB PRO A 82 12.610 -12.007 -0.939 1.00 0.00 C ATOM 1249 CG PRO A 82 14.076 -12.233 -0.810 1.00 0.00 C ATOM 1250 CD PRO A 82 14.730 -11.248 -1.737 1.00 0.00 C ATOM 0 HA PRO A 82 12.117 -12.413 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.267 -11.231 -0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.048 -12.911 -0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.405 -12.080 0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.338 -13.256 -1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.989 -10.323 -1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.652 -11.646 -2.161 1.00 0.00 H new ATOM 1258 N LYS A 83 10.220 -10.945 -3.223 1.00 0.00 N ATOM 1259 CA LYS A 83 9.073 -10.063 -3.408 1.00 0.00 C ATOM 1260 C LYS A 83 8.490 -9.634 -2.060 1.00 0.00 C ATOM 1261 O LYS A 83 8.140 -10.477 -1.233 1.00 0.00 O ATOM 1262 CB LYS A 83 7.997 -10.762 -4.241 1.00 0.00 C ATOM 1263 CG LYS A 83 8.361 -10.904 -5.710 1.00 0.00 C ATOM 1264 CD LYS A 83 8.965 -12.268 -6.005 1.00 0.00 C ATOM 1265 CE LYS A 83 9.085 -12.512 -7.500 1.00 0.00 C ATOM 1266 NZ LYS A 83 9.939 -13.693 -7.803 1.00 0.00 N ATOM 0 H LYS A 83 10.133 -11.852 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 83 9.413 -9.172 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.812 -11.752 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.065 -10.203 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.471 -10.759 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.069 -10.123 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.950 -12.338 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.347 -13.046 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.092 -12.664 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.505 -11.628 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.500 -13.506 -8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.578 -13.874 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.336 -14.526 -7.960 1.00 0.00 H new ATOM 1280 N PRO A 84 8.377 -8.315 -1.818 1.00 0.00 N ATOM 1281 CA PRO A 84 7.835 -7.786 -0.564 1.00 0.00 C ATOM 1282 C PRO A 84 6.318 -7.911 -0.485 1.00 0.00 C ATOM 1283 O PRO A 84 5.606 -7.526 -1.413 1.00 0.00 O ATOM 1284 CB PRO A 84 8.245 -6.318 -0.601 1.00 0.00 C ATOM 1285 CG PRO A 84 8.283 -5.990 -2.047 1.00 0.00 C ATOM 1286 CD PRO A 84 8.768 -7.233 -2.743 1.00 0.00 C ATOM 0 HA PRO A 84 8.208 -8.330 0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.530 -5.691 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.216 -6.163 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.296 -5.701 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.951 -5.150 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.304 -7.353 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.846 -7.210 -2.902 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.144 -5.045 -0.015 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.599 -5.127 0.053 1.00 0.00 C ATOM 1337 C HIS A 87 -2.230 -4.321 -1.077 1.00 0.00 C ATOM 1338 O HIS A 87 -2.157 -3.092 -1.089 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.108 -4.613 1.404 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.140 -4.804 2.532 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.966 -6.010 3.179 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.290 -3.934 3.128 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.052 -5.872 4.124 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.374 -4.623 4.113 1.00 0.00 N ATOM 0 HA HIS A 87 -1.885 -6.173 -0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.340 -3.552 1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.040 -5.123 1.648 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -1.465 -6.873 2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.159 -2.892 2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.288 -6.650 4.792 1.00 0.00 H new ATOM 1353 N MET A 88 -2.845 -5.017 -2.027 1.00 0.00 N ATOM 1354 CA MET A 88 -3.481 -4.357 -3.160 1.00 0.00 C ATOM 1355 C MET A 88 -4.934 -4.013 -2.853 1.00 0.00 C ATOM 1356 O MET A 88 -5.705 -4.863 -2.407 1.00 0.00 O ATOM 1357 CB MET A 88 -3.401 -5.241 -4.407 1.00 0.00 C ATOM 1358 CG MET A 88 -2.677 -4.580 -5.567 1.00 0.00 C ATOM 1359 SD MET A 88 -3.805 -3.952 -6.825 1.00 0.00 S ATOM 1360 CE MET A 88 -2.823 -4.186 -8.303 1.00 0.00 C ATOM 0 H MET A 88 -2.916 -6.034 -2.035 1.00 0.00 H new ATOM 0 HA MET A 88 -2.944 -3.427 -3.350 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.892 -6.171 -4.153 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.411 -5.506 -4.721 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.068 -3.759 -5.189 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.996 -5.299 -6.022 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.455 -4.573 -9.102 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.394 -3.232 -8.610 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.021 -4.895 -8.098 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.299 -2.760 -3.100 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.659 -2.294 -2.858 1.00 0.00 C ATOM 1372 C PHE A 89 -7.229 -1.632 -4.107 1.00 0.00 C ATOM 1373 O PHE A 89 -6.503 -1.368 -5.065 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.684 -1.310 -1.687 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.177 -1.895 -0.400 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.974 -2.743 0.352 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.903 -1.597 0.058 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.510 -3.284 1.536 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.434 -2.134 1.242 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.239 -2.978 1.982 1.00 0.00 C ATOM 0 H PHE A 89 -4.670 -2.047 -3.469 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.277 -3.157 -2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.081 -0.438 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.705 -0.959 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.969 -2.984 0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.270 -0.938 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.140 -3.945 2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.440 -1.894 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.875 -3.398 2.908 1.00 0.00 H new ATOM 1390 N SER A 90 -8.531 -1.369 -4.095 1.00 0.00 N ATOM 1391 CA SER A 90 -9.188 -0.741 -5.235 1.00 0.00 C ATOM 1392 C SER A 90 -10.159 0.346 -4.784 1.00 0.00 C ATOM 1393 O SER A 90 -11.099 0.083 -4.036 1.00 0.00 O ATOM 1394 CB SER A 90 -9.930 -1.791 -6.064 1.00 0.00 C ATOM 1395 OG SER A 90 -10.860 -1.184 -6.945 1.00 0.00 O ATOM 0 H SER A 90 -9.150 -1.580 -3.312 1.00 0.00 H new ATOM 0 HA SER A 90 -8.418 -0.276 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.213 -2.379 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.451 -2.481 -5.400 1.00 0.00 H new ATOM 0 HG SER A 90 -11.319 -1.877 -7.464 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.926 1.568 -5.248 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.783 2.694 -4.896 1.00 0.00 C ATOM 1403 C PHE A 91 -11.751 3.009 -6.034 1.00 0.00 C ATOM 1404 O PHE A 91 -11.508 2.642 -7.184 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.935 3.922 -4.564 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.230 3.817 -3.242 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.380 2.755 -2.977 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.422 4.776 -2.261 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.734 2.653 -1.760 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.780 4.680 -1.043 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.934 3.616 -0.791 1.00 0.00 C ATOM 0 H PHE A 91 -9.152 1.804 -5.868 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.365 2.422 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.196 4.068 -5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.574 4.805 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.221 1.998 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.082 5.609 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.073 1.821 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.938 5.435 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.431 3.538 0.161 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.852 3.679 -5.708 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.856 4.027 -6.709 1.00 0.00 C ATOM 1423 C ASN A 92 -14.165 5.523 -6.693 1.00 0.00 C ATOM 1424 O ASN A 92 -15.321 5.927 -6.566 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.138 3.226 -6.470 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.798 2.793 -7.764 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.791 3.380 -8.195 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.249 1.760 -8.392 1.00 0.00 N ATOM 0 H ASN A 92 -13.072 3.991 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.451 3.777 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.907 2.345 -5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.838 3.830 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.650 1.424 -9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.426 1.303 -7.999 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.127 6.341 -6.831 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.290 7.791 -6.839 1.00 0.00 C ATOM 1437 C ASN A 93 -11.940 8.488 -6.974 1.00 0.00 C ATOM 1438 O ASN A 93 -10.896 7.897 -6.699 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.000 8.259 -5.565 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.357 8.873 -5.850 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.451 9.974 -6.393 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.417 8.162 -5.484 1.00 0.00 N ATOM 0 H ASN A 93 -12.163 6.025 -6.939 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.903 8.057 -7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.122 7.413 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.375 8.989 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.356 8.524 -5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.292 7.254 -5.037 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.968 9.747 -7.398 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.745 10.524 -7.569 1.00 0.00 C ATOM 1451 C ARG A 94 -10.324 11.178 -6.256 1.00 0.00 C ATOM 1452 O ARG A 94 -9.135 11.286 -5.959 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.943 11.595 -8.643 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.211 12.412 -8.463 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.177 13.684 -9.294 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.437 13.422 -10.708 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.509 14.372 -11.637 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.342 15.647 -11.307 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -12.748 14.046 -12.900 1.00 0.00 N ATOM 0 H ARG A 94 -12.824 10.251 -7.630 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.954 9.843 -7.884 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.084 12.267 -8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.966 11.116 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.075 11.812 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.334 12.667 -7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.919 14.386 -8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.203 14.161 -9.187 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.571 12.454 -11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.157 15.903 -10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.398 16.371 -12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.876 13.068 -13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.803 14.774 -13.613 1.00 0.00 H new ATOM 1473 N THR A 95 -11.308 11.613 -5.476 1.00 0.00 N ATOM 1474 CA THR A 95 -11.042 12.258 -4.198 1.00 0.00 C ATOM 1475 C THR A 95 -10.724 11.222 -3.120 1.00 0.00 C ATOM 1476 O THR A 95 -9.879 11.451 -2.255 1.00 0.00 O ATOM 1477 CB THR A 95 -12.237 13.124 -3.795 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.973 14.490 -4.058 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.621 13.009 -2.336 1.00 0.00 C ATOM 0 H THR A 95 -12.298 11.530 -5.708 1.00 0.00 H new ATOM 0 HA THR A 95 -10.167 12.900 -4.303 1.00 0.00 H new ATOM 0 HB THR A 95 -13.067 12.749 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.748 15.029 -3.796 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.476 13.654 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.884 11.976 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.780 13.314 -1.713 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.409 10.084 -3.178 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.200 9.016 -2.207 1.00 0.00 C ATOM 1489 C VAL A 96 -9.745 8.553 -2.200 1.00 0.00 C ATOM 1490 O VAL A 96 -9.144 8.378 -1.140 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.116 7.809 -2.494 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.790 7.198 -3.848 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.999 6.771 -1.388 1.00 0.00 C ATOM 0 H VAL A 96 -12.113 9.878 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.449 9.425 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.148 8.160 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.447 6.348 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.936 7.945 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.753 6.863 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.653 5.928 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.968 6.423 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.292 7.217 -0.438 1.00 0.00 H new ATOM 1503 N MET A 97 -9.187 8.357 -3.390 1.00 0.00 N ATOM 1504 CA MET A 97 -7.803 7.914 -3.523 1.00 0.00 C ATOM 1505 C MET A 97 -6.846 8.946 -2.946 1.00 0.00 C ATOM 1506 O MET A 97 -5.807 8.604 -2.381 1.00 0.00 O ATOM 1507 CB MET A 97 -7.467 7.658 -4.992 1.00 0.00 C ATOM 1508 CG MET A 97 -7.881 8.792 -5.916 1.00 0.00 C ATOM 1509 SD MET A 97 -7.134 8.664 -7.551 1.00 0.00 S ATOM 1510 CE MET A 97 -5.604 9.559 -7.296 1.00 0.00 C ATOM 0 H MET A 97 -9.672 8.498 -4.276 1.00 0.00 H new ATOM 0 HA MET A 97 -7.690 6.985 -2.964 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.393 7.496 -5.088 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.958 6.740 -5.314 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.966 8.796 -6.016 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.599 9.744 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.029 9.567 -8.222 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.827 10.583 -6.998 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.024 9.072 -6.513 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.208 10.209 -3.095 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.391 11.308 -2.593 1.00 0.00 C ATOM 1522 C ASP A 98 -6.422 11.358 -1.070 1.00 0.00 C ATOM 1523 O ASP A 98 -5.456 11.776 -0.432 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.879 12.638 -3.169 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.372 12.880 -4.578 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.141 12.828 -4.782 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.206 13.121 -5.476 1.00 0.00 O ATOM 0 H ASP A 98 -8.066 10.503 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.363 11.138 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.969 12.652 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.551 13.452 -2.523 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.539 10.929 -0.491 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.696 10.925 0.958 1.00 0.00 C ATOM 1534 C ASN A 99 -6.697 9.976 1.612 1.00 0.00 C ATOM 1535 O ASN A 99 -6.116 10.290 2.650 1.00 0.00 O ATOM 1536 CB ASN A 99 -9.123 10.521 1.336 1.00 0.00 C ATOM 1537 CG ASN A 99 -10.062 11.709 1.399 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.999 12.517 2.326 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.941 11.822 0.410 1.00 0.00 N ATOM 0 H ASN A 99 -8.349 10.580 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.502 11.934 1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.499 9.802 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -9.111 10.019 2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.599 12.601 0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.958 11.129 -0.339 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.503 8.813 0.999 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.575 7.818 1.524 1.00 0.00 C ATOM 1548 C ILE A 100 -4.154 8.074 1.032 1.00 0.00 C ATOM 1549 O ILE A 100 -3.206 8.066 1.814 1.00 0.00 O ATOM 1550 CB ILE A 100 -5.998 6.390 1.123 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.428 6.108 1.588 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.036 5.362 1.704 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.573 6.040 3.092 1.00 0.00 C ATOM 0 H ILE A 100 -6.976 8.536 0.139 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.599 7.905 2.610 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.965 6.313 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.087 6.886 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.762 5.165 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.352 4.361 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.031 5.551 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.036 5.437 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.613 5.837 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.941 5.243 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.270 6.991 3.530 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.013 8.292 -0.270 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.705 8.541 -0.868 1.00 0.00 C ATOM 1567 C LYS A 101 -1.991 9.706 -0.187 1.00 0.00 C ATOM 1568 O LYS A 101 -0.774 9.678 -0.005 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.855 8.827 -2.364 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.532 9.063 -3.074 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.172 10.539 -3.107 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.628 11.194 -4.401 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.155 12.602 -4.507 1.00 0.00 N ATOM 0 H LYS A 101 -4.788 8.302 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.100 7.645 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.367 7.988 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.490 9.703 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.743 8.506 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.591 8.679 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.633 11.046 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.093 10.654 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.254 10.621 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.716 11.172 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.487 13.013 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.532 13.156 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.116 12.622 -4.481 1.00 0.00 H new ATOM 1587 N MET A 102 -2.750 10.734 0.177 1.00 0.00 N ATOM 1588 CA MET A 102 -2.181 11.912 0.825 1.00 0.00 C ATOM 1589 C MET A 102 -2.018 11.708 2.328 1.00 0.00 C ATOM 1590 O MET A 102 -1.160 12.327 2.957 1.00 0.00 O ATOM 1591 CB MET A 102 -3.055 13.138 0.559 1.00 0.00 C ATOM 1592 CG MET A 102 -3.110 13.539 -0.906 1.00 0.00 C ATOM 1593 SD MET A 102 -3.728 15.217 -1.144 1.00 0.00 S ATOM 1594 CE MET A 102 -4.454 15.082 -2.776 1.00 0.00 C ATOM 0 H MET A 102 -3.759 10.776 0.035 1.00 0.00 H new ATOM 0 HA MET A 102 -1.191 12.073 0.399 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.067 12.936 0.910 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.677 13.977 1.143 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.113 13.458 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.749 12.841 -1.446 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.940 15.757 -3.460 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.355 14.058 -3.135 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.510 15.349 -2.728 1.00 0.00 H new ATOM 1604 N THR A 103 -2.850 10.849 2.900 1.00 0.00 N ATOM 1605 CA THR A 103 -2.800 10.577 4.335 1.00 0.00 C ATOM 1606 C THR A 103 -1.763 9.509 4.666 1.00 0.00 C ATOM 1607 O THR A 103 -0.949 9.686 5.573 1.00 0.00 O ATOM 1608 CB THR A 103 -4.178 10.151 4.845 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.113 11.205 4.699 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.181 9.739 6.303 1.00 0.00 C ATOM 0 H THR A 103 -3.567 10.328 2.396 1.00 0.00 H new ATOM 0 HA THR A 103 -2.504 11.498 4.837 1.00 0.00 H new ATOM 0 HB THR A 103 -4.453 9.287 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.805 10.942 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.190 9.449 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.506 8.895 6.444 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.850 10.576 6.918 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.792 8.400 3.934 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.847 7.316 4.167 1.00 0.00 C ATOM 1620 C LEU A 104 0.580 7.846 4.140 1.00 0.00 C ATOM 1621 O LEU A 104 1.371 7.575 5.042 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.027 6.211 3.122 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.701 4.935 3.638 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.970 5.270 4.409 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.009 3.992 2.485 1.00 0.00 C ATOM 0 H LEU A 104 -2.456 8.230 3.179 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.043 6.892 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.617 6.606 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.048 5.950 2.719 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.012 4.435 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.432 4.350 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.722 5.905 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.666 5.795 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.487 3.091 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.678 4.486 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.083 3.723 1.978 1.00 0.00 H new ATOM 1637 N GLN A 105 0.893 8.620 3.104 1.00 0.00 N ATOM 1638 CA GLN A 105 2.220 9.210 2.957 1.00 0.00 C ATOM 1639 C GLN A 105 2.636 9.929 4.235 1.00 0.00 C ATOM 1640 O GLN A 105 3.821 10.004 4.561 1.00 0.00 O ATOM 1641 CB GLN A 105 2.239 10.181 1.773 1.00 0.00 C ATOM 1642 CG GLN A 105 3.286 9.841 0.726 1.00 0.00 C ATOM 1643 CD GLN A 105 3.335 10.855 -0.399 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.237 11.692 -0.458 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.363 10.786 -1.301 1.00 0.00 N ATOM 0 H GLN A 105 0.244 8.853 2.353 1.00 0.00 H new ATOM 0 HA GLN A 105 2.933 8.408 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.256 10.187 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.422 11.190 2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.265 9.784 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.074 8.855 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.635 10.076 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.344 11.443 -2.081 1.00 0.00 H new ATOM 1654 N GLN A 106 1.651 10.445 4.961 1.00 0.00 N ATOM 1655 CA GLN A 106 1.915 11.145 6.214 1.00 0.00 C ATOM 1656 C GLN A 106 2.554 10.196 7.217 1.00 0.00 C ATOM 1657 O GLN A 106 3.388 10.593 8.030 1.00 0.00 O ATOM 1658 CB GLN A 106 0.624 11.730 6.789 1.00 0.00 C ATOM 1659 CG GLN A 106 -0.196 12.509 5.774 1.00 0.00 C ATOM 1660 CD GLN A 106 0.613 13.580 5.069 1.00 0.00 C ATOM 1661 OE1 GLN A 106 1.211 13.222 3.938 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 0.700 14.716 5.534 1.00 0.00 N flip ATOM 0 H GLN A 106 0.665 10.393 4.705 1.00 0.00 H new ATOM 0 HA GLN A 106 2.604 11.966 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 106 0.015 10.920 7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.872 12.386 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.602 11.819 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.045 12.972 6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.224 14.948 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.248 15.426 5.048 1.00 0.00 H new ATOM 1671 N ILE A 107 2.162 8.934 7.132 1.00 0.00 N ATOM 1672 CA ILE A 107 2.693 7.898 8.006 1.00 0.00 C ATOM 1673 C ILE A 107 4.002 7.362 7.437 1.00 0.00 C ATOM 1674 O ILE A 107 4.947 7.070 8.170 1.00 0.00 O ATOM 1675 CB ILE A 107 1.690 6.739 8.167 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.409 7.237 8.838 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.310 5.603 8.966 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.693 7.578 7.858 1.00 0.00 C ATOM 0 H ILE A 107 1.471 8.600 6.460 1.00 0.00 H new ATOM 0 HA ILE A 107 2.870 8.340 8.986 1.00 0.00 H new ATOM 0 HB ILE A 107 1.436 6.358 7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.048 6.473 9.527 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.640 8.120 9.434 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.587 4.794 9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.195 5.235 8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.593 5.965 9.954 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.571 7.924 8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.351 8.364 7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.952 6.692 7.279 1.00 0.00 H new ATOM 1690 N ILE A 108 4.043 7.254 6.115 1.00 0.00 N ATOM 1691 CA ILE A 108 5.225 6.774 5.406 1.00 0.00 C ATOM 1692 C ILE A 108 6.471 7.506 5.884 1.00 0.00 C ATOM 1693 O ILE A 108 7.389 6.906 6.443 1.00 0.00 O ATOM 1694 CB ILE A 108 5.080 6.999 3.888 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.780 6.389 3.378 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.263 6.425 3.133 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.702 4.891 3.544 1.00 0.00 C ATOM 0 H ILE A 108 3.262 7.495 5.505 1.00 0.00 H new ATOM 0 HA ILE A 108 5.320 5.708 5.612 1.00 0.00 H new ATOM 0 HB ILE A 108 5.055 8.074 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.943 6.847 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.664 6.634 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.132 6.599 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.179 6.909 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.329 5.353 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.748 4.531 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.517 4.421 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.785 4.637 4.601 1.00 0.00 H new ATOM 1709 N SER A 109 6.486 8.812 5.655 1.00 0.00 N ATOM 1710 CA SER A 109 7.610 9.651 6.056 1.00 0.00 C ATOM 1711 C SER A 109 7.812 9.617 7.568 1.00 0.00 C ATOM 1712 O SER A 109 8.907 9.883 8.064 1.00 0.00 O ATOM 1713 CB SER A 109 7.390 11.092 5.591 1.00 0.00 C ATOM 1714 OG SER A 109 7.224 11.155 4.185 1.00 0.00 O ATOM 0 H SER A 109 5.730 9.316 5.192 1.00 0.00 H new ATOM 0 HA SER A 109 8.508 9.255 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.510 11.506 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.240 11.707 5.888 1.00 0.00 H new ATOM 0 HG SER A 109 7.083 12.086 3.914 1.00 0.00 H new ATOM 1720 N ARG A 110 6.750 9.289 8.295 1.00 0.00 N ATOM 1721 CA ARG A 110 6.805 9.220 9.752 1.00 0.00 C ATOM 1722 C ARG A 110 7.933 8.303 10.221 1.00 0.00 C ATOM 1723 O ARG A 110 8.453 8.460 11.326 1.00 0.00 O ATOM 1724 CB ARG A 110 5.466 8.727 10.305 1.00 0.00 C ATOM 1725 CG ARG A 110 4.953 9.546 11.477 1.00 0.00 C ATOM 1726 CD ARG A 110 3.679 8.953 12.059 1.00 0.00 C ATOM 1727 NE ARG A 110 2.503 9.759 11.738 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.293 10.985 12.212 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.176 11.549 13.027 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.198 11.649 11.869 1.00 0.00 N ATOM 0 H ARG A 110 5.837 9.066 7.898 1.00 0.00 H new ATOM 0 HA ARG A 110 7.005 10.223 10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.724 8.746 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.572 7.688 10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 110 5.719 9.594 12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.763 10.569 11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.541 7.942 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.778 8.872 13.141 1.00 0.00 H new ATOM 0 HE ARG A 110 1.802 9.359 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.021 11.043 13.293 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.010 12.489 13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.517 11.220 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.037 12.588 12.232 1.00 0.00 H new ATOM 1744 N TYR A 111 8.306 7.345 9.377 1.00 0.00 N ATOM 1745 CA TYR A 111 9.371 6.406 9.711 1.00 0.00 C ATOM 1746 C TYR A 111 10.706 6.865 9.133 1.00 0.00 C ATOM 1747 O TYR A 111 11.752 6.713 9.764 1.00 0.00 O ATOM 1748 CB TYR A 111 9.030 5.010 9.188 1.00 0.00 C ATOM 1749 CG TYR A 111 7.612 4.580 9.487 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.158 4.479 10.796 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.728 4.274 8.460 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.862 4.086 11.073 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.431 3.881 8.729 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.003 3.789 10.037 1.00 0.00 C ATOM 1755 OH TYR A 111 3.712 3.397 10.309 1.00 0.00 O ATOM 0 H TYR A 111 7.887 7.199 8.459 1.00 0.00 H new ATOM 0 HA TYR A 111 9.460 6.370 10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.188 4.987 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.719 4.289 9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.828 4.711 11.610 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.060 4.344 7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.524 4.012 12.096 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.756 3.647 7.919 1.00 0.00 H new ATOM 0 HH TYR A 111 3.303 4.030 10.936 1.00 0.00 H new ATOM 1765 N LYS A 112 10.662 7.427 7.930 1.00 0.00 N ATOM 1766 CA LYS A 112 11.870 7.907 7.266 1.00 0.00 C ATOM 1767 C LYS A 112 12.497 9.058 8.044 1.00 0.00 C ATOM 1768 O LYS A 112 13.697 9.053 8.321 1.00 0.00 O ATOM 1769 CB LYS A 112 11.551 8.360 5.839 1.00 0.00 C ATOM 1770 CG LYS A 112 10.576 7.448 5.112 1.00 0.00 C ATOM 1771 CD LYS A 112 10.561 7.725 3.617 1.00 0.00 C ATOM 1772 CE LYS A 112 11.420 6.728 2.857 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.846 7.152 2.800 1.00 0.00 N ATOM 0 H LYS A 112 9.804 7.562 7.395 1.00 0.00 H new ATOM 0 HA LYS A 112 12.583 7.083 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.137 9.368 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.478 8.414 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.850 6.408 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.574 7.587 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.536 7.680 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.923 8.736 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.351 5.751 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.034 6.615 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.367 6.531 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.903 8.134 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.265 7.088 3.750 1.00 0.00 H new