USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 7 SER OG : rot 180:sc= -0.131 USER MOD Set 1.2: A 99 ASN : amide:sc= -1.36 K(o=-1.5,f=-3.9!) USER MOD Set 2.1: A 9 ASN :FLIP amide:sc= -1.62 F(o=-5.2!,f=-1.9) USER MOD Set 2.2: A 10 ASN : amide:sc= -0.32 K(o=-1.9,f=-3.8!) USER MOD Set 3.1: A 8 SER OG : rot 119:sc= -4.75! USER MOD Set 3.2: A 23 CYS SG : rot 50:sc= -2.9 USER MOD Set 4.1: A 5 HIS : no HE2:sc= -3.6! C(o=-11!,f=-12!) USER MOD Set 4.2: A 92 ASN : amide:sc= -7.11! C(o=-11!,f=-22!) USER MOD Set 4.3: A 94 SER OG : rot -19:sc= -0.739 USER MOD Single : A 3 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.83) USER MOD Single : A 17 HIS : no HE2:sc= -6.86! C(o=-6.9!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -4.42 K(o=-4.4,f=-7.1!) USER MOD Single : A 25 ASN : amide:sc= -1.1 K(o=-1.1,f=-1.9) USER MOD Single : A 33 SER OG : rot 156:sc= 0.946 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 85:sc= 0.486 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.28! C(o=-6.3!,f=-17!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 16:sc= 0.00407 USER MOD Single : A 61 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.21) USER MOD Single : A 80 ASN : amide:sc= -0.616 K(o=-0.62,f=-2.1!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.78 X(o=-0.78,f=-0.38) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.677 -8.621 -4.101 1.00 0.00 N ATOM 21 CA GLY A 2 -5.232 -7.297 -3.892 1.00 0.00 C ATOM 22 C GLY A 2 -5.801 -6.701 -5.158 1.00 0.00 C ATOM 23 O GLY A 2 -5.345 -5.662 -5.635 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.015 -7.350 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.456 -6.639 -3.501 1.00 0.00 H new ATOM 27 N ASN A 3 -6.818 -7.362 -5.682 1.00 0.00 N ATOM 28 CA ASN A 3 -7.502 -6.918 -6.884 1.00 0.00 C ATOM 29 C ASN A 3 -8.142 -5.550 -6.672 1.00 0.00 C ATOM 30 O ASN A 3 -8.552 -4.896 -7.629 1.00 0.00 O ATOM 31 CB ASN A 3 -8.564 -7.935 -7.294 1.00 0.00 C ATOM 32 CG ASN A 3 -8.044 -8.942 -8.302 1.00 0.00 C ATOM 33 OD1 ASN A 3 -7.318 -8.589 -9.231 1.00 0.00 O ATOM 34 ND2 ASN A 3 -8.414 -10.204 -8.121 1.00 0.00 N ATOM 0 H ASN A 3 -7.194 -8.223 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.765 -6.832 -7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.919 -8.462 -6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.421 -7.411 -7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.095 -10.927 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.017 -10.451 -7.337 1.00 0.00 H new ATOM 41 N PHE A 4 -8.260 -5.135 -5.409 1.00 0.00 N ATOM 42 CA PHE A 4 -8.890 -3.862 -5.079 1.00 0.00 C ATOM 43 C PHE A 4 -8.388 -2.742 -5.988 1.00 0.00 C ATOM 44 O PHE A 4 -9.130 -1.818 -6.316 1.00 0.00 O ATOM 45 CB PHE A 4 -8.621 -3.503 -3.611 1.00 0.00 C ATOM 46 CG PHE A 4 -7.399 -2.648 -3.401 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.135 -3.139 -3.686 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.519 -1.351 -2.926 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.013 -2.353 -3.500 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.400 -0.561 -2.739 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.146 -1.063 -3.026 1.00 0.00 C ATOM 0 H PHE A 4 -7.927 -5.663 -4.602 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.964 -3.970 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.490 -2.981 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.510 -4.423 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.025 -4.147 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.497 -0.953 -2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.033 -2.748 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.506 0.448 -2.369 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.271 -0.448 -2.880 1.00 0.00 H new ATOM 61 N HIS A 5 -7.130 -2.835 -6.397 1.00 0.00 N ATOM 62 CA HIS A 5 -6.542 -1.832 -7.272 1.00 0.00 C ATOM 63 C HIS A 5 -7.260 -1.799 -8.618 1.00 0.00 C ATOM 64 O HIS A 5 -7.416 -0.740 -9.225 1.00 0.00 O ATOM 65 CB HIS A 5 -5.049 -2.115 -7.470 1.00 0.00 C ATOM 66 CG HIS A 5 -4.747 -3.041 -8.610 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.312 -2.598 -9.842 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.820 -4.390 -8.702 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.132 -3.633 -10.642 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.433 -4.732 -9.975 1.00 0.00 N ATOM 0 H HIS A 5 -6.499 -3.593 -6.137 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.656 -0.855 -6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.530 -1.171 -7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.646 -2.543 -6.552 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.154 -1.623 -10.095 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.125 -5.070 -7.921 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.796 -3.588 -11.667 1.00 0.00 H new ATOM 79 N GLU A 6 -7.691 -2.969 -9.081 1.00 0.00 N ATOM 80 CA GLU A 6 -8.386 -3.074 -10.357 1.00 0.00 C ATOM 81 C GLU A 6 -9.852 -2.669 -10.221 1.00 0.00 C ATOM 82 O GLU A 6 -10.485 -2.263 -11.196 1.00 0.00 O ATOM 83 CB GLU A 6 -8.270 -4.501 -10.904 1.00 0.00 C ATOM 84 CG GLU A 6 -9.171 -5.512 -10.206 1.00 0.00 C ATOM 85 CD GLU A 6 -10.087 -6.240 -11.171 1.00 0.00 C ATOM 86 OE1 GLU A 6 -11.031 -5.606 -11.687 1.00 0.00 O ATOM 87 OE2 GLU A 6 -9.860 -7.445 -11.410 1.00 0.00 O ATOM 0 H GLU A 6 -7.571 -3.856 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.915 -2.387 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.509 -4.491 -11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.235 -4.830 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.554 -6.239 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.773 -5.000 -9.456 1.00 0.00 H new ATOM 94 N SER A 7 -10.387 -2.784 -9.009 1.00 0.00 N ATOM 95 CA SER A 7 -11.778 -2.431 -8.753 1.00 0.00 C ATOM 96 C SER A 7 -11.884 -1.148 -7.930 1.00 0.00 C ATOM 97 O SER A 7 -12.932 -0.858 -7.354 1.00 0.00 O ATOM 98 CB SER A 7 -12.489 -3.574 -8.026 1.00 0.00 C ATOM 99 OG SER A 7 -11.847 -3.877 -6.800 1.00 0.00 O ATOM 0 H SER A 7 -9.879 -3.118 -8.190 1.00 0.00 H new ATOM 0 HA SER A 7 -12.260 -2.259 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.527 -3.300 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.503 -4.460 -8.661 1.00 0.00 H new ATOM 0 HG SER A 7 -12.322 -4.609 -6.354 1.00 0.00 H new ATOM 105 N SER A 8 -10.798 -0.379 -7.878 1.00 0.00 N ATOM 106 CA SER A 8 -10.787 0.870 -7.124 1.00 0.00 C ATOM 107 C SER A 8 -10.256 2.017 -7.976 1.00 0.00 C ATOM 108 O SER A 8 -9.526 1.799 -8.943 1.00 0.00 O ATOM 109 CB SER A 8 -9.937 0.723 -5.861 1.00 0.00 C ATOM 110 OG SER A 8 -9.857 1.949 -5.154 1.00 0.00 O ATOM 0 H SER A 8 -9.919 -0.598 -8.347 1.00 0.00 H new ATOM 0 HA SER A 8 -11.814 1.099 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.367 -0.044 -5.217 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.935 0.389 -6.130 1.00 0.00 H new ATOM 0 HG SER A 8 -10.245 1.838 -4.261 1.00 0.00 H new ATOM 116 N ASN A 9 -10.624 3.241 -7.609 1.00 0.00 N ATOM 117 CA ASN A 9 -10.183 4.423 -8.336 1.00 0.00 C ATOM 118 C ASN A 9 -9.435 5.375 -7.410 1.00 0.00 C ATOM 119 O ASN A 9 -9.575 5.311 -6.188 1.00 0.00 O ATOM 120 CB ASN A 9 -11.381 5.135 -8.970 1.00 0.00 C ATOM 121 CG ASN A 9 -11.016 6.482 -9.563 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.927 7.495 -8.710 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.816 6.610 -10.771 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.228 3.438 -6.811 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.504 4.106 -9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.803 4.502 -9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.157 5.273 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.896 5.803 -11.389 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.571 7.523 -11.153 1.00 0.00 H new ATOM 130 N ASN A 10 -8.640 6.257 -8.002 1.00 0.00 N ATOM 131 CA ASN A 10 -7.866 7.227 -7.236 1.00 0.00 C ATOM 132 C ASN A 10 -6.961 6.525 -6.226 1.00 0.00 C ATOM 133 O ASN A 10 -7.079 6.735 -5.019 1.00 0.00 O ATOM 134 CB ASN A 10 -8.800 8.202 -6.516 1.00 0.00 C ATOM 135 CG ASN A 10 -9.131 9.416 -7.361 1.00 0.00 C ATOM 136 OD1 ASN A 10 -8.679 9.536 -8.500 1.00 0.00 O ATOM 137 ND2 ASN A 10 -9.924 10.325 -6.805 1.00 0.00 N ATOM 0 H ASN A 10 -8.514 6.321 -9.012 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.238 7.785 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.722 7.687 -6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.335 8.526 -5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.181 11.164 -7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.276 10.184 -5.858 1.00 0.00 H new ATOM 144 N ILE A 11 -6.057 5.692 -6.730 1.00 0.00 N ATOM 145 CA ILE A 11 -5.130 4.959 -5.873 1.00 0.00 C ATOM 146 C ILE A 11 -3.809 5.711 -5.740 1.00 0.00 C ATOM 147 O ILE A 11 -3.098 5.915 -6.724 1.00 0.00 O ATOM 148 CB ILE A 11 -4.847 3.538 -6.410 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.017 3.033 -7.262 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.579 2.579 -5.259 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.349 3.070 -6.544 1.00 0.00 C ATOM 0 H ILE A 11 -5.946 5.507 -7.727 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.607 4.872 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.960 3.584 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.084 3.637 -8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.812 2.010 -7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.382 1.583 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.713 2.923 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.450 2.544 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.130 2.699 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.300 2.443 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.577 4.095 -6.253 1.00 0.00 H new ATOM 163 N TRP A 12 -3.490 6.125 -4.519 1.00 0.00 N ATOM 164 CA TRP A 12 -2.257 6.859 -4.257 1.00 0.00 C ATOM 165 C TRP A 12 -1.909 6.825 -2.773 1.00 0.00 C ATOM 166 O TRP A 12 -2.561 6.136 -1.989 1.00 0.00 O ATOM 167 CB TRP A 12 -2.395 8.308 -4.727 1.00 0.00 C ATOM 168 CG TRP A 12 -3.492 9.054 -4.031 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.830 8.794 -4.099 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.345 10.182 -3.160 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.525 9.691 -3.325 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.636 10.553 -2.738 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.248 10.914 -2.695 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.858 11.623 -1.875 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.471 11.975 -1.839 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.767 12.321 -1.436 1.00 0.00 C ATOM 0 H TRP A 12 -4.068 5.965 -3.694 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.451 6.378 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.451 8.827 -4.563 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.582 8.318 -5.801 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.277 7.999 -4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.538 9.712 -3.206 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.245 10.655 -3.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.856 11.892 -1.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.631 12.548 -1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.908 13.156 -0.765 1.00 0.00 H new ATOM 187 N LEU A 13 -0.877 7.573 -2.392 1.00 0.00 N ATOM 188 CA LEU A 13 -0.447 7.624 -1.000 1.00 0.00 C ATOM 189 C LEU A 13 -0.251 9.064 -0.538 1.00 0.00 C ATOM 190 O LEU A 13 0.132 9.933 -1.320 1.00 0.00 O ATOM 191 CB LEU A 13 0.852 6.836 -0.816 1.00 0.00 C ATOM 192 CG LEU A 13 1.004 6.146 0.540 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.104 5.125 0.746 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.368 5.482 0.650 1.00 0.00 C ATOM 0 H LEU A 13 -0.325 8.150 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.229 7.172 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.915 6.081 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.694 7.514 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 13 0.925 6.902 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.020 4.644 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.071 5.626 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.056 4.372 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.459 4.996 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.475 4.738 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.149 6.236 0.547 1.00 0.00 H new ATOM 206 N GLU A 14 -0.516 9.305 0.742 1.00 0.00 N ATOM 207 CA GLU A 14 -0.369 10.636 1.318 1.00 0.00 C ATOM 208 C GLU A 14 0.679 10.629 2.427 1.00 0.00 C ATOM 209 O GLU A 14 0.534 9.929 3.428 1.00 0.00 O ATOM 210 CB GLU A 14 -1.713 11.129 1.863 1.00 0.00 C ATOM 211 CG GLU A 14 -1.611 12.401 2.691 1.00 0.00 C ATOM 212 CD GLU A 14 -2.944 12.830 3.270 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.658 11.967 3.822 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.275 14.031 3.173 1.00 0.00 O ATOM 0 H GLU A 14 -0.834 8.594 1.401 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.036 11.316 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.391 11.304 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.157 10.343 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.900 12.245 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.214 13.204 2.069 1.00 0.00 H new ATOM 221 N ASP A 15 1.734 11.413 2.237 1.00 0.00 N ATOM 222 CA ASP A 15 2.812 11.502 3.216 1.00 0.00 C ATOM 223 C ASP A 15 3.505 10.152 3.406 1.00 0.00 C ATOM 224 O ASP A 15 4.232 9.950 4.379 1.00 0.00 O ATOM 225 CB ASP A 15 2.271 12.011 4.555 1.00 0.00 C ATOM 226 CG ASP A 15 2.896 13.331 4.966 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.482 14.378 4.426 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.800 13.316 5.829 1.00 0.00 O ATOM 0 H ASP A 15 1.866 11.998 1.412 1.00 0.00 H new ATOM 0 HA ASP A 15 3.551 12.209 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.190 12.130 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.461 11.266 5.328 1.00 0.00 H new ATOM 233 N GLY A 16 3.285 9.235 2.467 1.00 0.00 N ATOM 234 CA GLY A 16 3.905 7.925 2.545 1.00 0.00 C ATOM 235 C GLY A 16 3.479 7.131 3.766 1.00 0.00 C ATOM 236 O GLY A 16 4.321 6.685 4.546 1.00 0.00 O ATOM 0 H GLY A 16 2.687 9.377 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.656 7.359 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.988 8.044 2.557 1.00 0.00 H new ATOM 240 N HIS A 17 2.173 6.940 3.928 1.00 0.00 N ATOM 241 CA HIS A 17 1.650 6.178 5.060 1.00 0.00 C ATOM 242 C HIS A 17 0.133 6.015 4.970 1.00 0.00 C ATOM 243 O HIS A 17 -0.414 4.995 5.390 1.00 0.00 O ATOM 244 CB HIS A 17 2.040 6.841 6.386 1.00 0.00 C ATOM 245 CG HIS A 17 1.307 8.114 6.678 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.210 9.153 5.777 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.641 8.517 7.786 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.516 10.140 6.318 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.159 9.778 7.536 1.00 0.00 N ATOM 0 H HIS A 17 1.460 7.300 3.294 1.00 0.00 H new ATOM 0 HA HIS A 17 2.096 5.184 5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.859 6.137 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.110 7.046 6.375 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.611 9.159 4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.513 7.952 8.697 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.281 11.082 5.844 1.00 0.00 H new ATOM 258 N ILE A 18 -0.543 7.019 4.419 1.00 0.00 N ATOM 259 CA ILE A 18 -1.994 6.972 4.276 1.00 0.00 C ATOM 260 C ILE A 18 -2.390 6.543 2.865 1.00 0.00 C ATOM 261 O ILE A 18 -1.880 7.072 1.878 1.00 0.00 O ATOM 262 CB ILE A 18 -2.636 8.339 4.599 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.393 8.701 6.067 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.129 8.325 4.290 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.220 7.889 7.042 1.00 0.00 C ATOM 0 H ILE A 18 -0.111 7.872 4.065 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.364 6.236 4.990 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.170 9.097 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.337 8.560 6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.613 9.759 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.558 9.299 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.280 8.108 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.618 7.558 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.993 8.202 8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.279 8.048 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.984 6.831 6.927 1.00 0.00 H new ATOM 277 N LEU A 19 -3.302 5.579 2.781 1.00 0.00 N ATOM 278 CA LEU A 19 -3.768 5.074 1.494 1.00 0.00 C ATOM 279 C LEU A 19 -5.221 5.467 1.247 1.00 0.00 C ATOM 280 O LEU A 19 -6.057 5.384 2.146 1.00 0.00 O ATOM 281 CB LEU A 19 -3.626 3.550 1.443 1.00 0.00 C ATOM 282 CG LEU A 19 -3.911 2.907 0.082 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.407 2.878 -0.194 1.00 0.00 C ATOM 284 CD2 LEU A 19 -3.177 3.647 -1.027 1.00 0.00 C ATOM 0 H LEU A 19 -3.733 5.132 3.590 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.153 5.519 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.612 3.287 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.301 3.115 2.180 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.546 1.880 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.589 2.418 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.909 2.299 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.796 3.896 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.393 3.174 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.508 4.685 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.104 3.612 -0.839 1.00 0.00 H new ATOM 296 N HIS A 20 -5.515 5.891 0.022 1.00 0.00 N ATOM 297 CA HIS A 20 -6.872 6.290 -0.343 1.00 0.00 C ATOM 298 C HIS A 20 -7.287 5.641 -1.659 1.00 0.00 C ATOM 299 O HIS A 20 -6.518 5.618 -2.620 1.00 0.00 O ATOM 300 CB HIS A 20 -6.984 7.817 -0.456 1.00 0.00 C ATOM 301 CG HIS A 20 -5.824 8.561 0.130 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.577 8.592 -0.458 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.725 9.306 1.257 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.762 9.322 0.281 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.433 9.767 1.327 1.00 0.00 N ATOM 0 H HIS A 20 -4.834 5.967 -0.734 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.543 5.950 0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.081 8.086 -1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.898 8.141 0.041 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.324 8.124 -1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.514 9.501 1.968 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.723 9.521 0.066 1.00 0.00 H new ATOM 314 N ALA A 21 -8.506 5.114 -1.696 1.00 0.00 N ATOM 315 CA ALA A 21 -9.019 4.465 -2.896 1.00 0.00 C ATOM 316 C ALA A 21 -10.528 4.263 -2.810 1.00 0.00 C ATOM 317 O ALA A 21 -11.069 3.997 -1.736 1.00 0.00 O ATOM 318 CB ALA A 21 -8.317 3.133 -3.116 1.00 0.00 C ATOM 0 H ALA A 21 -9.156 5.124 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.815 5.116 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.710 2.659 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.246 3.301 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.491 2.484 -2.258 1.00 0.00 H new ATOM 324 N GLU A 22 -11.202 4.390 -3.948 1.00 0.00 N ATOM 325 CA GLU A 22 -12.650 4.222 -4.006 1.00 0.00 C ATOM 326 C GLU A 22 -13.013 2.827 -4.502 1.00 0.00 C ATOM 327 O GLU A 22 -13.023 2.569 -5.705 1.00 0.00 O ATOM 328 CB GLU A 22 -13.277 5.277 -4.922 1.00 0.00 C ATOM 329 CG GLU A 22 -12.549 6.612 -4.911 1.00 0.00 C ATOM 330 CD GLU A 22 -12.684 7.339 -3.588 1.00 0.00 C ATOM 331 OE1 GLU A 22 -12.034 6.916 -2.609 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.441 8.331 -3.530 1.00 0.00 O ATOM 0 H GLU A 22 -10.768 4.609 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.044 4.349 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.297 4.893 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.313 5.436 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.493 6.447 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.941 7.242 -5.709 1.00 0.00 H new ATOM 339 N CYS A 23 -13.308 1.930 -3.568 1.00 0.00 N ATOM 340 CA CYS A 23 -13.669 0.560 -3.913 1.00 0.00 C ATOM 341 C CYS A 23 -15.180 0.362 -3.855 1.00 0.00 C ATOM 342 O CYS A 23 -15.830 0.743 -2.882 1.00 0.00 O ATOM 343 CB CYS A 23 -12.977 -0.425 -2.968 1.00 0.00 C ATOM 344 SG CYS A 23 -11.229 -0.066 -2.677 1.00 0.00 S ATOM 0 H CYS A 23 -13.304 2.126 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.336 0.370 -4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.501 -0.424 -2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.067 -1.430 -3.379 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.091 1.185 -2.353 1.00 0.00 H new ATOM 350 N GLY A 24 -15.732 -0.239 -4.904 1.00 0.00 N ATOM 351 CA GLY A 24 -17.163 -0.480 -4.952 1.00 0.00 C ATOM 352 C GLY A 24 -17.574 -1.682 -4.125 1.00 0.00 C ATOM 353 O GLY A 24 -16.735 -2.324 -3.493 1.00 0.00 O ATOM 0 H GLY A 24 -15.215 -0.563 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.690 0.403 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.469 -0.633 -5.987 1.00 0.00 H new ATOM 357 N ASN A 25 -18.868 -1.989 -4.127 1.00 0.00 N ATOM 358 CA ASN A 25 -19.385 -3.124 -3.368 1.00 0.00 C ATOM 359 C ASN A 25 -19.934 -4.196 -4.306 1.00 0.00 C ATOM 360 O ASN A 25 -19.782 -5.392 -4.056 1.00 0.00 O ATOM 361 CB ASN A 25 -20.478 -2.677 -2.385 1.00 0.00 C ATOM 362 CG ASN A 25 -20.909 -1.237 -2.591 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.634 -0.369 -1.762 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.588 -0.977 -3.701 1.00 0.00 N ATOM 0 H ASN A 25 -19.577 -1.469 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.558 -3.546 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.345 -3.329 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.113 -2.799 -1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.904 -0.027 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.794 -1.727 -4.361 1.00 0.00 H new ATOM 433 N VAL A 31 -17.136 3.336 -2.985 1.00 0.00 N ATOM 434 CA VAL A 31 -17.101 3.670 -1.566 1.00 0.00 C ATOM 435 C VAL A 31 -15.723 4.170 -1.146 1.00 0.00 C ATOM 436 O VAL A 31 -14.724 3.467 -1.298 1.00 0.00 O ATOM 437 CB VAL A 31 -17.476 2.456 -0.695 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.650 2.873 0.757 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.739 1.789 -1.221 1.00 0.00 C ATOM 0 HA VAL A 31 -17.833 4.463 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.663 1.732 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.915 2.002 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.718 3.299 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.443 3.618 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.988 0.934 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.562 2.503 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.573 1.451 -2.244 1.00 0.00 H new ATOM 449 N GLU A 32 -15.677 5.387 -0.616 1.00 0.00 N ATOM 450 CA GLU A 32 -14.426 5.982 -0.171 1.00 0.00 C ATOM 451 C GLU A 32 -13.869 5.241 1.040 1.00 0.00 C ATOM 452 O GLU A 32 -14.546 5.099 2.059 1.00 0.00 O ATOM 453 CB GLU A 32 -14.637 7.456 0.174 1.00 0.00 C ATOM 454 CG GLU A 32 -13.402 8.309 -0.043 1.00 0.00 C ATOM 455 CD GLU A 32 -13.589 9.738 0.428 1.00 0.00 C ATOM 456 OE1 GLU A 32 -14.407 10.461 -0.178 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.917 10.134 1.404 1.00 0.00 O ATOM 0 H GLU A 32 -16.496 5.981 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.705 5.903 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.453 7.850 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.947 7.537 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.560 7.863 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.148 8.310 -1.103 1.00 0.00 H new ATOM 464 N SER A 33 -12.631 4.773 0.923 1.00 0.00 N ATOM 465 CA SER A 33 -11.981 4.050 2.010 1.00 0.00 C ATOM 466 C SER A 33 -10.488 4.358 2.046 1.00 0.00 C ATOM 467 O SER A 33 -9.901 4.746 1.036 1.00 0.00 O ATOM 468 CB SER A 33 -12.204 2.545 1.856 1.00 0.00 C ATOM 469 OG SER A 33 -13.286 2.275 0.981 1.00 0.00 O ATOM 0 H SER A 33 -12.058 4.881 0.086 1.00 0.00 H new ATOM 0 HA SER A 33 -12.424 4.378 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.297 2.078 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.403 2.102 2.832 1.00 0.00 H new ATOM 0 HG SER A 33 -13.180 1.380 0.596 1.00 0.00 H new ATOM 475 N THR A 34 -9.880 4.188 3.215 1.00 0.00 N ATOM 476 CA THR A 34 -8.456 4.453 3.378 1.00 0.00 C ATOM 477 C THR A 34 -7.822 3.464 4.350 1.00 0.00 C ATOM 478 O THR A 34 -8.464 3.009 5.296 1.00 0.00 O ATOM 479 CB THR A 34 -8.241 5.885 3.873 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.804 6.059 5.161 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.849 6.930 2.962 1.00 0.00 C ATOM 0 H THR A 34 -10.350 3.869 4.062 1.00 0.00 H new ATOM 0 HA THR A 34 -7.975 4.333 2.407 1.00 0.00 H new ATOM 0 HB THR A 34 -7.160 6.026 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.655 6.980 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.661 7.923 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.401 6.854 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.924 6.766 2.887 1.00 0.00 H new ATOM 489 N LEU A 35 -6.557 3.135 4.108 1.00 0.00 N ATOM 490 CA LEU A 35 -5.832 2.199 4.959 1.00 0.00 C ATOM 491 C LEU A 35 -4.495 2.785 5.399 1.00 0.00 C ATOM 492 O LEU A 35 -3.767 3.366 4.594 1.00 0.00 O ATOM 493 CB LEU A 35 -5.601 0.879 4.220 1.00 0.00 C ATOM 494 CG LEU A 35 -5.126 -0.282 5.100 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.238 -1.302 5.289 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.894 -0.941 4.496 1.00 0.00 C ATOM 0 H LEU A 35 -6.012 3.504 3.328 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.437 2.012 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.530 0.587 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.864 1.044 3.434 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.858 0.118 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.880 -2.118 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.093 -0.824 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.539 -1.696 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.571 -1.763 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.136 -1.325 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.092 -0.208 4.415 1.00 0.00 H new ATOM 508 N ASP A 36 -4.177 2.625 6.679 1.00 0.00 N ATOM 509 CA ASP A 36 -2.925 3.134 7.223 1.00 0.00 C ATOM 510 C ASP A 36 -1.853 2.054 7.201 1.00 0.00 C ATOM 511 O ASP A 36 -2.036 0.971 7.746 1.00 0.00 O ATOM 512 CB ASP A 36 -3.131 3.639 8.652 1.00 0.00 C ATOM 513 CG ASP A 36 -1.912 4.364 9.189 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.348 5.201 8.453 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.523 4.096 10.345 1.00 0.00 O ATOM 0 H ASP A 36 -4.769 2.147 7.358 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.595 3.965 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.990 4.310 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.365 2.796 9.302 1.00 0.00 H new ATOM 520 N LEU A 37 -0.738 2.357 6.558 1.00 0.00 N ATOM 521 CA LEU A 37 0.372 1.418 6.466 1.00 0.00 C ATOM 522 C LEU A 37 1.307 1.574 7.650 1.00 0.00 C ATOM 523 O LEU A 37 1.968 0.624 8.068 1.00 0.00 O ATOM 524 CB LEU A 37 1.137 1.632 5.175 1.00 0.00 C ATOM 525 CG LEU A 37 0.277 2.067 4.000 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.002 3.123 3.203 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.090 0.868 3.145 1.00 0.00 C ATOM 0 H LEU A 37 -0.575 3.248 6.090 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.036 0.407 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.907 2.384 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.648 0.706 4.912 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.652 2.502 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.383 3.433 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.205 3.984 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.943 2.716 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.706 1.194 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.818 0.399 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.646 0.149 3.746 1.00 0.00 H new ATOM 539 N ASP A 38 1.352 2.788 8.194 1.00 0.00 N ATOM 540 CA ASP A 38 2.201 3.079 9.339 1.00 0.00 C ATOM 541 C ASP A 38 1.868 2.154 10.503 1.00 0.00 C ATOM 542 O ASP A 38 2.617 2.072 11.477 1.00 0.00 O ATOM 543 CB ASP A 38 2.036 4.538 9.766 1.00 0.00 C ATOM 544 CG ASP A 38 3.028 4.942 10.839 1.00 0.00 C ATOM 545 OD1 ASP A 38 2.732 4.728 12.033 1.00 0.00 O ATOM 546 OD2 ASP A 38 4.102 5.473 10.484 1.00 0.00 O ATOM 0 H ASP A 38 0.809 3.584 7.858 1.00 0.00 H new ATOM 0 HA ASP A 38 3.238 2.912 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.161 5.184 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.022 4.693 10.135 1.00 0.00 H new ATOM 551 N TYR A 39 0.740 1.455 10.398 1.00 0.00 N ATOM 552 CA TYR A 39 0.323 0.535 11.451 1.00 0.00 C ATOM 553 C TYR A 39 -0.001 -0.854 10.892 1.00 0.00 C ATOM 554 O TYR A 39 -0.399 -1.750 11.637 1.00 0.00 O ATOM 555 CB TYR A 39 -0.875 1.116 12.216 1.00 0.00 C ATOM 556 CG TYR A 39 -2.228 0.690 11.688 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.491 0.693 10.327 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.239 0.290 12.551 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.725 0.309 9.837 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.476 -0.097 12.071 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.714 -0.085 10.713 1.00 0.00 C ATOM 562 OH TYR A 39 -5.944 -0.469 10.230 1.00 0.00 O ATOM 0 H TYR A 39 0.104 1.508 9.602 1.00 0.00 H new ATOM 0 HA TYR A 39 1.155 0.415 12.145 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.799 0.820 13.262 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.815 2.204 12.187 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.719 1.001 9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.056 0.281 13.615 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.913 0.318 8.774 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.252 -0.407 12.756 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.916 -1.416 9.980 1.00 0.00 H new ATOM 572 N TYR A 40 0.176 -1.031 9.583 1.00 0.00 N ATOM 573 CA TYR A 40 -0.096 -2.315 8.944 1.00 0.00 C ATOM 574 C TYR A 40 1.161 -2.883 8.283 1.00 0.00 C ATOM 575 O TYR A 40 1.258 -4.089 8.055 1.00 0.00 O ATOM 576 CB TYR A 40 -1.213 -2.167 7.907 1.00 0.00 C ATOM 577 CG TYR A 40 -2.550 -2.703 8.374 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.948 -2.576 9.699 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.413 -3.335 7.487 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.168 -3.065 10.127 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.635 -3.825 7.908 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.007 -3.688 9.228 1.00 0.00 C ATOM 583 OH TYR A 40 -6.223 -4.175 9.651 1.00 0.00 O ATOM 0 H TYR A 40 0.505 -0.304 8.948 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.417 -3.012 9.718 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.323 -1.113 7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.921 -2.687 6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.294 -2.087 10.406 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.124 -3.445 6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.462 -2.959 11.161 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.295 -4.313 7.206 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.693 -4.584 8.894 1.00 0.00 H new ATOM 593 N ILE A 41 2.122 -2.013 7.978 1.00 0.00 N ATOM 594 CA ILE A 41 3.366 -2.438 7.346 1.00 0.00 C ATOM 595 C ILE A 41 4.577 -1.980 8.155 1.00 0.00 C ATOM 596 O ILE A 41 4.590 -0.878 8.703 1.00 0.00 O ATOM 597 CB ILE A 41 3.480 -1.895 5.906 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.400 -2.517 5.021 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.863 -2.170 5.330 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.913 -1.593 3.929 1.00 0.00 C ATOM 0 H ILE A 41 2.062 -1.011 8.159 1.00 0.00 H new ATOM 0 HA ILE A 41 3.350 -3.527 7.311 1.00 0.00 H new ATOM 0 HB ILE A 41 3.333 -0.815 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.792 -3.428 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.554 -2.809 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.919 -1.778 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.618 -1.684 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.044 -3.245 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.148 -2.098 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.491 -0.693 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.748 -1.321 3.283 1.00 0.00 H new ATOM 612 N GLY A 42 5.594 -2.833 8.221 1.00 0.00 N ATOM 613 CA GLY A 42 6.796 -2.499 8.960 1.00 0.00 C ATOM 614 C GLY A 42 8.055 -2.691 8.139 1.00 0.00 C ATOM 615 O GLY A 42 7.994 -3.120 6.987 1.00 0.00 O ATOM 0 H GLY A 42 5.606 -3.750 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.738 -1.463 9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.852 -3.118 9.855 1.00 0.00 H new ATOM 619 N ASN A 43 9.199 -2.371 8.733 1.00 0.00 N ATOM 620 CA ASN A 43 10.480 -2.510 8.050 1.00 0.00 C ATOM 621 C ASN A 43 11.229 -3.744 8.543 1.00 0.00 C ATOM 622 O ASN A 43 11.687 -3.790 9.685 1.00 0.00 O ATOM 623 CB ASN A 43 11.335 -1.260 8.266 1.00 0.00 C ATOM 624 CG ASN A 43 12.661 -1.331 7.532 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.050 -2.384 7.029 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.362 -0.205 7.469 1.00 0.00 N ATOM 0 H ASN A 43 9.266 -2.014 9.686 1.00 0.00 H new ATOM 0 HA ASN A 43 10.284 -2.628 6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.783 -0.383 7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.520 -1.130 9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.262 -0.191 6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.001 0.646 7.901 1.00 0.00 H new ATOM 633 N ASP A 44 11.351 -4.742 7.674 1.00 0.00 N ATOM 634 CA ASP A 44 12.045 -5.977 8.020 1.00 0.00 C ATOM 635 C ASP A 44 13.343 -6.112 7.230 1.00 0.00 C ATOM 636 O ASP A 44 13.336 -6.533 6.074 1.00 0.00 O ATOM 637 CB ASP A 44 11.145 -7.184 7.752 1.00 0.00 C ATOM 638 CG ASP A 44 11.646 -8.442 8.434 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.827 -8.797 8.233 1.00 0.00 O ATOM 640 OD2 ASP A 44 10.857 -9.073 9.169 1.00 0.00 O ATOM 0 H ASP A 44 10.978 -4.720 6.725 1.00 0.00 H new ATOM 0 HA ASP A 44 12.289 -5.942 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.135 -6.964 8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.084 -7.356 6.677 1.00 0.00 H new ATOM 645 N ASP A 45 14.457 -5.754 7.862 1.00 0.00 N ATOM 646 CA ASP A 45 15.762 -5.839 7.215 1.00 0.00 C ATOM 647 C ASP A 45 15.814 -4.945 5.980 1.00 0.00 C ATOM 648 O ASP A 45 16.319 -5.346 4.931 1.00 0.00 O ATOM 649 CB ASP A 45 16.066 -7.286 6.826 1.00 0.00 C ATOM 650 CG ASP A 45 17.463 -7.453 6.261 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.432 -7.082 6.956 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.588 -7.955 5.125 1.00 0.00 O ATOM 0 H ASP A 45 14.482 -5.403 8.819 1.00 0.00 H new ATOM 0 HA ASP A 45 16.516 -5.495 7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.952 -7.926 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.337 -7.622 6.089 1.00 0.00 H new ATOM 657 N GLY A 46 15.289 -3.732 6.112 1.00 0.00 N ATOM 658 CA GLY A 46 15.284 -2.802 4.999 1.00 0.00 C ATOM 659 C GLY A 46 14.313 -3.205 3.906 1.00 0.00 C ATOM 660 O GLY A 46 14.424 -2.746 2.769 1.00 0.00 O ATOM 0 H GLY A 46 14.867 -3.376 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.024 -1.808 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.289 -2.736 4.581 1.00 0.00 H new ATOM 664 N SER A 47 13.357 -4.065 4.248 1.00 0.00 N ATOM 665 CA SER A 47 12.365 -4.527 3.284 1.00 0.00 C ATOM 666 C SER A 47 10.952 -4.356 3.832 1.00 0.00 C ATOM 667 O SER A 47 10.743 -4.338 5.045 1.00 0.00 O ATOM 668 CB SER A 47 12.612 -5.995 2.931 1.00 0.00 C ATOM 669 OG SER A 47 12.357 -6.240 1.559 1.00 0.00 O ATOM 0 H SER A 47 13.249 -4.455 5.184 1.00 0.00 H new ATOM 0 HA SER A 47 12.462 -3.921 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.643 -6.260 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.972 -6.632 3.542 1.00 0.00 H new ATOM 0 HG SER A 47 12.524 -7.185 1.359 1.00 0.00 H new ATOM 675 N PHE A 48 9.985 -4.230 2.929 1.00 0.00 N ATOM 676 CA PHE A 48 8.590 -4.061 3.320 1.00 0.00 C ATOM 677 C PHE A 48 8.020 -5.363 3.874 1.00 0.00 C ATOM 678 O PHE A 48 8.311 -6.445 3.364 1.00 0.00 O ATOM 679 CB PHE A 48 7.758 -3.595 2.124 1.00 0.00 C ATOM 680 CG PHE A 48 7.934 -2.139 1.797 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.805 -1.174 2.781 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.228 -1.737 0.503 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.966 0.166 2.482 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.389 -0.399 0.198 1.00 0.00 C ATOM 685 CZ PHE A 48 8.258 0.554 1.189 1.00 0.00 C ATOM 0 H PHE A 48 10.142 -4.242 1.921 1.00 0.00 H new ATOM 0 HA PHE A 48 8.546 -3.304 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.028 -4.190 1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.705 -3.788 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.576 -1.471 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.332 -2.478 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.864 0.909 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.617 -0.099 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.384 1.600 0.953 1.00 0.00 H new ATOM 695 N SER A 49 7.208 -5.252 4.921 1.00 0.00 N ATOM 696 CA SER A 49 6.600 -6.423 5.543 1.00 0.00 C ATOM 697 C SER A 49 5.099 -6.226 5.732 1.00 0.00 C ATOM 698 O SER A 49 4.663 -5.249 6.341 1.00 0.00 O ATOM 699 CB SER A 49 7.261 -6.711 6.892 1.00 0.00 C ATOM 700 OG SER A 49 7.392 -8.105 7.110 1.00 0.00 O ATOM 0 H SER A 49 6.956 -4.364 5.356 1.00 0.00 H new ATOM 0 HA SER A 49 6.754 -7.274 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.244 -6.241 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.668 -6.269 7.693 1.00 0.00 H new ATOM 0 HG SER A 49 7.819 -8.262 7.978 1.00 0.00 H new ATOM 706 N TRP A 50 4.312 -7.162 5.208 1.00 0.00 N ATOM 707 CA TRP A 50 2.861 -7.093 5.322 1.00 0.00 C ATOM 708 C TRP A 50 2.408 -7.490 6.724 1.00 0.00 C ATOM 709 O TRP A 50 2.629 -8.619 7.161 1.00 0.00 O ATOM 710 CB TRP A 50 2.205 -8.006 4.285 1.00 0.00 C ATOM 711 CG TRP A 50 2.072 -7.375 2.932 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.673 -7.784 1.776 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.289 -6.225 2.593 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.311 -6.958 0.739 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.463 -5.994 1.215 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.457 -5.367 3.319 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.836 -4.943 0.551 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.164 -4.324 2.658 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.028 -4.120 1.285 1.00 0.00 C ATOM 0 H TRP A 50 4.656 -7.977 4.700 1.00 0.00 H new ATOM 0 HA TRP A 50 2.554 -6.064 5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.792 -8.920 4.195 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.216 -8.295 4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.336 -8.632 1.689 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.623 -7.048 -0.228 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.302 -5.517 4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.983 -4.783 -0.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.808 -3.655 3.209 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.472 -3.296 0.797 1.00 0.00 H new ATOM 730 N GLY A 51 1.776 -6.554 7.423 1.00 0.00 N ATOM 731 CA GLY A 51 1.304 -6.826 8.768 1.00 0.00 C ATOM 732 C GLY A 51 2.171 -6.183 9.835 1.00 0.00 C ATOM 733 O GLY A 51 2.014 -6.468 11.022 1.00 0.00 O ATOM 0 H GLY A 51 1.582 -5.612 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.281 -6.463 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.278 -7.904 8.928 1.00 0.00 H new ATOM 737 N GLY A 52 3.084 -5.312 9.415 1.00 0.00 N ATOM 738 CA GLY A 52 3.958 -4.643 10.360 1.00 0.00 C ATOM 739 C GLY A 52 3.449 -3.267 10.740 1.00 0.00 C ATOM 740 O GLY A 52 2.241 -3.038 10.791 1.00 0.00 O ATOM 0 H GLY A 52 3.233 -5.058 8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.053 -5.253 11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.955 -4.553 9.928 1.00 0.00 H new ATOM 744 N GLU A 53 4.371 -2.347 11.007 1.00 0.00 N ATOM 745 CA GLU A 53 4.004 -0.986 11.382 1.00 0.00 C ATOM 746 C GLU A 53 5.245 -0.134 11.628 1.00 0.00 C ATOM 747 O GLU A 53 6.329 -0.658 11.885 1.00 0.00 O ATOM 748 CB GLU A 53 3.123 -1.000 12.632 1.00 0.00 C ATOM 749 CG GLU A 53 3.658 -1.885 13.745 1.00 0.00 C ATOM 750 CD GLU A 53 3.065 -1.542 15.098 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.825 -1.601 15.236 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.841 -1.214 16.021 1.00 0.00 O ATOM 0 H GLU A 53 5.376 -2.519 10.971 1.00 0.00 H new ATOM 0 HA GLU A 53 3.444 -0.547 10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.022 0.019 13.006 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.124 -1.339 12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.442 -2.927 13.511 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.743 -1.787 13.792 1.00 0.00 H new ATOM 759 N ASN A 54 5.077 1.182 11.545 1.00 0.00 N ATOM 760 CA ASN A 54 6.182 2.110 11.757 1.00 0.00 C ATOM 761 C ASN A 54 7.258 1.932 10.690 1.00 0.00 C ATOM 762 O ASN A 54 8.433 2.212 10.928 1.00 0.00 O ATOM 763 CB ASN A 54 6.786 1.911 13.147 1.00 0.00 C ATOM 764 CG ASN A 54 5.755 2.046 14.250 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.099 0.941 14.586 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.550 3.131 14.795 1.00 0.00 N flip ATOM 0 H ASN A 54 4.186 1.630 11.332 1.00 0.00 H new ATOM 0 HA ASN A 54 5.789 3.124 11.683 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.246 0.924 13.202 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.579 2.642 13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.077 3.955 14.505 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.853 3.206 15.536 1.00 0.00 H new ATOM 773 N PHE A 55 6.850 1.468 9.512 1.00 0.00 N ATOM 774 CA PHE A 55 7.782 1.257 8.412 1.00 0.00 C ATOM 775 C PHE A 55 8.461 2.567 8.019 1.00 0.00 C ATOM 776 O PHE A 55 9.662 2.602 7.752 1.00 0.00 O ATOM 777 CB PHE A 55 7.052 0.654 7.207 1.00 0.00 C ATOM 778 CG PHE A 55 6.228 1.647 6.434 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.968 2.017 6.876 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.717 2.209 5.267 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.211 2.930 6.167 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.965 3.122 4.553 1.00 0.00 C ATOM 783 CZ PHE A 55 4.710 3.483 5.003 1.00 0.00 C ATOM 0 H PHE A 55 5.881 1.232 9.296 1.00 0.00 H new ATOM 0 HA PHE A 55 8.551 0.559 8.743 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.786 0.206 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.403 -0.151 7.553 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.573 1.587 7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.698 1.930 4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.231 3.211 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.358 3.553 3.644 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.120 4.196 4.446 1.00 0.00 H new ATOM 793 N SER A 56 7.680 3.643 7.988 1.00 0.00 N ATOM 794 CA SER A 56 8.199 4.957 7.630 1.00 0.00 C ATOM 795 C SER A 56 9.159 5.475 8.698 1.00 0.00 C ATOM 796 O SER A 56 10.031 6.297 8.415 1.00 0.00 O ATOM 797 CB SER A 56 7.050 5.948 7.439 1.00 0.00 C ATOM 798 OG SER A 56 7.523 7.284 7.435 1.00 0.00 O ATOM 0 H SER A 56 6.684 3.629 8.207 1.00 0.00 H new ATOM 0 HA SER A 56 8.746 4.859 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.537 5.738 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.319 5.820 8.237 1.00 0.00 H new ATOM 0 HG SER A 56 6.769 7.898 7.310 1.00 0.00 H new ATOM 804 N GLY A 57 8.993 4.990 9.926 1.00 0.00 N ATOM 805 CA GLY A 57 9.853 5.417 11.017 1.00 0.00 C ATOM 806 C GLY A 57 11.327 5.306 10.677 1.00 0.00 C ATOM 807 O GLY A 57 12.155 6.030 11.231 1.00 0.00 O ATOM 0 H GLY A 57 8.279 4.309 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.620 6.450 11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.641 4.813 11.899 1.00 0.00 H new ATOM 811 N SER A 58 11.656 4.398 9.764 1.00 0.00 N ATOM 812 CA SER A 58 13.040 4.196 9.351 1.00 0.00 C ATOM 813 C SER A 58 13.175 4.276 7.832 1.00 0.00 C ATOM 814 O SER A 58 14.097 3.704 7.251 1.00 0.00 O ATOM 815 CB SER A 58 13.552 2.843 9.851 1.00 0.00 C ATOM 816 OG SER A 58 12.766 2.366 10.929 1.00 0.00 O ATOM 0 H SER A 58 10.983 3.791 9.296 1.00 0.00 H new ATOM 0 HA SER A 58 13.643 4.990 9.792 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.533 2.120 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.590 2.939 10.169 1.00 0.00 H new ATOM 0 HG SER A 58 13.113 1.500 11.229 1.00 0.00 H new ATOM 822 N ALA A 59 12.251 4.990 7.195 1.00 0.00 N ATOM 823 CA ALA A 59 12.270 5.145 5.746 1.00 0.00 C ATOM 824 C ALA A 59 12.257 6.619 5.356 1.00 0.00 C ATOM 825 O ALA A 59 12.031 7.491 6.195 1.00 0.00 O ATOM 826 CB ALA A 59 11.088 4.417 5.121 1.00 0.00 C ATOM 0 H ALA A 59 11.481 5.470 7.660 1.00 0.00 H new ATOM 0 HA ALA A 59 13.192 4.704 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.115 4.541 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.143 3.356 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.158 4.831 5.511 1.00 0.00 H new ATOM 832 N SER A 60 12.500 6.892 4.078 1.00 0.00 N ATOM 833 CA SER A 60 12.515 8.263 3.580 1.00 0.00 C ATOM 834 C SER A 60 11.843 8.356 2.215 1.00 0.00 C ATOM 835 O SER A 60 11.837 7.392 1.449 1.00 0.00 O ATOM 836 CB SER A 60 13.953 8.778 3.490 1.00 0.00 C ATOM 837 OG SER A 60 14.434 9.173 4.762 1.00 0.00 O ATOM 0 H SER A 60 12.689 6.183 3.369 1.00 0.00 H new ATOM 0 HA SER A 60 11.956 8.883 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.596 7.999 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.998 9.623 2.803 1.00 0.00 H new ATOM 0 HG SER A 60 13.855 8.803 5.460 1.00 0.00 H new ATOM 843 N ASN A 61 11.279 9.527 1.919 1.00 0.00 N ATOM 844 CA ASN A 61 10.597 9.771 0.646 1.00 0.00 C ATOM 845 C ASN A 61 9.780 8.558 0.203 1.00 0.00 C ATOM 846 O ASN A 61 10.042 7.967 -0.845 1.00 0.00 O ATOM 847 CB ASN A 61 11.607 10.149 -0.443 1.00 0.00 C ATOM 848 CG ASN A 61 12.870 9.311 -0.387 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.917 9.775 0.065 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.777 8.070 -0.848 1.00 0.00 N ATOM 0 H ASN A 61 11.281 10.329 2.549 1.00 0.00 H new ATOM 0 HA ASN A 61 9.909 10.603 0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.141 10.031 -1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.870 11.202 -0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.594 7.459 -0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.889 7.727 -1.214 1.00 0.00 H new ATOM 857 N ILE A 62 8.789 8.194 1.009 1.00 0.00 N ATOM 858 CA ILE A 62 7.933 7.055 0.702 1.00 0.00 C ATOM 859 C ILE A 62 6.749 7.481 -0.160 1.00 0.00 C ATOM 860 O ILE A 62 5.909 8.271 0.271 1.00 0.00 O ATOM 861 CB ILE A 62 7.404 6.382 1.985 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.505 6.303 3.046 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.865 4.995 1.671 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.033 5.725 4.362 1.00 0.00 C ATOM 0 H ILE A 62 8.559 8.672 1.880 1.00 0.00 H new ATOM 0 HA ILE A 62 8.544 6.338 0.154 1.00 0.00 H new ATOM 0 HB ILE A 62 6.590 6.988 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.324 5.694 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.904 7.302 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.495 4.533 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.051 5.075 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.662 4.381 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.864 5.699 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.234 6.346 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.660 4.713 4.202 1.00 0.00 H new ATOM 876 N THR A 63 6.689 6.958 -1.381 1.00 0.00 N ATOM 877 CA THR A 63 5.607 7.292 -2.301 1.00 0.00 C ATOM 878 C THR A 63 5.146 6.064 -3.079 1.00 0.00 C ATOM 879 O THR A 63 5.888 5.092 -3.224 1.00 0.00 O ATOM 880 CB THR A 63 6.056 8.385 -3.272 1.00 0.00 C ATOM 881 OG1 THR A 63 7.456 8.327 -3.481 1.00 0.00 O ATOM 882 CG2 THR A 63 5.721 9.783 -2.797 1.00 0.00 C ATOM 0 H THR A 63 7.375 6.303 -1.756 1.00 0.00 H new ATOM 0 HA THR A 63 4.767 7.658 -1.711 1.00 0.00 H new ATOM 0 HB THR A 63 5.510 8.192 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.723 9.033 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.067 10.510 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.642 9.877 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.213 9.970 -1.842 1.00 0.00 H new ATOM 890 N LEU A 64 3.915 6.116 -3.580 1.00 0.00 N ATOM 891 CA LEU A 64 3.350 5.011 -4.345 1.00 0.00 C ATOM 892 C LEU A 64 3.292 5.351 -5.831 1.00 0.00 C ATOM 893 O LEU A 64 2.777 6.399 -6.219 1.00 0.00 O ATOM 894 CB LEU A 64 1.948 4.674 -3.834 1.00 0.00 C ATOM 895 CG LEU A 64 1.299 3.448 -4.480 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.546 2.207 -3.634 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.194 3.676 -4.680 1.00 0.00 C ATOM 0 H LEU A 64 3.289 6.914 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 64 3.997 4.143 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.000 4.513 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.302 5.536 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 64 1.754 3.291 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.078 1.344 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.619 2.035 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.119 2.352 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.638 2.794 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.667 3.859 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.347 4.539 -5.328 1.00 0.00 H new ATOM 909 N ASP A 65 3.825 4.458 -6.659 1.00 0.00 N ATOM 910 CA ASP A 65 3.835 4.664 -8.103 1.00 0.00 C ATOM 911 C ASP A 65 3.266 3.450 -8.833 1.00 0.00 C ATOM 912 O ASP A 65 3.317 2.329 -8.326 1.00 0.00 O ATOM 913 CB ASP A 65 5.259 4.948 -8.588 1.00 0.00 C ATOM 914 CG ASP A 65 5.449 6.393 -9.008 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.590 7.256 -8.117 1.00 0.00 O ATOM 916 OD2 ASP A 65 5.456 6.661 -10.228 1.00 0.00 O ATOM 0 H ASP A 65 4.256 3.585 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 65 3.204 5.524 -8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.965 4.707 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.491 4.294 -9.429 1.00 0.00 H new ATOM 921 N ILE A 66 2.728 3.682 -10.026 1.00 0.00 N ATOM 922 CA ILE A 66 2.153 2.612 -10.828 1.00 0.00 C ATOM 923 C ILE A 66 3.235 1.912 -11.648 1.00 0.00 C ATOM 924 O ILE A 66 4.188 2.542 -12.105 1.00 0.00 O ATOM 925 CB ILE A 66 1.051 3.156 -11.767 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.256 3.344 -10.993 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.838 2.233 -12.960 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.936 2.043 -10.620 1.00 0.00 C ATOM 0 H ILE A 66 2.679 4.605 -10.458 1.00 0.00 H new ATOM 0 HA ILE A 66 1.704 1.890 -10.146 1.00 0.00 H new ATOM 0 HB ILE A 66 1.377 4.123 -12.149 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.051 3.910 -10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.941 3.942 -11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.058 2.642 -13.602 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.766 2.149 -13.526 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.538 1.246 -12.608 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.855 2.256 -10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.173 1.484 -11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.270 1.451 -9.992 1.00 0.00 H new ATOM 940 N GLU A 67 3.078 0.605 -11.828 1.00 0.00 N ATOM 941 CA GLU A 67 4.039 -0.182 -12.591 1.00 0.00 C ATOM 942 C GLU A 67 3.370 -1.406 -13.210 1.00 0.00 C ATOM 943 O GLU A 67 2.672 -2.155 -12.528 1.00 0.00 O ATOM 944 CB GLU A 67 5.198 -0.618 -11.693 1.00 0.00 C ATOM 945 CG GLU A 67 6.553 -0.573 -12.382 1.00 0.00 C ATOM 946 CD GLU A 67 6.846 -1.832 -13.173 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.236 -2.845 -12.554 1.00 0.00 O ATOM 948 OE2 GLU A 67 6.687 -1.806 -14.412 1.00 0.00 O ATOM 0 H GLU A 67 2.294 0.069 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 67 4.427 0.443 -13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.226 0.024 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.012 -1.633 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.589 0.288 -13.050 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.332 -0.429 -11.634 1.00 0.00 H new ATOM 955 N GLY A 68 3.589 -1.601 -14.506 1.00 0.00 N ATOM 956 CA GLY A 68 3.001 -2.735 -15.195 1.00 0.00 C ATOM 957 C GLY A 68 1.847 -2.334 -16.093 1.00 0.00 C ATOM 958 O GLY A 68 1.258 -1.268 -15.919 1.00 0.00 O ATOM 0 H GLY A 68 4.163 -0.994 -15.092 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.767 -3.230 -15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.651 -3.460 -14.461 1.00 0.00 H new ATOM 962 N ASP A 69 1.526 -3.191 -17.056 1.00 0.00 N ATOM 963 CA ASP A 69 0.435 -2.922 -17.987 1.00 0.00 C ATOM 964 C ASP A 69 -0.925 -3.025 -17.297 1.00 0.00 C ATOM 965 O ASP A 69 -1.945 -2.633 -17.863 1.00 0.00 O ATOM 966 CB ASP A 69 0.495 -3.895 -19.166 1.00 0.00 C ATOM 967 CG ASP A 69 -0.435 -3.495 -20.294 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.820 -2.309 -20.354 1.00 0.00 O ATOM 969 OD2 ASP A 69 -0.780 -4.369 -21.118 1.00 0.00 O ATOM 0 H ASP A 69 2.005 -4.078 -17.213 1.00 0.00 H new ATOM 0 HA ASP A 69 0.553 -1.902 -18.353 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.517 -3.944 -19.542 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.234 -4.896 -18.821 1.00 0.00 H new ATOM 974 N ASP A 70 -0.936 -3.555 -16.077 1.00 0.00 N ATOM 975 CA ASP A 70 -2.175 -3.706 -15.322 1.00 0.00 C ATOM 976 C ASP A 70 -2.377 -2.548 -14.345 1.00 0.00 C ATOM 977 O ASP A 70 -3.441 -2.417 -13.740 1.00 0.00 O ATOM 978 CB ASP A 70 -2.174 -5.035 -14.563 1.00 0.00 C ATOM 979 CG ASP A 70 -3.030 -6.088 -15.239 1.00 0.00 C ATOM 980 OD1 ASP A 70 -2.971 -6.193 -16.482 1.00 0.00 O ATOM 981 OD2 ASP A 70 -3.760 -6.807 -14.524 1.00 0.00 O ATOM 0 H ASP A 70 -0.102 -3.886 -15.591 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.001 -3.698 -16.033 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.151 -5.401 -14.479 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.538 -4.871 -13.549 1.00 0.00 H new ATOM 986 N ASN A 71 -1.351 -1.712 -14.189 1.00 0.00 N ATOM 987 CA ASN A 71 -1.424 -0.573 -13.280 1.00 0.00 C ATOM 988 C ASN A 71 -1.527 -1.044 -11.838 1.00 0.00 C ATOM 989 O ASN A 71 -2.608 -1.052 -11.250 1.00 0.00 O ATOM 990 CB ASN A 71 -2.618 0.319 -13.626 1.00 0.00 C ATOM 991 CG ASN A 71 -2.627 0.735 -15.084 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.034 1.748 -15.456 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.301 -0.048 -15.918 1.00 0.00 N ATOM 0 H ASN A 71 -0.462 -1.803 -14.680 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.509 0.009 -13.394 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.542 -0.211 -13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.597 1.209 -12.997 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.342 0.180 -16.911 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.778 -0.878 -15.565 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.393 -1.440 -11.276 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.350 -1.919 -9.903 1.00 0.00 C ATOM 1002 C ILE A 72 0.374 -0.925 -8.995 1.00 0.00 C ATOM 1003 O ILE A 72 1.569 -0.682 -9.162 1.00 0.00 O ATOM 1004 CB ILE A 72 0.352 -3.289 -9.804 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.119 -4.113 -11.074 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.146 -4.042 -8.583 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.334 -4.464 -11.309 1.00 0.00 C ATOM 0 H ILE A 72 0.510 -1.439 -11.751 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.384 -2.024 -9.575 1.00 0.00 H new ATOM 0 HB ILE A 72 1.424 -3.122 -9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.493 -3.556 -11.933 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.701 -5.032 -11.013 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.355 -5.008 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.071 -3.463 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.222 -4.196 -8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.424 -5.047 -12.225 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.708 -5.049 -10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.919 -3.549 -11.403 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.338 -0.334 -8.016 1.00 0.00 N ATOM 1020 CA PRO A 73 0.254 0.633 -7.086 1.00 0.00 C ATOM 1021 C PRO A 73 1.428 0.043 -6.311 1.00 0.00 C ATOM 1022 O PRO A 73 1.238 -0.717 -5.361 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.897 0.984 -6.132 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.904 -0.100 -6.313 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.765 -0.560 -7.735 1.00 0.00 C ATOM 0 HA PRO A 73 0.660 1.498 -7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.551 1.031 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.322 1.959 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.724 -0.920 -5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.912 0.267 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.038 -1.609 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.405 0.010 -8.408 1.00 0.00 H new ATOM 1033 N VAL A 74 2.640 0.397 -6.725 1.00 0.00 N ATOM 1034 CA VAL A 74 3.846 -0.099 -6.072 1.00 0.00 C ATOM 1035 C VAL A 74 4.482 0.975 -5.196 1.00 0.00 C ATOM 1036 O VAL A 74 4.907 2.020 -5.687 1.00 0.00 O ATOM 1037 CB VAL A 74 4.883 -0.584 -7.102 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.042 -1.281 -6.406 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.232 -1.505 -8.122 1.00 0.00 C ATOM 0 H VAL A 74 2.813 1.025 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 74 3.542 -0.939 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 74 5.277 0.284 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.764 -1.617 -7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.525 -0.586 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.668 -2.141 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.980 -1.838 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.808 -2.371 -7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.440 -0.968 -8.644 1.00 0.00 H new ATOM 1049 N LEU A 75 4.546 0.708 -3.895 1.00 0.00 N ATOM 1050 CA LEU A 75 5.133 1.649 -2.949 1.00 0.00 C ATOM 1051 C LEU A 75 6.641 1.446 -2.850 1.00 0.00 C ATOM 1052 O LEU A 75 7.109 0.384 -2.442 1.00 0.00 O ATOM 1053 CB LEU A 75 4.491 1.485 -1.570 1.00 0.00 C ATOM 1054 CG LEU A 75 5.037 2.411 -0.482 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.994 3.862 -0.942 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.251 2.234 0.809 1.00 0.00 C ATOM 0 H LEU A 75 4.198 -0.153 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 75 4.943 2.659 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.418 1.655 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.623 0.453 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 75 6.077 2.145 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.386 4.505 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.601 3.977 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.964 4.144 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.652 2.900 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.202 2.474 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.335 1.201 1.147 1.00 0.00 H new ATOM 1068 N ARG A 76 7.395 2.471 -3.232 1.00 0.00 N ATOM 1069 CA ARG A 76 8.852 2.407 -3.191 1.00 0.00 C ATOM 1070 C ARG A 76 9.420 3.462 -2.248 1.00 0.00 C ATOM 1071 O ARG A 76 9.041 4.632 -2.308 1.00 0.00 O ATOM 1072 CB ARG A 76 9.429 2.601 -4.595 1.00 0.00 C ATOM 1073 CG ARG A 76 9.556 1.309 -5.385 1.00 0.00 C ATOM 1074 CD ARG A 76 9.684 1.578 -6.876 1.00 0.00 C ATOM 1075 NE ARG A 76 8.385 1.580 -7.546 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.234 1.528 -8.868 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.296 1.469 -9.663 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.018 1.534 -9.397 1.00 0.00 N ATOM 0 H ARG A 76 7.022 3.357 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 76 9.136 1.423 -2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.794 3.294 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.412 3.065 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.427 0.753 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.684 0.681 -5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.173 2.540 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.324 0.820 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 76 7.546 1.624 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.234 1.463 -9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.174 1.429 -10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.199 1.578 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.902 1.494 -10.410 1.00 0.00 H new ATOM 1092 N ALA A 77 10.334 3.041 -1.379 1.00 0.00 N ATOM 1093 CA ALA A 77 10.958 3.950 -0.425 1.00 0.00 C ATOM 1094 C ALA A 77 12.189 3.317 0.213 1.00 0.00 C ATOM 1095 O ALA A 77 12.204 2.120 0.500 1.00 0.00 O ATOM 1096 CB ALA A 77 9.958 4.360 0.645 1.00 0.00 C ATOM 0 H ALA A 77 10.659 2.076 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 77 11.279 4.840 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.438 5.039 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.111 4.862 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.608 3.474 1.175 1.00 0.00 H new ATOM 1102 N GLU A 78 13.217 4.127 0.438 1.00 0.00 N ATOM 1103 CA GLU A 78 14.450 3.643 1.049 1.00 0.00 C ATOM 1104 C GLU A 78 14.213 3.258 2.506 1.00 0.00 C ATOM 1105 O GLU A 78 13.781 4.081 3.313 1.00 0.00 O ATOM 1106 CB GLU A 78 15.545 4.708 0.958 1.00 0.00 C ATOM 1107 CG GLU A 78 15.145 6.049 1.551 1.00 0.00 C ATOM 1108 CD GLU A 78 16.278 7.056 1.531 1.00 0.00 C ATOM 1109 OE1 GLU A 78 16.553 7.619 0.451 1.00 0.00 O ATOM 1110 OE2 GLU A 78 16.890 7.281 2.596 1.00 0.00 O ATOM 0 H GLU A 78 13.222 5.120 0.207 1.00 0.00 H new ATOM 0 HA GLU A 78 14.776 2.757 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.436 4.345 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.815 4.850 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.298 6.450 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.812 5.903 2.578 1.00 0.00 H new ATOM 1117 N LEU A 79 14.492 2.001 2.834 1.00 0.00 N ATOM 1118 CA LEU A 79 14.303 1.507 4.194 1.00 0.00 C ATOM 1119 C LEU A 79 15.642 1.292 4.893 1.00 0.00 C ATOM 1120 O LEU A 79 16.647 0.987 4.252 1.00 0.00 O ATOM 1121 CB LEU A 79 13.512 0.197 4.177 1.00 0.00 C ATOM 1122 CG LEU A 79 11.994 0.355 4.078 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.338 -0.983 3.774 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.436 0.946 5.363 1.00 0.00 C ATOM 0 H LEU A 79 14.849 1.306 2.178 1.00 0.00 H new ATOM 0 HA LEU A 79 13.742 2.260 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.854 -0.405 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.745 -0.361 5.084 1.00 0.00 H new ATOM 0 HG LEU A 79 11.770 1.040 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.258 -0.852 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.716 -1.367 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.569 -1.691 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.355 1.052 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.670 0.286 6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.883 1.925 5.538 1.00 0.00 H new ATOM 1136 N ASN A 80 15.642 1.445 6.213 1.00 0.00 N ATOM 1137 CA ASN A 80 16.851 1.261 7.006 1.00 0.00 C ATOM 1138 C ASN A 80 16.905 -0.154 7.582 1.00 0.00 C ATOM 1139 O ASN A 80 16.180 -0.473 8.524 1.00 0.00 O ATOM 1140 CB ASN A 80 16.903 2.287 8.140 1.00 0.00 C ATOM 1141 CG ASN A 80 17.664 3.540 7.752 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.872 3.639 7.970 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.959 4.506 7.174 1.00 0.00 N ATOM 0 H ASN A 80 14.816 1.696 6.757 1.00 0.00 H new ATOM 0 HA ASN A 80 17.713 1.407 6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.887 2.557 8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.373 1.835 9.013 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.417 5.373 6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.960 4.381 7.012 1.00 0.00 H new ATOM 1150 N PRO A 81 17.763 -1.026 7.022 1.00 0.00 N ATOM 1151 CA PRO A 81 17.896 -2.408 7.488 1.00 0.00 C ATOM 1152 C PRO A 81 18.679 -2.511 8.791 1.00 0.00 C ATOM 1153 O PRO A 81 19.341 -1.561 9.208 1.00 0.00 O ATOM 1154 CB PRO A 81 18.660 -3.085 6.352 1.00 0.00 C ATOM 1155 CG PRO A 81 19.486 -1.995 5.762 1.00 0.00 C ATOM 1156 CD PRO A 81 18.667 -0.738 5.891 1.00 0.00 C ATOM 0 HA PRO A 81 16.929 -2.861 7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.282 -3.900 6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.980 -3.512 5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.436 -1.897 6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.719 -2.204 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.295 0.130 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.111 -0.526 4.978 1.00 0.00 H new ATOM 1164 N MET A 82 18.602 -3.675 9.427 1.00 0.00 N ATOM 1165 CA MET A 82 19.307 -3.909 10.681 1.00 0.00 C ATOM 1166 C MET A 82 20.792 -4.161 10.434 1.00 0.00 C ATOM 1167 O MET A 82 21.619 -3.978 11.328 1.00 0.00 O ATOM 1168 CB MET A 82 18.692 -5.100 11.420 1.00 0.00 C ATOM 1169 CG MET A 82 18.541 -6.340 10.554 1.00 0.00 C ATOM 1170 SD MET A 82 18.602 -7.867 11.512 1.00 0.00 S ATOM 1171 CE MET A 82 20.370 -8.072 11.711 1.00 0.00 C ATOM 0 H MET A 82 18.058 -4.471 9.094 1.00 0.00 H new ATOM 0 HA MET A 82 19.207 -3.015 11.297 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.313 -5.342 12.282 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.713 -4.813 11.803 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.594 -6.290 10.017 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.332 -6.354 9.805 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.569 -8.977 12.285 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.839 -8.154 10.731 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.779 -7.210 12.238 1.00 0.00 H new ATOM 1181 N ASP A 83 21.125 -4.581 9.216 1.00 0.00 N ATOM 1182 CA ASP A 83 22.511 -4.855 8.855 1.00 0.00 C ATOM 1183 C ASP A 83 23.297 -3.558 8.698 1.00 0.00 C ATOM 1184 O ASP A 83 24.413 -3.431 9.201 1.00 0.00 O ATOM 1185 CB ASP A 83 22.571 -5.662 7.558 1.00 0.00 C ATOM 1186 CG ASP A 83 23.785 -6.569 7.497 1.00 0.00 C ATOM 1187 OD1 ASP A 83 23.872 -7.500 8.325 1.00 0.00 O ATOM 1188 OD2 ASP A 83 24.647 -6.349 6.621 1.00 0.00 O ATOM 0 H ASP A 83 20.454 -4.738 8.464 1.00 0.00 H new ATOM 0 HA ASP A 83 22.962 -5.438 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.667 -6.263 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.588 -4.979 6.709 1.00 0.00 H new ATOM 1193 N GLY A 84 22.706 -2.595 7.997 1.00 0.00 N ATOM 1194 CA GLY A 84 23.365 -1.320 7.786 1.00 0.00 C ATOM 1195 C GLY A 84 23.175 -0.794 6.377 1.00 0.00 C ATOM 1196 O GLY A 84 22.934 -1.564 5.447 1.00 0.00 O ATOM 0 H GLY A 84 21.782 -2.676 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.976 -0.592 8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.430 -1.427 7.990 1.00 0.00 H new ATOM 1200 N ASP A 85 23.285 0.521 6.220 1.00 0.00 N ATOM 1201 CA ASP A 85 23.125 1.155 4.916 1.00 0.00 C ATOM 1202 C ASP A 85 21.712 0.942 4.375 1.00 0.00 C ATOM 1203 O ASP A 85 21.361 -0.162 3.959 1.00 0.00 O ATOM 1204 CB ASP A 85 24.152 0.601 3.926 1.00 0.00 C ATOM 1205 CG ASP A 85 25.578 0.892 4.348 1.00 0.00 C ATOM 1206 OD1 ASP A 85 26.053 0.255 5.312 1.00 0.00 O ATOM 1207 OD2 ASP A 85 26.221 1.756 3.716 1.00 0.00 O ATOM 0 H ASP A 85 23.485 1.170 6.981 1.00 0.00 H new ATOM 0 HA ASP A 85 23.290 2.226 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.017 -0.476 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.972 1.032 2.941 1.00 0.00 H new ATOM 1212 N PRO A 86 20.878 1.999 4.370 1.00 0.00 N ATOM 1213 CA PRO A 86 19.501 1.913 3.874 1.00 0.00 C ATOM 1214 C PRO A 86 19.422 1.278 2.490 1.00 0.00 C ATOM 1215 O PRO A 86 20.328 1.436 1.671 1.00 0.00 O ATOM 1216 CB PRO A 86 19.052 3.374 3.817 1.00 0.00 C ATOM 1217 CG PRO A 86 19.882 4.063 4.844 1.00 0.00 C ATOM 1218 CD PRO A 86 21.210 3.357 4.846 1.00 0.00 C ATOM 0 HA PRO A 86 18.877 1.286 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.213 3.800 2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 86 17.989 3.471 4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.002 5.119 4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.411 4.011 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.927 3.849 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.652 3.336 5.842 1.00 0.00 H new ATOM 1226 N VAL A 87 18.334 0.559 2.235 1.00 0.00 N ATOM 1227 CA VAL A 87 18.139 -0.100 0.950 1.00 0.00 C ATOM 1228 C VAL A 87 16.779 0.248 0.355 1.00 0.00 C ATOM 1229 O VAL A 87 15.779 0.322 1.068 1.00 0.00 O ATOM 1230 CB VAL A 87 18.252 -1.630 1.081 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.693 -2.038 1.345 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.335 -2.141 2.181 1.00 0.00 C ATOM 0 H VAL A 87 17.575 0.418 2.901 1.00 0.00 H new ATOM 0 HA VAL A 87 18.926 0.260 0.287 1.00 0.00 H new ATOM 0 HB VAL A 87 17.938 -2.081 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.753 -3.123 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.322 -1.707 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.038 -1.578 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.429 -3.224 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.615 -1.684 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.303 -1.882 1.944 1.00 0.00 H new ATOM 1242 N GLU A 88 16.751 0.461 -0.957 1.00 0.00 N ATOM 1243 CA GLU A 88 15.513 0.800 -1.648 1.00 0.00 C ATOM 1244 C GLU A 88 14.526 -0.361 -1.593 1.00 0.00 C ATOM 1245 O GLU A 88 14.769 -1.424 -2.165 1.00 0.00 O ATOM 1246 CB GLU A 88 15.804 1.175 -3.104 1.00 0.00 C ATOM 1247 CG GLU A 88 15.470 2.619 -3.439 1.00 0.00 C ATOM 1248 CD GLU A 88 16.501 3.261 -4.346 1.00 0.00 C ATOM 1249 OE1 GLU A 88 16.748 2.717 -5.443 1.00 0.00 O ATOM 1250 OE2 GLU A 88 17.062 4.308 -3.960 1.00 0.00 O ATOM 0 H GLU A 88 17.571 0.405 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 88 15.065 1.656 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.859 0.997 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.234 0.517 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.493 2.660 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.395 3.194 -2.516 1.00 0.00 H new ATOM 1257 N ALA A 89 13.411 -0.151 -0.901 1.00 0.00 N ATOM 1258 CA ALA A 89 12.388 -1.180 -0.772 1.00 0.00 C ATOM 1259 C ALA A 89 11.181 -0.860 -1.646 1.00 0.00 C ATOM 1260 O ALA A 89 10.810 0.302 -1.808 1.00 0.00 O ATOM 1261 CB ALA A 89 11.966 -1.325 0.682 1.00 0.00 C ATOM 0 H ALA A 89 13.194 0.723 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 89 12.811 -2.126 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.201 -2.097 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.830 -1.604 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.564 -0.377 1.041 1.00 0.00 H new ATOM 1267 N ASN A 90 10.572 -1.898 -2.208 1.00 0.00 N ATOM 1268 CA ASN A 90 9.406 -1.725 -3.066 1.00 0.00 C ATOM 1269 C ASN A 90 8.361 -2.801 -2.788 1.00 0.00 C ATOM 1270 O ASN A 90 8.641 -3.995 -2.898 1.00 0.00 O ATOM 1271 CB ASN A 90 9.820 -1.755 -4.543 1.00 0.00 C ATOM 1272 CG ASN A 90 10.133 -3.154 -5.042 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.460 -3.672 -5.933 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.157 -3.774 -4.467 1.00 0.00 N ATOM 0 H ASN A 90 10.866 -2.867 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 90 8.963 -0.754 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.019 -1.330 -5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.696 -1.121 -4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.412 -4.717 -4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.688 -3.307 -3.732 1.00 0.00 H new ATOM 1281 N VAL A 91 7.156 -2.372 -2.430 1.00 0.00 N ATOM 1282 CA VAL A 91 6.073 -3.302 -2.140 1.00 0.00 C ATOM 1283 C VAL A 91 4.795 -2.904 -2.870 1.00 0.00 C ATOM 1284 O VAL A 91 4.373 -1.749 -2.821 1.00 0.00 O ATOM 1285 CB VAL A 91 5.786 -3.382 -0.627 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.284 -2.044 -0.102 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.784 -4.488 -0.332 1.00 0.00 C ATOM 0 H VAL A 91 6.905 -1.388 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 91 6.398 -4.282 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 91 6.718 -3.619 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.088 -2.123 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.040 -1.278 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.365 -1.772 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.594 -4.530 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.852 -4.284 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.188 -5.444 -0.666 1.00 0.00 H new ATOM 1297 N ASN A 92 4.182 -3.870 -3.543 1.00 0.00 N ATOM 1298 CA ASN A 92 2.952 -3.626 -4.280 1.00 0.00 C ATOM 1299 C ASN A 92 1.741 -3.797 -3.365 1.00 0.00 C ATOM 1300 O ASN A 92 1.405 -4.911 -2.968 1.00 0.00 O ATOM 1301 CB ASN A 92 2.872 -4.580 -5.481 1.00 0.00 C ATOM 1302 CG ASN A 92 1.452 -4.854 -5.936 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.581 -3.989 -5.850 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.215 -6.065 -6.424 1.00 0.00 N ATOM 0 H ASN A 92 4.519 -4.831 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 92 2.951 -2.600 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.437 -4.156 -6.311 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.351 -5.524 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.279 -6.311 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.969 -6.750 -6.476 1.00 0.00 H new ATOM 1311 N LEU A 93 1.092 -2.684 -3.030 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.080 -2.713 -2.157 1.00 0.00 C ATOM 1313 C LEU A 93 -1.081 -3.768 -2.618 1.00 0.00 C ATOM 1314 O LEU A 93 -1.689 -4.460 -1.803 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.750 -1.338 -2.122 1.00 0.00 C ATOM 1316 CG LEU A 93 0.137 -0.197 -1.619 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.651 1.101 -1.549 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.725 -0.540 -0.258 1.00 0.00 C ATOM 0 H LEU A 93 1.357 -1.752 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 93 0.255 -2.973 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.095 -1.093 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.634 -1.398 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 93 0.957 -0.062 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.004 1.901 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.024 1.354 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.492 0.980 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.353 0.282 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.082 -0.702 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.326 -1.446 -0.339 1.00 0.00 H new ATOM 1330 N SER A 94 -1.238 -3.892 -3.932 1.00 0.00 N ATOM 1331 CA SER A 94 -2.156 -4.869 -4.507 1.00 0.00 C ATOM 1332 C SER A 94 -1.776 -6.293 -4.103 1.00 0.00 C ATOM 1333 O SER A 94 -2.554 -7.226 -4.287 1.00 0.00 O ATOM 1334 CB SER A 94 -2.175 -4.751 -6.031 1.00 0.00 C ATOM 1335 OG SER A 94 -2.334 -3.403 -6.437 1.00 0.00 O ATOM 0 H SER A 94 -0.740 -3.327 -4.620 1.00 0.00 H new ATOM 0 HA SER A 94 -3.152 -4.656 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.247 -5.150 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.988 -5.354 -6.435 1.00 0.00 H new ATOM 0 HG SER A 94 -2.697 -2.878 -5.693 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.574 -6.461 -3.564 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.104 -7.776 -3.149 1.00 0.00 C ATOM 1343 C GLU A 95 -1.007 -8.371 -2.074 1.00 0.00 C ATOM 1344 O GLU A 95 -1.387 -9.540 -2.148 1.00 0.00 O ATOM 1345 CB GLU A 95 1.328 -7.690 -2.622 1.00 0.00 C ATOM 1346 CG GLU A 95 2.373 -7.538 -3.716 1.00 0.00 C ATOM 1347 CD GLU A 95 3.423 -8.632 -3.678 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.083 -9.792 -3.990 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.585 -8.327 -3.336 1.00 0.00 O ATOM 0 H GLU A 95 0.091 -5.704 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.129 -8.426 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.404 -6.844 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.548 -8.588 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.880 -7.547 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.861 -6.568 -3.615 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.338 -7.567 -1.067 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.184 -8.031 0.027 1.00 0.00 C ATOM 1358 C ARG A 96 -3.184 -6.962 0.455 1.00 0.00 C ATOM 1359 O ARG A 96 -3.454 -6.794 1.644 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.319 -8.434 1.222 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.369 -9.581 0.925 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.906 -10.897 1.460 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.364 -11.210 2.780 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.419 -12.418 3.336 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -0.992 -13.427 2.693 1.00 0.00 N ATOM 1366 NH2 ARG A 96 0.102 -12.617 4.540 1.00 0.00 N ATOM 0 H ARG A 96 -1.035 -6.596 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.744 -8.895 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.741 -7.570 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.968 -8.716 2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.216 -9.659 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.604 -9.375 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.994 -10.849 1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.657 -11.700 0.766 1.00 0.00 H new ATOM 0 HE ARG A 96 0.083 -10.459 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.394 -13.279 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.031 -14.350 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.544 -11.845 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.060 -13.542 4.967 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.742 -6.247 -0.515 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.720 -5.208 -0.220 1.00 0.00 C ATOM 1382 C ILE A 97 -6.010 -5.455 -0.993 1.00 0.00 C ATOM 1383 O ILE A 97 -6.016 -5.448 -2.221 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.162 -3.809 -0.565 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.997 -3.463 0.365 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.253 -2.749 -0.469 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.411 -3.262 1.807 1.00 0.00 C ATOM 0 H ILE A 97 -3.535 -6.367 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.933 -5.243 0.848 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.799 -3.828 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.255 -4.260 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.513 -2.555 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.835 -1.773 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.055 -2.988 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.650 -2.727 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.534 -3.020 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.130 -2.445 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.868 -4.176 2.185 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.101 -5.669 -0.268 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.376 -5.921 -0.912 1.00 0.00 C ATOM 1401 C GLY A 98 -9.424 -4.879 -0.577 1.00 0.00 C ATOM 1402 O GLY A 98 -9.137 -3.892 0.101 1.00 0.00 O ATOM 0 H GLY A 98 -7.126 -5.673 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.232 -5.950 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.740 -6.904 -0.613 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.645 -5.103 -1.052 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.748 -4.183 -0.801 1.00 0.00 C ATOM 1408 C ASN A 99 -13.013 -4.947 -0.424 1.00 0.00 C ATOM 1409 O ASN A 99 -13.686 -5.515 -1.285 1.00 0.00 O ATOM 1410 CB ASN A 99 -12.009 -3.317 -2.035 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.264 -4.145 -3.279 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.466 -5.012 -3.637 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.382 -3.881 -3.946 1.00 0.00 N ATOM 0 H ASN A 99 -10.896 -5.916 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.470 -3.538 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.868 -2.673 -1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.153 -2.665 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.608 -4.406 -4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.015 -3.154 -3.613 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.330 -4.961 0.866 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.514 -5.659 1.355 1.00 0.00 C ATOM 1422 C ASP A 100 -15.718 -4.725 1.405 1.00 0.00 C ATOM 1423 O ASP A 100 -15.722 -3.741 2.145 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.250 -6.243 2.744 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.326 -7.221 3.175 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.418 -8.308 2.567 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -16.076 -6.899 4.121 1.00 0.00 O ATOM 0 H ASP A 100 -12.784 -4.497 1.592 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.737 -6.471 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.283 -6.747 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.188 -5.432 3.470 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.739 -5.040 0.613 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.952 -4.230 0.566 1.00 0.00 C ATOM 1434 C CYS A 101 -17.622 -2.769 0.278 1.00 0.00 C ATOM 1435 O CYS A 101 -18.330 -1.863 0.718 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.715 -4.341 1.887 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.505 -4.146 1.722 1.00 0.00 S ATOM 0 H CYS A 101 -16.750 -5.851 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.579 -4.607 -0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.506 -5.312 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.340 -3.585 2.576 1.00 0.00 H new ATOM 0 HG CYS A 101 -21.063 -4.258 2.891 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.540 -2.547 -0.461 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.134 -1.195 -0.793 1.00 0.00 C ATOM 1445 C GLY A 102 -15.128 -0.629 0.192 1.00 0.00 C ATOM 1446 O GLY A 102 -14.471 0.373 -0.091 1.00 0.00 O ATOM 0 H GLY A 102 -15.937 -3.280 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.702 -1.185 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -17.013 -0.551 -0.819 1.00 0.00 H new ATOM 1450 N THR A 103 -15.004 -1.271 1.351 1.00 0.00 N ATOM 1451 CA THR A 103 -14.070 -0.823 2.377 1.00 0.00 C ATOM 1452 C THR A 103 -12.684 -1.415 2.144 1.00 0.00 C ATOM 1453 O THR A 103 -12.552 -2.539 1.662 1.00 0.00 O ATOM 1454 CB THR A 103 -14.578 -1.215 3.765 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.971 -0.986 3.872 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.900 -0.456 4.886 1.00 0.00 C ATOM 0 H THR A 103 -15.539 -2.103 1.602 1.00 0.00 H new ATOM 0 HA THR A 103 -13.997 0.263 2.319 1.00 0.00 H new ATOM 0 HB THR A 103 -14.343 -2.274 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.277 -1.244 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.306 -0.782 5.844 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.828 -0.651 4.861 1.00 0.00 H new ATOM 0 HG23 THR A 103 -14.077 0.612 4.761 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.654 -0.650 2.490 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.277 -1.097 2.318 1.00 0.00 C ATOM 1466 C LEU A 104 -9.918 -2.166 3.347 1.00 0.00 C ATOM 1467 O LEU A 104 -10.116 -1.977 4.548 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.317 0.091 2.437 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.644 0.516 1.130 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.682 -0.560 0.651 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.687 0.814 0.062 1.00 0.00 C ATOM 0 H LEU A 104 -11.747 0.283 2.891 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.182 -1.533 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.866 0.943 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.542 -0.159 3.162 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.076 1.427 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.213 -0.240 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.914 -0.724 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.229 -1.488 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.189 1.114 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.284 -0.079 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.336 1.620 0.403 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.390 -3.288 2.868 1.00 0.00 N ATOM 1484 CA ILE A 105 -9.003 -4.386 3.746 1.00 0.00 C ATOM 1485 C ILE A 105 -7.633 -4.936 3.365 1.00 0.00 C ATOM 1486 O ILE A 105 -7.064 -4.558 2.341 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.035 -5.530 3.705 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.173 -6.075 2.283 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.381 -5.048 4.226 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.349 -7.577 2.225 1.00 0.00 C ATOM 0 H ILE A 105 -9.221 -3.460 1.877 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.961 -3.983 4.758 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.685 -6.337 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.027 -5.599 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.288 -5.799 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.099 -5.867 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.271 -4.705 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.738 -4.226 3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.440 -7.893 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.484 -8.062 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.250 -7.859 2.770 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.108 -5.830 4.197 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.804 -6.431 3.949 1.00 0.00 C ATOM 1504 C PHE A 106 -5.910 -7.955 3.915 1.00 0.00 C ATOM 1505 O PHE A 106 -6.611 -8.557 4.728 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.809 -5.982 5.026 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.661 -6.929 5.231 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.769 -7.976 6.129 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.482 -6.774 4.523 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.718 -8.853 6.320 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.427 -7.646 4.709 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.545 -8.688 5.609 1.00 0.00 C ATOM 0 H PHE A 106 -7.566 -6.154 5.049 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.443 -6.097 2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.415 -5.002 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.341 -5.862 5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.684 -8.109 6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.386 -5.962 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.814 -9.666 7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.511 -7.514 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.722 -9.372 5.756 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.208 -8.570 2.968 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.222 -10.022 2.827 1.00 0.00 C ATOM 1524 C LEU A 107 -4.528 -10.689 4.010 1.00 0.00 C ATOM 1525 O LEU A 107 -3.302 -10.783 4.051 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.539 -10.434 1.522 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.457 -10.494 0.300 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -5.681 -9.101 -0.268 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.874 -11.416 -0.759 1.00 0.00 C ATOM 0 H LEU A 107 -4.623 -8.086 2.287 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.261 -10.351 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.731 -9.732 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.082 -11.414 1.663 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.421 -10.896 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.336 -9.163 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.143 -8.469 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.724 -8.671 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.540 -11.447 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.897 -11.043 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.766 -12.420 -0.348 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.322 -11.153 4.971 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.784 -11.812 6.154 1.00 0.00 C ATOM 1543 C ALA A 108 -5.268 -13.255 6.247 1.00 0.00 C ATOM 1544 O ALA A 108 -4.604 -14.059 6.933 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.170 -11.042 7.408 1.00 0.00 C ATOM 1546 OXT ALA A 108 -6.309 -13.569 5.632 1.00 0.00 O ATOM 0 H ALA A 108 -6.340 -11.084 4.952 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.697 -11.826 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.762 -11.545 8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.769 -10.030 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.256 -10.998 7.488 1.00 0.00 H new