USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 500 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot -71:sc= 0.242 USER MOD Set 2.1: A 18 SER OG : rot -44:sc= 0.321 USER MOD Set 2.2: A 53 SER OG : rot 180:sc= -0.36 USER MOD Set 2.3: A 57 ASN : amide:sc= -4.75! C(o=-4.8!,f=-5.5!) USER MOD Set 3.1: A 30 GLN : amide:sc= -0.302 X(o=-0.79,f=-0.91) USER MOD Set 3.2: A 43 TYR OH : rot 165:sc= -0.485 USER MOD Set 4.1: A 20 THR OG1 : rot -145:sc= -1.26 USER MOD Set 4.2: A 34 GLN : amide:sc= -6.57 K(o=-7.8,f=-12!) USER MOD Set 5.1: A 15 ASN :FLIP amide:sc= -0.241 F(o=-3.7,f=-2.2) USER MOD Set 5.2: A 16 ASN :FLIP amide:sc= -1.97 F(o=-3.6,f=-2.2) USER MOD Set 6.1: A 12 ASN : amide:sc= -0.0311 X(o=-0.065,f=0) USER MOD Set 6.2: A 37 GLN : amide:sc= -0.0342 X(o=-0.065,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -6.13 K(o=-6.1,f=-9.6!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00997) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -31:sc= 0.603 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 35 ASN : amide:sc= -0.97! C(o=-0.97!,f=-1.1!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.626 F(o=-1.3,f=-0.63) USER MOD Single : A 55 THR OG1 : rot 126:sc= 1.19 USER MOD Single : A 59 SER OG : rot -111:sc= 2.06 USER MOD Single : A 64 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.033) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -1.58 F(o=-2.7!,f=-1.6) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -118:sc= -0.104 USER MOD Single : A 81 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.2) USER MOD Single : A 83 ASN :FLIP amide:sc= -4.77! F(o=-5.4,f=-4.8!) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -1.42 (180deg=-2.26) USER MOD Single : A 89 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N CYS A 4 -2.038 7.138 -4.667 1.00 0.00 N ATOM 41 CA CYS A 4 -2.643 8.067 -3.708 1.00 0.00 C ATOM 42 C CYS A 4 -4.155 8.168 -3.893 1.00 0.00 C ATOM 43 O CYS A 4 -4.639 9.005 -4.649 1.00 0.00 O ATOM 44 CB CYS A 4 -2.033 9.476 -3.829 1.00 0.00 C ATOM 45 SG CYS A 4 -0.397 9.563 -4.641 1.00 0.00 S ATOM 0 HA CYS A 4 -2.432 7.664 -2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.728 10.107 -4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.945 9.901 -2.829 1.00 0.00 H new ATOM 50 N TRP A 5 -4.907 7.329 -3.187 1.00 0.00 N ATOM 51 CA TRP A 5 -6.361 7.365 -3.289 1.00 0.00 C ATOM 52 C TRP A 5 -6.875 8.778 -3.016 1.00 0.00 C ATOM 53 O TRP A 5 -7.986 9.133 -3.410 1.00 0.00 O ATOM 54 CB TRP A 5 -7.003 6.366 -2.323 1.00 0.00 C ATOM 55 CG TRP A 5 -6.587 6.550 -0.897 1.00 0.00 C ATOM 56 CD1 TRP A 5 -5.719 5.773 -0.194 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.028 7.570 0.000 1.00 0.00 C ATOM 58 NE1 TRP A 5 -5.589 6.248 1.089 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.384 7.353 1.231 1.00 0.00 C ATOM 60 CE3 TRP A 5 -7.902 8.645 -0.123 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.593 8.176 2.335 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -8.111 9.464 0.970 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.457 9.226 2.187 1.00 0.00 C ATOM 0 H TRP A 5 -4.540 6.625 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.640 7.080 -4.303 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.087 6.456 -2.390 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -6.747 5.354 -2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.206 4.908 -0.588 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.998 5.844 1.815 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.409 8.836 -1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.091 7.992 3.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.789 10.301 0.885 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.639 9.884 3.024 1.00 0.00 H new ATOM 74 N ALA A 6 -6.049 9.583 -2.348 1.00 0.00 N ATOM 75 CA ALA A 6 -6.405 10.956 -2.031 1.00 0.00 C ATOM 76 C ALA A 6 -6.231 11.866 -3.248 1.00 0.00 C ATOM 77 O ALA A 6 -6.890 12.900 -3.353 1.00 0.00 O ATOM 78 CB ALA A 6 -5.567 11.461 -0.865 1.00 0.00 C ATOM 0 H ALA A 6 -5.126 9.302 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.456 10.977 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.843 12.491 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.746 10.835 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.511 11.419 -1.131 1.00 0.00 H new ATOM 84 N GLN A 7 -5.343 11.483 -4.169 1.00 0.00 N ATOM 85 CA GLN A 7 -5.105 12.286 -5.367 1.00 0.00 C ATOM 86 C GLN A 7 -6.373 12.407 -6.209 1.00 0.00 C ATOM 87 O GLN A 7 -6.520 13.346 -6.992 1.00 0.00 O ATOM 88 CB GLN A 7 -3.969 11.696 -6.208 1.00 0.00 C ATOM 89 CG GLN A 7 -4.327 10.401 -6.920 1.00 0.00 C ATOM 90 CD GLN A 7 -3.874 10.387 -8.363 1.00 0.00 C ATOM 91 OE1 GLN A 7 -4.581 10.853 -9.256 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.685 9.848 -8.594 1.00 0.00 N ATOM 0 H GLN A 7 -4.784 10.632 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.812 13.283 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.662 12.432 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.109 11.517 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.872 9.563 -6.392 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.406 10.255 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.135 9.474 -7.820 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.320 9.807 -9.546 1.00 0.00 H new ATOM 101 N SER A 8 -7.285 11.452 -6.045 1.00 0.00 N ATOM 102 CA SER A 8 -8.539 11.455 -6.793 1.00 0.00 C ATOM 103 C SER A 8 -9.288 12.770 -6.599 1.00 0.00 C ATOM 104 O SER A 8 -10.044 13.198 -7.471 1.00 0.00 O ATOM 105 CB SER A 8 -9.420 10.284 -6.356 1.00 0.00 C ATOM 106 OG SER A 8 -10.135 9.745 -7.455 1.00 0.00 O ATOM 0 H SER A 8 -7.179 10.667 -5.402 1.00 0.00 H new ATOM 0 HA SER A 8 -8.301 11.347 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.801 9.508 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.121 10.618 -5.591 1.00 0.00 H new ATOM 0 HG SER A 8 -10.689 8.997 -7.149 1.00 0.00 H new ATOM 112 N GLN A 9 -9.073 13.408 -5.453 1.00 0.00 N ATOM 113 CA GLN A 9 -9.730 14.676 -5.150 1.00 0.00 C ATOM 114 C GLN A 9 -8.770 15.844 -5.347 1.00 0.00 C ATOM 115 O GLN A 9 -9.181 16.938 -5.733 1.00 0.00 O ATOM 116 CB GLN A 9 -10.269 14.682 -3.716 1.00 0.00 C ATOM 117 CG GLN A 9 -10.674 13.309 -3.202 1.00 0.00 C ATOM 118 CD GLN A 9 -9.513 12.555 -2.587 1.00 0.00 C ATOM 119 OE1 GLN A 9 -9.246 11.407 -2.943 1.00 0.00 O ATOM 120 NE2 GLN A 9 -8.818 13.198 -1.657 1.00 0.00 N ATOM 0 H GLN A 9 -8.450 13.069 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.567 14.789 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.508 15.096 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.132 15.347 -3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.464 13.421 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.088 12.725 -4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.076 14.149 -1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.026 12.741 -1.205 1.00 0.00 H new ATOM 129 N GLY A 10 -7.489 15.606 -5.081 1.00 0.00 N ATOM 130 CA GLY A 10 -6.496 16.652 -5.239 1.00 0.00 C ATOM 131 C GLY A 10 -5.359 16.550 -4.238 1.00 0.00 C ATOM 132 O GLY A 10 -4.300 17.145 -4.437 1.00 0.00 O ATOM 0 H GLY A 10 -7.122 14.710 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.088 16.608 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.980 17.623 -5.133 1.00 0.00 H new ATOM 136 N TYR A 11 -5.570 15.799 -3.161 1.00 0.00 N ATOM 137 CA TYR A 11 -4.543 15.636 -2.137 1.00 0.00 C ATOM 138 C TYR A 11 -3.373 14.815 -2.672 1.00 0.00 C ATOM 139 O TYR A 11 -3.357 14.426 -3.840 1.00 0.00 O ATOM 140 CB TYR A 11 -5.127 14.961 -0.894 1.00 0.00 C ATOM 141 CG TYR A 11 -5.768 15.924 0.082 1.00 0.00 C ATOM 142 CD1 TYR A 11 -5.023 16.533 1.086 1.00 0.00 C ATOM 143 CD2 TYR A 11 -7.124 16.218 0.003 1.00 0.00 C ATOM 144 CE1 TYR A 11 -5.611 17.406 1.981 1.00 0.00 C ATOM 145 CE2 TYR A 11 -7.718 17.093 0.893 1.00 0.00 C ATOM 146 CZ TYR A 11 -6.957 17.683 1.880 1.00 0.00 C ATOM 147 OH TYR A 11 -7.546 18.553 2.770 1.00 0.00 O ATOM 0 H TYR A 11 -6.438 15.296 -2.975 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.179 16.626 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.870 14.227 -1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.334 14.415 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.967 16.320 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.724 15.755 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.018 17.869 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.772 17.313 0.816 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.499 18.640 2.560 1.00 0.00 H new ATOM 157 N ASN A 12 -2.398 14.552 -1.809 1.00 0.00 N ATOM 158 CA ASN A 12 -1.226 13.774 -2.193 1.00 0.00 C ATOM 159 C ASN A 12 -0.975 12.654 -1.189 1.00 0.00 C ATOM 160 O ASN A 12 -1.040 12.866 0.018 1.00 0.00 O ATOM 161 CB ASN A 12 0.005 14.677 -2.288 1.00 0.00 C ATOM 162 CG ASN A 12 1.222 13.942 -2.816 1.00 0.00 C ATOM 163 OD1 ASN A 12 1.315 13.651 -4.009 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.162 13.638 -1.929 1.00 0.00 N ATOM 0 H ASN A 12 -2.396 14.866 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.414 13.331 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.217 15.522 -2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.230 15.085 -1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.003 13.144 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.043 13.899 -0.950 1.00 0.00 H new ATOM 171 N CYS A 13 -0.695 11.458 -1.692 1.00 0.00 N ATOM 172 CA CYS A 13 -0.444 10.305 -0.826 1.00 0.00 C ATOM 173 C CYS A 13 0.632 10.613 0.211 1.00 0.00 C ATOM 174 O CYS A 13 1.476 11.485 0.009 1.00 0.00 O ATOM 175 CB CYS A 13 -0.024 9.076 -1.642 1.00 0.00 C ATOM 176 SG CYS A 13 0.962 9.451 -3.130 1.00 0.00 S ATOM 0 H CYS A 13 -0.635 11.258 -2.690 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.380 10.087 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.552 8.409 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.920 8.533 -1.943 1.00 0.00 H new ATOM 181 N CYS A 14 0.589 9.885 1.322 1.00 0.00 N ATOM 182 CA CYS A 14 1.554 10.067 2.400 1.00 0.00 C ATOM 183 C CYS A 14 2.809 9.238 2.156 1.00 0.00 C ATOM 184 O CYS A 14 2.876 8.074 2.551 1.00 0.00 O ATOM 185 CB CYS A 14 0.944 9.650 3.741 1.00 0.00 C ATOM 186 SG CYS A 14 -0.289 10.806 4.414 1.00 0.00 S ATOM 0 H CYS A 14 -0.107 9.161 1.500 1.00 0.00 H new ATOM 0 HA CYS A 14 1.820 11.124 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.477 8.672 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.747 9.534 4.469 1.00 0.00 H new ATOM 191 N ASN A 15 3.811 9.842 1.525 1.00 0.00 N ATOM 192 CA ASN A 15 5.065 9.152 1.261 1.00 0.00 C ATOM 193 C ASN A 15 5.590 8.541 2.557 1.00 0.00 C ATOM 194 O ASN A 15 6.036 9.257 3.451 1.00 0.00 O ATOM 195 CB ASN A 15 6.080 10.127 0.665 1.00 0.00 C ATOM 196 CG ASN A 15 7.429 9.488 0.421 1.00 0.00 C ATOM 197 OD1 ASN A 15 8.410 9.878 1.218 1.00 0.00 O flip ATOM 198 ND2 ASN A 15 7.585 8.654 -0.472 1.00 0.00 N flip ATOM 0 H ASN A 15 3.778 10.804 1.189 1.00 0.00 H new ATOM 0 HA ASN A 15 4.900 8.351 0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.693 10.519 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.201 10.976 1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.797 8.385 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.502 8.232 -0.622 1.00 0.00 H new ATOM 205 N ASN A 16 5.485 7.217 2.659 1.00 0.00 N ATOM 206 CA ASN A 16 5.896 6.473 3.855 1.00 0.00 C ATOM 207 C ASN A 16 4.712 6.360 4.812 1.00 0.00 C ATOM 208 O ASN A 16 4.771 6.827 5.951 1.00 0.00 O ATOM 209 CB ASN A 16 7.078 7.131 4.577 1.00 0.00 C ATOM 210 CG ASN A 16 8.204 7.524 3.643 1.00 0.00 C ATOM 211 OD1 ASN A 16 8.535 8.808 3.633 1.00 0.00 O flip ATOM 212 ND2 ASN A 16 8.767 6.684 2.941 1.00 0.00 N flip ATOM 0 H ASN A 16 5.112 6.627 1.915 1.00 0.00 H new ATOM 0 HA ASN A 16 6.223 5.485 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.726 8.018 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.463 6.444 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.477 5.707 2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.523 6.965 2.317 1.00 0.00 H new ATOM 219 N PRO A 17 3.606 5.747 4.353 1.00 0.00 N ATOM 220 CA PRO A 17 2.392 5.583 5.164 1.00 0.00 C ATOM 221 C PRO A 17 2.594 4.648 6.350 1.00 0.00 C ATOM 222 O PRO A 17 1.816 4.666 7.303 1.00 0.00 O ATOM 223 CB PRO A 17 1.383 4.983 4.180 1.00 0.00 C ATOM 224 CG PRO A 17 2.215 4.328 3.134 1.00 0.00 C ATOM 225 CD PRO A 17 3.450 5.171 3.005 1.00 0.00 C ATOM 0 HA PRO A 17 2.074 6.528 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.729 4.264 4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.743 5.754 3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.467 3.306 3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.679 4.272 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.317 4.575 2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.332 5.946 2.247 1.00 0.00 H new ATOM 233 N SER A 18 3.640 3.834 6.287 1.00 0.00 N ATOM 234 CA SER A 18 3.937 2.893 7.361 1.00 0.00 C ATOM 235 C SER A 18 4.505 3.602 8.589 1.00 0.00 C ATOM 236 O SER A 18 4.749 2.972 9.617 1.00 0.00 O ATOM 237 CB SER A 18 4.923 1.831 6.872 1.00 0.00 C ATOM 238 OG SER A 18 5.022 0.762 7.797 1.00 0.00 O ATOM 0 H SER A 18 4.296 3.806 5.506 1.00 0.00 H new ATOM 0 HA SER A 18 3.001 2.415 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.600 1.449 5.903 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.905 2.282 6.726 1.00 0.00 H new ATOM 0 HG SER A 18 5.081 1.121 8.707 1.00 0.00 H new ATOM 244 N SER A 19 4.717 4.912 8.481 1.00 0.00 N ATOM 245 CA SER A 19 5.259 5.686 9.590 1.00 0.00 C ATOM 246 C SER A 19 4.651 7.086 9.629 1.00 0.00 C ATOM 247 O SER A 19 5.283 8.030 10.101 1.00 0.00 O ATOM 248 CB SER A 19 6.781 5.782 9.472 1.00 0.00 C ATOM 249 OG SER A 19 7.385 5.909 10.748 1.00 0.00 O ATOM 0 H SER A 19 4.522 5.455 7.640 1.00 0.00 H new ATOM 0 HA SER A 19 5.002 5.174 10.518 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.167 4.894 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.048 6.639 8.853 1.00 0.00 H new ATOM 0 HG SER A 19 8.358 5.967 10.645 1.00 0.00 H new ATOM 255 N THR A 20 3.426 7.215 9.129 1.00 0.00 N ATOM 256 CA THR A 20 2.745 8.494 9.108 1.00 0.00 C ATOM 257 C THR A 20 1.655 8.541 10.175 1.00 0.00 C ATOM 258 O THR A 20 0.707 7.755 10.141 1.00 0.00 O ATOM 259 CB THR A 20 2.140 8.732 7.723 1.00 0.00 C ATOM 260 OG1 THR A 20 3.122 9.202 6.820 1.00 0.00 O ATOM 261 CG2 THR A 20 1.007 9.729 7.728 1.00 0.00 C ATOM 0 H THR A 20 2.888 6.444 8.733 1.00 0.00 H new ATOM 0 HA THR A 20 3.468 9.281 9.324 1.00 0.00 H new ATOM 0 HB THR A 20 1.748 7.764 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.716 9.844 6.201 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.625 9.850 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.208 9.369 8.377 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.369 10.689 8.097 1.00 0.00 H new ATOM 269 N LYS A 21 1.785 9.473 11.110 1.00 0.00 N ATOM 270 CA LYS A 21 0.796 9.622 12.167 1.00 0.00 C ATOM 271 C LYS A 21 -0.520 10.120 11.581 1.00 0.00 C ATOM 272 O LYS A 21 -0.607 11.252 11.106 1.00 0.00 O ATOM 273 CB LYS A 21 1.296 10.595 13.238 1.00 0.00 C ATOM 274 CG LYS A 21 0.263 10.906 14.312 1.00 0.00 C ATOM 275 CD LYS A 21 0.185 9.796 15.349 1.00 0.00 C ATOM 276 CE LYS A 21 0.098 10.356 16.759 1.00 0.00 C ATOM 277 NZ LYS A 21 1.400 10.917 17.215 1.00 0.00 N ATOM 0 H LYS A 21 2.561 10.133 11.158 1.00 0.00 H new ATOM 0 HA LYS A 21 0.634 8.650 12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.184 10.176 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.600 11.525 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.518 11.846 14.802 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.714 11.042 13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.686 9.171 15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.063 9.155 15.264 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.665 11.134 16.794 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.218 9.569 17.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.343 11.149 18.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.153 10.216 17.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.615 11.779 16.674 1.00 0.00 H new ATOM 291 N VAL A 22 -1.542 9.275 11.622 1.00 0.00 N ATOM 292 CA VAL A 22 -2.837 9.634 11.104 1.00 0.00 C ATOM 293 C VAL A 22 -3.673 10.268 12.199 1.00 0.00 C ATOM 294 O VAL A 22 -4.305 9.575 12.995 1.00 0.00 O ATOM 295 CB VAL A 22 -3.578 8.403 10.550 1.00 0.00 C ATOM 296 CG1 VAL A 22 -4.801 8.829 9.757 1.00 0.00 C ATOM 297 CG2 VAL A 22 -2.649 7.544 9.700 1.00 0.00 C ATOM 0 H VAL A 22 -1.489 8.334 12.012 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.687 10.344 10.291 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.912 7.798 11.393 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.312 7.946 9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.478 9.387 10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.493 9.460 8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.197 6.681 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.274 8.132 8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.811 7.203 10.308 1.00 0.00 H new ATOM 307 N GLU A 23 -3.679 11.588 12.223 1.00 0.00 N ATOM 308 CA GLU A 23 -4.448 12.322 13.213 1.00 0.00 C ATOM 309 C GLU A 23 -5.871 12.535 12.716 1.00 0.00 C ATOM 310 O GLU A 23 -6.695 13.139 13.401 1.00 0.00 O ATOM 311 CB GLU A 23 -3.792 13.674 13.523 1.00 0.00 C ATOM 312 CG GLU A 23 -3.029 14.278 12.352 1.00 0.00 C ATOM 313 CD GLU A 23 -2.906 15.786 12.450 1.00 0.00 C ATOM 314 OE1 GLU A 23 -2.971 16.313 13.581 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.744 16.440 11.398 1.00 0.00 O ATOM 0 H GLU A 23 -3.161 12.174 11.569 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.473 11.735 14.131 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.563 14.376 13.841 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.108 13.550 14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.033 13.838 12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.534 14.018 11.422 1.00 0.00 H new ATOM 322 N TYR A 24 -6.151 12.034 11.515 1.00 0.00 N ATOM 323 CA TYR A 24 -7.484 12.179 10.933 1.00 0.00 C ATOM 324 C TYR A 24 -7.966 10.885 10.287 1.00 0.00 C ATOM 325 O TYR A 24 -7.169 10.078 9.817 1.00 0.00 O ATOM 326 CB TYR A 24 -7.493 13.306 9.900 1.00 0.00 C ATOM 327 CG TYR A 24 -8.859 13.926 9.695 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.160 15.178 10.220 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.846 13.259 8.981 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.407 15.745 10.037 1.00 0.00 C ATOM 331 CE2 TYR A 24 -11.095 13.821 8.795 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.370 15.063 9.325 1.00 0.00 C ATOM 333 OH TYR A 24 -12.613 15.626 9.141 1.00 0.00 O ATOM 0 H TYR A 24 -5.483 11.530 10.932 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.168 12.423 11.746 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.794 14.081 10.214 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.132 12.918 8.947 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.408 15.715 10.779 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.634 12.285 8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.626 16.719 10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.852 13.289 8.237 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.174 15.017 8.617 1.00 0.00 H new ATOM 343 N THR A 25 -9.281 10.708 10.249 1.00 0.00 N ATOM 344 CA THR A 25 -9.876 9.525 9.640 1.00 0.00 C ATOM 345 C THR A 25 -11.365 9.732 9.394 1.00 0.00 C ATOM 346 O THR A 25 -12.168 9.713 10.327 1.00 0.00 O ATOM 347 CB THR A 25 -9.663 8.291 10.512 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.304 8.167 10.890 1.00 0.00 O ATOM 349 CG2 THR A 25 -10.069 7.009 9.819 1.00 0.00 C ATOM 0 H THR A 25 -9.956 11.369 10.633 1.00 0.00 H new ATOM 0 HA THR A 25 -9.379 9.364 8.683 1.00 0.00 H new ATOM 0 HB THR A 25 -10.296 8.436 11.387 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.733 8.539 10.185 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.896 6.164 10.486 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.127 7.055 9.559 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.478 6.883 8.912 1.00 0.00 H new ATOM 357 N ASP A 26 -11.723 9.925 8.133 1.00 0.00 N ATOM 358 CA ASP A 26 -13.114 10.132 7.754 1.00 0.00 C ATOM 359 C ASP A 26 -13.622 8.944 6.942 1.00 0.00 C ATOM 360 O ASP A 26 -13.042 7.859 6.990 1.00 0.00 O ATOM 361 CB ASP A 26 -13.251 11.427 6.947 1.00 0.00 C ATOM 362 CG ASP A 26 -14.272 12.375 7.544 1.00 0.00 C ATOM 363 OD1 ASP A 26 -15.121 12.888 6.784 1.00 0.00 O ATOM 364 OD2 ASP A 26 -14.225 12.603 8.771 1.00 0.00 O ATOM 0 H ASP A 26 -11.067 9.943 7.352 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.717 10.217 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.283 11.925 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.538 11.185 5.924 1.00 0.00 H new ATOM 369 N ALA A 27 -14.697 9.152 6.190 1.00 0.00 N ATOM 370 CA ALA A 27 -15.261 8.090 5.366 1.00 0.00 C ATOM 371 C ALA A 27 -14.527 7.977 4.031 1.00 0.00 C ATOM 372 O ALA A 27 -14.945 7.232 3.146 1.00 0.00 O ATOM 373 CB ALA A 27 -16.747 8.326 5.140 1.00 0.00 C ATOM 0 H ALA A 27 -15.193 10.041 6.134 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.134 7.147 5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.153 7.524 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.263 8.342 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.891 9.281 4.635 1.00 0.00 H new ATOM 379 N SER A 28 -13.422 8.705 3.900 1.00 0.00 N ATOM 380 CA SER A 28 -12.622 8.671 2.684 1.00 0.00 C ATOM 381 C SER A 28 -11.367 7.838 2.912 1.00 0.00 C ATOM 382 O SER A 28 -10.792 7.287 1.973 1.00 0.00 O ATOM 383 CB SER A 28 -12.242 10.088 2.251 1.00 0.00 C ATOM 384 OG SER A 28 -12.230 10.973 3.357 1.00 0.00 O ATOM 0 H SER A 28 -13.061 9.326 4.624 1.00 0.00 H new ATOM 0 HA SER A 28 -13.213 8.215 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.259 10.076 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.950 10.445 1.503 1.00 0.00 H new ATOM 0 HG SER A 28 -11.983 11.872 3.054 1.00 0.00 H new ATOM 390 N GLY A 29 -10.954 7.745 4.173 1.00 0.00 N ATOM 391 CA GLY A 29 -9.780 6.974 4.517 1.00 0.00 C ATOM 392 C GLY A 29 -8.984 7.598 5.648 1.00 0.00 C ATOM 393 O GLY A 29 -9.555 8.064 6.635 1.00 0.00 O ATOM 0 H GLY A 29 -11.417 8.194 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.082 5.967 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.142 6.878 3.638 1.00 0.00 H new ATOM 397 N GLN A 30 -7.662 7.604 5.506 1.00 0.00 N ATOM 398 CA GLN A 30 -6.784 8.168 6.524 1.00 0.00 C ATOM 399 C GLN A 30 -6.075 9.418 6.010 1.00 0.00 C ATOM 400 O GLN A 30 -5.878 9.584 4.807 1.00 0.00 O ATOM 401 CB GLN A 30 -5.753 7.126 6.961 1.00 0.00 C ATOM 402 CG GLN A 30 -6.114 6.417 8.256 1.00 0.00 C ATOM 403 CD GLN A 30 -6.674 5.027 8.024 1.00 0.00 C ATOM 404 OE1 GLN A 30 -7.733 4.678 8.545 1.00 0.00 O ATOM 405 NE2 GLN A 30 -5.963 4.227 7.239 1.00 0.00 N ATOM 0 H GLN A 30 -7.175 7.224 4.694 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.396 8.452 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.641 6.385 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.785 7.613 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.228 6.347 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.846 7.013 8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.090 4.559 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.289 3.280 7.046 1.00 0.00 H new ATOM 414 N TRP A 31 -5.685 10.294 6.933 1.00 0.00 N ATOM 415 CA TRP A 31 -4.989 11.525 6.574 1.00 0.00 C ATOM 416 C TRP A 31 -3.994 11.924 7.659 1.00 0.00 C ATOM 417 O TRP A 31 -4.181 11.613 8.836 1.00 0.00 O ATOM 418 CB TRP A 31 -5.983 12.665 6.342 1.00 0.00 C ATOM 419 CG TRP A 31 -7.181 12.266 5.539 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.263 11.556 5.973 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.419 12.560 4.160 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.160 11.390 4.946 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.665 11.999 3.822 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.699 13.246 3.177 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -9.205 12.103 2.541 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -7.236 13.348 1.908 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.477 12.780 1.600 1.00 0.00 C ATOM 0 H TRP A 31 -5.839 10.174 7.934 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.444 11.338 5.649 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.315 13.048 7.307 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.472 13.483 5.834 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.395 11.180 6.977 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -10.049 10.894 5.009 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.741 13.688 3.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -10.163 11.666 2.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.688 13.875 1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.869 12.878 0.598 1.00 0.00 H new ATOM 438 N GLY A 32 -2.938 12.619 7.250 1.00 0.00 N ATOM 439 CA GLY A 32 -1.923 13.058 8.187 1.00 0.00 C ATOM 440 C GLY A 32 -0.978 14.067 7.568 1.00 0.00 C ATOM 441 O GLY A 32 -1.148 14.459 6.414 1.00 0.00 O ATOM 0 H GLY A 32 -2.767 12.887 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.403 13.499 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.355 12.196 8.536 1.00 0.00 H new ATOM 445 N VAL A 33 0.022 14.492 8.333 1.00 0.00 N ATOM 446 CA VAL A 33 0.993 15.462 7.844 1.00 0.00 C ATOM 447 C VAL A 33 2.377 14.840 7.710 1.00 0.00 C ATOM 448 O VAL A 33 2.961 14.382 8.693 1.00 0.00 O ATOM 449 CB VAL A 33 1.083 16.686 8.774 1.00 0.00 C ATOM 450 CG1 VAL A 33 2.013 17.738 8.187 1.00 0.00 C ATOM 451 CG2 VAL A 33 -0.300 17.267 9.027 1.00 0.00 C ATOM 0 H VAL A 33 0.180 14.181 9.291 1.00 0.00 H new ATOM 0 HA VAL A 33 0.646 15.784 6.862 1.00 0.00 H new ATOM 0 HB VAL A 33 1.497 16.363 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.063 18.595 8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.010 17.314 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.633 18.059 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.217 18.131 9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.744 17.574 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.931 16.512 9.496 1.00 0.00 H new ATOM 461 N GLN A 34 2.902 14.836 6.489 1.00 0.00 N ATOM 462 CA GLN A 34 4.224 14.279 6.233 1.00 0.00 C ATOM 463 C GLN A 34 5.198 15.366 5.815 1.00 0.00 C ATOM 464 O GLN A 34 4.985 16.054 4.817 1.00 0.00 O ATOM 465 CB GLN A 34 4.168 13.212 5.140 1.00 0.00 C ATOM 466 CG GLN A 34 5.284 12.189 5.249 1.00 0.00 C ATOM 467 CD GLN A 34 4.768 10.765 5.289 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.694 10.467 4.769 1.00 0.00 O ATOM 469 NE2 GLN A 34 5.536 9.876 5.907 1.00 0.00 N ATOM 0 H GLN A 34 2.434 15.211 5.664 1.00 0.00 H new ATOM 0 HA GLN A 34 4.568 13.823 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.207 12.700 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.221 13.696 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.960 12.303 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.866 12.386 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.420 10.168 6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.242 8.901 5.964 1.00 0.00 H new ATOM 478 N ASN A 35 6.277 15.509 6.572 1.00 0.00 N ATOM 479 CA ASN A 35 7.289 16.506 6.259 1.00 0.00 C ATOM 480 C ASN A 35 6.692 17.917 6.261 1.00 0.00 C ATOM 481 O ASN A 35 7.256 18.843 5.680 1.00 0.00 O ATOM 482 CB ASN A 35 7.912 16.169 4.900 1.00 0.00 C ATOM 483 CG ASN A 35 8.871 17.229 4.397 1.00 0.00 C ATOM 484 OD1 ASN A 35 9.703 17.742 5.145 1.00 0.00 O ATOM 485 ND2 ASN A 35 8.753 17.559 3.117 1.00 0.00 N ATOM 0 H ASN A 35 6.473 14.950 7.403 1.00 0.00 H new ATOM 0 HA ASN A 35 8.064 16.488 7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.440 15.219 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.116 16.033 4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.368 18.266 2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.048 17.106 2.536 1.00 0.00 H new ATOM 492 N GLY A 36 5.555 18.076 6.933 1.00 0.00 N ATOM 493 CA GLY A 36 4.914 19.377 7.009 1.00 0.00 C ATOM 494 C GLY A 36 3.945 19.628 5.870 1.00 0.00 C ATOM 495 O GLY A 36 3.863 20.743 5.354 1.00 0.00 O ATOM 0 H GLY A 36 5.067 17.328 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.381 19.459 7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.679 20.153 7.006 1.00 0.00 H new ATOM 499 N GLN A 37 3.208 18.594 5.475 1.00 0.00 N ATOM 500 CA GLN A 37 2.240 18.722 4.388 1.00 0.00 C ATOM 501 C GLN A 37 1.154 17.653 4.486 1.00 0.00 C ATOM 502 O GLN A 37 1.423 16.516 4.871 1.00 0.00 O ATOM 503 CB GLN A 37 2.947 18.625 3.035 1.00 0.00 C ATOM 504 CG GLN A 37 3.606 17.278 2.789 1.00 0.00 C ATOM 505 CD GLN A 37 3.452 16.808 1.356 1.00 0.00 C ATOM 506 OE1 GLN A 37 3.914 17.462 0.421 1.00 0.00 O ATOM 507 NE2 GLN A 37 2.800 15.664 1.176 1.00 0.00 N ATOM 0 H GLN A 37 3.261 17.663 5.888 1.00 0.00 H new ATOM 0 HA GLN A 37 1.765 19.699 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.224 18.817 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.704 19.407 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.666 17.346 3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.171 16.537 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.433 15.154 1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.666 15.296 0.234 1.00 0.00 H new ATOM 516 N TRP A 38 -0.074 18.027 4.131 1.00 0.00 N ATOM 517 CA TRP A 38 -1.199 17.099 4.174 1.00 0.00 C ATOM 518 C TRP A 38 -0.990 15.954 3.192 1.00 0.00 C ATOM 519 O TRP A 38 -0.259 16.092 2.211 1.00 0.00 O ATOM 520 CB TRP A 38 -2.507 17.818 3.844 1.00 0.00 C ATOM 521 CG TRP A 38 -3.040 18.649 4.969 1.00 0.00 C ATOM 522 CD1 TRP A 38 -3.470 19.940 4.892 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.209 18.249 6.336 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.892 20.373 6.126 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.742 19.353 7.029 1.00 0.00 C ATOM 526 CE3 TRP A 38 -2.962 17.067 7.041 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -4.030 19.309 8.392 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -3.249 17.025 8.393 1.00 0.00 C ATOM 529 CH2 TRP A 38 -3.779 18.140 9.055 1.00 0.00 C ATOM 0 H TRP A 38 -0.314 18.965 3.811 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.259 16.696 5.185 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.350 18.457 2.975 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.257 17.078 3.564 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.478 20.536 3.992 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.257 21.302 6.336 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.554 16.202 6.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.437 20.167 8.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.061 16.118 8.948 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.994 18.075 10.111 1.00 0.00 H new ATOM 540 N CYS A 39 -1.638 14.826 3.456 1.00 0.00 N ATOM 541 CA CYS A 39 -1.520 13.665 2.587 1.00 0.00 C ATOM 542 C CYS A 39 -2.445 12.541 3.042 1.00 0.00 C ATOM 543 O CYS A 39 -2.945 12.550 4.166 1.00 0.00 O ATOM 544 CB CYS A 39 -0.071 13.177 2.557 1.00 0.00 C ATOM 545 SG CYS A 39 0.561 12.631 4.175 1.00 0.00 S ATOM 0 H CYS A 39 -2.248 14.692 4.262 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.818 13.961 1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.009 12.351 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.564 13.980 2.183 1.00 0.00 H new ATOM 550 N GLY A 40 -2.658 11.568 2.160 1.00 0.00 N ATOM 551 CA GLY A 40 -3.512 10.442 2.487 1.00 0.00 C ATOM 552 C GLY A 40 -2.719 9.165 2.691 1.00 0.00 C ATOM 553 O GLY A 40 -2.084 8.667 1.761 1.00 0.00 O ATOM 0 H GLY A 40 -2.253 11.540 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.076 10.666 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.238 10.294 1.687 1.00 0.00 H new ATOM 557 N ILE A 41 -2.749 8.636 3.910 1.00 0.00 N ATOM 558 CA ILE A 41 -2.020 7.415 4.230 1.00 0.00 C ATOM 559 C ILE A 41 -2.557 6.229 3.433 1.00 0.00 C ATOM 560 O ILE A 41 -3.688 5.787 3.634 1.00 0.00 O ATOM 561 CB ILE A 41 -2.079 7.107 5.746 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.177 8.076 6.510 1.00 0.00 C ATOM 563 CG2 ILE A 41 -1.672 5.668 6.035 1.00 0.00 C ATOM 564 CD1 ILE A 41 -1.918 9.262 7.080 1.00 0.00 C ATOM 0 H ILE A 41 -3.270 9.034 4.692 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.979 7.577 3.952 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.109 7.236 6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.685 7.540 7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.393 8.433 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.724 5.484 7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.348 4.988 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.652 5.501 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.218 9.908 7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.387 9.821 6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.684 8.914 7.772 1.00 0.00 H new ATOM 576 N ASP A 42 -1.726 5.719 2.529 1.00 0.00 N ATOM 577 CA ASP A 42 -2.097 4.581 1.692 1.00 0.00 C ATOM 578 C ASP A 42 -0.999 3.526 1.709 1.00 0.00 C ATOM 579 O ASP A 42 -0.001 3.648 1.000 1.00 0.00 O ATOM 580 CB ASP A 42 -2.351 5.019 0.245 1.00 0.00 C ATOM 581 CG ASP A 42 -2.310 6.526 0.059 1.00 0.00 C ATOM 582 OD1 ASP A 42 -1.202 7.069 -0.139 1.00 0.00 O ATOM 583 OD2 ASP A 42 -3.383 7.162 0.112 1.00 0.00 O ATOM 0 H ASP A 42 -0.787 6.077 2.356 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.015 4.159 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.605 4.559 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.324 4.646 -0.075 1.00 0.00 H new ATOM 588 N TYR A 43 -1.187 2.487 2.514 1.00 0.00 N ATOM 589 CA TYR A 43 -0.200 1.418 2.604 1.00 0.00 C ATOM 590 C TYR A 43 -0.328 0.442 1.435 1.00 0.00 C ATOM 591 O TYR A 43 0.431 -0.524 1.343 1.00 0.00 O ATOM 592 CB TYR A 43 -0.329 0.657 3.928 1.00 0.00 C ATOM 593 CG TYR A 43 -0.944 1.459 5.053 1.00 0.00 C ATOM 594 CD1 TYR A 43 -2.311 1.422 5.292 1.00 0.00 C ATOM 595 CD2 TYR A 43 -0.154 2.250 5.876 1.00 0.00 C ATOM 596 CE1 TYR A 43 -2.875 2.151 6.322 1.00 0.00 C ATOM 597 CE2 TYR A 43 -0.710 2.982 6.908 1.00 0.00 C ATOM 598 CZ TYR A 43 -2.071 2.929 7.127 1.00 0.00 C ATOM 599 OH TYR A 43 -2.627 3.657 8.154 1.00 0.00 O ATOM 0 H TYR A 43 -2.006 2.362 3.109 1.00 0.00 H new ATOM 0 HA TYR A 43 0.784 1.886 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.932 -0.236 3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.660 0.320 4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.944 0.814 4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.912 2.294 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.940 2.111 6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.082 3.593 7.540 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.920 3.954 8.765 1.00 0.00 H new ATOM 703 N ASN A 51 10.385 -2.698 -0.328 1.00 0.00 N ATOM 704 CA ASN A 51 9.922 -3.099 0.998 1.00 0.00 C ATOM 705 C ASN A 51 9.676 -1.882 1.881 1.00 0.00 C ATOM 706 O ASN A 51 10.306 -1.718 2.926 1.00 0.00 O ATOM 707 CB ASN A 51 10.929 -4.042 1.664 1.00 0.00 C ATOM 708 CG ASN A 51 10.255 -5.137 2.466 1.00 0.00 C ATOM 709 OD1 ASN A 51 10.794 -6.347 2.384 1.00 0.00 O flip ATOM 710 ND2 ASN A 51 9.261 -4.899 3.153 1.00 0.00 N flip ATOM 0 HA ASN A 51 8.978 -3.630 0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.561 -4.493 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.583 -3.466 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.879 -3.954 3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.820 -5.647 3.688 1.00 0.00 H new ATOM 717 N GLU A 52 8.749 -1.030 1.454 1.00 0.00 N ATOM 718 CA GLU A 52 8.410 0.171 2.204 1.00 0.00 C ATOM 719 C GLU A 52 7.426 -0.153 3.322 1.00 0.00 C ATOM 720 O GLU A 52 7.434 0.483 4.376 1.00 0.00 O ATOM 721 CB GLU A 52 7.815 1.229 1.273 1.00 0.00 C ATOM 722 CG GLU A 52 8.833 1.857 0.336 1.00 0.00 C ATOM 723 CD GLU A 52 9.292 0.904 -0.749 1.00 0.00 C ATOM 724 OE1 GLU A 52 8.507 0.005 -1.122 1.00 0.00 O ATOM 725 OE2 GLU A 52 10.436 1.054 -1.227 1.00 0.00 O ATOM 0 H GLU A 52 8.219 -1.151 0.591 1.00 0.00 H new ATOM 0 HA GLU A 52 9.324 0.565 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.021 0.774 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.355 2.013 1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.398 2.744 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.697 2.188 0.913 1.00 0.00 H new ATOM 732 N SER A 53 6.579 -1.150 3.085 1.00 0.00 N ATOM 733 CA SER A 53 5.588 -1.563 4.070 1.00 0.00 C ATOM 734 C SER A 53 5.095 -2.978 3.787 1.00 0.00 C ATOM 735 O SER A 53 5.511 -3.612 2.818 1.00 0.00 O ATOM 736 CB SER A 53 4.408 -0.590 4.076 1.00 0.00 C ATOM 737 OG SER A 53 3.702 -0.652 5.302 1.00 0.00 O ATOM 0 H SER A 53 6.560 -1.687 2.218 1.00 0.00 H new ATOM 0 HA SER A 53 6.062 -1.554 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.769 0.425 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.734 -0.826 3.252 1.00 0.00 H new ATOM 0 HG SER A 53 2.954 -0.020 5.281 1.00 0.00 H new ATOM 743 N CYS A 54 4.201 -3.464 4.641 1.00 0.00 N ATOM 744 CA CYS A 54 3.640 -4.802 4.492 1.00 0.00 C ATOM 745 C CYS A 54 2.139 -4.730 4.233 1.00 0.00 C ATOM 746 O CYS A 54 1.505 -3.709 4.491 1.00 0.00 O ATOM 747 CB CYS A 54 3.909 -5.637 5.755 1.00 0.00 C ATOM 748 SG CYS A 54 2.711 -5.363 7.110 1.00 0.00 S ATOM 0 H CYS A 54 3.848 -2.949 5.447 1.00 0.00 H new ATOM 0 HA CYS A 54 4.121 -5.280 3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.900 -6.693 5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.911 -5.409 6.120 1.00 0.00 H new ATOM 753 N THR A 55 1.571 -5.828 3.759 1.00 0.00 N ATOM 754 CA THR A 55 0.142 -5.892 3.513 1.00 0.00 C ATOM 755 C THR A 55 -0.544 -6.391 4.771 1.00 0.00 C ATOM 756 O THR A 55 -0.070 -7.327 5.415 1.00 0.00 O ATOM 757 CB THR A 55 -0.182 -6.809 2.333 1.00 0.00 C ATOM 758 OG1 THR A 55 0.444 -6.342 1.150 1.00 0.00 O ATOM 759 CG2 THR A 55 -1.668 -6.914 2.058 1.00 0.00 C ATOM 0 H THR A 55 2.078 -6.685 3.538 1.00 0.00 H new ATOM 0 HA THR A 55 -0.219 -4.896 3.257 1.00 0.00 H new ATOM 0 HB THR A 55 0.193 -7.793 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.978 -7.063 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.835 -7.578 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.173 -7.314 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.066 -5.926 1.829 1.00 0.00 H new ATOM 767 N GLY A 56 -1.637 -5.750 5.138 1.00 0.00 N ATOM 768 CA GLY A 56 -2.336 -6.137 6.341 1.00 0.00 C ATOM 769 C GLY A 56 -2.185 -5.103 7.436 1.00 0.00 C ATOM 770 O GLY A 56 -2.612 -5.318 8.569 1.00 0.00 O ATOM 0 H GLY A 56 -2.053 -4.971 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.393 -6.278 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.954 -7.096 6.691 1.00 0.00 H new ATOM 774 N ASN A 57 -1.598 -3.960 7.100 1.00 0.00 N ATOM 775 CA ASN A 57 -1.427 -2.902 8.089 1.00 0.00 C ATOM 776 C ASN A 57 -2.747 -2.168 8.300 1.00 0.00 C ATOM 777 O ASN A 57 -2.823 -1.207 9.066 1.00 0.00 O ATOM 778 CB ASN A 57 -0.335 -1.911 7.669 1.00 0.00 C ATOM 779 CG ASN A 57 -0.255 -1.712 6.167 1.00 0.00 C ATOM 780 OD1 ASN A 57 -1.271 -1.713 5.473 1.00 0.00 O ATOM 781 ND2 ASN A 57 0.960 -1.542 5.660 1.00 0.00 N ATOM 0 H ASN A 57 -1.239 -3.744 6.170 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.116 -3.365 9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.522 -0.950 8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.629 -2.266 8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.079 -1.405 4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.774 -1.548 6.274 1.00 0.00 H new ATOM 788 N GLY A 58 -3.795 -2.658 7.638 1.00 0.00 N ATOM 789 CA GLY A 58 -5.110 -2.079 7.782 1.00 0.00 C ATOM 790 C GLY A 58 -6.156 -3.146 8.053 1.00 0.00 C ATOM 791 O GLY A 58 -7.355 -2.897 7.929 1.00 0.00 O ATOM 0 H GLY A 58 -3.749 -3.453 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.104 -1.357 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.371 -1.533 6.875 1.00 0.00 H new ATOM 795 N SER A 59 -5.696 -4.348 8.419 1.00 0.00 N ATOM 796 CA SER A 59 -6.602 -5.459 8.697 1.00 0.00 C ATOM 797 C SER A 59 -5.932 -6.548 9.542 1.00 0.00 C ATOM 798 O SER A 59 -6.346 -6.804 10.674 1.00 0.00 O ATOM 799 CB SER A 59 -7.112 -6.063 7.387 1.00 0.00 C ATOM 800 OG SER A 59 -8.141 -7.007 7.627 1.00 0.00 O ATOM 0 H SER A 59 -4.707 -4.572 8.528 1.00 0.00 H new ATOM 0 HA SER A 59 -7.440 -5.061 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.485 -5.270 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.288 -6.544 6.860 1.00 0.00 H new ATOM 0 HG SER A 59 -7.817 -7.906 7.410 1.00 0.00 H new ATOM 806 N TYR A 60 -4.912 -7.204 8.985 1.00 0.00 N ATOM 807 CA TYR A 60 -4.213 -8.280 9.696 1.00 0.00 C ATOM 808 C TYR A 60 -2.694 -8.091 9.663 1.00 0.00 C ATOM 809 O TYR A 60 -2.167 -7.374 8.824 1.00 0.00 O ATOM 810 CB TYR A 60 -4.575 -9.651 9.101 1.00 0.00 C ATOM 811 CG TYR A 60 -5.671 -9.613 8.056 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.877 -10.270 8.263 1.00 0.00 C ATOM 813 CD2 TYR A 60 -5.497 -8.923 6.863 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.878 -10.242 7.310 1.00 0.00 C ATOM 815 CE2 TYR A 60 -6.493 -8.889 5.906 1.00 0.00 C ATOM 816 CZ TYR A 60 -7.681 -9.550 6.134 1.00 0.00 C ATOM 817 OH TYR A 60 -8.675 -9.520 5.183 1.00 0.00 O ATOM 0 H TYR A 60 -4.552 -7.012 8.050 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.539 -8.240 10.735 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.681 -10.087 8.656 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.884 -10.314 9.909 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.035 -10.812 9.184 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.567 -8.404 6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.809 -10.760 7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.342 -8.347 4.984 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.377 -8.989 4.415 1.00 0.00 H new ATOM 827 N PRO A 61 -1.967 -8.754 10.577 1.00 0.00 N ATOM 828 CA PRO A 61 -0.499 -8.664 10.652 1.00 0.00 C ATOM 829 C PRO A 61 0.183 -9.026 9.336 1.00 0.00 C ATOM 830 O PRO A 61 -0.439 -9.599 8.442 1.00 0.00 O ATOM 831 CB PRO A 61 -0.132 -9.688 11.737 1.00 0.00 C ATOM 832 CG PRO A 61 -1.335 -10.558 11.869 1.00 0.00 C ATOM 833 CD PRO A 61 -2.504 -9.658 11.603 1.00 0.00 C ATOM 0 HA PRO A 61 -0.171 -7.648 10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.745 -10.268 11.451 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.105 -9.196 12.680 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.304 -11.383 11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.395 -10.998 12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.372 -10.212 11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.816 -9.120 12.498 1.00 0.00 H new ATOM 841 N CYS A 62 1.473 -8.703 9.230 1.00 0.00 N ATOM 842 CA CYS A 62 2.239 -9.016 8.027 1.00 0.00 C ATOM 843 C CYS A 62 2.589 -10.499 8.011 1.00 0.00 C ATOM 844 O CYS A 62 2.604 -11.151 9.057 1.00 0.00 O ATOM 845 CB CYS A 62 3.524 -8.181 7.947 1.00 0.00 C ATOM 846 SG CYS A 62 3.397 -6.501 8.648 1.00 0.00 S ATOM 0 H CYS A 62 2.005 -8.228 9.959 1.00 0.00 H new ATOM 0 HA CYS A 62 1.623 -8.772 7.162 1.00 0.00 H new ATOM 0 HB2 CYS A 62 4.320 -8.716 8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.823 -8.101 6.902 1.00 0.00 H new ATOM 851 N CYS A 63 2.865 -11.034 6.829 1.00 0.00 N ATOM 852 CA CYS A 63 3.204 -12.444 6.698 1.00 0.00 C ATOM 853 C CYS A 63 4.715 -12.643 6.696 1.00 0.00 C ATOM 854 O CYS A 63 5.282 -13.143 7.666 1.00 0.00 O ATOM 855 CB CYS A 63 2.593 -13.016 5.413 1.00 0.00 C ATOM 856 SG CYS A 63 1.218 -14.194 5.663 1.00 0.00 S ATOM 0 H CYS A 63 2.861 -10.515 5.951 1.00 0.00 H new ATOM 0 HA CYS A 63 2.792 -12.976 7.555 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.235 -12.189 4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.379 -13.515 4.846 1.00 0.00 H new ATOM 861 N ASN A 64 5.343 -12.250 5.587 1.00 0.00 N ATOM 862 CA ASN A 64 6.796 -12.365 5.385 1.00 0.00 C ATOM 863 C ASN A 64 7.092 -13.240 4.173 1.00 0.00 C ATOM 864 O ASN A 64 8.165 -13.152 3.578 1.00 0.00 O ATOM 865 CB ASN A 64 7.512 -12.933 6.618 1.00 0.00 C ATOM 866 CG ASN A 64 9.017 -12.990 6.437 1.00 0.00 C ATOM 867 OD1 ASN A 64 9.720 -12.007 6.671 1.00 0.00 O ATOM 868 ND2 ASN A 64 9.519 -14.147 6.019 1.00 0.00 N ATOM 0 H ASN A 64 4.855 -11.837 4.792 1.00 0.00 H new ATOM 0 HA ASN A 64 7.176 -11.357 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.276 -12.319 7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.135 -13.935 6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.525 -14.246 5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.899 -14.936 5.837 1.00 0.00 H new ATOM 875 N THR A 65 6.129 -14.083 3.810 1.00 0.00 N ATOM 876 CA THR A 65 6.279 -14.971 2.668 1.00 0.00 C ATOM 877 C THR A 65 5.890 -14.259 1.379 1.00 0.00 C ATOM 878 O THR A 65 4.955 -13.459 1.361 1.00 0.00 O ATOM 879 CB THR A 65 5.406 -16.215 2.851 1.00 0.00 C ATOM 880 OG1 THR A 65 5.694 -17.180 1.855 1.00 0.00 O ATOM 881 CG2 THR A 65 3.920 -15.918 2.790 1.00 0.00 C ATOM 0 H THR A 65 5.235 -14.167 4.294 1.00 0.00 H new ATOM 0 HA THR A 65 7.325 -15.270 2.602 1.00 0.00 H new ATOM 0 HB THR A 65 5.644 -16.592 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.127 -17.968 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.358 -16.842 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.657 -15.213 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.675 -15.485 1.820 1.00 0.00 H new ATOM 889 N CYS A 66 6.595 -14.568 0.297 1.00 0.00 N ATOM 890 CA CYS A 66 6.297 -13.967 -0.994 1.00 0.00 C ATOM 891 C CYS A 66 5.408 -14.899 -1.807 1.00 0.00 C ATOM 892 O CYS A 66 5.519 -14.981 -3.031 1.00 0.00 O ATOM 893 CB CYS A 66 7.584 -13.658 -1.762 1.00 0.00 C ATOM 894 SG CYS A 66 8.822 -12.725 -0.805 1.00 0.00 S ATOM 0 H CYS A 66 7.373 -15.228 0.289 1.00 0.00 H new ATOM 0 HA CYS A 66 5.770 -13.028 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.030 -14.596 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 66 7.331 -13.091 -2.658 1.00 0.00 H new ATOM 899 N GLN A 67 4.524 -15.599 -1.106 1.00 0.00 N ATOM 900 CA GLN A 67 3.601 -16.533 -1.729 1.00 0.00 C ATOM 901 C GLN A 67 2.166 -16.103 -1.442 1.00 0.00 C ATOM 902 O GLN A 67 1.584 -16.476 -0.427 1.00 0.00 O ATOM 903 CB GLN A 67 3.874 -17.956 -1.210 1.00 0.00 C ATOM 904 CG GLN A 67 2.660 -18.879 -1.180 1.00 0.00 C ATOM 905 CD GLN A 67 2.220 -19.217 0.234 1.00 0.00 C ATOM 906 OE1 GLN A 67 2.307 -18.243 1.135 1.00 0.00 O flip ATOM 907 NE2 GLN A 67 1.806 -20.343 0.514 1.00 0.00 N flip ATOM 0 H GLN A 67 4.429 -15.534 -0.093 1.00 0.00 H new ATOM 0 HA GLN A 67 3.746 -16.533 -2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.642 -18.412 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.282 -17.886 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.834 -18.405 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.895 -19.800 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.755 -21.062 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.514 -20.556 1.468 1.00 0.00 H new ATOM 916 N ALA A 68 1.608 -15.309 -2.342 1.00 0.00 N ATOM 917 CA ALA A 68 0.251 -14.819 -2.188 1.00 0.00 C ATOM 918 C ALA A 68 -0.757 -15.837 -2.684 1.00 0.00 C ATOM 919 O ALA A 68 -0.863 -16.096 -3.884 1.00 0.00 O ATOM 920 CB ALA A 68 0.083 -13.502 -2.921 1.00 0.00 C ATOM 0 H ALA A 68 2.078 -14.990 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 68 0.066 -14.656 -1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.939 -13.145 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.776 -12.767 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.292 -13.646 -3.981 1.00 0.00 H new ATOM 926 N THR A 69 -1.494 -16.411 -1.751 1.00 0.00 N ATOM 927 CA THR A 69 -2.503 -17.409 -2.083 1.00 0.00 C ATOM 928 C THR A 69 -3.838 -16.742 -2.408 1.00 0.00 C ATOM 929 O THR A 69 -4.680 -17.326 -3.089 1.00 0.00 O ATOM 930 CB THR A 69 -2.672 -18.420 -0.939 1.00 0.00 C ATOM 931 OG1 THR A 69 -4.017 -18.856 -0.837 1.00 0.00 O ATOM 932 CG2 THR A 69 -2.264 -17.876 0.410 1.00 0.00 C ATOM 0 H THR A 69 -1.415 -16.205 -0.755 1.00 0.00 H new ATOM 0 HA THR A 69 -2.163 -17.948 -2.967 1.00 0.00 H new ATOM 0 HB THR A 69 -2.010 -19.247 -1.195 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.097 -19.500 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.410 -18.643 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.214 -17.586 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.874 -17.006 0.651 1.00 0.00 H new ATOM 940 N TYR A 70 -4.027 -15.517 -1.924 1.00 0.00 N ATOM 941 CA TYR A 70 -5.260 -14.788 -2.179 1.00 0.00 C ATOM 942 C TYR A 70 -5.014 -13.285 -2.151 1.00 0.00 C ATOM 943 O TYR A 70 -4.294 -12.781 -1.293 1.00 0.00 O ATOM 944 CB TYR A 70 -6.335 -15.187 -1.157 1.00 0.00 C ATOM 945 CG TYR A 70 -6.449 -14.264 0.041 1.00 0.00 C ATOM 946 CD1 TYR A 70 -6.960 -12.979 -0.094 1.00 0.00 C ATOM 947 CD2 TYR A 70 -6.052 -14.681 1.305 1.00 0.00 C ATOM 948 CE1 TYR A 70 -7.072 -12.137 0.994 1.00 0.00 C ATOM 949 CE2 TYR A 70 -6.161 -13.844 2.399 1.00 0.00 C ATOM 950 CZ TYR A 70 -6.672 -12.574 2.239 1.00 0.00 C ATOM 951 OH TYR A 70 -6.782 -11.737 3.326 1.00 0.00 O ATOM 0 H TYR A 70 -3.345 -15.013 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.618 -15.050 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.300 -15.224 -1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.122 -16.195 -0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.275 -12.633 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.652 -15.676 1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.471 -11.141 0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.847 -14.183 3.375 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.122 -11.016 3.252 1.00 0.00 H new ATOM 961 N THR A 71 -5.629 -12.573 -3.085 1.00 0.00 N ATOM 962 CA THR A 71 -5.489 -11.126 -3.158 1.00 0.00 C ATOM 963 C THR A 71 -6.842 -10.456 -2.977 1.00 0.00 C ATOM 964 O THR A 71 -7.842 -10.886 -3.550 1.00 0.00 O ATOM 965 CB THR A 71 -4.868 -10.709 -4.494 1.00 0.00 C ATOM 966 OG1 THR A 71 -3.522 -11.154 -4.582 1.00 0.00 O ATOM 967 CG2 THR A 71 -4.885 -9.209 -4.717 1.00 0.00 C ATOM 0 H THR A 71 -6.231 -12.975 -3.804 1.00 0.00 H new ATOM 0 HA THR A 71 -4.826 -10.805 -2.355 1.00 0.00 H new ATOM 0 HB THR A 71 -5.483 -11.176 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.926 -10.380 -4.660 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.431 -8.979 -5.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.915 -8.851 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.322 -8.717 -3.924 1.00 0.00 H new ATOM 975 N ASP A 72 -6.865 -9.398 -2.178 1.00 0.00 N ATOM 976 CA ASP A 72 -8.094 -8.668 -1.923 1.00 0.00 C ATOM 977 C ASP A 72 -8.011 -7.257 -2.488 1.00 0.00 C ATOM 978 O ASP A 72 -7.118 -6.945 -3.276 1.00 0.00 O ATOM 979 CB ASP A 72 -8.384 -8.619 -0.420 1.00 0.00 C ATOM 980 CG ASP A 72 -9.834 -8.923 -0.102 1.00 0.00 C ATOM 981 OD1 ASP A 72 -10.111 -9.379 1.028 1.00 0.00 O ATOM 982 OD2 ASP A 72 -10.694 -8.706 -0.981 1.00 0.00 O ATOM 0 H ASP A 72 -6.045 -9.028 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.910 -9.191 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.744 -9.336 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.130 -7.631 -0.036 1.00 0.00 H new ATOM 987 N GLY A 73 -8.947 -6.409 -2.083 1.00 0.00 N ATOM 988 CA GLY A 73 -8.962 -5.041 -2.562 1.00 0.00 C ATOM 989 C GLY A 73 -7.905 -4.168 -1.908 1.00 0.00 C ATOM 990 O GLY A 73 -7.920 -2.949 -2.076 1.00 0.00 O ATOM 0 H GLY A 73 -9.696 -6.644 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.809 -5.039 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.946 -4.609 -2.378 1.00 0.00 H new ATOM 994 N ASP A 74 -6.980 -4.778 -1.164 1.00 0.00 N ATOM 995 CA ASP A 74 -5.926 -4.016 -0.503 1.00 0.00 C ATOM 996 C ASP A 74 -4.553 -4.633 -0.758 1.00 0.00 C ATOM 997 O ASP A 74 -3.575 -4.280 -0.101 1.00 0.00 O ATOM 998 CB ASP A 74 -6.192 -3.931 1.000 1.00 0.00 C ATOM 999 CG ASP A 74 -5.202 -3.030 1.713 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -5.205 -1.812 1.440 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -4.425 -3.544 2.544 1.00 0.00 O ATOM 0 H ASP A 74 -6.941 -5.785 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.929 -3.010 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.203 -3.559 1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.145 -4.931 1.432 1.00 0.00 H new ATOM 1006 N GLY A 75 -4.483 -5.554 -1.717 1.00 0.00 N ATOM 1007 CA GLY A 75 -3.221 -6.195 -2.033 1.00 0.00 C ATOM 1008 C GLY A 75 -3.303 -7.703 -1.940 1.00 0.00 C ATOM 1009 O GLY A 75 -4.384 -8.263 -1.753 1.00 0.00 O ATOM 0 H GLY A 75 -5.276 -5.866 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.914 -5.912 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.451 -5.833 -1.351 1.00 0.00 H new ATOM 1013 N ASP A 76 -2.160 -8.362 -2.071 1.00 0.00 N ATOM 1014 CA ASP A 76 -2.108 -9.816 -1.998 1.00 0.00 C ATOM 1015 C ASP A 76 -2.164 -10.280 -0.549 1.00 0.00 C ATOM 1016 O ASP A 76 -2.087 -9.470 0.374 1.00 0.00 O ATOM 1017 CB ASP A 76 -0.840 -10.345 -2.674 1.00 0.00 C ATOM 1018 CG ASP A 76 -0.393 -9.485 -3.842 1.00 0.00 C ATOM 1019 OD1 ASP A 76 -1.089 -9.483 -4.879 1.00 0.00 O ATOM 1020 OD2 ASP A 76 0.653 -8.814 -3.718 1.00 0.00 O ATOM 0 H ASP A 76 -1.257 -7.914 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.974 -10.215 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.037 -10.397 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.018 -11.362 -3.025 1.00 0.00 H new ATOM 1025 N TRP A 77 -2.316 -11.585 -0.352 1.00 0.00 N ATOM 1026 CA TRP A 77 -2.402 -12.144 0.990 1.00 0.00 C ATOM 1027 C TRP A 77 -1.980 -13.607 1.015 1.00 0.00 C ATOM 1028 O TRP A 77 -2.153 -14.334 0.036 1.00 0.00 O ATOM 1029 CB TRP A 77 -3.827 -11.998 1.524 1.00 0.00 C ATOM 1030 CG TRP A 77 -4.343 -10.592 1.450 1.00 0.00 C ATOM 1031 CD1 TRP A 77 -5.052 -10.024 0.426 1.00 0.00 C ATOM 1032 CD2 TRP A 77 -4.183 -9.570 2.438 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -5.345 -8.718 0.724 1.00 0.00 N ATOM 1034 CE2 TRP A 77 -4.822 -8.414 1.952 1.00 0.00 C ATOM 1035 CE3 TRP A 77 -3.563 -9.519 3.689 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 -4.859 -7.226 2.670 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 -3.600 -8.336 4.402 1.00 0.00 C ATOM 1038 CH2 TRP A 77 -4.245 -7.203 3.890 1.00 0.00 C ATOM 0 H TRP A 77 -2.382 -12.273 -1.102 1.00 0.00 H new ATOM 0 HA TRP A 77 -1.716 -11.590 1.630 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.490 -12.652 0.957 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.856 -12.335 2.560 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.339 -10.531 -0.484 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.868 -8.077 0.127 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -3.064 -10.388 4.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -5.356 -6.351 2.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -3.124 -8.284 5.370 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -4.257 -6.293 4.471 1.00 0.00 H new ATOM 1049 N ALA A 78 -1.422 -14.028 2.145 1.00 0.00 N ATOM 1050 CA ALA A 78 -0.970 -15.401 2.310 1.00 0.00 C ATOM 1051 C ALA A 78 -1.156 -15.872 3.748 1.00 0.00 C ATOM 1052 O ALA A 78 -1.378 -15.068 4.652 1.00 0.00 O ATOM 1053 CB ALA A 78 0.485 -15.532 1.896 1.00 0.00 C ATOM 0 H ALA A 78 -1.272 -13.435 2.961 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.578 -16.036 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.808 -16.565 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.593 -15.246 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.100 -14.879 2.516 1.00 0.00 H new ATOM 1059 N PHE A 79 -1.057 -17.181 3.950 1.00 0.00 N ATOM 1060 CA PHE A 79 -1.208 -17.760 5.278 1.00 0.00 C ATOM 1061 C PHE A 79 0.152 -18.129 5.859 1.00 0.00 C ATOM 1062 O PHE A 79 0.777 -19.100 5.433 1.00 0.00 O ATOM 1063 CB PHE A 79 -2.106 -18.997 5.221 1.00 0.00 C ATOM 1064 CG PHE A 79 -2.735 -19.345 6.540 1.00 0.00 C ATOM 1065 CD1 PHE A 79 -2.726 -20.651 7.004 1.00 0.00 C ATOM 1066 CD2 PHE A 79 -3.335 -18.366 7.316 1.00 0.00 C ATOM 1067 CE1 PHE A 79 -3.304 -20.975 8.216 1.00 0.00 C ATOM 1068 CE2 PHE A 79 -3.914 -18.683 8.529 1.00 0.00 C ATOM 1069 CZ PHE A 79 -3.899 -19.990 8.980 1.00 0.00 C ATOM 0 H PHE A 79 -0.873 -17.860 3.211 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.674 -17.016 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.893 -18.831 4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.518 -19.846 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.261 -21.425 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.350 -17.344 6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.291 -21.997 8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.378 -17.911 9.125 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.352 -20.240 9.928 1.00 0.00 H new ATOM 1079 N GLU A 80 0.607 -17.347 6.831 1.00 0.00 N ATOM 1080 CA GLU A 80 1.896 -17.591 7.467 1.00 0.00 C ATOM 1081 C GLU A 80 1.732 -17.801 8.967 1.00 0.00 C ATOM 1082 O GLU A 80 0.867 -17.194 9.597 1.00 0.00 O ATOM 1083 CB GLU A 80 2.848 -16.424 7.209 1.00 0.00 C ATOM 1084 CG GLU A 80 4.265 -16.692 7.671 1.00 0.00 C ATOM 1085 CD GLU A 80 4.770 -15.648 8.649 1.00 0.00 C ATOM 1086 OE1 GLU A 80 3.938 -15.053 9.364 1.00 0.00 O ATOM 1087 OE2 GLU A 80 5.999 -15.428 8.698 1.00 0.00 O ATOM 0 H GLU A 80 0.103 -16.539 7.196 1.00 0.00 H new ATOM 0 HA GLU A 80 2.318 -18.498 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.857 -16.201 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.470 -15.537 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.310 -17.675 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.926 -16.722 6.805 1.00 0.00 H new ATOM 1094 N ASN A 81 2.565 -18.670 9.532 1.00 0.00 N ATOM 1095 CA ASN A 81 2.510 -18.966 10.961 1.00 0.00 C ATOM 1096 C ASN A 81 1.079 -19.277 11.395 1.00 0.00 C ATOM 1097 O ASN A 81 0.714 -19.078 12.553 1.00 0.00 O ATOM 1098 CB ASN A 81 3.061 -17.788 11.769 1.00 0.00 C ATOM 1099 CG ASN A 81 4.397 -18.105 12.413 1.00 0.00 C ATOM 1100 OD1 ASN A 81 4.564 -19.150 13.041 1.00 0.00 O ATOM 1101 ND2 ASN A 81 5.356 -17.200 12.260 1.00 0.00 N ATOM 0 H ASN A 81 3.286 -19.182 9.023 1.00 0.00 H new ATOM 0 HA ASN A 81 3.127 -19.844 11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.172 -16.923 11.116 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.344 -17.514 12.542 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.276 -17.357 12.671 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.173 -16.347 11.731 1.00 0.00 H new ATOM 1108 N GLY A 82 0.277 -19.764 10.454 1.00 0.00 N ATOM 1109 CA GLY A 82 -1.101 -20.096 10.753 1.00 0.00 C ATOM 1110 C GLY A 82 -1.965 -18.869 10.976 1.00 0.00 C ATOM 1111 O GLY A 82 -3.002 -18.949 11.633 1.00 0.00 O ATOM 0 H GLY A 82 0.559 -19.934 9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.515 -20.682 9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.134 -20.725 11.643 1.00 0.00 H new ATOM 1115 N ASN A 83 -1.545 -17.727 10.431 1.00 0.00 N ATOM 1116 CA ASN A 83 -2.311 -16.492 10.590 1.00 0.00 C ATOM 1117 C ASN A 83 -2.499 -15.779 9.254 1.00 0.00 C ATOM 1118 O ASN A 83 -1.563 -15.657 8.464 1.00 0.00 O ATOM 1119 CB ASN A 83 -1.626 -15.561 11.593 1.00 0.00 C ATOM 1120 CG ASN A 83 -0.196 -15.238 11.211 1.00 0.00 C ATOM 1121 OD1 ASN A 83 0.754 -15.918 11.842 1.00 0.00 O flip ATOM 1122 ND2 ASN A 83 0.052 -14.386 10.360 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.690 -17.632 9.883 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.296 -16.760 10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.195 -14.635 11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.638 -16.025 12.579 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.710 -13.888 9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.020 -14.178 10.114 1.00 0.00 H new ATOM 1129 N TRP A 84 -3.721 -15.309 9.011 1.00 0.00 N ATOM 1130 CA TRP A 84 -4.045 -14.606 7.774 1.00 0.00 C ATOM 1131 C TRP A 84 -3.367 -13.241 7.729 1.00 0.00 C ATOM 1132 O TRP A 84 -3.891 -12.256 8.248 1.00 0.00 O ATOM 1133 CB TRP A 84 -5.559 -14.440 7.638 1.00 0.00 C ATOM 1134 CG TRP A 84 -6.284 -15.737 7.444 1.00 0.00 C ATOM 1135 CD1 TRP A 84 -7.028 -16.408 8.371 1.00 0.00 C ATOM 1136 CD2 TRP A 84 -6.333 -16.521 6.245 1.00 0.00 C ATOM 1137 NE1 TRP A 84 -7.536 -17.561 7.825 1.00 0.00 N ATOM 1138 CE2 TRP A 84 -7.124 -17.653 6.520 1.00 0.00 C ATOM 1139 CE3 TRP A 84 -5.786 -16.375 4.968 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 -7.381 -18.631 5.564 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 -6.041 -17.348 4.019 1.00 0.00 C ATOM 1142 CH2 TRP A 84 -6.833 -18.464 4.322 1.00 0.00 C ATOM 0 H TRP A 84 -4.504 -15.403 9.657 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.675 -15.203 6.940 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -5.945 -13.946 8.530 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.771 -13.784 6.794 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.193 -16.080 9.387 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.124 -18.238 8.311 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -5.175 -15.518 4.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -7.992 -19.491 5.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -5.623 -17.246 3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.014 -19.207 3.559 1.00 0.00 H new ATOM 1153 N CYS A 85 -2.199 -13.199 7.103 1.00 0.00 N ATOM 1154 CA CYS A 85 -1.432 -11.964 6.980 1.00 0.00 C ATOM 1155 C CYS A 85 -1.352 -11.516 5.524 1.00 0.00 C ATOM 1156 O CYS A 85 -1.865 -12.185 4.628 1.00 0.00 O ATOM 1157 CB CYS A 85 -0.020 -12.147 7.540 1.00 0.00 C ATOM 1158 SG CYS A 85 0.569 -13.870 7.562 1.00 0.00 S ATOM 0 H CYS A 85 -1.759 -14.011 6.670 1.00 0.00 H new ATOM 0 HA CYS A 85 -1.946 -11.195 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.672 -11.548 6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.007 -11.754 8.556 1.00 0.00 H new ATOM 1163 N GLY A 86 -0.700 -10.380 5.297 1.00 0.00 N ATOM 1164 CA GLY A 86 -0.558 -9.861 3.949 1.00 0.00 C ATOM 1165 C GLY A 86 0.857 -10.003 3.422 1.00 0.00 C ATOM 1166 O GLY A 86 1.807 -10.119 4.196 1.00 0.00 O ATOM 0 H GLY A 86 -0.267 -9.809 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.245 -10.387 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.844 -8.809 3.935 1.00 0.00 H new ATOM 1170 N ILE A 87 0.998 -9.997 2.101 1.00 0.00 N ATOM 1171 CA ILE A 87 2.305 -10.131 1.469 1.00 0.00 C ATOM 1172 C ILE A 87 3.060 -8.802 1.477 1.00 0.00 C ATOM 1173 O ILE A 87 2.497 -7.751 1.173 1.00 0.00 O ATOM 1174 CB ILE A 87 2.166 -10.672 0.019 1.00 0.00 C ATOM 1175 CG1 ILE A 87 2.662 -12.118 -0.066 1.00 0.00 C ATOM 1176 CG2 ILE A 87 2.916 -9.803 -0.985 1.00 0.00 C ATOM 1177 CD1 ILE A 87 2.122 -13.020 1.020 1.00 0.00 C ATOM 0 H ILE A 87 0.222 -9.901 1.446 1.00 0.00 H new ATOM 0 HA ILE A 87 2.882 -10.851 2.049 1.00 0.00 H new ATOM 0 HB ILE A 87 1.107 -10.641 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.385 -12.530 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.751 -12.121 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.793 -10.216 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.516 -8.789 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.975 -9.782 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.521 -14.026 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.421 -12.635 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.034 -13.050 0.960 1.00 0.00 H new ATOM 1189 N LYS A 88 4.342 -8.862 1.829 1.00 0.00 N ATOM 1190 CA LYS A 88 5.186 -7.672 1.882 1.00 0.00 C ATOM 1191 C LYS A 88 5.268 -6.996 0.517 1.00 0.00 C ATOM 1192 O LYS A 88 5.272 -7.661 -0.518 1.00 0.00 O ATOM 1193 CB LYS A 88 6.591 -8.043 2.362 1.00 0.00 C ATOM 1194 CG LYS A 88 6.610 -8.735 3.715 1.00 0.00 C ATOM 1195 CD LYS A 88 5.892 -7.912 4.773 1.00 0.00 C ATOM 1196 CE LYS A 88 6.622 -7.955 6.107 1.00 0.00 C ATOM 1197 NZ LYS A 88 7.053 -9.336 6.460 1.00 0.00 N ATOM 0 H LYS A 88 4.820 -9.726 2.083 1.00 0.00 H new ATOM 0 HA LYS A 88 4.737 -6.971 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.058 -8.695 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.197 -7.139 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.137 -9.713 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.642 -8.905 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.809 -6.879 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.877 -8.288 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.494 -7.302 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.971 -7.567 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.280 -9.380 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.285 -10.004 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.895 -9.589 5.905 1.00 0.00 H new ATOM 1211 N ASN A 89 5.341 -5.668 0.528 1.00 0.00 N ATOM 1212 CA ASN A 89 5.433 -4.894 -0.705 1.00 0.00 C ATOM 1213 C ASN A 89 6.636 -5.335 -1.537 1.00 0.00 C ATOM 1214 O ASN A 89 6.679 -5.123 -2.748 1.00 0.00 O ATOM 1215 CB ASN A 89 5.542 -3.401 -0.381 1.00 0.00 C ATOM 1216 CG ASN A 89 4.222 -2.675 -0.533 1.00 0.00 C ATOM 1217 OD1 ASN A 89 3.266 -3.210 -1.094 1.00 0.00 O ATOM 1218 ND2 ASN A 89 4.163 -1.446 -0.032 1.00 0.00 N ATOM 0 H ASN A 89 5.338 -5.105 1.379 1.00 0.00 H new ATOM 0 HA ASN A 89 4.529 -5.071 -1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.904 -3.280 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.282 -2.943 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.300 -0.907 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.980 -1.042 0.425 1.00 0.00 H new ATOM 1225 N SER A 90 7.613 -5.946 -0.872 1.00 0.00 N ATOM 1226 CA SER A 90 8.822 -6.416 -1.536 1.00 0.00 C ATOM 1227 C SER A 90 8.587 -7.748 -2.247 1.00 0.00 C ATOM 1228 O SER A 90 9.330 -8.114 -3.159 1.00 0.00 O ATOM 1229 CB SER A 90 9.945 -6.568 -0.509 1.00 0.00 C ATOM 1230 OG SER A 90 10.979 -7.405 -0.996 1.00 0.00 O ATOM 0 H SER A 90 7.589 -6.127 0.131 1.00 0.00 H new ATOM 0 HA SER A 90 9.105 -5.679 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.353 -5.587 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.542 -6.984 0.414 1.00 0.00 H new ATOM 0 HG SER A 90 11.683 -7.483 -0.319 1.00 0.00 H new ATOM 1236 N CYS A 91 7.558 -8.471 -1.822 1.00 0.00 N ATOM 1237 CA CYS A 91 7.232 -9.763 -2.414 1.00 0.00 C ATOM 1238 C CYS A 91 6.264 -9.606 -3.582 1.00 0.00 C ATOM 1239 O CYS A 91 5.228 -10.268 -3.638 1.00 0.00 O ATOM 1240 CB CYS A 91 6.627 -10.689 -1.360 1.00 0.00 C ATOM 1241 SG CYS A 91 7.776 -11.167 -0.028 1.00 0.00 S ATOM 0 H CYS A 91 6.934 -8.184 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 91 8.156 -10.201 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.761 -10.198 -0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 91 6.265 -11.592 -1.852 1.00 0.00 H new