USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0978 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.95 X(o=-3,f=-2.9) USER MOD Single : A 52 SER OG : rot 58:sc= 0.0181 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 60 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.3 K(o=-3.3,f=-7.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0.00788 USER MOD Single : B 83 THR OG1 : rot -36:sc= 1.16 USER MOD Single : B 84 LYS NZ :NH3+ 143:sc= -1.14 (180deg=-3.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -12.986 -11.104 8.719 1.00 0.00 N ATOM 2 CA GLY A 16 -13.094 -9.789 8.027 1.00 0.00 C ATOM 3 C GLY A 16 -12.559 -9.832 6.608 1.00 0.00 C ATOM 4 O GLY A 16 -12.110 -10.878 6.139 1.00 0.00 O ATOM 0 HA2 GLY A 16 -14.138 -9.477 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.546 -9.037 8.595 1.00 0.00 H new ATOM 10 N ARG A 17 -12.608 -8.692 5.925 1.00 0.00 N ATOM 11 CA ARG A 17 -12.126 -8.600 4.551 1.00 0.00 C ATOM 12 C ARG A 17 -11.333 -7.314 4.343 1.00 0.00 C ATOM 13 O ARG A 17 -11.504 -6.617 3.343 1.00 0.00 O ATOM 14 CB ARG A 17 -13.294 -8.658 3.569 1.00 0.00 C ATOM 15 CG ARG A 17 -14.620 -8.280 4.198 1.00 0.00 C ATOM 16 CD ARG A 17 -15.706 -9.289 3.864 1.00 0.00 C ATOM 17 NE ARG A 17 -16.688 -9.411 4.939 1.00 0.00 N ATOM 18 CZ ARG A 17 -17.369 -10.524 5.195 1.00 0.00 C ATOM 19 NH1 ARG A 17 -17.177 -11.608 4.455 1.00 0.00 N ATOM 20 NH2 ARG A 17 -18.243 -10.554 6.192 1.00 0.00 N ATOM 0 H ARG A 17 -12.977 -7.819 6.301 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.468 -9.449 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.091 -7.988 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.367 -9.666 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.504 -8.214 5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.921 -7.292 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.210 -8.989 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.252 -10.262 3.676 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.861 -8.596 5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.506 -11.589 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.701 -12.460 4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.393 -9.723 6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.765 -11.408 6.387 1.00 0.00 H new ATOM 34 N VAL A 18 -10.465 -7.012 5.300 1.00 0.00 N ATOM 35 CA VAL A 18 -9.638 -5.809 5.231 1.00 0.00 C ATOM 36 C VAL A 18 -8.527 -5.970 4.199 1.00 0.00 C ATOM 37 O VAL A 18 -7.574 -6.720 4.412 1.00 0.00 O ATOM 38 CB VAL A 18 -9.002 -5.450 6.595 1.00 0.00 C ATOM 39 CG1 VAL A 18 -9.435 -4.060 7.033 1.00 0.00 C ATOM 40 CG2 VAL A 18 -9.352 -6.479 7.663 1.00 0.00 C ATOM 0 H VAL A 18 -10.314 -7.581 6.133 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.305 -4.999 4.938 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.919 -5.458 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.979 -3.823 7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.117 -3.329 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.520 -4.030 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.889 -6.195 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.434 -6.520 7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.984 -7.459 7.359 1.00 0.00 H new ATOM 50 N ARG A 19 -8.659 -5.265 3.080 1.00 0.00 N ATOM 51 CA ARG A 19 -7.666 -5.333 2.014 1.00 0.00 C ATOM 52 C ARG A 19 -7.640 -4.042 1.200 1.00 0.00 C ATOM 53 O ARG A 19 -7.870 -4.052 -0.009 1.00 0.00 O ATOM 54 CB ARG A 19 -7.956 -6.527 1.100 1.00 0.00 C ATOM 55 CG ARG A 19 -9.385 -6.570 0.586 1.00 0.00 C ATOM 56 CD ARG A 19 -9.504 -7.444 -0.653 1.00 0.00 C ATOM 57 NE ARG A 19 -10.889 -7.579 -1.097 1.00 0.00 N ATOM 58 CZ ARG A 19 -11.592 -8.703 -0.991 1.00 0.00 C ATOM 59 NH1 ARG A 19 -11.043 -9.787 -0.459 1.00 0.00 N ATOM 60 NH2 ARG A 19 -12.847 -8.743 -1.418 1.00 0.00 N ATOM 0 H ARG A 19 -9.443 -4.641 2.888 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.686 -5.462 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.274 -6.497 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.747 -7.448 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.043 -6.952 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.720 -5.559 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.906 -7.016 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.093 -8.431 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.343 -6.765 -1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.078 -9.761 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.586 -10.647 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.273 -7.912 -1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.386 -9.605 -1.337 1.00 0.00 H new ATOM 74 N TRP A 20 -7.363 -2.928 1.873 1.00 0.00 N ATOM 75 CA TRP A 20 -7.306 -1.624 1.224 1.00 0.00 C ATOM 76 C TRP A 20 -6.164 -0.799 1.792 1.00 0.00 C ATOM 77 O TRP A 20 -5.717 -1.038 2.911 1.00 0.00 O ATOM 78 CB TRP A 20 -8.627 -0.879 1.403 1.00 0.00 C ATOM 79 CG TRP A 20 -9.770 -1.578 0.752 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.452 -2.656 1.236 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.356 -1.255 -0.510 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.420 -3.037 0.336 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.380 -2.186 -0.744 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.108 -0.267 -1.466 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.152 -2.160 -1.902 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.878 -0.240 -2.611 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.889 -1.182 -2.820 1.00 0.00 C ATOM 0 H TRP A 20 -7.173 -2.905 2.875 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.133 -1.779 0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.834 -0.764 2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.534 0.124 0.986 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.261 -3.138 2.183 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.062 -3.821 0.451 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.327 0.463 -1.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.932 -2.888 -2.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.697 0.520 -3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.475 -1.136 -3.726 1.00 0.00 H new ATOM 98 N ALA A 21 -5.687 0.166 1.022 1.00 0.00 N ATOM 99 CA ALA A 21 -4.606 1.010 1.473 1.00 0.00 C ATOM 100 C ALA A 21 -5.015 2.471 1.406 1.00 0.00 C ATOM 101 O ALA A 21 -5.031 3.071 0.332 1.00 0.00 O ATOM 102 CB ALA A 21 -3.367 0.769 0.626 1.00 0.00 C ATOM 0 H ALA A 21 -6.033 0.379 0.087 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.376 0.762 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.558 1.411 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.065 -0.275 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.589 0.998 -0.416 1.00 0.00 H new ATOM 108 N ARG A 22 -5.318 3.051 2.560 1.00 0.00 N ATOM 109 CA ARG A 22 -5.691 4.452 2.608 1.00 0.00 C ATOM 110 C ARG A 22 -4.529 5.247 3.169 1.00 0.00 C ATOM 111 O ARG A 22 -4.200 5.151 4.352 1.00 0.00 O ATOM 112 CB ARG A 22 -6.961 4.662 3.443 1.00 0.00 C ATOM 113 CG ARG A 22 -7.097 6.065 4.021 1.00 0.00 C ATOM 114 CD ARG A 22 -7.987 6.079 5.253 1.00 0.00 C ATOM 115 NE ARG A 22 -8.747 7.321 5.360 1.00 0.00 N ATOM 116 CZ ARG A 22 -9.488 7.646 6.415 1.00 0.00 C ATOM 117 NH1 ARG A 22 -9.570 6.822 7.452 1.00 0.00 N ATOM 118 NH2 ARG A 22 -10.147 8.795 6.435 1.00 0.00 N ATOM 0 H ARG A 22 -5.312 2.577 3.463 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.915 4.800 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.831 4.450 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.970 3.941 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.111 6.450 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.511 6.732 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.675 5.234 5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.374 5.950 6.145 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.707 7.977 4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.064 5.937 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.139 7.074 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.086 9.432 5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.715 9.043 7.245 1.00 0.00 H new ATOM 132 N ALA A 23 -3.898 6.009 2.295 1.00 0.00 N ATOM 133 CA ALA A 23 -2.744 6.807 2.669 1.00 0.00 C ATOM 134 C ALA A 23 -3.131 8.021 3.498 1.00 0.00 C ATOM 135 O ALA A 23 -3.916 8.859 3.060 1.00 0.00 O ATOM 136 CB ALA A 23 -1.985 7.242 1.427 1.00 0.00 C ATOM 0 H ALA A 23 -4.167 6.093 1.315 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.101 6.181 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.122 7.840 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.648 6.362 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.640 7.837 0.790 1.00 0.00 H new ATOM 142 N LEU A 24 -2.545 8.117 4.686 1.00 0.00 N ATOM 143 CA LEU A 24 -2.785 9.243 5.576 1.00 0.00 C ATOM 144 C LEU A 24 -1.683 10.271 5.361 1.00 0.00 C ATOM 145 O LEU A 24 -1.829 11.452 5.676 1.00 0.00 O ATOM 146 CB LEU A 24 -2.808 8.784 7.036 1.00 0.00 C ATOM 147 CG LEU A 24 -3.107 7.296 7.245 1.00 0.00 C ATOM 148 CD1 LEU A 24 -2.429 6.786 8.508 1.00 0.00 C ATOM 149 CD2 LEU A 24 -4.608 7.058 7.311 1.00 0.00 C ATOM 0 H LEU A 24 -1.896 7.422 5.056 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.756 9.686 5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.842 9.011 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.556 9.368 7.572 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.708 6.743 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.653 5.727 8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.351 6.921 8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.797 7.344 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.802 5.996 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.030 7.624 8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.069 7.384 6.379 1.00 0.00 H new ATOM 161 N TYR A 25 -0.582 9.786 4.793 1.00 0.00 N ATOM 162 CA TYR A 25 0.581 10.605 4.481 1.00 0.00 C ATOM 163 C TYR A 25 1.102 10.228 3.099 1.00 0.00 C ATOM 164 O TYR A 25 0.558 9.329 2.456 1.00 0.00 O ATOM 165 CB TYR A 25 1.692 10.415 5.521 1.00 0.00 C ATOM 166 CG TYR A 25 1.205 9.950 6.876 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.567 10.826 7.745 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.390 8.636 7.287 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.126 10.404 8.985 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.951 8.207 8.524 1.00 0.00 C ATOM 171 CZ TYR A 25 0.320 9.095 9.370 1.00 0.00 C ATOM 172 OH TYR A 25 -0.118 8.672 10.603 1.00 0.00 O ATOM 0 H TYR A 25 -0.473 8.805 4.535 1.00 0.00 H new ATOM 0 HA TYR A 25 0.281 11.653 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.411 9.691 5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.224 11.358 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.413 11.853 7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.885 7.938 6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.369 11.097 9.649 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.101 7.181 8.827 1.00 0.00 H new ATOM 0 HH TYR A 25 0.096 7.722 10.718 1.00 0.00 H new ATOM 182 N ASP A 26 2.148 10.912 2.645 1.00 0.00 N ATOM 183 CA ASP A 26 2.738 10.638 1.335 1.00 0.00 C ATOM 184 C ASP A 26 3.047 9.148 1.161 1.00 0.00 C ATOM 185 O ASP A 26 2.781 8.335 2.045 1.00 0.00 O ATOM 186 CB ASP A 26 4.015 11.460 1.151 1.00 0.00 C ATOM 187 CG ASP A 26 4.272 11.821 -0.299 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.360 11.627 -1.131 1.00 0.00 O ATOM 189 OD2 ASP A 26 5.386 12.298 -0.604 1.00 0.00 O ATOM 0 H ASP A 26 2.606 11.661 3.164 1.00 0.00 H new ATOM 0 HA ASP A 26 2.011 10.923 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.943 12.373 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.864 10.896 1.537 1.00 0.00 H new ATOM 194 N PHE A 27 3.600 8.795 0.006 1.00 0.00 N ATOM 195 CA PHE A 27 3.927 7.402 -0.297 1.00 0.00 C ATOM 196 C PHE A 27 5.416 7.108 -0.116 1.00 0.00 C ATOM 197 O PHE A 27 6.266 7.967 -0.353 1.00 0.00 O ATOM 198 CB PHE A 27 3.520 7.080 -1.731 1.00 0.00 C ATOM 199 CG PHE A 27 4.424 7.699 -2.759 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.208 8.993 -3.204 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.490 6.984 -3.273 1.00 0.00 C ATOM 202 CE1 PHE A 27 5.041 9.562 -4.148 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.327 7.549 -4.217 1.00 0.00 C ATOM 204 CZ PHE A 27 6.103 8.839 -4.655 1.00 0.00 C ATOM 0 H PHE A 27 3.832 9.453 -0.738 1.00 0.00 H new ATOM 0 HA PHE A 27 3.375 6.776 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.515 5.998 -1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.500 7.427 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.380 9.563 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.670 5.975 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.862 10.571 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.156 6.981 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.757 9.282 -5.392 1.00 0.00 H new ATOM 214 N GLU A 28 5.717 5.879 0.307 1.00 0.00 N ATOM 215 CA GLU A 28 7.098 5.454 0.522 1.00 0.00 C ATOM 216 C GLU A 28 7.622 4.634 -0.652 1.00 0.00 C ATOM 217 O GLU A 28 8.684 4.019 -0.553 1.00 0.00 O ATOM 218 CB GLU A 28 7.207 4.611 1.791 1.00 0.00 C ATOM 219 CG GLU A 28 6.542 5.235 3.006 1.00 0.00 C ATOM 220 CD GLU A 28 7.534 5.576 4.099 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.943 4.656 4.838 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.903 6.764 4.216 1.00 0.00 O ATOM 0 H GLU A 28 5.021 5.161 0.507 1.00 0.00 H new ATOM 0 HA GLU A 28 7.699 6.358 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.759 3.635 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.261 4.442 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.015 6.140 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.794 4.547 3.400 1.00 0.00 H new ATOM 229 N ALA A 29 6.884 4.610 -1.756 1.00 0.00 N ATOM 230 CA ALA A 29 7.310 3.841 -2.919 1.00 0.00 C ATOM 231 C ALA A 29 8.528 4.475 -3.575 1.00 0.00 C ATOM 232 O ALA A 29 8.417 5.466 -4.295 1.00 0.00 O ATOM 233 CB ALA A 29 6.176 3.713 -3.923 1.00 0.00 C ATOM 0 H ALA A 29 6.000 5.106 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 29 7.586 2.843 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.515 3.136 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.332 3.206 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.867 4.705 -4.251 1.00 0.00 H new ATOM 239 N LEU A 30 9.692 3.887 -3.328 1.00 0.00 N ATOM 240 CA LEU A 30 10.936 4.384 -3.899 1.00 0.00 C ATOM 241 C LEU A 30 11.393 3.478 -5.033 1.00 0.00 C ATOM 242 O LEU A 30 12.288 3.828 -5.802 1.00 0.00 O ATOM 243 CB LEU A 30 12.023 4.472 -2.823 1.00 0.00 C ATOM 244 CG LEU A 30 11.525 4.833 -1.421 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.675 4.802 -0.425 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.859 6.202 -1.425 1.00 0.00 C ATOM 0 H LEU A 30 9.800 3.064 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 30 10.759 5.384 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.540 3.514 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.759 5.215 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 30 10.784 4.093 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.304 5.061 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.109 3.802 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.437 5.521 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.512 6.441 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.577 6.955 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.010 6.192 -2.109 1.00 0.00 H new ATOM 258 N GLU A 31 10.766 2.311 -5.127 1.00 0.00 N ATOM 259 CA GLU A 31 11.103 1.347 -6.171 1.00 0.00 C ATOM 260 C GLU A 31 10.173 1.495 -7.372 1.00 0.00 C ATOM 261 O GLU A 31 9.244 2.303 -7.354 1.00 0.00 O ATOM 262 CB GLU A 31 11.030 -0.080 -5.625 1.00 0.00 C ATOM 263 CG GLU A 31 12.377 -0.633 -5.191 1.00 0.00 C ATOM 264 CD GLU A 31 13.382 -0.675 -6.325 1.00 0.00 C ATOM 265 OE1 GLU A 31 13.136 -1.402 -7.310 1.00 0.00 O ATOM 266 OE2 GLU A 31 14.415 0.021 -6.228 1.00 0.00 O ATOM 0 H GLU A 31 10.024 2.009 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 31 12.123 1.549 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.347 -0.101 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.608 -0.732 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.774 -0.020 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.242 -1.639 -4.793 1.00 0.00 H new ATOM 273 N GLU A 32 10.433 0.713 -8.417 1.00 0.00 N ATOM 274 CA GLU A 32 9.623 0.762 -9.629 1.00 0.00 C ATOM 275 C GLU A 32 8.534 -0.306 -9.605 1.00 0.00 C ATOM 276 O GLU A 32 7.498 -0.165 -10.255 1.00 0.00 O ATOM 277 CB GLU A 32 10.508 0.579 -10.865 1.00 0.00 C ATOM 278 CG GLU A 32 11.214 -0.767 -10.915 1.00 0.00 C ATOM 279 CD GLU A 32 12.695 -0.639 -11.212 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.083 0.338 -11.888 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.467 -1.514 -10.768 1.00 0.00 O ATOM 0 H GLU A 32 11.198 0.039 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 32 9.143 1.739 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.896 0.692 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.255 1.373 -10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.082 -1.278 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.747 -1.390 -11.678 1.00 0.00 H new ATOM 288 N ASP A 33 8.772 -1.373 -8.849 1.00 0.00 N ATOM 289 CA ASP A 33 7.810 -2.465 -8.739 1.00 0.00 C ATOM 290 C ASP A 33 6.744 -2.142 -7.700 1.00 0.00 C ATOM 291 O ASP A 33 5.855 -2.951 -7.434 1.00 0.00 O ATOM 292 CB ASP A 33 8.520 -3.767 -8.361 1.00 0.00 C ATOM 293 CG ASP A 33 8.421 -4.821 -9.447 1.00 0.00 C ATOM 294 OD1 ASP A 33 7.519 -4.709 -10.305 1.00 0.00 O ATOM 295 OD2 ASP A 33 9.246 -5.759 -9.441 1.00 0.00 O ATOM 0 H ASP A 33 9.623 -1.505 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 33 7.329 -2.589 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.570 -3.558 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.088 -4.158 -7.440 1.00 0.00 H new ATOM 300 N GLU A 34 6.845 -0.955 -7.110 1.00 0.00 N ATOM 301 CA GLU A 34 5.895 -0.524 -6.094 1.00 0.00 C ATOM 302 C GLU A 34 4.892 0.477 -6.660 1.00 0.00 C ATOM 303 O GLU A 34 4.816 0.681 -7.871 1.00 0.00 O ATOM 304 CB GLU A 34 6.638 0.089 -4.907 1.00 0.00 C ATOM 305 CG GLU A 34 7.649 -0.853 -4.274 1.00 0.00 C ATOM 306 CD GLU A 34 8.609 -0.143 -3.340 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.610 1.106 -3.324 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.360 -0.837 -2.624 1.00 0.00 O ATOM 0 H GLU A 34 7.576 -0.275 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 34 5.341 -1.400 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.151 0.992 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.913 0.392 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.119 -1.629 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.216 -1.352 -5.060 1.00 0.00 H new ATOM 315 N LEU A 35 4.125 1.096 -5.769 1.00 0.00 N ATOM 316 CA LEU A 35 3.121 2.077 -6.162 1.00 0.00 C ATOM 317 C LEU A 35 3.112 3.248 -5.187 1.00 0.00 C ATOM 318 O LEU A 35 3.248 3.060 -3.979 1.00 0.00 O ATOM 319 CB LEU A 35 1.738 1.423 -6.213 1.00 0.00 C ATOM 320 CG LEU A 35 0.559 2.396 -6.270 1.00 0.00 C ATOM 321 CD1 LEU A 35 0.532 3.126 -7.603 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.748 1.655 -6.038 1.00 0.00 C ATOM 0 H LEU A 35 4.181 0.934 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 35 3.371 2.453 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.694 0.772 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.622 0.787 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 35 0.682 3.136 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.314 3.813 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.458 3.686 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.432 2.402 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.578 2.360 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.877 0.895 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.727 1.179 -5.058 1.00 0.00 H new ATOM 334 N GLY A 36 2.963 4.457 -5.718 1.00 0.00 N ATOM 335 CA GLY A 36 2.957 5.633 -4.875 1.00 0.00 C ATOM 336 C GLY A 36 1.626 6.356 -4.842 1.00 0.00 C ATOM 337 O GLY A 36 1.054 6.676 -5.884 1.00 0.00 O ATOM 0 H GLY A 36 2.847 4.641 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.227 5.342 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.726 6.323 -5.224 1.00 0.00 H new ATOM 341 N PHE A 37 1.145 6.625 -3.631 1.00 0.00 N ATOM 342 CA PHE A 37 -0.116 7.331 -3.434 1.00 0.00 C ATOM 343 C PHE A 37 0.115 8.646 -2.701 1.00 0.00 C ATOM 344 O PHE A 37 1.252 9.021 -2.418 1.00 0.00 O ATOM 345 CB PHE A 37 -1.099 6.484 -2.626 1.00 0.00 C ATOM 346 CG PHE A 37 -0.449 5.476 -1.722 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.436 5.879 -0.733 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.733 4.127 -1.853 1.00 0.00 C ATOM 349 CE1 PHE A 37 1.026 4.954 0.105 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.145 3.198 -1.018 1.00 0.00 C ATOM 351 CZ PHE A 37 0.735 3.611 -0.037 1.00 0.00 C ATOM 0 H PHE A 37 1.615 6.362 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.537 7.528 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.722 7.146 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.762 5.962 -3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.666 6.928 -0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.422 3.798 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.714 5.280 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.373 2.149 -1.132 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.195 2.886 0.618 1.00 0.00 H new ATOM 361 N ARG A 38 -0.974 9.337 -2.382 1.00 0.00 N ATOM 362 CA ARG A 38 -0.890 10.604 -1.664 1.00 0.00 C ATOM 363 C ARG A 38 -1.829 10.612 -0.462 1.00 0.00 C ATOM 364 O ARG A 38 -2.638 9.700 -0.293 1.00 0.00 O ATOM 365 CB ARG A 38 -1.219 11.769 -2.594 1.00 0.00 C ATOM 366 CG ARG A 38 -0.311 11.843 -3.807 1.00 0.00 C ATOM 367 CD ARG A 38 0.239 13.245 -4.008 1.00 0.00 C ATOM 368 NE ARG A 38 1.420 13.494 -3.186 1.00 0.00 N ATOM 369 CZ ARG A 38 2.517 14.095 -3.636 1.00 0.00 C ATOM 370 NH1 ARG A 38 2.584 14.503 -4.897 1.00 0.00 N ATOM 371 NH2 ARG A 38 3.551 14.288 -2.827 1.00 0.00 N ATOM 0 H ARG A 38 -1.924 9.042 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 38 0.132 10.719 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.253 11.678 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.145 12.702 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.514 11.141 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.864 11.537 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.492 13.388 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.533 13.975 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 38 1.402 13.190 -2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.793 14.356 -5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.427 14.964 -5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.505 13.975 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.392 14.749 -3.175 1.00 0.00 H new ATOM 385 N SER A 39 -1.714 11.643 0.368 1.00 0.00 N ATOM 386 CA SER A 39 -2.556 11.767 1.555 1.00 0.00 C ATOM 387 C SER A 39 -4.036 11.675 1.189 1.00 0.00 C ATOM 388 O SER A 39 -4.454 12.135 0.126 1.00 0.00 O ATOM 389 CB SER A 39 -2.277 13.091 2.268 1.00 0.00 C ATOM 390 OG SER A 39 -3.328 13.423 3.158 1.00 0.00 O ATOM 0 H SER A 39 -1.047 12.405 0.242 1.00 0.00 H new ATOM 0 HA SER A 39 -2.316 10.942 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.339 13.020 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.155 13.885 1.532 1.00 0.00 H new ATOM 0 HG SER A 39 -3.124 14.272 3.602 1.00 0.00 H new ATOM 396 N GLY A 40 -4.820 11.076 2.081 1.00 0.00 N ATOM 397 CA GLY A 40 -6.245 10.927 1.850 1.00 0.00 C ATOM 398 C GLY A 40 -6.564 10.239 0.537 1.00 0.00 C ATOM 399 O GLY A 40 -7.306 10.778 -0.284 1.00 0.00 O ATOM 0 H GLY A 40 -4.490 10.689 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.682 10.356 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.714 11.911 1.862 1.00 0.00 H new ATOM 403 N GLU A 41 -6.006 9.048 0.333 1.00 0.00 N ATOM 404 CA GLU A 41 -6.247 8.301 -0.899 1.00 0.00 C ATOM 405 C GLU A 41 -6.595 6.842 -0.617 1.00 0.00 C ATOM 406 O GLU A 41 -5.862 6.141 0.079 1.00 0.00 O ATOM 407 CB GLU A 41 -5.021 8.377 -1.808 1.00 0.00 C ATOM 408 CG GLU A 41 -4.765 9.765 -2.371 1.00 0.00 C ATOM 409 CD GLU A 41 -5.803 10.181 -3.397 1.00 0.00 C ATOM 410 OE1 GLU A 41 -5.608 9.883 -4.594 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.809 10.808 -3.003 1.00 0.00 O ATOM 0 H GLU A 41 -5.389 8.583 0.999 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.101 8.757 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.143 8.054 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.148 7.677 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.756 10.488 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.776 9.790 -2.829 1.00 0.00 H new ATOM 418 N VAL A 42 -7.717 6.392 -1.177 1.00 0.00 N ATOM 419 CA VAL A 42 -8.171 5.015 -1.003 1.00 0.00 C ATOM 420 C VAL A 42 -7.597 4.112 -2.091 1.00 0.00 C ATOM 421 O VAL A 42 -7.626 4.454 -3.273 1.00 0.00 O ATOM 422 CB VAL A 42 -9.707 4.920 -1.034 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.169 3.535 -0.609 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.327 5.991 -0.149 1.00 0.00 C ATOM 0 H VAL A 42 -8.330 6.965 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.815 4.684 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.040 5.089 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.258 3.490 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.757 2.789 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.824 3.332 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.413 5.908 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.986 5.857 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.027 6.976 -0.506 1.00 0.00 H new ATOM 434 N VAL A 43 -7.067 2.963 -1.683 1.00 0.00 N ATOM 435 CA VAL A 43 -6.477 2.015 -2.623 1.00 0.00 C ATOM 436 C VAL A 43 -6.998 0.598 -2.390 1.00 0.00 C ATOM 437 O VAL A 43 -7.220 0.192 -1.252 1.00 0.00 O ATOM 438 CB VAL A 43 -4.940 2.015 -2.506 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.323 1.026 -3.480 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.389 3.413 -2.738 1.00 0.00 C ATOM 0 H VAL A 43 -7.034 2.666 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.766 2.334 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.675 1.703 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.238 1.044 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.691 0.023 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.597 1.300 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.303 3.395 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.668 3.753 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.801 4.095 -1.994 1.00 0.00 H new ATOM 450 N GLU A 44 -7.175 -0.158 -3.471 1.00 0.00 N ATOM 451 CA GLU A 44 -7.649 -1.536 -3.371 1.00 0.00 C ATOM 452 C GLU A 44 -6.457 -2.490 -3.325 1.00 0.00 C ATOM 453 O GLU A 44 -5.643 -2.521 -4.248 1.00 0.00 O ATOM 454 CB GLU A 44 -8.559 -1.880 -4.555 1.00 0.00 C ATOM 455 CG GLU A 44 -9.022 -3.328 -4.572 1.00 0.00 C ATOM 456 CD GLU A 44 -10.171 -3.558 -5.534 1.00 0.00 C ATOM 457 OE1 GLU A 44 -11.155 -2.790 -5.478 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.087 -4.505 -6.344 1.00 0.00 O ATOM 0 H GLU A 44 -6.998 0.159 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.227 -1.643 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.433 -1.229 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.028 -1.667 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.186 -3.970 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.329 -3.620 -3.568 1.00 0.00 H new ATOM 465 N VAL A 45 -6.349 -3.257 -2.243 1.00 0.00 N ATOM 466 CA VAL A 45 -5.241 -4.194 -2.081 1.00 0.00 C ATOM 467 C VAL A 45 -5.482 -5.473 -2.874 1.00 0.00 C ATOM 468 O VAL A 45 -6.586 -6.020 -2.875 1.00 0.00 O ATOM 469 CB VAL A 45 -5.008 -4.550 -0.598 1.00 0.00 C ATOM 470 CG1 VAL A 45 -4.067 -5.740 -0.463 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.463 -3.347 0.155 1.00 0.00 C ATOM 0 H VAL A 45 -7.012 -3.248 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.350 -3.696 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.966 -4.830 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.920 -5.970 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.500 -6.605 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.107 -5.498 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.304 -3.613 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.517 -3.038 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.177 -2.526 0.095 1.00 0.00 H new ATOM 481 N LEU A 46 -4.438 -5.941 -3.550 1.00 0.00 N ATOM 482 CA LEU A 46 -4.524 -7.153 -4.353 1.00 0.00 C ATOM 483 C LEU A 46 -3.882 -8.333 -3.630 1.00 0.00 C ATOM 484 O LEU A 46 -4.095 -9.488 -3.999 1.00 0.00 O ATOM 485 CB LEU A 46 -3.844 -6.937 -5.706 1.00 0.00 C ATOM 486 CG LEU A 46 -4.728 -7.208 -6.924 1.00 0.00 C ATOM 487 CD1 LEU A 46 -4.112 -6.602 -8.177 1.00 0.00 C ATOM 488 CD2 LEU A 46 -4.942 -8.702 -7.104 1.00 0.00 C ATOM 0 H LEU A 46 -3.520 -5.497 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.578 -7.381 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.487 -5.908 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.967 -7.582 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.698 -6.739 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.755 -6.805 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.010 -5.525 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.130 -7.042 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.573 -8.877 -7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.979 -9.193 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.427 -9.110 -6.217 1.00 0.00 H new ATOM 500 N ASP A 47 -3.095 -8.037 -2.598 1.00 0.00 N ATOM 501 CA ASP A 47 -2.424 -9.080 -1.829 1.00 0.00 C ATOM 502 C ASP A 47 -1.946 -8.555 -0.477 1.00 0.00 C ATOM 503 O ASP A 47 -0.796 -8.142 -0.330 1.00 0.00 O ATOM 504 CB ASP A 47 -1.240 -9.641 -2.617 1.00 0.00 C ATOM 505 CG ASP A 47 -0.874 -11.047 -2.183 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.754 -11.932 -2.234 1.00 0.00 O ATOM 507 OD2 ASP A 47 0.294 -11.263 -1.795 1.00 0.00 O ATOM 0 H ASP A 47 -2.907 -7.087 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.146 -9.876 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.482 -9.643 -3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.378 -8.987 -2.487 1.00 0.00 H new ATOM 512 N SER A 48 -2.836 -8.588 0.509 1.00 0.00 N ATOM 513 CA SER A 48 -2.514 -8.129 1.858 1.00 0.00 C ATOM 514 C SER A 48 -1.735 -9.182 2.609 1.00 0.00 C ATOM 515 O SER A 48 -1.349 -8.967 3.758 1.00 0.00 O ATOM 516 CB SER A 48 -3.790 -7.774 2.621 1.00 0.00 C ATOM 517 OG SER A 48 -4.884 -8.556 2.177 1.00 0.00 O ATOM 0 H SER A 48 -3.791 -8.929 0.400 1.00 0.00 H new ATOM 0 HA SER A 48 -1.896 -7.235 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.635 -7.932 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.016 -6.716 2.485 1.00 0.00 H new ATOM 0 HG SER A 48 -5.687 -8.311 2.682 1.00 0.00 H new ATOM 523 N SER A 49 -1.470 -10.310 1.965 1.00 0.00 N ATOM 524 CA SER A 49 -0.698 -11.333 2.627 1.00 0.00 C ATOM 525 C SER A 49 0.763 -10.923 2.600 1.00 0.00 C ATOM 526 O SER A 49 1.380 -10.847 1.538 1.00 0.00 O ATOM 527 CB SER A 49 -0.887 -12.686 1.938 1.00 0.00 C ATOM 528 OG SER A 49 -2.209 -13.166 2.112 1.00 0.00 O ATOM 0 H SER A 49 -1.770 -10.530 1.015 1.00 0.00 H new ATOM 0 HA SER A 49 -1.036 -11.439 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.669 -12.590 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.178 -13.407 2.345 1.00 0.00 H new ATOM 0 HG SER A 49 -2.305 -14.031 1.661 1.00 0.00 H new ATOM 534 N ASN A 50 1.284 -10.651 3.790 1.00 0.00 N ATOM 535 CA ASN A 50 2.663 -10.219 3.995 1.00 0.00 C ATOM 536 C ASN A 50 2.774 -9.565 5.369 1.00 0.00 C ATOM 537 O ASN A 50 1.766 -9.145 5.937 1.00 0.00 O ATOM 538 CB ASN A 50 3.078 -9.217 2.921 1.00 0.00 C ATOM 539 CG ASN A 50 3.938 -9.833 1.838 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.882 -10.572 2.116 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.609 -9.522 0.589 1.00 0.00 N ATOM 0 H ASN A 50 0.751 -10.726 4.656 1.00 0.00 H new ATOM 0 HA ASN A 50 3.322 -11.085 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.184 -8.788 2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.624 -8.397 3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.148 -9.901 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.817 -8.905 0.409 1.00 0.00 H new ATOM 548 N PRO A 51 3.983 -9.482 5.943 1.00 0.00 N ATOM 549 CA PRO A 51 4.175 -8.896 7.259 1.00 0.00 C ATOM 550 C PRO A 51 4.481 -7.399 7.230 1.00 0.00 C ATOM 551 O PRO A 51 4.799 -6.814 8.266 1.00 0.00 O ATOM 552 CB PRO A 51 5.372 -9.679 7.785 1.00 0.00 C ATOM 553 CG PRO A 51 6.193 -9.982 6.569 1.00 0.00 C ATOM 554 CD PRO A 51 5.253 -9.975 5.382 1.00 0.00 C ATOM 0 HA PRO A 51 3.275 -8.962 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.939 -9.095 8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.057 -10.593 8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.980 -9.239 6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.682 -10.951 6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.618 -9.325 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.141 -10.971 4.954 1.00 0.00 H new ATOM 562 N SER A 52 4.385 -6.775 6.056 1.00 0.00 N ATOM 563 CA SER A 52 4.658 -5.342 5.950 1.00 0.00 C ATOM 564 C SER A 52 4.311 -4.786 4.571 1.00 0.00 C ATOM 565 O SER A 52 3.525 -3.848 4.457 1.00 0.00 O ATOM 566 CB SER A 52 6.128 -5.060 6.262 1.00 0.00 C ATOM 567 OG SER A 52 6.258 -4.271 7.432 1.00 0.00 O ATOM 0 H SER A 52 4.125 -7.229 5.180 1.00 0.00 H new ATOM 0 HA SER A 52 4.021 -4.841 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.662 -6.001 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.590 -4.546 5.419 1.00 0.00 H new ATOM 0 HG SER A 52 5.836 -4.733 8.187 1.00 0.00 H new ATOM 573 N TRP A 53 4.917 -5.342 3.529 1.00 0.00 N ATOM 574 CA TRP A 53 4.676 -4.865 2.169 1.00 0.00 C ATOM 575 C TRP A 53 3.629 -5.709 1.447 1.00 0.00 C ATOM 576 O TRP A 53 3.851 -6.888 1.173 1.00 0.00 O ATOM 577 CB TRP A 53 5.981 -4.865 1.372 1.00 0.00 C ATOM 578 CG TRP A 53 6.791 -3.618 1.553 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.703 -3.366 2.537 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.762 -2.450 0.725 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.243 -2.114 2.372 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.682 -1.530 1.266 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.049 -2.092 -0.423 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.905 -0.278 0.698 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.272 -0.849 -0.984 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.193 0.045 -0.424 1.00 0.00 C ATOM 0 H TRP A 53 5.575 -6.119 3.596 1.00 0.00 H new ATOM 0 HA TRP A 53 4.291 -3.848 2.242 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.580 -5.725 1.671 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.751 -4.989 0.314 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.962 -4.052 3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.947 -1.688 2.975 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.337 -2.774 -0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.615 0.413 1.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.726 -0.562 -1.870 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.344 1.009 -0.887 1.00 0.00 H new ATOM 597 N TRP A 54 2.494 -5.091 1.122 1.00 0.00 N ATOM 598 CA TRP A 54 1.423 -5.784 0.409 1.00 0.00 C ATOM 599 C TRP A 54 1.307 -5.266 -1.022 1.00 0.00 C ATOM 600 O TRP A 54 1.476 -4.073 -1.275 1.00 0.00 O ATOM 601 CB TRP A 54 0.067 -5.604 1.104 1.00 0.00 C ATOM 602 CG TRP A 54 0.046 -5.938 2.563 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.931 -6.714 3.244 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.937 -5.518 3.517 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.556 -6.814 4.560 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.584 -6.081 4.755 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.081 -4.717 3.442 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.334 -5.872 5.911 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.824 -4.510 4.589 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.447 -5.085 5.809 1.00 0.00 C ATOM 0 H TRP A 54 2.293 -4.115 1.340 1.00 0.00 H new ATOM 0 HA TRP A 54 1.681 -6.843 0.405 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.251 -4.569 0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.669 -6.227 0.595 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.802 -7.183 2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.047 -7.348 5.277 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.378 -4.269 2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.046 -6.316 6.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.710 -3.894 4.544 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.048 -4.903 6.688 1.00 0.00 H new ATOM 621 N THR A 55 1.008 -6.168 -1.952 1.00 0.00 N ATOM 622 CA THR A 55 0.855 -5.797 -3.356 1.00 0.00 C ATOM 623 C THR A 55 -0.569 -5.322 -3.645 1.00 0.00 C ATOM 624 O THR A 55 -1.524 -6.087 -3.518 1.00 0.00 O ATOM 625 CB THR A 55 1.187 -6.979 -4.287 1.00 0.00 C ATOM 626 OG1 THR A 55 2.441 -7.561 -3.913 1.00 0.00 O ATOM 627 CG2 THR A 55 1.246 -6.526 -5.740 1.00 0.00 C ATOM 0 H THR A 55 0.867 -7.160 -1.760 1.00 0.00 H new ATOM 0 HA THR A 55 1.555 -4.984 -3.549 1.00 0.00 H new ATOM 0 HB THR A 55 0.397 -7.723 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.643 -8.312 -4.509 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.482 -7.378 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.281 -6.111 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.017 -5.764 -5.853 1.00 0.00 H new ATOM 635 N GLY A 56 -0.703 -4.056 -4.038 1.00 0.00 N ATOM 636 CA GLY A 56 -2.016 -3.502 -4.341 1.00 0.00 C ATOM 637 C GLY A 56 -1.988 -2.580 -5.549 1.00 0.00 C ATOM 638 O GLY A 56 -0.987 -2.521 -6.261 1.00 0.00 O ATOM 0 H GLY A 56 0.073 -3.404 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.718 -4.316 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.384 -2.952 -3.475 1.00 0.00 H new ATOM 642 N ARG A 57 -3.083 -1.857 -5.785 1.00 0.00 N ATOM 643 CA ARG A 57 -3.156 -0.940 -6.921 1.00 0.00 C ATOM 644 C ARG A 57 -4.090 0.237 -6.644 1.00 0.00 C ATOM 645 O ARG A 57 -5.200 0.062 -6.139 1.00 0.00 O ATOM 646 CB ARG A 57 -3.613 -1.683 -8.182 1.00 0.00 C ATOM 647 CG ARG A 57 -4.906 -2.463 -8.006 1.00 0.00 C ATOM 648 CD ARG A 57 -5.548 -2.781 -9.348 1.00 0.00 C ATOM 649 NE ARG A 57 -6.539 -3.852 -9.248 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.312 -4.236 -10.259 1.00 0.00 C ATOM 651 NH1 ARG A 57 -7.219 -3.636 -11.439 1.00 0.00 N ATOM 652 NH2 ARG A 57 -8.183 -5.223 -10.092 1.00 0.00 N ATOM 0 H ARG A 57 -3.925 -1.888 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.154 -0.542 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.743 -0.962 -8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.826 -2.370 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.704 -3.390 -7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.601 -1.886 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.024 -1.883 -9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.774 -3.070 -10.059 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.643 -4.331 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.552 -2.876 -11.574 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.815 -3.935 -12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.260 -5.688 -9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.776 -5.517 -10.868 1.00 0.00 H new ATOM 666 N LEU A 58 -3.627 1.437 -6.994 1.00 0.00 N ATOM 667 CA LEU A 58 -4.402 2.661 -6.801 1.00 0.00 C ATOM 668 C LEU A 58 -5.067 3.066 -8.111 1.00 0.00 C ATOM 669 O LEU A 58 -4.387 3.372 -9.088 1.00 0.00 O ATOM 670 CB LEU A 58 -3.487 3.789 -6.305 1.00 0.00 C ATOM 671 CG LEU A 58 -4.167 5.143 -6.063 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.457 5.904 -4.956 1.00 0.00 C ATOM 673 CD2 LEU A 58 -4.188 5.971 -7.339 1.00 0.00 C ATOM 0 H LEU A 58 -2.711 1.587 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.174 2.478 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.018 3.468 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.688 3.930 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.196 4.956 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.952 6.862 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.490 5.322 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.419 6.075 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.675 6.927 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.166 6.146 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.738 5.434 -8.112 1.00 0.00 H new ATOM 685 N HIS A 59 -6.399 3.057 -8.124 1.00 0.00 N ATOM 686 CA HIS A 59 -7.155 3.412 -9.320 1.00 0.00 C ATOM 687 C HIS A 59 -6.892 2.402 -10.433 1.00 0.00 C ATOM 688 O HIS A 59 -7.622 1.420 -10.575 1.00 0.00 O ATOM 689 CB HIS A 59 -6.793 4.825 -9.790 1.00 0.00 C ATOM 690 CG HIS A 59 -7.786 5.868 -9.383 1.00 0.00 C ATOM 691 ND1 HIS A 59 -8.328 6.776 -10.268 1.00 0.00 N ATOM 692 CD2 HIS A 59 -8.335 6.148 -8.177 1.00 0.00 C ATOM 693 CE1 HIS A 59 -9.165 7.569 -9.624 1.00 0.00 C ATOM 694 NE2 HIS A 59 -9.189 7.209 -8.355 1.00 0.00 N ATOM 0 H HIS A 59 -6.975 2.808 -7.320 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.216 3.393 -9.072 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.815 5.092 -9.390 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.704 4.825 -10.876 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.138 5.633 -7.248 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.734 8.376 -10.062 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -9.750 7.647 -7.625 1.00 0.00 H new ATOM 703 N ASN A 60 -5.841 2.641 -11.216 1.00 0.00 N ATOM 704 CA ASN A 60 -5.485 1.738 -12.308 1.00 0.00 C ATOM 705 C ASN A 60 -3.984 1.457 -12.329 1.00 0.00 C ATOM 706 O ASN A 60 -3.489 0.751 -13.208 1.00 0.00 O ATOM 707 CB ASN A 60 -5.925 2.325 -13.650 1.00 0.00 C ATOM 708 CG ASN A 60 -7.150 1.630 -14.210 1.00 0.00 C ATOM 709 OD1 ASN A 60 -7.468 0.504 -13.829 1.00 0.00 O ATOM 710 ND2 ASN A 60 -7.846 2.300 -15.121 1.00 0.00 N ATOM 0 H ASN A 60 -5.225 3.447 -11.115 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.006 0.795 -12.142 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.137 3.387 -13.527 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.106 2.244 -14.365 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.680 1.883 -15.534 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.546 3.232 -15.408 1.00 0.00 H new ATOM 717 N LYS A 61 -3.269 1.998 -11.349 1.00 0.00 N ATOM 718 CA LYS A 61 -1.830 1.793 -11.248 1.00 0.00 C ATOM 719 C LYS A 61 -1.531 0.682 -10.249 1.00 0.00 C ATOM 720 O LYS A 61 -2.058 0.686 -9.139 1.00 0.00 O ATOM 721 CB LYS A 61 -1.137 3.088 -10.819 1.00 0.00 C ATOM 722 CG LYS A 61 -1.569 4.302 -11.624 1.00 0.00 C ATOM 723 CD LYS A 61 -0.779 5.541 -11.233 1.00 0.00 C ATOM 724 CE LYS A 61 0.566 5.590 -11.939 1.00 0.00 C ATOM 725 NZ LYS A 61 1.329 6.822 -11.600 1.00 0.00 N ATOM 0 H LYS A 61 -3.664 2.583 -10.612 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.448 1.502 -12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.344 3.269 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.059 2.963 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.432 4.102 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.632 4.483 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.354 6.433 -11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.625 5.550 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.152 4.713 -11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.411 5.544 -13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.240 6.816 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.782 7.659 -11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.500 6.854 -10.575 1.00 0.00 H new ATOM 739 N LEU A 62 -0.699 -0.273 -10.649 1.00 0.00 N ATOM 740 CA LEU A 62 -0.357 -1.394 -9.780 1.00 0.00 C ATOM 741 C LEU A 62 1.030 -1.224 -9.172 1.00 0.00 C ATOM 742 O LEU A 62 1.905 -0.583 -9.756 1.00 0.00 O ATOM 743 CB LEU A 62 -0.426 -2.712 -10.556 1.00 0.00 C ATOM 744 CG LEU A 62 -1.299 -2.682 -11.813 1.00 0.00 C ATOM 745 CD1 LEU A 62 -0.435 -2.716 -13.064 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.278 -3.844 -11.807 1.00 0.00 C ATOM 0 H LEU A 62 -0.250 -0.294 -11.565 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.084 -1.416 -8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.586 -3.000 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.802 -3.488 -9.890 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.868 -1.753 -11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.073 -2.694 -13.948 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.227 -1.850 -13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.161 -3.628 -13.070 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.891 -3.808 -12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.727 -4.784 -11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.919 -3.775 -10.928 1.00 0.00 H new ATOM 758 N GLY A 63 1.221 -1.808 -7.992 1.00 0.00 N ATOM 759 CA GLY A 63 2.499 -1.719 -7.314 1.00 0.00 C ATOM 760 C GLY A 63 2.382 -1.947 -5.819 1.00 0.00 C ATOM 761 O GLY A 63 1.322 -1.730 -5.231 1.00 0.00 O ATOM 0 H GLY A 63 0.510 -2.343 -7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.183 -2.454 -7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.935 -0.736 -7.495 1.00 0.00 H new ATOM 765 N LEU A 64 3.474 -2.388 -5.205 1.00 0.00 N ATOM 766 CA LEU A 64 3.496 -2.650 -3.768 1.00 0.00 C ATOM 767 C LEU A 64 3.371 -1.350 -2.975 1.00 0.00 C ATOM 768 O LEU A 64 3.575 -0.265 -3.515 1.00 0.00 O ATOM 769 CB LEU A 64 4.787 -3.382 -3.387 1.00 0.00 C ATOM 770 CG LEU A 64 5.408 -4.234 -4.498 1.00 0.00 C ATOM 771 CD1 LEU A 64 6.727 -4.831 -4.036 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.448 -5.333 -4.931 1.00 0.00 C ATOM 0 H LEU A 64 4.358 -2.572 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 64 2.643 -3.282 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.522 -2.644 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.582 -4.024 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 64 5.602 -3.591 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.154 -5.433 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.418 -4.029 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.556 -5.459 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.908 -5.927 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.221 -5.975 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.527 -4.885 -5.303 1.00 0.00 H new ATOM 784 N PHE A 65 3.034 -1.464 -1.693 1.00 0.00 N ATOM 785 CA PHE A 65 2.882 -0.289 -0.837 1.00 0.00 C ATOM 786 C PHE A 65 3.196 -0.618 0.624 1.00 0.00 C ATOM 787 O PHE A 65 3.168 -1.783 1.025 1.00 0.00 O ATOM 788 CB PHE A 65 1.455 0.270 -0.943 1.00 0.00 C ATOM 789 CG PHE A 65 0.485 -0.379 0.002 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.320 0.120 1.281 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.250 -1.489 -0.381 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.556 -0.471 2.164 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.131 -2.089 0.498 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.283 -1.579 1.774 1.00 0.00 C ATOM 0 H PHE A 65 2.861 -2.354 -1.225 1.00 0.00 H new ATOM 0 HA PHE A 65 3.593 0.462 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.478 1.342 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.097 0.140 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.886 0.986 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.133 -1.890 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.674 -0.069 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.699 -2.954 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.969 -2.046 2.465 1.00 0.00 H new ATOM 804 N PRO A 66 3.482 0.412 1.446 1.00 0.00 N ATOM 805 CA PRO A 66 3.782 0.231 2.870 1.00 0.00 C ATOM 806 C PRO A 66 2.518 0.058 3.711 1.00 0.00 C ATOM 807 O PRO A 66 1.786 1.020 3.947 1.00 0.00 O ATOM 808 CB PRO A 66 4.465 1.546 3.227 1.00 0.00 C ATOM 809 CG PRO A 66 3.770 2.543 2.371 1.00 0.00 C ATOM 810 CD PRO A 66 3.530 1.844 1.061 1.00 0.00 C ATOM 0 HA PRO A 66 4.379 -0.661 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.355 1.780 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.534 1.513 3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.831 2.863 2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.379 3.436 2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.599 2.168 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.329 2.042 0.346 1.00 0.00 H new ATOM 818 N ALA A 67 2.263 -1.163 4.169 1.00 0.00 N ATOM 819 CA ALA A 67 1.084 -1.431 4.986 1.00 0.00 C ATOM 820 C ALA A 67 1.206 -0.756 6.347 1.00 0.00 C ATOM 821 O ALA A 67 0.253 -0.731 7.127 1.00 0.00 O ATOM 822 CB ALA A 67 0.873 -2.927 5.152 1.00 0.00 C ATOM 0 H ALA A 67 2.851 -1.977 3.991 1.00 0.00 H new ATOM 0 HA ALA A 67 0.216 -1.016 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.011 -3.104 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.734 -3.386 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.745 -3.366 5.638 1.00 0.00 H new ATOM 828 N ASN A 68 2.384 -0.205 6.624 1.00 0.00 N ATOM 829 CA ASN A 68 2.635 0.476 7.888 1.00 0.00 C ATOM 830 C ASN A 68 2.361 1.971 7.762 1.00 0.00 C ATOM 831 O ASN A 68 1.908 2.609 8.712 1.00 0.00 O ATOM 832 CB ASN A 68 4.080 0.235 8.342 1.00 0.00 C ATOM 833 CG ASN A 68 4.805 1.515 8.715 1.00 0.00 C ATOM 834 OD1 ASN A 68 4.991 1.814 9.894 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.218 2.278 7.707 1.00 0.00 N ATOM 0 H ASN A 68 3.181 -0.217 5.988 1.00 0.00 H new ATOM 0 HA ASN A 68 1.958 0.068 8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.078 -0.438 9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.627 -0.267 7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.711 3.151 7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.042 1.991 6.744 1.00 0.00 H new ATOM 842 N TYR A 69 2.637 2.526 6.585 1.00 0.00 N ATOM 843 CA TYR A 69 2.418 3.946 6.347 1.00 0.00 C ATOM 844 C TYR A 69 0.931 4.245 6.209 1.00 0.00 C ATOM 845 O TYR A 69 0.453 5.282 6.670 1.00 0.00 O ATOM 846 CB TYR A 69 3.168 4.407 5.097 1.00 0.00 C ATOM 847 CG TYR A 69 3.920 5.705 5.292 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.930 5.810 6.240 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.617 6.825 4.530 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.618 6.995 6.422 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.302 8.013 4.705 1.00 0.00 C ATOM 852 CZ TYR A 69 5.300 8.093 5.652 1.00 0.00 C ATOM 853 OH TYR A 69 5.982 9.274 5.829 1.00 0.00 O ATOM 0 H TYR A 69 3.011 2.015 5.785 1.00 0.00 H new ATOM 0 HA TYR A 69 2.804 4.496 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.871 3.630 4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.457 4.527 4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.182 4.951 6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.834 6.767 3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.400 7.060 7.164 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.056 8.875 4.102 1.00 0.00 H new ATOM 0 HH TYR A 69 5.636 9.948 5.207 1.00 0.00 H new ATOM 863 N VAL A 70 0.197 3.333 5.573 1.00 0.00 N ATOM 864 CA VAL A 70 -1.239 3.518 5.386 1.00 0.00 C ATOM 865 C VAL A 70 -2.032 2.354 5.986 1.00 0.00 C ATOM 866 O VAL A 70 -1.513 1.248 6.137 1.00 0.00 O ATOM 867 CB VAL A 70 -1.592 3.676 3.892 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.439 4.322 3.139 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.952 2.337 3.267 1.00 0.00 C ATOM 0 H VAL A 70 0.569 2.467 5.182 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.515 4.434 5.909 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.465 4.325 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.704 4.426 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.235 5.306 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.450 3.697 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.196 2.481 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.106 1.656 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.813 1.914 3.784 1.00 0.00 H new ATOM 879 N ALA A 71 -3.292 2.617 6.336 1.00 0.00 N ATOM 880 CA ALA A 71 -4.157 1.599 6.930 1.00 0.00 C ATOM 881 C ALA A 71 -5.388 1.337 6.063 1.00 0.00 C ATOM 882 O ALA A 71 -5.880 2.240 5.387 1.00 0.00 O ATOM 883 CB ALA A 71 -4.578 2.022 8.330 1.00 0.00 C ATOM 0 H ALA A 71 -3.736 3.528 6.218 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.590 0.670 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.222 1.257 8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.693 2.147 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.121 2.966 8.277 1.00 0.00 H new ATOM 889 N PRO A 72 -5.897 0.087 6.059 1.00 0.00 N ATOM 890 CA PRO A 72 -7.067 -0.296 5.259 1.00 0.00 C ATOM 891 C PRO A 72 -8.318 0.508 5.572 1.00 0.00 C ATOM 892 O PRO A 72 -8.305 1.431 6.387 1.00 0.00 O ATOM 893 CB PRO A 72 -7.290 -1.766 5.605 1.00 0.00 C ATOM 894 CG PRO A 72 -5.971 -2.239 6.092 1.00 0.00 C ATOM 895 CD PRO A 72 -5.368 -1.064 6.817 1.00 0.00 C ATOM 0 HA PRO A 72 -6.881 -0.109 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.059 -1.881 6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.618 -2.333 4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.082 -3.096 6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.337 -2.557 5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.671 -1.034 7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.279 -1.094 6.801 1.00 0.00 H new ATOM 903 N MET A 73 -9.393 0.141 4.891 1.00 0.00 N ATOM 904 CA MET A 73 -10.677 0.797 5.040 1.00 0.00 C ATOM 905 C MET A 73 -11.804 -0.180 4.724 1.00 0.00 C ATOM 906 O MET A 73 -11.747 -0.904 3.729 1.00 0.00 O ATOM 907 CB MET A 73 -10.745 1.995 4.101 1.00 0.00 C ATOM 908 CG MET A 73 -11.618 3.127 4.615 1.00 0.00 C ATOM 909 SD MET A 73 -13.364 2.889 4.230 1.00 0.00 S ATOM 910 CE MET A 73 -13.616 4.163 2.997 1.00 0.00 C ATOM 0 H MET A 73 -9.396 -0.624 4.217 1.00 0.00 H new ATOM 0 HA MET A 73 -10.790 1.138 6.069 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.736 2.373 3.935 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.125 1.666 3.134 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.497 3.212 5.695 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.279 4.068 4.181 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.652 4.143 2.660 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.395 5.138 3.431 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.955 3.985 2.149 1.00 0.00 H new ATOM 920 N MET A 74 -12.823 -0.206 5.574 1.00 0.00 N ATOM 921 CA MET A 74 -13.953 -1.105 5.381 1.00 0.00 C ATOM 922 C MET A 74 -15.109 -0.394 4.684 1.00 0.00 C ATOM 923 O MET A 74 -15.767 0.466 5.269 1.00 0.00 O ATOM 924 CB MET A 74 -14.408 -1.671 6.726 1.00 0.00 C ATOM 925 CG MET A 74 -15.638 -2.557 6.636 1.00 0.00 C ATOM 926 SD MET A 74 -15.653 -3.846 7.899 1.00 0.00 S ATOM 927 CE MET A 74 -17.407 -4.197 8.009 1.00 0.00 C ATOM 0 H MET A 74 -12.890 0.385 6.403 1.00 0.00 H new ATOM 0 HA MET A 74 -13.631 -1.926 4.741 1.00 0.00 H new ATOM 0 HB2 MET A 74 -13.590 -2.244 7.163 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.617 -0.844 7.405 1.00 0.00 H new ATOM 0 HG2 MET A 74 -16.533 -1.943 6.737 1.00 0.00 H new ATOM 0 HG3 MET A 74 -15.678 -3.019 5.649 1.00 0.00 H new ATOM 0 HE1 MET A 74 -17.576 -4.977 8.752 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.941 -3.294 8.303 1.00 0.00 H new ATOM 0 HE3 MET A 74 -17.772 -4.534 7.039 1.00 0.00 H new ATOM 937 N ARG A 75 -15.345 -0.762 3.429 1.00 0.00 N ATOM 938 CA ARG A 75 -16.420 -0.166 2.641 1.00 0.00 C ATOM 939 C ARG A 75 -17.785 -0.530 3.216 1.00 0.00 C ATOM 940 O ARG A 75 -18.794 0.037 2.746 1.00 0.00 O ATOM 941 CB ARG A 75 -16.330 -0.628 1.186 1.00 0.00 C ATOM 942 CG ARG A 75 -14.905 -0.757 0.672 1.00 0.00 C ATOM 943 CD ARG A 75 -14.554 0.367 -0.290 1.00 0.00 C ATOM 944 NE ARG A 75 -15.658 0.677 -1.193 1.00 0.00 N ATOM 945 CZ ARG A 75 -15.852 1.874 -1.741 1.00 0.00 C ATOM 946 NH1 ARG A 75 -15.013 2.869 -1.481 1.00 0.00 N ATOM 947 NH2 ARG A 75 -16.882 2.074 -2.550 1.00 0.00 N ATOM 948 OXT ARG A 75 -17.834 -1.379 4.131 1.00 0.00 O ATOM 0 H ARG A 75 -14.805 -1.472 2.934 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.306 0.917 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.830 -1.591 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.871 0.078 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.212 -0.747 1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.784 -1.717 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.287 1.259 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.677 0.085 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.319 -0.067 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.218 2.717 -0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.163 3.786 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.527 1.310 -2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.030 2.992 -2.970 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 5.241 8.331 13.413 1.00 0.00 N ATOM 964 CA ALA B 76 5.837 8.299 12.053 1.00 0.00 C ATOM 965 C ALA B 76 6.104 6.865 11.602 1.00 0.00 C ATOM 966 O ALA B 76 7.172 6.311 11.866 1.00 0.00 O ATOM 967 CB ALA B 76 7.125 9.109 12.024 1.00 0.00 C ATOM 0 HA ALA B 76 5.122 8.743 11.360 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.552 9.078 11.022 1.00 0.00 H new ATOM 0 HB2 ALA B 76 6.911 10.143 12.295 1.00 0.00 H new ATOM 0 HB3 ALA B 76 7.836 8.688 12.735 1.00 0.00 H new ATOM 975 N PRO B 77 5.128 6.240 10.915 1.00 0.00 N ATOM 976 CA PRO B 77 5.257 4.861 10.431 1.00 0.00 C ATOM 977 C PRO B 77 6.537 4.631 9.635 1.00 0.00 C ATOM 978 O PRO B 77 6.830 5.356 8.685 1.00 0.00 O ATOM 979 CB PRO B 77 4.037 4.690 9.525 1.00 0.00 C ATOM 980 CG PRO B 77 3.033 5.642 10.070 1.00 0.00 C ATOM 981 CD PRO B 77 3.818 6.826 10.563 1.00 0.00 C ATOM 0 HA PRO B 77 5.306 4.149 11.255 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.278 4.919 8.487 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.666 3.665 9.548 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.318 5.939 9.302 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.461 5.187 10.879 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.914 7.594 9.795 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.342 7.294 11.424 1.00 0.00 H new ATOM 989 N SER B 78 7.290 3.608 10.025 1.00 0.00 N ATOM 990 CA SER B 78 8.533 3.268 9.344 1.00 0.00 C ATOM 991 C SER B 78 8.418 1.910 8.670 1.00 0.00 C ATOM 992 O SER B 78 8.255 0.885 9.333 1.00 0.00 O ATOM 993 CB SER B 78 9.703 3.272 10.328 1.00 0.00 C ATOM 994 OG SER B 78 10.862 3.837 9.739 1.00 0.00 O ATOM 0 H SER B 78 7.060 2.999 10.811 1.00 0.00 H new ATOM 0 HA SER B 78 8.720 4.021 8.579 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.431 3.838 11.219 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.915 2.253 10.650 1.00 0.00 H new ATOM 0 HG SER B 78 11.596 3.830 10.389 1.00 0.00 H new ATOM 1000 N ILE B 79 8.494 1.914 7.345 1.00 0.00 N ATOM 1001 CA ILE B 79 8.387 0.688 6.570 1.00 0.00 C ATOM 1002 C ILE B 79 9.748 0.249 6.033 1.00 0.00 C ATOM 1003 O ILE B 79 10.536 1.066 5.555 1.00 0.00 O ATOM 1004 CB ILE B 79 7.375 0.858 5.411 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.164 -0.051 5.642 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.019 0.587 4.054 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.343 -1.471 5.145 1.00 0.00 C ATOM 0 H ILE B 79 8.630 2.756 6.785 1.00 0.00 H new ATOM 0 HA ILE B 79 8.022 -0.094 7.236 1.00 0.00 H new ATOM 0 HB ILE B 79 7.039 1.895 5.399 1.00 0.00 H new ATOM 0 HG12 ILE B 79 5.943 -0.078 6.709 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.297 0.387 5.148 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.277 0.717 3.267 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.841 1.285 3.896 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.400 -0.434 4.029 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.439 -2.045 5.349 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.531 -1.460 4.071 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.188 -1.932 5.657 1.00 0.00 H new ATOM 1019 N ASP B 80 10.009 -1.050 6.121 1.00 0.00 N ATOM 1020 CA ASP B 80 11.265 -1.621 5.648 1.00 0.00 C ATOM 1021 C ASP B 80 11.077 -2.290 4.290 1.00 0.00 C ATOM 1022 O ASP B 80 10.264 -3.201 4.145 1.00 0.00 O ATOM 1023 CB ASP B 80 11.797 -2.637 6.663 1.00 0.00 C ATOM 1024 CG ASP B 80 11.761 -2.110 8.083 1.00 0.00 C ATOM 1025 OD1 ASP B 80 11.955 -0.889 8.269 1.00 0.00 O ATOM 1026 OD2 ASP B 80 11.539 -2.916 9.011 1.00 0.00 O ATOM 0 H ASP B 80 9.363 -1.732 6.518 1.00 0.00 H new ATOM 0 HA ASP B 80 11.989 -0.814 5.538 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.205 -3.550 6.603 1.00 0.00 H new ATOM 0 HB3 ASP B 80 12.822 -2.903 6.403 1.00 0.00 H new ATOM 1031 N ARG B 81 11.827 -1.828 3.296 1.00 0.00 N ATOM 1032 CA ARG B 81 11.739 -2.378 1.947 1.00 0.00 C ATOM 1033 C ARG B 81 12.441 -3.729 1.854 1.00 0.00 C ATOM 1034 O ARG B 81 12.392 -4.394 0.819 1.00 0.00 O ATOM 1035 CB ARG B 81 12.350 -1.406 0.938 1.00 0.00 C ATOM 1036 CG ARG B 81 11.687 -0.040 0.933 1.00 0.00 C ATOM 1037 CD ARG B 81 11.711 0.586 -0.452 1.00 0.00 C ATOM 1038 NE ARG B 81 13.031 0.492 -1.071 1.00 0.00 N ATOM 1039 CZ ARG B 81 14.085 1.197 -0.672 1.00 0.00 C ATOM 1040 NH1 ARG B 81 13.978 2.033 0.352 1.00 0.00 N ATOM 1041 NH2 ARG B 81 15.249 1.060 -1.292 1.00 0.00 N ATOM 0 H ARG B 81 12.504 -1.072 3.399 1.00 0.00 H new ATOM 0 HA ARG B 81 10.684 -2.524 1.714 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.411 -1.285 1.159 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.279 -1.839 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG B 81 10.656 -0.134 1.273 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.197 0.616 1.639 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.977 0.090 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.417 1.633 -0.382 1.00 0.00 H new ATOM 0 HE ARG B 81 13.151 -0.151 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.086 2.136 0.835 1.00 0.00 H new ATOM 0 HH12 ARG B 81 14.788 2.573 0.656 1.00 0.00 H new ATOM 0 HH21 ARG B 81 15.336 0.413 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG B 81 16.057 1.601 -0.985 1.00 0.00 H new ATOM 1055 N SER B 82 13.099 -4.126 2.936 1.00 0.00 N ATOM 1056 CA SER B 82 13.817 -5.396 2.971 1.00 0.00 C ATOM 1057 C SER B 82 12.872 -6.564 3.247 1.00 0.00 C ATOM 1058 O SER B 82 13.312 -7.705 3.383 1.00 0.00 O ATOM 1059 CB SER B 82 14.915 -5.351 4.035 1.00 0.00 C ATOM 1060 OG SER B 82 14.404 -4.899 5.277 1.00 0.00 O ATOM 0 H SER B 82 13.151 -3.588 3.801 1.00 0.00 H new ATOM 0 HA SER B 82 14.269 -5.551 1.991 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.349 -6.344 4.156 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.717 -4.690 3.706 1.00 0.00 H new ATOM 0 HG SER B 82 15.125 -4.881 5.940 1.00 0.00 H new ATOM 1066 N THR B 83 11.575 -6.275 3.332 1.00 0.00 N ATOM 1067 CA THR B 83 10.582 -7.311 3.599 1.00 0.00 C ATOM 1068 C THR B 83 9.466 -7.311 2.551 1.00 0.00 C ATOM 1069 O THR B 83 8.345 -7.739 2.824 1.00 0.00 O ATOM 1070 CB THR B 83 9.968 -7.144 5.004 1.00 0.00 C ATOM 1071 OG1 THR B 83 9.047 -8.207 5.271 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.259 -5.806 5.132 1.00 0.00 C ATOM 0 H THR B 83 11.190 -5.337 3.220 1.00 0.00 H new ATOM 0 HA THR B 83 11.104 -8.267 3.548 1.00 0.00 H new ATOM 0 HB THR B 83 10.778 -7.178 5.733 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.568 -8.439 4.448 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.835 -5.713 6.132 1.00 0.00 H new ATOM 0 HG22 THR B 83 9.972 -4.999 4.964 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.461 -5.745 4.392 1.00 0.00 H new ATOM 1080 N LYS B 84 9.785 -6.835 1.348 1.00 0.00 N ATOM 1081 CA LYS B 84 8.815 -6.787 0.255 1.00 0.00 C ATOM 1082 C LYS B 84 8.273 -8.186 -0.052 1.00 0.00 C ATOM 1083 O LYS B 84 8.881 -9.186 0.332 1.00 0.00 O ATOM 1084 CB LYS B 84 9.467 -6.193 -0.997 1.00 0.00 C ATOM 1085 CG LYS B 84 9.177 -4.713 -1.193 1.00 0.00 C ATOM 1086 CD LYS B 84 10.438 -3.935 -1.539 1.00 0.00 C ATOM 1087 CE LYS B 84 10.895 -4.215 -2.962 1.00 0.00 C ATOM 1088 NZ LYS B 84 9.834 -3.899 -3.958 1.00 0.00 N ATOM 0 H LYS B 84 10.709 -6.477 1.106 1.00 0.00 H new ATOM 0 HA LYS B 84 7.982 -6.154 0.561 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.546 -6.338 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.119 -6.742 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.442 -4.588 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.735 -4.305 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.252 -2.868 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.233 -4.200 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS B 84 11.785 -3.625 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS B 84 11.178 -5.264 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 10.269 -3.496 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 9.322 -4.769 -4.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 9.169 -3.211 -3.550 1.00 0.00 H new ATOM 1102 N PRO B 85 7.119 -8.280 -0.752 1.00 0.00 N ATOM 1103 CA PRO B 85 6.509 -9.568 -1.103 1.00 0.00 C ATOM 1104 C PRO B 85 7.521 -10.572 -1.641 1.00 0.00 C ATOM 1105 O PRO B 85 7.900 -10.520 -2.812 1.00 0.00 O ATOM 1106 CB PRO B 85 5.512 -9.196 -2.195 1.00 0.00 C ATOM 1107 CG PRO B 85 5.115 -7.795 -1.882 1.00 0.00 C ATOM 1108 CD PRO B 85 6.320 -7.142 -1.253 1.00 0.00 C ATOM 0 HA PRO B 85 6.063 -10.052 -0.234 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.963 -9.268 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.650 -9.863 -2.188 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.814 -7.265 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.263 -7.775 -1.202 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.878 -6.550 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.034 -6.468 -0.445 1.00 0.00 H new ATOM 1116 N ALA B 86 7.953 -11.484 -0.782 1.00 0.00 N ATOM 1117 CA ALA B 86 8.920 -12.501 -1.175 1.00 0.00 C ATOM 1118 C ALA B 86 8.278 -13.883 -1.216 1.00 0.00 C ATOM 1119 O ALA B 86 7.118 -14.009 -0.772 1.00 0.00 O ATOM 1120 CB ALA B 86 10.110 -12.497 -0.226 1.00 0.00 C ATOM 1121 OXT ALA B 86 8.941 -14.828 -1.694 1.00 0.00 O ATOM 0 H ALA B 86 7.650 -11.541 0.190 1.00 0.00 H new ATOM 0 HA ALA B 86 9.271 -12.262 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.823 -13.262 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.593 -11.520 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.768 -12.706 0.788 1.00 0.00 H new TER 1127 ALA B 86