USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 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 52 ASN : amide:sc= 0.228 X(o=0.47,f=0.63) USER MOD Set 1.2: A 63 CYS SG : rot -65:sc= 0.172 USER MOD Set 1.3: A 90 CYS SG : rot 180:sc= 0.0741 USER MOD Set 2.1: A 43 TYR OH : rot 14:sc= 1.17 USER MOD Set 2.2: A 46 THR OG1 : rot -111:sc= 2.35 USER MOD Set 3.1: A 40 ASN : amide:sc= 1.02 K(o=0.89,f=-9.3!) USER MOD Set 3.2: A 120 MET CE :methyl -171:sc= -0.127 (180deg=-0.373) USER MOD Set 4.1: A 32 THR OG1 : rot 160:sc= 1.05 USER MOD Set 4.2: A 50 THR OG1 : rot -61:sc= 1.18 USER MOD Single : A 33 TYR OH : rot -167:sc= -0.0155 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -116:sc= -0.644 (180deg=-1.71) USER MOD Single : A 53 THR OG1 : rot -99:sc= 1.3 USER MOD Single : A 56 SER OG : rot -129:sc= 1.38 USER MOD Single : A 58 GLN : amide:sc= 0.016 X(o=0.016,f=-0.12) USER MOD Single : A 65 THR OG1 : rot -169:sc= 1.35 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.563 F(o=-1.7,f=-0.56) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 161:sc= -0.345 (180deg=-1.16) USER MOD Single : A 75 ASN : amide:sc= -2.55 X(o=-2.5,f=-2.1!) USER MOD Single : A 76 THR OG1 : rot 148:sc= -0.161 USER MOD Single : A 78 SER OG : rot -109:sc= 0.242 USER MOD Single : A 82 MET CE :methyl 155:sc= -1.72 (180deg=-3.29!) USER MOD Single : A 83 ASN : amide:sc= -0.0805 K(o=-0.08,f=-1.2) USER MOD Single : A 94 THR OG1 : rot 51:sc= 1.02 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00282 USER MOD Single : A 96 MET CE :methyl 157:sc= -0.0655 (180deg=-0.2) USER MOD Single : A 98 GLN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 103 HIS : no HE2:sc= -0.372 K(o=-0.37,f=-1) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN :FLIP amide:sc= -0.404 F(o=-1.3!,f=-0.4) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 121 SER OG : rot 100:sc= -0.742 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 27 -3.252 -16.807 8.326 1.00 0.00 N ATOM 26 CA GLU A 27 -2.233 -15.838 8.723 1.00 0.00 C ATOM 27 C GLU A 27 -0.853 -16.500 8.727 1.00 0.00 C ATOM 28 O GLU A 27 -0.619 -17.444 9.479 1.00 0.00 O ATOM 29 CB GLU A 27 -2.609 -15.207 10.079 1.00 0.00 C ATOM 30 CG GLU A 27 -1.559 -14.172 10.532 1.00 0.00 C ATOM 31 CD GLU A 27 -1.488 -13.827 12.018 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.259 -14.351 12.853 1.00 0.00 O ATOM 33 OE2 GLU A 27 -0.568 -13.054 12.364 1.00 0.00 O ATOM 0 HA GLU A 27 -2.186 -15.024 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.584 -14.727 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.699 -15.989 10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.578 -14.536 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.742 -13.248 9.983 1.00 0.00 H new ATOM 41 N LEU A 28 0.069 -16.004 7.887 1.00 0.00 N ATOM 42 CA LEU A 28 1.468 -16.449 7.852 1.00 0.00 C ATOM 43 C LEU A 28 2.484 -15.352 7.448 1.00 0.00 C ATOM 44 O LEU A 28 3.129 -15.436 6.400 1.00 0.00 O ATOM 45 CB LEU A 28 1.641 -17.753 7.045 1.00 0.00 C ATOM 46 CG LEU A 28 0.975 -17.954 5.663 1.00 0.00 C ATOM 47 CD1 LEU A 28 -0.544 -18.035 5.738 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.294 -16.912 4.594 1.00 0.00 C ATOM 0 H LEU A 28 -0.140 -15.274 7.206 1.00 0.00 H new ATOM 0 HA LEU A 28 1.720 -16.676 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.712 -17.895 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.294 -18.566 7.683 1.00 0.00 H new ATOM 0 HG LEU A 28 1.422 -18.901 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.951 -18.176 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.833 -18.876 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.937 -17.111 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.768 -17.163 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.974 -15.928 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.368 -16.899 4.407 1.00 0.00 H new ATOM 60 N PRO A 29 2.675 -14.297 8.254 1.00 0.00 N ATOM 61 CA PRO A 29 3.632 -13.234 7.966 1.00 0.00 C ATOM 62 C PRO A 29 5.093 -13.695 8.168 1.00 0.00 C ATOM 63 O PRO A 29 5.397 -14.336 9.181 1.00 0.00 O ATOM 64 CB PRO A 29 3.253 -12.080 8.900 1.00 0.00 C ATOM 65 CG PRO A 29 2.527 -12.753 10.065 1.00 0.00 C ATOM 66 CD PRO A 29 1.884 -13.977 9.420 1.00 0.00 C ATOM 0 HA PRO A 29 3.585 -12.929 6.921 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.136 -11.540 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.611 -11.357 8.397 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.217 -13.034 10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.781 -12.094 10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.864 -14.816 10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.851 -13.770 9.141 1.00 0.00 H new ATOM 74 N PRO A 30 6.020 -13.398 7.239 1.00 0.00 N ATOM 75 CA PRO A 30 7.461 -13.349 7.482 1.00 0.00 C ATOM 76 C PRO A 30 7.898 -12.071 8.206 1.00 0.00 C ATOM 77 O PRO A 30 8.901 -12.107 8.919 1.00 0.00 O ATOM 78 CB PRO A 30 8.106 -13.349 6.085 1.00 0.00 C ATOM 79 CG PRO A 30 7.044 -12.709 5.198 1.00 0.00 C ATOM 80 CD PRO A 30 5.757 -13.226 5.825 1.00 0.00 C ATOM 0 HA PRO A 30 7.756 -14.188 8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.035 -12.779 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.348 -14.359 5.755 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.099 -11.621 5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.143 -13.016 4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.940 -12.522 5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.457 -14.170 5.370 1.00 0.00 H new ATOM 88 N GLY A 31 7.200 -10.958 7.991 1.00 0.00 N ATOM 89 CA GLY A 31 7.646 -9.604 8.262 1.00 0.00 C ATOM 90 C GLY A 31 7.554 -8.764 6.983 1.00 0.00 C ATOM 91 O GLY A 31 6.703 -7.881 6.861 1.00 0.00 O ATOM 0 H GLY A 31 6.258 -10.984 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.033 -9.159 9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.673 -9.615 8.628 1.00 0.00 H new ATOM 95 N THR A 32 8.399 -9.063 5.996 1.00 0.00 N ATOM 96 CA THR A 32 8.494 -8.379 4.709 1.00 0.00 C ATOM 97 C THR A 32 8.580 -9.440 3.606 1.00 0.00 C ATOM 98 O THR A 32 9.002 -10.574 3.837 1.00 0.00 O ATOM 99 CB THR A 32 9.701 -7.407 4.737 1.00 0.00 C ATOM 100 OG1 THR A 32 9.436 -6.353 5.639 1.00 0.00 O ATOM 101 CG2 THR A 32 10.062 -6.736 3.402 1.00 0.00 C ATOM 0 H THR A 32 9.069 -9.828 6.078 1.00 0.00 H new ATOM 0 HA THR A 32 7.614 -7.769 4.504 1.00 0.00 H new ATOM 0 HB THR A 32 10.539 -8.044 5.021 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.279 -5.929 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.920 -6.080 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.309 -7.501 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.213 -6.151 3.047 1.00 0.00 H new ATOM 109 N TYR A 33 8.155 -9.087 2.395 1.00 0.00 N ATOM 110 CA TYR A 33 8.399 -9.818 1.157 1.00 0.00 C ATOM 111 C TYR A 33 8.763 -8.778 0.081 1.00 0.00 C ATOM 112 O TYR A 33 8.659 -7.578 0.346 1.00 0.00 O ATOM 113 CB TYR A 33 7.207 -10.748 0.832 1.00 0.00 C ATOM 114 CG TYR A 33 5.951 -10.138 0.229 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.416 -8.926 0.695 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.266 -10.823 -0.790 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.265 -8.367 0.127 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.165 -10.232 -1.432 1.00 0.00 C ATOM 119 CZ TYR A 33 3.704 -8.971 -1.011 1.00 0.00 C ATOM 120 OH TYR A 33 2.626 -8.409 -1.611 1.00 0.00 O ATOM 0 H TYR A 33 7.604 -8.242 2.245 1.00 0.00 H new ATOM 0 HA TYR A 33 9.240 -10.507 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.564 -11.516 0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.920 -11.253 1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.904 -8.413 1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.589 -11.812 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.815 -7.485 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.674 -10.744 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 33 2.237 -9.045 -2.247 1.00 0.00 H new ATOM 130 N ARG A 34 9.210 -9.184 -1.110 1.00 0.00 N ATOM 131 CA ARG A 34 9.743 -8.266 -2.117 1.00 0.00 C ATOM 132 C ARG A 34 9.173 -8.655 -3.463 1.00 0.00 C ATOM 133 O ARG A 34 9.376 -9.793 -3.888 1.00 0.00 O ATOM 134 CB ARG A 34 11.276 -8.306 -2.054 1.00 0.00 C ATOM 135 CG ARG A 34 11.984 -7.337 -3.008 1.00 0.00 C ATOM 136 CD ARG A 34 12.119 -7.881 -4.437 1.00 0.00 C ATOM 137 NE ARG A 34 13.163 -7.145 -5.165 1.00 0.00 N ATOM 138 CZ ARG A 34 13.194 -6.878 -6.474 1.00 0.00 C ATOM 139 NH1 ARG A 34 12.329 -7.424 -7.317 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.100 -6.035 -6.963 1.00 0.00 N ATOM 0 H ARG A 34 9.212 -10.161 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 34 9.450 -7.232 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.590 -8.084 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.608 -9.320 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.433 -6.397 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.976 -7.113 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.365 -8.942 -4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.167 -7.789 -4.960 1.00 0.00 H new ATOM 0 HE ARG A 34 13.948 -6.801 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.616 -8.066 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.376 -7.202 -8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.773 -5.591 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.122 -5.833 -7.963 1.00 0.00 H new ATOM 154 N VAL A 35 8.401 -7.758 -4.078 1.00 0.00 N ATOM 155 CA VAL A 35 7.442 -8.099 -5.131 1.00 0.00 C ATOM 156 C VAL A 35 7.141 -6.900 -6.044 1.00 0.00 C ATOM 157 O VAL A 35 7.669 -5.803 -5.842 1.00 0.00 O ATOM 158 CB VAL A 35 6.129 -8.592 -4.503 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.299 -9.814 -3.611 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.390 -7.505 -3.718 1.00 0.00 C ATOM 0 H VAL A 35 8.424 -6.763 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 35 7.891 -8.886 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 35 5.525 -8.877 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.331 -10.104 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.708 -10.638 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.980 -9.576 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.472 -7.918 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.026 -7.144 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.145 -6.678 -4.384 1.00 0.00 H new ATOM 170 N ASP A 36 6.205 -7.080 -6.985 1.00 0.00 N ATOM 171 CA ASP A 36 5.604 -6.039 -7.802 1.00 0.00 C ATOM 172 C ASP A 36 4.355 -5.552 -7.089 1.00 0.00 C ATOM 173 O ASP A 36 3.490 -6.347 -6.717 1.00 0.00 O ATOM 174 CB ASP A 36 5.219 -6.605 -9.170 1.00 0.00 C ATOM 175 CG ASP A 36 6.458 -6.828 -10.030 1.00 0.00 C ATOM 176 OD1 ASP A 36 6.719 -7.993 -10.396 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.231 -5.872 -10.260 1.00 0.00 O ATOM 0 H ASP A 36 5.834 -8.005 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 36 6.310 -5.221 -7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.685 -7.547 -9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.539 -5.919 -9.675 1.00 0.00 H new ATOM 183 N ILE A 37 4.237 -4.248 -6.889 1.00 0.00 N ATOM 184 CA ILE A 37 3.067 -3.604 -6.323 1.00 0.00 C ATOM 185 C ILE A 37 2.061 -3.467 -7.468 1.00 0.00 C ATOM 186 O ILE A 37 2.398 -2.936 -8.531 1.00 0.00 O ATOM 187 CB ILE A 37 3.473 -2.238 -5.731 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.505 -2.410 -4.591 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.249 -1.459 -5.218 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.149 -1.087 -4.166 1.00 0.00 C ATOM 0 H ILE A 37 4.979 -3.589 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 37 2.622 -4.176 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 37 3.932 -1.663 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.015 -2.863 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.284 -3.100 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.572 -0.502 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.557 -1.285 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.750 -2.037 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.863 -1.271 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.666 -0.644 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.377 -0.403 -3.814 1.00 0.00 H new ATOM 202 N TYR A 38 0.835 -3.940 -7.245 1.00 0.00 N ATOM 203 CA TYR A 38 -0.142 -4.209 -8.305 1.00 0.00 C ATOM 204 C TYR A 38 -1.535 -3.665 -7.924 1.00 0.00 C ATOM 205 O TYR A 38 -2.436 -4.417 -7.534 1.00 0.00 O ATOM 206 CB TYR A 38 -0.096 -5.716 -8.635 1.00 0.00 C ATOM 207 CG TYR A 38 0.351 -6.039 -10.051 1.00 0.00 C ATOM 208 CD1 TYR A 38 -0.491 -5.824 -11.167 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.647 -6.551 -10.242 1.00 0.00 C ATOM 210 CE1 TYR A 38 -0.013 -6.109 -12.463 1.00 0.00 C ATOM 211 CE2 TYR A 38 2.119 -6.842 -11.528 1.00 0.00 C ATOM 212 CZ TYR A 38 1.296 -6.612 -12.648 1.00 0.00 C ATOM 213 OH TYR A 38 1.795 -6.846 -13.890 1.00 0.00 O ATOM 0 H TYR A 38 0.486 -4.151 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 38 0.109 -3.675 -9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.578 -6.208 -7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.087 -6.140 -8.475 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.492 -5.444 -11.028 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.285 -6.722 -9.388 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.650 -5.942 -13.319 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.113 -7.242 -11.661 1.00 0.00 H new ATOM 0 HH TYR A 38 2.710 -7.189 -13.816 1.00 0.00 H new ATOM 223 N LEU A 39 -1.710 -2.340 -8.005 1.00 0.00 N ATOM 224 CA LEU A 39 -2.938 -1.628 -7.631 1.00 0.00 C ATOM 225 C LEU A 39 -3.832 -1.440 -8.829 1.00 0.00 C ATOM 226 O LEU A 39 -3.378 -1.161 -9.936 1.00 0.00 O ATOM 227 CB LEU A 39 -2.626 -0.255 -7.010 1.00 0.00 C ATOM 228 CG LEU A 39 -3.823 0.706 -6.760 1.00 0.00 C ATOM 229 CD1 LEU A 39 -4.262 1.587 -7.933 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.933 0.163 -5.872 1.00 0.00 C ATOM 0 H LEU A 39 -0.978 -1.715 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.450 -2.239 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.124 -0.423 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.915 0.255 -7.660 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.361 1.455 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.104 2.208 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.433 2.225 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.562 0.956 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.715 0.915 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.353 -0.736 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.527 -0.080 -4.890 1.00 0.00 H new ATOM 242 N ASN A 40 -5.129 -1.487 -8.556 1.00 0.00 N ATOM 243 CA ASN A 40 -6.231 -1.423 -9.476 1.00 0.00 C ATOM 244 C ASN A 40 -5.928 -2.297 -10.674 1.00 0.00 C ATOM 245 O ASN A 40 -6.001 -1.869 -11.825 1.00 0.00 O ATOM 246 CB ASN A 40 -6.712 -0.005 -9.828 1.00 0.00 C ATOM 247 CG ASN A 40 -7.474 0.638 -8.683 1.00 0.00 C ATOM 248 OD1 ASN A 40 -7.802 -0.023 -7.708 1.00 0.00 O ATOM 249 ND2 ASN A 40 -7.761 1.918 -8.758 1.00 0.00 N ATOM 0 H ASN A 40 -5.454 -1.579 -7.594 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.107 -1.825 -8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.854 0.615 -10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.351 -0.047 -10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.264 2.373 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.481 2.456 -9.578 1.00 0.00 H new ATOM 256 N ASN A 41 -5.494 -3.520 -10.376 1.00 0.00 N ATOM 257 CA ASN A 41 -5.142 -4.545 -11.340 1.00 0.00 C ATOM 258 C ASN A 41 -4.006 -4.140 -12.293 1.00 0.00 C ATOM 259 O ASN A 41 -3.915 -4.695 -13.387 1.00 0.00 O ATOM 260 CB ASN A 41 -6.400 -5.006 -12.089 1.00 0.00 C ATOM 261 CG ASN A 41 -7.505 -5.463 -11.145 1.00 0.00 C ATOM 262 OD1 ASN A 41 -7.454 -6.571 -10.629 1.00 0.00 O ATOM 263 ND2 ASN A 41 -8.507 -4.638 -10.885 1.00 0.00 N ATOM 0 H ASN A 41 -5.375 -3.831 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.735 -5.388 -10.782 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.770 -4.189 -12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.140 -5.823 -12.762 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.250 -4.923 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.536 -3.717 -11.323 1.00 0.00 H new ATOM 270 N GLY A 42 -3.142 -3.183 -11.932 1.00 0.00 N ATOM 271 CA GLY A 42 -2.057 -2.712 -12.788 1.00 0.00 C ATOM 272 C GLY A 42 -0.805 -2.399 -11.976 1.00 0.00 C ATOM 273 O GLY A 42 -0.859 -2.265 -10.753 1.00 0.00 O ATOM 0 H GLY A 42 -3.181 -2.712 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.827 -3.470 -13.537 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.377 -1.819 -13.326 1.00 0.00 H new ATOM 277 N TYR A 43 0.334 -2.336 -12.656 1.00 0.00 N ATOM 278 CA TYR A 43 1.642 -2.210 -12.036 1.00 0.00 C ATOM 279 C TYR A 43 1.899 -0.785 -11.541 1.00 0.00 C ATOM 280 O TYR A 43 1.461 0.189 -12.156 1.00 0.00 O ATOM 281 CB TYR A 43 2.685 -2.620 -13.072 1.00 0.00 C ATOM 282 CG TYR A 43 4.111 -2.398 -12.623 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.675 -3.225 -11.638 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.854 -1.323 -13.145 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.993 -3.007 -11.213 1.00 0.00 C ATOM 286 CE2 TYR A 43 6.173 -1.098 -12.719 1.00 0.00 C ATOM 287 CZ TYR A 43 6.763 -1.967 -11.776 1.00 0.00 C ATOM 288 OH TYR A 43 8.066 -1.797 -11.419 1.00 0.00 O ATOM 0 H TYR A 43 0.372 -2.372 -13.675 1.00 0.00 H new ATOM 0 HA TYR A 43 1.697 -2.855 -11.159 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.550 -3.675 -13.312 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.512 -2.059 -13.990 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.094 -4.028 -11.209 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.407 -0.667 -13.878 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.422 -3.639 -10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.734 -0.263 -13.112 1.00 0.00 H new ATOM 0 HH TYR A 43 8.381 -2.593 -10.943 1.00 0.00 H new ATOM 298 N MET A 44 2.667 -0.671 -10.451 1.00 0.00 N ATOM 299 CA MET A 44 2.999 0.610 -9.817 1.00 0.00 C ATOM 300 C MET A 44 4.491 0.827 -9.628 1.00 0.00 C ATOM 301 O MET A 44 4.994 1.923 -9.870 1.00 0.00 O ATOM 302 CB MET A 44 2.305 0.694 -8.448 1.00 0.00 C ATOM 303 CG MET A 44 0.793 0.687 -8.604 1.00 0.00 C ATOM 304 SD MET A 44 0.262 2.096 -9.590 1.00 0.00 S ATOM 305 CE MET A 44 -1.290 1.455 -10.195 1.00 0.00 C ATOM 0 H MET A 44 3.080 -1.475 -9.979 1.00 0.00 H new ATOM 0 HA MET A 44 2.647 1.391 -10.491 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.614 -0.147 -7.827 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.617 1.602 -7.933 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.474 -0.240 -9.080 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.319 0.721 -7.623 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.245 1.356 -11.280 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.479 0.479 -9.749 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.095 2.139 -9.927 1.00 0.00 H new ATOM 315 N ALA A 45 5.163 -0.182 -9.088 1.00 0.00 N ATOM 316 CA ALA A 45 6.587 -0.206 -8.767 1.00 0.00 C ATOM 317 C ALA A 45 6.926 -1.623 -8.302 1.00 0.00 C ATOM 318 O ALA A 45 6.022 -2.426 -8.060 1.00 0.00 O ATOM 319 CB ALA A 45 6.911 0.808 -7.654 1.00 0.00 C ATOM 0 H ALA A 45 4.702 -1.059 -8.847 1.00 0.00 H new ATOM 0 HA ALA A 45 7.176 0.067 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.977 0.774 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.642 1.811 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.344 0.558 -6.757 1.00 0.00 H new ATOM 325 N THR A 46 8.205 -1.913 -8.098 1.00 0.00 N ATOM 326 CA THR A 46 8.681 -3.170 -7.540 1.00 0.00 C ATOM 327 C THR A 46 9.486 -2.790 -6.304 1.00 0.00 C ATOM 328 O THR A 46 10.498 -2.105 -6.443 1.00 0.00 O ATOM 329 CB THR A 46 9.522 -3.921 -8.584 1.00 0.00 C ATOM 330 OG1 THR A 46 8.906 -3.904 -9.863 1.00 0.00 O ATOM 331 CG2 THR A 46 9.788 -5.365 -8.160 1.00 0.00 C ATOM 0 H THR A 46 8.958 -1.263 -8.322 1.00 0.00 H new ATOM 0 HA THR A 46 7.870 -3.846 -7.268 1.00 0.00 H new ATOM 0 HB THR A 46 10.475 -3.396 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.601 -4.807 -10.091 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.385 -5.864 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.329 -5.373 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.840 -5.890 -8.041 1.00 0.00 H new ATOM 339 N ARG A 47 9.027 -3.158 -5.104 1.00 0.00 N ATOM 340 CA ARG A 47 9.697 -2.803 -3.851 1.00 0.00 C ATOM 341 C ARG A 47 9.590 -3.962 -2.866 1.00 0.00 C ATOM 342 O ARG A 47 8.744 -4.850 -3.023 1.00 0.00 O ATOM 343 CB ARG A 47 9.098 -1.515 -3.242 1.00 0.00 C ATOM 344 CG ARG A 47 9.219 -0.248 -4.111 1.00 0.00 C ATOM 345 CD ARG A 47 10.684 0.173 -4.285 1.00 0.00 C ATOM 346 NE ARG A 47 10.852 1.266 -5.255 1.00 0.00 N ATOM 347 CZ ARG A 47 12.045 1.691 -5.694 1.00 0.00 C ATOM 348 NH1 ARG A 47 13.174 1.161 -5.252 1.00 0.00 N ATOM 349 NH2 ARG A 47 12.150 2.684 -6.559 1.00 0.00 N ATOM 0 H ARG A 47 8.180 -3.711 -4.975 1.00 0.00 H new ATOM 0 HA ARG A 47 10.748 -2.609 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.043 -1.690 -3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.586 -1.326 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.773 -0.431 -5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.657 0.565 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.085 0.485 -3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.268 -0.688 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 47 10.015 1.726 -5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.149 0.411 -4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.069 1.502 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.311 3.147 -6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.070 2.988 -6.877 1.00 0.00 H new ATOM 363 N ASP A 48 10.400 -3.906 -1.811 1.00 0.00 N ATOM 364 CA ASP A 48 10.111 -4.596 -0.560 1.00 0.00 C ATOM 365 C ASP A 48 8.797 -4.030 -0.022 1.00 0.00 C ATOM 366 O ASP A 48 8.423 -2.882 -0.290 1.00 0.00 O ATOM 367 CB ASP A 48 11.255 -4.514 0.460 1.00 0.00 C ATOM 368 CG ASP A 48 12.515 -5.233 -0.027 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.166 -4.669 -0.931 1.00 0.00 O ATOM 370 OD2 ASP A 48 12.894 -6.276 0.554 1.00 0.00 O ATOM 0 H ASP A 48 11.274 -3.381 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 48 10.011 -5.665 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.489 -3.468 0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.930 -4.952 1.404 1.00 0.00 H new ATOM 376 N VAL A 49 8.077 -4.848 0.731 1.00 0.00 N ATOM 377 CA VAL A 49 6.794 -4.514 1.311 1.00 0.00 C ATOM 378 C VAL A 49 6.686 -5.286 2.616 1.00 0.00 C ATOM 379 O VAL A 49 6.737 -6.514 2.641 1.00 0.00 O ATOM 380 CB VAL A 49 5.628 -4.788 0.335 1.00 0.00 C ATOM 381 CG1 VAL A 49 5.888 -5.887 -0.684 1.00 0.00 C ATOM 382 CG2 VAL A 49 4.270 -4.874 1.053 1.00 0.00 C ATOM 0 H VAL A 49 8.384 -5.793 0.960 1.00 0.00 H new ATOM 0 HA VAL A 49 6.723 -3.445 1.514 1.00 0.00 H new ATOM 0 HB VAL A 49 5.565 -3.902 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.013 -6.005 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.750 -5.620 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.087 -6.825 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.484 -5.068 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.295 -5.683 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.068 -3.932 1.563 1.00 0.00 H new ATOM 392 N THR A 50 6.525 -4.555 3.700 1.00 0.00 N ATOM 393 CA THR A 50 6.282 -5.077 5.026 1.00 0.00 C ATOM 394 C THR A 50 4.769 -5.236 5.164 1.00 0.00 C ATOM 395 O THR A 50 4.000 -4.409 4.666 1.00 0.00 O ATOM 396 CB THR A 50 6.916 -4.104 6.031 1.00 0.00 C ATOM 397 OG1 THR A 50 8.250 -3.868 5.641 1.00 0.00 O ATOM 398 CG2 THR A 50 6.926 -4.610 7.469 1.00 0.00 C ATOM 0 H THR A 50 6.562 -3.536 3.678 1.00 0.00 H new ATOM 0 HA THR A 50 6.731 -6.052 5.215 1.00 0.00 H new ATOM 0 HB THR A 50 6.305 -3.201 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.748 -4.712 5.650 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.390 -3.864 8.114 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.903 -4.789 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.492 -5.540 7.524 1.00 0.00 H new ATOM 406 N PHE A 51 4.297 -6.306 5.788 1.00 0.00 N ATOM 407 CA PHE A 51 2.910 -6.484 6.175 1.00 0.00 C ATOM 408 C PHE A 51 2.888 -7.188 7.526 1.00 0.00 C ATOM 409 O PHE A 51 3.796 -7.954 7.834 1.00 0.00 O ATOM 410 CB PHE A 51 2.163 -7.283 5.103 1.00 0.00 C ATOM 411 CG PHE A 51 2.830 -8.572 4.686 1.00 0.00 C ATOM 412 CD1 PHE A 51 3.987 -8.575 3.885 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.301 -9.780 5.153 1.00 0.00 C ATOM 414 CE1 PHE A 51 4.611 -9.797 3.579 1.00 0.00 C ATOM 415 CE2 PHE A 51 2.862 -11.006 4.744 1.00 0.00 C ATOM 416 CZ PHE A 51 4.018 -11.006 3.953 1.00 0.00 C ATOM 0 H PHE A 51 4.889 -7.096 6.045 1.00 0.00 H new ATOM 0 HA PHE A 51 2.404 -5.523 6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.163 -7.512 5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.040 -6.653 4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.392 -7.647 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.459 -9.773 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.554 -9.802 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.404 -11.939 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.452 -11.941 3.632 1.00 0.00 H new ATOM 426 N ASN A 52 1.870 -6.906 8.333 1.00 0.00 N ATOM 427 CA ASN A 52 1.821 -7.259 9.751 1.00 0.00 C ATOM 428 C ASN A 52 0.384 -7.602 10.085 1.00 0.00 C ATOM 429 O ASN A 52 -0.517 -7.247 9.321 1.00 0.00 O ATOM 430 CB ASN A 52 2.213 -6.086 10.663 1.00 0.00 C ATOM 431 CG ASN A 52 3.481 -5.346 10.278 1.00 0.00 C ATOM 432 OD1 ASN A 52 4.532 -5.461 10.898 1.00 0.00 O ATOM 433 ND2 ASN A 52 3.391 -4.527 9.246 1.00 0.00 N ATOM 0 H ASN A 52 1.036 -6.414 8.013 1.00 0.00 H new ATOM 0 HA ASN A 52 2.518 -8.081 9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.389 -5.372 10.680 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.329 -6.463 11.679 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.202 -3.981 8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.510 -4.441 8.739 1.00 0.00 H new ATOM 440 N THR A 53 0.157 -8.254 11.217 1.00 0.00 N ATOM 441 CA THR A 53 -1.156 -8.748 11.575 1.00 0.00 C ATOM 442 C THR A 53 -2.126 -7.578 11.831 1.00 0.00 C ATOM 443 O THR A 53 -1.876 -6.683 12.648 1.00 0.00 O ATOM 444 CB THR A 53 -1.044 -9.715 12.759 1.00 0.00 C ATOM 445 OG1 THR A 53 0.111 -10.540 12.660 1.00 0.00 O ATOM 446 CG2 THR A 53 -2.281 -10.597 12.838 1.00 0.00 C ATOM 0 H THR A 53 0.880 -8.453 11.909 1.00 0.00 H new ATOM 0 HA THR A 53 -1.578 -9.313 10.744 1.00 0.00 H new ATOM 0 HB THR A 53 -0.959 -9.111 13.662 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.143 -11.416 12.302 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.188 -11.279 13.683 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.165 -9.973 12.970 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.377 -11.172 11.917 1.00 0.00 H new ATOM 454 N GLY A 54 -3.263 -7.597 11.144 1.00 0.00 N ATOM 455 CA GLY A 54 -4.404 -6.722 11.310 1.00 0.00 C ATOM 456 C GLY A 54 -5.648 -7.523 10.975 1.00 0.00 C ATOM 457 O GLY A 54 -5.893 -8.547 11.615 1.00 0.00 O ATOM 0 H GLY A 54 -3.416 -8.279 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.454 -6.347 12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.320 -5.854 10.656 1.00 0.00 H new ATOM 461 N ASP A 55 -6.412 -7.072 9.982 1.00 0.00 N ATOM 462 CA ASP A 55 -7.714 -7.630 9.630 1.00 0.00 C ATOM 463 C ASP A 55 -7.790 -7.812 8.119 1.00 0.00 C ATOM 464 O ASP A 55 -7.977 -6.837 7.386 1.00 0.00 O ATOM 465 CB ASP A 55 -8.824 -6.695 10.126 1.00 0.00 C ATOM 466 CG ASP A 55 -10.203 -7.078 9.575 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.456 -8.270 9.303 1.00 0.00 O ATOM 468 OD2 ASP A 55 -11.029 -6.163 9.350 1.00 0.00 O ATOM 0 H ASP A 55 -6.136 -6.291 9.387 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.846 -8.602 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.853 -6.716 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.591 -5.671 9.833 1.00 0.00 H new ATOM 474 N SER A 56 -7.626 -9.042 7.640 1.00 0.00 N ATOM 475 CA SER A 56 -7.855 -9.376 6.245 1.00 0.00 C ATOM 476 C SER A 56 -8.175 -10.864 6.100 1.00 0.00 C ATOM 477 O SER A 56 -8.211 -11.606 7.084 1.00 0.00 O ATOM 478 CB SER A 56 -6.637 -8.957 5.399 1.00 0.00 C ATOM 479 OG SER A 56 -5.525 -9.806 5.629 1.00 0.00 O ATOM 0 H SER A 56 -7.330 -9.833 8.212 1.00 0.00 H new ATOM 0 HA SER A 56 -8.719 -8.825 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.902 -8.981 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.365 -7.928 5.636 1.00 0.00 H new ATOM 0 HG SER A 56 -4.735 -9.263 5.831 1.00 0.00 H new ATOM 485 N GLU A 57 -8.293 -11.308 4.851 1.00 0.00 N ATOM 486 CA GLU A 57 -8.227 -12.700 4.420 1.00 0.00 C ATOM 487 C GLU A 57 -7.107 -13.491 5.059 1.00 0.00 C ATOM 488 O GLU A 57 -7.286 -14.670 5.354 1.00 0.00 O ATOM 489 CB GLU A 57 -8.018 -12.753 2.907 1.00 0.00 C ATOM 490 CG GLU A 57 -6.941 -11.833 2.291 1.00 0.00 C ATOM 491 CD GLU A 57 -7.097 -11.727 0.772 1.00 0.00 C ATOM 492 OE1 GLU A 57 -7.486 -10.646 0.279 1.00 0.00 O ATOM 493 OE2 GLU A 57 -6.810 -12.725 0.058 1.00 0.00 O ATOM 0 H GLU A 57 -8.446 -10.670 4.070 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.171 -13.150 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.772 -13.781 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.970 -12.519 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.011 -10.840 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.950 -12.220 2.530 1.00 0.00 H new ATOM 501 N GLN A 58 -5.947 -12.867 5.225 1.00 0.00 N ATOM 502 CA GLN A 58 -4.804 -13.514 5.826 1.00 0.00 C ATOM 503 C GLN A 58 -4.582 -12.979 7.241 1.00 0.00 C ATOM 504 O GLN A 58 -3.556 -13.248 7.843 1.00 0.00 O ATOM 505 CB GLN A 58 -3.581 -13.403 4.900 1.00 0.00 C ATOM 506 CG GLN A 58 -3.702 -14.300 3.664 1.00 0.00 C ATOM 507 CD GLN A 58 -2.398 -14.374 2.874 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.399 -14.940 3.301 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.376 -13.857 1.656 1.00 0.00 N ATOM 0 H GLN A 58 -5.780 -11.901 4.945 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.987 -14.582 5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.461 -12.367 4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.683 -13.673 5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.995 -15.303 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.495 -13.921 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.201 -13.383 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.534 -13.932 1.085 1.00 0.00 H new ATOM 518 N GLY A 59 -5.494 -12.174 7.788 1.00 0.00 N ATOM 519 CA GLY A 59 -5.275 -11.478 9.041 1.00 0.00 C ATOM 520 C GLY A 59 -4.066 -10.545 8.995 1.00 0.00 C ATOM 521 O GLY A 59 -3.668 -10.080 10.051 1.00 0.00 O ATOM 0 H GLY A 59 -6.405 -11.991 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.165 -10.900 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.135 -12.208 9.838 1.00 0.00 H new ATOM 525 N ILE A 60 -3.475 -10.249 7.833 1.00 0.00 N ATOM 526 CA ILE A 60 -2.286 -9.407 7.671 1.00 0.00 C ATOM 527 C ILE A 60 -2.550 -8.310 6.654 1.00 0.00 C ATOM 528 O ILE A 60 -3.237 -8.528 5.651 1.00 0.00 O ATOM 529 CB ILE A 60 -1.046 -10.202 7.212 1.00 0.00 C ATOM 530 CG1 ILE A 60 -1.407 -11.271 6.167 1.00 0.00 C ATOM 531 CG2 ILE A 60 -0.277 -10.805 8.388 1.00 0.00 C ATOM 532 CD1 ILE A 60 -0.275 -11.716 5.255 1.00 0.00 C ATOM 0 H ILE A 60 -3.826 -10.604 6.944 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.078 -8.985 8.654 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.379 -9.487 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.793 -12.147 6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.217 -10.887 5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.587 -11.355 8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.059 -10.007 9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.928 -11.483 8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.643 -12.470 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.100 -10.859 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.531 -12.138 5.855 1.00 0.00 H new ATOM 544 N VAL A 61 -1.945 -7.150 6.869 1.00 0.00 N ATOM 545 CA VAL A 61 -2.222 -5.941 6.118 1.00 0.00 C ATOM 546 C VAL A 61 -0.913 -5.191 5.858 1.00 0.00 C ATOM 547 O VAL A 61 -0.034 -5.175 6.733 1.00 0.00 O ATOM 548 CB VAL A 61 -3.259 -5.116 6.907 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.612 -5.850 6.905 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.819 -4.851 8.365 1.00 0.00 C ATOM 0 H VAL A 61 -1.232 -7.024 7.588 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.648 -6.159 5.138 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.349 -4.149 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.344 -5.266 7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.956 -5.977 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.496 -6.828 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.584 -4.267 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.682 -5.801 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.879 -4.298 8.367 1.00 0.00 H new ATOM 560 N PRO A 62 -0.735 -4.567 4.682 1.00 0.00 N ATOM 561 CA PRO A 62 0.550 -4.002 4.312 1.00 0.00 C ATOM 562 C PRO A 62 0.825 -2.682 5.042 1.00 0.00 C ATOM 563 O PRO A 62 -0.072 -1.914 5.415 1.00 0.00 O ATOM 564 CB PRO A 62 0.500 -3.861 2.789 1.00 0.00 C ATOM 565 CG PRO A 62 -0.981 -3.602 2.514 1.00 0.00 C ATOM 566 CD PRO A 62 -1.670 -4.467 3.568 1.00 0.00 C ATOM 0 HA PRO A 62 1.383 -4.638 4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.125 -3.039 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 62 0.851 -4.763 2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.236 -2.548 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.263 -3.894 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.610 -4.017 3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.908 -5.453 3.169 1.00 0.00 H new ATOM 574 N CYS A 63 2.112 -2.427 5.230 1.00 0.00 N ATOM 575 CA CYS A 63 2.707 -1.142 5.517 1.00 0.00 C ATOM 576 C CYS A 63 2.661 -0.352 4.214 1.00 0.00 C ATOM 577 O CYS A 63 3.401 -0.668 3.282 1.00 0.00 O ATOM 578 CB CYS A 63 4.148 -1.392 5.982 1.00 0.00 C ATOM 579 SG CYS A 63 4.277 -2.004 7.668 1.00 0.00 S ATOM 0 H CYS A 63 2.811 -3.168 5.181 1.00 0.00 H new ATOM 0 HA CYS A 63 2.189 -0.586 6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.617 -2.110 5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.712 -0.463 5.900 1.00 0.00 H new ATOM 0 HG CYS A 63 3.861 -1.091 8.494 1.00 0.00 H new ATOM 585 N LEU A 64 1.759 0.623 4.116 1.00 0.00 N ATOM 586 CA LEU A 64 1.639 1.552 2.996 1.00 0.00 C ATOM 587 C LEU A 64 1.383 2.906 3.641 1.00 0.00 C ATOM 588 O LEU A 64 0.623 2.961 4.611 1.00 0.00 O ATOM 589 CB LEU A 64 0.452 1.205 2.076 1.00 0.00 C ATOM 590 CG LEU A 64 0.453 -0.204 1.461 1.00 0.00 C ATOM 591 CD1 LEU A 64 -0.870 -0.472 0.741 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.588 -0.425 0.458 1.00 0.00 C ATOM 0 H LEU A 64 1.065 0.793 4.844 1.00 0.00 H new ATOM 0 HA LEU A 64 2.534 1.522 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.469 1.329 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.425 1.932 1.264 1.00 0.00 H new ATOM 0 HG LEU A 64 0.596 -0.890 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.854 -1.473 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.693 -0.396 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.007 0.262 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.531 -1.439 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.495 0.290 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.547 -0.284 0.957 1.00 0.00 H new ATOM 604 N THR A 65 1.992 3.978 3.140 1.00 0.00 N ATOM 605 CA THR A 65 1.884 5.296 3.757 1.00 0.00 C ATOM 606 C THR A 65 1.314 6.307 2.774 1.00 0.00 C ATOM 607 O THR A 65 1.111 5.967 1.613 1.00 0.00 O ATOM 608 CB THR A 65 3.242 5.708 4.319 1.00 0.00 C ATOM 609 OG1 THR A 65 4.204 5.850 3.292 1.00 0.00 O ATOM 610 CG2 THR A 65 3.734 4.652 5.297 1.00 0.00 C ATOM 0 H THR A 65 2.571 3.958 2.300 1.00 0.00 H new ATOM 0 HA THR A 65 1.183 5.259 4.591 1.00 0.00 H new ATOM 0 HB THR A 65 3.115 6.668 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.096 5.939 3.689 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.704 4.949 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.020 4.552 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.831 3.696 4.782 1.00 0.00 H new ATOM 618 N ARG A 66 1.033 7.547 3.193 1.00 0.00 N ATOM 619 CA ARG A 66 0.400 8.537 2.313 1.00 0.00 C ATOM 620 C ARG A 66 1.220 8.731 1.045 1.00 0.00 C ATOM 621 O ARG A 66 0.685 8.613 -0.060 1.00 0.00 O ATOM 622 CB ARG A 66 0.228 9.883 3.033 1.00 0.00 C ATOM 623 CG ARG A 66 -0.503 9.751 4.370 1.00 0.00 C ATOM 624 CD ARG A 66 -1.053 11.100 4.826 1.00 0.00 C ATOM 625 NE ARG A 66 -0.051 12.176 4.852 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.349 13.481 4.875 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.626 13.851 4.965 1.00 0.00 N ATOM 628 NH2 ARG A 66 0.615 14.397 4.811 1.00 0.00 N ATOM 0 H ARG A 66 1.233 7.888 4.133 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.586 8.159 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.209 10.327 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.324 10.567 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.319 9.035 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.179 9.358 5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.867 11.392 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.478 10.989 5.823 1.00 0.00 H new ATOM 0 HE ARG A 66 0.934 11.911 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.359 13.144 5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.870 14.841 4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.591 14.107 4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.378 15.389 4.829 1.00 0.00 H new ATOM 642 N ALA A 67 2.519 8.972 1.218 1.00 0.00 N ATOM 643 CA ALA A 67 3.472 9.122 0.136 1.00 0.00 C ATOM 644 C ALA A 67 3.508 7.910 -0.792 1.00 0.00 C ATOM 645 O ALA A 67 3.712 8.065 -1.998 1.00 0.00 O ATOM 646 CB ALA A 67 4.856 9.307 0.742 1.00 0.00 C ATOM 0 H ALA A 67 2.942 9.070 2.141 1.00 0.00 H new ATOM 0 HA ALA A 67 3.167 9.982 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.590 9.422 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.862 10.197 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.109 8.435 1.345 1.00 0.00 H new ATOM 652 N GLN A 68 3.378 6.700 -0.243 1.00 0.00 N ATOM 653 CA GLN A 68 3.419 5.486 -1.041 1.00 0.00 C ATOM 654 C GLN A 68 2.099 5.301 -1.785 1.00 0.00 C ATOM 655 O GLN A 68 2.099 5.093 -2.994 1.00 0.00 O ATOM 656 CB GLN A 68 3.762 4.271 -0.159 1.00 0.00 C ATOM 657 CG GLN A 68 4.842 3.413 -0.838 1.00 0.00 C ATOM 658 CD GLN A 68 6.205 4.101 -0.996 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.615 4.955 -0.069 1.00 0.00 O flip ATOM 660 NE2 GLN A 68 6.895 3.886 -1.987 1.00 0.00 N flip ATOM 0 H GLN A 68 3.243 6.541 0.756 1.00 0.00 H new ATOM 0 HA GLN A 68 4.208 5.574 -1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.114 4.608 0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.867 3.673 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.977 2.499 -0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.484 3.116 -1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.576 3.228 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.788 4.365 -2.100 1.00 0.00 H new ATOM 669 N LEU A 69 0.976 5.420 -1.079 1.00 0.00 N ATOM 670 CA LEU A 69 -0.375 5.234 -1.592 1.00 0.00 C ATOM 671 C LEU A 69 -0.625 6.164 -2.780 1.00 0.00 C ATOM 672 O LEU A 69 -1.180 5.753 -3.802 1.00 0.00 O ATOM 673 CB LEU A 69 -1.412 5.437 -0.474 1.00 0.00 C ATOM 674 CG LEU A 69 -1.452 4.330 0.599 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.404 4.741 1.724 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.925 2.991 0.036 1.00 0.00 C ATOM 0 H LEU A 69 0.987 5.660 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.481 4.209 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.210 6.389 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.400 5.516 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.434 4.207 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.431 3.958 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.055 5.670 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.405 4.888 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.935 2.245 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.930 3.102 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.247 2.669 -0.755 1.00 0.00 H new ATOM 688 N ALA A 70 -0.192 7.416 -2.666 1.00 0.00 N ATOM 689 CA ALA A 70 -0.234 8.425 -3.715 1.00 0.00 C ATOM 690 C ALA A 70 0.591 8.063 -4.955 1.00 0.00 C ATOM 691 O ALA A 70 0.335 8.607 -6.032 1.00 0.00 O ATOM 692 CB ALA A 70 0.278 9.736 -3.127 1.00 0.00 C ATOM 0 H ALA A 70 0.216 7.769 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.267 8.505 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.257 10.511 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.357 10.033 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.301 9.602 -2.774 1.00 0.00 H new ATOM 698 N SER A 71 1.557 7.147 -4.846 1.00 0.00 N ATOM 699 CA SER A 71 2.288 6.601 -5.980 1.00 0.00 C ATOM 700 C SER A 71 1.344 5.728 -6.812 1.00 0.00 C ATOM 701 O SER A 71 1.235 5.945 -8.015 1.00 0.00 O ATOM 702 CB SER A 71 3.536 5.848 -5.487 1.00 0.00 C ATOM 703 OG SER A 71 4.628 6.044 -6.366 1.00 0.00 O ATOM 0 H SER A 71 1.854 6.761 -3.950 1.00 0.00 H new ATOM 0 HA SER A 71 2.647 7.400 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.802 6.193 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.315 4.784 -5.408 1.00 0.00 H new ATOM 0 HG SER A 71 5.410 5.557 -6.030 1.00 0.00 H new ATOM 709 N MET A 72 0.567 4.833 -6.185 1.00 0.00 N ATOM 710 CA MET A 72 -0.545 4.143 -6.834 1.00 0.00 C ATOM 711 C MET A 72 -1.751 5.050 -7.098 1.00 0.00 C ATOM 712 O MET A 72 -2.758 4.617 -7.654 1.00 0.00 O ATOM 713 CB MET A 72 -0.967 2.899 -6.056 1.00 0.00 C ATOM 714 CG MET A 72 0.155 2.103 -5.383 1.00 0.00 C ATOM 715 SD MET A 72 0.469 2.574 -3.671 1.00 0.00 S ATOM 716 CE MET A 72 1.955 1.627 -3.264 1.00 0.00 C ATOM 0 H MET A 72 0.697 4.570 -5.208 1.00 0.00 H new ATOM 0 HA MET A 72 -0.168 3.832 -7.808 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.679 3.202 -5.288 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.497 2.233 -6.737 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.096 1.043 -5.416 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.072 2.232 -5.958 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.438 2.065 -2.391 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.680 0.595 -3.047 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.643 1.649 -4.109 1.00 0.00 H new ATOM 726 N GLY A 73 -1.675 6.316 -6.711 1.00 0.00 N ATOM 727 CA GLY A 73 -2.598 7.338 -7.186 1.00 0.00 C ATOM 728 C GLY A 73 -3.792 7.540 -6.264 1.00 0.00 C ATOM 729 O GLY A 73 -4.860 7.912 -6.738 1.00 0.00 O ATOM 0 H GLY A 73 -0.972 6.664 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.063 8.282 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.955 7.063 -8.178 1.00 0.00 H new ATOM 733 N LEU A 74 -3.654 7.258 -4.969 1.00 0.00 N ATOM 734 CA LEU A 74 -4.711 7.365 -3.964 1.00 0.00 C ATOM 735 C LEU A 74 -4.774 8.759 -3.349 1.00 0.00 C ATOM 736 O LEU A 74 -3.765 9.330 -2.930 1.00 0.00 O ATOM 737 CB LEU A 74 -4.414 6.299 -2.925 1.00 0.00 C ATOM 738 CG LEU A 74 -5.134 6.277 -1.573 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.507 7.239 -0.572 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.650 6.383 -1.491 1.00 0.00 C ATOM 0 H LEU A 74 -2.769 6.937 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.692 7.210 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.599 5.335 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.346 6.351 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.966 5.230 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.051 7.188 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.466 6.963 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.555 8.255 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.961 6.348 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.973 7.325 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.103 5.552 -2.032 1.00 0.00 H new ATOM 752 N ASN A 75 -5.988 9.297 -3.252 1.00 0.00 N ATOM 753 CA ASN A 75 -6.255 10.620 -2.731 1.00 0.00 C ATOM 754 C ASN A 75 -6.275 10.590 -1.215 1.00 0.00 C ATOM 755 O ASN A 75 -7.319 10.402 -0.593 1.00 0.00 O ATOM 756 CB ASN A 75 -7.579 11.201 -3.248 1.00 0.00 C ATOM 757 CG ASN A 75 -7.721 12.697 -2.980 1.00 0.00 C ATOM 758 OD1 ASN A 75 -8.742 13.286 -3.280 1.00 0.00 O ATOM 759 ND2 ASN A 75 -6.701 13.393 -2.514 1.00 0.00 N ATOM 0 H ASN A 75 -6.832 8.804 -3.544 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.451 11.267 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.654 11.021 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.409 10.673 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.778 14.405 -2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.835 12.919 -2.256 1.00 0.00 H new ATOM 766 N THR A 76 -5.130 10.837 -0.605 1.00 0.00 N ATOM 767 CA THR A 76 -4.990 10.866 0.845 1.00 0.00 C ATOM 768 C THR A 76 -5.859 11.965 1.480 1.00 0.00 C ATOM 769 O THR A 76 -6.325 11.780 2.601 1.00 0.00 O ATOM 770 CB THR A 76 -3.495 10.999 1.178 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.068 12.309 0.861 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.557 10.074 0.388 1.00 0.00 C ATOM 0 H THR A 76 -4.261 11.025 -1.105 1.00 0.00 H new ATOM 0 HA THR A 76 -5.360 9.938 1.280 1.00 0.00 H new ATOM 0 HB THR A 76 -3.429 10.736 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.360 12.581 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.527 10.248 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.823 9.035 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.654 10.282 -0.678 1.00 0.00 H new ATOM 780 N ALA A 77 -6.155 13.058 0.758 1.00 0.00 N ATOM 781 CA ALA A 77 -7.084 14.071 1.236 1.00 0.00 C ATOM 782 C ALA A 77 -8.536 13.621 1.108 1.00 0.00 C ATOM 783 O ALA A 77 -9.403 14.225 1.741 1.00 0.00 O ATOM 784 CB ALA A 77 -6.877 15.436 0.558 1.00 0.00 C ATOM 0 H ALA A 77 -5.758 13.255 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.862 14.200 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.597 16.152 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.866 15.791 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.021 15.334 -0.518 1.00 0.00 H new ATOM 790 N SER A 78 -8.834 12.577 0.333 1.00 0.00 N ATOM 791 CA SER A 78 -10.185 12.056 0.265 1.00 0.00 C ATOM 792 C SER A 78 -10.464 11.121 1.441 1.00 0.00 C ATOM 793 O SER A 78 -11.561 11.131 1.991 1.00 0.00 O ATOM 794 CB SER A 78 -10.449 11.375 -1.073 1.00 0.00 C ATOM 795 OG SER A 78 -11.821 11.421 -1.395 1.00 0.00 O ATOM 0 H SER A 78 -8.158 12.084 -0.250 1.00 0.00 H new ATOM 0 HA SER A 78 -10.877 12.895 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.870 11.865 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.115 10.338 -1.031 1.00 0.00 H new ATOM 0 HG SER A 78 -12.207 10.524 -1.311 1.00 0.00 H new ATOM 801 N VAL A 79 -9.463 10.335 1.855 1.00 0.00 N ATOM 802 CA VAL A 79 -9.626 9.350 2.908 1.00 0.00 C ATOM 803 C VAL A 79 -9.570 10.134 4.221 1.00 0.00 C ATOM 804 O VAL A 79 -8.553 10.749 4.581 1.00 0.00 O ATOM 805 CB VAL A 79 -8.585 8.207 2.783 1.00 0.00 C ATOM 806 CG1 VAL A 79 -8.888 7.087 3.753 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.555 7.612 1.366 1.00 0.00 C ATOM 0 H VAL A 79 -8.522 10.371 1.464 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.578 8.823 2.848 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.616 8.651 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.143 6.299 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.862 7.472 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.878 6.682 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.813 6.815 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.537 7.208 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.294 8.391 0.650 1.00 0.00 H new ATOM 817 N ALA A 80 -10.701 10.180 4.916 1.00 0.00 N ATOM 818 CA ALA A 80 -10.797 10.721 6.254 1.00 0.00 C ATOM 819 C ALA A 80 -9.802 9.973 7.141 1.00 0.00 C ATOM 820 O ALA A 80 -9.454 8.822 6.866 1.00 0.00 O ATOM 821 CB ALA A 80 -12.234 10.545 6.723 1.00 0.00 C ATOM 0 H ALA A 80 -11.589 9.834 4.553 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.551 11.782 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.339 10.944 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.904 11.079 6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.489 9.485 6.724 1.00 0.00 H new ATOM 827 N GLY A 81 -9.291 10.604 8.192 1.00 0.00 N ATOM 828 CA GLY A 81 -8.166 10.034 8.916 1.00 0.00 C ATOM 829 C GLY A 81 -6.867 10.262 8.178 1.00 0.00 C ATOM 830 O GLY A 81 -5.996 10.916 8.726 1.00 0.00 O ATOM 0 H GLY A 81 -9.631 11.494 8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.106 10.480 9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.325 8.965 9.056 1.00 0.00 H new ATOM 834 N MET A 82 -6.702 9.800 6.935 1.00 0.00 N ATOM 835 CA MET A 82 -5.423 9.894 6.247 1.00 0.00 C ATOM 836 C MET A 82 -4.982 11.348 6.032 1.00 0.00 C ATOM 837 O MET A 82 -3.795 11.635 5.880 1.00 0.00 O ATOM 838 CB MET A 82 -5.549 9.139 4.933 1.00 0.00 C ATOM 839 CG MET A 82 -4.172 8.902 4.335 1.00 0.00 C ATOM 840 SD MET A 82 -4.137 8.033 2.762 1.00 0.00 S ATOM 841 CE MET A 82 -4.963 6.488 3.168 1.00 0.00 C ATOM 0 H MET A 82 -7.442 9.358 6.389 1.00 0.00 H new ATOM 0 HA MET A 82 -4.642 9.447 6.862 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.051 8.186 5.099 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.165 9.707 4.235 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.683 9.867 4.206 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.578 8.337 5.053 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.403 6.062 2.266 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.240 5.787 3.585 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.748 6.677 3.900 1.00 0.00 H new ATOM 851 N ASN A 83 -5.914 12.292 6.109 1.00 0.00 N ATOM 852 CA ASN A 83 -5.606 13.715 6.105 1.00 0.00 C ATOM 853 C ASN A 83 -4.727 14.153 7.272 1.00 0.00 C ATOM 854 O ASN A 83 -4.108 15.214 7.207 1.00 0.00 O ATOM 855 CB ASN A 83 -6.898 14.532 6.173 1.00 0.00 C ATOM 856 CG ASN A 83 -7.592 14.643 4.841 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.391 15.620 4.129 1.00 0.00 O ATOM 858 ND2 ASN A 83 -8.384 13.649 4.464 1.00 0.00 N ATOM 0 H ASN A 83 -6.911 12.088 6.176 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.059 13.893 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.575 14.072 6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.671 15.532 6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.848 13.683 3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.529 12.850 5.082 1.00 0.00 H new ATOM 865 N LEU A 84 -4.703 13.383 8.353 1.00 0.00 N ATOM 866 CA LEU A 84 -4.241 13.823 9.660 1.00 0.00 C ATOM 867 C LEU A 84 -2.890 13.179 9.983 1.00 0.00 C ATOM 868 O LEU A 84 -2.192 13.643 10.883 1.00 0.00 O ATOM 869 CB LEU A 84 -5.307 13.452 10.714 1.00 0.00 C ATOM 870 CG LEU A 84 -6.782 13.694 10.298 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.738 13.252 11.407 1.00 0.00 C ATOM 872 CD2 LEU A 84 -7.082 15.141 9.892 1.00 0.00 C ATOM 0 H LEU A 84 -5.012 12.411 8.343 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.100 14.904 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.189 12.398 10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.107 14.022 11.621 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.941 13.084 9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.766 13.431 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.599 12.189 11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.531 13.820 12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.132 15.231 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.870 15.805 10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.458 15.417 9.042 1.00 0.00 H new ATOM 884 N LEU A 85 -2.558 12.123 9.233 1.00 0.00 N ATOM 885 CA LEU A 85 -1.411 11.231 9.342 1.00 0.00 C ATOM 886 C LEU A 85 -0.151 11.925 8.832 1.00 0.00 C ATOM 887 O LEU A 85 -0.240 12.925 8.111 1.00 0.00 O ATOM 888 CB LEU A 85 -1.715 9.968 8.502 1.00 0.00 C ATOM 889 CG LEU A 85 -2.549 8.862 9.182 1.00 0.00 C ATOM 890 CD1 LEU A 85 -1.634 7.847 9.861 1.00 0.00 C ATOM 891 CD2 LEU A 85 -3.560 9.359 10.206 1.00 0.00 C ATOM 0 H LEU A 85 -3.154 11.848 8.452 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.238 10.957 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.238 10.280 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.766 9.533 8.188 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.119 8.409 8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.238 7.074 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.980 7.392 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.029 8.350 10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.097 8.510 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.040 9.892 11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.268 10.031 9.722 1.00 0.00 H new ATOM 903 N ALA A 86 1.018 11.393 9.189 1.00 0.00 N ATOM 904 CA ALA A 86 2.294 11.858 8.663 1.00 0.00 C ATOM 905 C ALA A 86 2.403 11.564 7.166 1.00 0.00 C ATOM 906 O ALA A 86 1.681 10.728 6.623 1.00 0.00 O ATOM 907 CB ALA A 86 3.454 11.183 9.402 1.00 0.00 C ATOM 0 H ALA A 86 1.103 10.624 9.854 1.00 0.00 H new ATOM 0 HA ALA A 86 2.348 12.936 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.401 11.541 8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.399 11.424 10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.389 10.103 9.272 1.00 0.00 H new ATOM 913 N ASP A 87 3.370 12.207 6.515 1.00 0.00 N ATOM 914 CA ASP A 87 3.762 11.961 5.125 1.00 0.00 C ATOM 915 C ASP A 87 4.059 10.487 4.896 1.00 0.00 C ATOM 916 O ASP A 87 3.532 9.841 3.984 1.00 0.00 O ATOM 917 CB ASP A 87 4.973 12.852 4.808 1.00 0.00 C ATOM 918 CG ASP A 87 5.212 13.098 3.316 1.00 0.00 C ATOM 919 OD1 ASP A 87 4.493 12.523 2.475 1.00 0.00 O ATOM 920 OD2 ASP A 87 6.057 13.971 2.995 1.00 0.00 O ATOM 0 H ASP A 87 3.924 12.941 6.956 1.00 0.00 H new ATOM 0 HA ASP A 87 2.945 12.214 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.840 13.813 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.866 12.394 5.235 1.00 0.00 H new ATOM 926 N ASP A 88 4.815 9.925 5.830 1.00 0.00 N ATOM 927 CA ASP A 88 5.145 8.522 5.852 1.00 0.00 C ATOM 928 C ASP A 88 4.795 7.972 7.233 1.00 0.00 C ATOM 929 O ASP A 88 5.614 7.940 8.151 1.00 0.00 O ATOM 930 CB ASP A 88 6.591 8.328 5.422 1.00 0.00 C ATOM 931 CG ASP A 88 6.940 6.849 5.514 1.00 0.00 C ATOM 932 OD1 ASP A 88 6.376 6.093 4.693 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.700 6.460 6.428 1.00 0.00 O ATOM 0 H ASP A 88 5.220 10.450 6.605 1.00 0.00 H new ATOM 0 HA ASP A 88 4.561 7.947 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.732 8.686 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.255 8.912 6.059 1.00 0.00 H new ATOM 939 N ALA A 89 3.514 7.643 7.402 1.00 0.00 N ATOM 940 CA ALA A 89 2.967 6.827 8.488 1.00 0.00 C ATOM 941 C ALA A 89 2.041 5.767 7.896 1.00 0.00 C ATOM 942 O ALA A 89 1.382 6.041 6.894 1.00 0.00 O ATOM 943 CB ALA A 89 2.182 7.701 9.465 1.00 0.00 C ATOM 0 H ALA A 89 2.792 7.954 6.752 1.00 0.00 H new ATOM 0 HA ALA A 89 3.786 6.350 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.781 7.081 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.843 8.458 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.361 8.188 8.939 1.00 0.00 H new ATOM 949 N CYS A 90 1.986 4.579 8.509 1.00 0.00 N ATOM 950 CA CYS A 90 1.196 3.429 8.074 1.00 0.00 C ATOM 951 C CYS A 90 -0.280 3.796 8.004 1.00 0.00 C ATOM 952 O CYS A 90 -0.838 4.295 8.987 1.00 0.00 O ATOM 953 CB CYS A 90 1.366 2.265 9.060 1.00 0.00 C ATOM 954 SG CYS A 90 2.928 1.359 8.940 1.00 0.00 S ATOM 0 H CYS A 90 2.516 4.388 9.359 1.00 0.00 H new ATOM 0 HA CYS A 90 1.547 3.131 7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.270 2.654 10.074 1.00 0.00 H new ATOM 0 HB3 CYS A 90 0.547 1.562 8.909 1.00 0.00 H new ATOM 0 HG CYS A 90 2.946 0.407 9.825 1.00 0.00 H new ATOM 960 N VAL A 91 -0.939 3.475 6.892 1.00 0.00 N ATOM 961 CA VAL A 91 -2.365 3.683 6.710 1.00 0.00 C ATOM 962 C VAL A 91 -2.992 2.394 6.144 1.00 0.00 C ATOM 963 O VAL A 91 -2.544 1.908 5.103 1.00 0.00 O ATOM 964 CB VAL A 91 -2.664 4.925 5.841 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.966 5.542 6.356 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.605 6.037 5.865 1.00 0.00 C ATOM 0 H VAL A 91 -0.484 3.056 6.081 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.823 3.894 7.676 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.700 4.562 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.210 6.424 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.773 4.814 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.845 5.828 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.922 6.856 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.486 6.404 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.654 5.642 5.508 1.00 0.00 H new ATOM 976 N PRO A 92 -3.994 1.809 6.825 1.00 0.00 N ATOM 977 CA PRO A 92 -4.567 0.512 6.475 1.00 0.00 C ATOM 978 C PRO A 92 -5.452 0.573 5.251 1.00 0.00 C ATOM 979 O PRO A 92 -6.320 1.456 5.179 1.00 0.00 O ATOM 980 CB PRO A 92 -5.443 0.120 7.634 1.00 0.00 C ATOM 981 CG PRO A 92 -5.822 1.447 8.295 1.00 0.00 C ATOM 982 CD PRO A 92 -4.648 2.362 7.999 1.00 0.00 C ATOM 0 HA PRO A 92 -3.757 -0.186 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.327 -0.422 7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.914 -0.532 8.329 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.750 1.845 7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.973 1.328 9.368 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.985 3.382 7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.962 2.402 8.845 1.00 0.00 H new ATOM 990 N LEU A 93 -5.290 -0.372 4.324 1.00 0.00 N ATOM 991 CA LEU A 93 -5.920 -0.188 3.036 1.00 0.00 C ATOM 992 C LEU A 93 -7.353 -0.694 2.958 1.00 0.00 C ATOM 993 O LEU A 93 -8.113 -0.148 2.175 1.00 0.00 O ATOM 994 CB LEU A 93 -5.055 -0.699 1.877 1.00 0.00 C ATOM 995 CG LEU A 93 -5.457 -0.041 0.540 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.308 1.491 0.579 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.561 -0.566 -0.574 1.00 0.00 C ATOM 0 H LEU A 93 -4.752 -1.231 4.439 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.999 0.893 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.006 -0.491 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.155 -1.781 1.796 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.504 -0.289 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.602 1.910 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.946 1.899 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.270 1.750 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.845 -0.102 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.522 -0.326 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.674 -1.647 -0.653 1.00 0.00 H new ATOM 1009 N THR A 94 -7.770 -1.635 3.800 1.00 0.00 N ATOM 1010 CA THR A 94 -9.160 -2.098 3.834 1.00 0.00 C ATOM 1011 C THR A 94 -9.885 -1.581 5.085 1.00 0.00 C ATOM 1012 O THR A 94 -10.947 -2.080 5.467 1.00 0.00 O ATOM 1013 CB THR A 94 -9.153 -3.619 3.562 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.349 -4.085 2.967 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.834 -4.460 4.803 1.00 0.00 C ATOM 0 H THR A 94 -7.161 -2.098 4.475 1.00 0.00 H new ATOM 0 HA THR A 94 -9.778 -1.672 3.043 1.00 0.00 H new ATOM 0 HB THR A 94 -8.341 -3.753 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.558 -3.538 2.181 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.846 -5.517 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.847 -4.192 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.581 -4.270 5.573 1.00 0.00 H new ATOM 1023 N THR A 95 -9.324 -0.539 5.706 1.00 0.00 N ATOM 1024 CA THR A 95 -9.822 0.025 6.945 1.00 0.00 C ATOM 1025 C THR A 95 -10.005 1.535 6.796 1.00 0.00 C ATOM 1026 O THR A 95 -11.127 1.989 7.005 1.00 0.00 O ATOM 1027 CB THR A 95 -8.898 -0.360 8.104 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.435 -1.695 7.988 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.475 -0.129 9.492 1.00 0.00 C ATOM 0 H THR A 95 -8.497 -0.062 5.348 1.00 0.00 H new ATOM 0 HA THR A 95 -10.804 -0.388 7.177 1.00 0.00 H new ATOM 0 HB THR A 95 -8.058 0.329 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.847 -1.904 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.746 -0.432 10.244 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.708 0.928 9.618 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.385 -0.718 9.610 1.00 0.00 H new ATOM 1037 N MET A 96 -8.962 2.324 6.459 1.00 0.00 N ATOM 1038 CA MET A 96 -9.145 3.780 6.418 1.00 0.00 C ATOM 1039 C MET A 96 -10.122 4.131 5.300 1.00 0.00 C ATOM 1040 O MET A 96 -11.050 4.914 5.496 1.00 0.00 O ATOM 1041 CB MET A 96 -7.871 4.620 6.188 1.00 0.00 C ATOM 1042 CG MET A 96 -8.104 6.007 6.801 1.00 0.00 C ATOM 1043 SD MET A 96 -8.122 6.099 8.611 1.00 0.00 S ATOM 1044 CE MET A 96 -6.348 6.149 8.913 1.00 0.00 C ATOM 0 H MET A 96 -8.027 1.992 6.222 1.00 0.00 H new ATOM 0 HA MET A 96 -9.507 4.034 7.414 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.008 4.139 6.649 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.657 4.705 5.123 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.327 6.677 6.433 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.056 6.388 6.431 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.157 6.604 9.885 1.00 0.00 H new ATOM 0 HE2 MET A 96 -5.948 5.135 8.903 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.863 6.738 8.135 1.00 0.00 H new ATOM 1054 N VAL A 97 -9.845 3.596 4.110 1.00 0.00 N ATOM 1055 CA VAL A 97 -10.631 3.833 2.922 1.00 0.00 C ATOM 1056 C VAL A 97 -11.694 2.747 2.838 1.00 0.00 C ATOM 1057 O VAL A 97 -11.467 1.576 3.149 1.00 0.00 O ATOM 1058 CB VAL A 97 -9.749 3.966 1.662 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.570 3.007 1.652 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.531 3.898 0.349 1.00 0.00 C ATOM 0 H VAL A 97 -9.051 2.976 3.953 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.138 4.796 2.981 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.342 4.975 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.991 3.152 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.937 3.200 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.935 1.981 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.843 3.999 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.047 2.940 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.261 4.706 0.318 1.00 0.00 H new ATOM 1070 N GLN A 98 -12.866 3.186 2.412 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.010 2.378 2.095 1.00 0.00 C ATOM 1072 C GLN A 98 -13.766 1.576 0.821 1.00 0.00 C ATOM 1073 O GLN A 98 -13.326 2.129 -0.188 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.173 3.357 1.923 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.451 2.728 1.370 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.833 3.218 -0.026 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.956 3.683 -0.215 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.958 3.155 -1.022 1.00 0.00 N ATOM 0 H GLN A 98 -13.045 4.180 2.273 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.222 1.649 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.395 3.812 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.860 4.161 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.328 1.645 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.273 2.938 2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.028 2.769 -0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.216 3.493 -1.949 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.165 0.305 0.860 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.258 -0.668 -0.232 1.00 0.00 C ATOM 1089 C ASP A 99 -12.907 -1.145 -0.748 1.00 0.00 C ATOM 1090 O ASP A 99 -12.825 -2.272 -1.224 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.140 -0.148 -1.377 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.402 -1.158 -2.496 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.595 -2.356 -2.199 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.547 -0.738 -3.668 1.00 0.00 O ATOM 0 H ASP A 99 -14.460 -0.111 1.743 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.738 -1.546 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.097 0.171 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.668 0.735 -1.807 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.854 -0.336 -0.606 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.491 -0.686 -0.983 1.00 0.00 C ATOM 1102 C ALA A 100 -10.004 -1.958 -0.270 1.00 0.00 C ATOM 1103 O ALA A 100 -10.458 -2.295 0.830 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.584 0.498 -0.642 1.00 0.00 C ATOM 0 H ALA A 100 -11.933 0.603 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.462 -0.897 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.556 0.260 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.912 1.378 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.637 0.701 0.428 1.00 0.00 H new ATOM 1110 N THR A 101 -9.057 -2.659 -0.896 1.00 0.00 N ATOM 1111 CA THR A 101 -8.648 -3.998 -0.503 1.00 0.00 C ATOM 1112 C THR A 101 -7.151 -4.204 -0.760 1.00 0.00 C ATOM 1113 O THR A 101 -6.528 -3.427 -1.494 1.00 0.00 O ATOM 1114 CB THR A 101 -9.514 -5.033 -1.252 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.169 -5.103 -2.619 1.00 0.00 O ATOM 1116 CG2 THR A 101 -11.026 -4.788 -1.219 1.00 0.00 C ATOM 0 H THR A 101 -8.547 -2.301 -1.704 1.00 0.00 H new ATOM 0 HA THR A 101 -8.804 -4.132 0.567 1.00 0.00 H new ATOM 0 HB THR A 101 -9.300 -5.953 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.734 -5.768 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.534 -5.575 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.373 -4.793 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.248 -3.822 -1.672 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.567 -5.253 -0.169 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.164 -5.610 -0.345 1.00 0.00 C ATOM 1126 C ALA A 102 -4.963 -7.111 -0.115 1.00 0.00 C ATOM 1127 O ALA A 102 -4.930 -7.566 1.036 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.290 -4.780 0.603 1.00 0.00 C ATOM 0 H ALA A 102 -7.069 -5.885 0.455 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.864 -5.387 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.244 -5.053 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.421 -3.720 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.584 -4.976 1.634 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.797 -7.868 -1.200 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.452 -9.283 -1.253 1.00 0.00 C ATOM 1136 C HIS A 103 -2.934 -9.403 -1.358 1.00 0.00 C ATOM 1137 O HIS A 103 -2.293 -8.891 -2.275 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.185 -9.928 -2.440 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.808 -11.360 -2.740 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -5.600 -12.454 -2.495 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -3.649 -11.812 -3.314 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.937 -13.546 -2.909 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -3.732 -13.207 -3.400 1.00 0.00 N ATOM 0 H HIS A 103 -4.910 -7.475 -2.134 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.766 -9.812 -0.353 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.257 -9.886 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -4.997 -9.327 -3.330 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.528 -12.440 -2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.820 -11.202 -3.641 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -5.318 -14.555 -2.855 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.340 -10.080 -0.383 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.936 -10.454 -0.393 1.00 0.00 C ATOM 1154 C LEU A 104 -0.818 -11.683 -1.282 1.00 0.00 C ATOM 1155 O LEU A 104 -1.308 -12.750 -0.907 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.497 -10.674 1.066 1.00 0.00 C ATOM 1157 CG LEU A 104 0.874 -11.326 1.336 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.907 -12.833 1.360 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.922 -10.920 0.344 1.00 0.00 C ATOM 0 H LEU A 104 -2.834 -10.390 0.454 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.272 -9.691 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.506 -9.704 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.256 -11.288 1.551 1.00 0.00 H new ATOM 0 HG LEU A 104 1.079 -10.952 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.924 -13.172 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.243 -13.199 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.578 -13.220 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.864 -11.412 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.608 -11.213 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.057 -9.839 0.380 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.219 -11.534 -2.468 1.00 0.00 N ATOM 1172 CA ASP A 105 0.136 -12.678 -3.292 1.00 0.00 C ATOM 1173 C ASP A 105 1.580 -13.050 -3.005 1.00 0.00 C ATOM 1174 O ASP A 105 2.522 -12.542 -3.620 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.068 -12.454 -4.796 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.250 -13.815 -5.458 1.00 0.00 C ATOM 1177 OD1 ASP A 105 0.463 -14.770 -5.075 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -1.158 -13.935 -6.309 1.00 0.00 O ATOM 0 H ASP A 105 0.027 -10.631 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 105 -0.541 -13.490 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.941 -11.826 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.790 -11.935 -5.223 1.00 0.00 H new ATOM 1184 N VAL A 106 1.778 -13.932 -2.033 1.00 0.00 N ATOM 1185 CA VAL A 106 3.117 -14.387 -1.704 1.00 0.00 C ATOM 1186 C VAL A 106 3.712 -15.185 -2.886 1.00 0.00 C ATOM 1187 O VAL A 106 4.932 -15.286 -2.988 1.00 0.00 O ATOM 1188 CB VAL A 106 3.077 -15.217 -0.412 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.386 -16.561 -0.613 1.00 0.00 C ATOM 1190 CG2 VAL A 106 4.458 -15.401 0.234 1.00 0.00 C ATOM 0 H VAL A 106 1.035 -14.341 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 106 3.767 -13.529 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 106 2.479 -14.633 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.382 -17.112 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.360 -16.397 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.922 -17.136 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.359 -15.996 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.121 -15.912 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.876 -14.426 0.483 1.00 0.00 H new ATOM 1200 N GLY A 107 2.870 -15.769 -3.753 1.00 0.00 N ATOM 1201 CA GLY A 107 3.202 -16.924 -4.581 1.00 0.00 C ATOM 1202 C GLY A 107 3.442 -16.567 -6.033 1.00 0.00 C ATOM 1203 O GLY A 107 4.459 -16.982 -6.592 1.00 0.00 O ATOM 0 H GLY A 107 1.916 -15.437 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.093 -17.406 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.392 -17.651 -4.521 1.00 0.00 H new ATOM 1207 N GLN A 108 2.573 -15.730 -6.604 1.00 0.00 N ATOM 1208 CA GLN A 108 2.865 -15.037 -7.849 1.00 0.00 C ATOM 1209 C GLN A 108 3.775 -13.842 -7.578 1.00 0.00 C ATOM 1210 O GLN A 108 4.281 -13.256 -8.531 1.00 0.00 O ATOM 1211 CB GLN A 108 1.587 -14.592 -8.579 1.00 0.00 C ATOM 1212 CG GLN A 108 0.705 -15.780 -8.989 1.00 0.00 C ATOM 1213 CD GLN A 108 0.139 -15.596 -10.397 1.00 0.00 C ATOM 1214 OE1 GLN A 108 -0.993 -15.154 -10.589 1.00 0.00 O ATOM 1215 NE2 GLN A 108 0.907 -15.922 -11.422 1.00 0.00 N ATOM 0 H GLN A 108 1.654 -15.518 -6.215 1.00 0.00 H new ATOM 0 HA GLN A 108 3.378 -15.739 -8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.016 -13.925 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.859 -14.021 -9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.289 -16.700 -8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.114 -15.890 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.845 -16.288 -11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.562 -15.807 -12.375 1.00 0.00 H new ATOM 1224 N GLN A 109 4.049 -13.540 -6.305 1.00 0.00 N ATOM 1225 CA GLN A 109 4.945 -12.491 -5.858 1.00 0.00 C ATOM 1226 C GLN A 109 4.423 -11.153 -6.328 1.00 0.00 C ATOM 1227 O GLN A 109 5.035 -10.479 -7.162 1.00 0.00 O ATOM 1228 CB GLN A 109 6.423 -12.817 -6.186 1.00 0.00 C ATOM 1229 CG GLN A 109 6.803 -14.124 -5.474 1.00 0.00 C ATOM 1230 CD GLN A 109 8.302 -14.438 -5.443 1.00 0.00 C ATOM 1231 OE1 GLN A 109 8.889 -14.867 -6.432 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.954 -14.287 -4.296 1.00 0.00 N ATOM 0 H GLN A 109 3.628 -14.050 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 109 4.957 -12.428 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.559 -12.919 -7.263 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.072 -12.005 -5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.436 -14.080 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.285 -14.949 -5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.465 -13.930 -3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.943 -14.528 -4.236 1.00 0.00 H new ATOM 1241 N ARG A 110 3.275 -10.756 -5.755 1.00 0.00 N ATOM 1242 CA ARG A 110 2.764 -9.420 -6.015 1.00 0.00 C ATOM 1243 C ARG A 110 1.900 -8.902 -4.881 1.00 0.00 C ATOM 1244 O ARG A 110 1.293 -9.671 -4.140 1.00 0.00 O ATOM 1245 CB ARG A 110 2.079 -9.410 -7.388 1.00 0.00 C ATOM 1246 CG ARG A 110 0.566 -9.575 -7.392 1.00 0.00 C ATOM 1247 CD ARG A 110 0.064 -10.395 -8.583 1.00 0.00 C ATOM 1248 NE ARG A 110 -0.224 -9.578 -9.767 1.00 0.00 N ATOM 1249 CZ ARG A 110 -1.171 -9.863 -10.670 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.906 -10.976 -10.582 1.00 0.00 N ATOM 1251 NH2 ARG A 110 -1.364 -9.009 -11.667 1.00 0.00 N ATOM 0 H ARG A 110 2.706 -11.327 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 110 3.590 -8.710 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.321 -8.470 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.511 -10.209 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.255 -10.059 -6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.097 -8.591 -7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.812 -11.145 -8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.839 -10.932 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 110 0.334 -8.737 -9.912 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.751 -11.630 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.622 -11.171 -11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.798 -8.163 -11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.078 -9.199 -12.370 1.00 0.00 H new ATOM 1265 N LEU A 111 1.815 -7.580 -4.784 1.00 0.00 N ATOM 1266 CA LEU A 111 0.973 -6.897 -3.829 1.00 0.00 C ATOM 1267 C LEU A 111 -0.298 -6.503 -4.564 1.00 0.00 C ATOM 1268 O LEU A 111 -0.303 -5.480 -5.242 1.00 0.00 O ATOM 1269 CB LEU A 111 1.727 -5.700 -3.208 1.00 0.00 C ATOM 1270 CG LEU A 111 1.375 -5.419 -1.744 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.623 -3.954 -1.382 1.00 0.00 C ATOM 1272 CD2 LEU A 111 -0.009 -5.889 -1.288 1.00 0.00 C ATOM 0 H LEU A 111 2.344 -6.946 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 111 0.706 -7.534 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.799 -5.884 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.515 -4.808 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 111 2.063 -6.047 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.363 -3.789 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.675 -3.714 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.008 -3.314 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.150 -5.638 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.776 -5.395 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.088 -6.968 -1.417 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.336 -7.337 -4.511 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.576 -7.065 -5.243 1.00 0.00 C ATOM 1286 C ASN A 112 -3.393 -6.080 -4.410 1.00 0.00 C ATOM 1287 O ASN A 112 -3.621 -6.334 -3.228 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.368 -8.361 -5.483 1.00 0.00 C ATOM 1289 CG ASN A 112 -2.925 -9.129 -6.720 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -2.653 -10.418 -6.596 1.00 0.00 O flip ATOM 1291 ND2 ASN A 112 -2.822 -8.570 -7.807 1.00 0.00 N flip ATOM 0 H ASN A 112 -1.345 -8.203 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.351 -6.643 -6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.266 -9.006 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.426 -8.117 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.034 -7.576 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.524 -9.099 -8.626 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.808 -4.948 -4.982 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.510 -3.882 -4.265 1.00 0.00 C ATOM 1300 C LEU A 113 -5.666 -3.376 -5.131 1.00 0.00 C ATOM 1301 O LEU A 113 -5.547 -3.361 -6.363 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.554 -2.707 -3.968 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.175 -3.038 -3.354 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.129 -2.044 -3.871 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.242 -3.004 -1.832 1.00 0.00 C ATOM 0 H LEU A 113 -3.664 -4.743 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.885 -4.279 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.385 -2.169 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.066 -2.021 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.886 -4.045 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.157 -2.279 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.067 -2.113 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.418 -1.032 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.261 -3.240 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.545 -2.010 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.968 -3.738 -1.483 1.00 0.00 H new ATOM 1317 N THR A 114 -6.721 -2.848 -4.506 1.00 0.00 N ATOM 1318 CA THR A 114 -7.825 -2.162 -5.177 1.00 0.00 C ATOM 1319 C THR A 114 -8.209 -0.929 -4.367 1.00 0.00 C ATOM 1320 O THR A 114 -8.205 -0.984 -3.138 1.00 0.00 O ATOM 1321 CB THR A 114 -9.035 -3.093 -5.291 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.694 -4.254 -6.029 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.220 -2.440 -6.008 1.00 0.00 C ATOM 0 H THR A 114 -6.833 -2.887 -3.493 1.00 0.00 H new ATOM 0 HA THR A 114 -7.511 -1.869 -6.179 1.00 0.00 H new ATOM 0 HB THR A 114 -9.323 -3.334 -4.268 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.475 -4.842 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.048 -3.147 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.534 -1.552 -5.458 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.923 -2.156 -7.017 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.562 0.162 -5.050 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.069 1.409 -4.493 1.00 0.00 C ATOM 1333 C ILE A 115 -10.070 1.989 -5.508 1.00 0.00 C ATOM 1334 O ILE A 115 -9.685 2.205 -6.660 1.00 0.00 O ATOM 1335 CB ILE A 115 -7.903 2.392 -4.263 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.866 1.787 -3.291 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.396 3.749 -3.733 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.670 2.704 -3.057 1.00 0.00 C ATOM 0 H ILE A 115 -8.496 0.196 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.557 1.239 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.428 2.564 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.349 1.577 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.515 0.834 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.544 4.413 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.081 4.194 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -8.912 3.603 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.975 2.227 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.166 2.894 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.013 3.648 -2.633 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.323 2.289 -5.122 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.259 2.943 -6.027 1.00 0.00 C ATOM 1352 C PRO A 116 -11.777 4.347 -6.413 1.00 0.00 C ATOM 1353 O PRO A 116 -11.184 5.057 -5.595 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.608 2.996 -5.301 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.372 2.460 -3.888 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.885 2.122 -3.791 1.00 0.00 C ATOM 0 HA PRO A 116 -12.344 2.388 -6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -13.989 4.017 -5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.352 2.394 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.650 3.203 -3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.983 1.577 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.386 2.777 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.744 1.100 -3.438 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.120 4.800 -7.625 1.00 0.00 N ATOM 1365 CA GLN A 117 -11.788 6.127 -8.144 1.00 0.00 C ATOM 1366 C GLN A 117 -12.312 7.255 -7.247 1.00 0.00 C ATOM 1367 O GLN A 117 -11.759 8.357 -7.286 1.00 0.00 O ATOM 1368 CB GLN A 117 -12.316 6.273 -9.583 1.00 0.00 C ATOM 1369 CG GLN A 117 -11.375 5.672 -10.642 1.00 0.00 C ATOM 1370 CD GLN A 117 -10.320 6.661 -11.130 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -10.390 7.171 -12.246 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -9.311 6.959 -10.329 1.00 0.00 N ATOM 0 H GLN A 117 -12.651 4.236 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.702 6.218 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.290 5.789 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.469 7.330 -9.801 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.879 4.796 -10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.965 5.329 -11.492 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.253 6.536 -9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.591 7.612 -10.637 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.301 6.977 -6.389 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.805 7.895 -5.379 1.00 0.00 C ATOM 1383 C ALA A 118 -12.686 8.474 -4.502 1.00 0.00 C ATOM 1384 O ALA A 118 -12.815 9.610 -4.050 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.831 7.158 -4.511 1.00 0.00 C ATOM 0 H ALA A 118 -13.782 6.078 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.271 8.739 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.217 7.836 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.653 6.809 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.354 6.304 -4.029 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.592 7.739 -4.266 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.508 8.190 -3.398 1.00 0.00 C ATOM 1393 C PHE A 119 -9.179 8.166 -4.141 1.00 0.00 C ATOM 1394 O PHE A 119 -8.196 7.663 -3.615 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.439 7.379 -2.096 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.757 7.226 -1.382 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.258 8.212 -0.508 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.488 6.053 -1.593 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.506 8.041 0.110 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.680 5.839 -0.899 1.00 0.00 C ATOM 1401 CZ PHE A 119 -14.226 6.851 -0.088 1.00 0.00 C ATOM 0 H PHE A 119 -11.438 6.817 -4.673 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.720 9.221 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.045 6.388 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.729 7.858 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.679 9.103 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -12.130 5.312 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.912 8.822 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -14.187 4.889 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 119 -15.190 6.714 0.378 1.00 0.00 H new ATOM 1411 N MET A 120 -9.085 8.700 -5.355 1.00 0.00 N ATOM 1412 CA MET A 120 -7.841 8.657 -6.125 1.00 0.00 C ATOM 1413 C MET A 120 -7.406 10.055 -6.572 1.00 0.00 C ATOM 1414 O MET A 120 -8.224 10.868 -7.000 1.00 0.00 O ATOM 1415 CB MET A 120 -8.040 7.722 -7.309 1.00 0.00 C ATOM 1416 CG MET A 120 -8.178 6.282 -6.809 1.00 0.00 C ATOM 1417 SD MET A 120 -7.897 5.040 -8.083 1.00 0.00 S ATOM 1418 CE MET A 120 -6.114 4.770 -7.852 1.00 0.00 C ATOM 0 H MET A 120 -9.856 9.169 -5.830 1.00 0.00 H new ATOM 0 HA MET A 120 -7.036 8.278 -5.496 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.930 8.011 -7.867 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.195 7.801 -7.993 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.471 6.121 -5.995 1.00 0.00 H new ATOM 0 HG3 MET A 120 -9.177 6.145 -6.395 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.732 4.148 -8.662 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.597 5.730 -7.857 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.942 4.270 -6.899 1.00 0.00 H new ATOM 1428 N SER A 121 -6.129 10.375 -6.360 1.00 0.00 N ATOM 1429 CA SER A 121 -5.454 11.621 -6.689 1.00 0.00 C ATOM 1430 C SER A 121 -3.946 11.395 -6.526 1.00 0.00 C ATOM 1431 O SER A 121 -3.532 10.492 -5.796 1.00 0.00 O ATOM 1432 CB SER A 121 -5.897 12.723 -5.732 1.00 0.00 C ATOM 1433 OG SER A 121 -5.356 13.955 -6.102 1.00 0.00 O ATOM 0 H SER A 121 -5.492 9.712 -5.917 1.00 0.00 H new ATOM 0 HA SER A 121 -5.697 11.920 -7.709 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.985 12.787 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.585 12.475 -4.717 1.00 0.00 H new ATOM 0 HG SER A 121 -6.029 14.475 -6.589 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.124 12.269 -7.109 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.684 12.274 -6.860 1.00 0.00 C ATOM 1441 C ASN A 122 -1.339 12.910 -5.514 1.00 0.00 C ATOM 1442 O ASN A 122 -0.305 12.582 -4.946 1.00 0.00 O ATOM 1443 CB ASN A 122 -0.935 13.083 -7.926 1.00 0.00 C ATOM 1444 CG ASN A 122 -1.269 12.653 -9.343 1.00 0.00 C ATOM 1445 OD1 ASN A 122 -0.891 11.566 -9.774 1.00 0.00 O ATOM 1446 ND2 ASN A 122 -2.018 13.473 -10.059 1.00 0.00 N ATOM 0 H ASN A 122 -3.436 12.988 -7.762 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.382 11.227 -6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.175 14.140 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 122 0.138 12.980 -7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.302 13.211 -11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -2.313 14.368 -9.667 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.129 13.879 -5.025 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.674 14.703 -3.904 1.00 0.00 C ATOM 1455 C ARG A 123 -1.701 13.911 -2.590 1.00 0.00 C ATOM 1456 O ARG A 123 -2.771 13.582 -2.060 1.00 0.00 O ATOM 1457 CB ARG A 123 -2.329 16.103 -3.837 1.00 0.00 C ATOM 1458 CG ARG A 123 -3.847 16.247 -4.054 1.00 0.00 C ATOM 1459 CD ARG A 123 -4.261 16.535 -5.508 1.00 0.00 C ATOM 1460 NE ARG A 123 -3.960 17.897 -5.986 1.00 0.00 N ATOM 1461 CZ ARG A 123 -4.784 18.701 -6.677 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -6.049 18.370 -6.927 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -4.318 19.856 -7.138 1.00 0.00 N ATOM 0 H ARG A 123 -3.059 14.104 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.628 14.945 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.099 16.524 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.833 16.730 -4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.336 15.330 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.217 17.051 -3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.761 15.819 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -5.333 16.361 -5.606 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.034 18.265 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -6.420 17.481 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -6.647 19.005 -7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.348 20.120 -6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.930 20.479 -7.665 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.512 13.616 -2.050 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.308 12.996 -0.742 1.00 0.00 C ATOM 1479 C ALA A 124 -0.340 14.005 0.415 1.00 0.00 C ATOM 1480 O ALA A 124 -0.241 13.598 1.572 1.00 0.00 O ATOM 1481 CB ALA A 124 1.047 12.288 -0.692 1.00 0.00 C ATOM 0 H ALA A 124 0.365 13.811 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.132 12.293 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.183 11.832 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.082 11.515 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.842 13.012 -0.869 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.402 15.315 0.125 1.00 0.00 N ATOM 1488 CA ARG A 125 -0.100 16.396 1.078 1.00 0.00 C ATOM 1489 C ARG A 125 1.349 16.350 1.575 1.00 0.00 C ATOM 1490 O ARG A 125 1.674 17.013 2.560 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.131 16.423 2.233 1.00 0.00 C ATOM 1492 CG ARG A 125 -1.928 17.737 2.270 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.152 18.810 3.051 1.00 0.00 C ATOM 1494 NE ARG A 125 -1.582 20.175 2.719 1.00 0.00 N ATOM 1495 CZ ARG A 125 -0.837 21.274 2.895 1.00 0.00 C ATOM 1496 NH1 ARG A 125 0.333 21.223 3.528 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -1.260 22.445 2.439 1.00 0.00 N ATOM 0 H ARG A 125 -0.669 15.659 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.194 17.341 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.820 15.585 2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.614 16.287 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.118 18.083 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.899 17.569 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.284 18.642 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.087 18.708 2.841 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.516 20.294 2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.679 20.334 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.884 22.073 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.154 22.510 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.691 23.281 2.574 1.00 0.00 H new ATOM 1511 N GLY A 126 2.219 15.625 0.889 1.00 0.00 N ATOM 1512 CA GLY A 126 3.624 15.441 1.179 1.00 0.00 C ATOM 1513 C GLY A 126 4.229 14.709 -0.010 1.00 0.00 C ATOM 1514 O GLY A 126 3.613 14.671 -1.083 1.00 0.00 O ATOM 0 H GLY A 126 1.935 15.114 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.116 16.402 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.757 14.866 2.095 1.00 0.00 H new ATOM 1518 N TYR A 127 5.426 14.159 0.145 1.00 0.00 N ATOM 1519 CA TYR A 127 5.996 13.170 -0.756 1.00 0.00 C ATOM 1520 C TYR A 127 7.196 12.568 -0.046 1.00 0.00 C ATOM 1521 O TYR A 127 8.026 13.301 0.491 1.00 0.00 O ATOM 1522 CB TYR A 127 6.387 13.793 -2.120 1.00 0.00 C ATOM 1523 CG TYR A 127 7.820 13.563 -2.579 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.244 12.289 -3.003 1.00 0.00 C ATOM 1525 CD2 TYR A 127 8.745 14.624 -2.550 1.00 0.00 C ATOM 1526 CE1 TYR A 127 9.589 12.065 -3.335 1.00 0.00 C ATOM 1527 CE2 TYR A 127 10.094 14.407 -2.879 1.00 0.00 C ATOM 1528 CZ TYR A 127 10.528 13.116 -3.249 1.00 0.00 C ATOM 1529 OH TYR A 127 11.842 12.876 -3.508 1.00 0.00 O ATOM 0 H TYR A 127 6.043 14.396 0.922 1.00 0.00 H new ATOM 0 HA TYR A 127 5.263 12.398 -0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 127 5.716 13.397 -2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.212 14.868 -2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.531 11.481 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.415 15.614 -2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 127 9.907 11.085 -3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 127 10.797 15.226 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 127 12.353 13.706 -3.405 1.00 0.00 H new ATOM 1539 N ILE A 128 7.331 11.245 -0.102 1.00 0.00 N ATOM 1540 CA ILE A 128 8.498 10.520 0.369 1.00 0.00 C ATOM 1541 C ILE A 128 8.893 9.533 -0.735 1.00 0.00 C ATOM 1542 O ILE A 128 8.020 8.824 -1.256 1.00 0.00 O ATOM 1543 CB ILE A 128 8.237 9.875 1.744 1.00 0.00 C ATOM 1544 CG1 ILE A 128 8.039 10.973 2.808 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.323 8.889 2.196 1.00 0.00 C ATOM 1546 CD1 ILE A 128 9.257 11.847 3.139 1.00 0.00 C ATOM 0 H ILE A 128 6.610 10.636 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 128 9.343 11.185 0.549 1.00 0.00 H new ATOM 0 HB ILE A 128 7.329 9.283 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 128 7.233 11.627 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.703 10.496 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 128 9.061 8.482 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.401 8.077 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.280 9.407 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.984 12.578 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 128 10.065 11.218 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.588 12.366 2.239 1.00 0.00 H new ATOM 1558 N PRO A 129 10.167 9.540 -1.155 1.00 0.00 N ATOM 1559 CA PRO A 129 10.695 8.646 -2.167 1.00 0.00 C ATOM 1560 C PRO A 129 10.899 7.238 -1.590 1.00 0.00 C ATOM 1561 O PRO A 129 10.974 7.058 -0.370 1.00 0.00 O ATOM 1562 CB PRO A 129 12.023 9.273 -2.614 1.00 0.00 C ATOM 1563 CG PRO A 129 12.478 10.103 -1.418 1.00 0.00 C ATOM 1564 CD PRO A 129 11.202 10.422 -0.651 1.00 0.00 C ATOM 0 HA PRO A 129 10.013 8.530 -3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.757 8.508 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.890 9.894 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.183 9.549 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.984 11.014 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.348 10.272 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.920 11.466 -0.791 1.00 0.00 H new ATOM 1572 N PRO A 130 11.069 6.226 -2.452 1.00 0.00 N ATOM 1573 CA PRO A 130 11.229 4.841 -2.030 1.00 0.00 C ATOM 1574 C PRO A 130 12.571 4.544 -1.338 1.00 0.00 C ATOM 1575 O PRO A 130 12.841 3.378 -1.054 1.00 0.00 O ATOM 1576 CB PRO A 130 11.015 4.008 -3.295 1.00 0.00 C ATOM 1577 CG PRO A 130 11.445 4.950 -4.416 1.00 0.00 C ATOM 1578 CD PRO A 130 11.030 6.320 -3.903 1.00 0.00 C ATOM 0 HA PRO A 130 10.505 4.593 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.615 3.098 -3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.974 3.703 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.519 4.897 -4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.951 4.707 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 130 11.707 7.094 -4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.031 6.582 -4.252 1.00 0.00 H new ATOM 1586 N GLU A 131 13.418 5.542 -1.072 1.00 0.00 N ATOM 1587 CA GLU A 131 14.681 5.428 -0.339 1.00 0.00 C ATOM 1588 C GLU A 131 14.627 6.137 1.017 1.00 0.00 C ATOM 1589 O GLU A 131 15.658 6.318 1.659 1.00 0.00 O ATOM 1590 CB GLU A 131 15.802 5.995 -1.225 1.00 0.00 C ATOM 1591 CG GLU A 131 17.188 5.488 -0.801 1.00 0.00 C ATOM 1592 CD GLU A 131 18.076 5.206 -2.011 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.725 4.277 -2.776 1.00 0.00 O ATOM 1594 OE2 GLU A 131 19.083 5.915 -2.245 1.00 0.00 O ATOM 0 H GLU A 131 13.232 6.497 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 131 14.875 4.378 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.618 5.718 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.785 7.084 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.668 6.229 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 131 17.079 4.579 -0.209 1.00 0.00 H new ATOM 1602 N LEU A 132 13.442 6.591 1.437 1.00 0.00 N ATOM 1603 CA LEU A 132 13.248 7.292 2.706 1.00 0.00 C ATOM 1604 C LEU A 132 12.087 6.720 3.523 1.00 0.00 C ATOM 1605 O LEU A 132 11.760 7.236 4.588 1.00 0.00 O ATOM 1606 CB LEU A 132 13.036 8.784 2.423 1.00 0.00 C ATOM 1607 CG LEU A 132 14.313 9.577 2.086 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.983 11.059 1.843 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.334 9.524 3.220 1.00 0.00 C ATOM 0 H LEU A 132 12.583 6.480 0.898 1.00 0.00 H new ATOM 0 HA LEU A 132 14.143 7.151 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.336 8.884 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.565 9.239 3.294 1.00 0.00 H new ATOM 0 HG LEU A 132 14.731 9.115 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.898 11.602 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.285 11.145 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.531 11.483 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.219 10.096 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.897 9.950 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.616 8.488 3.407 1.00 0.00 H new ATOM 1621 N TRP A 133 11.470 5.652 3.035 1.00 0.00 N ATOM 1622 CA TRP A 133 10.390 4.905 3.685 1.00 0.00 C ATOM 1623 C TRP A 133 10.786 3.450 3.963 1.00 0.00 C ATOM 1624 O TRP A 133 9.924 2.654 4.334 1.00 0.00 O ATOM 1625 CB TRP A 133 9.125 4.996 2.824 1.00 0.00 C ATOM 1626 CG TRP A 133 8.871 3.866 1.877 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.703 3.411 0.916 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.739 2.952 1.898 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.134 2.312 0.301 1.00 0.00 N ATOM 1630 CE2 TRP A 133 7.944 1.956 0.901 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.555 2.877 2.658 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.028 0.914 0.694 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.635 1.830 2.472 1.00 0.00 C ATOM 1634 CH2 TRP A 133 5.870 0.854 1.490 1.00 0.00 C ATOM 0 H TRP A 133 11.719 5.259 2.127 1.00 0.00 H new ATOM 0 HA TRP A 133 10.189 5.353 4.658 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.266 5.081 3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.173 5.919 2.246 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.663 3.839 0.667 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.543 1.825 -0.497 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.350 3.638 3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.209 0.168 -0.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.747 1.776 3.085 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.159 0.054 1.345 1.00 0.00 H new ATOM 1645 N ASP A 134 12.060 3.115 3.710 1.00 0.00 N ATOM 1646 CA ASP A 134 12.638 1.788 3.476 1.00 0.00 C ATOM 1647 C ASP A 134 11.923 0.738 4.329 1.00 0.00 C ATOM 1648 O ASP A 134 12.032 0.801 5.552 1.00 0.00 O ATOM 1649 CB ASP A 134 14.160 1.783 3.706 1.00 0.00 C ATOM 1650 CG ASP A 134 14.853 2.924 2.952 1.00 0.00 C ATOM 1651 OD1 ASP A 134 14.686 4.068 3.444 1.00 0.00 O ATOM 1652 OD2 ASP A 134 15.432 2.694 1.865 1.00 0.00 O ATOM 0 H ASP A 134 12.778 3.838 3.660 1.00 0.00 H new ATOM 0 HA ASP A 134 12.484 1.527 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 134 14.367 1.874 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.574 0.828 3.381 1.00 0.00 H new ATOM 1658 N PRO A 135 11.072 -0.116 3.728 1.00 0.00 N ATOM 1659 CA PRO A 135 10.079 -0.845 4.497 1.00 0.00 C ATOM 1660 C PRO A 135 10.705 -2.029 5.230 1.00 0.00 C ATOM 1661 O PRO A 135 10.528 -2.158 6.442 1.00 0.00 O ATOM 1662 CB PRO A 135 8.976 -1.216 3.505 1.00 0.00 C ATOM 1663 CG PRO A 135 9.688 -1.248 2.161 1.00 0.00 C ATOM 1664 CD PRO A 135 10.772 -0.187 2.309 1.00 0.00 C ATOM 0 HA PRO A 135 9.649 -0.250 5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 135 8.532 -2.182 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 135 8.169 -0.483 3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.113 -2.230 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.008 -1.016 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.660 -0.454 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.428 0.777 1.934 1.00 0.00 H new ATOM 1672 N GLY A 136 11.441 -2.877 4.503 1.00 0.00 N ATOM 1673 CA GLY A 136 12.368 -3.832 5.093 1.00 0.00 C ATOM 1674 C GLY A 136 13.689 -3.764 4.343 1.00 0.00 C ATOM 1675 O GLY A 136 14.725 -3.538 4.951 1.00 0.00 O ATOM 0 H GLY A 136 11.406 -2.915 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 136 12.522 -3.606 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 136 11.956 -4.840 5.040 1.00 0.00 H new ATOM 1679 N ILE A 137 13.639 -3.863 3.012 1.00 0.00 N ATOM 1680 CA ILE A 137 14.805 -3.970 2.129 1.00 0.00 C ATOM 1681 C ILE A 137 15.735 -5.085 2.597 1.00 0.00 C ATOM 1682 O ILE A 137 16.806 -4.819 3.144 1.00 0.00 O ATOM 1683 CB ILE A 137 15.521 -2.621 1.893 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.510 -1.524 1.511 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.569 -2.774 0.771 1.00 0.00 C ATOM 1686 CD1 ILE A 137 15.195 -0.225 1.087 1.00 0.00 C ATOM 0 H ILE A 137 12.756 -3.871 2.501 1.00 0.00 H new ATOM 0 HA ILE A 137 14.442 -4.251 1.140 1.00 0.00 H new ATOM 0 HB ILE A 137 16.017 -2.329 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.879 -1.882 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.854 -1.326 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 137 17.071 -1.820 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.304 -3.526 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.074 -3.085 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.440 0.517 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.805 0.150 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.830 -0.414 0.221 1.00 0.00 H new