USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot -78:sc= -0.423 USER MOD Set 1.2: B 131 THR OG1 : rot 70:sc= -0.63 USER MOD Set 2.1: B 114 TYR OH : rot 171:sc= -0.136 USER MOD Set 2.2: B 123 ASN : amide:sc= 0.912 K(o=0.78,f=-7.3!) USER MOD Set 3.1: A 14 TYR OH : rot 0:sc= 0.208 USER MOD Set 3.2: A 23 ASN : amide:sc= 0.235 K(o=-5,f=-11!) USER MOD Set 3.3: B 103 GLN : amide:sc= -5.46! C(o=-5!,f=-4.9!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -73:sc= -3.31! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 150:sc= -0.353 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.019 USER MOD Single : A 25 SER OG : rot 180:sc= -0.753 USER MOD Single : A 29 SER OG : rot -113:sc= 0.698 USER MOD Single : A 30 THR OG1 : rot 95:sc= 1.12 USER MOD Single : A 32 MET CE :methyl 165:sc= -16.6! (180deg=-17.7!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.4!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot -27:sc= -2.81! USER MOD Single : B 108 THR OG1 : rot 54:sc= 0.041 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 55:sc= 0.923 USER MOD Single : B 115 GLN : amide:sc= -2.12! C(o=-2.1!,f=-8.9!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 150:sc= -0.275 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -162:sc= 1.19 USER MOD Single : B 130 THR OG1 : rot 79:sc= 1.09 USER MOD Single : B 132 MET CE :methyl -145:sc= -22! (180deg=-25.1!) USER MOD Single : B 133 GLN : amide:sc= 0.557 K(o=0.56,f=-13!) USER MOD Single : B 134 ASN : amide:sc=-0.00238 K(o=-0.0024,f=-1) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.718 -10.852 13.491 1.00 0.00 N ATOM 21 CA LYS A 2 4.256 -9.954 12.435 1.00 0.00 C ATOM 22 C LYS A 2 3.040 -10.544 11.722 1.00 0.00 C ATOM 23 O LYS A 2 2.862 -11.763 11.684 1.00 0.00 O ATOM 24 CB LYS A 2 5.385 -9.674 11.438 1.00 0.00 C ATOM 25 CG LYS A 2 6.021 -8.304 11.624 1.00 0.00 C ATOM 26 CD LYS A 2 7.451 -8.277 11.111 1.00 0.00 C ATOM 27 CE LYS A 2 8.440 -8.729 12.174 1.00 0.00 C ATOM 28 NZ LYS A 2 9.767 -9.073 11.582 1.00 0.00 N ATOM 0 HA LYS A 2 3.959 -9.010 12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.152 -10.441 11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.993 -9.751 10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.431 -7.554 11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.008 -8.036 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.536 -8.923 10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.702 -7.267 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.565 -7.939 12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.039 -9.596 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.415 -9.377 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.651 -9.844 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.160 -8.238 11.103 1.00 0.00 H new ATOM 42 N GLN A 3 2.203 -9.673 11.169 1.00 0.00 N ATOM 43 CA GLN A 3 0.997 -10.097 10.473 1.00 0.00 C ATOM 44 C GLN A 3 1.031 -9.677 9.021 1.00 0.00 C ATOM 45 O GLN A 3 0.985 -8.489 8.703 1.00 0.00 O ATOM 46 CB GLN A 3 -0.256 -9.513 11.150 1.00 0.00 C ATOM 47 CG GLN A 3 -1.536 -9.737 10.359 1.00 0.00 C ATOM 48 CD GLN A 3 -2.166 -11.091 10.619 1.00 0.00 C ATOM 49 OE1 GLN A 3 -2.853 -11.283 11.618 1.00 0.00 O ATOM 50 NE2 GLN A 3 -1.946 -12.037 9.718 1.00 0.00 N ATOM 0 H GLN A 3 2.341 -8.663 11.191 1.00 0.00 H new ATOM 0 HA GLN A 3 0.955 -11.185 10.522 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.366 -9.960 12.138 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.113 -8.443 11.298 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.253 -8.955 10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.320 -9.642 9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.369 -11.839 8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.354 -12.964 9.842 1.00 0.00 H new ATOM 59 N ARG A 4 1.095 -10.653 8.136 1.00 0.00 N ATOM 60 CA ARG A 4 1.115 -10.355 6.724 1.00 0.00 C ATOM 61 C ARG A 4 -0.280 -10.065 6.218 1.00 0.00 C ATOM 62 O ARG A 4 -1.093 -10.976 6.046 1.00 0.00 O ATOM 63 CB ARG A 4 1.729 -11.492 5.919 1.00 0.00 C ATOM 64 CG ARG A 4 2.661 -10.994 4.833 1.00 0.00 C ATOM 65 CD ARG A 4 3.337 -12.148 4.107 1.00 0.00 C ATOM 66 NE ARG A 4 4.761 -12.275 4.455 1.00 0.00 N ATOM 67 CZ ARG A 4 5.228 -12.933 5.512 1.00 0.00 C ATOM 68 NH1 ARG A 4 4.412 -13.571 6.325 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.525 -12.971 5.743 1.00 0.00 N ATOM 0 H ARG A 4 1.133 -11.645 8.369 1.00 0.00 H new ATOM 0 HA ARG A 4 1.735 -9.469 6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.278 -12.153 6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.933 -12.085 5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.100 -10.392 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.419 -10.345 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.822 -13.078 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.241 -12.003 3.031 1.00 0.00 H new ATOM 0 HE ARG A 4 5.440 -11.825 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.408 -13.565 6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.784 -14.072 7.132 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.170 -12.496 5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.884 -13.475 6.554 1.00 0.00 H new ATOM 83 N ILE A 5 -0.529 -8.802 5.923 1.00 0.00 N ATOM 84 CA ILE A 5 -1.802 -8.398 5.362 1.00 0.00 C ATOM 85 C ILE A 5 -1.527 -7.943 3.965 1.00 0.00 C ATOM 86 O ILE A 5 -0.610 -7.149 3.727 1.00 0.00 O ATOM 87 CB ILE A 5 -2.535 -7.299 6.171 1.00 0.00 C ATOM 88 CG1 ILE A 5 -2.429 -5.901 5.509 1.00 0.00 C ATOM 89 CG2 ILE A 5 -2.033 -7.291 7.606 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.195 -5.104 5.875 1.00 0.00 C ATOM 0 H ILE A 5 0.134 -8.040 6.063 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.484 -9.248 5.391 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.598 -7.540 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.452 -6.027 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.310 -5.320 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.553 -6.516 8.169 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.224 -8.262 8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.962 -7.090 7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.216 -4.143 5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.175 -4.938 6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.304 -5.656 5.576 1.00 0.00 H new ATOM 102 N THR A 6 -2.255 -8.477 3.025 1.00 0.00 N ATOM 103 CA THR A 6 -1.997 -8.131 1.660 1.00 0.00 C ATOM 104 C THR A 6 -3.242 -7.672 0.933 1.00 0.00 C ATOM 105 O THR A 6 -4.301 -8.292 1.020 1.00 0.00 O ATOM 106 CB THR A 6 -1.297 -9.294 0.945 1.00 0.00 C ATOM 107 OG1 THR A 6 -1.742 -9.428 -0.389 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.467 -10.641 1.619 1.00 0.00 C ATOM 0 H THR A 6 -3.016 -9.140 3.175 1.00 0.00 H new ATOM 0 HA THR A 6 -1.324 -7.274 1.651 1.00 0.00 H new ATOM 0 HB THR A 6 -0.242 -9.025 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.649 -9.799 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.940 -11.404 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.057 -10.597 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.527 -10.892 1.668 1.00 0.00 H new ATOM 116 N VAL A 7 -3.073 -6.600 0.171 1.00 0.00 N ATOM 117 CA VAL A 7 -4.135 -6.046 -0.646 1.00 0.00 C ATOM 118 C VAL A 7 -3.898 -6.517 -2.071 1.00 0.00 C ATOM 119 O VAL A 7 -2.956 -6.070 -2.722 1.00 0.00 O ATOM 120 CB VAL A 7 -4.196 -4.480 -0.567 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.072 -3.927 0.294 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.166 -3.820 -1.953 1.00 0.00 C ATOM 0 H VAL A 7 -2.191 -6.091 0.104 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.100 -6.394 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.152 -4.235 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.142 -2.840 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.156 -4.329 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.111 -4.215 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.210 -2.737 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.245 -4.094 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.022 -4.160 -2.536 1.00 0.00 H new ATOM 132 N THR A 8 -4.707 -7.446 -2.545 1.00 0.00 N ATOM 133 CA THR A 8 -4.532 -7.966 -3.887 1.00 0.00 C ATOM 134 C THR A 8 -4.914 -6.897 -4.916 1.00 0.00 C ATOM 135 O THR A 8 -6.081 -6.771 -5.291 1.00 0.00 O ATOM 136 CB THR A 8 -5.345 -9.250 -4.058 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.609 -9.142 -3.427 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.659 -10.467 -3.477 1.00 0.00 C ATOM 0 H THR A 8 -5.485 -7.853 -2.026 1.00 0.00 H new ATOM 0 HA THR A 8 -3.484 -8.218 -4.052 1.00 0.00 H new ATOM 0 HB THR A 8 -5.451 -9.378 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.110 -9.975 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.286 -11.346 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.699 -10.615 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.497 -10.318 -2.409 1.00 0.00 H new ATOM 146 N VAL A 9 -3.916 -6.111 -5.344 1.00 0.00 N ATOM 147 CA VAL A 9 -4.138 -5.025 -6.306 1.00 0.00 C ATOM 148 C VAL A 9 -4.089 -5.520 -7.757 1.00 0.00 C ATOM 149 O VAL A 9 -4.679 -6.553 -8.065 1.00 0.00 O ATOM 150 CB VAL A 9 -3.148 -3.849 -6.110 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.710 -2.571 -6.717 1.00 0.00 C ATOM 152 CG2 VAL A 9 -2.852 -3.629 -4.643 1.00 0.00 C ATOM 0 H VAL A 9 -2.948 -6.208 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.143 -4.654 -6.105 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.219 -4.107 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.001 -1.756 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.877 -2.718 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.654 -2.323 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.155 -2.798 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.778 -3.398 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.410 -4.532 -4.222 1.00 0.00 H new ATOM 162 N ASP A 10 -3.460 -4.737 -8.659 1.00 0.00 N ATOM 163 CA ASP A 10 -3.419 -5.038 -10.092 1.00 0.00 C ATOM 164 C ASP A 10 -4.606 -4.322 -10.760 1.00 0.00 C ATOM 165 O ASP A 10 -4.684 -4.207 -11.984 1.00 0.00 O ATOM 166 CB ASP A 10 -3.424 -6.549 -10.360 1.00 0.00 C ATOM 167 CG ASP A 10 -3.078 -6.908 -11.795 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.169 -6.275 -12.366 1.00 0.00 O ATOM 169 OD2 ASP A 10 -3.710 -7.842 -12.339 1.00 0.00 O ATOM 0 H ASP A 10 -2.968 -3.880 -8.407 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.486 -4.673 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.712 -7.032 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.409 -6.950 -10.120 1.00 0.00 H new ATOM 174 N SER A 11 -5.504 -3.796 -9.906 1.00 0.00 N ATOM 175 CA SER A 11 -6.672 -3.036 -10.333 1.00 0.00 C ATOM 176 C SER A 11 -6.749 -1.706 -9.559 1.00 0.00 C ATOM 177 O SER A 11 -6.855 -0.649 -10.174 1.00 0.00 O ATOM 178 CB SER A 11 -7.954 -3.855 -10.132 1.00 0.00 C ATOM 179 OG SER A 11 -8.266 -4.609 -11.295 1.00 0.00 O ATOM 0 H SER A 11 -5.430 -3.893 -8.893 1.00 0.00 H new ATOM 0 HA SER A 11 -6.576 -2.816 -11.396 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.831 -4.526 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.782 -3.188 -9.894 1.00 0.00 H new ATOM 0 HG SER A 11 -9.086 -5.123 -11.141 1.00 0.00 H new ATOM 185 N ASP A 12 -6.724 -1.776 -8.205 1.00 0.00 N ATOM 186 CA ASP A 12 -6.815 -0.585 -7.339 1.00 0.00 C ATOM 187 C ASP A 12 -5.853 0.555 -7.768 1.00 0.00 C ATOM 188 O ASP A 12 -6.178 1.327 -8.671 1.00 0.00 O ATOM 189 CB ASP A 12 -6.582 -1.005 -5.879 1.00 0.00 C ATOM 190 CG ASP A 12 -7.872 -1.091 -5.084 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.363 -0.032 -4.630 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.388 -2.215 -4.913 1.00 0.00 O ATOM 0 H ASP A 12 -6.641 -2.653 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.817 -0.169 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.082 -1.973 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.912 -0.290 -5.401 1.00 0.00 H new ATOM 197 N SER A 13 -4.683 0.697 -7.111 1.00 0.00 N ATOM 198 CA SER A 13 -3.723 1.769 -7.452 1.00 0.00 C ATOM 199 C SER A 13 -2.433 1.639 -6.606 1.00 0.00 C ATOM 200 O SER A 13 -1.859 2.634 -6.162 1.00 0.00 O ATOM 201 CB SER A 13 -4.366 3.147 -7.229 1.00 0.00 C ATOM 202 OG SER A 13 -4.034 4.043 -8.280 1.00 0.00 O ATOM 0 H SER A 13 -4.382 0.090 -6.349 1.00 0.00 H new ATOM 0 HA SER A 13 -3.456 1.669 -8.504 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.449 3.040 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.031 3.558 -6.277 1.00 0.00 H new ATOM 0 HG SER A 13 -4.763 4.686 -8.404 1.00 0.00 H new ATOM 208 N TYR A 14 -2.018 0.387 -6.377 1.00 0.00 N ATOM 209 CA TYR A 14 -0.830 0.036 -5.570 1.00 0.00 C ATOM 210 C TYR A 14 0.495 0.115 -6.349 1.00 0.00 C ATOM 211 O TYR A 14 1.544 0.432 -5.782 1.00 0.00 O ATOM 212 CB TYR A 14 -1.037 -1.373 -5.039 1.00 0.00 C ATOM 213 CG TYR A 14 0.176 -2.254 -5.116 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.106 -2.249 -4.099 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.378 -3.093 -6.199 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.216 -3.058 -4.145 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.483 -3.910 -6.266 1.00 0.00 C ATOM 218 CZ TYR A 14 2.403 -3.894 -5.236 1.00 0.00 C ATOM 219 OH TYR A 14 3.514 -4.704 -5.307 1.00 0.00 O ATOM 0 H TYR A 14 -2.503 -0.429 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.740 0.766 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.360 -1.312 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.847 -1.842 -5.597 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.960 -1.597 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.343 -3.106 -7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.936 -3.043 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.630 -4.559 -7.117 1.00 0.00 H new ATOM 0 HH TYR A 14 4.069 -4.568 -4.511 1.00 0.00 H new ATOM 229 N GLN A 15 0.452 -0.237 -7.623 1.00 0.00 N ATOM 230 CA GLN A 15 1.657 -0.276 -8.464 1.00 0.00 C ATOM 231 C GLN A 15 2.521 1.000 -8.374 1.00 0.00 C ATOM 232 O GLN A 15 3.732 0.893 -8.236 1.00 0.00 O ATOM 233 CB GLN A 15 1.291 -0.551 -9.935 1.00 0.00 C ATOM 234 CG GLN A 15 -0.205 -0.571 -10.225 1.00 0.00 C ATOM 235 CD GLN A 15 -0.518 -0.680 -11.706 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.714 -1.773 -12.225 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.564 0.451 -12.391 1.00 0.00 N ATOM 0 H GLN A 15 -0.405 -0.503 -8.108 1.00 0.00 H new ATOM 0 HA GLN A 15 2.260 -1.094 -8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.758 0.210 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.717 -1.510 -10.228 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.661 -1.410 -9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.659 0.337 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.395 1.340 -11.920 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.769 0.434 -13.390 1.00 0.00 H new ATOM 246 N LEU A 16 1.916 2.189 -8.450 1.00 0.00 N ATOM 247 CA LEU A 16 2.679 3.459 -8.383 1.00 0.00 C ATOM 248 C LEU A 16 3.639 3.530 -7.187 1.00 0.00 C ATOM 249 O LEU A 16 4.710 4.132 -7.275 1.00 0.00 O ATOM 250 CB LEU A 16 1.730 4.653 -8.301 1.00 0.00 C ATOM 251 CG LEU A 16 1.735 5.560 -9.531 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.493 6.439 -9.563 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.003 6.402 -9.550 1.00 0.00 C ATOM 0 H LEU A 16 0.909 2.309 -8.557 1.00 0.00 H new ATOM 0 HA LEU A 16 3.272 3.492 -9.297 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.717 4.284 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.992 5.248 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 16 1.719 4.937 -10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.520 7.075 -10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.397 5.810 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.465 7.062 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.999 7.046 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.045 7.017 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.874 5.747 -9.583 1.00 0.00 H new ATOM 265 N LEU A 17 3.239 2.914 -6.085 1.00 0.00 N ATOM 266 CA LEU A 17 4.066 2.913 -4.871 1.00 0.00 C ATOM 267 C LEU A 17 5.253 1.972 -5.010 1.00 0.00 C ATOM 268 O LEU A 17 6.410 2.397 -4.952 1.00 0.00 O ATOM 269 CB LEU A 17 3.241 2.537 -3.644 1.00 0.00 C ATOM 270 CG LEU A 17 2.867 3.698 -2.721 1.00 0.00 C ATOM 271 CD1 LEU A 17 2.553 3.186 -1.330 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.990 4.712 -2.659 1.00 0.00 C ATOM 0 H LEU A 17 2.356 2.410 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 17 4.445 3.926 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.324 2.052 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.798 1.800 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 17 1.980 4.185 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.289 4.024 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.717 2.488 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.427 2.677 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.705 5.530 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.892 4.233 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.183 5.103 -3.658 1.00 0.00 H new ATOM 284 N LYS A 18 4.967 0.698 -5.226 1.00 0.00 N ATOM 285 CA LYS A 18 6.011 -0.300 -5.412 1.00 0.00 C ATOM 286 C LYS A 18 6.818 0.024 -6.662 1.00 0.00 C ATOM 287 O LYS A 18 7.992 -0.332 -6.786 1.00 0.00 O ATOM 288 CB LYS A 18 5.370 -1.671 -5.548 1.00 0.00 C ATOM 289 CG LYS A 18 4.272 -1.662 -6.588 1.00 0.00 C ATOM 290 CD LYS A 18 4.372 -2.862 -7.519 1.00 0.00 C ATOM 291 CE LYS A 18 4.111 -2.476 -8.964 1.00 0.00 C ATOM 292 NZ LYS A 18 4.898 -3.318 -9.911 1.00 0.00 N ATOM 0 H LYS A 18 4.018 0.329 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 18 6.680 -0.295 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.128 -2.404 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.961 -1.981 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.301 -1.665 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.330 -0.743 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.364 -3.306 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.655 -3.623 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.048 -2.580 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.366 -1.427 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.694 -3.025 -10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.913 -3.200 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.636 -4.317 -9.787 1.00 0.00 H new ATOM 306 N ALA A 19 6.156 0.716 -7.579 1.00 0.00 N ATOM 307 CA ALA A 19 6.762 1.122 -8.833 1.00 0.00 C ATOM 308 C ALA A 19 7.939 2.049 -8.590 1.00 0.00 C ATOM 309 O ALA A 19 8.902 2.042 -9.356 1.00 0.00 O ATOM 310 CB ALA A 19 5.744 1.793 -9.744 1.00 0.00 C ATOM 0 H ALA A 19 5.185 1.010 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 19 7.125 0.222 -9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.227 2.086 -10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.933 1.097 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.341 2.677 -9.250 1.00 0.00 H new ATOM 316 N TYR A 20 7.874 2.845 -7.518 1.00 0.00 N ATOM 317 CA TYR A 20 8.963 3.748 -7.215 1.00 0.00 C ATOM 318 C TYR A 20 10.010 3.046 -6.344 1.00 0.00 C ATOM 319 O TYR A 20 11.196 3.226 -6.601 1.00 0.00 O ATOM 320 CB TYR A 20 8.455 5.102 -6.663 1.00 0.00 C ATOM 321 CG TYR A 20 8.054 5.175 -5.211 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.831 4.652 -4.190 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.861 5.793 -4.873 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.424 4.749 -2.874 1.00 0.00 C ATOM 325 CE2 TYR A 20 6.451 5.887 -3.573 1.00 0.00 C ATOM 326 CZ TYR A 20 7.232 5.366 -2.571 1.00 0.00 C ATOM 327 OH TYR A 20 6.824 5.466 -1.263 1.00 0.00 O ATOM 0 H TYR A 20 7.092 2.876 -6.864 1.00 0.00 H new ATOM 0 HA TYR A 20 9.476 4.016 -8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.236 5.844 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.595 5.404 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.765 4.163 -4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.242 6.209 -5.654 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.039 4.342 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.515 6.370 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 20 5.962 5.930 -1.224 1.00 0.00 H new ATOM 337 N ASP A 21 9.572 2.195 -5.370 1.00 0.00 N ATOM 338 CA ASP A 21 10.512 1.402 -4.521 1.00 0.00 C ATOM 339 C ASP A 21 9.985 1.191 -3.097 1.00 0.00 C ATOM 340 O ASP A 21 10.759 1.095 -2.144 1.00 0.00 O ATOM 341 CB ASP A 21 11.914 2.042 -4.463 1.00 0.00 C ATOM 342 CG ASP A 21 12.919 1.219 -3.674 1.00 0.00 C ATOM 343 OD1 ASP A 21 13.031 0.001 -3.936 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.599 1.796 -2.798 1.00 0.00 O ATOM 0 H ASP A 21 8.587 2.042 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 21 10.589 0.427 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.285 2.180 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.835 3.033 -4.015 1.00 0.00 H new ATOM 349 N VAL A 22 8.669 1.111 -2.951 1.00 0.00 N ATOM 350 CA VAL A 22 8.060 0.923 -1.641 1.00 0.00 C ATOM 351 C VAL A 22 6.638 0.422 -1.769 1.00 0.00 C ATOM 352 O VAL A 22 5.722 1.210 -2.000 1.00 0.00 O ATOM 353 CB VAL A 22 8.042 2.255 -0.862 1.00 0.00 C ATOM 354 CG1 VAL A 22 7.198 2.146 0.399 1.00 0.00 C ATOM 355 CG2 VAL A 22 9.450 2.704 -0.521 1.00 0.00 C ATOM 0 H VAL A 22 8.004 1.173 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 22 8.656 0.184 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 22 7.589 3.007 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.205 3.100 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.174 1.888 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.609 1.371 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.409 3.645 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.935 1.946 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.020 2.844 -1.440 1.00 0.00 H new ATOM 365 N ASN A 23 6.447 -0.886 -1.595 1.00 0.00 N ATOM 366 CA ASN A 23 5.108 -1.452 -1.656 1.00 0.00 C ATOM 367 C ASN A 23 4.247 -0.674 -0.655 1.00 0.00 C ATOM 368 O ASN A 23 3.623 0.325 -1.010 1.00 0.00 O ATOM 369 CB ASN A 23 5.143 -2.957 -1.336 1.00 0.00 C ATOM 370 CG ASN A 23 5.613 -3.797 -2.513 1.00 0.00 C ATOM 371 OD1 ASN A 23 4.821 -4.162 -3.379 1.00 0.00 O ATOM 372 ND2 ASN A 23 6.899 -4.118 -2.551 1.00 0.00 N ATOM 0 H ASN A 23 7.191 -1.560 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 23 4.686 -1.362 -2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.804 -3.128 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.147 -3.284 -1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.260 -4.686 -3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.527 -3.797 -1.814 1.00 0.00 H new ATOM 379 N ILE A 24 4.223 -1.121 0.596 1.00 0.00 N ATOM 380 CA ILE A 24 3.447 -0.411 1.620 1.00 0.00 C ATOM 381 C ILE A 24 3.829 -0.726 3.058 1.00 0.00 C ATOM 382 O ILE A 24 3.105 -0.318 3.970 1.00 0.00 O ATOM 383 CB ILE A 24 1.938 -0.634 1.504 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.602 -1.649 0.447 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.238 0.667 1.214 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.215 -2.985 0.747 1.00 0.00 C ATOM 0 H ILE A 24 4.717 -1.950 0.925 1.00 0.00 H new ATOM 0 HA ILE A 24 3.703 0.627 1.406 1.00 0.00 H new ATOM 0 HB ILE A 24 1.590 -1.025 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.520 -1.753 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.955 -1.296 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.165 0.493 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.432 1.373 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.610 1.079 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.950 -3.692 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.299 -2.885 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.842 -3.350 1.704 1.00 0.00 H new ATOM 398 N SER A 25 4.904 -1.474 3.280 1.00 0.00 N ATOM 399 CA SER A 25 5.273 -1.847 4.648 1.00 0.00 C ATOM 400 C SER A 25 5.026 -0.674 5.620 1.00 0.00 C ATOM 401 O SER A 25 4.185 -0.768 6.527 1.00 0.00 O ATOM 402 CB SER A 25 6.734 -2.318 4.723 1.00 0.00 C ATOM 403 OG SER A 25 7.613 -1.256 5.062 1.00 0.00 O ATOM 0 H SER A 25 5.525 -1.829 2.552 1.00 0.00 H new ATOM 0 HA SER A 25 4.639 -2.681 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.822 -3.113 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.029 -2.742 3.763 1.00 0.00 H new ATOM 0 HG SER A 25 8.532 -1.593 5.102 1.00 0.00 H new ATOM 409 N GLY A 26 5.739 0.438 5.409 1.00 0.00 N ATOM 410 CA GLY A 26 5.564 1.615 6.253 1.00 0.00 C ATOM 411 C GLY A 26 4.402 2.493 5.805 1.00 0.00 C ATOM 412 O GLY A 26 3.765 3.152 6.629 1.00 0.00 O ATOM 0 H GLY A 26 6.433 0.543 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.398 1.297 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.482 2.203 6.245 1.00 0.00 H new ATOM 416 N LEU A 27 4.123 2.502 4.498 1.00 0.00 N ATOM 417 CA LEU A 27 3.033 3.293 3.943 1.00 0.00 C ATOM 418 C LEU A 27 1.697 2.876 4.552 1.00 0.00 C ATOM 419 O LEU A 27 1.017 3.684 5.188 1.00 0.00 O ATOM 420 CB LEU A 27 2.996 3.128 2.420 1.00 0.00 C ATOM 421 CG LEU A 27 2.164 4.166 1.664 1.00 0.00 C ATOM 422 CD1 LEU A 27 0.759 3.641 1.410 1.00 0.00 C ATOM 423 CD2 LEU A 27 2.120 5.475 2.435 1.00 0.00 C ATOM 0 H LEU A 27 4.644 1.965 3.805 1.00 0.00 H new ATOM 0 HA LEU A 27 3.205 4.342 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.018 3.163 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.605 2.137 2.189 1.00 0.00 H new ATOM 0 HG LEU A 27 2.636 4.353 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.182 4.392 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.813 2.730 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.274 3.424 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.524 6.202 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.671 5.306 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.133 5.857 2.562 1.00 0.00 H new ATOM 435 N VAL A 28 1.340 1.600 4.367 1.00 0.00 N ATOM 436 CA VAL A 28 0.096 1.065 4.917 1.00 0.00 C ATOM 437 C VAL A 28 -0.015 1.424 6.393 1.00 0.00 C ATOM 438 O VAL A 28 -0.879 2.188 6.794 1.00 0.00 O ATOM 439 CB VAL A 28 0.014 -0.481 4.760 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.939 -1.104 5.773 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.419 -0.851 3.360 1.00 0.00 C ATOM 0 H VAL A 28 1.895 0.923 3.842 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.728 1.510 4.359 1.00 0.00 H new ATOM 0 HB VAL A 28 1.013 -0.876 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.967 -2.184 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.594 -0.881 6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.939 -0.693 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.470 -1.936 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.401 -0.423 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.302 -0.461 2.641 1.00 0.00 H new ATOM 451 N SER A 29 0.890 0.875 7.181 1.00 0.00 N ATOM 452 CA SER A 29 0.928 1.105 8.619 1.00 0.00 C ATOM 453 C SER A 29 0.850 2.581 9.002 1.00 0.00 C ATOM 454 O SER A 29 0.152 2.930 9.957 1.00 0.00 O ATOM 455 CB SER A 29 2.211 0.513 9.164 1.00 0.00 C ATOM 456 OG SER A 29 3.330 0.905 8.380 1.00 0.00 O ATOM 0 H SER A 29 1.625 0.253 6.843 1.00 0.00 H new ATOM 0 HA SER A 29 0.048 0.627 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.355 0.836 10.195 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.136 -0.574 9.178 1.00 0.00 H new ATOM 0 HG SER A 29 3.700 0.121 7.924 1.00 0.00 H new ATOM 462 N THR A 30 1.544 3.451 8.272 1.00 0.00 N ATOM 463 CA THR A 30 1.515 4.872 8.572 1.00 0.00 C ATOM 464 C THR A 30 0.142 5.413 8.285 1.00 0.00 C ATOM 465 O THR A 30 -0.488 6.039 9.140 1.00 0.00 O ATOM 466 CB THR A 30 2.540 5.634 7.736 1.00 0.00 C ATOM 467 OG1 THR A 30 3.851 5.204 8.038 1.00 0.00 O ATOM 468 CG2 THR A 30 2.478 7.134 7.940 1.00 0.00 C ATOM 0 H THR A 30 2.128 3.195 7.475 1.00 0.00 H new ATOM 0 HA THR A 30 1.762 5.005 9.625 1.00 0.00 H new ATOM 0 HB THR A 30 2.290 5.418 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.125 4.516 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.231 7.617 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.489 7.499 7.661 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.669 7.367 8.988 1.00 0.00 H new ATOM 476 N THR A 31 -0.319 5.176 7.066 1.00 0.00 N ATOM 477 CA THR A 31 -1.617 5.657 6.676 1.00 0.00 C ATOM 478 C THR A 31 -2.716 5.037 7.540 1.00 0.00 C ATOM 479 O THR A 31 -3.659 5.717 7.947 1.00 0.00 O ATOM 480 CB THR A 31 -1.881 5.437 5.184 1.00 0.00 C ATOM 481 OG1 THR A 31 -2.212 6.672 4.578 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.009 4.478 4.884 1.00 0.00 C ATOM 0 H THR A 31 0.185 4.660 6.345 1.00 0.00 H new ATOM 0 HA THR A 31 -1.631 6.734 6.845 1.00 0.00 H new ATOM 0 HB THR A 31 -0.962 5.003 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.146 6.894 4.777 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.127 4.381 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.781 3.502 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.934 4.858 5.317 1.00 0.00 H new ATOM 490 N MET A 32 -2.580 3.745 7.844 1.00 0.00 N ATOM 491 CA MET A 32 -3.556 3.053 8.670 1.00 0.00 C ATOM 492 C MET A 32 -3.710 3.714 10.030 1.00 0.00 C ATOM 493 O MET A 32 -4.794 4.125 10.377 1.00 0.00 O ATOM 494 CB MET A 32 -3.144 1.599 8.846 1.00 0.00 C ATOM 495 CG MET A 32 -3.043 0.855 7.538 1.00 0.00 C ATOM 496 SD MET A 32 -4.615 0.215 6.992 1.00 0.00 S ATOM 497 CE MET A 32 -4.120 -1.420 6.537 1.00 0.00 C ATOM 0 H MET A 32 -1.804 3.163 7.529 1.00 0.00 H new ATOM 0 HA MET A 32 -4.520 3.104 8.163 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.182 1.559 9.356 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.867 1.097 9.489 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.641 1.522 6.775 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.337 0.032 7.646 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.003 -2.049 6.425 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.576 -1.386 5.593 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.476 -1.834 7.312 1.00 0.00 H new ATOM 507 N GLN A 33 -2.630 3.830 10.796 1.00 0.00 N ATOM 508 CA GLN A 33 -2.701 4.461 12.120 1.00 0.00 C ATOM 509 C GLN A 33 -3.368 5.836 12.048 1.00 0.00 C ATOM 510 O GLN A 33 -4.130 6.218 12.940 1.00 0.00 O ATOM 511 CB GLN A 33 -1.298 4.569 12.715 1.00 0.00 C ATOM 512 CG GLN A 33 -1.132 5.656 13.771 1.00 0.00 C ATOM 513 CD GLN A 33 -0.021 6.631 13.435 1.00 0.00 C ATOM 514 OE1 GLN A 33 1.141 6.398 13.757 1.00 0.00 O ATOM 515 NE2 GLN A 33 -0.370 7.727 12.780 1.00 0.00 N ATOM 0 H GLN A 33 -1.702 3.501 10.531 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.316 3.836 12.768 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.032 3.609 13.157 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.590 4.756 11.908 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.070 6.202 13.876 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.924 5.192 14.735 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.347 7.883 12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.338 8.415 12.524 1.00 0.00 H new ATOM 524 N ASN A 34 -3.080 6.566 10.980 1.00 0.00 N ATOM 525 CA ASN A 34 -3.647 7.894 10.769 1.00 0.00 C ATOM 526 C ASN A 34 -5.123 7.801 10.410 1.00 0.00 C ATOM 527 O ASN A 34 -5.975 8.380 11.092 1.00 0.00 O ATOM 528 CB ASN A 34 -2.871 8.582 9.647 1.00 0.00 C ATOM 529 CG ASN A 34 -2.864 10.089 9.714 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.305 10.699 10.689 1.00 0.00 O ATOM 531 ND2 ASN A 34 -2.347 10.694 8.655 1.00 0.00 N ATOM 0 H ASN A 34 -2.451 6.259 10.238 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.565 8.474 11.688 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.841 8.227 9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.296 8.277 8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.301 11.712 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.995 10.141 7.873 1.00 0.00 H new ATOM 538 N GLU A 35 -5.428 7.039 9.364 1.00 0.00 N ATOM 539 CA GLU A 35 -6.808 6.845 8.944 1.00 0.00 C ATOM 540 C GLU A 35 -7.561 6.024 9.997 1.00 0.00 C ATOM 541 O GLU A 35 -8.784 6.094 10.100 1.00 0.00 O ATOM 542 CB GLU A 35 -6.849 6.181 7.567 1.00 0.00 C ATOM 543 CG GLU A 35 -6.600 7.162 6.420 1.00 0.00 C ATOM 544 CD GLU A 35 -5.231 7.826 6.476 1.00 0.00 C ATOM 545 OE1 GLU A 35 -5.087 8.839 7.198 1.00 0.00 O ATOM 546 OE2 GLU A 35 -4.302 7.337 5.795 1.00 0.00 O ATOM 0 H GLU A 35 -4.739 6.548 8.794 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.305 7.811 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.100 5.390 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.821 5.707 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.700 6.633 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.370 7.933 6.438 1.00 0.00 H new ATOM 553 N ALA A 36 -6.803 5.284 10.810 1.00 0.00 N ATOM 554 CA ALA A 36 -7.350 4.485 11.898 1.00 0.00 C ATOM 555 C ALA A 36 -7.782 5.411 13.023 1.00 0.00 C ATOM 556 O ALA A 36 -8.905 5.328 13.516 1.00 0.00 O ATOM 557 CB ALA A 36 -6.310 3.493 12.401 1.00 0.00 C ATOM 0 H ALA A 36 -5.788 5.225 10.728 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.211 3.922 11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.733 2.903 13.214 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.015 2.831 11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.436 4.034 12.763 1.00 0.00 H new ATOM 563 N ARG A 37 -6.881 6.323 13.402 1.00 0.00 N ATOM 564 CA ARG A 37 -7.179 7.300 14.436 1.00 0.00 C ATOM 565 C ARG A 37 -8.328 8.167 13.987 1.00 0.00 C ATOM 566 O ARG A 37 -9.303 8.376 14.709 1.00 0.00 O ATOM 567 CB ARG A 37 -5.993 8.210 14.668 1.00 0.00 C ATOM 568 CG ARG A 37 -5.427 8.133 16.070 1.00 0.00 C ATOM 569 CD ARG A 37 -4.604 9.366 16.392 1.00 0.00 C ATOM 570 NE ARG A 37 -4.803 9.825 17.771 1.00 0.00 N ATOM 571 CZ ARG A 37 -5.941 10.327 18.247 1.00 0.00 C ATOM 572 NH1 ARG A 37 -7.011 10.416 17.481 1.00 0.00 N ATOM 573 NH2 ARG A 37 -6.003 10.736 19.499 1.00 0.00 N ATOM 0 H ARG A 37 -5.944 6.399 13.006 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.422 6.761 15.351 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.208 7.957 13.955 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.291 9.238 14.463 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.240 8.036 16.789 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.807 7.242 16.167 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.548 9.147 16.233 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.870 10.168 15.703 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.012 9.755 18.412 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.973 10.098 16.512 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.877 10.802 17.857 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.181 10.667 20.099 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.873 11.121 19.867 1.00 0.00 H new ATOM 587 N ARG A 38 -8.171 8.693 12.780 1.00 0.00 N ATOM 588 CA ARG A 38 -9.166 9.567 12.204 1.00 0.00 C ATOM 589 C ARG A 38 -10.495 8.826 11.983 1.00 0.00 C ATOM 590 O ARG A 38 -11.549 9.326 12.380 1.00 0.00 O ATOM 591 CB ARG A 38 -8.658 10.176 10.892 1.00 0.00 C ATOM 592 CG ARG A 38 -8.191 11.618 11.034 1.00 0.00 C ATOM 593 CD ARG A 38 -9.324 12.536 11.470 1.00 0.00 C ATOM 594 NE ARG A 38 -8.964 13.337 12.646 1.00 0.00 N ATOM 595 CZ ARG A 38 -9.810 14.131 13.295 1.00 0.00 C ATOM 596 NH1 ARG A 38 -11.063 14.238 12.898 1.00 0.00 N ATOM 597 NH2 ARG A 38 -9.396 14.819 14.342 1.00 0.00 N ATOM 0 H ARG A 38 -7.360 8.525 12.185 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.349 10.377 12.910 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.834 9.571 10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.453 10.131 10.148 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.381 11.668 11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.787 11.965 10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.589 13.200 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.208 11.939 11.695 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.004 13.281 12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.388 13.710 12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.707 14.849 13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.428 14.741 14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.044 15.428 14.841 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.244 -9.682 -10.513 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.365 -9.392 -9.080 1.00 0.00 C ATOM 1186 C LYS B 102 -3.006 -9.493 -8.398 1.00 0.00 C ATOM 1187 O LYS B 102 -2.414 -10.572 -8.318 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.374 -10.323 -8.393 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.770 -10.297 -9.013 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.105 -8.932 -9.608 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.572 -8.572 -9.420 1.00 0.00 C ATOM 1192 NZ LYS B 102 -9.429 -9.141 -10.495 1.00 0.00 N ATOM 0 HA LYS B 102 -4.737 -8.372 -8.984 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.992 -11.343 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.450 -10.046 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.836 -11.058 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.509 -10.553 -8.254 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.482 -8.170 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.865 -8.931 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.914 -8.939 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.680 -7.487 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.420 -8.872 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.120 -8.772 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.347 -10.178 -10.492 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.504 -8.364 -7.911 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.218 -8.341 -7.252 1.00 0.00 C ATOM 1208 C GLN B 103 -1.349 -8.438 -5.766 1.00 0.00 C ATOM 1209 O GLN B 103 -1.863 -7.531 -5.113 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.433 -7.082 -7.582 1.00 0.00 C ATOM 1211 CG GLN B 103 1.057 -7.326 -7.535 1.00 0.00 C ATOM 1212 CD GLN B 103 1.592 -7.715 -6.162 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.775 -6.880 -5.289 1.00 0.00 O ATOM 1214 NE2 GLN B 103 1.865 -8.995 -5.978 1.00 0.00 N ATOM 0 H GLN B 103 -2.972 -7.459 -7.963 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.681 -9.212 -7.626 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.713 -6.728 -8.574 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -0.695 -6.294 -6.876 1.00 0.00 H new ATOM 0 HG2 GLN B 103 1.305 -8.115 -8.244 1.00 0.00 H new ATOM 0 HG3 GLN B 103 1.571 -6.424 -7.869 1.00 0.00 H new ATOM 0 HE21 GLN B 103 1.700 -9.665 -6.729 1.00 0.00 H new ATOM 0 HE22 GLN B 103 2.241 -9.313 -5.085 1.00 0.00 H new ATOM 1223 N ARG B 104 -0.851 -9.522 -5.227 1.00 0.00 N ATOM 1224 CA ARG B 104 -0.903 -9.696 -3.799 1.00 0.00 C ATOM 1225 C ARG B 104 0.212 -8.882 -3.160 1.00 0.00 C ATOM 1226 O ARG B 104 1.366 -9.313 -3.103 1.00 0.00 O ATOM 1227 CB ARG B 104 -0.785 -11.165 -3.409 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.496 -11.485 -2.105 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.668 -12.977 -1.928 1.00 0.00 C ATOM 1230 NE ARG B 104 -1.715 -13.358 -0.516 1.00 0.00 N ATOM 1231 CZ ARG B 104 -0.657 -13.393 0.284 1.00 0.00 C ATOM 1232 NH1 ARG B 104 0.544 -13.152 -0.192 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -0.801 -13.675 1.565 1.00 0.00 N ATOM 0 H ARG B 104 -0.413 -10.284 -5.744 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.870 -9.345 -3.438 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.200 -11.782 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.269 -11.429 -3.318 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -0.927 -11.080 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.472 -11.000 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -2.586 -13.297 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -0.845 -13.498 -2.417 1.00 0.00 H new ATOM 0 HE ARG B 104 -2.620 -13.613 -0.121 1.00 0.00 H new ATOM 0 HH11 ARG B 104 0.667 -12.937 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG B 104 1.353 -13.180 0.428 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -1.728 -13.867 1.944 1.00 0.00 H new ATOM 0 HH22 ARG B 104 0.015 -13.701 2.176 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.151 -7.709 -2.666 1.00 0.00 N ATOM 1248 CA ILE B 105 0.797 -6.830 -2.007 1.00 0.00 C ATOM 1249 C ILE B 105 0.634 -7.021 -0.516 1.00 0.00 C ATOM 1250 O ILE B 105 -0.413 -6.719 0.047 1.00 0.00 O ATOM 1251 CB ILE B 105 0.596 -5.354 -2.424 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.203 -4.579 -1.384 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.112 -5.288 -3.766 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.260 -3.099 -1.656 1.00 0.00 C ATOM 0 H ILE B 105 -1.102 -7.343 -2.710 1.00 0.00 H new ATOM 0 HA ILE B 105 1.814 -7.083 -2.306 1.00 0.00 H new ATOM 0 HB ILE B 105 1.581 -4.894 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.218 -4.974 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.238 -4.744 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.250 -4.246 -4.054 1.00 0.00 H new ATOM 0 HG22 ILE B 105 0.489 -5.796 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -1.084 -5.775 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -0.844 -2.608 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.751 -2.691 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -0.728 -2.925 -2.625 1.00 0.00 H new ATOM 1266 N THR B 106 1.631 -7.616 0.104 1.00 0.00 N ATOM 1267 CA THR B 106 1.545 -7.949 1.516 1.00 0.00 C ATOM 1268 C THR B 106 2.560 -7.213 2.375 1.00 0.00 C ATOM 1269 O THR B 106 3.768 -7.410 2.246 1.00 0.00 O ATOM 1270 CB THR B 106 1.672 -9.488 1.671 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.879 -9.876 2.305 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.605 -10.246 0.349 1.00 0.00 C ATOM 0 H THR B 106 2.509 -7.880 -0.343 1.00 0.00 H new ATOM 0 HA THR B 106 0.575 -7.615 1.884 1.00 0.00 H new ATOM 0 HB THR B 106 0.812 -9.750 2.287 1.00 0.00 H new ATOM 0 HG1 THR B 106 3.568 -9.199 2.140 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.701 -11.315 0.537 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.649 -10.047 -0.136 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.417 -9.918 -0.300 1.00 0.00 H new ATOM 1280 N VAL B 107 2.038 -6.454 3.323 1.00 0.00 N ATOM 1281 CA VAL B 107 2.858 -5.757 4.314 1.00 0.00 C ATOM 1282 C VAL B 107 2.827 -6.573 5.602 1.00 0.00 C ATOM 1283 O VAL B 107 1.789 -6.640 6.264 1.00 0.00 O ATOM 1284 CB VAL B 107 2.381 -4.290 4.602 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.923 -4.086 4.224 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.590 -3.894 6.071 1.00 0.00 C ATOM 0 H VAL B 107 1.036 -6.300 3.432 1.00 0.00 H new ATOM 0 HA VAL B 107 3.868 -5.669 3.914 1.00 0.00 H new ATOM 0 HB VAL B 107 2.999 -3.644 3.978 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.632 -3.058 4.439 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.791 -4.286 3.161 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.299 -4.768 4.801 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.246 -2.871 6.225 1.00 0.00 H new ATOM 0 HG22 VAL B 107 2.023 -4.568 6.714 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.649 -3.962 6.319 1.00 0.00 H new ATOM 1296 N THR B 108 3.941 -7.207 5.960 1.00 0.00 N ATOM 1297 CA THR B 108 3.986 -8.000 7.178 1.00 0.00 C ATOM 1298 C THR B 108 3.935 -7.067 8.382 1.00 0.00 C ATOM 1299 O THR B 108 4.961 -6.720 8.966 1.00 0.00 O ATOM 1300 CB THR B 108 5.238 -8.865 7.219 1.00 0.00 C ATOM 1301 OG1 THR B 108 6.377 -8.146 6.791 1.00 0.00 O ATOM 1302 CG2 THR B 108 5.140 -10.108 6.387 1.00 0.00 C ATOM 0 H THR B 108 4.812 -7.186 5.430 1.00 0.00 H new ATOM 0 HA THR B 108 3.126 -8.669 7.201 1.00 0.00 H new ATOM 0 HB THR B 108 5.335 -9.158 8.264 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.456 -7.318 7.310 1.00 0.00 H new ATOM 0 HG21 THR B 108 6.069 -10.673 6.466 1.00 0.00 H new ATOM 0 HG22 THR B 108 4.312 -10.720 6.744 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.968 -9.836 5.346 1.00 0.00 H new ATOM 1310 N VAL B 109 2.727 -6.632 8.702 1.00 0.00 N ATOM 1311 CA VAL B 109 2.494 -5.694 9.787 1.00 0.00 C ATOM 1312 C VAL B 109 2.297 -6.407 11.152 1.00 0.00 C ATOM 1313 O VAL B 109 3.057 -7.326 11.459 1.00 0.00 O ATOM 1314 CB VAL B 109 1.325 -4.767 9.398 1.00 0.00 C ATOM 1315 CG1 VAL B 109 0.016 -5.527 9.357 1.00 0.00 C ATOM 1316 CG2 VAL B 109 1.247 -3.538 10.293 1.00 0.00 C ATOM 0 H VAL B 109 1.878 -6.921 8.215 1.00 0.00 H new ATOM 0 HA VAL B 109 3.381 -5.078 9.934 1.00 0.00 H new ATOM 0 HB VAL B 109 1.520 -4.400 8.390 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -0.790 -4.848 9.080 1.00 0.00 H new ATOM 0 HG12 VAL B 109 0.084 -6.329 8.622 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -0.189 -5.952 10.340 1.00 0.00 H new ATOM 0 HG21 VAL B 109 0.409 -2.914 9.982 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.103 -3.850 11.327 1.00 0.00 H new ATOM 0 HG23 VAL B 109 2.173 -2.969 10.211 1.00 0.00 H new ATOM 1326 N ASP B 110 1.363 -5.940 12.004 1.00 0.00 N ATOM 1327 CA ASP B 110 1.176 -6.491 13.365 1.00 0.00 C ATOM 1328 C ASP B 110 2.136 -5.773 14.328 1.00 0.00 C ATOM 1329 O ASP B 110 2.102 -5.958 15.544 1.00 0.00 O ATOM 1330 CB ASP B 110 1.413 -7.999 13.413 1.00 0.00 C ATOM 1331 CG ASP B 110 0.672 -8.680 14.546 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -0.519 -9.007 14.358 1.00 0.00 O ATOM 1333 OD2 ASP B 110 1.283 -8.895 15.614 1.00 0.00 O ATOM 0 H ASP B 110 0.723 -5.180 11.774 1.00 0.00 H new ATOM 0 HA ASP B 110 0.142 -6.322 13.664 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.102 -8.440 12.466 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.481 -8.190 13.518 1.00 0.00 H new ATOM 1338 N SER B 111 2.955 -4.905 13.737 1.00 0.00 N ATOM 1339 CA SER B 111 3.910 -4.080 14.454 1.00 0.00 C ATOM 1340 C SER B 111 3.641 -2.623 14.097 1.00 0.00 C ATOM 1341 O SER B 111 3.269 -1.823 14.951 1.00 0.00 O ATOM 1342 CB SER B 111 5.349 -4.468 14.084 1.00 0.00 C ATOM 1343 OG SER B 111 6.138 -4.693 15.243 1.00 0.00 O ATOM 0 H SER B 111 2.969 -4.757 12.728 1.00 0.00 H new ATOM 0 HA SER B 111 3.796 -4.230 15.528 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.338 -5.368 13.469 1.00 0.00 H new ATOM 0 HB3 SER B 111 5.798 -3.677 13.484 1.00 0.00 H new ATOM 0 HG SER B 111 7.048 -4.940 14.976 1.00 0.00 H new ATOM 1349 N ASP B 112 3.853 -2.302 12.820 1.00 0.00 N ATOM 1350 CA ASP B 112 3.667 -0.953 12.289 1.00 0.00 C ATOM 1351 C ASP B 112 2.360 -0.284 12.779 1.00 0.00 C ATOM 1352 O ASP B 112 2.392 0.464 13.763 1.00 0.00 O ATOM 1353 CB ASP B 112 3.735 -1.014 10.763 1.00 0.00 C ATOM 1354 CG ASP B 112 4.771 -1.999 10.253 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.514 -3.221 10.339 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.836 -1.555 9.780 1.00 0.00 O ATOM 0 H ASP B 112 4.161 -2.977 12.120 1.00 0.00 H new ATOM 0 HA ASP B 112 4.469 -0.320 12.669 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.756 -1.291 10.372 1.00 0.00 H new ATOM 0 HB3 ASP B 112 3.964 -0.021 10.375 1.00 0.00 H new ATOM 1361 N SER B 113 1.209 -0.516 12.102 1.00 0.00 N ATOM 1362 CA SER B 113 -0.075 0.104 12.514 1.00 0.00 C ATOM 1363 C SER B 113 -1.226 -0.239 11.536 1.00 0.00 C ATOM 1364 O SER B 113 -2.069 0.604 11.232 1.00 0.00 O ATOM 1365 CB SER B 113 0.077 1.627 12.607 1.00 0.00 C ATOM 1366 OG SER B 113 0.508 2.020 13.898 1.00 0.00 O ATOM 0 H SER B 113 1.142 -1.118 11.281 1.00 0.00 H new ATOM 0 HA SER B 113 -0.330 -0.304 13.492 1.00 0.00 H new ATOM 0 HB2 SER B 113 0.794 1.970 11.861 1.00 0.00 H new ATOM 0 HB3 SER B 113 -0.875 2.105 12.377 1.00 0.00 H new ATOM 0 HG SER B 113 1.333 1.544 14.126 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.246 -1.486 11.064 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.275 -1.988 10.123 1.00 0.00 C ATOM 1374 C TYR B 114 -3.557 -2.447 10.819 1.00 0.00 C ATOM 1375 O TYR B 114 -4.662 -2.236 10.313 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.709 -3.168 9.347 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.714 -4.271 9.114 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -2.902 -5.283 10.045 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -3.470 -4.289 7.968 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -3.819 -6.290 9.829 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -4.396 -5.288 7.732 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.565 -6.294 8.668 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.476 -7.304 8.450 1.00 0.00 O ATOM 0 H TYR B 114 -0.550 -2.187 11.319 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.533 -1.156 9.468 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.338 -2.816 8.385 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.855 -3.574 9.889 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -2.320 -5.282 10.955 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -3.338 -3.506 7.236 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -3.952 -7.070 10.564 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -4.983 -5.284 6.825 1.00 0.00 H new ATOM 0 HH TYR B 114 -6.021 -7.089 7.664 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.383 -3.167 11.921 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.495 -3.786 12.640 1.00 0.00 C ATOM 1395 C GLN B 115 -5.676 -2.839 12.886 1.00 0.00 C ATOM 1396 O GLN B 115 -6.814 -3.272 12.777 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.994 -4.370 13.968 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.764 -5.270 13.829 1.00 0.00 C ATOM 1399 CD GLN B 115 -1.457 -4.496 13.797 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -1.045 -3.995 12.749 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -0.795 -4.392 14.936 1.00 0.00 N ATOM 0 H GLN B 115 -2.470 -3.339 12.342 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.876 -4.580 11.998 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -3.757 -3.551 14.647 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.800 -4.942 14.428 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.741 -5.974 14.660 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.853 -5.858 12.915 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.168 -4.820 15.783 1.00 0.00 H new ATOM 0 HE22 GLN B 115 0.089 -3.883 14.968 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.441 -1.573 13.209 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.560 -0.648 13.446 1.00 0.00 C ATOM 1412 C LEU B 116 -7.463 -0.516 12.206 1.00 0.00 C ATOM 1413 O LEU B 116 -8.677 -0.723 12.286 1.00 0.00 O ATOM 1414 CB LEU B 116 -6.050 0.741 13.839 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.569 1.269 15.180 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.775 2.491 15.622 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -8.049 1.608 15.080 1.00 0.00 C ATOM 0 H LEU B 116 -4.513 -1.164 13.313 1.00 0.00 H new ATOM 0 HA LEU B 116 -7.145 -1.068 14.264 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.961 0.715 13.874 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -6.327 1.447 13.056 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.440 0.487 15.928 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -6.160 2.850 16.576 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.725 2.222 15.733 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.871 3.278 14.873 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -8.402 1.982 16.041 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -8.196 2.372 14.317 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.610 0.713 14.810 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.857 -0.139 11.078 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.619 0.058 9.833 1.00 0.00 C ATOM 1431 C LEU B 117 -8.486 -1.157 9.493 1.00 0.00 C ATOM 1432 O LEU B 117 -9.653 -1.023 9.121 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.693 0.371 8.673 1.00 0.00 C ATOM 1434 CG LEU B 117 -7.029 1.646 7.893 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -8.319 1.466 7.118 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -7.126 2.845 8.822 1.00 0.00 C ATOM 0 H LEU B 117 -5.855 0.035 10.996 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.281 0.908 10.000 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.675 0.456 9.054 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.705 -0.472 7.982 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.221 1.834 7.186 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -8.544 2.380 6.569 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.210 0.639 6.416 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -9.132 1.249 7.811 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -7.365 3.736 8.242 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.909 2.671 9.560 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.173 2.989 9.331 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.911 -2.336 9.643 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.626 -3.584 9.376 1.00 0.00 C ATOM 1450 C LYS B 118 -9.533 -3.940 10.547 1.00 0.00 C ATOM 1451 O LYS B 118 -10.606 -4.516 10.368 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.637 -4.711 9.119 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.732 -4.939 10.300 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.918 -6.325 10.894 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.864 -6.289 12.410 1.00 0.00 C ATOM 1456 NZ LYS B 118 -7.523 -7.480 13.017 1.00 0.00 N ATOM 0 H LYS B 118 -6.946 -2.462 9.950 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.243 -3.446 8.488 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.181 -5.629 8.895 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.036 -4.475 8.241 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.694 -4.812 9.992 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -6.933 -4.187 11.063 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.875 -6.735 10.572 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.143 -6.991 10.516 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.825 -6.244 12.735 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -7.350 -5.382 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -7.465 -7.418 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -8.521 -7.510 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -7.043 -8.344 12.694 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.088 -3.561 11.737 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.842 -3.792 12.965 1.00 0.00 C ATOM 1472 C ALA B 119 -11.207 -3.149 12.848 1.00 0.00 C ATOM 1473 O ALA B 119 -12.182 -3.638 13.418 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.100 -3.246 14.177 1.00 0.00 C ATOM 0 H ALA B 119 -8.197 -3.086 11.880 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.959 -4.867 13.105 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.686 -3.433 15.077 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.133 -3.741 14.265 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.949 -2.173 14.058 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.279 -2.058 12.081 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.536 -1.386 11.874 1.00 0.00 C ATOM 1482 C TYR B 120 -13.256 -1.997 10.672 1.00 0.00 C ATOM 1483 O TYR B 120 -14.431 -2.330 10.803 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.363 0.150 11.807 1.00 0.00 C ATOM 1485 CG TYR B 120 -12.028 0.768 10.461 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.810 0.546 9.332 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.922 1.609 10.335 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.498 1.138 8.126 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.610 2.204 9.135 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.400 1.965 8.031 1.00 0.00 C ATOM 1491 OH TYR B 120 -11.101 2.559 6.828 1.00 0.00 O ATOM 0 H TYR B 120 -10.483 -1.635 11.603 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.182 -1.545 12.737 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -13.286 0.607 12.164 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.577 0.429 12.508 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.674 -0.099 9.401 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.299 1.796 11.197 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -13.113 0.954 7.258 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.751 2.854 9.058 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.660 3.419 6.989 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.544 -2.217 9.532 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.166 -2.871 8.351 1.00 0.00 C ATOM 1503 C ASP B 121 -12.486 -2.540 7.013 1.00 0.00 C ATOM 1504 O ASP B 121 -13.165 -2.482 5.985 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.662 -2.516 8.221 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.548 -3.746 8.249 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.432 -4.578 7.323 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.361 -3.875 9.187 1.00 0.00 O ATOM 0 H ASP B 121 -11.565 -1.958 9.408 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.035 -3.936 8.544 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -14.947 -1.847 9.033 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -14.825 -1.974 7.289 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.171 -2.320 6.982 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.531 -1.992 5.705 1.00 0.00 C ATOM 1515 C VAL B 122 -9.105 -2.544 5.563 1.00 0.00 C ATOM 1516 O VAL B 122 -8.123 -1.843 5.824 1.00 0.00 O ATOM 1517 CB VAL B 122 -10.533 -0.461 5.478 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.628 -0.064 4.319 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.944 0.031 5.220 1.00 0.00 C ATOM 0 H VAL B 122 -10.549 -2.360 7.789 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.127 -2.485 4.937 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.146 0.006 6.384 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.655 1.018 4.190 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -8.606 -0.378 4.531 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.974 -0.547 3.405 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.930 1.109 5.062 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -12.344 -0.460 4.333 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.573 -0.202 6.079 1.00 0.00 H new ATOM 1529 N ASN B 123 -8.991 -3.808 5.136 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.673 -4.433 4.942 1.00 0.00 C ATOM 1531 C ASN B 123 -6.937 -3.800 3.754 1.00 0.00 C ATOM 1532 O ASN B 123 -6.638 -4.467 2.763 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.795 -5.940 4.724 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.039 -6.698 6.012 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -7.203 -6.694 6.916 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -9.185 -7.355 6.109 1.00 0.00 N ATOM 0 H ASN B 123 -9.783 -4.413 4.920 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.098 -4.260 5.852 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.612 -6.138 4.030 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.883 -6.311 4.256 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -9.401 -7.882 6.955 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -9.852 -7.334 5.338 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.688 -2.499 3.886 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.016 -1.637 2.922 1.00 0.00 C ATOM 1545 C ILE B 124 -6.380 -1.793 1.435 1.00 0.00 C ATOM 1546 O ILE B 124 -5.894 -1.001 0.629 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.502 -1.648 3.085 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.058 -2.812 3.935 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.009 -0.330 3.656 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.111 -4.068 3.150 1.00 0.00 C ATOM 0 H ILE B 124 -6.969 -1.988 4.723 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.427 -0.666 3.196 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.057 -1.771 2.098 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.043 -2.642 4.296 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.698 -2.896 4.813 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.925 -0.363 3.763 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.283 0.483 2.984 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.465 -0.163 4.632 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -3.788 -4.901 3.774 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.132 -4.243 2.811 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -3.452 -3.985 2.286 1.00 0.00 H new ATOM 1562 N SER B 125 -7.187 -2.785 1.050 1.00 0.00 N ATOM 1563 CA SER B 125 -7.531 -2.967 -0.365 1.00 0.00 C ATOM 1564 C SER B 125 -7.740 -1.603 -1.042 1.00 0.00 C ATOM 1565 O SER B 125 -6.980 -1.232 -1.941 1.00 0.00 O ATOM 1566 CB SER B 125 -8.792 -3.830 -0.507 1.00 0.00 C ATOM 1567 OG SER B 125 -8.499 -5.075 -1.124 1.00 0.00 O ATOM 0 H SER B 125 -7.608 -3.464 1.684 1.00 0.00 H new ATOM 0 HA SER B 125 -6.705 -3.480 -0.858 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.229 -4.003 0.476 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.536 -3.296 -1.097 1.00 0.00 H new ATOM 0 HG SER B 125 -9.320 -5.604 -1.200 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.745 -0.844 -0.584 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.000 0.484 -1.143 1.00 0.00 C ATOM 1575 C GLY B 126 -8.164 1.569 -0.473 1.00 0.00 C ATOM 1576 O GLY B 126 -7.811 2.571 -1.102 1.00 0.00 O ATOM 0 H GLY B 126 -9.384 -1.124 0.160 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.786 0.472 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.057 0.724 -1.033 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.837 1.362 0.805 1.00 0.00 N ATOM 1581 CA LEU B 127 -7.031 2.293 1.571 1.00 0.00 C ATOM 1582 C LEU B 127 -5.670 2.481 0.909 1.00 0.00 C ATOM 1583 O LEU B 127 -5.312 3.590 0.496 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.852 1.733 2.978 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.648 2.745 4.092 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -5.502 2.283 4.965 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.381 4.125 3.527 1.00 0.00 C ATOM 0 H LEU B 127 -8.129 0.539 1.332 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.528 3.262 1.614 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.729 1.132 3.220 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.996 1.058 2.970 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.555 2.814 4.693 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -5.345 3.001 5.770 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -5.739 1.308 5.390 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.595 2.206 4.365 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.238 4.832 4.345 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.483 4.098 2.910 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.229 4.440 2.919 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.920 1.380 0.805 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.605 1.402 0.177 1.00 0.00 C ATOM 1601 C VAL B 128 -3.671 2.098 -1.184 1.00 0.00 C ATOM 1602 O VAL B 128 -3.001 3.094 -1.404 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.051 -0.033 0.016 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.185 -0.171 -1.223 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.267 -0.422 1.252 1.00 0.00 C ATOM 0 H VAL B 128 -5.206 0.463 1.150 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.930 1.963 0.824 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.899 -0.707 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.817 -1.194 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.775 0.068 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.340 0.514 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -1.879 -1.434 1.133 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.437 0.271 1.390 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -2.920 -0.384 2.124 1.00 0.00 H new ATOM 1615 N SER B 129 -4.494 1.563 -2.083 1.00 0.00 N ATOM 1616 CA SER B 129 -4.662 2.125 -3.425 1.00 0.00 C ATOM 1617 C SER B 129 -4.934 3.628 -3.395 1.00 0.00 C ATOM 1618 O SER B 129 -4.405 4.370 -4.224 1.00 0.00 O ATOM 1619 CB SER B 129 -5.808 1.422 -4.150 1.00 0.00 C ATOM 1620 OG SER B 129 -7.045 2.093 -3.960 1.00 0.00 O ATOM 0 H SER B 129 -5.060 0.734 -1.906 1.00 0.00 H new ATOM 0 HA SER B 129 -3.724 1.964 -3.957 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.584 1.367 -5.215 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.892 0.397 -3.789 1.00 0.00 H new ATOM 0 HG SER B 129 -7.783 1.485 -4.174 1.00 0.00 H new ATOM 1626 N THR B 130 -5.741 4.086 -2.438 1.00 0.00 N ATOM 1627 CA THR B 130 -6.044 5.504 -2.329 1.00 0.00 C ATOM 1628 C THR B 130 -4.814 6.240 -1.865 1.00 0.00 C ATOM 1629 O THR B 130 -4.402 7.238 -2.461 1.00 0.00 O ATOM 1630 CB THR B 130 -7.190 5.749 -1.349 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.389 5.173 -1.830 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.453 7.219 -1.097 1.00 0.00 C ATOM 0 H THR B 130 -6.191 3.499 -1.736 1.00 0.00 H new ATOM 0 HA THR B 130 -6.352 5.870 -3.309 1.00 0.00 H new ATOM 0 HB THR B 130 -6.879 5.286 -0.413 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.379 4.208 -1.661 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.278 7.325 -0.393 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.559 7.683 -0.681 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.712 7.708 -2.036 1.00 0.00 H new ATOM 1640 N THR B 131 -4.224 5.734 -0.792 1.00 0.00 N ATOM 1641 CA THR B 131 -3.034 6.338 -0.238 1.00 0.00 C ATOM 1642 C THR B 131 -1.888 6.314 -1.243 1.00 0.00 C ATOM 1643 O THR B 131 -1.180 7.308 -1.419 1.00 0.00 O ATOM 1644 CB THR B 131 -2.604 5.648 1.058 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.712 5.417 1.914 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.595 6.463 1.827 1.00 0.00 C ATOM 0 H THR B 131 -4.554 4.908 -0.293 1.00 0.00 H new ATOM 0 HA THR B 131 -3.279 7.375 -0.009 1.00 0.00 H new ATOM 0 HB THR B 131 -2.156 4.702 0.754 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.287 4.725 1.525 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.319 5.934 2.739 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.707 6.616 1.213 1.00 0.00 H new ATOM 0 HG23 THR B 131 -2.028 7.429 2.085 1.00 0.00 H new ATOM 1654 N MET B 132 -1.724 5.177 -1.911 1.00 0.00 N ATOM 1655 CA MET B 132 -0.681 5.005 -2.906 1.00 0.00 C ATOM 1656 C MET B 132 -0.828 6.013 -4.032 1.00 0.00 C ATOM 1657 O MET B 132 0.085 6.775 -4.293 1.00 0.00 O ATOM 1658 CB MET B 132 -0.733 3.595 -3.482 1.00 0.00 C ATOM 1659 CG MET B 132 -0.368 2.516 -2.488 1.00 0.00 C ATOM 1660 SD MET B 132 0.591 1.206 -3.249 1.00 0.00 S ATOM 1661 CE MET B 132 0.914 0.173 -1.845 1.00 0.00 C ATOM 0 H MET B 132 -2.310 4.353 -1.776 1.00 0.00 H new ATOM 0 HA MET B 132 0.279 5.166 -2.415 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.738 3.404 -3.859 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.056 3.535 -4.334 1.00 0.00 H new ATOM 0 HG2 MET B 132 0.202 2.954 -1.669 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.277 2.097 -2.056 1.00 0.00 H new ATOM 0 HE1 MET B 132 1.905 -0.271 -1.940 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.871 0.772 -0.935 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.165 -0.618 -1.795 1.00 0.00 H new ATOM 1671 N GLN B 133 -1.986 6.011 -4.690 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.248 6.936 -5.796 1.00 0.00 C ATOM 1673 C GLN B 133 -2.021 8.386 -5.375 1.00 0.00 C ATOM 1674 O GLN B 133 -1.433 9.171 -6.120 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.681 6.753 -6.310 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.399 8.060 -6.653 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.305 7.949 -7.862 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.184 8.723 -8.811 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -6.220 6.994 -7.836 1.00 0.00 N ATOM 0 H GLN B 133 -2.759 5.380 -4.478 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.547 6.706 -6.599 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.658 6.121 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.260 6.221 -5.555 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.989 8.378 -5.794 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.656 8.837 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.287 6.373 -7.029 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -6.859 6.878 -8.623 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.490 8.732 -4.182 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.341 10.085 -3.660 1.00 0.00 C ATOM 1690 C ASN B 134 -0.876 10.396 -3.392 1.00 0.00 C ATOM 1691 O ASN B 134 -0.338 11.376 -3.913 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.175 10.205 -2.386 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.418 11.621 -1.934 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -3.371 12.566 -2.719 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.694 11.767 -0.649 1.00 0.00 N ATOM 0 H ASN B 134 -2.978 8.092 -3.556 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.695 10.810 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -4.137 9.718 -2.548 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.674 9.662 -1.585 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -3.880 12.695 -0.270 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.721 10.951 -0.037 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.220 9.530 -2.627 1.00 0.00 N ATOM 1703 CA GLU B 135 1.197 9.696 -2.348 1.00 0.00 C ATOM 1704 C GLU B 135 1.989 9.571 -3.649 1.00 0.00 C ATOM 1705 O GLU B 135 3.005 10.244 -3.838 1.00 0.00 O ATOM 1706 CB GLU B 135 1.666 8.646 -1.331 1.00 0.00 C ATOM 1707 CG GLU B 135 2.943 9.032 -0.595 1.00 0.00 C ATOM 1708 CD GLU B 135 2.777 10.274 0.259 1.00 0.00 C ATOM 1709 OE1 GLU B 135 2.946 11.389 -0.278 1.00 0.00 O ATOM 1710 OE2 GLU B 135 2.476 10.130 1.463 1.00 0.00 O ATOM 0 H GLU B 135 -0.646 8.711 -2.192 1.00 0.00 H new ATOM 0 HA GLU B 135 1.367 10.684 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU B 135 0.873 8.480 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU B 135 1.827 7.700 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.258 8.202 0.037 1.00 0.00 H new ATOM 0 HG3 GLU B 135 3.739 9.200 -1.321 1.00 0.00 H new ATOM 1717 N ALA B 136 1.485 8.729 -4.564 1.00 0.00 N ATOM 1718 CA ALA B 136 2.094 8.508 -5.866 1.00 0.00 C ATOM 1719 C ALA B 136 1.987 9.749 -6.741 1.00 0.00 C ATOM 1720 O ALA B 136 2.986 10.216 -7.283 1.00 0.00 O ATOM 1721 CB ALA B 136 1.426 7.324 -6.542 1.00 0.00 C ATOM 0 H ALA B 136 0.637 8.183 -4.411 1.00 0.00 H new ATOM 0 HA ALA B 136 3.153 8.294 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.882 7.158 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.553 6.434 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.363 7.529 -6.668 1.00 0.00 H new ATOM 1727 N ARG B 137 0.779 10.309 -6.869 1.00 0.00 N ATOM 1728 CA ARG B 137 0.622 11.519 -7.659 1.00 0.00 C ATOM 1729 C ARG B 137 1.563 12.556 -7.119 1.00 0.00 C ATOM 1730 O ARG B 137 2.360 13.146 -7.846 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.778 12.071 -7.559 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.515 12.074 -8.880 1.00 0.00 C ATOM 1733 CD ARG B 137 -3.007 12.156 -8.661 1.00 0.00 C ATOM 1734 NE ARG B 137 -3.711 11.013 -9.250 1.00 0.00 N ATOM 1735 CZ ARG B 137 -3.759 10.729 -10.550 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -3.234 11.542 -11.451 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -4.362 9.626 -10.941 1.00 0.00 N ATOM 0 H ARG B 137 -0.077 9.951 -6.446 1.00 0.00 H new ATOM 0 HA ARG B 137 0.830 11.278 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.343 11.482 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.733 13.090 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -1.185 12.919 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -1.274 11.169 -9.438 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -3.215 12.198 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -3.387 13.080 -9.097 1.00 0.00 H new ATOM 0 HE ARG B 137 -4.203 10.386 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -2.781 12.407 -11.155 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -3.282 11.305 -12.442 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -4.784 9.004 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -4.408 9.394 -11.933 1.00 0.00 H new ATOM 1751 N ARG B 138 1.454 12.752 -5.812 1.00 0.00 N ATOM 1752 CA ARG B 138 2.297 13.707 -5.124 1.00 0.00 C ATOM 1753 C ARG B 138 3.782 13.433 -5.430 1.00 0.00 C ATOM 1754 O ARG B 138 4.541 14.359 -5.721 1.00 0.00 O ATOM 1755 CB ARG B 138 2.041 13.669 -3.613 1.00 0.00 C ATOM 1756 CG ARG B 138 1.133 14.786 -3.119 1.00 0.00 C ATOM 1757 CD ARG B 138 1.920 16.040 -2.773 1.00 0.00 C ATOM 1758 NE ARG B 138 1.043 17.202 -2.582 1.00 0.00 N ATOM 1759 CZ ARG B 138 0.620 17.996 -3.559 1.00 0.00 C ATOM 1760 NH1 ARG B 138 0.985 17.782 -4.811 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -0.176 19.008 -3.280 1.00 0.00 N ATOM 0 H ARG B 138 0.790 12.261 -5.212 1.00 0.00 H new ATOM 0 HA ARG B 138 2.049 14.705 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.596 12.709 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.995 13.730 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG B 138 0.394 15.020 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG B 138 0.584 14.447 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG B 138 2.497 15.867 -1.864 1.00 0.00 H new ATOM 0 HD3 ARG B 138 2.634 16.251 -3.569 1.00 0.00 H new ATOM 0 HE ARG B 138 0.737 17.414 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG B 138 1.599 16.999 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG B 138 0.653 18.400 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -0.465 19.179 -2.317 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -0.503 19.620 -4.027 1.00 0.00 H new