USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ -179:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 1.07 K(o=2.3,f=-9.4!) USER MOD Set 2.1: A 26 THR OG1 : rot -58:sc= 1.84 USER MOD Set 2.2: A 62 THR OG1 : rot 154:sc= 1.18 USER MOD Single : A 5 THR OG1 : rot -170:sc= 0.174 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -67:sc= 1.1 USER MOD Single : A 29 THR OG1 : rot -92:sc= 0.0123 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.02 (180deg=0.451) USER MOD Single : A 34 THR OG1 : rot 81:sc= 0.21 USER MOD Single : A 36 MET CE :methyl 174:sc= 0 (180deg=-0.0225) USER MOD Single : A 38 SER OG : rot 71:sc= 1 USER MOD Single : A 41 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 42 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot -78:sc= 1.28 USER MOD Single : A 49 GLN : amide:sc= -0.016 K(o=-0.016,f=-1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.37) USER MOD Single : A 60 ASN : amide:sc= 0.089 K(o=0.089,f=-4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 174:sc= 0 (180deg=-0.0356) USER MOD Single : A 72 MET CE :methyl -142:sc= -0.346 (180deg=-0.876) USER MOD Single : A 97 ASN : amide:sc= 0.326 K(o=0.33,f=-4.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.00457 USER MOD Single : A 109 MET CE :methyl -155:sc=-0.00714 (180deg=-0.988) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.12) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -65:sc= 1.15 USER MOD Single : A 124 MET CE :methyl -161:sc= -0.321 (180deg=-0.762) USER MOD Single : A 135 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.714 K(o=0.71,f=-5.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 144 MET CE :methyl 165:sc= -0.165 (180deg=-0.754) USER MOD Single : A 145 MET CE :methyl 173:sc= 0 (180deg=-0.0842) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.807 15.918 0.105 1.00 0.00 N ATOM 59 CA THR A 5 -12.618 16.972 -0.420 1.00 0.00 C ATOM 60 C THR A 5 -14.064 16.616 -0.477 1.00 0.00 C ATOM 61 O THR A 5 -14.422 15.447 -0.611 1.00 0.00 O ATOM 62 CB THR A 5 -12.175 17.603 -1.707 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.328 16.807 -2.873 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.660 17.866 -1.745 1.00 0.00 C ATOM 0 HA THR A 5 -12.466 17.754 0.324 1.00 0.00 H new ATOM 0 HB THR A 5 -12.811 18.488 -1.720 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.871 17.238 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.394 18.323 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.387 18.538 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.124 16.923 -1.633 1.00 0.00 H new ATOM 72 N GLU A 6 -14.959 17.613 -0.589 1.00 0.00 N ATOM 73 CA GLU A 6 -16.376 17.449 -0.691 1.00 0.00 C ATOM 74 C GLU A 6 -16.696 16.845 -2.015 1.00 0.00 C ATOM 75 O GLU A 6 -17.632 16.058 -2.147 1.00 0.00 O ATOM 76 CB GLU A 6 -16.996 18.850 -0.561 1.00 0.00 C ATOM 77 CG GLU A 6 -16.581 19.692 0.647 1.00 0.00 C ATOM 78 CD GLU A 6 -15.261 20.444 0.540 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.471 20.347 -0.436 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.990 21.062 1.604 1.00 0.00 O ATOM 0 H GLU A 6 -14.676 18.593 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.771 16.792 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.753 19.411 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.080 18.738 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.370 20.418 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.529 19.036 1.516 1.00 0.00 H new ATOM 87 N GLU A 7 -15.983 17.261 -3.076 1.00 0.00 N ATOM 88 CA GLU A 7 -16.184 16.764 -4.402 1.00 0.00 C ATOM 89 C GLU A 7 -15.757 15.349 -4.594 1.00 0.00 C ATOM 90 O GLU A 7 -16.390 14.569 -5.303 1.00 0.00 O ATOM 91 CB GLU A 7 -15.225 17.446 -5.391 1.00 0.00 C ATOM 92 CG GLU A 7 -15.505 18.928 -5.644 1.00 0.00 C ATOM 93 CD GLU A 7 -14.496 19.418 -6.674 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.824 19.406 -7.890 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.437 19.987 -6.297 1.00 0.00 O ATOM 0 H GLU A 7 -15.246 17.963 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.251 16.925 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.207 17.343 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.270 16.916 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.523 19.069 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.416 19.498 -4.719 1.00 0.00 H new ATOM 102 N GLN A 8 -14.673 14.990 -3.882 1.00 0.00 N ATOM 103 CA GLN A 8 -14.245 13.627 -3.819 1.00 0.00 C ATOM 104 C GLN A 8 -15.219 12.705 -3.170 1.00 0.00 C ATOM 105 O GLN A 8 -15.419 11.559 -3.572 1.00 0.00 O ATOM 106 CB GLN A 8 -12.891 13.576 -3.092 1.00 0.00 C ATOM 107 CG GLN A 8 -11.707 13.919 -3.999 1.00 0.00 C ATOM 108 CD GLN A 8 -10.409 14.172 -3.246 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.308 14.050 -2.027 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.364 14.385 -4.090 1.00 0.00 N ATOM 0 H GLN A 8 -14.095 15.642 -3.352 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.159 13.269 -4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.910 14.271 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.746 12.578 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.553 13.102 -4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.955 14.804 -4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.528 14.476 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.416 14.454 -3.720 1.00 0.00 H new ATOM 119 N ILE A 9 -15.863 13.164 -2.082 1.00 0.00 N ATOM 120 CA ILE A 9 -16.904 12.448 -1.412 1.00 0.00 C ATOM 121 C ILE A 9 -18.161 12.404 -2.211 1.00 0.00 C ATOM 122 O ILE A 9 -18.952 11.463 -2.164 1.00 0.00 O ATOM 123 CB ILE A 9 -17.182 13.010 -0.050 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.959 12.835 0.866 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.440 12.394 0.586 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.973 13.385 2.291 1.00 0.00 C ATOM 0 H ILE A 9 -15.652 14.065 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.541 11.427 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.377 14.076 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.760 11.766 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.108 13.285 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.601 12.832 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.304 12.597 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.307 11.317 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.023 13.162 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.122 14.464 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.784 12.921 2.852 1.00 0.00 H new ATOM 138 N ALA A 10 -18.392 13.399 -3.086 1.00 0.00 N ATOM 139 CA ALA A 10 -19.460 13.285 -4.031 1.00 0.00 C ATOM 140 C ALA A 10 -19.180 12.479 -5.252 1.00 0.00 C ATOM 141 O ALA A 10 -20.114 11.999 -5.892 1.00 0.00 O ATOM 142 CB ALA A 10 -20.002 14.720 -4.138 1.00 0.00 C ATOM 0 H ALA A 10 -17.854 14.264 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.270 12.628 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.832 14.744 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.349 15.052 -3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.210 15.383 -4.486 1.00 0.00 H new ATOM 148 N GLU A 11 -17.893 12.235 -5.558 1.00 0.00 N ATOM 149 CA GLU A 11 -17.686 11.252 -6.576 1.00 0.00 C ATOM 150 C GLU A 11 -17.841 9.834 -6.145 1.00 0.00 C ATOM 151 O GLU A 11 -18.530 9.051 -6.797 1.00 0.00 O ATOM 152 CB GLU A 11 -16.266 11.461 -7.128 1.00 0.00 C ATOM 153 CG GLU A 11 -16.231 11.064 -8.605 1.00 0.00 C ATOM 154 CD GLU A 11 -14.902 11.247 -9.325 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.345 12.373 -9.228 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.460 10.322 -10.058 1.00 0.00 O ATOM 0 H GLU A 11 -17.067 12.670 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.468 11.401 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.969 12.504 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.552 10.862 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.521 10.016 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.988 11.644 -9.133 1.00 0.00 H new ATOM 163 N PHE A 12 -17.321 9.579 -4.931 1.00 0.00 N ATOM 164 CA PHE A 12 -17.512 8.360 -4.208 1.00 0.00 C ATOM 165 C PHE A 12 -18.948 7.988 -4.062 1.00 0.00 C ATOM 166 O PHE A 12 -19.238 6.797 -4.167 1.00 0.00 O ATOM 167 CB PHE A 12 -16.791 8.296 -2.851 1.00 0.00 C ATOM 168 CG PHE A 12 -15.338 7.969 -2.849 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.966 6.761 -3.391 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.374 8.885 -2.498 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.625 6.456 -3.386 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.041 8.547 -2.489 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.652 7.291 -2.889 1.00 0.00 C ATOM 0 H PHE A 12 -16.741 10.253 -4.431 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.031 7.613 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.917 9.261 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.301 7.555 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.696 6.080 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.669 9.887 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.318 5.505 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.302 9.266 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.623 6.972 -2.816 1.00 0.00 H new ATOM 183 N LYS A 13 -19.853 8.931 -3.746 1.00 0.00 N ATOM 184 CA LYS A 13 -21.231 8.717 -3.427 1.00 0.00 C ATOM 185 C LYS A 13 -21.901 8.284 -4.685 1.00 0.00 C ATOM 186 O LYS A 13 -22.740 7.391 -4.577 1.00 0.00 O ATOM 187 CB LYS A 13 -21.993 9.889 -2.785 1.00 0.00 C ATOM 188 CG LYS A 13 -23.374 9.561 -2.215 1.00 0.00 C ATOM 189 CD LYS A 13 -23.327 8.766 -0.909 1.00 0.00 C ATOM 190 CE LYS A 13 -24.533 7.838 -0.745 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.635 8.578 -0.090 1.00 0.00 N ATOM 0 H LYS A 13 -19.601 9.919 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.253 7.964 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.379 10.299 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -22.108 10.674 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.917 10.491 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.938 8.993 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.411 8.175 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.287 9.458 -0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.856 7.468 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.259 6.968 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.456 7.950 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.323 8.911 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.902 9.394 -0.677 1.00 0.00 H new ATOM 205 N GLU A 14 -21.636 8.795 -5.900 1.00 0.00 N ATOM 206 CA GLU A 14 -22.178 8.393 -7.161 1.00 0.00 C ATOM 207 C GLU A 14 -21.657 7.073 -7.616 1.00 0.00 C ATOM 208 O GLU A 14 -22.317 6.313 -8.324 1.00 0.00 O ATOM 209 CB GLU A 14 -21.953 9.448 -8.257 1.00 0.00 C ATOM 210 CG GLU A 14 -22.615 10.809 -8.032 1.00 0.00 C ATOM 211 CD GLU A 14 -24.108 10.587 -8.225 1.00 0.00 C ATOM 212 OE1 GLU A 14 -24.802 10.220 -7.239 1.00 0.00 O ATOM 213 OE2 GLU A 14 -24.546 10.805 -9.386 1.00 0.00 O ATOM 0 H GLU A 14 -20.977 9.566 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 14 -23.250 8.293 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.880 9.603 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -22.315 9.043 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.403 11.185 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.236 11.548 -8.738 1.00 0.00 H new ATOM 220 N ALA A 15 -20.373 6.793 -7.330 1.00 0.00 N ATOM 221 CA ALA A 15 -19.676 5.570 -7.582 1.00 0.00 C ATOM 222 C ALA A 15 -20.355 4.497 -6.802 1.00 0.00 C ATOM 223 O ALA A 15 -20.523 3.413 -7.357 1.00 0.00 O ATOM 224 CB ALA A 15 -18.194 5.589 -7.170 1.00 0.00 C ATOM 0 H ALA A 15 -19.771 7.485 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.699 5.406 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.741 4.623 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.673 6.372 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -18.116 5.785 -6.101 1.00 0.00 H new ATOM 230 N PHE A 16 -20.638 4.724 -5.507 1.00 0.00 N ATOM 231 CA PHE A 16 -21.150 3.756 -4.588 1.00 0.00 C ATOM 232 C PHE A 16 -22.528 3.342 -4.973 1.00 0.00 C ATOM 233 O PHE A 16 -22.881 2.164 -5.005 1.00 0.00 O ATOM 234 CB PHE A 16 -20.984 4.449 -3.224 1.00 0.00 C ATOM 235 CG PHE A 16 -21.602 3.661 -2.120 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.925 3.872 -1.812 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.795 3.010 -1.217 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.466 3.318 -0.676 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.347 2.448 -0.090 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.677 2.624 0.211 1.00 0.00 C ATOM 0 H PHE A 16 -20.501 5.638 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.632 2.797 -4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.924 4.593 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.439 5.439 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.541 4.474 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.732 2.940 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.522 3.429 -0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.726 1.859 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.093 2.226 1.125 1.00 0.00 H new ATOM 250 N SER A 17 -23.357 4.258 -5.505 1.00 0.00 N ATOM 251 CA SER A 17 -24.636 4.001 -6.091 1.00 0.00 C ATOM 252 C SER A 17 -24.628 3.146 -7.311 1.00 0.00 C ATOM 253 O SER A 17 -25.588 2.418 -7.560 1.00 0.00 O ATOM 254 CB SER A 17 -25.494 5.260 -6.301 1.00 0.00 C ATOM 255 OG SER A 17 -26.035 5.795 -5.102 1.00 0.00 O ATOM 0 H SER A 17 -23.115 5.249 -5.527 1.00 0.00 H new ATOM 0 HA SER A 17 -25.119 3.401 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.887 6.024 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.311 5.021 -6.982 1.00 0.00 H new ATOM 0 HG SER A 17 -26.566 6.592 -5.310 1.00 0.00 H new ATOM 261 N LEU A 18 -23.512 3.106 -8.061 1.00 0.00 N ATOM 262 CA LEU A 18 -23.392 2.155 -9.123 1.00 0.00 C ATOM 263 C LEU A 18 -23.020 0.802 -8.621 1.00 0.00 C ATOM 264 O LEU A 18 -23.398 -0.141 -9.314 1.00 0.00 O ATOM 265 CB LEU A 18 -22.454 2.577 -10.266 1.00 0.00 C ATOM 266 CG LEU A 18 -22.765 3.860 -11.054 1.00 0.00 C ATOM 267 CD1 LEU A 18 -21.598 4.354 -11.925 1.00 0.00 C ATOM 268 CD2 LEU A 18 -24.041 3.744 -11.906 1.00 0.00 C ATOM 0 H LEU A 18 -22.707 3.719 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.392 2.115 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.453 2.683 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -22.415 1.754 -10.980 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.933 4.609 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.894 5.262 -12.449 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.736 4.565 -11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.335 3.585 -12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -24.209 4.680 -12.439 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -23.926 2.933 -12.625 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -24.893 3.537 -11.259 1.00 0.00 H new ATOM 280 N PHE A 19 -22.327 0.686 -7.475 1.00 0.00 N ATOM 281 CA PHE A 19 -21.874 -0.548 -6.911 1.00 0.00 C ATOM 282 C PHE A 19 -22.923 -1.351 -6.222 1.00 0.00 C ATOM 283 O PHE A 19 -22.886 -2.575 -6.335 1.00 0.00 O ATOM 284 CB PHE A 19 -20.681 -0.431 -5.947 1.00 0.00 C ATOM 285 CG PHE A 19 -19.477 0.273 -6.469 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.878 0.124 -7.698 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.801 1.117 -5.620 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.698 0.729 -8.063 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.635 1.780 -5.922 1.00 0.00 C ATOM 290 CZ PHE A 19 -17.067 1.542 -7.151 1.00 0.00 C ATOM 0 H PHE A 19 -22.069 1.496 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.555 -1.068 -7.814 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.017 0.086 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.386 -1.436 -5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.366 -0.509 -8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -19.220 1.272 -4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.276 0.569 -9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -17.182 2.463 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.120 1.996 -7.402 1.00 0.00 H new ATOM 300 N ASP A 20 -23.875 -0.715 -5.516 1.00 0.00 N ATOM 301 CA ASP A 20 -25.062 -1.307 -4.983 1.00 0.00 C ATOM 302 C ASP A 20 -25.840 -2.010 -6.041 1.00 0.00 C ATOM 303 O ASP A 20 -26.276 -1.357 -6.988 1.00 0.00 O ATOM 304 CB ASP A 20 -25.966 -0.260 -4.309 1.00 0.00 C ATOM 305 CG ASP A 20 -26.700 -0.888 -3.133 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.099 -2.079 -3.224 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.916 -0.136 -2.145 1.00 0.00 O ATOM 0 H ASP A 20 -23.810 0.281 -5.304 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.738 -2.030 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.367 0.584 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.684 0.131 -5.030 1.00 0.00 H new ATOM 312 N LYS A 21 -26.058 -3.330 -5.901 1.00 0.00 N ATOM 313 CA LYS A 21 -26.807 -4.075 -6.864 1.00 0.00 C ATOM 314 C LYS A 21 -28.265 -3.842 -6.666 1.00 0.00 C ATOM 315 O LYS A 21 -28.980 -3.393 -7.560 1.00 0.00 O ATOM 316 CB LYS A 21 -26.467 -5.563 -6.676 1.00 0.00 C ATOM 317 CG LYS A 21 -27.221 -6.484 -7.637 1.00 0.00 C ATOM 318 CD LYS A 21 -26.803 -7.950 -7.511 1.00 0.00 C ATOM 319 CE LYS A 21 -27.818 -8.933 -8.098 1.00 0.00 C ATOM 320 NZ LYS A 21 -27.479 -10.347 -7.825 1.00 0.00 N ATOM 0 H LYS A 21 -25.713 -3.883 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.552 -3.759 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.395 -5.704 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.696 -5.854 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.291 -6.399 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.051 -6.150 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.845 -8.089 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.650 -8.185 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.804 -8.716 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.880 -8.782 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.202 -10.965 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.551 -10.568 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.446 -10.504 -6.797 1.00 0.00 H new ATOM 334 N ASP A 22 -28.839 -4.165 -5.493 1.00 0.00 N ATOM 335 CA ASP A 22 -30.238 -4.138 -5.199 1.00 0.00 C ATOM 336 C ASP A 22 -30.664 -2.728 -4.976 1.00 0.00 C ATOM 337 O ASP A 22 -31.769 -2.290 -5.291 1.00 0.00 O ATOM 338 CB ASP A 22 -30.508 -5.149 -4.071 1.00 0.00 C ATOM 339 CG ASP A 22 -29.631 -5.095 -2.829 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.394 -4.866 -2.901 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.187 -5.329 -1.722 1.00 0.00 O ATOM 0 H ASP A 22 -28.283 -4.467 -4.693 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.868 -4.468 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.543 -5.024 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.424 -6.150 -4.494 1.00 0.00 H new ATOM 346 N GLY A 23 -29.790 -1.915 -4.355 1.00 0.00 N ATOM 347 CA GLY A 23 -29.919 -0.494 -4.257 1.00 0.00 C ATOM 348 C GLY A 23 -30.272 0.027 -2.906 1.00 0.00 C ATOM 349 O GLY A 23 -30.908 1.070 -2.762 1.00 0.00 O ATOM 0 H GLY A 23 -28.950 -2.268 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.979 -0.039 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.681 -0.166 -4.964 1.00 0.00 H new ATOM 353 N ASP A 24 -29.848 -0.672 -1.839 1.00 0.00 N ATOM 354 CA ASP A 24 -30.328 -0.384 -0.523 1.00 0.00 C ATOM 355 C ASP A 24 -29.605 0.681 0.227 1.00 0.00 C ATOM 356 O ASP A 24 -29.985 1.081 1.326 1.00 0.00 O ATOM 357 CB ASP A 24 -30.323 -1.644 0.360 1.00 0.00 C ATOM 358 CG ASP A 24 -28.955 -2.211 0.710 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.331 -2.830 -0.192 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.673 -2.288 1.936 1.00 0.00 O ATOM 0 H ASP A 24 -29.174 -1.436 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.334 -0.011 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.847 -1.415 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.897 -2.420 -0.147 1.00 0.00 H new ATOM 365 N GLY A 25 -28.517 1.195 -0.374 1.00 0.00 N ATOM 366 CA GLY A 25 -27.628 2.120 0.257 1.00 0.00 C ATOM 367 C GLY A 25 -26.428 1.466 0.851 1.00 0.00 C ATOM 368 O GLY A 25 -25.639 2.199 1.445 1.00 0.00 O ATOM 0 H GLY A 25 -28.248 0.959 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.306 2.861 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.166 2.656 1.039 1.00 0.00 H new ATOM 372 N THR A 26 -26.288 0.129 0.837 1.00 0.00 N ATOM 373 CA THR A 26 -25.105 -0.485 1.354 1.00 0.00 C ATOM 374 C THR A 26 -24.630 -1.573 0.454 1.00 0.00 C ATOM 375 O THR A 26 -25.297 -2.097 -0.437 1.00 0.00 O ATOM 376 CB THR A 26 -25.277 -1.067 2.726 1.00 0.00 C ATOM 377 OG1 THR A 26 -25.968 -2.293 2.916 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.949 -0.133 3.746 1.00 0.00 C ATOM 0 H THR A 26 -26.985 -0.521 0.472 1.00 0.00 H new ATOM 0 HA THR A 26 -24.375 0.322 1.414 1.00 0.00 H new ATOM 0 HB THR A 26 -24.212 -1.241 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.878 -2.214 2.560 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.029 -0.641 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.350 0.770 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.945 0.135 3.393 1.00 0.00 H new ATOM 386 N ILE A 27 -23.372 -1.964 0.725 1.00 0.00 N ATOM 387 CA ILE A 27 -22.709 -3.013 0.014 1.00 0.00 C ATOM 388 C ILE A 27 -22.279 -4.198 0.808 1.00 0.00 C ATOM 389 O ILE A 27 -21.633 -4.046 1.843 1.00 0.00 O ATOM 390 CB ILE A 27 -21.564 -2.582 -0.854 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.614 -1.471 -0.375 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.266 -2.019 -2.101 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.328 -1.427 -1.199 1.00 0.00 C ATOM 0 H ILE A 27 -22.801 -1.540 1.457 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.536 -3.330 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.911 -3.451 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.120 -0.508 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.367 -1.632 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.518 -1.670 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.870 -2.800 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.908 -1.187 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.685 -0.629 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.808 -2.381 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.572 -1.240 -2.245 1.00 0.00 H new ATOM 405 N THR A 28 -22.719 -5.390 0.365 1.00 0.00 N ATOM 406 CA THR A 28 -22.474 -6.667 0.959 1.00 0.00 C ATOM 407 C THR A 28 -21.192 -7.211 0.429 1.00 0.00 C ATOM 408 O THR A 28 -20.498 -6.665 -0.427 1.00 0.00 O ATOM 409 CB THR A 28 -23.493 -7.727 0.663 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.814 -7.838 -0.716 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.848 -7.404 1.315 1.00 0.00 C ATOM 0 H THR A 28 -23.292 -5.464 -0.476 1.00 0.00 H new ATOM 0 HA THR A 28 -22.485 -6.469 2.031 1.00 0.00 H new ATOM 0 HB THR A 28 -23.029 -8.637 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.276 -7.026 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.562 -8.193 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.725 -7.337 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.219 -6.453 0.932 1.00 0.00 H new ATOM 419 N THR A 29 -20.748 -8.368 0.952 1.00 0.00 N ATOM 420 CA THR A 29 -19.701 -9.270 0.585 1.00 0.00 C ATOM 421 C THR A 29 -19.773 -9.619 -0.861 1.00 0.00 C ATOM 422 O THR A 29 -18.819 -9.529 -1.632 1.00 0.00 O ATOM 423 CB THR A 29 -19.649 -10.516 1.418 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.978 -10.974 1.620 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.056 -10.354 2.828 1.00 0.00 C ATOM 0 H THR A 29 -21.216 -8.727 1.784 1.00 0.00 H new ATOM 0 HA THR A 29 -18.775 -8.731 0.782 1.00 0.00 H new ATOM 0 HB THR A 29 -19.002 -11.194 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.332 -10.595 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.068 -11.316 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.029 -9.996 2.752 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.650 -9.635 3.392 1.00 0.00 H new ATOM 433 N LYS A 30 -20.964 -9.987 -1.367 1.00 0.00 N ATOM 434 CA LYS A 30 -21.254 -10.368 -2.714 1.00 0.00 C ATOM 435 C LYS A 30 -21.027 -9.278 -3.704 1.00 0.00 C ATOM 436 O LYS A 30 -20.246 -9.422 -4.644 1.00 0.00 O ATOM 437 CB LYS A 30 -22.725 -10.818 -2.751 1.00 0.00 C ATOM 438 CG LYS A 30 -23.060 -11.901 -1.724 1.00 0.00 C ATOM 439 CD LYS A 30 -22.143 -13.124 -1.795 1.00 0.00 C ATOM 440 CE LYS A 30 -22.744 -14.388 -1.177 1.00 0.00 C ATOM 441 NZ LYS A 30 -21.845 -15.560 -1.276 1.00 0.00 N ATOM 0 H LYS A 30 -21.797 -10.020 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.572 -11.169 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.365 -9.953 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.957 -11.191 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.000 -11.471 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.091 -12.222 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -21.899 -13.323 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.207 -12.893 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.974 -14.200 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.687 -14.616 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -22.387 -16.429 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.430 -15.600 -2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -21.085 -15.475 -0.571 1.00 0.00 H new ATOM 455 N GLU A 31 -21.468 -8.061 -3.341 1.00 0.00 N ATOM 456 CA GLU A 31 -21.296 -6.860 -4.098 1.00 0.00 C ATOM 457 C GLU A 31 -19.877 -6.406 -4.096 1.00 0.00 C ATOM 458 O GLU A 31 -19.370 -6.023 -5.150 1.00 0.00 O ATOM 459 CB GLU A 31 -22.250 -5.770 -3.583 1.00 0.00 C ATOM 460 CG GLU A 31 -23.719 -6.101 -3.855 1.00 0.00 C ATOM 461 CD GLU A 31 -24.673 -5.276 -3.002 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.847 -5.489 -1.773 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.228 -4.284 -3.545 1.00 0.00 O ATOM 0 H GLU A 31 -21.974 -7.907 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.550 -7.069 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.103 -5.640 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.001 -4.820 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.937 -5.928 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.890 -7.160 -3.664 1.00 0.00 H new ATOM 470 N LEU A 32 -19.201 -6.371 -2.933 1.00 0.00 N ATOM 471 CA LEU A 32 -17.852 -5.916 -2.795 1.00 0.00 C ATOM 472 C LEU A 32 -16.932 -6.756 -3.612 1.00 0.00 C ATOM 473 O LEU A 32 -16.139 -6.295 -4.431 1.00 0.00 O ATOM 474 CB LEU A 32 -17.239 -6.127 -1.401 1.00 0.00 C ATOM 475 CG LEU A 32 -17.586 -5.027 -0.382 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.485 -5.654 1.019 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.661 -3.815 -0.582 1.00 0.00 C ATOM 0 H LEU A 32 -19.613 -6.673 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.928 -4.863 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.576 -7.087 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.155 -6.186 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.599 -4.648 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.725 -4.903 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.187 -6.484 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.471 -6.020 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.913 -3.041 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.624 -4.121 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.789 -3.422 -1.591 1.00 0.00 H new ATOM 489 N GLY A 33 -17.002 -8.096 -3.520 1.00 0.00 N ATOM 490 CA GLY A 33 -16.423 -9.003 -4.462 1.00 0.00 C ATOM 491 C GLY A 33 -16.528 -8.671 -5.911 1.00 0.00 C ATOM 492 O GLY A 33 -15.526 -8.735 -6.621 1.00 0.00 O ATOM 0 H GLY A 33 -17.484 -8.568 -2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.365 -9.106 -4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.882 -9.980 -4.310 1.00 0.00 H new ATOM 496 N THR A 34 -17.723 -8.392 -6.462 1.00 0.00 N ATOM 497 CA THR A 34 -17.907 -8.136 -7.857 1.00 0.00 C ATOM 498 C THR A 34 -17.219 -6.918 -8.369 1.00 0.00 C ATOM 499 O THR A 34 -16.647 -6.899 -9.458 1.00 0.00 O ATOM 500 CB THR A 34 -19.372 -8.046 -8.166 1.00 0.00 C ATOM 501 OG1 THR A 34 -19.961 -9.268 -7.747 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.627 -8.014 -9.682 1.00 0.00 C ATOM 0 H THR A 34 -18.587 -8.343 -5.921 1.00 0.00 H new ATOM 0 HA THR A 34 -17.442 -8.978 -8.370 1.00 0.00 H new ATOM 0 HB THR A 34 -19.766 -7.151 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.120 -9.240 -6.780 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.699 -7.949 -9.869 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.129 -7.147 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.234 -8.924 -10.136 1.00 0.00 H new ATOM 510 N VAL A 35 -17.214 -5.845 -7.559 1.00 0.00 N ATOM 511 CA VAL A 35 -16.413 -4.676 -7.750 1.00 0.00 C ATOM 512 C VAL A 35 -14.946 -4.929 -7.687 1.00 0.00 C ATOM 513 O VAL A 35 -14.262 -4.688 -8.680 1.00 0.00 O ATOM 514 CB VAL A 35 -16.683 -3.693 -6.649 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.836 -2.434 -6.899 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.186 -3.373 -6.698 1.00 0.00 C ATOM 0 H VAL A 35 -17.800 -5.790 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.680 -4.313 -8.743 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.422 -4.086 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.020 -1.708 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.779 -2.702 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.107 -1.998 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.432 -2.659 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.435 -2.945 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.758 -4.289 -6.548 1.00 0.00 H new ATOM 526 N MET A 36 -14.494 -5.494 -6.554 1.00 0.00 N ATOM 527 CA MET A 36 -13.117 -5.879 -6.537 1.00 0.00 C ATOM 528 C MET A 36 -12.654 -6.720 -7.677 1.00 0.00 C ATOM 529 O MET A 36 -11.582 -6.475 -8.228 1.00 0.00 O ATOM 530 CB MET A 36 -12.760 -6.626 -5.241 1.00 0.00 C ATOM 531 CG MET A 36 -12.752 -5.610 -4.097 1.00 0.00 C ATOM 532 SD MET A 36 -12.346 -6.351 -2.487 1.00 0.00 S ATOM 533 CE MET A 36 -12.628 -4.907 -1.422 1.00 0.00 C ATOM 0 H MET A 36 -15.034 -5.675 -5.708 1.00 0.00 H new ATOM 0 HA MET A 36 -12.602 -4.922 -6.618 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.485 -7.416 -5.044 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.785 -7.104 -5.333 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.030 -4.825 -4.321 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.731 -5.134 -4.035 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.530 -5.201 -0.377 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.893 -4.136 -1.652 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.630 -4.516 -1.597 1.00 0.00 H new ATOM 543 N ARG A 37 -13.424 -7.720 -8.141 1.00 0.00 N ATOM 544 CA ARG A 37 -13.194 -8.498 -9.319 1.00 0.00 C ATOM 545 C ARG A 37 -13.132 -7.661 -10.549 1.00 0.00 C ATOM 546 O ARG A 37 -12.343 -7.859 -11.472 1.00 0.00 O ATOM 547 CB ARG A 37 -14.225 -9.631 -9.452 1.00 0.00 C ATOM 548 CG ARG A 37 -14.018 -10.753 -8.433 1.00 0.00 C ATOM 549 CD ARG A 37 -15.125 -11.810 -8.445 1.00 0.00 C ATOM 550 NE ARG A 37 -14.721 -12.985 -7.622 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.527 -13.825 -6.911 1.00 0.00 C ATOM 552 NH1 ARG A 37 -16.884 -13.712 -6.811 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.044 -14.838 -6.134 1.00 0.00 N ATOM 0 H ARG A 37 -14.273 -8.006 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.212 -8.957 -9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.227 -9.219 -9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.171 -10.047 -10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.062 -11.239 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.954 -10.318 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.049 -11.384 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.326 -12.125 -9.469 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.721 -13.185 -7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.369 -12.954 -7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.412 -14.386 -6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.038 -14.994 -6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.689 -15.439 -5.621 1.00 0.00 H new ATOM 567 N SER A 38 -13.944 -6.603 -10.725 1.00 0.00 N ATOM 568 CA SER A 38 -14.025 -5.814 -11.915 1.00 0.00 C ATOM 569 C SER A 38 -12.774 -5.007 -11.979 1.00 0.00 C ATOM 570 O SER A 38 -12.265 -4.758 -13.071 1.00 0.00 O ATOM 571 CB SER A 38 -15.275 -4.925 -12.027 1.00 0.00 C ATOM 572 OG SER A 38 -16.386 -5.808 -12.050 1.00 0.00 O ATOM 0 H SER A 38 -14.580 -6.281 -9.995 1.00 0.00 H new ATOM 0 HA SER A 38 -14.124 -6.488 -12.766 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.341 -4.238 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.241 -4.318 -12.931 1.00 0.00 H new ATOM 0 HG SER A 38 -16.505 -6.207 -11.163 1.00 0.00 H new ATOM 578 N LEU A 39 -12.100 -4.676 -10.863 1.00 0.00 N ATOM 579 CA LEU A 39 -10.826 -4.025 -10.875 1.00 0.00 C ATOM 580 C LEU A 39 -9.706 -4.989 -11.067 1.00 0.00 C ATOM 581 O LEU A 39 -8.683 -4.571 -11.605 1.00 0.00 O ATOM 582 CB LEU A 39 -10.607 -3.409 -9.483 1.00 0.00 C ATOM 583 CG LEU A 39 -11.394 -2.157 -9.061 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.103 -1.759 -7.604 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.007 -1.025 -10.029 1.00 0.00 C ATOM 0 H LEU A 39 -12.451 -4.867 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.830 -3.299 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.817 -4.186 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.547 -3.169 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.464 -2.359 -9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.679 -0.870 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.383 -2.577 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.040 -1.547 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.547 -0.117 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.934 -0.842 -9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.265 -1.313 -11.048 1.00 0.00 H new ATOM 597 N GLY A 40 -9.817 -6.245 -10.597 1.00 0.00 N ATOM 598 CA GLY A 40 -8.795 -7.241 -10.683 1.00 0.00 C ATOM 599 C GLY A 40 -8.315 -7.717 -9.355 1.00 0.00 C ATOM 600 O GLY A 40 -7.330 -8.447 -9.253 1.00 0.00 O ATOM 0 H GLY A 40 -10.661 -6.582 -10.134 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.174 -8.091 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.951 -6.837 -11.242 1.00 0.00 H new ATOM 604 N GLN A 41 -8.925 -7.353 -8.213 1.00 0.00 N ATOM 605 CA GLN A 41 -8.581 -7.742 -6.880 1.00 0.00 C ATOM 606 C GLN A 41 -9.298 -9.009 -6.562 1.00 0.00 C ATOM 607 O GLN A 41 -10.313 -9.369 -7.157 1.00 0.00 O ATOM 608 CB GLN A 41 -8.908 -6.709 -5.789 1.00 0.00 C ATOM 609 CG GLN A 41 -7.951 -5.522 -5.918 1.00 0.00 C ATOM 610 CD GLN A 41 -6.578 -5.941 -5.413 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.338 -6.282 -4.256 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.589 -5.897 -6.345 1.00 0.00 N ATOM 0 H GLN A 41 -9.732 -6.730 -8.226 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.496 -7.851 -6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.940 -6.372 -5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.814 -7.162 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.888 -5.199 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.322 -4.674 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.802 -5.612 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.635 -6.149 -6.088 1.00 0.00 H new ATOM 621 N ASN A 42 -8.694 -9.804 -5.661 1.00 0.00 N ATOM 622 CA ASN A 42 -9.115 -11.146 -5.405 1.00 0.00 C ATOM 623 C ASN A 42 -9.015 -11.576 -3.982 1.00 0.00 C ATOM 624 O ASN A 42 -8.421 -12.634 -3.782 1.00 0.00 O ATOM 625 CB ASN A 42 -8.349 -12.047 -6.389 1.00 0.00 C ATOM 626 CG ASN A 42 -9.001 -13.419 -6.474 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.171 -13.591 -6.136 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.196 -14.451 -6.846 1.00 0.00 N ATOM 0 H ASN A 42 -7.896 -9.508 -5.098 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.189 -11.227 -5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.331 -11.585 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.313 -12.150 -6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.558 -15.404 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.230 -14.271 -7.120 1.00 0.00 H new ATOM 635 N PRO A 43 -9.515 -10.959 -2.952 1.00 0.00 N ATOM 636 CA PRO A 43 -9.675 -11.665 -1.715 1.00 0.00 C ATOM 637 C PRO A 43 -10.950 -12.435 -1.706 1.00 0.00 C ATOM 638 O PRO A 43 -11.817 -12.161 -2.534 1.00 0.00 O ATOM 639 CB PRO A 43 -9.862 -10.541 -0.698 1.00 0.00 C ATOM 640 CG PRO A 43 -10.592 -9.428 -1.466 1.00 0.00 C ATOM 641 CD PRO A 43 -10.012 -9.594 -2.879 1.00 0.00 C ATOM 0 HA PRO A 43 -8.844 -12.347 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.445 -10.877 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.903 -10.192 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.674 -9.561 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.385 -8.441 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.775 -9.416 -3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.211 -8.877 -3.058 1.00 0.00 H new ATOM 649 N THR A 44 -11.069 -13.454 -0.836 1.00 0.00 N ATOM 650 CA THR A 44 -12.149 -14.351 -0.563 1.00 0.00 C ATOM 651 C THR A 44 -13.151 -13.674 0.308 1.00 0.00 C ATOM 652 O THR A 44 -12.873 -12.694 0.996 1.00 0.00 O ATOM 653 CB THR A 44 -11.786 -15.651 0.091 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.042 -15.461 1.285 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.802 -16.344 -0.867 1.00 0.00 C ATOM 0 H THR A 44 -10.278 -13.678 -0.232 1.00 0.00 H new ATOM 0 HA THR A 44 -12.535 -14.606 -1.550 1.00 0.00 H new ATOM 0 HB THR A 44 -12.703 -16.198 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.111 -15.255 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.498 -17.302 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.286 -16.508 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.924 -15.713 -1.005 1.00 0.00 H new ATOM 663 N GLU A 45 -14.391 -14.197 0.309 1.00 0.00 N ATOM 664 CA GLU A 45 -15.477 -13.688 1.088 1.00 0.00 C ATOM 665 C GLU A 45 -15.253 -13.761 2.560 1.00 0.00 C ATOM 666 O GLU A 45 -15.725 -12.842 3.229 1.00 0.00 O ATOM 667 CB GLU A 45 -16.717 -14.559 0.826 1.00 0.00 C ATOM 668 CG GLU A 45 -17.455 -14.056 -0.416 1.00 0.00 C ATOM 669 CD GLU A 45 -18.707 -14.849 -0.763 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.720 -14.902 -0.016 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.691 -15.392 -1.900 1.00 0.00 O ATOM 0 H GLU A 45 -14.647 -15.007 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.588 -12.644 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.419 -15.598 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.381 -14.531 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.730 -13.012 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.773 -14.085 -1.266 1.00 0.00 H new ATOM 678 N ALA A 46 -14.620 -14.790 3.150 1.00 0.00 N ATOM 679 CA ALA A 46 -14.201 -14.765 4.517 1.00 0.00 C ATOM 680 C ALA A 46 -13.041 -13.877 4.808 1.00 0.00 C ATOM 681 O ALA A 46 -12.963 -13.332 5.908 1.00 0.00 O ATOM 682 CB ALA A 46 -13.733 -16.163 4.955 1.00 0.00 C ATOM 0 H ALA A 46 -14.394 -15.659 2.666 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.080 -14.397 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.417 -16.131 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.554 -16.872 4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.896 -16.479 4.332 1.00 0.00 H new ATOM 688 N GLU A 47 -12.078 -13.577 3.917 1.00 0.00 N ATOM 689 CA GLU A 47 -11.212 -12.450 4.078 1.00 0.00 C ATOM 690 C GLU A 47 -12.064 -11.232 4.175 1.00 0.00 C ATOM 691 O GLU A 47 -11.881 -10.452 5.108 1.00 0.00 O ATOM 692 CB GLU A 47 -10.125 -12.401 2.991 1.00 0.00 C ATOM 693 CG GLU A 47 -9.135 -13.559 3.141 1.00 0.00 C ATOM 694 CD GLU A 47 -8.295 -13.723 1.883 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.901 -14.047 0.827 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.042 -13.590 1.897 1.00 0.00 O ATOM 0 H GLU A 47 -11.898 -14.123 3.075 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.636 -12.525 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.590 -12.443 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.591 -11.453 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.484 -13.378 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.678 -14.482 3.344 1.00 0.00 H new ATOM 703 N LEU A 48 -13.006 -11.071 3.228 1.00 0.00 N ATOM 704 CA LEU A 48 -13.790 -9.885 3.073 1.00 0.00 C ATOM 705 C LEU A 48 -14.644 -9.507 4.234 1.00 0.00 C ATOM 706 O LEU A 48 -14.537 -8.365 4.677 1.00 0.00 O ATOM 707 CB LEU A 48 -14.724 -9.842 1.852 1.00 0.00 C ATOM 708 CG LEU A 48 -14.004 -9.391 0.569 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.623 -9.934 -0.730 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.931 -7.857 0.488 1.00 0.00 C ATOM 0 H LEU A 48 -13.230 -11.794 2.545 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.971 -9.176 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.154 -10.831 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.552 -9.163 2.057 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.004 -9.818 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.055 -9.568 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.598 -11.024 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.656 -9.596 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.417 -7.565 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.940 -7.444 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.384 -7.473 1.349 1.00 0.00 H new ATOM 722 N GLN A 49 -15.314 -10.491 4.861 1.00 0.00 N ATOM 723 CA GLN A 49 -16.188 -10.298 5.975 1.00 0.00 C ATOM 724 C GLN A 49 -15.302 -9.970 7.127 1.00 0.00 C ATOM 725 O GLN A 49 -15.715 -9.218 8.009 1.00 0.00 O ATOM 726 CB GLN A 49 -16.917 -11.608 6.321 1.00 0.00 C ATOM 727 CG GLN A 49 -18.035 -11.368 7.338 1.00 0.00 C ATOM 728 CD GLN A 49 -18.815 -12.664 7.506 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.047 -13.438 6.579 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.462 -12.745 8.699 1.00 0.00 N ATOM 0 H GLN A 49 -15.242 -11.468 4.577 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.926 -9.526 5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.335 -12.045 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.205 -12.328 6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.617 -11.050 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.694 -10.570 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.242 -12.084 9.444 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.167 -13.466 8.849 1.00 0.00 H new ATOM 739 N ASP A 50 -14.055 -10.470 7.190 1.00 0.00 N ATOM 740 CA ASP A 50 -13.144 -10.076 8.220 1.00 0.00 C ATOM 741 C ASP A 50 -12.711 -8.660 8.052 1.00 0.00 C ATOM 742 O ASP A 50 -12.562 -7.975 9.063 1.00 0.00 O ATOM 743 CB ASP A 50 -11.971 -11.065 8.321 1.00 0.00 C ATOM 744 CG ASP A 50 -10.827 -10.628 9.224 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.066 -10.357 10.431 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.681 -10.506 8.714 1.00 0.00 O ATOM 0 H ASP A 50 -13.677 -11.147 6.528 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.664 -10.115 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.353 -12.020 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.576 -11.238 7.320 1.00 0.00 H new ATOM 751 N MET A 51 -12.427 -8.120 6.854 1.00 0.00 N ATOM 752 CA MET A 51 -12.305 -6.698 6.754 1.00 0.00 C ATOM 753 C MET A 51 -13.507 -5.824 6.862 1.00 0.00 C ATOM 754 O MET A 51 -13.353 -4.621 7.072 1.00 0.00 O ATOM 755 CB MET A 51 -11.711 -6.363 5.375 1.00 0.00 C ATOM 756 CG MET A 51 -10.518 -7.172 4.864 1.00 0.00 C ATOM 757 SD MET A 51 -10.240 -6.729 3.123 1.00 0.00 S ATOM 758 CE MET A 51 -9.521 -8.303 2.572 1.00 0.00 C ATOM 0 H MET A 51 -12.287 -8.640 5.988 1.00 0.00 H new ATOM 0 HA MET A 51 -11.711 -6.475 7.640 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.511 -6.457 4.641 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.415 -5.314 5.391 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.630 -6.957 5.458 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.714 -8.240 4.958 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.276 -8.240 1.512 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.615 -8.509 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.240 -9.107 2.731 1.00 0.00 H new ATOM 768 N ILE A 52 -14.706 -6.432 6.824 1.00 0.00 N ATOM 769 CA ILE A 52 -15.914 -5.795 7.247 1.00 0.00 C ATOM 770 C ILE A 52 -15.939 -5.658 8.730 1.00 0.00 C ATOM 771 O ILE A 52 -16.091 -4.521 9.174 1.00 0.00 O ATOM 772 CB ILE A 52 -17.158 -6.492 6.781 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.242 -6.445 5.246 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.451 -5.808 7.255 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.366 -7.341 4.728 1.00 0.00 C ATOM 0 H ILE A 52 -14.839 -7.387 6.492 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.913 -4.811 6.779 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.087 -7.501 7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.411 -5.419 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.292 -6.764 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.313 -6.362 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.474 -5.789 8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.484 -4.788 6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.402 -7.288 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.181 -8.370 5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.318 -7.005 5.139 1.00 0.00 H new ATOM 787 N ASN A 53 -15.729 -6.764 9.467 1.00 0.00 N ATOM 788 CA ASN A 53 -15.792 -6.935 10.885 1.00 0.00 C ATOM 789 C ASN A 53 -15.163 -5.844 11.681 1.00 0.00 C ATOM 790 O ASN A 53 -15.587 -5.483 12.778 1.00 0.00 O ATOM 791 CB ASN A 53 -15.375 -8.351 11.318 1.00 0.00 C ATOM 792 CG ASN A 53 -16.606 -9.242 11.405 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.659 -9.037 10.804 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.516 -10.173 12.392 1.00 0.00 N ATOM 0 H ASN A 53 -15.486 -7.642 9.009 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.848 -6.837 11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.663 -8.766 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.872 -8.313 12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.335 -10.723 12.651 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.629 -10.322 12.874 1.00 0.00 H new ATOM 801 N GLU A 54 -14.042 -5.246 11.241 1.00 0.00 N ATOM 802 CA GLU A 54 -13.324 -4.236 11.955 1.00 0.00 C ATOM 803 C GLU A 54 -13.899 -2.862 11.909 1.00 0.00 C ATOM 804 O GLU A 54 -13.658 -2.100 12.844 1.00 0.00 O ATOM 805 CB GLU A 54 -11.916 -4.198 11.337 1.00 0.00 C ATOM 806 CG GLU A 54 -11.592 -3.415 10.063 1.00 0.00 C ATOM 807 CD GLU A 54 -10.129 -3.593 9.684 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.246 -3.416 10.565 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.923 -3.837 8.465 1.00 0.00 O ATOM 0 H GLU A 54 -13.616 -5.478 10.344 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.355 -4.508 13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.247 -3.822 12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.633 -5.233 11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.229 -3.757 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.808 -2.357 10.214 1.00 0.00 H new ATOM 816 N VAL A 55 -14.577 -2.557 10.789 1.00 0.00 N ATOM 817 CA VAL A 55 -15.032 -1.227 10.525 1.00 0.00 C ATOM 818 C VAL A 55 -16.448 -1.060 10.956 1.00 0.00 C ATOM 819 O VAL A 55 -16.892 0.001 11.392 1.00 0.00 O ATOM 820 CB VAL A 55 -14.852 -0.731 9.121 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.448 -0.137 8.917 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.000 -1.883 8.112 1.00 0.00 C ATOM 0 H VAL A 55 -14.811 -3.234 10.063 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.371 -0.598 11.121 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.616 0.029 8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.347 0.214 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.303 0.698 9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.697 -0.902 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.866 -1.500 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.246 -2.644 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.993 -2.322 8.205 1.00 0.00 H new ATOM 832 N ASP A 56 -17.270 -2.110 10.777 1.00 0.00 N ATOM 833 CA ASP A 56 -18.615 -2.289 11.229 1.00 0.00 C ATOM 834 C ASP A 56 -18.737 -2.349 12.712 1.00 0.00 C ATOM 835 O ASP A 56 -18.469 -3.363 13.356 1.00 0.00 O ATOM 836 CB ASP A 56 -19.135 -3.564 10.542 1.00 0.00 C ATOM 837 CG ASP A 56 -20.655 -3.487 10.557 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.280 -3.964 11.542 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.241 -3.052 9.529 1.00 0.00 O ATOM 0 H ASP A 56 -16.951 -2.926 10.254 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.220 -1.424 10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.762 -3.631 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.788 -4.454 11.067 1.00 0.00 H new ATOM 844 N ALA A 57 -19.162 -1.233 13.330 1.00 0.00 N ATOM 845 CA ALA A 57 -19.400 -1.120 14.735 1.00 0.00 C ATOM 846 C ALA A 57 -20.878 -1.046 14.903 1.00 0.00 C ATOM 847 O ALA A 57 -21.410 -1.429 15.945 1.00 0.00 O ATOM 848 CB ALA A 57 -18.784 0.187 15.260 1.00 0.00 C ATOM 0 H ALA A 57 -19.349 -0.367 12.825 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.965 -1.960 15.276 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.967 0.271 16.331 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.710 0.183 15.074 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.238 1.035 14.747 1.00 0.00 H new ATOM 854 N ASP A 58 -21.652 -0.574 13.910 1.00 0.00 N ATOM 855 CA ASP A 58 -23.058 -0.309 13.900 1.00 0.00 C ATOM 856 C ASP A 58 -23.955 -1.498 13.942 1.00 0.00 C ATOM 857 O ASP A 58 -25.033 -1.478 14.534 1.00 0.00 O ATOM 858 CB ASP A 58 -23.305 0.704 12.769 1.00 0.00 C ATOM 859 CG ASP A 58 -22.881 0.229 11.386 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.794 -0.374 11.180 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.758 0.345 10.490 1.00 0.00 O ATOM 0 H ASP A 58 -21.238 -0.352 13.005 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.357 0.132 14.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.367 0.949 12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.771 1.625 13.002 1.00 0.00 H new ATOM 866 N GLY A 59 -23.460 -2.584 13.323 1.00 0.00 N ATOM 867 CA GLY A 59 -23.912 -3.937 13.435 1.00 0.00 C ATOM 868 C GLY A 59 -24.719 -4.431 12.284 1.00 0.00 C ATOM 869 O GLY A 59 -25.419 -5.434 12.418 1.00 0.00 O ATOM 0 H GLY A 59 -22.669 -2.506 12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -23.044 -4.585 13.555 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.507 -4.031 14.343 1.00 0.00 H new ATOM 873 N ASN A 60 -24.752 -3.703 11.153 1.00 0.00 N ATOM 874 CA ASN A 60 -25.436 -4.230 10.014 1.00 0.00 C ATOM 875 C ASN A 60 -24.681 -5.258 9.243 1.00 0.00 C ATOM 876 O ASN A 60 -25.142 -6.189 8.585 1.00 0.00 O ATOM 877 CB ASN A 60 -26.124 -3.124 9.196 1.00 0.00 C ATOM 878 CG ASN A 60 -25.025 -2.255 8.602 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.872 -2.135 9.014 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.440 -1.349 7.676 1.00 0.00 N ATOM 0 H ASN A 60 -24.324 -2.786 11.028 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.256 -4.837 10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.741 -3.556 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.784 -2.531 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.804 -0.617 7.358 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.387 -1.401 7.300 1.00 0.00 H new ATOM 887 N GLY A 61 -23.349 -5.074 9.226 1.00 0.00 N ATOM 888 CA GLY A 61 -22.480 -6.090 8.718 1.00 0.00 C ATOM 889 C GLY A 61 -22.378 -5.925 7.241 1.00 0.00 C ATOM 890 O GLY A 61 -21.777 -6.683 6.482 1.00 0.00 O ATOM 0 H GLY A 61 -22.878 -4.233 9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.495 -6.011 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.868 -7.079 8.963 1.00 0.00 H new ATOM 894 N THR A 62 -22.885 -4.848 6.614 1.00 0.00 N ATOM 895 CA THR A 62 -22.559 -4.332 5.321 1.00 0.00 C ATOM 896 C THR A 62 -21.850 -3.025 5.422 1.00 0.00 C ATOM 897 O THR A 62 -21.863 -2.360 6.456 1.00 0.00 O ATOM 898 CB THR A 62 -23.823 -4.181 4.528 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.772 -3.330 5.154 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.500 -5.549 4.334 1.00 0.00 C ATOM 0 H THR A 62 -23.601 -4.279 7.066 1.00 0.00 H new ATOM 0 HA THR A 62 -21.887 -5.029 4.820 1.00 0.00 H new ATOM 0 HB THR A 62 -23.524 -3.741 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.351 -2.929 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.416 -5.423 3.757 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.824 -6.217 3.801 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.740 -5.977 5.307 1.00 0.00 H new ATOM 908 N ILE A 63 -21.161 -2.712 4.310 1.00 0.00 N ATOM 909 CA ILE A 63 -20.420 -1.494 4.206 1.00 0.00 C ATOM 910 C ILE A 63 -21.213 -0.330 3.720 1.00 0.00 C ATOM 911 O ILE A 63 -21.631 -0.352 2.564 1.00 0.00 O ATOM 912 CB ILE A 63 -19.139 -1.687 3.449 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.310 -2.803 4.107 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.304 -0.404 3.295 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.871 -2.598 5.556 1.00 0.00 C ATOM 0 H ILE A 63 -21.117 -3.304 3.481 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.154 -1.225 5.228 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.417 -1.976 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.890 -3.725 4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -17.415 -2.957 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.395 -0.627 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.885 0.346 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.040 -0.021 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.296 -3.462 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.253 -1.703 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -18.750 -2.482 6.190 1.00 0.00 H new ATOM 927 N ASP A 64 -21.653 0.587 4.600 1.00 0.00 N ATOM 928 CA ASP A 64 -22.395 1.765 4.271 1.00 0.00 C ATOM 929 C ASP A 64 -21.473 2.923 4.096 1.00 0.00 C ATOM 930 O ASP A 64 -20.305 2.720 4.423 1.00 0.00 O ATOM 931 CB ASP A 64 -23.432 2.093 5.358 1.00 0.00 C ATOM 932 CG ASP A 64 -22.809 2.014 6.745 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.627 0.863 7.223 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.714 3.086 7.400 1.00 0.00 O ATOM 0 H ASP A 64 -21.480 0.500 5.601 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.923 1.575 3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.835 3.092 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.268 1.397 5.290 1.00 0.00 H new ATOM 939 N PHE A 65 -21.898 4.038 3.476 1.00 0.00 N ATOM 940 CA PHE A 65 -21.037 5.041 2.931 1.00 0.00 C ATOM 941 C PHE A 65 -20.042 5.628 3.872 1.00 0.00 C ATOM 942 O PHE A 65 -18.896 5.715 3.434 1.00 0.00 O ATOM 943 CB PHE A 65 -21.808 6.205 2.287 1.00 0.00 C ATOM 944 CG PHE A 65 -20.925 7.111 1.500 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.436 6.661 0.297 1.00 0.00 C ATOM 946 CD2 PHE A 65 -20.592 8.369 1.945 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.503 7.408 -0.382 1.00 0.00 C ATOM 948 CE2 PHE A 65 -19.783 9.171 1.175 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.324 8.728 -0.043 1.00 0.00 C ATOM 0 H PHE A 65 -22.888 4.250 3.349 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.486 4.473 2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.585 5.805 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.309 6.779 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.783 5.724 -0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -20.964 8.725 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.917 6.963 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -19.507 10.153 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.830 9.407 -0.723 1.00 0.00 H new ATOM 959 N PRO A 66 -20.198 6.176 5.041 1.00 0.00 N ATOM 960 CA PRO A 66 -19.114 6.766 5.772 1.00 0.00 C ATOM 961 C PRO A 66 -18.043 5.782 6.097 1.00 0.00 C ATOM 962 O PRO A 66 -16.880 6.168 6.206 1.00 0.00 O ATOM 963 CB PRO A 66 -19.748 7.361 7.027 1.00 0.00 C ATOM 964 CG PRO A 66 -21.017 6.511 7.192 1.00 0.00 C ATOM 965 CD PRO A 66 -21.467 6.233 5.749 1.00 0.00 C ATOM 0 HA PRO A 66 -18.608 7.528 5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.090 7.280 7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.981 8.418 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.811 5.586 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.784 7.044 7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.022 5.298 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.114 7.022 5.364 1.00 0.00 H new ATOM 973 N GLU A 67 -18.422 4.545 6.463 1.00 0.00 N ATOM 974 CA GLU A 67 -17.633 3.358 6.590 1.00 0.00 C ATOM 975 C GLU A 67 -16.860 2.957 5.381 1.00 0.00 C ATOM 976 O GLU A 67 -15.705 2.576 5.563 1.00 0.00 O ATOM 977 CB GLU A 67 -18.580 2.209 6.974 1.00 0.00 C ATOM 978 CG GLU A 67 -18.024 1.132 7.909 1.00 0.00 C ATOM 979 CD GLU A 67 -19.152 0.258 8.437 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.963 0.778 9.249 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.457 -0.871 7.969 1.00 0.00 O ATOM 0 H GLU A 67 -19.397 4.358 6.697 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.879 3.575 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.464 2.641 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.912 1.723 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.298 0.518 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.497 1.600 8.741 1.00 0.00 H new ATOM 988 N PHE A 68 -17.444 2.979 4.169 1.00 0.00 N ATOM 989 CA PHE A 68 -16.845 2.902 2.873 1.00 0.00 C ATOM 990 C PHE A 68 -15.773 3.929 2.744 1.00 0.00 C ATOM 991 O PHE A 68 -14.673 3.687 2.249 1.00 0.00 O ATOM 992 CB PHE A 68 -17.856 3.044 1.723 1.00 0.00 C ATOM 993 CG PHE A 68 -17.324 2.786 0.355 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.899 1.520 0.029 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.130 3.809 -0.543 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.437 1.262 -1.240 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.686 3.589 -1.826 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.220 2.322 -2.087 1.00 0.00 C ATOM 0 H PHE A 68 -18.458 3.061 4.094 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.418 1.903 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.684 2.359 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.267 4.053 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.928 0.731 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.334 4.822 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.249 0.249 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.702 4.362 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.660 2.153 -2.995 1.00 0.00 H new ATOM 1008 N LEU A 69 -15.988 5.186 3.173 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.034 6.224 2.935 1.00 0.00 C ATOM 1010 C LEU A 69 -13.861 6.164 3.851 1.00 0.00 C ATOM 1011 O LEU A 69 -12.730 6.359 3.408 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.740 7.591 2.920 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.079 8.783 2.207 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -14.210 9.617 3.163 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.261 8.491 0.938 1.00 0.00 C ATOM 0 H LEU A 69 -16.820 5.483 3.683 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.601 6.068 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.722 7.445 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.906 7.883 3.957 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.954 9.337 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.763 10.448 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.829 10.005 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.421 8.990 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.855 9.423 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.443 7.813 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.904 8.030 0.189 1.00 0.00 H new ATOM 1027 N THR A 70 -14.082 5.752 5.112 1.00 0.00 N ATOM 1028 CA THR A 70 -13.050 5.281 5.983 1.00 0.00 C ATOM 1029 C THR A 70 -12.255 4.171 5.387 1.00 0.00 C ATOM 1030 O THR A 70 -11.025 4.171 5.415 1.00 0.00 O ATOM 1031 CB THR A 70 -13.415 4.906 7.388 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.939 6.010 8.111 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.344 4.250 8.276 1.00 0.00 C ATOM 0 H THR A 70 -15.008 5.746 5.539 1.00 0.00 H new ATOM 0 HA THR A 70 -12.460 6.192 6.081 1.00 0.00 H new ATOM 0 HB THR A 70 -14.154 4.128 7.195 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.167 5.727 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.765 4.041 9.259 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.012 3.318 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.495 4.925 8.381 1.00 0.00 H new ATOM 1041 N MET A 71 -12.932 3.168 4.800 1.00 0.00 N ATOM 1042 CA MET A 71 -12.301 2.102 4.085 1.00 0.00 C ATOM 1043 C MET A 71 -11.416 2.547 2.972 1.00 0.00 C ATOM 1044 O MET A 71 -10.256 2.141 2.910 1.00 0.00 O ATOM 1045 CB MET A 71 -13.309 1.022 3.656 1.00 0.00 C ATOM 1046 CG MET A 71 -12.587 -0.150 2.988 1.00 0.00 C ATOM 1047 SD MET A 71 -13.608 -1.431 2.200 1.00 0.00 S ATOM 1048 CE MET A 71 -13.734 -2.378 3.744 1.00 0.00 C ATOM 0 H MET A 71 -13.949 3.096 4.823 1.00 0.00 H new ATOM 0 HA MET A 71 -11.620 1.638 4.798 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.863 0.668 4.525 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.037 1.449 2.966 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.916 0.257 2.232 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.964 -0.633 3.741 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.420 -3.214 3.603 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.750 -2.758 4.019 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.108 -1.731 4.538 1.00 0.00 H new ATOM 1058 N MET A 72 -11.872 3.415 2.052 1.00 0.00 N ATOM 1059 CA MET A 72 -11.220 3.913 0.880 1.00 0.00 C ATOM 1060 C MET A 72 -10.119 4.835 1.278 1.00 0.00 C ATOM 1061 O MET A 72 -9.033 4.754 0.706 1.00 0.00 O ATOM 1062 CB MET A 72 -12.122 4.563 -0.183 1.00 0.00 C ATOM 1063 CG MET A 72 -13.210 3.657 -0.762 1.00 0.00 C ATOM 1064 SD MET A 72 -12.749 2.259 -1.829 1.00 0.00 S ATOM 1065 CE MET A 72 -11.667 3.123 -3.004 1.00 0.00 C ATOM 0 H MET A 72 -12.807 3.812 2.143 1.00 0.00 H new ATOM 0 HA MET A 72 -10.833 3.028 0.375 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.598 5.440 0.256 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.494 4.917 -1.001 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.777 3.253 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.891 4.290 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.821 2.720 -4.005 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.903 4.187 -3.001 1.00 0.00 H new ATOM 0 HE3 MET A 72 -10.626 2.982 -2.712 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.265 5.713 2.286 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.161 6.443 2.826 1.00 0.00 C ATOM 1077 C ALA A 73 -8.095 5.642 3.490 1.00 0.00 C ATOM 1078 O ALA A 73 -6.947 6.081 3.442 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.618 7.615 3.712 1.00 0.00 C ATOM 0 H ALA A 73 -11.159 5.919 2.731 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.672 6.839 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.745 8.140 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.223 8.303 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.211 7.233 4.543 1.00 0.00 H new ATOM 1234 N GLU A 83 3.708 -3.380 -6.904 1.00 0.00 N ATOM 1235 CA GLU A 83 2.983 -3.081 -8.100 1.00 0.00 C ATOM 1236 C GLU A 83 2.379 -1.735 -8.306 1.00 0.00 C ATOM 1237 O GLU A 83 2.724 -0.913 -9.153 1.00 0.00 O ATOM 1238 CB GLU A 83 1.978 -4.156 -8.545 1.00 0.00 C ATOM 1239 CG GLU A 83 1.131 -4.012 -9.811 1.00 0.00 C ATOM 1240 CD GLU A 83 1.778 -4.706 -11.001 1.00 0.00 C ATOM 1241 OE1 GLU A 83 2.995 -5.026 -10.936 1.00 0.00 O ATOM 1242 OE2 GLU A 83 1.152 -4.848 -12.086 1.00 0.00 O ATOM 0 HA GLU A 83 3.859 -3.074 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.539 -5.085 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.282 -4.295 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.141 -4.434 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.991 -2.955 -10.038 1.00 0.00 H new ATOM 1249 N GLU A 84 1.556 -1.279 -7.344 1.00 0.00 N ATOM 1250 CA GLU A 84 0.931 0.005 -7.282 1.00 0.00 C ATOM 1251 C GLU A 84 1.867 1.144 -7.058 1.00 0.00 C ATOM 1252 O GLU A 84 1.784 2.253 -7.583 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.263 -0.081 -6.317 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.314 -1.163 -6.568 1.00 0.00 C ATOM 1255 CD GLU A 84 -2.091 -0.970 -7.862 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -2.851 0.035 -7.842 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -2.106 -1.813 -8.798 1.00 0.00 O ATOM 0 H GLU A 84 1.309 -1.860 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 84 0.544 0.261 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.131 -0.225 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.769 0.884 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.823 -2.136 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.014 -1.178 -5.733 1.00 0.00 H new ATOM 1264 N ILE A 85 2.879 0.960 -6.193 1.00 0.00 N ATOM 1265 CA ILE A 85 3.960 1.867 -5.958 1.00 0.00 C ATOM 1266 C ILE A 85 4.810 2.187 -7.139 1.00 0.00 C ATOM 1267 O ILE A 85 5.085 3.299 -7.585 1.00 0.00 O ATOM 1268 CB ILE A 85 4.739 1.774 -4.680 1.00 0.00 C ATOM 1269 CG1 ILE A 85 5.993 0.885 -4.620 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.705 1.571 -3.560 1.00 0.00 C ATOM 1271 CD1 ILE A 85 6.476 0.429 -3.244 1.00 0.00 C ATOM 0 H ILE A 85 2.946 0.120 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 85 3.348 2.748 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 85 5.283 2.710 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.802 -0.005 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.810 1.424 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.217 1.496 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.019 2.418 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.144 0.655 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.367 -0.189 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.715 1.301 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.692 -0.150 -2.757 1.00 0.00 H new ATOM 1283 N ARG A 86 5.142 1.120 -7.887 1.00 0.00 N ATOM 1284 CA ARG A 86 5.938 1.159 -9.074 1.00 0.00 C ATOM 1285 C ARG A 86 5.422 1.900 -10.260 1.00 0.00 C ATOM 1286 O ARG A 86 6.035 2.781 -10.861 1.00 0.00 O ATOM 1287 CB ARG A 86 6.233 -0.289 -9.498 1.00 0.00 C ATOM 1288 CG ARG A 86 7.366 -0.905 -8.675 1.00 0.00 C ATOM 1289 CD ARG A 86 7.933 -2.277 -9.045 1.00 0.00 C ATOM 1290 NE ARG A 86 9.162 -2.625 -8.279 1.00 0.00 N ATOM 1291 CZ ARG A 86 10.446 -2.586 -8.741 1.00 0.00 C ATOM 1292 NH1 ARG A 86 10.885 -2.102 -9.939 1.00 0.00 N ATOM 1293 NH2 ARG A 86 11.386 -3.158 -7.932 1.00 0.00 N ATOM 0 H ARG A 86 4.837 0.176 -7.649 1.00 0.00 H new ATOM 0 HA ARG A 86 6.812 1.739 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.332 -0.892 -9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.499 -0.311 -10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.196 -0.199 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.018 -0.967 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.173 -3.038 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.159 -2.295 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 86 9.031 -2.922 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.219 -1.712 -10.606 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.879 -2.130 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.108 -3.578 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.366 -3.165 -8.215 1.00 0.00 H new ATOM 1307 N GLU A 87 4.175 1.630 -10.685 1.00 0.00 N ATOM 1308 CA GLU A 87 3.548 2.374 -11.733 1.00 0.00 C ATOM 1309 C GLU A 87 3.180 3.738 -11.261 1.00 0.00 C ATOM 1310 O GLU A 87 2.981 4.623 -12.093 1.00 0.00 O ATOM 1311 CB GLU A 87 2.385 1.664 -12.446 1.00 0.00 C ATOM 1312 CG GLU A 87 1.056 1.774 -11.697 1.00 0.00 C ATOM 1313 CD GLU A 87 -0.222 1.316 -12.385 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -0.135 0.842 -13.549 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -1.312 1.389 -11.757 1.00 0.00 O ATOM 0 H GLU A 87 3.595 0.886 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 87 4.302 2.462 -12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.268 2.087 -13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.636 0.611 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.153 1.206 -10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.922 2.819 -11.417 1.00 0.00 H new ATOM 1322 N ALA A 88 3.087 4.051 -9.957 1.00 0.00 N ATOM 1323 CA ALA A 88 2.844 5.375 -9.474 1.00 0.00 C ATOM 1324 C ALA A 88 4.077 6.209 -9.541 1.00 0.00 C ATOM 1325 O ALA A 88 3.971 7.354 -9.976 1.00 0.00 O ATOM 1326 CB ALA A 88 2.294 5.396 -8.038 1.00 0.00 C ATOM 0 H ALA A 88 3.184 3.360 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 88 2.082 5.795 -10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.129 6.427 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.351 4.851 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.012 4.924 -7.367 1.00 0.00 H new ATOM 1332 N PHE A 89 5.276 5.643 -9.316 1.00 0.00 N ATOM 1333 CA PHE A 89 6.514 6.169 -9.800 1.00 0.00 C ATOM 1334 C PHE A 89 6.649 6.354 -11.273 1.00 0.00 C ATOM 1335 O PHE A 89 6.930 7.451 -11.752 1.00 0.00 O ATOM 1336 CB PHE A 89 7.721 5.486 -9.136 1.00 0.00 C ATOM 1337 CG PHE A 89 8.873 6.431 -9.162 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.689 6.697 -10.236 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.172 7.025 -7.959 1.00 0.00 C ATOM 1340 CE1 PHE A 89 10.677 7.648 -10.144 1.00 0.00 C ATOM 1341 CE2 PHE A 89 10.280 7.833 -7.854 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.979 8.268 -8.955 1.00 0.00 C ATOM 0 H PHE A 89 5.387 4.785 -8.776 1.00 0.00 H new ATOM 0 HA PHE A 89 6.500 7.208 -9.471 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.482 5.209 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.974 4.566 -9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.553 6.154 -11.160 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.539 6.858 -7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.232 7.916 -11.031 1.00 0.00 H new ATOM 0 HE2 PHE A 89 10.613 8.136 -6.872 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.721 9.050 -8.890 1.00 0.00 H new ATOM 1352 N ARG A 90 6.313 5.389 -12.147 1.00 0.00 N ATOM 1353 CA ARG A 90 6.290 5.629 -13.557 1.00 0.00 C ATOM 1354 C ARG A 90 5.297 6.598 -14.100 1.00 0.00 C ATOM 1355 O ARG A 90 5.656 7.337 -15.015 1.00 0.00 O ATOM 1356 CB ARG A 90 6.240 4.276 -14.287 1.00 0.00 C ATOM 1357 CG ARG A 90 6.143 4.129 -15.807 1.00 0.00 C ATOM 1358 CD ARG A 90 7.527 4.248 -16.448 1.00 0.00 C ATOM 1359 NE ARG A 90 7.746 5.700 -16.700 1.00 0.00 N ATOM 1360 CZ ARG A 90 8.260 6.248 -17.839 1.00 0.00 C ATOM 1361 NH1 ARG A 90 9.035 5.516 -18.692 1.00 0.00 N ATOM 1362 NH2 ARG A 90 8.343 7.605 -17.961 1.00 0.00 N ATOM 0 H ARG A 90 6.056 4.440 -11.877 1.00 0.00 H new ATOM 0 HA ARG A 90 7.216 6.168 -13.756 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.136 3.733 -13.985 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.387 3.738 -13.874 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.702 3.164 -16.057 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.482 4.896 -16.211 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.297 3.847 -15.789 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.576 3.680 -17.377 1.00 0.00 H new ATOM 0 HE ARG A 90 7.488 6.344 -15.952 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.240 4.539 -18.483 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.409 5.946 -19.538 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.021 8.206 -17.202 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.727 8.018 -18.811 1.00 0.00 H new ATOM 1376 N VAL A 91 4.079 6.612 -13.529 1.00 0.00 N ATOM 1377 CA VAL A 91 3.071 7.593 -13.788 1.00 0.00 C ATOM 1378 C VAL A 91 3.492 8.999 -13.528 1.00 0.00 C ATOM 1379 O VAL A 91 3.222 9.866 -14.357 1.00 0.00 O ATOM 1380 CB VAL A 91 1.761 7.306 -13.117 1.00 0.00 C ATOM 1381 CG1 VAL A 91 0.887 8.508 -12.723 1.00 0.00 C ATOM 1382 CG2 VAL A 91 0.872 6.378 -13.961 1.00 0.00 C ATOM 0 H VAL A 91 3.783 5.906 -12.855 1.00 0.00 H new ATOM 0 HA VAL A 91 2.919 7.505 -14.864 1.00 0.00 H new ATOM 0 HB VAL A 91 2.103 6.844 -12.191 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.028 8.153 -12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.434 9.143 -12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.634 9.082 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.066 6.197 -13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.666 6.848 -14.923 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.386 5.430 -14.123 1.00 0.00 H new ATOM 1392 N PHE A 92 4.192 9.259 -12.409 1.00 0.00 N ATOM 1393 CA PHE A 92 4.806 10.518 -12.124 1.00 0.00 C ATOM 1394 C PHE A 92 5.930 10.890 -13.029 1.00 0.00 C ATOM 1395 O PHE A 92 5.913 11.994 -13.572 1.00 0.00 O ATOM 1396 CB PHE A 92 5.182 10.748 -10.651 1.00 0.00 C ATOM 1397 CG PHE A 92 4.044 10.793 -9.690 1.00 0.00 C ATOM 1398 CD1 PHE A 92 2.812 11.328 -9.984 1.00 0.00 C ATOM 1399 CD2 PHE A 92 4.125 10.068 -8.524 1.00 0.00 C ATOM 1400 CE1 PHE A 92 1.714 11.105 -9.187 1.00 0.00 C ATOM 1401 CE2 PHE A 92 3.052 9.866 -7.688 1.00 0.00 C ATOM 1402 CZ PHE A 92 1.806 10.287 -8.086 1.00 0.00 C ATOM 0 H PHE A 92 4.336 8.565 -11.675 1.00 0.00 H new ATOM 0 HA PHE A 92 3.990 11.208 -12.341 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.863 9.955 -10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.732 11.687 -10.578 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.704 11.941 -10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.077 9.637 -8.252 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.772 11.576 -9.428 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.187 9.383 -6.731 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.921 9.983 -7.547 1.00 0.00 H new ATOM 1412 N ASP A 93 6.904 9.975 -13.184 1.00 0.00 N ATOM 1413 CA ASP A 93 8.072 10.289 -13.946 1.00 0.00 C ATOM 1414 C ASP A 93 7.708 10.308 -15.391 1.00 0.00 C ATOM 1415 O ASP A 93 7.502 9.258 -15.998 1.00 0.00 O ATOM 1416 CB ASP A 93 9.215 9.285 -13.722 1.00 0.00 C ATOM 1417 CG ASP A 93 10.585 9.644 -14.279 1.00 0.00 C ATOM 1418 OD1 ASP A 93 10.615 10.670 -15.011 1.00 0.00 O ATOM 1419 OD2 ASP A 93 11.612 8.951 -14.053 1.00 0.00 O ATOM 0 H ASP A 93 6.885 9.035 -12.790 1.00 0.00 H new ATOM 0 HA ASP A 93 8.432 11.263 -13.616 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.319 9.128 -12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.915 8.331 -14.156 1.00 0.00 H new ATOM 1424 N LYS A 94 7.528 11.482 -16.022 1.00 0.00 N ATOM 1425 CA LYS A 94 7.236 11.631 -17.413 1.00 0.00 C ATOM 1426 C LYS A 94 8.314 11.314 -18.391 1.00 0.00 C ATOM 1427 O LYS A 94 8.079 10.608 -19.371 1.00 0.00 O ATOM 1428 CB LYS A 94 6.762 13.080 -17.615 1.00 0.00 C ATOM 1429 CG LYS A 94 6.240 13.407 -19.016 1.00 0.00 C ATOM 1430 CD LYS A 94 5.607 14.798 -19.091 1.00 0.00 C ATOM 1431 CE LYS A 94 4.998 15.040 -20.473 1.00 0.00 C ATOM 1432 NZ LYS A 94 3.606 14.537 -20.472 1.00 0.00 N ATOM 0 H LYS A 94 7.590 12.376 -15.534 1.00 0.00 H new ATOM 0 HA LYS A 94 6.485 10.874 -17.638 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.973 13.291 -16.893 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.590 13.751 -17.388 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.061 13.345 -19.731 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.504 12.659 -19.311 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.836 14.894 -18.326 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.360 15.558 -18.882 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.016 16.103 -20.713 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.583 14.531 -21.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.185 14.680 -21.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.604 13.523 -20.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.050 15.055 -19.761 1.00 0.00 H new ATOM 1446 N ASP A 95 9.471 11.974 -18.204 1.00 0.00 N ATOM 1447 CA ASP A 95 10.600 11.952 -19.082 1.00 0.00 C ATOM 1448 C ASP A 95 11.478 10.750 -19.013 1.00 0.00 C ATOM 1449 O ASP A 95 12.205 10.383 -19.935 1.00 0.00 O ATOM 1450 CB ASP A 95 11.390 13.247 -18.828 1.00 0.00 C ATOM 1451 CG ASP A 95 11.686 13.396 -17.343 1.00 0.00 C ATOM 1452 OD1 ASP A 95 12.641 12.757 -16.826 1.00 0.00 O ATOM 1453 OD2 ASP A 95 10.882 14.112 -16.688 1.00 0.00 O ATOM 0 H ASP A 95 9.627 12.562 -17.385 1.00 0.00 H new ATOM 0 HA ASP A 95 10.214 11.890 -20.099 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.322 13.230 -19.393 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.819 14.106 -19.181 1.00 0.00 H new ATOM 1458 N GLY A 96 11.178 10.049 -17.905 1.00 0.00 N ATOM 1459 CA GLY A 96 11.492 8.675 -17.664 1.00 0.00 C ATOM 1460 C GLY A 96 12.867 8.392 -17.165 1.00 0.00 C ATOM 1461 O GLY A 96 13.586 7.537 -17.680 1.00 0.00 O ATOM 0 H GLY A 96 10.680 10.474 -17.123 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.777 8.282 -16.941 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.344 8.122 -18.591 1.00 0.00 H new ATOM 1465 N ASN A 97 13.445 9.207 -16.265 1.00 0.00 N ATOM 1466 CA ASN A 97 14.835 9.156 -15.935 1.00 0.00 C ATOM 1467 C ASN A 97 15.078 8.461 -14.639 1.00 0.00 C ATOM 1468 O ASN A 97 16.157 7.913 -14.422 1.00 0.00 O ATOM 1469 CB ASN A 97 15.461 10.560 -15.976 1.00 0.00 C ATOM 1470 CG ASN A 97 15.035 11.572 -14.923 1.00 0.00 C ATOM 1471 OD1 ASN A 97 13.967 11.416 -14.333 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.859 12.652 -14.869 1.00 0.00 N ATOM 0 H ASN A 97 12.930 9.923 -15.752 1.00 0.00 H new ATOM 0 HA ASN A 97 15.335 8.556 -16.696 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.543 10.444 -15.907 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.249 10.990 -16.955 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.612 13.453 -14.288 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.724 12.661 -15.409 1.00 0.00 H new ATOM 1479 N GLY A 98 14.100 8.412 -13.717 1.00 0.00 N ATOM 1480 CA GLY A 98 14.100 7.836 -12.408 1.00 0.00 C ATOM 1481 C GLY A 98 14.078 8.897 -11.362 1.00 0.00 C ATOM 1482 O GLY A 98 14.331 8.700 -10.175 1.00 0.00 O ATOM 0 H GLY A 98 13.193 8.832 -13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.232 7.187 -12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.985 7.212 -12.281 1.00 0.00 H new ATOM 1486 N TYR A 99 13.610 10.114 -11.695 1.00 0.00 N ATOM 1487 CA TYR A 99 13.477 11.170 -10.741 1.00 0.00 C ATOM 1488 C TYR A 99 12.170 11.827 -11.023 1.00 0.00 C ATOM 1489 O TYR A 99 11.730 11.953 -12.165 1.00 0.00 O ATOM 1490 CB TYR A 99 14.523 12.269 -10.992 1.00 0.00 C ATOM 1491 CG TYR A 99 15.874 11.860 -10.515 1.00 0.00 C ATOM 1492 CD1 TYR A 99 16.133 11.540 -9.203 1.00 0.00 C ATOM 1493 CD2 TYR A 99 16.826 11.737 -11.500 1.00 0.00 C ATOM 1494 CE1 TYR A 99 17.355 10.993 -8.893 1.00 0.00 C ATOM 1495 CE2 TYR A 99 18.116 11.372 -11.194 1.00 0.00 C ATOM 1496 CZ TYR A 99 18.247 10.848 -9.929 1.00 0.00 C ATOM 1497 OH TYR A 99 19.500 10.364 -9.496 1.00 0.00 O ATOM 0 H TYR A 99 13.320 10.368 -12.639 1.00 0.00 H new ATOM 0 HA TYR A 99 13.580 10.759 -9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 99 14.566 12.495 -12.057 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.219 13.184 -10.484 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.394 11.714 -8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 99 16.557 11.930 -12.528 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.602 10.692 -7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.944 11.485 -11.879 1.00 0.00 H new ATOM 0 HH TYR A 99 20.100 10.276 -10.266 1.00 0.00 H new ATOM 1507 N ILE A 100 11.511 12.342 -9.970 1.00 0.00 N ATOM 1508 CA ILE A 100 10.393 13.202 -10.204 1.00 0.00 C ATOM 1509 C ILE A 100 10.775 14.549 -9.693 1.00 0.00 C ATOM 1510 O ILE A 100 11.339 14.582 -8.601 1.00 0.00 O ATOM 1511 CB ILE A 100 9.288 12.708 -9.318 1.00 0.00 C ATOM 1512 CG1 ILE A 100 8.799 11.312 -9.739 1.00 0.00 C ATOM 1513 CG2 ILE A 100 8.050 13.590 -9.087 1.00 0.00 C ATOM 1514 CD1 ILE A 100 8.217 10.583 -8.529 1.00 0.00 C ATOM 0 H ILE A 100 11.740 12.172 -8.991 1.00 0.00 H new ATOM 0 HA ILE A 100 10.104 13.228 -11.255 1.00 0.00 H new ATOM 0 HB ILE A 100 9.807 12.714 -8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.044 11.401 -10.520 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.625 10.738 -10.159 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.356 13.076 -8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.355 14.533 -8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.560 13.787 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.872 9.594 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.985 10.480 -7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.379 11.154 -8.129 1.00 0.00 H new ATOM 1526 N SER A 101 10.454 15.647 -10.401 1.00 0.00 N ATOM 1527 CA SER A 101 10.432 16.971 -9.861 1.00 0.00 C ATOM 1528 C SER A 101 9.025 17.273 -9.476 1.00 0.00 C ATOM 1529 O SER A 101 8.097 16.563 -9.860 1.00 0.00 O ATOM 1530 CB SER A 101 11.190 17.918 -10.807 1.00 0.00 C ATOM 1531 OG SER A 101 10.542 17.842 -12.068 1.00 0.00 O ATOM 0 H SER A 101 10.200 15.611 -11.388 1.00 0.00 H new ATOM 0 HA SER A 101 10.985 17.107 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.175 18.939 -10.426 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.236 17.624 -10.892 1.00 0.00 H new ATOM 0 HG SER A 101 10.994 18.435 -12.704 1.00 0.00 H new ATOM 1537 N ALA A 102 8.747 18.408 -8.809 1.00 0.00 N ATOM 1538 CA ALA A 102 7.411 18.760 -8.440 1.00 0.00 C ATOM 1539 C ALA A 102 6.398 18.978 -9.511 1.00 0.00 C ATOM 1540 O ALA A 102 5.242 18.566 -9.427 1.00 0.00 O ATOM 1541 CB ALA A 102 7.666 19.917 -7.459 1.00 0.00 C ATOM 0 H ALA A 102 9.453 19.086 -8.524 1.00 0.00 H new ATOM 0 HA ALA A 102 6.870 17.920 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.714 20.295 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.266 19.559 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.199 20.718 -7.972 1.00 0.00 H new ATOM 1547 N ALA A 103 6.796 19.598 -10.636 1.00 0.00 N ATOM 1548 CA ALA A 103 5.972 19.798 -11.787 1.00 0.00 C ATOM 1549 C ALA A 103 5.594 18.578 -12.554 1.00 0.00 C ATOM 1550 O ALA A 103 4.496 18.562 -13.109 1.00 0.00 O ATOM 1551 CB ALA A 103 6.541 20.874 -12.726 1.00 0.00 C ATOM 0 H ALA A 103 7.736 19.977 -10.748 1.00 0.00 H new ATOM 0 HA ALA A 103 5.035 20.148 -11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.882 20.992 -13.586 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.613 21.822 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.532 20.573 -13.066 1.00 0.00 H new ATOM 1557 N GLU A 104 6.321 17.460 -12.379 1.00 0.00 N ATOM 1558 CA GLU A 104 5.780 16.202 -12.790 1.00 0.00 C ATOM 1559 C GLU A 104 4.666 15.711 -11.930 1.00 0.00 C ATOM 1560 O GLU A 104 3.721 15.139 -12.471 1.00 0.00 O ATOM 1561 CB GLU A 104 6.864 15.112 -12.757 1.00 0.00 C ATOM 1562 CG GLU A 104 8.106 15.518 -13.554 1.00 0.00 C ATOM 1563 CD GLU A 104 9.187 14.458 -13.711 1.00 0.00 C ATOM 1564 OE1 GLU A 104 8.924 13.444 -14.410 1.00 0.00 O ATOM 1565 OE2 GLU A 104 10.319 14.515 -13.160 1.00 0.00 O ATOM 0 H GLU A 104 7.253 17.424 -11.967 1.00 0.00 H new ATOM 0 HA GLU A 104 5.399 16.382 -13.795 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.146 14.911 -11.723 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.459 14.185 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.787 15.830 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.550 16.390 -13.074 1.00 0.00 H new ATOM 1572 N LEU A 105 4.750 15.871 -10.597 1.00 0.00 N ATOM 1573 CA LEU A 105 3.687 15.390 -9.770 1.00 0.00 C ATOM 1574 C LEU A 105 2.492 16.264 -9.941 1.00 0.00 C ATOM 1575 O LEU A 105 1.378 15.743 -9.980 1.00 0.00 O ATOM 1576 CB LEU A 105 4.222 15.252 -8.335 1.00 0.00 C ATOM 1577 CG LEU A 105 3.251 15.109 -7.151 1.00 0.00 C ATOM 1578 CD1 LEU A 105 2.557 13.739 -7.235 1.00 0.00 C ATOM 1579 CD2 LEU A 105 3.791 15.480 -5.760 1.00 0.00 C ATOM 0 H LEU A 105 5.524 16.317 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 105 3.342 14.397 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.879 14.383 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.844 16.125 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 105 2.502 15.893 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.866 13.629 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.006 13.667 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.306 12.948 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.008 15.335 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.643 14.845 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.105 16.524 -5.758 1.00 0.00 H new ATOM 1591 N ARG A 106 2.618 17.601 -10.021 1.00 0.00 N ATOM 1592 CA ARG A 106 1.538 18.455 -10.406 1.00 0.00 C ATOM 1593 C ARG A 106 0.888 18.173 -11.716 1.00 0.00 C ATOM 1594 O ARG A 106 -0.285 18.450 -11.961 1.00 0.00 O ATOM 1595 CB ARG A 106 2.077 19.895 -10.441 1.00 0.00 C ATOM 1596 CG ARG A 106 1.056 20.950 -10.011 1.00 0.00 C ATOM 1597 CD ARG A 106 1.436 22.334 -10.542 1.00 0.00 C ATOM 1598 NE ARG A 106 0.512 23.276 -9.849 1.00 0.00 N ATOM 1599 CZ ARG A 106 0.917 24.174 -8.904 1.00 0.00 C ATOM 1600 NH1 ARG A 106 2.230 24.462 -8.670 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -0.045 24.931 -8.301 1.00 0.00 N ATOM 0 H ARG A 106 3.485 18.097 -9.815 1.00 0.00 H new ATOM 0 HA ARG A 106 0.756 18.280 -9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 106 2.949 19.962 -9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.415 20.122 -11.452 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.068 20.675 -10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.995 20.979 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.478 22.569 -10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.318 22.388 -11.624 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.478 23.248 -10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.958 23.998 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.483 25.141 -7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.024 24.814 -8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.215 25.614 -7.589 1.00 0.00 H new ATOM 1615 N HIS A 107 1.680 17.709 -12.699 1.00 0.00 N ATOM 1616 CA HIS A 107 1.188 17.388 -14.003 1.00 0.00 C ATOM 1617 C HIS A 107 0.322 16.176 -13.988 1.00 0.00 C ATOM 1618 O HIS A 107 -0.409 15.969 -14.956 1.00 0.00 O ATOM 1619 CB HIS A 107 2.370 17.100 -14.944 1.00 0.00 C ATOM 1620 CG HIS A 107 2.236 16.802 -16.407 1.00 0.00 C ATOM 1621 ND1 HIS A 107 1.977 17.673 -17.446 1.00 0.00 N ATOM 1622 CD2 HIS A 107 2.345 15.551 -16.930 1.00 0.00 C ATOM 1623 CE1 HIS A 107 1.946 16.876 -18.547 1.00 0.00 C ATOM 1624 NE2 HIS A 107 2.201 15.604 -18.301 1.00 0.00 N ATOM 0 H HIS A 107 2.682 17.554 -12.586 1.00 0.00 H new ATOM 0 HA HIS A 107 0.603 18.242 -14.344 1.00 0.00 H new ATOM 0 HB2 HIS A 107 3.032 17.963 -14.871 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.902 16.253 -14.511 1.00 0.00 H new ATOM 0 HD1 HIS A 107 1.840 18.683 -17.399 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.518 14.651 -16.358 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.731 17.251 -19.537 1.00 0.00 H new ATOM 1632 N VAL A 108 0.393 15.273 -12.994 1.00 0.00 N ATOM 1633 CA VAL A 108 -0.481 14.143 -12.934 1.00 0.00 C ATOM 1634 C VAL A 108 -1.809 14.429 -12.322 1.00 0.00 C ATOM 1635 O VAL A 108 -2.847 13.941 -12.766 1.00 0.00 O ATOM 1636 CB VAL A 108 0.251 13.039 -12.231 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -0.628 11.776 -12.229 1.00 0.00 C ATOM 1638 CG2 VAL A 108 1.442 12.733 -13.155 1.00 0.00 C ATOM 0 H VAL A 108 1.062 15.327 -12.226 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.734 13.844 -13.951 1.00 0.00 H new ATOM 0 HB VAL A 108 0.523 13.310 -11.211 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.103 10.968 -11.720 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.564 11.985 -11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.841 11.479 -13.256 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.042 11.932 -12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.074 12.423 -14.133 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.056 13.627 -13.265 1.00 0.00 H new ATOM 1648 N MET A 109 -1.779 15.441 -11.436 1.00 0.00 N ATOM 1649 CA MET A 109 -2.958 15.965 -10.818 1.00 0.00 C ATOM 1650 C MET A 109 -3.840 16.654 -11.801 1.00 0.00 C ATOM 1651 O MET A 109 -5.069 16.616 -11.758 1.00 0.00 O ATOM 1652 CB MET A 109 -2.695 16.779 -9.540 1.00 0.00 C ATOM 1653 CG MET A 109 -2.392 15.817 -8.389 1.00 0.00 C ATOM 1654 SD MET A 109 -3.960 15.157 -7.748 1.00 0.00 S ATOM 1655 CE MET A 109 -3.297 15.074 -6.059 1.00 0.00 C ATOM 0 H MET A 109 -0.919 15.904 -11.143 1.00 0.00 H new ATOM 0 HA MET A 109 -3.515 15.100 -10.457 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.857 17.459 -9.693 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.563 17.392 -9.299 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.754 15.004 -8.735 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.849 16.334 -7.598 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.838 14.316 -5.493 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.239 14.813 -6.096 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.415 16.043 -5.574 1.00 0.00 H new ATOM 1665 N THR A 110 -3.295 17.402 -12.777 1.00 0.00 N ATOM 1666 CA THR A 110 -4.105 17.941 -13.826 1.00 0.00 C ATOM 1667 C THR A 110 -4.555 16.902 -14.794 1.00 0.00 C ATOM 1668 O THR A 110 -5.653 17.052 -15.328 1.00 0.00 O ATOM 1669 CB THR A 110 -3.468 19.015 -14.658 1.00 0.00 C ATOM 1670 OG1 THR A 110 -2.126 18.829 -15.085 1.00 0.00 O ATOM 1671 CG2 THR A 110 -3.448 20.364 -13.920 1.00 0.00 C ATOM 0 H THR A 110 -2.303 17.632 -12.841 1.00 0.00 H new ATOM 0 HA THR A 110 -4.932 18.371 -13.260 1.00 0.00 H new ATOM 0 HB THR A 110 -4.108 18.978 -15.539 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.842 19.601 -15.617 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.980 21.118 -14.553 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.469 20.668 -13.689 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.881 20.264 -12.994 1.00 0.00 H new ATOM 1679 N ASN A 111 -3.831 15.799 -15.054 1.00 0.00 N ATOM 1680 CA ASN A 111 -4.222 14.691 -15.868 1.00 0.00 C ATOM 1681 C ASN A 111 -5.442 13.943 -15.450 1.00 0.00 C ATOM 1682 O ASN A 111 -6.338 13.672 -16.248 1.00 0.00 O ATOM 1683 CB ASN A 111 -3.060 13.694 -16.010 1.00 0.00 C ATOM 1684 CG ASN A 111 -3.243 12.781 -17.214 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -3.599 13.193 -18.318 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -2.992 11.469 -16.962 1.00 0.00 N ATOM 0 H ASN A 111 -2.897 15.674 -14.663 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.486 15.160 -16.816 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.122 14.240 -16.107 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.985 13.091 -15.105 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.097 10.778 -17.705 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.699 11.176 -16.030 1.00 0.00 H new ATOM 1693 N LEU A 112 -5.548 13.735 -14.126 1.00 0.00 N ATOM 1694 CA LEU A 112 -6.682 13.279 -13.383 1.00 0.00 C ATOM 1695 C LEU A 112 -7.724 14.327 -13.194 1.00 0.00 C ATOM 1696 O LEU A 112 -8.939 14.136 -13.204 1.00 0.00 O ATOM 1697 CB LEU A 112 -6.140 12.783 -12.031 1.00 0.00 C ATOM 1698 CG LEU A 112 -5.191 11.573 -12.040 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -4.772 11.403 -10.570 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -5.798 10.310 -12.673 1.00 0.00 C ATOM 0 H LEU A 112 -4.751 13.906 -13.512 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.187 12.486 -13.934 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.620 13.613 -11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.993 12.535 -11.399 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.327 11.743 -12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.090 10.557 -10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.273 12.309 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.656 11.222 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.068 9.501 -12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.689 10.017 -12.118 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.068 10.516 -13.709 1.00 0.00 H new ATOM 1712 N GLY A 113 -7.273 15.587 -13.057 1.00 0.00 N ATOM 1713 CA GLY A 113 -8.055 16.778 -13.179 1.00 0.00 C ATOM 1714 C GLY A 113 -8.485 17.318 -11.858 1.00 0.00 C ATOM 1715 O GLY A 113 -9.459 18.065 -11.784 1.00 0.00 O ATOM 0 H GLY A 113 -6.295 15.786 -12.847 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.476 17.536 -13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.936 16.570 -13.786 1.00 0.00 H new ATOM 1719 N GLU A 114 -7.828 16.776 -10.817 1.00 0.00 N ATOM 1720 CA GLU A 114 -8.004 17.225 -9.471 1.00 0.00 C ATOM 1721 C GLU A 114 -7.090 18.376 -9.225 1.00 0.00 C ATOM 1722 O GLU A 114 -6.288 18.804 -10.053 1.00 0.00 O ATOM 1723 CB GLU A 114 -7.618 16.055 -8.552 1.00 0.00 C ATOM 1724 CG GLU A 114 -7.927 16.293 -7.072 1.00 0.00 C ATOM 1725 CD GLU A 114 -9.364 16.764 -6.898 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -10.319 16.042 -7.290 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -9.461 17.956 -6.499 1.00 0.00 O ATOM 0 H GLU A 114 -7.161 16.010 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.031 17.540 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.144 15.159 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.552 15.857 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.768 15.373 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.242 17.038 -6.666 1.00 0.00 H new ATOM 1734 N LYS A 115 -7.298 19.147 -8.142 1.00 0.00 N ATOM 1735 CA LYS A 115 -6.537 20.314 -7.816 1.00 0.00 C ATOM 1736 C LYS A 115 -5.372 19.980 -6.950 1.00 0.00 C ATOM 1737 O LYS A 115 -5.487 19.386 -5.879 1.00 0.00 O ATOM 1738 CB LYS A 115 -7.473 21.332 -7.144 1.00 0.00 C ATOM 1739 CG LYS A 115 -6.912 22.744 -6.962 1.00 0.00 C ATOM 1740 CD LYS A 115 -7.948 23.768 -6.495 1.00 0.00 C ATOM 1741 CE LYS A 115 -7.751 24.081 -5.011 1.00 0.00 C ATOM 1742 NZ LYS A 115 -8.553 25.279 -4.676 1.00 0.00 N ATOM 0 H LYS A 115 -8.031 18.947 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.124 20.749 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -8.387 21.399 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.754 20.945 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.098 22.710 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.485 23.079 -7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.857 24.682 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.953 23.381 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.062 23.233 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.697 24.258 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.431 25.508 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.235 26.083 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.557 25.090 -4.869 1.00 0.00 H new ATOM 1756 N LEU A 116 -4.218 20.472 -7.435 1.00 0.00 N ATOM 1757 CA LEU A 116 -3.098 20.670 -6.569 1.00 0.00 C ATOM 1758 C LEU A 116 -2.758 22.105 -6.355 1.00 0.00 C ATOM 1759 O LEU A 116 -2.730 22.924 -7.272 1.00 0.00 O ATOM 1760 CB LEU A 116 -1.753 20.070 -7.012 1.00 0.00 C ATOM 1761 CG LEU A 116 -0.903 19.507 -5.861 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -1.418 18.303 -5.055 1.00 0.00 C ATOM 1763 CD2 LEU A 116 0.421 19.123 -6.545 1.00 0.00 C ATOM 0 H LEU A 116 -4.061 20.729 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.475 20.158 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.943 19.274 -7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.179 20.838 -7.531 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.871 20.276 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.691 18.042 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.368 18.559 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.561 17.453 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.105 18.707 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.228 18.380 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.868 20.009 -6.995 1.00 0.00 H new ATOM 1775 N THR A 117 -2.415 22.441 -5.099 1.00 0.00 N ATOM 1776 CA THR A 117 -1.848 23.689 -4.691 1.00 0.00 C ATOM 1777 C THR A 117 -0.368 23.554 -4.585 1.00 0.00 C ATOM 1778 O THR A 117 0.213 22.501 -4.329 1.00 0.00 O ATOM 1779 CB THR A 117 -2.445 24.396 -3.510 1.00 0.00 C ATOM 1780 OG1 THR A 117 -2.120 23.706 -2.312 1.00 0.00 O ATOM 1781 CG2 THR A 117 -3.975 24.384 -3.661 1.00 0.00 C ATOM 0 H THR A 117 -2.542 21.798 -4.317 1.00 0.00 H new ATOM 0 HA THR A 117 -2.126 24.376 -5.491 1.00 0.00 H new ATOM 0 HB THR A 117 -2.057 25.413 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.540 22.821 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.429 24.894 -2.811 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.254 24.896 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.329 23.354 -3.697 1.00 0.00 H new ATOM 1789 N ASP A 118 0.240 24.754 -4.584 1.00 0.00 N ATOM 1790 CA ASP A 118 1.632 24.912 -4.294 1.00 0.00 C ATOM 1791 C ASP A 118 2.173 24.532 -2.959 1.00 0.00 C ATOM 1792 O ASP A 118 3.328 24.131 -2.825 1.00 0.00 O ATOM 1793 CB ASP A 118 1.850 26.410 -4.563 1.00 0.00 C ATOM 1794 CG ASP A 118 1.600 26.707 -6.035 1.00 0.00 C ATOM 1795 OD1 ASP A 118 2.550 26.388 -6.798 1.00 0.00 O ATOM 1796 OD2 ASP A 118 0.486 27.110 -6.465 1.00 0.00 O ATOM 0 H ASP A 118 -0.243 25.629 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 118 2.183 24.196 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.177 27.003 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 118 2.867 26.694 -4.292 1.00 0.00 H new ATOM 1801 N GLU A 119 1.356 24.570 -1.891 1.00 0.00 N ATOM 1802 CA GLU A 119 1.756 24.055 -0.618 1.00 0.00 C ATOM 1803 C GLU A 119 1.786 22.565 -0.611 1.00 0.00 C ATOM 1804 O GLU A 119 2.547 21.930 0.117 1.00 0.00 O ATOM 1805 CB GLU A 119 0.804 24.475 0.514 1.00 0.00 C ATOM 1806 CG GLU A 119 1.058 25.934 0.897 1.00 0.00 C ATOM 1807 CD GLU A 119 -0.084 26.500 1.728 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -0.099 26.154 2.940 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -0.942 27.311 1.287 1.00 0.00 O ATOM 0 H GLU A 119 0.414 24.960 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 119 2.750 24.470 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.231 24.349 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.951 23.832 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.989 26.007 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.183 26.532 -0.006 1.00 0.00 H new ATOM 1816 N GLU A 120 0.853 21.912 -1.326 1.00 0.00 N ATOM 1817 CA GLU A 120 0.629 20.500 -1.368 1.00 0.00 C ATOM 1818 C GLU A 120 1.844 19.920 -2.007 1.00 0.00 C ATOM 1819 O GLU A 120 2.467 19.059 -1.389 1.00 0.00 O ATOM 1820 CB GLU A 120 -0.665 20.097 -2.094 1.00 0.00 C ATOM 1821 CG GLU A 120 -1.919 20.354 -1.256 1.00 0.00 C ATOM 1822 CD GLU A 120 -3.075 20.267 -2.242 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -3.668 19.171 -2.427 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -3.473 21.341 -2.767 1.00 0.00 O ATOM 0 H GLU A 120 0.200 22.417 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 120 0.478 20.112 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.739 20.651 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.617 19.039 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.021 19.615 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.881 21.333 -0.778 1.00 0.00 H new ATOM 1831 N VAL A 121 2.306 20.346 -3.196 1.00 0.00 N ATOM 1832 CA VAL A 121 3.531 19.936 -3.809 1.00 0.00 C ATOM 1833 C VAL A 121 4.734 20.259 -2.993 1.00 0.00 C ATOM 1834 O VAL A 121 5.715 19.518 -2.965 1.00 0.00 O ATOM 1835 CB VAL A 121 3.654 20.374 -5.239 1.00 0.00 C ATOM 1836 CG1 VAL A 121 4.508 21.649 -5.351 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.381 19.322 -6.093 1.00 0.00 C ATOM 0 H VAL A 121 1.791 21.019 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 121 3.486 18.847 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 121 2.634 20.533 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.582 21.946 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.042 22.451 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.506 21.454 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.451 19.674 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.383 19.160 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.825 18.385 -6.067 1.00 0.00 H new ATOM 1847 N ASP A 122 4.758 21.286 -2.125 1.00 0.00 N ATOM 1848 CA ASP A 122 5.860 21.531 -1.248 1.00 0.00 C ATOM 1849 C ASP A 122 5.842 20.443 -0.230 1.00 0.00 C ATOM 1850 O ASP A 122 6.924 19.966 0.108 1.00 0.00 O ATOM 1851 CB ASP A 122 5.732 22.956 -0.684 1.00 0.00 C ATOM 1852 CG ASP A 122 6.914 23.440 0.143 1.00 0.00 C ATOM 1853 OD1 ASP A 122 7.961 23.821 -0.446 1.00 0.00 O ATOM 1854 OD2 ASP A 122 6.710 23.523 1.383 1.00 0.00 O ATOM 0 H ASP A 122 3.997 21.959 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 122 6.833 21.503 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.586 23.646 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 122 4.835 23.005 -0.067 1.00 0.00 H new ATOM 1859 N GLU A 123 4.673 20.069 0.320 1.00 0.00 N ATOM 1860 CA GLU A 123 4.497 19.142 1.394 1.00 0.00 C ATOM 1861 C GLU A 123 4.828 17.739 1.015 1.00 0.00 C ATOM 1862 O GLU A 123 5.521 16.951 1.656 1.00 0.00 O ATOM 1863 CB GLU A 123 3.066 19.152 1.955 1.00 0.00 C ATOM 1864 CG GLU A 123 2.942 18.386 3.274 1.00 0.00 C ATOM 1865 CD GLU A 123 1.525 18.581 3.792 1.00 0.00 C ATOM 1866 OE1 GLU A 123 0.607 17.781 3.466 1.00 0.00 O ATOM 1867 OE2 GLU A 123 1.326 19.462 4.671 1.00 0.00 O ATOM 0 H GLU A 123 3.785 20.444 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 123 5.196 19.483 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.747 20.183 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.389 18.715 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.151 17.327 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.668 18.754 3.999 1.00 0.00 H new ATOM 1874 N MET A 124 4.474 17.413 -0.241 1.00 0.00 N ATOM 1875 CA MET A 124 4.775 16.154 -0.848 1.00 0.00 C ATOM 1876 C MET A 124 6.200 15.833 -1.142 1.00 0.00 C ATOM 1877 O MET A 124 6.768 14.806 -0.775 1.00 0.00 O ATOM 1878 CB MET A 124 3.851 15.978 -2.065 1.00 0.00 C ATOM 1879 CG MET A 124 2.376 15.923 -1.662 1.00 0.00 C ATOM 1880 SD MET A 124 1.096 15.899 -2.953 1.00 0.00 S ATOM 1881 CE MET A 124 1.210 14.145 -3.409 1.00 0.00 C ATOM 0 H MET A 124 3.961 18.047 -0.854 1.00 0.00 H new ATOM 0 HA MET A 124 4.578 15.405 -0.081 1.00 0.00 H new ATOM 0 HB2 MET A 124 4.006 16.803 -2.760 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.117 15.062 -2.593 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.238 15.033 -1.048 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.180 16.784 -1.023 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.763 13.995 -4.392 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.257 13.844 -3.436 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.678 13.542 -2.673 1.00 0.00 H new ATOM 1891 N ILE A 125 6.900 16.733 -1.856 1.00 0.00 N ATOM 1892 CA ILE A 125 8.294 16.707 -2.170 1.00 0.00 C ATOM 1893 C ILE A 125 9.117 16.660 -0.928 1.00 0.00 C ATOM 1894 O ILE A 125 10.153 15.998 -0.926 1.00 0.00 O ATOM 1895 CB ILE A 125 8.623 17.833 -3.105 1.00 0.00 C ATOM 1896 CG1 ILE A 125 9.392 17.426 -4.374 1.00 0.00 C ATOM 1897 CG2 ILE A 125 9.431 18.956 -2.434 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.552 16.617 -5.361 1.00 0.00 C ATOM 0 H ILE A 125 6.444 17.556 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 125 8.547 15.791 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 125 7.632 18.183 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.758 18.324 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 125 10.266 16.841 -4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.637 19.741 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.858 19.372 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.372 18.553 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 125 9.157 16.364 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.207 15.701 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.692 17.207 -5.676 1.00 0.00 H new ATOM 1910 N ARG A 126 8.747 17.443 0.101 1.00 0.00 N ATOM 1911 CA ARG A 126 9.511 17.432 1.310 1.00 0.00 C ATOM 1912 C ARG A 126 9.612 16.119 2.006 1.00 0.00 C ATOM 1913 O ARG A 126 10.667 15.740 2.512 1.00 0.00 O ATOM 1914 CB ARG A 126 8.880 18.489 2.232 1.00 0.00 C ATOM 1915 CG ARG A 126 9.852 18.883 3.346 1.00 0.00 C ATOM 1916 CD ARG A 126 9.143 19.778 4.364 1.00 0.00 C ATOM 1917 NE ARG A 126 10.191 20.123 5.365 1.00 0.00 N ATOM 1918 CZ ARG A 126 10.818 21.319 5.564 1.00 0.00 C ATOM 1919 NH1 ARG A 126 10.236 22.492 5.178 1.00 0.00 N ATOM 1920 NH2 ARG A 126 12.103 21.296 6.025 1.00 0.00 N ATOM 0 H ARG A 126 7.941 18.068 0.099 1.00 0.00 H new ATOM 0 HA ARG A 126 10.546 17.652 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.608 19.370 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.960 18.098 2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.235 17.990 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.710 19.407 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.739 20.673 3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.306 19.259 4.831 1.00 0.00 H new ATOM 0 HE ARG A 126 10.478 19.365 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.318 22.484 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 126 10.719 23.377 5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.563 20.404 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.603 22.170 6.185 1.00 0.00 H new ATOM 1934 N GLU A 127 8.485 15.387 2.068 1.00 0.00 N ATOM 1935 CA GLU A 127 8.245 14.122 2.690 1.00 0.00 C ATOM 1936 C GLU A 127 8.893 13.056 1.875 1.00 0.00 C ATOM 1937 O GLU A 127 9.457 12.088 2.383 1.00 0.00 O ATOM 1938 CB GLU A 127 6.793 13.805 3.087 1.00 0.00 C ATOM 1939 CG GLU A 127 6.448 14.724 4.261 1.00 0.00 C ATOM 1940 CD GLU A 127 5.316 14.093 5.059 1.00 0.00 C ATOM 1941 OE1 GLU A 127 4.277 13.721 4.451 1.00 0.00 O ATOM 1942 OE2 GLU A 127 5.384 13.983 6.312 1.00 0.00 O ATOM 0 H GLU A 127 7.635 15.732 1.622 1.00 0.00 H new ATOM 0 HA GLU A 127 8.709 14.172 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.117 13.976 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.689 12.758 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.322 14.870 4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.151 15.707 3.896 1.00 0.00 H new ATOM 1949 N ALA A 128 8.794 13.168 0.539 1.00 0.00 N ATOM 1950 CA ALA A 128 9.249 12.222 -0.433 1.00 0.00 C ATOM 1951 C ALA A 128 10.726 12.287 -0.623 1.00 0.00 C ATOM 1952 O ALA A 128 11.326 11.230 -0.810 1.00 0.00 O ATOM 1953 CB ALA A 128 8.383 12.451 -1.682 1.00 0.00 C ATOM 0 H ALA A 128 8.362 13.984 0.105 1.00 0.00 H new ATOM 0 HA ALA A 128 9.116 11.187 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 128 8.683 11.755 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.335 12.287 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 128 8.516 13.474 -2.035 1.00 0.00 H new ATOM 1959 N ASP A 129 11.459 13.412 -0.702 1.00 0.00 N ATOM 1960 CA ASP A 129 12.859 13.574 -0.944 1.00 0.00 C ATOM 1961 C ASP A 129 13.592 13.520 0.352 1.00 0.00 C ATOM 1962 O ASP A 129 13.249 14.123 1.367 1.00 0.00 O ATOM 1963 CB ASP A 129 13.228 14.934 -1.561 1.00 0.00 C ATOM 1964 CG ASP A 129 14.731 15.116 -1.718 1.00 0.00 C ATOM 1965 OD1 ASP A 129 15.415 14.129 -2.099 1.00 0.00 O ATOM 1966 OD2 ASP A 129 15.222 16.188 -1.272 1.00 0.00 O ATOM 0 H ASP A 129 11.009 14.319 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 129 13.127 12.776 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.750 15.028 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.832 15.733 -0.934 1.00 0.00 H new ATOM 1971 N ILE A 130 14.711 12.779 0.257 1.00 0.00 N ATOM 1972 CA ILE A 130 15.627 12.562 1.333 1.00 0.00 C ATOM 1973 C ILE A 130 16.849 13.391 1.133 1.00 0.00 C ATOM 1974 O ILE A 130 17.125 14.167 2.047 1.00 0.00 O ATOM 1975 CB ILE A 130 15.899 11.109 1.587 1.00 0.00 C ATOM 1976 CG1 ILE A 130 14.573 10.475 2.039 1.00 0.00 C ATOM 1977 CG2 ILE A 130 17.086 10.956 2.554 1.00 0.00 C ATOM 1978 CD1 ILE A 130 14.586 9.112 2.730 1.00 0.00 C ATOM 0 H ILE A 130 14.989 12.312 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 130 15.161 12.898 2.259 1.00 0.00 H new ATOM 0 HB ILE A 130 16.221 10.569 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.088 11.179 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 130 13.936 10.389 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 130 17.276 9.898 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 130 17.973 11.415 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 130 16.851 11.447 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 130 13.566 8.820 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.023 8.370 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.178 9.173 3.643 1.00 0.00 H new ATOM 1990 N ASP A 131 17.690 13.196 0.102 1.00 0.00 N ATOM 1991 CA ASP A 131 18.997 13.774 0.083 1.00 0.00 C ATOM 1992 C ASP A 131 19.114 15.220 -0.258 1.00 0.00 C ATOM 1993 O ASP A 131 20.238 15.694 -0.409 1.00 0.00 O ATOM 1994 CB ASP A 131 19.999 12.964 -0.757 1.00 0.00 C ATOM 1995 CG ASP A 131 19.667 12.863 -2.239 1.00 0.00 C ATOM 1996 OD1 ASP A 131 18.585 13.351 -2.662 1.00 0.00 O ATOM 1997 OD2 ASP A 131 20.423 12.204 -3.002 1.00 0.00 O ATOM 0 H ASP A 131 17.464 12.637 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 131 19.253 13.719 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 131 20.986 13.415 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 131 20.063 11.957 -0.346 1.00 0.00 H new ATOM 2002 N GLY A 132 17.984 15.950 -0.271 1.00 0.00 N ATOM 2003 CA GLY A 132 17.972 17.362 -0.050 1.00 0.00 C ATOM 2004 C GLY A 132 17.956 18.059 -1.367 1.00 0.00 C ATOM 2005 O GLY A 132 17.848 19.283 -1.306 1.00 0.00 O ATOM 0 H GLY A 132 17.060 15.551 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 132 17.097 17.644 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.849 17.661 0.523 1.00 0.00 H new ATOM 2009 N ASP A 133 18.014 17.405 -2.541 1.00 0.00 N ATOM 2010 CA ASP A 133 18.075 17.967 -3.854 1.00 0.00 C ATOM 2011 C ASP A 133 16.759 18.510 -4.295 1.00 0.00 C ATOM 2012 O ASP A 133 16.686 19.527 -4.984 1.00 0.00 O ATOM 2013 CB ASP A 133 18.719 17.045 -4.903 1.00 0.00 C ATOM 2014 CG ASP A 133 18.165 15.659 -5.200 1.00 0.00 C ATOM 2015 OD1 ASP A 133 17.187 15.194 -4.555 1.00 0.00 O ATOM 2016 OD2 ASP A 133 18.859 14.998 -6.018 1.00 0.00 O ATOM 0 H ASP A 133 18.018 16.385 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 133 18.758 18.813 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 133 18.721 17.593 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 133 19.760 16.912 -4.609 1.00 0.00 H new ATOM 2021 N GLY A 134 15.662 17.820 -3.935 1.00 0.00 N ATOM 2022 CA GLY A 134 14.344 18.282 -4.244 1.00 0.00 C ATOM 2023 C GLY A 134 13.723 17.388 -5.262 1.00 0.00 C ATOM 2024 O GLY A 134 12.551 17.671 -5.507 1.00 0.00 O ATOM 0 H GLY A 134 15.689 16.936 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 134 13.734 18.300 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.386 19.304 -4.621 1.00 0.00 H new ATOM 2028 N GLN A 135 14.473 16.446 -5.862 1.00 0.00 N ATOM 2029 CA GLN A 135 14.020 15.440 -6.771 1.00 0.00 C ATOM 2030 C GLN A 135 13.743 14.233 -5.942 1.00 0.00 C ATOM 2031 O GLN A 135 14.604 13.754 -5.205 1.00 0.00 O ATOM 2032 CB GLN A 135 15.066 15.137 -7.856 1.00 0.00 C ATOM 2033 CG GLN A 135 15.375 16.406 -8.652 1.00 0.00 C ATOM 2034 CD GLN A 135 15.530 16.172 -10.148 1.00 0.00 C ATOM 2035 OE1 GLN A 135 14.983 16.846 -11.020 1.00 0.00 O ATOM 2036 NE2 GLN A 135 16.180 15.058 -10.581 1.00 0.00 N ATOM 0 H GLN A 135 15.478 16.385 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 135 13.130 15.773 -7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 135 15.978 14.754 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 135 14.695 14.360 -8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 135 14.577 17.130 -8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 135 16.292 16.851 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 135 16.656 14.453 -9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 135 16.192 14.828 -11.575 1.00 0.00 H new ATOM 2045 N VAL A 136 12.640 13.548 -6.294 1.00 0.00 N ATOM 2046 CA VAL A 136 12.167 12.362 -5.650 1.00 0.00 C ATOM 2047 C VAL A 136 12.569 11.148 -6.414 1.00 0.00 C ATOM 2048 O VAL A 136 12.131 11.069 -7.561 1.00 0.00 O ATOM 2049 CB VAL A 136 10.710 12.350 -5.291 1.00 0.00 C ATOM 2050 CG1 VAL A 136 10.335 11.006 -4.645 1.00 0.00 C ATOM 2051 CG2 VAL A 136 10.413 13.539 -4.362 1.00 0.00 C ATOM 0 H VAL A 136 12.046 13.838 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 136 12.663 12.353 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 136 10.100 12.456 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.276 11.009 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.537 10.196 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 136 10.927 10.859 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.356 13.538 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 136 11.015 13.453 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 136 10.657 14.470 -4.873 1.00 0.00 H new ATOM 2061 N ASN A 137 13.489 10.320 -5.888 1.00 0.00 N ATOM 2062 CA ASN A 137 13.829 9.074 -6.502 1.00 0.00 C ATOM 2063 C ASN A 137 13.117 7.903 -5.917 1.00 0.00 C ATOM 2064 O ASN A 137 12.263 8.026 -5.041 1.00 0.00 O ATOM 2065 CB ASN A 137 15.344 8.955 -6.265 1.00 0.00 C ATOM 2066 CG ASN A 137 16.021 8.039 -7.275 1.00 0.00 C ATOM 2067 OD1 ASN A 137 15.477 7.177 -7.963 1.00 0.00 O ATOM 2068 ND2 ASN A 137 17.379 8.020 -7.200 1.00 0.00 N ATOM 0 H ASN A 137 14.002 10.516 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 137 13.539 9.065 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 137 15.796 9.946 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 137 15.523 8.576 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 137 17.908 7.308 -7.704 1.00 0.00 H new ATOM 0 HD22 ASN A 137 17.869 8.718 -6.640 1.00 0.00 H new ATOM 2075 N TYR A 138 13.255 6.701 -6.505 1.00 0.00 N ATOM 2076 CA TYR A 138 12.306 5.655 -6.284 1.00 0.00 C ATOM 2077 C TYR A 138 12.278 5.137 -4.887 1.00 0.00 C ATOM 2078 O TYR A 138 11.229 4.852 -4.311 1.00 0.00 O ATOM 2079 CB TYR A 138 12.604 4.608 -7.371 1.00 0.00 C ATOM 2080 CG TYR A 138 11.700 3.428 -7.265 1.00 0.00 C ATOM 2081 CD1 TYR A 138 10.339 3.521 -7.435 1.00 0.00 C ATOM 2082 CD2 TYR A 138 12.193 2.237 -6.787 1.00 0.00 C ATOM 2083 CE1 TYR A 138 9.501 2.494 -7.068 1.00 0.00 C ATOM 2084 CE2 TYR A 138 11.420 1.128 -6.536 1.00 0.00 C ATOM 2085 CZ TYR A 138 10.061 1.321 -6.619 1.00 0.00 C ATOM 2086 OH TYR A 138 9.327 0.201 -6.176 1.00 0.00 O ATOM 0 H TYR A 138 14.021 6.454 -7.131 1.00 0.00 H new ATOM 0 HA TYR A 138 11.282 6.017 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 138 12.493 5.064 -8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 138 13.640 4.281 -7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 138 9.919 4.418 -7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 138 13.254 2.168 -6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 138 8.429 2.606 -7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 138 11.851 0.169 -6.290 1.00 0.00 H new ATOM 0 HH TYR A 138 9.946 -0.510 -5.908 1.00 0.00 H new ATOM 2096 N GLU A 139 13.490 5.001 -4.321 1.00 0.00 N ATOM 2097 CA GLU A 139 13.716 4.430 -3.029 1.00 0.00 C ATOM 2098 C GLU A 139 13.269 5.398 -1.988 1.00 0.00 C ATOM 2099 O GLU A 139 12.796 5.017 -0.919 1.00 0.00 O ATOM 2100 CB GLU A 139 15.096 3.842 -2.690 1.00 0.00 C ATOM 2101 CG GLU A 139 15.462 2.599 -3.503 1.00 0.00 C ATOM 2102 CD GLU A 139 16.861 2.086 -3.192 1.00 0.00 C ATOM 2103 OE1 GLU A 139 17.175 1.705 -2.033 1.00 0.00 O ATOM 2104 OE2 GLU A 139 17.701 2.106 -4.131 1.00 0.00 O ATOM 0 H GLU A 139 14.349 5.301 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 139 13.116 3.520 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 139 15.855 4.607 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 139 15.121 3.590 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.737 1.811 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 139 15.392 2.831 -4.566 1.00 0.00 H new ATOM 2111 N GLU A 140 13.380 6.717 -2.224 1.00 0.00 N ATOM 2112 CA GLU A 140 12.912 7.821 -1.445 1.00 0.00 C ATOM 2113 C GLU A 140 11.431 7.845 -1.283 1.00 0.00 C ATOM 2114 O GLU A 140 10.824 7.749 -0.218 1.00 0.00 O ATOM 2115 CB GLU A 140 13.473 9.121 -2.044 1.00 0.00 C ATOM 2116 CG GLU A 140 14.987 9.268 -2.207 1.00 0.00 C ATOM 2117 CD GLU A 140 15.394 10.684 -2.589 1.00 0.00 C ATOM 2118 OE1 GLU A 140 14.900 11.223 -3.615 1.00 0.00 O ATOM 2119 OE2 GLU A 140 16.321 11.311 -2.010 1.00 0.00 O ATOM 0 H GLU A 140 13.856 7.045 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 140 13.284 7.710 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.022 9.252 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.127 9.946 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 140 15.479 8.990 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 140 15.337 8.574 -2.971 1.00 0.00 H new ATOM 2126 N PHE A 141 10.745 7.811 -2.440 1.00 0.00 N ATOM 2127 CA PHE A 141 9.358 7.597 -2.711 1.00 0.00 C ATOM 2128 C PHE A 141 8.778 6.466 -1.935 1.00 0.00 C ATOM 2129 O PHE A 141 7.795 6.585 -1.204 1.00 0.00 O ATOM 2130 CB PHE A 141 9.152 7.470 -4.230 1.00 0.00 C ATOM 2131 CG PHE A 141 7.723 7.282 -4.610 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.990 8.443 -4.691 1.00 0.00 C ATOM 2133 CD2 PHE A 141 7.207 6.132 -5.157 1.00 0.00 C ATOM 2134 CE1 PHE A 141 5.765 8.500 -5.313 1.00 0.00 C ATOM 2135 CE2 PHE A 141 5.936 6.164 -5.682 1.00 0.00 C ATOM 2136 CZ PHE A 141 5.228 7.336 -5.810 1.00 0.00 C ATOM 0 H PHE A 141 11.248 7.957 -3.315 1.00 0.00 H new ATOM 0 HA PHE A 141 8.798 8.465 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 141 9.538 8.364 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 141 9.735 6.627 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 141 7.391 9.343 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 141 7.788 5.221 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 141 5.237 9.437 -5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 141 5.480 5.240 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 141 4.263 7.342 -6.295 1.00 0.00 H new ATOM 2146 N VAL A 142 9.469 5.325 -2.108 1.00 0.00 N ATOM 2147 CA VAL A 142 9.051 4.097 -1.506 1.00 0.00 C ATOM 2148 C VAL A 142 9.241 4.065 -0.028 1.00 0.00 C ATOM 2149 O VAL A 142 8.509 3.506 0.787 1.00 0.00 O ATOM 2150 CB VAL A 142 9.676 2.863 -2.085 1.00 0.00 C ATOM 2151 CG1 VAL A 142 9.385 1.610 -1.242 1.00 0.00 C ATOM 2152 CG2 VAL A 142 9.011 2.764 -3.469 1.00 0.00 C ATOM 0 H VAL A 142 10.320 5.253 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 142 7.987 4.079 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 142 10.764 2.922 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 142 9.859 0.743 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 142 9.781 1.748 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.308 1.449 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 142 9.393 1.889 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.932 2.672 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.237 3.661 -4.046 1.00 0.00 H new ATOM 2162 N GLN A 143 10.373 4.552 0.510 1.00 0.00 N ATOM 2163 CA GLN A 143 10.588 4.672 1.918 1.00 0.00 C ATOM 2164 C GLN A 143 9.721 5.644 2.642 1.00 0.00 C ATOM 2165 O GLN A 143 9.306 5.415 3.777 1.00 0.00 O ATOM 2166 CB GLN A 143 12.076 4.934 2.205 1.00 0.00 C ATOM 2167 CG GLN A 143 12.463 5.304 3.638 1.00 0.00 C ATOM 2168 CD GLN A 143 12.396 4.048 4.494 1.00 0.00 C ATOM 2169 OE1 GLN A 143 13.340 3.259 4.495 1.00 0.00 O ATOM 2170 NE2 GLN A 143 11.358 3.974 5.370 1.00 0.00 N ATOM 0 H GLN A 143 11.162 4.872 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 143 10.281 3.709 2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 143 12.635 4.041 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 143 12.409 5.738 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 143 13.468 5.726 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.788 6.065 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.601 4.656 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 143 11.336 3.236 6.074 1.00 0.00 H new ATOM 2179 N MET A 144 9.169 6.686 1.995 1.00 0.00 N ATOM 2180 CA MET A 144 8.072 7.498 2.423 1.00 0.00 C ATOM 2181 C MET A 144 6.875 6.652 2.689 1.00 0.00 C ATOM 2182 O MET A 144 6.200 6.874 3.693 1.00 0.00 O ATOM 2183 CB MET A 144 7.779 8.621 1.414 1.00 0.00 C ATOM 2184 CG MET A 144 6.560 9.527 1.601 1.00 0.00 C ATOM 2185 SD MET A 144 6.053 10.562 0.195 1.00 0.00 S ATOM 2186 CE MET A 144 5.462 9.200 -0.851 1.00 0.00 C ATOM 0 H MET A 144 9.526 6.986 1.088 1.00 0.00 H new ATOM 0 HA MET A 144 8.345 7.986 3.358 1.00 0.00 H new ATOM 0 HB2 MET A 144 8.658 9.265 1.383 1.00 0.00 H new ATOM 0 HB3 MET A 144 7.689 8.157 0.432 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.714 8.898 1.877 1.00 0.00 H new ATOM 0 HG3 MET A 144 6.758 10.185 2.448 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.858 9.602 -1.664 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.315 8.662 -1.264 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.858 8.518 -0.253 1.00 0.00 H new ATOM 2196 N MET A 145 6.524 5.752 1.753 1.00 0.00 N ATOM 2197 CA MET A 145 5.415 4.858 1.619 1.00 0.00 C ATOM 2198 C MET A 145 5.526 3.891 2.747 1.00 0.00 C ATOM 2199 O MET A 145 4.546 3.396 3.301 1.00 0.00 O ATOM 2200 CB MET A 145 5.388 4.320 0.178 1.00 0.00 C ATOM 2201 CG MET A 145 4.794 5.397 -0.732 1.00 0.00 C ATOM 2202 SD MET A 145 4.775 4.903 -2.481 1.00 0.00 S ATOM 2203 CE MET A 145 3.318 5.947 -2.773 1.00 0.00 C ATOM 0 H MET A 145 7.138 5.638 0.946 1.00 0.00 H new ATOM 0 HA MET A 145 4.425 5.303 1.721 1.00 0.00 H new ATOM 0 HB2 MET A 145 6.395 4.062 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.792 3.409 0.125 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.777 5.619 -0.410 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.370 6.316 -0.624 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.096 5.971 -3.840 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.464 5.538 -2.234 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.519 6.959 -2.421 1.00 0.00 H new