USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 121 ASN :FLIP amide:sc= -7.61! C(o=-7.8!,f=-6.6!) USER MOD Set 1.2: A 140 THR OG1 : rot 172:sc= 1.05 USER MOD Set 2.1: A 129 SER OG : rot 180:sc= 0.00371 USER MOD Set 2.2: A 132 GLN : amide:sc= 0 X(o=0.0037,f=-0.065) USER MOD Set 3.1: A 126 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 127 ASN :FLIP amide:sc= -2.48 F(o=-3.7,f=-2.5) USER MOD Set 4.1: A 112 HIS :FLIP no HD1:sc= -0.518 F(o=-4.7,f=-3.8) USER MOD Set 4.2: A 151 ASN : amide:sc= -3.31 K(o=-3.8,f=-9.6!) USER MOD Set 5.1: A 73 GLN : amide:sc= -0.203 K(o=-2.8,f=-4.3!) USER MOD Set 5.2: A 145 SER OG : rot 180:sc= -2.63 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 91:sc= 0.378 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot -140:sc= 0.365 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS :FLIP no HD1:sc= -0.0654 F(o=-1.6!,f=-0.065) USER MOD Single : A 134 GLN : amide:sc= -2.2 K(o=-2.2,f=-5.3!) USER MOD Single : A 135 LYS NZ :NH3+ 159:sc= -0.0165 (180deg=-0.228) USER MOD Single : A 137 MET CE :methyl -158:sc= 0 (180deg=-0.798) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0587) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 13.572 0.311 6.213 1.00 0.00 N ATOM 2 CA VAL A 69 12.317 0.097 5.447 1.00 0.00 C ATOM 3 C VAL A 69 11.408 -0.907 6.148 1.00 0.00 C ATOM 4 O VAL A 69 11.725 -1.400 7.231 1.00 0.00 O ATOM 5 CB VAL A 69 12.610 -0.403 4.017 1.00 0.00 C ATOM 6 CG1 VAL A 69 13.402 0.637 3.236 1.00 0.00 C ATOM 7 CG2 VAL A 69 13.348 -1.734 4.052 1.00 0.00 C ATOM 0 HA VAL A 69 11.812 1.062 5.391 1.00 0.00 H new ATOM 0 HB VAL A 69 11.659 -0.558 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.598 0.265 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.828 1.561 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.348 0.830 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.544 -2.068 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.292 -1.613 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.736 -2.476 4.565 1.00 0.00 H new ATOM 17 N ARG A 70 10.277 -1.198 5.520 1.00 0.00 N ATOM 18 CA ARG A 70 9.308 -2.138 6.070 1.00 0.00 C ATOM 19 C ARG A 70 8.459 -2.722 4.949 1.00 0.00 C ATOM 20 O ARG A 70 8.399 -2.158 3.857 1.00 0.00 O ATOM 21 CB ARG A 70 8.416 -1.433 7.095 1.00 0.00 C ATOM 22 CG ARG A 70 8.469 -2.052 8.481 1.00 0.00 C ATOM 23 CD ARG A 70 7.637 -3.322 8.555 1.00 0.00 C ATOM 24 NE ARG A 70 7.377 -3.727 9.935 1.00 0.00 N ATOM 25 CZ ARG A 70 8.261 -4.362 10.700 1.00 0.00 C ATOM 26 NH1 ARG A 70 9.462 -4.669 10.224 1.00 0.00 N ATOM 27 NH2 ARG A 70 7.945 -4.693 11.945 1.00 0.00 N ATOM 0 H ARG A 70 10.006 -0.794 4.623 1.00 0.00 H new ATOM 0 HA ARG A 70 9.841 -2.948 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.713 -0.387 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.386 -1.449 6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.503 -2.277 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.105 -1.334 9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.690 -3.165 8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.156 -4.126 8.033 1.00 0.00 H new ATOM 0 HE ARG A 70 6.464 -3.510 10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.711 -4.418 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.136 -5.156 10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.024 -4.461 12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.623 -5.180 12.531 1.00 0.00 H new ATOM 41 N LEU A 71 7.803 -3.846 5.211 1.00 0.00 N ATOM 42 CA LEU A 71 6.966 -4.471 4.194 1.00 0.00 C ATOM 43 C LEU A 71 5.585 -4.810 4.748 1.00 0.00 C ATOM 44 O LEU A 71 5.420 -5.043 5.946 1.00 0.00 O ATOM 45 CB LEU A 71 7.653 -5.723 3.621 1.00 0.00 C ATOM 46 CG LEU A 71 7.172 -7.078 4.164 1.00 0.00 C ATOM 47 CD1 LEU A 71 6.800 -8.006 3.018 1.00 0.00 C ATOM 48 CD2 LEU A 71 8.241 -7.714 5.041 1.00 0.00 C ATOM 0 H LEU A 71 7.833 -4.337 6.104 1.00 0.00 H new ATOM 0 HA LEU A 71 6.830 -3.756 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.518 -5.721 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.724 -5.641 3.809 1.00 0.00 H new ATOM 0 HG LEU A 71 6.285 -6.909 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.461 -8.961 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.001 -7.555 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.671 -8.167 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.881 -8.672 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.147 -7.870 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.461 -7.056 5.881 1.00 0.00 H new ATOM 60 N ILE A 72 4.602 -4.842 3.859 1.00 0.00 N ATOM 61 CA ILE A 72 3.231 -5.158 4.234 1.00 0.00 C ATOM 62 C ILE A 72 2.669 -6.231 3.312 1.00 0.00 C ATOM 63 O ILE A 72 2.554 -6.022 2.105 1.00 0.00 O ATOM 64 CB ILE A 72 2.325 -3.912 4.169 1.00 0.00 C ATOM 65 CG1 ILE A 72 3.083 -2.677 4.662 1.00 0.00 C ATOM 66 CG2 ILE A 72 1.060 -4.129 4.985 1.00 0.00 C ATOM 67 CD1 ILE A 72 3.473 -2.747 6.123 1.00 0.00 C ATOM 0 H ILE A 72 4.731 -4.651 2.865 1.00 0.00 H new ATOM 0 HA ILE A 72 3.248 -5.521 5.261 1.00 0.00 H new ATOM 0 HB ILE A 72 2.036 -3.746 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.983 -2.549 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.465 -1.794 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.433 -3.239 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.513 -4.985 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.326 -4.319 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.006 -1.838 6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.576 -2.843 6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.118 -3.610 6.286 1.00 0.00 H new ATOM 79 N GLN A 73 2.335 -7.386 3.878 1.00 0.00 N ATOM 80 CA GLN A 73 1.805 -8.485 3.086 1.00 0.00 C ATOM 81 C GLN A 73 0.351 -8.767 3.431 1.00 0.00 C ATOM 82 O GLN A 73 0.027 -9.126 4.564 1.00 0.00 O ATOM 83 CB GLN A 73 2.647 -9.744 3.300 1.00 0.00 C ATOM 84 CG GLN A 73 3.650 -10.000 2.187 1.00 0.00 C ATOM 85 CD GLN A 73 3.344 -11.261 1.402 1.00 0.00 C ATOM 86 OE1 GLN A 73 2.740 -12.199 1.923 1.00 0.00 O ATOM 87 NE2 GLN A 73 3.760 -11.290 0.142 1.00 0.00 N ATOM 0 H GLN A 73 2.422 -7.583 4.875 1.00 0.00 H new ATOM 0 HA GLN A 73 1.853 -8.194 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.181 -9.658 4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.984 -10.605 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.659 -9.147 1.508 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.650 -10.077 2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.257 -10.490 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.583 -12.112 -0.435 1.00 0.00 H new ATOM 96 N PHE A 74 -0.521 -8.622 2.440 1.00 0.00 N ATOM 97 CA PHE A 74 -1.941 -8.885 2.636 1.00 0.00 C ATOM 98 C PHE A 74 -2.474 -9.769 1.516 1.00 0.00 C ATOM 99 O PHE A 74 -1.790 -9.995 0.518 1.00 0.00 O ATOM 100 CB PHE A 74 -2.740 -7.580 2.715 1.00 0.00 C ATOM 101 CG PHE A 74 -2.631 -6.707 1.496 1.00 0.00 C ATOM 102 CD1 PHE A 74 -3.118 -7.133 0.269 1.00 0.00 C ATOM 103 CD2 PHE A 74 -2.049 -5.453 1.582 1.00 0.00 C ATOM 104 CE1 PHE A 74 -3.022 -6.325 -0.848 1.00 0.00 C ATOM 105 CE2 PHE A 74 -1.953 -4.640 0.469 1.00 0.00 C ATOM 106 CZ PHE A 74 -2.439 -5.077 -0.747 1.00 0.00 C ATOM 0 H PHE A 74 -0.271 -8.325 1.497 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.060 -9.409 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.790 -7.821 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.402 -7.014 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.577 -8.107 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.666 -5.107 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.402 -6.669 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.498 -3.664 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.363 -4.444 -1.618 1.00 0.00 H new ATOM 116 N GLU A 75 -3.691 -10.276 1.685 1.00 0.00 N ATOM 117 CA GLU A 75 -4.297 -11.144 0.681 1.00 0.00 C ATOM 118 C GLU A 75 -5.515 -10.492 0.036 1.00 0.00 C ATOM 119 O GLU A 75 -6.368 -9.929 0.723 1.00 0.00 O ATOM 120 CB GLU A 75 -4.699 -12.482 1.313 1.00 0.00 C ATOM 121 CG GLU A 75 -6.017 -12.433 2.073 1.00 0.00 C ATOM 122 CD GLU A 75 -6.383 -13.768 2.693 1.00 0.00 C ATOM 123 OE1 GLU A 75 -6.159 -14.808 2.038 1.00 0.00 O ATOM 124 OE2 GLU A 75 -6.893 -13.774 3.832 1.00 0.00 O ATOM 0 H GLU A 75 -4.275 -10.102 2.503 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.554 -11.317 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.770 -13.236 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.910 -12.803 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.952 -11.678 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.812 -12.121 1.395 1.00 0.00 H new ATOM 244 N GLY A 83 -9.815 -2.061 1.474 1.00 0.00 N ATOM 245 CA GLY A 83 -9.991 -0.885 0.644 1.00 0.00 C ATOM 246 C GLY A 83 -9.153 0.283 1.120 1.00 0.00 C ATOM 247 O GLY A 83 -9.652 1.179 1.802 1.00 0.00 O ATOM 0 HA2 GLY A 83 -9.724 -1.126 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.043 -0.598 0.642 1.00 0.00 H new ATOM 251 N ILE A 84 -7.873 0.269 0.766 1.00 0.00 N ATOM 252 CA ILE A 84 -6.958 1.330 1.167 1.00 0.00 C ATOM 253 C ILE A 84 -6.539 2.184 -0.026 1.00 0.00 C ATOM 254 O ILE A 84 -6.574 1.731 -1.170 1.00 0.00 O ATOM 255 CB ILE A 84 -5.700 0.751 1.848 1.00 0.00 C ATOM 256 CG1 ILE A 84 -4.887 -0.090 0.858 1.00 0.00 C ATOM 257 CG2 ILE A 84 -6.095 -0.084 3.056 1.00 0.00 C ATOM 258 CD1 ILE A 84 -3.404 0.213 0.884 1.00 0.00 C ATOM 0 H ILE A 84 -7.446 -0.466 0.202 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.492 1.959 1.879 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.076 1.579 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.038 -1.146 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.267 0.081 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.199 -0.487 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.632 0.540 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.738 -0.905 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.891 -0.419 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.242 1.261 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.010 0.015 1.881 1.00 0.00 H new ATOM 270 N THR A 85 -6.141 3.421 0.252 1.00 0.00 N ATOM 271 CA THR A 85 -5.713 4.339 -0.794 1.00 0.00 C ATOM 272 C THR A 85 -4.587 5.236 -0.290 1.00 0.00 C ATOM 273 O THR A 85 -4.438 5.439 0.915 1.00 0.00 O ATOM 274 CB THR A 85 -6.897 5.188 -1.266 1.00 0.00 C ATOM 275 OG1 THR A 85 -7.879 4.379 -1.886 1.00 0.00 O ATOM 276 CG2 THR A 85 -6.510 6.271 -2.248 1.00 0.00 C ATOM 0 H THR A 85 -6.106 3.810 1.194 1.00 0.00 H new ATOM 0 HA THR A 85 -5.339 3.757 -1.636 1.00 0.00 H new ATOM 0 HB THR A 85 -7.285 5.662 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.627 4.940 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.398 6.832 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.791 6.945 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.062 5.817 -3.132 1.00 0.00 H new ATOM 284 N LEU A 86 -3.796 5.769 -1.215 1.00 0.00 N ATOM 285 CA LEU A 86 -2.687 6.643 -0.851 1.00 0.00 C ATOM 286 C LEU A 86 -2.776 7.977 -1.576 1.00 0.00 C ATOM 287 O LEU A 86 -3.255 8.058 -2.708 1.00 0.00 O ATOM 288 CB LEU A 86 -1.344 5.976 -1.156 1.00 0.00 C ATOM 289 CG LEU A 86 -1.144 5.551 -2.609 1.00 0.00 C ATOM 290 CD1 LEU A 86 0.323 5.259 -2.881 1.00 0.00 C ATOM 291 CD2 LEU A 86 -2.003 4.338 -2.925 1.00 0.00 C ATOM 0 H LEU A 86 -3.901 5.612 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.755 6.826 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.544 6.664 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.240 5.097 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.453 6.370 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.447 4.958 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.914 6.155 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.661 4.455 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.851 4.045 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.722 3.513 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.053 4.585 -2.767 1.00 0.00 H new ATOM 303 N LYS A 87 -2.302 9.020 -0.910 1.00 0.00 N ATOM 304 CA LYS A 87 -2.310 10.363 -1.467 1.00 0.00 C ATOM 305 C LYS A 87 -0.890 10.906 -1.554 1.00 0.00 C ATOM 306 O LYS A 87 -0.138 10.866 -0.579 1.00 0.00 O ATOM 307 CB LYS A 87 -3.175 11.290 -0.608 1.00 0.00 C ATOM 308 CG LYS A 87 -4.614 11.409 -1.087 1.00 0.00 C ATOM 309 CD LYS A 87 -5.261 10.044 -1.273 1.00 0.00 C ATOM 310 CE LYS A 87 -6.686 10.027 -0.743 1.00 0.00 C ATOM 311 NZ LYS A 87 -7.673 10.412 -1.790 1.00 0.00 N ATOM 0 H LYS A 87 -1.903 8.959 0.027 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.732 10.320 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.173 10.924 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.724 12.282 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.190 11.990 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.640 11.955 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.262 9.782 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.671 9.287 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.923 9.031 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.767 10.711 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.632 10.388 -1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.463 11.373 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.614 9.744 -2.585 1.00 0.00 H new ATOM 325 N LEU A 88 -0.519 11.399 -2.725 1.00 0.00 N ATOM 326 CA LEU A 88 0.817 11.940 -2.928 1.00 0.00 C ATOM 327 C LEU A 88 0.764 13.309 -3.596 1.00 0.00 C ATOM 328 O LEU A 88 -0.209 13.646 -4.272 1.00 0.00 O ATOM 329 CB LEU A 88 1.648 10.982 -3.773 1.00 0.00 C ATOM 330 CG LEU A 88 1.035 10.622 -5.125 1.00 0.00 C ATOM 331 CD1 LEU A 88 1.644 11.476 -6.222 1.00 0.00 C ATOM 332 CD2 LEU A 88 1.226 9.142 -5.423 1.00 0.00 C ATOM 0 H LEU A 88 -1.121 11.436 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 88 1.284 12.057 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.629 11.426 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.807 10.065 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.036 10.823 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.198 11.209 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.452 12.528 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.720 11.304 -6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.783 8.905 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.291 8.910 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.742 8.549 -4.647 1.00 0.00 H new ATOM 344 N ASN A 89 1.823 14.088 -3.414 1.00 0.00 N ATOM 345 CA ASN A 89 1.910 15.414 -4.009 1.00 0.00 C ATOM 346 C ASN A 89 2.366 15.309 -5.464 1.00 0.00 C ATOM 347 O ASN A 89 2.256 14.249 -6.079 1.00 0.00 O ATOM 348 CB ASN A 89 2.876 16.293 -3.210 1.00 0.00 C ATOM 349 CG ASN A 89 2.656 16.186 -1.714 1.00 0.00 C ATOM 350 OD1 ASN A 89 1.633 16.630 -1.192 1.00 0.00 O ATOM 351 ND2 ASN A 89 3.618 15.595 -1.016 1.00 0.00 N ATOM 0 H ASN A 89 2.635 13.823 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 89 0.922 15.874 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.901 16.007 -3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.757 17.332 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.526 15.494 -0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.449 15.242 -1.490 1.00 0.00 H new ATOM 358 N GLU A 90 2.882 16.407 -6.011 1.00 0.00 N ATOM 359 CA GLU A 90 3.354 16.419 -7.392 1.00 0.00 C ATOM 360 C GLU A 90 4.729 15.759 -7.518 1.00 0.00 C ATOM 361 O GLU A 90 5.286 15.680 -8.612 1.00 0.00 O ATOM 362 CB GLU A 90 3.416 17.854 -7.916 1.00 0.00 C ATOM 363 CG GLU A 90 4.435 18.722 -7.195 1.00 0.00 C ATOM 364 CD GLU A 90 4.576 20.096 -7.820 1.00 0.00 C ATOM 365 OE1 GLU A 90 3.572 20.612 -8.353 1.00 0.00 O ATOM 366 OE2 GLU A 90 5.692 20.655 -7.776 1.00 0.00 O ATOM 0 H GLU A 90 2.983 17.296 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 90 2.647 15.845 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.656 17.834 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.430 18.310 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.141 18.830 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.403 18.222 -7.203 1.00 0.00 H new ATOM 373 N LYS A 91 5.275 15.294 -6.396 1.00 0.00 N ATOM 374 CA LYS A 91 6.585 14.651 -6.391 1.00 0.00 C ATOM 375 C LYS A 91 6.474 13.147 -6.643 1.00 0.00 C ATOM 376 O LYS A 91 7.475 12.482 -6.910 1.00 0.00 O ATOM 377 CB LYS A 91 7.288 14.899 -5.055 1.00 0.00 C ATOM 378 CG LYS A 91 8.248 16.076 -5.081 1.00 0.00 C ATOM 379 CD LYS A 91 7.525 17.378 -5.388 1.00 0.00 C ATOM 380 CE LYS A 91 8.496 18.462 -5.831 1.00 0.00 C ATOM 381 NZ LYS A 91 9.383 18.901 -4.719 1.00 0.00 N ATOM 0 H LYS A 91 4.830 15.351 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 91 7.171 15.088 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.536 15.071 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.836 14.001 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.752 16.157 -4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.019 15.901 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.785 17.209 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.983 17.712 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.104 18.090 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.937 19.318 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.029 19.640 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.804 19.280 -3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.936 18.090 -4.375 1.00 0.00 H new ATOM 395 N GLN A 92 5.259 12.610 -6.550 1.00 0.00 N ATOM 396 CA GLN A 92 5.039 11.181 -6.761 1.00 0.00 C ATOM 397 C GLN A 92 5.695 10.370 -5.649 1.00 0.00 C ATOM 398 O GLN A 92 6.466 9.446 -5.910 1.00 0.00 O ATOM 399 CB GLN A 92 5.593 10.750 -8.123 1.00 0.00 C ATOM 400 CG GLN A 92 5.162 11.652 -9.269 1.00 0.00 C ATOM 401 CD GLN A 92 4.361 10.915 -10.324 1.00 0.00 C ATOM 402 OE1 GLN A 92 3.820 9.839 -10.070 1.00 0.00 O ATOM 403 NE2 GLN A 92 4.283 11.491 -11.517 1.00 0.00 N ATOM 0 H GLN A 92 4.416 13.140 -6.331 1.00 0.00 H new ATOM 0 HA GLN A 92 3.965 10.993 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 92 6.682 10.734 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.268 9.731 -8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.565 12.474 -8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.045 12.093 -9.731 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.747 12.384 -11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.759 11.041 -12.267 1.00 0.00 H new ATOM 412 N SER A 93 5.394 10.732 -4.405 1.00 0.00 N ATOM 413 CA SER A 93 5.967 10.044 -3.252 1.00 0.00 C ATOM 414 C SER A 93 4.984 9.064 -2.618 1.00 0.00 C ATOM 415 O SER A 93 5.237 8.543 -1.532 1.00 0.00 O ATOM 416 CB SER A 93 6.430 11.065 -2.214 1.00 0.00 C ATOM 417 OG SER A 93 7.844 11.086 -2.115 1.00 0.00 O ATOM 0 H SER A 93 4.759 11.495 -4.170 1.00 0.00 H new ATOM 0 HA SER A 93 6.820 9.466 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.067 12.056 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.998 10.823 -1.243 1.00 0.00 H new ATOM 0 HG SER A 93 8.115 11.748 -1.446 1.00 0.00 H new ATOM 423 N CYS A 94 3.880 8.809 -3.311 1.00 0.00 N ATOM 424 CA CYS A 94 2.847 7.876 -2.840 1.00 0.00 C ATOM 425 C CYS A 94 2.798 7.792 -1.316 1.00 0.00 C ATOM 426 O CYS A 94 3.394 6.894 -0.721 1.00 0.00 O ATOM 427 CB CYS A 94 3.085 6.477 -3.420 1.00 0.00 C ATOM 428 SG CYS A 94 4.788 6.161 -3.948 1.00 0.00 S ATOM 0 H CYS A 94 3.670 9.238 -4.212 1.00 0.00 H new ATOM 0 HA CYS A 94 1.889 8.262 -3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.807 5.735 -2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.421 6.334 -4.273 1.00 0.00 H new ATOM 0 HG CYS A 94 5.461 5.651 -2.960 1.00 0.00 H new ATOM 434 N THR A 95 2.084 8.719 -0.685 1.00 0.00 N ATOM 435 CA THR A 95 1.972 8.715 0.767 1.00 0.00 C ATOM 436 C THR A 95 0.631 8.138 1.192 1.00 0.00 C ATOM 437 O THR A 95 -0.420 8.698 0.888 1.00 0.00 O ATOM 438 CB THR A 95 2.146 10.128 1.331 1.00 0.00 C ATOM 439 OG1 THR A 95 3.508 10.512 1.306 1.00 0.00 O ATOM 440 CG2 THR A 95 1.656 10.274 2.761 1.00 0.00 C ATOM 0 H THR A 95 1.580 9.474 -1.151 1.00 0.00 H new ATOM 0 HA THR A 95 2.767 8.087 1.169 1.00 0.00 H new ATOM 0 HB THR A 95 1.540 10.768 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.599 11.418 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.810 11.300 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.594 10.033 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.212 9.594 3.407 1.00 0.00 H new ATOM 448 N VAL A 96 0.682 7.018 1.905 1.00 0.00 N ATOM 449 CA VAL A 96 -0.520 6.349 2.396 1.00 0.00 C ATOM 450 C VAL A 96 -1.565 7.369 2.853 1.00 0.00 C ATOM 451 O VAL A 96 -1.227 8.382 3.466 1.00 0.00 O ATOM 452 CB VAL A 96 -0.158 5.405 3.555 1.00 0.00 C ATOM 453 CG1 VAL A 96 -1.399 4.745 4.133 1.00 0.00 C ATOM 454 CG2 VAL A 96 0.853 4.366 3.083 1.00 0.00 C ATOM 0 H VAL A 96 1.552 6.550 2.158 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.948 5.767 1.580 1.00 0.00 H new ATOM 0 HB VAL A 96 0.297 5.992 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.112 4.083 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.078 5.511 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.899 4.166 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.104 3.701 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.423 3.784 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.755 4.868 2.734 1.00 0.00 H new ATOM 464 N ALA A 97 -2.830 7.117 2.523 1.00 0.00 N ATOM 465 CA ALA A 97 -3.903 8.040 2.875 1.00 0.00 C ATOM 466 C ALA A 97 -4.961 7.405 3.771 1.00 0.00 C ATOM 467 O ALA A 97 -4.988 7.642 4.977 1.00 0.00 O ATOM 468 CB ALA A 97 -4.552 8.579 1.610 1.00 0.00 C ATOM 0 H ALA A 97 -3.134 6.286 2.015 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.452 8.853 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.353 9.268 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.806 9.104 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.963 7.752 1.031 1.00 0.00 H new ATOM 474 N ARG A 98 -5.855 6.625 3.173 1.00 0.00 N ATOM 475 CA ARG A 98 -6.933 5.995 3.924 1.00 0.00 C ATOM 476 C ARG A 98 -6.783 4.479 3.980 1.00 0.00 C ATOM 477 O ARG A 98 -5.989 3.890 3.246 1.00 0.00 O ATOM 478 CB ARG A 98 -8.284 6.358 3.302 1.00 0.00 C ATOM 479 CG ARG A 98 -8.290 6.307 1.780 1.00 0.00 C ATOM 480 CD ARG A 98 -9.633 6.737 1.211 1.00 0.00 C ATOM 481 NE ARG A 98 -10.118 5.806 0.193 1.00 0.00 N ATOM 482 CZ ARG A 98 -11.386 5.737 -0.204 1.00 0.00 C ATOM 483 NH1 ARG A 98 -12.300 6.541 0.326 1.00 0.00 N ATOM 484 NH2 ARG A 98 -11.742 4.862 -1.135 1.00 0.00 N ATOM 0 H ARG A 98 -5.854 6.415 2.175 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.882 6.370 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.044 5.676 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.565 7.361 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.505 6.955 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.061 5.294 1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.363 6.806 2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.541 7.733 0.778 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.445 5.172 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.032 7.216 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.270 6.483 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.044 4.242 -1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.714 4.809 -1.440 1.00 0.00 H new ATOM 498 N ILE A 99 -7.563 3.859 4.860 1.00 0.00 N ATOM 499 CA ILE A 99 -7.546 2.414 5.032 1.00 0.00 C ATOM 500 C ILE A 99 -8.917 1.911 5.474 1.00 0.00 C ATOM 501 O ILE A 99 -9.465 2.370 6.476 1.00 0.00 O ATOM 502 CB ILE A 99 -6.476 1.980 6.065 1.00 0.00 C ATOM 503 CG1 ILE A 99 -5.083 2.011 5.434 1.00 0.00 C ATOM 504 CG2 ILE A 99 -6.777 0.591 6.614 1.00 0.00 C ATOM 505 CD1 ILE A 99 -4.212 3.138 5.944 1.00 0.00 C ATOM 0 H ILE A 99 -8.221 4.343 5.471 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.293 1.973 4.068 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.502 2.686 6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.584 1.061 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.185 2.103 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.010 0.311 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.751 0.596 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.785 -0.130 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.240 3.097 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.689 4.094 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.079 3.036 7.021 1.00 0.00 H new ATOM 517 N LEU A 100 -9.463 0.964 4.720 1.00 0.00 N ATOM 518 CA LEU A 100 -10.767 0.395 5.032 1.00 0.00 C ATOM 519 C LEU A 100 -10.773 -0.209 6.435 1.00 0.00 C ATOM 520 O LEU A 100 -9.983 -1.103 6.739 1.00 0.00 O ATOM 521 CB LEU A 100 -11.137 -0.667 3.989 1.00 0.00 C ATOM 522 CG LEU A 100 -12.196 -1.681 4.427 1.00 0.00 C ATOM 523 CD1 LEU A 100 -12.936 -2.233 3.218 1.00 0.00 C ATOM 524 CD2 LEU A 100 -11.553 -2.808 5.223 1.00 0.00 C ATOM 0 H LEU A 100 -9.022 0.574 3.887 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.510 1.192 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.493 -0.161 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.233 -1.209 3.712 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.918 -1.175 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.685 -2.953 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.426 -1.417 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.228 -2.726 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.319 -3.521 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.812 -3.314 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.067 -2.397 6.108 1.00 0.00 H new ATOM 585 N ILE A 105 -5.667 -4.124 6.792 1.00 0.00 N ATOM 586 CA ILE A 105 -4.639 -3.119 7.034 1.00 0.00 C ATOM 587 C ILE A 105 -4.838 -2.453 8.390 1.00 0.00 C ATOM 588 O ILE A 105 -3.969 -2.523 9.259 1.00 0.00 O ATOM 589 CB ILE A 105 -4.634 -2.040 5.936 1.00 0.00 C ATOM 590 CG1 ILE A 105 -4.520 -2.689 4.555 1.00 0.00 C ATOM 591 CG2 ILE A 105 -3.491 -1.063 6.162 1.00 0.00 C ATOM 592 CD1 ILE A 105 -3.213 -3.419 4.340 1.00 0.00 C ATOM 0 HA ILE A 105 -3.680 -3.636 7.022 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.573 -1.489 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.345 -3.389 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.628 -1.920 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.499 -0.306 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.610 -0.582 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.543 -1.600 6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.200 -3.855 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.384 -2.719 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.112 -4.211 5.082 1.00 0.00 H new ATOM 604 N HIS A 106 -5.989 -1.810 8.568 1.00 0.00 N ATOM 605 CA HIS A 106 -6.306 -1.136 9.825 1.00 0.00 C ATOM 606 C HIS A 106 -5.991 -2.031 11.020 1.00 0.00 C ATOM 607 O HIS A 106 -5.609 -1.551 12.087 1.00 0.00 O ATOM 608 CB HIS A 106 -7.783 -0.735 9.853 1.00 0.00 C ATOM 609 CG HIS A 106 -8.106 0.286 10.898 1.00 0.00 C ATOM 610 ND1 HIS A 106 -8.606 -0.040 12.141 1.00 0.00 N ATOM 611 CD2 HIS A 106 -7.996 1.635 10.882 1.00 0.00 C ATOM 612 CE1 HIS A 106 -8.790 1.063 12.844 1.00 0.00 C ATOM 613 NE2 HIS A 106 -8.427 2.094 12.103 1.00 0.00 N ATOM 0 H HIS A 106 -6.718 -1.741 7.858 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.689 -0.240 9.892 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -8.063 -0.343 8.875 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -8.389 -1.624 10.026 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -7.636 2.238 10.062 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.172 1.113 13.853 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.461 3.072 12.390 1.00 0.00 H new ATOM 622 N ARG A 107 -6.150 -3.337 10.828 1.00 0.00 N ATOM 623 CA ARG A 107 -5.879 -4.307 11.883 1.00 0.00 C ATOM 624 C ARG A 107 -4.409 -4.716 11.884 1.00 0.00 C ATOM 625 O ARG A 107 -3.863 -5.103 12.917 1.00 0.00 O ATOM 626 CB ARG A 107 -6.764 -5.542 11.708 1.00 0.00 C ATOM 627 CG ARG A 107 -7.218 -6.157 13.022 1.00 0.00 C ATOM 628 CD ARG A 107 -7.310 -7.673 12.931 1.00 0.00 C ATOM 629 NE ARG A 107 -8.657 -8.157 13.221 1.00 0.00 N ATOM 630 CZ ARG A 107 -8.937 -9.415 13.556 1.00 0.00 C ATOM 631 NH1 ARG A 107 -7.967 -10.318 13.644 1.00 0.00 N ATOM 632 NH2 ARG A 107 -10.190 -9.772 13.804 1.00 0.00 N ATOM 0 H ARG A 107 -6.466 -3.748 9.950 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.106 -3.838 12.840 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.642 -5.270 11.122 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.218 -6.292 11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.521 -5.881 13.813 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.190 -5.749 13.298 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.016 -7.995 11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.605 -8.122 13.631 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.429 -7.492 13.164 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.001 -10.049 13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.188 -11.280 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.939 -9.083 13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.404 -10.736 14.061 1.00 0.00 H new ATOM 646 N GLN A 108 -3.773 -4.629 10.715 1.00 0.00 N ATOM 647 CA GLN A 108 -2.363 -4.990 10.572 1.00 0.00 C ATOM 648 C GLN A 108 -1.524 -4.413 11.710 1.00 0.00 C ATOM 649 O GLN A 108 -0.699 -5.110 12.301 1.00 0.00 O ATOM 650 CB GLN A 108 -1.824 -4.495 9.227 1.00 0.00 C ATOM 651 CG GLN A 108 -0.831 -5.448 8.583 1.00 0.00 C ATOM 652 CD GLN A 108 -1.504 -6.486 7.706 1.00 0.00 C ATOM 653 OE1 GLN A 108 -1.967 -7.519 8.190 1.00 0.00 O ATOM 654 NE2 GLN A 108 -1.561 -6.216 6.408 1.00 0.00 N ATOM 0 H GLN A 108 -4.214 -4.311 9.852 1.00 0.00 H new ATOM 0 HA GLN A 108 -2.291 -6.077 10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -2.660 -4.339 8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -1.345 -3.527 9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.121 -4.877 7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.259 -5.952 9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.164 -5.347 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.002 -6.877 5.768 1.00 0.00 H new ATOM 663 N GLY A 109 -1.740 -3.136 12.013 1.00 0.00 N ATOM 664 CA GLY A 109 -0.997 -2.491 13.079 1.00 0.00 C ATOM 665 C GLY A 109 0.327 -1.924 12.604 1.00 0.00 C ATOM 666 O GLY A 109 0.622 -0.749 12.825 1.00 0.00 O ATOM 0 H GLY A 109 -2.416 -2.537 11.539 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.600 -1.689 13.504 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.815 -3.210 13.877 1.00 0.00 H new ATOM 670 N SER A 110 1.128 -2.761 11.952 1.00 0.00 N ATOM 671 CA SER A 110 2.429 -2.338 11.445 1.00 0.00 C ATOM 672 C SER A 110 2.298 -1.112 10.547 1.00 0.00 C ATOM 673 O SER A 110 3.236 -0.325 10.415 1.00 0.00 O ATOM 674 CB SER A 110 3.093 -3.480 10.674 1.00 0.00 C ATOM 675 OG SER A 110 4.437 -3.165 10.351 1.00 0.00 O ATOM 0 H SER A 110 0.899 -3.737 11.762 1.00 0.00 H new ATOM 0 HA SER A 110 3.052 -2.071 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.063 -4.391 11.271 1.00 0.00 H new ATOM 0 HB3 SER A 110 2.533 -3.679 9.760 1.00 0.00 H new ATOM 0 HG SER A 110 4.638 -3.480 9.445 1.00 0.00 H new ATOM 681 N LEU A 111 1.131 -0.955 9.930 1.00 0.00 N ATOM 682 CA LEU A 111 0.883 0.178 9.046 1.00 0.00 C ATOM 683 C LEU A 111 0.762 1.473 9.838 1.00 0.00 C ATOM 684 O LEU A 111 0.594 1.456 11.057 1.00 0.00 O ATOM 685 CB LEU A 111 -0.388 -0.052 8.223 1.00 0.00 C ATOM 686 CG LEU A 111 -0.174 -0.141 6.710 1.00 0.00 C ATOM 687 CD1 LEU A 111 0.099 1.237 6.127 1.00 0.00 C ATOM 688 CD2 LEU A 111 0.967 -1.094 6.384 1.00 0.00 C ATOM 0 H LEU A 111 0.344 -1.597 10.026 1.00 0.00 H new ATOM 0 HA LEU A 111 1.733 0.266 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.860 -0.974 8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.087 0.759 8.428 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.086 -0.531 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.249 1.154 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.750 1.891 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.995 1.656 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.103 -1.143 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.885 -0.735 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.731 -2.088 6.765 1.00 0.00 H new ATOM 700 N HIS A 112 0.844 2.594 9.133 1.00 0.00 N ATOM 701 CA HIS A 112 0.741 3.904 9.760 1.00 0.00 C ATOM 702 C HIS A 112 0.457 4.978 8.719 1.00 0.00 C ATOM 703 O HIS A 112 1.370 5.480 8.062 1.00 0.00 O ATOM 704 CB HIS A 112 2.030 4.231 10.520 1.00 0.00 C ATOM 705 CG HIS A 112 1.930 3.999 11.995 1.00 0.00 C ATOM 706 ND1 HIS A 112 2.201 2.900 12.740 1.00 0.00 N flip ATOM 707 CD2 HIS A 112 1.507 4.966 12.883 1.00 0.00 C flip ATOM 708 CE1 HIS A 112 1.940 3.223 14.050 1.00 0.00 C flip ATOM 709 NE2 HIS A 112 1.524 4.474 14.109 1.00 0.00 N flip ATOM 0 H HIS A 112 0.982 2.621 8.123 1.00 0.00 H new ATOM 0 HA HIS A 112 -0.089 3.882 10.467 1.00 0.00 H new ATOM 0 HB2 HIS A 112 2.842 3.624 10.119 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.293 5.274 10.341 1.00 0.00 H new ATOM 0 HD2 HIS A 112 1.208 5.969 12.617 1.00 0.00 H new ATOM 0 HE1 HIS A 112 2.057 2.560 14.895 1.00 0.00 H new ATOM 0 HE2 HIS A 112 1.260 4.976 14.957 1.00 0.00 H new ATOM 718 N VAL A 113 -0.820 5.325 8.571 1.00 0.00 N ATOM 719 CA VAL A 113 -1.241 6.340 7.610 1.00 0.00 C ATOM 720 C VAL A 113 -0.330 7.559 7.652 1.00 0.00 C ATOM 721 O VAL A 113 -0.120 8.161 8.707 1.00 0.00 O ATOM 722 CB VAL A 113 -2.696 6.777 7.870 1.00 0.00 C ATOM 723 CG1 VAL A 113 -3.123 7.854 6.884 1.00 0.00 C ATOM 724 CG2 VAL A 113 -3.631 5.577 7.799 1.00 0.00 C ATOM 0 H VAL A 113 -1.584 4.915 9.108 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.175 5.889 6.620 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.753 7.199 8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.153 8.146 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.472 8.722 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.050 7.467 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.655 5.902 7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.568 5.125 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.341 4.844 8.552 1.00 0.00 H new ATOM 734 N GLY A 114 0.212 7.908 6.494 1.00 0.00 N ATOM 735 CA GLY A 114 1.104 9.044 6.402 1.00 0.00 C ATOM 736 C GLY A 114 2.510 8.640 6.008 1.00 0.00 C ATOM 737 O GLY A 114 3.306 9.476 5.581 1.00 0.00 O ATOM 0 H GLY A 114 0.048 7.421 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.713 9.752 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.132 9.560 7.362 1.00 0.00 H new ATOM 741 N ASP A 115 2.818 7.351 6.144 1.00 0.00 N ATOM 742 CA ASP A 115 4.136 6.845 5.789 1.00 0.00 C ATOM 743 C ASP A 115 4.387 7.036 4.297 1.00 0.00 C ATOM 744 O ASP A 115 3.630 7.729 3.619 1.00 0.00 O ATOM 745 CB ASP A 115 4.261 5.366 6.165 1.00 0.00 C ATOM 746 CG ASP A 115 3.322 4.481 5.372 1.00 0.00 C ATOM 747 OD1 ASP A 115 2.131 4.399 5.739 1.00 0.00 O ATOM 748 OD2 ASP A 115 3.777 3.868 4.382 1.00 0.00 O ATOM 0 H ASP A 115 2.173 6.643 6.496 1.00 0.00 H new ATOM 0 HA ASP A 115 4.886 7.406 6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 115 5.288 5.039 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.055 5.247 7.229 1.00 0.00 H new ATOM 753 N GLU A 116 5.446 6.420 3.788 1.00 0.00 N ATOM 754 CA GLU A 116 5.773 6.533 2.374 1.00 0.00 C ATOM 755 C GLU A 116 6.007 5.161 1.751 1.00 0.00 C ATOM 756 O GLU A 116 6.533 4.252 2.395 1.00 0.00 O ATOM 757 CB GLU A 116 7.001 7.432 2.175 1.00 0.00 C ATOM 758 CG GLU A 116 8.329 6.731 2.416 1.00 0.00 C ATOM 759 CD GLU A 116 9.218 7.484 3.387 1.00 0.00 C ATOM 760 OE1 GLU A 116 8.735 7.834 4.485 1.00 0.00 O ATOM 761 OE2 GLU A 116 10.396 7.724 3.050 1.00 0.00 O ATOM 0 H GLU A 116 6.089 5.841 4.329 1.00 0.00 H new ATOM 0 HA GLU A 116 4.922 6.990 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.989 7.825 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.926 8.286 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.142 5.729 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.851 6.614 1.467 1.00 0.00 H new ATOM 768 N ILE A 117 5.611 5.028 0.492 1.00 0.00 N ATOM 769 CA ILE A 117 5.768 3.781 -0.241 1.00 0.00 C ATOM 770 C ILE A 117 6.730 3.973 -1.414 1.00 0.00 C ATOM 771 O ILE A 117 6.708 5.007 -2.082 1.00 0.00 O ATOM 772 CB ILE A 117 4.402 3.265 -0.750 1.00 0.00 C ATOM 773 CG1 ILE A 117 3.540 2.819 0.431 1.00 0.00 C ATOM 774 CG2 ILE A 117 4.585 2.120 -1.740 1.00 0.00 C ATOM 775 CD1 ILE A 117 2.197 2.251 0.023 1.00 0.00 C ATOM 0 H ILE A 117 5.175 5.777 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 117 6.183 3.037 0.438 1.00 0.00 H new ATOM 0 HB ILE A 117 3.897 4.079 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.084 2.067 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.379 3.669 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.609 1.776 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.168 2.467 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.109 1.298 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.641 1.956 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.633 3.007 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.349 1.380 -0.615 1.00 0.00 H new ATOM 787 N LEU A 118 7.586 2.981 -1.648 1.00 0.00 N ATOM 788 CA LEU A 118 8.565 3.059 -2.728 1.00 0.00 C ATOM 789 C LEU A 118 8.282 2.038 -3.824 1.00 0.00 C ATOM 790 O LEU A 118 8.530 2.295 -5.002 1.00 0.00 O ATOM 791 CB LEU A 118 9.972 2.839 -2.172 1.00 0.00 C ATOM 792 CG LEU A 118 10.167 1.530 -1.405 1.00 0.00 C ATOM 793 CD1 LEU A 118 11.561 0.972 -1.647 1.00 0.00 C ATOM 794 CD2 LEU A 118 9.928 1.747 0.081 1.00 0.00 C ATOM 0 H LEU A 118 7.621 2.117 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 118 8.492 4.053 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 118 10.682 2.867 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.219 3.670 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 118 9.440 0.804 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.681 0.041 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.697 0.781 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.305 1.693 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.070 0.807 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.633 2.488 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.909 2.102 0.238 1.00 0.00 H new ATOM 806 N GLU A 119 7.764 0.881 -3.433 1.00 0.00 N ATOM 807 CA GLU A 119 7.453 -0.172 -4.384 1.00 0.00 C ATOM 808 C GLU A 119 6.600 -1.248 -3.735 1.00 0.00 C ATOM 809 O GLU A 119 6.847 -1.663 -2.603 1.00 0.00 O ATOM 810 CB GLU A 119 8.733 -0.790 -4.942 1.00 0.00 C ATOM 811 CG GLU A 119 9.627 -1.404 -3.878 1.00 0.00 C ATOM 812 CD GLU A 119 11.092 -1.393 -4.270 1.00 0.00 C ATOM 813 OE1 GLU A 119 11.480 -0.538 -5.093 1.00 0.00 O ATOM 814 OE2 GLU A 119 11.850 -2.241 -3.754 1.00 0.00 O ATOM 0 H GLU A 119 7.551 0.650 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 119 6.891 0.273 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.469 -1.557 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.293 -0.023 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.501 -0.858 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.312 -2.431 -3.692 1.00 0.00 H new ATOM 821 N ILE A 120 5.595 -1.690 -4.467 1.00 0.00 N ATOM 822 CA ILE A 120 4.685 -2.725 -3.979 1.00 0.00 C ATOM 823 C ILE A 120 4.752 -3.983 -4.834 1.00 0.00 C ATOM 824 O ILE A 120 4.971 -3.924 -6.041 1.00 0.00 O ATOM 825 CB ILE A 120 3.219 -2.229 -3.893 1.00 0.00 C ATOM 826 CG1 ILE A 120 2.439 -2.509 -5.187 1.00 0.00 C ATOM 827 CG2 ILE A 120 3.178 -0.751 -3.556 1.00 0.00 C ATOM 828 CD1 ILE A 120 3.088 -1.963 -6.437 1.00 0.00 C ATOM 0 H ILE A 120 5.383 -1.351 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 120 5.020 -2.967 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 120 2.732 -2.788 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.316 -3.586 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.440 -2.082 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.141 -0.419 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.665 -0.583 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.698 -0.187 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.472 -2.205 -7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 120 3.186 -0.881 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 120 4.075 -2.408 -6.559 1.00 0.00 H new ATOM 840 N ASN A 121 4.556 -5.122 -4.188 1.00 0.00 N ATOM 841 CA ASN A 121 4.587 -6.416 -4.870 1.00 0.00 C ATOM 842 C ASN A 121 5.745 -6.505 -5.865 1.00 0.00 C ATOM 843 O ASN A 121 5.654 -7.205 -6.872 1.00 0.00 O ATOM 844 CB ASN A 121 3.263 -6.665 -5.595 1.00 0.00 C ATOM 845 CG ASN A 121 2.757 -8.081 -5.401 1.00 0.00 C ATOM 846 OD1 ASN A 121 1.877 -8.522 -6.291 1.00 0.00 O flip ATOM 847 ND2 ASN A 121 3.154 -8.771 -4.462 1.00 0.00 N flip ATOM 0 H ASN A 121 4.372 -5.181 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 121 4.736 -7.182 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.514 -5.961 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 121 3.392 -6.471 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.832 -8.391 -3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.805 -9.722 -4.345 1.00 0.00 H new ATOM 854 N GLY A 122 6.831 -5.791 -5.578 1.00 0.00 N ATOM 855 CA GLY A 122 7.982 -5.811 -6.464 1.00 0.00 C ATOM 856 C GLY A 122 7.819 -4.888 -7.657 1.00 0.00 C ATOM 857 O GLY A 122 8.373 -5.142 -8.726 1.00 0.00 O ATOM 0 H GLY A 122 6.934 -5.202 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.871 -5.521 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 122 8.146 -6.829 -6.817 1.00 0.00 H new ATOM 861 N THR A 123 7.055 -3.816 -7.474 1.00 0.00 N ATOM 862 CA THR A 123 6.817 -2.850 -8.543 1.00 0.00 C ATOM 863 C THR A 123 7.325 -1.469 -8.143 1.00 0.00 C ATOM 864 O THR A 123 6.891 -0.904 -7.138 1.00 0.00 O ATOM 865 CB THR A 123 5.319 -2.788 -8.886 1.00 0.00 C ATOM 866 OG1 THR A 123 4.986 -3.784 -9.836 1.00 0.00 O ATOM 867 CG2 THR A 123 4.868 -1.452 -9.451 1.00 0.00 C ATOM 0 H THR A 123 6.589 -3.593 -6.594 1.00 0.00 H new ATOM 0 HA THR A 123 7.365 -3.176 -9.427 1.00 0.00 H new ATOM 0 HB THR A 123 4.807 -2.945 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.029 -3.732 -10.042 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.800 -1.490 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 123 5.063 -0.665 -8.723 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.416 -1.242 -10.369 1.00 0.00 H new ATOM 875 N ASN A 124 8.236 -0.927 -8.944 1.00 0.00 N ATOM 876 CA ASN A 124 8.789 0.393 -8.681 1.00 0.00 C ATOM 877 C ASN A 124 7.704 1.453 -8.807 1.00 0.00 C ATOM 878 O ASN A 124 7.548 2.075 -9.857 1.00 0.00 O ATOM 879 CB ASN A 124 9.935 0.694 -9.649 1.00 0.00 C ATOM 880 CG ASN A 124 11.219 -0.012 -9.264 1.00 0.00 C ATOM 881 OD1 ASN A 124 11.527 -1.088 -9.774 1.00 0.00 O ATOM 882 ND2 ASN A 124 11.978 0.594 -8.358 1.00 0.00 N ATOM 0 H ASN A 124 8.605 -1.382 -9.779 1.00 0.00 H new ATOM 0 HA ASN A 124 9.179 0.409 -7.663 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.645 0.392 -10.655 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.110 1.770 -9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.855 0.167 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.684 1.486 -7.961 1.00 0.00 H new ATOM 889 N VAL A 125 6.950 1.649 -7.730 1.00 0.00 N ATOM 890 CA VAL A 125 5.874 2.625 -7.717 1.00 0.00 C ATOM 891 C VAL A 125 6.410 4.054 -7.719 1.00 0.00 C ATOM 892 O VAL A 125 5.644 5.012 -7.821 1.00 0.00 O ATOM 893 CB VAL A 125 4.955 2.419 -6.500 1.00 0.00 C ATOM 894 CG1 VAL A 125 4.563 0.958 -6.371 1.00 0.00 C ATOM 895 CG2 VAL A 125 5.622 2.911 -5.230 1.00 0.00 C ATOM 0 H VAL A 125 7.068 1.141 -6.853 1.00 0.00 H new ATOM 0 HA VAL A 125 5.296 2.472 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 125 4.049 3.005 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.913 0.831 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.035 0.642 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.459 0.351 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.953 2.755 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.548 2.359 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 125 5.845 3.974 -5.325 1.00 0.00 H new ATOM 905 N THR A 126 7.727 4.192 -7.600 1.00 0.00 N ATOM 906 CA THR A 126 8.353 5.504 -7.582 1.00 0.00 C ATOM 907 C THR A 126 8.621 6.015 -8.999 1.00 0.00 C ATOM 908 O THR A 126 9.666 6.610 -9.265 1.00 0.00 O ATOM 909 CB THR A 126 9.659 5.458 -6.788 1.00 0.00 C ATOM 910 OG1 THR A 126 10.575 4.555 -7.381 1.00 0.00 O ATOM 911 CG2 THR A 126 9.468 5.038 -5.346 1.00 0.00 C ATOM 0 H THR A 126 8.378 3.411 -7.515 1.00 0.00 H new ATOM 0 HA THR A 126 7.662 6.195 -7.098 1.00 0.00 H new ATOM 0 HB THR A 126 10.043 6.478 -6.805 1.00 0.00 H new ATOM 0 HG1 THR A 126 11.405 4.541 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 126 10.433 5.026 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 126 8.805 5.744 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A 126 9.028 4.041 -5.313 1.00 0.00 H new ATOM 919 N ASN A 127 7.675 5.782 -9.906 1.00 0.00 N ATOM 920 CA ASN A 127 7.815 6.222 -11.289 1.00 0.00 C ATOM 921 C ASN A 127 6.449 6.379 -11.950 1.00 0.00 C ATOM 922 O ASN A 127 6.162 7.402 -12.571 1.00 0.00 O ATOM 923 CB ASN A 127 8.665 5.225 -12.080 1.00 0.00 C ATOM 924 CG ASN A 127 10.022 4.989 -11.446 1.00 0.00 C ATOM 925 OD1 ASN A 127 10.087 4.035 -10.525 1.00 0.00 O flip ATOM 926 ND2 ASN A 127 11.001 5.656 -11.781 1.00 0.00 N flip ATOM 0 H ASN A 127 6.804 5.291 -9.706 1.00 0.00 H new ATOM 0 HA ASN A 127 8.312 7.192 -11.287 1.00 0.00 H new ATOM 0 HB2 ASN A 127 8.132 4.277 -12.154 1.00 0.00 H new ATOM 0 HB3 ASN A 127 8.802 5.595 -13.096 1.00 0.00 H new ATOM 0 HD21 ASN A 127 10.906 6.380 -12.494 1.00 0.00 H new ATOM 0 HD22 ASN A 127 11.908 5.485 -11.346 1.00 0.00 H new ATOM 933 N HIS A 128 5.608 5.357 -11.809 1.00 0.00 N ATOM 934 CA HIS A 128 4.268 5.380 -12.390 1.00 0.00 C ATOM 935 C HIS A 128 3.277 6.030 -11.433 1.00 0.00 C ATOM 936 O HIS A 128 3.498 6.055 -10.222 1.00 0.00 O ATOM 937 CB HIS A 128 3.797 3.958 -12.720 1.00 0.00 C ATOM 938 CG HIS A 128 4.910 2.994 -12.994 1.00 0.00 C ATOM 939 ND1 HIS A 128 5.335 1.914 -12.299 1.00 0.00 N flip ATOM 940 CD2 HIS A 128 5.732 3.085 -14.097 1.00 0.00 C flip ATOM 941 CE1 HIS A 128 6.395 1.378 -12.987 1.00 0.00 C flip ATOM 942 NE2 HIS A 128 6.614 2.102 -14.068 1.00 0.00 N flip ATOM 0 H HIS A 128 5.831 4.503 -11.298 1.00 0.00 H new ATOM 0 HA HIS A 128 4.314 5.965 -13.309 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.201 3.582 -11.888 1.00 0.00 H new ATOM 0 HB3 HIS A 128 3.141 3.996 -13.590 1.00 0.00 H new ATOM 0 HD2 HIS A 128 5.665 3.842 -14.865 1.00 0.00 H new ATOM 0 HE1 HIS A 128 6.958 0.505 -12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 128 7.341 1.932 -14.763 1.00 0.00 H new ATOM 951 N SER A 129 2.177 6.542 -11.976 1.00 0.00 N ATOM 952 CA SER A 129 1.154 7.174 -11.153 1.00 0.00 C ATOM 953 C SER A 129 0.592 6.172 -10.161 1.00 0.00 C ATOM 954 O SER A 129 0.583 4.972 -10.421 1.00 0.00 O ATOM 955 CB SER A 129 0.019 7.717 -12.011 1.00 0.00 C ATOM 956 OG SER A 129 0.514 8.390 -13.157 1.00 0.00 O ATOM 0 H SER A 129 1.973 6.532 -12.975 1.00 0.00 H new ATOM 0 HA SER A 129 1.619 8.003 -10.619 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.630 6.897 -12.320 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.591 8.401 -11.420 1.00 0.00 H new ATOM 0 HG SER A 129 -0.237 8.726 -13.689 1.00 0.00 H new ATOM 962 N VAL A 130 0.123 6.665 -9.027 1.00 0.00 N ATOM 963 CA VAL A 130 -0.432 5.795 -8.005 1.00 0.00 C ATOM 964 C VAL A 130 -1.578 4.952 -8.553 1.00 0.00 C ATOM 965 O VAL A 130 -1.705 3.779 -8.212 1.00 0.00 O ATOM 966 CB VAL A 130 -0.906 6.595 -6.780 1.00 0.00 C ATOM 967 CG1 VAL A 130 -1.909 7.661 -7.190 1.00 0.00 C ATOM 968 CG2 VAL A 130 -1.496 5.676 -5.716 1.00 0.00 C ATOM 0 H VAL A 130 0.115 7.658 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 130 0.369 5.126 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.037 7.091 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -2.232 8.215 -6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.443 8.346 -7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -2.773 7.188 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.822 6.270 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -2.349 5.139 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -0.739 4.961 -5.393 1.00 0.00 H new ATOM 978 N ASP A 131 -2.402 5.545 -9.407 1.00 0.00 N ATOM 979 CA ASP A 131 -3.521 4.820 -9.998 1.00 0.00 C ATOM 980 C ASP A 131 -3.011 3.616 -10.780 1.00 0.00 C ATOM 981 O ASP A 131 -3.655 2.566 -10.822 1.00 0.00 O ATOM 982 CB ASP A 131 -4.330 5.739 -10.915 1.00 0.00 C ATOM 983 CG ASP A 131 -5.571 5.061 -11.463 1.00 0.00 C ATOM 984 OD1 ASP A 131 -6.178 4.253 -10.730 1.00 0.00 O ATOM 985 OD2 ASP A 131 -5.935 5.339 -12.626 1.00 0.00 O ATOM 0 H ASP A 131 -2.319 6.517 -9.704 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.171 4.471 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.621 6.633 -10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.702 6.066 -11.744 1.00 0.00 H new ATOM 990 N GLN A 132 -1.841 3.777 -11.390 1.00 0.00 N ATOM 991 CA GLN A 132 -1.228 2.709 -12.166 1.00 0.00 C ATOM 992 C GLN A 132 -0.843 1.541 -11.267 1.00 0.00 C ATOM 993 O GLN A 132 -0.987 0.381 -11.650 1.00 0.00 O ATOM 994 CB GLN A 132 0.012 3.227 -12.897 1.00 0.00 C ATOM 995 CG GLN A 132 -0.279 4.366 -13.859 1.00 0.00 C ATOM 996 CD GLN A 132 0.516 4.261 -15.146 1.00 0.00 C ATOM 997 OE1 GLN A 132 0.442 3.257 -15.854 1.00 0.00 O ATOM 998 NE2 GLN A 132 1.282 5.300 -15.454 1.00 0.00 N ATOM 0 H GLN A 132 -1.298 4.640 -11.361 1.00 0.00 H new ATOM 0 HA GLN A 132 -1.957 2.362 -12.899 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.743 3.562 -12.161 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.468 2.405 -13.448 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.343 4.375 -14.094 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -0.052 5.314 -13.372 1.00 0.00 H new ATOM 0 HE21 GLN A 132 1.312 6.112 -14.837 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.840 5.287 -16.308 1.00 0.00 H new ATOM 1007 N LEU A 133 -0.348 1.852 -10.072 1.00 0.00 N ATOM 1008 CA LEU A 133 0.062 0.816 -9.132 1.00 0.00 C ATOM 1009 C LEU A 133 -1.137 0.219 -8.414 1.00 0.00 C ATOM 1010 O LEU A 133 -1.225 -0.995 -8.252 1.00 0.00 O ATOM 1011 CB LEU A 133 1.047 1.364 -8.111 1.00 0.00 C ATOM 1012 CG LEU A 133 2.377 1.820 -8.682 1.00 0.00 C ATOM 1013 CD1 LEU A 133 2.927 0.810 -9.678 1.00 0.00 C ATOM 1014 CD2 LEU A 133 2.200 3.168 -9.326 1.00 0.00 C ATOM 0 H LEU A 133 -0.222 2.806 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 133 0.551 0.031 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.583 2.205 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 133 1.235 0.595 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 133 3.102 1.898 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.880 1.166 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.074 -0.149 -9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.221 0.688 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.152 3.502 -9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.463 3.095 -10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.856 3.885 -8.581 1.00 0.00 H new ATOM 1026 N GLN A 134 -2.066 1.077 -7.988 1.00 0.00 N ATOM 1027 CA GLN A 134 -3.265 0.614 -7.297 1.00 0.00 C ATOM 1028 C GLN A 134 -3.862 -0.559 -8.062 1.00 0.00 C ATOM 1029 O GLN A 134 -4.107 -1.632 -7.502 1.00 0.00 O ATOM 1030 CB GLN A 134 -4.287 1.748 -7.173 1.00 0.00 C ATOM 1031 CG GLN A 134 -3.979 2.727 -6.047 1.00 0.00 C ATOM 1032 CD GLN A 134 -4.797 4.000 -6.143 1.00 0.00 C ATOM 1033 OE1 GLN A 134 -5.203 4.411 -7.230 1.00 0.00 O ATOM 1034 NE2 GLN A 134 -5.043 4.632 -5.002 1.00 0.00 N ATOM 0 H GLN A 134 -2.010 2.088 -8.109 1.00 0.00 H new ATOM 0 HA GLN A 134 -2.998 0.291 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.328 2.293 -8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.275 1.319 -7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.173 2.246 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.919 2.978 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -4.687 4.256 -4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.588 5.494 -5.004 1.00 0.00 H new ATOM 1043 N LYS A 135 -4.046 -0.361 -9.363 1.00 0.00 N ATOM 1044 CA LYS A 135 -4.559 -1.417 -10.212 1.00 0.00 C ATOM 1045 C LYS A 135 -3.486 -2.491 -10.368 1.00 0.00 C ATOM 1046 O LYS A 135 -3.792 -3.680 -10.464 1.00 0.00 O ATOM 1047 CB LYS A 135 -4.971 -0.864 -11.576 1.00 0.00 C ATOM 1048 CG LYS A 135 -5.394 -1.940 -12.559 1.00 0.00 C ATOM 1049 CD LYS A 135 -4.256 -2.303 -13.496 1.00 0.00 C ATOM 1050 CE LYS A 135 -4.762 -2.605 -14.898 1.00 0.00 C ATOM 1051 NZ LYS A 135 -5.271 -1.383 -15.581 1.00 0.00 N ATOM 0 H LYS A 135 -3.848 0.516 -9.845 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.446 -1.853 -9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -5.793 -0.161 -11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.138 -0.303 -11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -5.718 -2.827 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -6.249 -1.592 -13.138 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.540 -1.482 -13.536 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -3.725 -3.171 -13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -3.956 -3.042 -15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -5.557 -3.349 -14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.271 -1.535 -16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.240 -1.184 -15.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -4.658 -0.575 -15.350 1.00 0.00 H new ATOM 1065 N ALA A 136 -2.221 -2.061 -10.361 1.00 0.00 N ATOM 1066 CA ALA A 136 -1.101 -2.987 -10.469 1.00 0.00 C ATOM 1067 C ALA A 136 -1.124 -3.971 -9.307 1.00 0.00 C ATOM 1068 O ALA A 136 -0.695 -5.118 -9.436 1.00 0.00 O ATOM 1069 CB ALA A 136 0.217 -2.230 -10.493 1.00 0.00 C ATOM 0 H ALA A 136 -1.952 -1.080 -10.282 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.196 -3.541 -11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.042 -2.938 -10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.233 -1.555 -11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 136 0.322 -1.654 -9.574 1.00 0.00 H new ATOM 1075 N MET A 137 -1.654 -3.517 -8.176 1.00 0.00 N ATOM 1076 CA MET A 137 -1.768 -4.356 -6.996 1.00 0.00 C ATOM 1077 C MET A 137 -2.843 -5.397 -7.249 1.00 0.00 C ATOM 1078 O MET A 137 -2.634 -6.593 -7.044 1.00 0.00 O ATOM 1079 CB MET A 137 -2.119 -3.517 -5.765 1.00 0.00 C ATOM 1080 CG MET A 137 -1.347 -2.211 -5.677 1.00 0.00 C ATOM 1081 SD MET A 137 -1.038 -1.699 -3.976 1.00 0.00 S ATOM 1082 CE MET A 137 -1.014 0.083 -4.160 1.00 0.00 C ATOM 0 H MET A 137 -2.011 -2.569 -8.055 1.00 0.00 H new ATOM 0 HA MET A 137 -0.813 -4.845 -6.802 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.187 -3.298 -5.778 1.00 0.00 H new ATOM 0 HB3 MET A 137 -1.925 -4.105 -4.868 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.396 -2.320 -6.198 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.904 -1.429 -6.192 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.466 0.527 -3.329 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.525 0.345 -5.098 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.036 0.462 -4.165 1.00 0.00 H new ATOM 1092 N LYS A 138 -3.988 -4.927 -7.735 1.00 0.00 N ATOM 1093 CA LYS A 138 -5.095 -5.811 -8.065 1.00 0.00 C ATOM 1094 C LYS A 138 -4.688 -6.738 -9.207 1.00 0.00 C ATOM 1095 O LYS A 138 -5.225 -7.835 -9.361 1.00 0.00 O ATOM 1096 CB LYS A 138 -6.326 -4.995 -8.468 1.00 0.00 C ATOM 1097 CG LYS A 138 -7.611 -5.807 -8.495 1.00 0.00 C ATOM 1098 CD LYS A 138 -8.524 -5.370 -9.627 1.00 0.00 C ATOM 1099 CE LYS A 138 -9.987 -5.573 -9.273 1.00 0.00 C ATOM 1100 NZ LYS A 138 -10.881 -4.677 -10.060 1.00 0.00 N ATOM 0 H LYS A 138 -4.171 -3.939 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 138 -5.345 -6.407 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.445 -4.165 -7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -6.158 -4.563 -9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -7.372 -6.864 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -8.132 -5.697 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.346 -4.319 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.285 -5.935 -10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -10.263 -6.612 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -10.132 -5.386 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.870 -4.848 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.635 -3.685 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.762 -4.872 -11.075 1.00 0.00 H new ATOM 1114 N GLU A 139 -3.722 -6.278 -10.001 1.00 0.00 N ATOM 1115 CA GLU A 139 -3.212 -7.040 -11.133 1.00 0.00 C ATOM 1116 C GLU A 139 -2.707 -8.411 -10.691 1.00 0.00 C ATOM 1117 O GLU A 139 -3.253 -9.443 -11.078 1.00 0.00 O ATOM 1118 CB GLU A 139 -2.077 -6.261 -11.803 1.00 0.00 C ATOM 1119 CG GLU A 139 -2.391 -5.831 -13.222 1.00 0.00 C ATOM 1120 CD GLU A 139 -1.204 -5.984 -14.154 1.00 0.00 C ATOM 1121 OE1 GLU A 139 -0.488 -7.001 -14.044 1.00 0.00 O ATOM 1122 OE2 GLU A 139 -0.990 -5.084 -14.995 1.00 0.00 O ATOM 0 H GLU A 139 -3.274 -5.370 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.026 -7.191 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.852 -5.377 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.179 -6.878 -11.810 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.224 -6.423 -13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.714 -4.790 -13.219 1.00 0.00 H new ATOM 1129 N THR A 140 -1.654 -8.405 -9.878 1.00 0.00 N ATOM 1130 CA THR A 140 -1.054 -9.637 -9.375 1.00 0.00 C ATOM 1131 C THR A 140 -2.095 -10.538 -8.717 1.00 0.00 C ATOM 1132 O THR A 140 -3.175 -10.083 -8.339 1.00 0.00 O ATOM 1133 CB THR A 140 0.061 -9.314 -8.378 1.00 0.00 C ATOM 1134 OG1 THR A 140 0.483 -7.969 -8.513 1.00 0.00 O ATOM 1135 CG2 THR A 140 1.281 -10.194 -8.542 1.00 0.00 C ATOM 0 H THR A 140 -1.196 -7.554 -9.552 1.00 0.00 H new ATOM 0 HA THR A 140 -0.634 -10.173 -10.226 1.00 0.00 H new ATOM 0 HB THR A 140 -0.371 -9.495 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 140 1.096 -7.744 -7.783 1.00 0.00 H new ATOM 0 HG21 THR A 140 2.034 -9.913 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 140 1.000 -11.237 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.689 -10.067 -9.545 1.00 0.00 H new ATOM 1143 N LYS A 141 -1.752 -11.822 -8.591 1.00 0.00 N ATOM 1144 CA LYS A 141 -2.631 -12.827 -7.983 1.00 0.00 C ATOM 1145 C LYS A 141 -3.530 -12.223 -6.903 1.00 0.00 C ATOM 1146 O LYS A 141 -4.723 -12.011 -7.121 1.00 0.00 O ATOM 1147 CB LYS A 141 -1.780 -13.959 -7.389 1.00 0.00 C ATOM 1148 CG LYS A 141 -2.542 -14.897 -6.463 1.00 0.00 C ATOM 1149 CD LYS A 141 -3.580 -15.708 -7.223 1.00 0.00 C ATOM 1150 CE LYS A 141 -3.735 -17.102 -6.636 1.00 0.00 C ATOM 1151 NZ LYS A 141 -5.153 -17.559 -6.661 1.00 0.00 N ATOM 0 H LYS A 141 -0.857 -12.196 -8.907 1.00 0.00 H new ATOM 0 HA LYS A 141 -3.282 -13.221 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.351 -14.542 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -0.947 -13.521 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.842 -15.571 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -3.032 -14.318 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -4.539 -15.191 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -3.289 -15.783 -8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -3.117 -17.803 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -3.370 -17.107 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -5.217 -18.513 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -5.739 -16.904 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -5.494 -17.579 -7.643 1.00 0.00 H new ATOM 1165 N GLY A 142 -2.949 -11.951 -5.740 1.00 0.00 N ATOM 1166 CA GLY A 142 -3.712 -11.379 -4.647 1.00 0.00 C ATOM 1167 C GLY A 142 -2.835 -10.942 -3.490 1.00 0.00 C ATOM 1168 O GLY A 142 -3.138 -9.962 -2.808 1.00 0.00 O ATOM 0 H GLY A 142 -1.964 -12.116 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.278 -10.522 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -4.437 -12.112 -4.292 1.00 0.00 H new ATOM 1172 N MET A 143 -1.746 -11.669 -3.267 1.00 0.00 N ATOM 1173 CA MET A 143 -0.821 -11.351 -2.187 1.00 0.00 C ATOM 1174 C MET A 143 0.130 -10.233 -2.605 1.00 0.00 C ATOM 1175 O MET A 143 0.940 -10.405 -3.516 1.00 0.00 O ATOM 1176 CB MET A 143 -0.022 -12.595 -1.784 1.00 0.00 C ATOM 1177 CG MET A 143 0.505 -13.393 -2.966 1.00 0.00 C ATOM 1178 SD MET A 143 1.778 -14.578 -2.492 1.00 0.00 S ATOM 1179 CE MET A 143 1.059 -16.106 -3.086 1.00 0.00 C ATOM 0 H MET A 143 -1.482 -12.484 -3.821 1.00 0.00 H new ATOM 0 HA MET A 143 -1.402 -11.012 -1.329 1.00 0.00 H new ATOM 0 HB2 MET A 143 0.818 -12.290 -1.160 1.00 0.00 H new ATOM 0 HB3 MET A 143 -0.654 -13.240 -1.174 1.00 0.00 H new ATOM 0 HG2 MET A 143 -0.322 -13.923 -3.439 1.00 0.00 H new ATOM 0 HG3 MET A 143 0.911 -12.708 -3.710 1.00 0.00 H new ATOM 0 HE1 MET A 143 1.732 -16.935 -2.865 1.00 0.00 H new ATOM 0 HE2 MET A 143 0.102 -16.274 -2.592 1.00 0.00 H new ATOM 0 HE3 MET A 143 0.905 -16.041 -4.163 1.00 0.00 H new ATOM 1189 N ILE A 144 0.025 -9.085 -1.940 1.00 0.00 N ATOM 1190 CA ILE A 144 0.877 -7.944 -2.257 1.00 0.00 C ATOM 1191 C ILE A 144 1.851 -7.638 -1.126 1.00 0.00 C ATOM 1192 O ILE A 144 1.531 -7.807 0.051 1.00 0.00 O ATOM 1193 CB ILE A 144 0.050 -6.679 -2.561 1.00 0.00 C ATOM 1194 CG1 ILE A 144 -0.992 -6.976 -3.636 1.00 0.00 C ATOM 1195 CG2 ILE A 144 0.958 -5.539 -3.000 1.00 0.00 C ATOM 1196 CD1 ILE A 144 -0.402 -7.548 -4.907 1.00 0.00 C ATOM 0 H ILE A 144 -0.638 -8.921 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 144 1.439 -8.224 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.466 -6.374 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -1.724 -7.678 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.528 -6.057 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.356 -4.655 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.669 -5.314 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.500 -5.831 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -1.199 -7.735 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 144 0.309 -6.838 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 144 0.110 -8.484 -4.682 1.00 0.00 H new ATOM 1208 N SER A 145 3.035 -7.177 -1.509 1.00 0.00 N ATOM 1209 CA SER A 145 4.087 -6.825 -0.561 1.00 0.00 C ATOM 1210 C SER A 145 4.550 -5.390 -0.802 1.00 0.00 C ATOM 1211 O SER A 145 5.350 -5.129 -1.701 1.00 0.00 O ATOM 1212 CB SER A 145 5.267 -7.788 -0.710 1.00 0.00 C ATOM 1213 OG SER A 145 5.503 -8.499 0.493 1.00 0.00 O ATOM 0 H SER A 145 3.294 -7.036 -2.485 1.00 0.00 H new ATOM 0 HA SER A 145 3.692 -6.903 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 145 5.066 -8.492 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 145 6.162 -7.231 -0.988 1.00 0.00 H new ATOM 0 HG SER A 145 6.261 -9.108 0.370 1.00 0.00 H new ATOM 1219 N LEU A 146 4.033 -4.461 -0.007 1.00 0.00 N ATOM 1220 CA LEU A 146 4.383 -3.051 -0.150 1.00 0.00 C ATOM 1221 C LEU A 146 5.551 -2.668 0.741 1.00 0.00 C ATOM 1222 O LEU A 146 5.571 -2.986 1.928 1.00 0.00 O ATOM 1223 CB LEU A 146 3.186 -2.164 0.189 1.00 0.00 C ATOM 1224 CG LEU A 146 1.895 -2.517 -0.549 1.00 0.00 C ATOM 1225 CD1 LEU A 146 0.868 -3.090 0.414 1.00 0.00 C ATOM 1226 CD2 LEU A 146 1.339 -1.293 -1.262 1.00 0.00 C ATOM 0 H LEU A 146 3.370 -4.657 0.743 1.00 0.00 H new ATOM 0 HA LEU A 146 4.674 -2.898 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.002 -2.222 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.444 -1.129 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 146 2.122 -3.277 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -0.044 -3.335 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 146 1.267 -3.992 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 146 0.643 -2.354 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.420 -1.561 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.128 -0.511 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 146 2.071 -0.928 -1.983 1.00 0.00 H new ATOM 1238 N LYS A 147 6.511 -1.958 0.161 1.00 0.00 N ATOM 1239 CA LYS A 147 7.676 -1.502 0.904 1.00 0.00 C ATOM 1240 C LYS A 147 7.445 -0.081 1.400 1.00 0.00 C ATOM 1241 O LYS A 147 7.283 0.844 0.604 1.00 0.00 O ATOM 1242 CB LYS A 147 8.932 -1.558 0.030 1.00 0.00 C ATOM 1243 CG LYS A 147 9.308 -2.966 -0.405 1.00 0.00 C ATOM 1244 CD LYS A 147 10.761 -3.288 -0.081 1.00 0.00 C ATOM 1245 CE LYS A 147 10.881 -4.555 0.751 1.00 0.00 C ATOM 1246 NZ LYS A 147 10.392 -5.752 0.014 1.00 0.00 N ATOM 0 H LYS A 147 6.504 -1.686 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 147 7.825 -2.162 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.776 -0.942 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.766 -1.121 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.657 -3.686 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.142 -3.072 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.324 -3.406 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 147 11.208 -2.453 0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 147 11.922 -4.705 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.312 -4.439 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 10.688 -6.614 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 9.354 -5.724 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 10.792 -5.756 -0.946 1.00 0.00 H new ATOM 1260 N VAL A 148 7.416 0.086 2.715 1.00 0.00 N ATOM 1261 CA VAL A 148 7.185 1.395 3.305 1.00 0.00 C ATOM 1262 C VAL A 148 8.274 1.744 4.313 1.00 0.00 C ATOM 1263 O VAL A 148 9.033 0.878 4.743 1.00 0.00 O ATOM 1264 CB VAL A 148 5.800 1.461 3.988 1.00 0.00 C ATOM 1265 CG1 VAL A 148 4.724 0.905 3.064 1.00 0.00 C ATOM 1266 CG2 VAL A 148 5.810 0.710 5.313 1.00 0.00 C ATOM 0 H VAL A 148 7.549 -0.666 3.391 1.00 0.00 H new ATOM 0 HA VAL A 148 7.212 2.124 2.495 1.00 0.00 H new ATOM 0 HB VAL A 148 5.572 2.507 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.755 0.959 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 148 4.694 1.491 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 148 4.952 -0.134 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.824 0.772 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.064 -0.335 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.550 1.156 5.978 1.00 0.00 H new ATOM 1276 N ILE A 149 8.344 3.015 4.684 1.00 0.00 N ATOM 1277 CA ILE A 149 9.344 3.470 5.640 1.00 0.00 C ATOM 1278 C ILE A 149 8.712 3.728 7.009 1.00 0.00 C ATOM 1279 O ILE A 149 7.599 4.244 7.102 1.00 0.00 O ATOM 1280 CB ILE A 149 10.058 4.747 5.131 1.00 0.00 C ATOM 1281 CG1 ILE A 149 11.320 4.363 4.357 1.00 0.00 C ATOM 1282 CG2 ILE A 149 10.402 5.691 6.277 1.00 0.00 C ATOM 1283 CD1 ILE A 149 11.124 4.343 2.857 1.00 0.00 C ATOM 0 H ILE A 149 7.723 3.747 4.339 1.00 0.00 H new ATOM 0 HA ILE A 149 10.087 2.679 5.745 1.00 0.00 H new ATOM 0 HB ILE A 149 9.375 5.275 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 149 12.116 5.067 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 149 11.653 3.378 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 149 10.902 6.576 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 149 9.488 5.989 6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 149 11.063 5.184 6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 149 12.059 4.063 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 149 10.351 3.619 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 149 10.821 5.333 2.516 1.00 0.00 H new ATOM 1295 N PRO A 150 9.422 3.369 8.094 1.00 0.00 N ATOM 1296 CA PRO A 150 8.928 3.565 9.459 1.00 0.00 C ATOM 1297 C PRO A 150 8.790 5.040 9.817 1.00 0.00 C ATOM 1298 O PRO A 150 9.667 5.848 9.513 1.00 0.00 O ATOM 1299 CB PRO A 150 9.997 2.903 10.333 1.00 0.00 C ATOM 1300 CG PRO A 150 11.228 2.899 9.495 1.00 0.00 C ATOM 1301 CD PRO A 150 10.760 2.748 8.076 1.00 0.00 C ATOM 0 HA PRO A 150 7.932 3.142 9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 150 10.151 3.458 11.258 1.00 0.00 H new ATOM 0 HB3 PRO A 150 9.707 1.891 10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 150 11.791 3.823 9.624 1.00 0.00 H new ATOM 0 HG3 PRO A 150 11.890 2.080 9.777 1.00 0.00 H new ATOM 0 HD2 PRO A 150 11.428 3.251 7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 150 10.714 1.701 7.777 1.00 0.00 H new ATOM 1309 N ASN A 151 7.684 5.380 10.465 1.00 0.00 N ATOM 1310 CA ASN A 151 7.427 6.757 10.868 1.00 0.00 C ATOM 1311 C ASN A 151 7.532 6.906 12.382 1.00 0.00 C ATOM 1312 O ASN A 151 6.521 6.951 13.083 1.00 0.00 O ATOM 1313 CB ASN A 151 6.042 7.206 10.390 1.00 0.00 C ATOM 1314 CG ASN A 151 5.012 6.094 10.442 1.00 0.00 C ATOM 1315 OD1 ASN A 151 4.148 6.070 11.319 1.00 0.00 O ATOM 1316 ND2 ASN A 151 5.103 5.163 9.499 1.00 0.00 N ATOM 0 H ASN A 151 6.950 4.721 10.723 1.00 0.00 H new ATOM 0 HA ASN A 151 8.182 7.392 10.404 1.00 0.00 H new ATOM 0 HB2 ASN A 151 5.702 8.038 11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 151 6.118 7.577 9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 151 4.440 4.388 9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 151 5.836 5.223 8.792 1.00 0.00 H new