USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 957 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 47 THR OG1 : rot -156:sc= -9.07! USER MOD Set 1.2: A 73 HIS : no HE2:sc= -22.2! C(o=-31!,f=-32!) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.463 K(o=-0.46,f=-4!) USER MOD Set 2.2: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00371) USER MOD Single : A 2 GLN : amide:sc= -1.25 K(o=-1.2,f=-11!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 14 SER OG : rot 180:sc= -0.305 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 130:sc= -5.16! USER MOD Single : A 31 THR OG1 : rot 168:sc= 0.446 USER MOD Single : A 32 THR OG1 : rot -140:sc= -2.08! USER MOD Single : A 37 ASN : amide:sc= -2.82! C(o=-2.8!,f=-9.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.108) USER MOD Single : A 53 SER OG : rot 128:sc= -4.33! USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.7) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= -1.28 (180deg=-1.58!) USER MOD Single : A 71 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.28) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -146:sc= -2.46 (180deg=-4.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 84 HIS : no HD1:sc= -0.0595 X(o=-0.059,f=-0.18) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -57:sc= 1.22 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.431 F(o=-2.6!,f=-0.43) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 101 TYR OH : rot 150:sc= -2.52! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 122 TYR OH : rot 130:sc= -0.761 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.394 -19.973 -15.757 1.00 0.00 N ATOM 2 CA MET A 1 -7.874 -19.559 -14.408 1.00 0.00 C ATOM 3 C MET A 1 -8.422 -18.132 -14.477 1.00 0.00 C ATOM 4 O MET A 1 -9.485 -17.839 -13.969 1.00 0.00 O ATOM 5 CB MET A 1 -6.713 -19.611 -13.411 1.00 0.00 C ATOM 6 CG MET A 1 -7.173 -20.307 -12.130 1.00 0.00 C ATOM 7 SD MET A 1 -7.057 -22.101 -12.341 1.00 0.00 S ATOM 8 CE MET A 1 -8.648 -22.516 -11.586 1.00 0.00 C ATOM 0 H1 MET A 1 -7.053 -20.955 -15.718 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.176 -19.905 -16.440 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.618 -19.349 -16.056 1.00 0.00 H new ATOM 0 HA MET A 1 -8.663 -20.237 -14.081 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.870 -20.147 -13.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.368 -18.602 -13.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.557 -19.989 -11.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.200 -20.023 -11.898 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.790 -23.596 -11.608 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.662 -22.169 -10.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.452 -22.033 -12.142 1.00 0.00 H new ATOM 20 N GLN A 2 -7.702 -17.240 -15.102 1.00 0.00 N ATOM 21 CA GLN A 2 -8.182 -15.833 -15.201 1.00 0.00 C ATOM 22 C GLN A 2 -8.258 -15.225 -13.798 1.00 0.00 C ATOM 23 O GLN A 2 -7.688 -15.740 -12.857 1.00 0.00 O ATOM 24 CB GLN A 2 -9.570 -15.816 -15.846 1.00 0.00 C ATOM 25 CG GLN A 2 -9.455 -15.353 -17.300 1.00 0.00 C ATOM 26 CD GLN A 2 -8.821 -13.961 -17.348 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.608 -13.340 -16.326 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.508 -13.441 -18.504 1.00 0.00 N ATOM 0 H GLN A 2 -6.803 -17.425 -15.548 1.00 0.00 H new ATOM 0 HA GLN A 2 -7.492 -15.250 -15.811 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.013 -16.811 -15.805 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.231 -15.149 -15.293 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.851 -16.059 -17.870 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.441 -15.331 -17.764 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.687 -13.962 -19.363 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.085 -12.514 -18.548 1.00 0.00 H new ATOM 37 N ARG A 3 -8.953 -14.128 -13.649 1.00 0.00 N ATOM 38 CA ARG A 3 -9.058 -13.488 -12.308 1.00 0.00 C ATOM 39 C ARG A 3 -7.676 -12.991 -11.878 1.00 0.00 C ATOM 40 O ARG A 3 -6.662 -13.480 -12.336 1.00 0.00 O ATOM 41 CB ARG A 3 -9.574 -14.510 -11.291 1.00 0.00 C ATOM 42 CG ARG A 3 -11.069 -14.283 -11.052 1.00 0.00 C ATOM 43 CD ARG A 3 -11.798 -15.628 -11.069 1.00 0.00 C ATOM 44 NE ARG A 3 -13.008 -15.528 -11.933 1.00 0.00 N ATOM 45 CZ ARG A 3 -12.983 -16.006 -13.148 1.00 0.00 C ATOM 46 NH1 ARG A 3 -12.551 -15.264 -14.131 1.00 0.00 N ATOM 47 NH2 ARG A 3 -13.390 -17.224 -13.379 1.00 0.00 N ATOM 0 H ARG A 3 -9.452 -13.649 -14.399 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.751 -12.648 -12.357 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.403 -15.522 -11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.026 -14.414 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.224 -13.785 -10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.476 -13.627 -11.822 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.135 -16.408 -11.443 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.084 -15.911 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.855 -15.086 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.233 -14.312 -13.950 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.531 -15.636 -15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.728 -17.803 -12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.370 -17.597 -14.328 1.00 0.00 H new ATOM 61 N GLY A 4 -7.624 -12.022 -11.006 1.00 0.00 N ATOM 62 CA GLY A 4 -6.303 -11.497 -10.556 1.00 0.00 C ATOM 63 C GLY A 4 -6.474 -10.700 -9.262 1.00 0.00 C ATOM 64 O GLY A 4 -7.570 -10.516 -8.771 1.00 0.00 O ATOM 0 H GLY A 4 -8.437 -11.572 -10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.609 -12.322 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.871 -10.863 -11.330 1.00 0.00 H new ATOM 68 N ILE A 5 -5.393 -10.226 -8.708 1.00 0.00 N ATOM 69 CA ILE A 5 -5.479 -9.439 -7.447 1.00 0.00 C ATOM 70 C ILE A 5 -4.573 -8.212 -7.559 1.00 0.00 C ATOM 71 O ILE A 5 -3.372 -8.296 -7.375 1.00 0.00 O ATOM 72 CB ILE A 5 -5.029 -10.311 -6.274 1.00 0.00 C ATOM 73 CG1 ILE A 5 -5.885 -11.579 -6.224 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.203 -9.536 -4.971 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.434 -12.543 -7.321 1.00 0.00 C ATOM 0 H ILE A 5 -4.450 -10.351 -9.076 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.507 -9.116 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.981 -10.581 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.793 -12.054 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.937 -11.326 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.883 -10.156 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.599 -8.629 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.252 -9.268 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.044 -13.446 -7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.549 -12.066 -8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.387 -12.806 -7.167 1.00 0.00 H new ATOM 87 N VAL A 6 -5.142 -7.075 -7.867 1.00 0.00 N ATOM 88 CA VAL A 6 -4.319 -5.837 -8.005 1.00 0.00 C ATOM 89 C VAL A 6 -4.451 -4.982 -6.741 1.00 0.00 C ATOM 90 O VAL A 6 -5.490 -4.408 -6.476 1.00 0.00 O ATOM 91 CB VAL A 6 -4.808 -5.031 -9.223 1.00 0.00 C ATOM 92 CG1 VAL A 6 -4.483 -3.540 -9.047 1.00 0.00 C ATOM 93 CG2 VAL A 6 -4.111 -5.542 -10.482 1.00 0.00 C ATOM 0 H VAL A 6 -6.141 -6.951 -8.029 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.274 -6.113 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.887 -5.154 -9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.836 -2.986 -9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.977 -3.163 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.405 -3.412 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.456 -4.973 -11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.033 -5.422 -10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.346 -6.597 -10.625 1.00 0.00 H new ATOM 103 N TRP A 7 -3.404 -4.873 -5.971 1.00 0.00 N ATOM 104 CA TRP A 7 -3.480 -4.031 -4.749 1.00 0.00 C ATOM 105 C TRP A 7 -2.824 -2.682 -5.052 1.00 0.00 C ATOM 106 O TRP A 7 -1.622 -2.511 -4.950 1.00 0.00 O ATOM 107 CB TRP A 7 -2.788 -4.743 -3.586 1.00 0.00 C ATOM 108 CG TRP A 7 -3.746 -5.760 -3.054 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.477 -6.592 -3.829 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.116 -6.058 -1.673 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.267 -7.383 -3.019 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.080 -7.096 -1.687 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.717 -5.544 -0.426 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.629 -7.605 -0.513 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.272 -6.056 0.762 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.226 -7.086 0.713 1.00 0.00 C ATOM 0 H TRP A 7 -2.506 -5.328 -6.135 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.517 -3.863 -4.460 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.867 -5.221 -3.921 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.513 -4.031 -2.808 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.448 -6.632 -4.908 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.911 -8.094 -3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.982 -4.754 -0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.362 -8.397 -0.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.963 -5.655 1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.647 -7.475 1.628 1.00 0.00 H new ATOM 127 N VAL A 8 -3.614 -1.732 -5.468 1.00 0.00 N ATOM 128 CA VAL A 8 -3.075 -0.394 -5.832 1.00 0.00 C ATOM 129 C VAL A 8 -3.197 0.579 -4.654 1.00 0.00 C ATOM 130 O VAL A 8 -3.948 0.360 -3.725 1.00 0.00 O ATOM 131 CB VAL A 8 -3.885 0.142 -7.013 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.318 1.488 -7.464 1.00 0.00 C ATOM 133 CG2 VAL A 8 -3.823 -0.854 -8.171 1.00 0.00 C ATOM 0 H VAL A 8 -4.624 -1.828 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.021 -0.487 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.922 0.276 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.900 1.864 -8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.370 2.199 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.279 1.362 -7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.401 -0.471 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.786 -0.993 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.238 -1.810 -7.851 1.00 0.00 H new ATOM 143 N VAL A 9 -2.469 1.665 -4.703 1.00 0.00 N ATOM 144 CA VAL A 9 -2.539 2.678 -3.611 1.00 0.00 C ATOM 145 C VAL A 9 -3.018 4.002 -4.211 1.00 0.00 C ATOM 146 O VAL A 9 -2.467 4.489 -5.180 1.00 0.00 O ATOM 147 CB VAL A 9 -1.152 2.867 -2.989 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.132 3.164 -4.088 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.187 4.038 -2.005 1.00 0.00 C ATOM 0 H VAL A 9 -1.824 1.894 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.229 2.344 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.867 1.955 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.854 3.298 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.102 2.332 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.419 4.074 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.200 4.172 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.475 4.948 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.912 3.830 -1.218 1.00 0.00 H new ATOM 159 N ASP A 10 -4.053 4.582 -3.666 1.00 0.00 N ATOM 160 CA ASP A 10 -4.566 5.854 -4.232 1.00 0.00 C ATOM 161 C ASP A 10 -4.110 7.041 -3.368 1.00 0.00 C ATOM 162 O ASP A 10 -2.927 7.273 -3.209 1.00 0.00 O ATOM 163 CB ASP A 10 -6.090 5.774 -4.292 1.00 0.00 C ATOM 164 CG ASP A 10 -6.629 5.229 -2.970 1.00 0.00 C ATOM 165 OD1 ASP A 10 -6.370 5.841 -1.949 1.00 0.00 O ATOM 166 OD2 ASP A 10 -7.293 4.206 -3.001 1.00 0.00 O ATOM 0 H ASP A 10 -4.562 4.228 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.171 6.007 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.508 6.761 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.398 5.129 -5.115 1.00 0.00 H new ATOM 171 N ASP A 11 -5.021 7.808 -2.819 1.00 0.00 N ATOM 172 CA ASP A 11 -4.602 8.974 -1.991 1.00 0.00 C ATOM 173 C ASP A 11 -5.435 9.032 -0.708 1.00 0.00 C ATOM 174 O ASP A 11 -4.911 8.954 0.386 1.00 0.00 O ATOM 175 CB ASP A 11 -4.808 10.262 -2.794 1.00 0.00 C ATOM 176 CG ASP A 11 -4.577 11.472 -1.888 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.139 11.273 -0.767 1.00 0.00 O ATOM 178 OD2 ASP A 11 -4.841 12.578 -2.331 1.00 0.00 O ATOM 0 H ASP A 11 -6.028 7.676 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.550 8.868 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.120 10.290 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.817 10.289 -3.205 1.00 0.00 H new ATOM 183 N ASP A 12 -6.727 9.181 -0.828 1.00 0.00 N ATOM 184 CA ASP A 12 -7.582 9.256 0.393 1.00 0.00 C ATOM 185 C ASP A 12 -8.775 8.311 0.256 1.00 0.00 C ATOM 186 O ASP A 12 -8.983 7.694 -0.769 1.00 0.00 O ATOM 187 CB ASP A 12 -8.088 10.688 0.568 1.00 0.00 C ATOM 188 CG ASP A 12 -8.326 11.321 -0.805 1.00 0.00 C ATOM 189 OD1 ASP A 12 -9.314 10.975 -1.431 1.00 0.00 O ATOM 190 OD2 ASP A 12 -7.515 12.138 -1.207 1.00 0.00 O ATOM 0 H ASP A 12 -7.226 9.254 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.992 8.963 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.013 10.690 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.361 11.275 1.129 1.00 0.00 H new ATOM 195 N SER A 13 -9.562 8.198 1.290 1.00 0.00 N ATOM 196 CA SER A 13 -10.748 7.298 1.236 1.00 0.00 C ATOM 197 C SER A 13 -11.683 7.746 0.109 1.00 0.00 C ATOM 198 O SER A 13 -11.623 8.868 -0.353 1.00 0.00 O ATOM 199 CB SER A 13 -11.492 7.360 2.570 1.00 0.00 C ATOM 200 OG SER A 13 -11.279 8.632 3.168 1.00 0.00 O ATOM 0 H SER A 13 -9.434 8.692 2.173 1.00 0.00 H new ATOM 0 HA SER A 13 -10.420 6.276 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.558 7.193 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.140 6.570 3.233 1.00 0.00 H new ATOM 0 HG SER A 13 -11.756 8.676 4.023 1.00 0.00 H new ATOM 206 N SER A 14 -12.545 6.870 -0.337 1.00 0.00 N ATOM 207 CA SER A 14 -13.489 7.226 -1.437 1.00 0.00 C ATOM 208 C SER A 14 -12.771 7.136 -2.783 1.00 0.00 C ATOM 209 O SER A 14 -13.381 7.234 -3.828 1.00 0.00 O ATOM 210 CB SER A 14 -14.020 8.647 -1.230 1.00 0.00 C ATOM 211 OG SER A 14 -14.284 8.852 0.151 1.00 0.00 O ATOM 0 H SER A 14 -12.636 5.917 0.016 1.00 0.00 H new ATOM 0 HA SER A 14 -14.326 6.527 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.291 9.375 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.929 8.796 -1.812 1.00 0.00 H new ATOM 0 HG SER A 14 -14.623 9.761 0.288 1.00 0.00 H new ATOM 217 N ILE A 15 -11.484 6.932 -2.768 1.00 0.00 N ATOM 218 CA ILE A 15 -10.735 6.814 -4.046 1.00 0.00 C ATOM 219 C ILE A 15 -10.573 5.329 -4.367 1.00 0.00 C ATOM 220 O ILE A 15 -10.805 4.883 -5.479 1.00 0.00 O ATOM 221 CB ILE A 15 -9.362 7.470 -3.884 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.546 8.929 -3.462 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.607 7.420 -5.212 1.00 0.00 C ATOM 224 CD1 ILE A 15 -10.128 9.730 -4.629 1.00 0.00 C ATOM 0 H ILE A 15 -10.919 6.842 -1.924 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.270 7.311 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.793 6.935 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.210 8.988 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.590 9.354 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.630 7.888 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.477 6.382 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.175 7.954 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.259 10.769 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.447 9.682 -5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.093 9.310 -4.913 1.00 0.00 H new ATOM 236 N ARG A 16 -10.204 4.554 -3.383 1.00 0.00 N ATOM 237 CA ARG A 16 -10.051 3.095 -3.602 1.00 0.00 C ATOM 238 C ARG A 16 -11.419 2.529 -3.963 1.00 0.00 C ATOM 239 O ARG A 16 -11.535 1.581 -4.716 1.00 0.00 O ATOM 240 CB ARG A 16 -9.537 2.430 -2.323 1.00 0.00 C ATOM 241 CG ARG A 16 -10.371 2.899 -1.128 1.00 0.00 C ATOM 242 CD ARG A 16 -11.169 1.718 -0.571 1.00 0.00 C ATOM 243 NE ARG A 16 -12.518 2.186 -0.143 1.00 0.00 N ATOM 244 CZ ARG A 16 -13.297 1.391 0.539 1.00 0.00 C ATOM 245 NH1 ARG A 16 -12.788 0.583 1.428 1.00 0.00 N ATOM 246 NH2 ARG A 16 -14.585 1.406 0.335 1.00 0.00 N ATOM 0 H ARG A 16 -10.002 4.874 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.337 2.904 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.595 1.346 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.488 2.681 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.721 3.310 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.047 3.698 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.266 0.941 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.641 1.275 0.274 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.832 3.126 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.781 0.572 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.397 -0.038 1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.984 2.039 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.193 0.784 0.868 1.00 0.00 H new ATOM 260 N TRP A 17 -12.462 3.121 -3.446 1.00 0.00 N ATOM 261 CA TRP A 17 -13.822 2.635 -3.778 1.00 0.00 C ATOM 262 C TRP A 17 -14.080 2.917 -5.255 1.00 0.00 C ATOM 263 O TRP A 17 -14.326 2.018 -6.025 1.00 0.00 O ATOM 264 CB TRP A 17 -14.856 3.369 -2.923 1.00 0.00 C ATOM 265 CG TRP A 17 -16.141 2.606 -2.934 1.00 0.00 C ATOM 266 CD1 TRP A 17 -16.297 1.335 -2.492 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.451 3.040 -3.400 1.00 0.00 C ATOM 268 NE1 TRP A 17 -17.619 0.963 -2.659 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.370 1.979 -3.214 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.926 4.239 -3.961 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.714 2.106 -3.572 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -19.277 4.369 -4.321 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.169 3.304 -4.128 1.00 0.00 C ATOM 0 H TRP A 17 -12.426 3.918 -2.810 1.00 0.00 H new ATOM 0 HA TRP A 17 -13.900 1.566 -3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -14.491 3.473 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.015 4.376 -3.309 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -15.517 0.714 -2.077 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -17.993 0.049 -2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -17.247 5.065 -4.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.397 1.283 -3.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -19.631 5.295 -4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -21.206 3.410 -4.409 1.00 0.00 H new ATOM 284 N VAL A 18 -14.038 4.168 -5.644 1.00 0.00 N ATOM 285 CA VAL A 18 -14.290 4.527 -7.073 1.00 0.00 C ATOM 286 C VAL A 18 -13.699 3.457 -7.999 1.00 0.00 C ATOM 287 O VAL A 18 -14.392 2.861 -8.807 1.00 0.00 O ATOM 288 CB VAL A 18 -13.623 5.875 -7.367 1.00 0.00 C ATOM 289 CG1 VAL A 18 -13.511 6.087 -8.879 1.00 0.00 C ATOM 290 CG2 VAL A 18 -14.470 6.997 -6.762 1.00 0.00 C ATOM 0 H VAL A 18 -13.839 4.958 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.364 4.590 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.624 5.884 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.036 7.048 -9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.911 5.288 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.507 6.076 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.000 7.959 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.467 6.978 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.547 6.854 -5.684 1.00 0.00 H new ATOM 300 N LEU A 19 -12.421 3.210 -7.890 1.00 0.00 N ATOM 301 CA LEU A 19 -11.792 2.180 -8.765 1.00 0.00 C ATOM 302 C LEU A 19 -12.531 0.855 -8.591 1.00 0.00 C ATOM 303 O LEU A 19 -13.237 0.413 -9.473 1.00 0.00 O ATOM 304 CB LEU A 19 -10.321 2.005 -8.383 1.00 0.00 C ATOM 305 CG LEU A 19 -9.455 2.921 -9.249 1.00 0.00 C ATOM 306 CD1 LEU A 19 -8.043 2.989 -8.667 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.392 2.368 -10.676 1.00 0.00 C ATOM 0 H LEU A 19 -11.789 3.674 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.853 2.499 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.178 2.242 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.020 0.966 -8.520 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.890 3.920 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.426 3.642 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.086 3.384 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.608 1.990 -8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.775 3.021 -11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.958 1.368 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.398 2.320 -11.093 1.00 0.00 H new ATOM 319 N GLU A 20 -12.351 0.217 -7.469 1.00 0.00 N ATOM 320 CA GLU A 20 -13.020 -1.097 -7.213 1.00 0.00 C ATOM 321 C GLU A 20 -14.415 -1.128 -7.851 1.00 0.00 C ATOM 322 O GLU A 20 -14.898 -2.167 -8.254 1.00 0.00 O ATOM 323 CB GLU A 20 -13.162 -1.297 -5.703 1.00 0.00 C ATOM 324 CG GLU A 20 -13.337 -2.784 -5.397 1.00 0.00 C ATOM 325 CD GLU A 20 -14.471 -2.969 -4.388 1.00 0.00 C ATOM 326 OE1 GLU A 20 -15.452 -2.252 -4.491 1.00 0.00 O ATOM 327 OE2 GLU A 20 -14.339 -3.825 -3.528 1.00 0.00 O ATOM 0 H GLU A 20 -11.762 0.551 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.414 -1.891 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.281 -0.911 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.019 -0.735 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.559 -3.331 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.410 -3.195 -4.997 1.00 0.00 H new ATOM 334 N ARG A 21 -15.067 0.001 -7.947 1.00 0.00 N ATOM 335 CA ARG A 21 -16.424 0.029 -8.562 1.00 0.00 C ATOM 336 C ARG A 21 -16.291 -0.321 -10.039 1.00 0.00 C ATOM 337 O ARG A 21 -16.909 -1.245 -10.528 1.00 0.00 O ATOM 338 CB ARG A 21 -17.033 1.425 -8.416 1.00 0.00 C ATOM 339 CG ARG A 21 -18.082 1.413 -7.302 1.00 0.00 C ATOM 340 CD ARG A 21 -19.481 1.487 -7.916 1.00 0.00 C ATOM 341 NE ARG A 21 -20.437 0.720 -7.068 1.00 0.00 N ATOM 342 CZ ARG A 21 -21.636 0.457 -7.511 1.00 0.00 C ATOM 343 NH1 ARG A 21 -22.213 1.265 -8.358 1.00 0.00 N ATOM 344 NH2 ARG A 21 -22.259 -0.617 -7.108 1.00 0.00 N ATOM 0 H ARG A 21 -14.717 0.904 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.074 -0.690 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.253 2.151 -8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.490 1.734 -9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -17.983 0.506 -6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.923 2.256 -6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.801 2.526 -7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.468 1.080 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.154 0.401 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.727 2.104 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -23.150 1.058 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.809 -1.250 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -23.196 -0.823 -7.454 1.00 0.00 H new ATOM 358 N ALA A 22 -15.471 0.399 -10.752 1.00 0.00 N ATOM 359 CA ALA A 22 -15.281 0.086 -12.195 1.00 0.00 C ATOM 360 C ALA A 22 -14.565 -1.264 -12.312 1.00 0.00 C ATOM 361 O ALA A 22 -14.493 -1.854 -13.371 1.00 0.00 O ATOM 362 CB ALA A 22 -14.429 1.178 -12.849 1.00 0.00 C ATOM 0 H ALA A 22 -14.927 1.187 -10.400 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.247 0.040 -12.698 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.291 0.948 -13.905 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.932 2.140 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.457 1.225 -12.357 1.00 0.00 H new ATOM 368 N LEU A 23 -14.030 -1.751 -11.220 1.00 0.00 N ATOM 369 CA LEU A 23 -13.308 -3.053 -11.239 1.00 0.00 C ATOM 370 C LEU A 23 -14.273 -4.185 -10.878 1.00 0.00 C ATOM 371 O LEU A 23 -13.963 -5.357 -11.026 1.00 0.00 O ATOM 372 CB LEU A 23 -12.178 -2.993 -10.213 1.00 0.00 C ATOM 373 CG LEU A 23 -10.979 -2.283 -10.835 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.415 -1.264 -9.843 1.00 0.00 C ATOM 375 CD2 LEU A 23 -9.905 -3.312 -11.181 1.00 0.00 C ATOM 0 H LEU A 23 -14.065 -1.294 -10.309 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.902 -3.241 -12.233 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.508 -2.462 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.899 -3.999 -9.901 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.292 -1.766 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.559 -0.758 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.183 -0.530 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.101 -1.777 -8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.047 -2.807 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.592 -3.830 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.308 -4.035 -11.890 1.00 0.00 H new ATOM 387 N ALA A 24 -15.443 -3.844 -10.409 1.00 0.00 N ATOM 388 CA ALA A 24 -16.436 -4.893 -10.046 1.00 0.00 C ATOM 389 C ALA A 24 -17.027 -5.477 -11.328 1.00 0.00 C ATOM 390 O ALA A 24 -17.130 -6.678 -11.485 1.00 0.00 O ATOM 391 CB ALA A 24 -17.552 -4.275 -9.200 1.00 0.00 C ATOM 0 H ALA A 24 -15.753 -2.884 -10.262 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.949 -5.680 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.277 -5.045 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.127 -3.850 -8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.048 -3.489 -9.770 1.00 0.00 H new ATOM 397 N GLY A 25 -17.404 -4.638 -12.256 1.00 0.00 N ATOM 398 CA GLY A 25 -17.973 -5.152 -13.531 1.00 0.00 C ATOM 399 C GLY A 25 -17.012 -6.192 -14.107 1.00 0.00 C ATOM 400 O GLY A 25 -17.416 -7.234 -14.581 1.00 0.00 O ATOM 0 H GLY A 25 -17.342 -3.622 -12.185 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.952 -5.597 -13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.116 -4.335 -14.239 1.00 0.00 H new ATOM 404 N ALA A 26 -15.738 -5.918 -14.050 1.00 0.00 N ATOM 405 CA ALA A 26 -14.742 -6.891 -14.573 1.00 0.00 C ATOM 406 C ALA A 26 -14.729 -8.114 -13.657 1.00 0.00 C ATOM 407 O ALA A 26 -14.625 -9.240 -14.104 1.00 0.00 O ATOM 408 CB ALA A 26 -13.357 -6.240 -14.592 1.00 0.00 C ATOM 0 H ALA A 26 -15.344 -5.060 -13.663 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.005 -7.193 -15.587 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.626 -6.952 -14.975 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.378 -5.360 -15.234 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.080 -5.944 -13.580 1.00 0.00 H new ATOM 414 N GLY A 27 -14.850 -7.899 -12.375 1.00 0.00 N ATOM 415 CA GLY A 27 -14.861 -9.044 -11.423 1.00 0.00 C ATOM 416 C GLY A 27 -13.435 -9.377 -10.985 1.00 0.00 C ATOM 417 O GLY A 27 -13.017 -10.517 -11.029 1.00 0.00 O ATOM 0 H GLY A 27 -14.942 -6.978 -11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.469 -8.797 -10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.318 -9.914 -11.894 1.00 0.00 H new ATOM 421 N LEU A 28 -12.680 -8.400 -10.555 1.00 0.00 N ATOM 422 CA LEU A 28 -11.284 -8.694 -10.112 1.00 0.00 C ATOM 423 C LEU A 28 -11.105 -8.291 -8.651 1.00 0.00 C ATOM 424 O LEU A 28 -11.971 -7.695 -8.042 1.00 0.00 O ATOM 425 CB LEU A 28 -10.285 -7.904 -10.954 1.00 0.00 C ATOM 426 CG LEU A 28 -9.969 -8.666 -12.240 1.00 0.00 C ATOM 427 CD1 LEU A 28 -10.162 -7.738 -13.440 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.515 -9.146 -12.197 1.00 0.00 C ATOM 0 H LEU A 28 -12.964 -7.423 -10.491 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.106 -9.763 -10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.695 -6.923 -11.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.370 -7.737 -10.386 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.636 -9.523 -12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.937 -8.280 -14.359 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.194 -7.389 -13.468 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.492 -6.883 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.284 -9.691 -13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.851 -8.286 -12.109 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.374 -9.803 -11.339 1.00 0.00 H new ATOM 440 N THR A 29 -9.972 -8.607 -8.094 1.00 0.00 N ATOM 441 CA THR A 29 -9.698 -8.241 -6.677 1.00 0.00 C ATOM 442 C THR A 29 -8.820 -6.992 -6.668 1.00 0.00 C ATOM 443 O THR A 29 -7.674 -7.024 -6.264 1.00 0.00 O ATOM 444 CB THR A 29 -8.971 -9.393 -5.969 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.839 -10.515 -5.884 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.555 -8.962 -4.555 1.00 0.00 C ATOM 0 H THR A 29 -9.217 -9.107 -8.563 1.00 0.00 H new ATOM 0 HA THR A 29 -10.634 -8.048 -6.152 1.00 0.00 H new ATOM 0 HB THR A 29 -8.080 -9.658 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.377 -11.253 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.040 -9.786 -4.060 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.888 -8.102 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.442 -8.692 -3.981 1.00 0.00 H new ATOM 454 N CYS A 30 -9.344 -5.893 -7.130 1.00 0.00 N ATOM 455 CA CYS A 30 -8.543 -4.647 -7.162 1.00 0.00 C ATOM 456 C CYS A 30 -8.582 -3.990 -5.787 1.00 0.00 C ATOM 457 O CYS A 30 -9.322 -3.057 -5.553 1.00 0.00 O ATOM 458 CB CYS A 30 -9.135 -3.701 -8.198 1.00 0.00 C ATOM 459 SG CYS A 30 -8.008 -2.306 -8.450 1.00 0.00 S ATOM 0 H CYS A 30 -10.296 -5.807 -7.487 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.510 -4.875 -7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.295 -4.228 -9.139 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.108 -3.341 -7.864 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.798 -2.142 -9.722 1.00 0.00 H new ATOM 465 N THR A 31 -7.786 -4.469 -4.875 1.00 0.00 N ATOM 466 CA THR A 31 -7.773 -3.871 -3.517 1.00 0.00 C ATOM 467 C THR A 31 -7.030 -2.536 -3.577 1.00 0.00 C ATOM 468 O THR A 31 -5.938 -2.449 -4.092 1.00 0.00 O ATOM 469 CB THR A 31 -7.071 -4.838 -2.552 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.006 -5.802 -2.092 1.00 0.00 O ATOM 471 CG2 THR A 31 -6.499 -4.074 -1.356 1.00 0.00 C ATOM 0 H THR A 31 -7.144 -5.249 -5.013 1.00 0.00 H new ATOM 0 HA THR A 31 -8.789 -3.698 -3.162 1.00 0.00 H new ATOM 0 HB THR A 31 -6.254 -5.333 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.530 -6.529 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.005 -4.772 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.778 -3.336 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.307 -3.568 -0.827 1.00 0.00 H new ATOM 479 N THR A 32 -7.614 -1.495 -3.064 1.00 0.00 N ATOM 480 CA THR A 32 -6.930 -0.176 -3.107 1.00 0.00 C ATOM 481 C THR A 32 -6.872 0.419 -1.703 1.00 0.00 C ATOM 482 O THR A 32 -7.831 0.377 -0.958 1.00 0.00 O ATOM 483 CB THR A 32 -7.696 0.769 -4.035 1.00 0.00 C ATOM 484 OG1 THR A 32 -9.043 0.330 -4.147 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.041 0.770 -5.418 1.00 0.00 C ATOM 0 H THR A 32 -8.531 -1.498 -2.618 1.00 0.00 H new ATOM 0 HA THR A 32 -5.916 -0.308 -3.483 1.00 0.00 H new ATOM 0 HB THR A 32 -7.675 1.779 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.345 0.434 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.587 1.443 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.008 1.106 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.061 -0.239 -5.831 1.00 0.00 H new ATOM 493 N PHE A 33 -5.751 0.971 -1.336 1.00 0.00 N ATOM 494 CA PHE A 33 -5.625 1.570 0.020 1.00 0.00 C ATOM 495 C PHE A 33 -5.525 3.093 -0.109 1.00 0.00 C ATOM 496 O PHE A 33 -5.641 3.638 -1.189 1.00 0.00 O ATOM 497 CB PHE A 33 -4.378 1.005 0.706 1.00 0.00 C ATOM 498 CG PHE A 33 -4.781 -0.162 1.575 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.710 -1.096 1.101 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.231 -0.310 2.855 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.089 -2.178 1.903 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.611 -1.393 3.658 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.539 -2.327 3.182 1.00 0.00 C ATOM 0 H PHE A 33 -4.915 1.033 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.500 1.325 0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.650 0.685 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.898 1.776 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.135 -0.981 0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.515 0.410 3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.805 -2.898 1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.188 -1.508 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.831 -3.162 3.801 1.00 0.00 H new ATOM 513 N GLU A 34 -5.331 3.785 0.980 1.00 0.00 N ATOM 514 CA GLU A 34 -5.248 5.274 0.908 1.00 0.00 C ATOM 515 C GLU A 34 -3.788 5.724 0.821 1.00 0.00 C ATOM 516 O GLU A 34 -3.435 6.554 0.007 1.00 0.00 O ATOM 517 CB GLU A 34 -5.887 5.877 2.161 1.00 0.00 C ATOM 518 CG GLU A 34 -7.215 5.173 2.448 1.00 0.00 C ATOM 519 CD GLU A 34 -7.721 5.578 3.834 1.00 0.00 C ATOM 520 OE1 GLU A 34 -7.639 6.753 4.153 1.00 0.00 O ATOM 521 OE2 GLU A 34 -8.183 4.707 4.553 1.00 0.00 O ATOM 0 H GLU A 34 -5.227 3.387 1.913 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.777 5.614 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.215 5.769 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.053 6.945 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.951 5.439 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.083 4.092 2.399 1.00 0.00 H new ATOM 528 N ASN A 35 -2.937 5.199 1.660 1.00 0.00 N ATOM 529 CA ASN A 35 -1.506 5.619 1.625 1.00 0.00 C ATOM 530 C ASN A 35 -0.623 4.431 1.244 1.00 0.00 C ATOM 531 O ASN A 35 -0.886 3.304 1.615 1.00 0.00 O ATOM 532 CB ASN A 35 -1.095 6.134 3.005 1.00 0.00 C ATOM 533 CG ASN A 35 -0.639 7.589 2.895 1.00 0.00 C ATOM 534 OD1 ASN A 35 -0.483 8.110 1.809 1.00 0.00 O ATOM 535 ND2 ASN A 35 -0.415 8.272 3.984 1.00 0.00 N ATOM 0 H ASN A 35 -3.169 4.500 2.366 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.383 6.409 0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.933 6.056 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.290 5.520 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.109 9.243 3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.546 7.835 4.896 1.00 0.00 H new ATOM 542 N GLY A 36 0.429 4.677 0.508 1.00 0.00 N ATOM 543 CA GLY A 36 1.336 3.566 0.103 1.00 0.00 C ATOM 544 C GLY A 36 1.796 2.803 1.344 1.00 0.00 C ATOM 545 O GLY A 36 1.999 1.607 1.309 1.00 0.00 O ATOM 0 H GLY A 36 0.698 5.601 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.819 2.892 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.198 3.964 -0.432 1.00 0.00 H new ATOM 549 N ASN A 37 1.954 3.480 2.448 1.00 0.00 N ATOM 550 CA ASN A 37 2.389 2.775 3.683 1.00 0.00 C ATOM 551 C ASN A 37 1.329 1.735 4.051 1.00 0.00 C ATOM 552 O ASN A 37 1.481 0.562 3.774 1.00 0.00 O ATOM 553 CB ASN A 37 2.539 3.783 4.825 1.00 0.00 C ATOM 554 CG ASN A 37 2.804 3.038 6.133 1.00 0.00 C ATOM 555 OD1 ASN A 37 2.078 2.130 6.488 1.00 0.00 O ATOM 556 ND2 ASN A 37 3.823 3.383 6.873 1.00 0.00 N ATOM 0 H ASN A 37 1.802 4.484 2.547 1.00 0.00 H new ATOM 0 HA ASN A 37 3.348 2.285 3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.359 4.469 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.635 4.385 4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.008 2.891 7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.434 4.145 6.577 1.00 0.00 H new ATOM 563 N GLU A 38 0.261 2.163 4.681 1.00 0.00 N ATOM 564 CA GLU A 38 -0.825 1.216 5.082 1.00 0.00 C ATOM 565 C GLU A 38 -0.973 0.108 4.035 1.00 0.00 C ATOM 566 O GLU A 38 -1.259 -1.029 4.354 1.00 0.00 O ATOM 567 CB GLU A 38 -2.145 1.985 5.179 1.00 0.00 C ATOM 568 CG GLU A 38 -2.209 2.728 6.516 1.00 0.00 C ATOM 569 CD GLU A 38 -3.098 1.954 7.491 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.607 1.009 8.086 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.254 2.319 7.624 1.00 0.00 O ATOM 0 H GLU A 38 0.095 3.137 4.936 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.573 0.770 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.227 2.693 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.986 1.297 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.207 2.838 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.604 3.733 6.367 1.00 0.00 H new ATOM 578 N VAL A 39 -0.779 0.436 2.785 1.00 0.00 N ATOM 579 CA VAL A 39 -0.903 -0.581 1.715 1.00 0.00 C ATOM 580 C VAL A 39 0.021 -1.752 2.019 1.00 0.00 C ATOM 581 O VAL A 39 -0.417 -2.877 2.159 1.00 0.00 O ATOM 582 CB VAL A 39 -0.498 0.059 0.388 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.600 -0.972 -0.726 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.425 1.234 0.077 1.00 0.00 C ATOM 0 H VAL A 39 -0.538 1.373 2.463 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.930 -0.942 1.658 1.00 0.00 H new ATOM 0 HB VAL A 39 0.529 0.418 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.311 -0.515 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.064 -1.809 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.626 -1.332 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.133 1.687 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.453 0.878 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.352 1.976 0.872 1.00 0.00 H new ATOM 594 N LEU A 40 1.294 -1.507 2.131 1.00 0.00 N ATOM 595 CA LEU A 40 2.218 -2.624 2.435 1.00 0.00 C ATOM 596 C LEU A 40 1.938 -3.114 3.852 1.00 0.00 C ATOM 597 O LEU A 40 2.339 -4.193 4.238 1.00 0.00 O ATOM 598 CB LEU A 40 3.665 -2.157 2.305 1.00 0.00 C ATOM 599 CG LEU A 40 4.277 -2.828 1.077 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.353 -4.335 1.317 1.00 0.00 C ATOM 601 CD2 LEU A 40 3.392 -2.558 -0.143 1.00 0.00 C ATOM 0 H LEU A 40 1.729 -0.590 2.026 1.00 0.00 H new ATOM 0 HA LEU A 40 2.062 -3.440 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.706 -1.072 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.230 -2.417 3.200 1.00 0.00 H new ATOM 0 HG LEU A 40 5.276 -2.429 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.789 -4.821 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.974 -4.533 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.350 -4.727 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.827 -3.036 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.395 -2.962 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.323 -1.483 -0.312 1.00 0.00 H new ATOM 613 N ALA A 41 1.219 -2.342 4.623 1.00 0.00 N ATOM 614 CA ALA A 41 0.880 -2.790 5.998 1.00 0.00 C ATOM 615 C ALA A 41 -0.079 -3.968 5.867 1.00 0.00 C ATOM 616 O ALA A 41 -0.098 -4.870 6.680 1.00 0.00 O ATOM 617 CB ALA A 41 0.201 -1.653 6.764 1.00 0.00 C ATOM 0 H ALA A 41 0.855 -1.426 4.359 1.00 0.00 H new ATOM 0 HA ALA A 41 1.779 -3.080 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.045 -1.989 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.876 -0.799 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.712 -1.360 6.246 1.00 0.00 H new ATOM 623 N ALA A 42 -0.869 -3.964 4.825 1.00 0.00 N ATOM 624 CA ALA A 42 -1.826 -5.080 4.602 1.00 0.00 C ATOM 625 C ALA A 42 -1.121 -6.184 3.810 1.00 0.00 C ATOM 626 O ALA A 42 -1.406 -7.354 3.967 1.00 0.00 O ATOM 627 CB ALA A 42 -3.028 -4.561 3.807 1.00 0.00 C ATOM 0 H ALA A 42 -0.890 -3.230 4.117 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.170 -5.477 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.733 -5.375 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.519 -3.765 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.689 -4.173 2.847 1.00 0.00 H new ATOM 633 N LEU A 43 -0.202 -5.814 2.958 1.00 0.00 N ATOM 634 CA LEU A 43 0.530 -6.825 2.151 1.00 0.00 C ATOM 635 C LEU A 43 1.813 -7.240 2.869 1.00 0.00 C ATOM 636 O LEU A 43 2.590 -8.021 2.359 1.00 0.00 O ATOM 637 CB LEU A 43 0.908 -6.194 0.826 1.00 0.00 C ATOM 638 CG LEU A 43 -0.355 -5.931 0.008 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.025 -5.229 -1.293 1.00 0.00 C ATOM 640 CD2 LEU A 43 -1.046 -7.258 -0.309 1.00 0.00 C ATOM 0 H LEU A 43 0.073 -4.847 2.788 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.103 -7.700 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.445 -5.261 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.580 -6.853 0.276 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.035 -5.299 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.874 -5.039 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.516 -4.283 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.704 -5.863 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.947 -7.069 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.370 -7.893 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.315 -7.760 0.621 1.00 0.00 H new ATOM 652 N ALA A 44 2.038 -6.695 4.033 1.00 0.00 N ATOM 653 CA ALA A 44 3.273 -7.010 4.822 1.00 0.00 C ATOM 654 C ALA A 44 3.759 -8.430 4.517 1.00 0.00 C ATOM 655 O ALA A 44 4.944 -8.681 4.424 1.00 0.00 O ATOM 656 CB ALA A 44 2.965 -6.887 6.317 1.00 0.00 C ATOM 0 H ALA A 44 1.408 -6.031 4.483 1.00 0.00 H new ATOM 0 HA ALA A 44 4.057 -6.305 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.862 -7.116 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.640 -5.870 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.174 -7.587 6.584 1.00 0.00 H new ATOM 662 N SER A 45 2.857 -9.355 4.347 1.00 0.00 N ATOM 663 CA SER A 45 3.274 -10.749 4.031 1.00 0.00 C ATOM 664 C SER A 45 3.839 -10.783 2.609 1.00 0.00 C ATOM 665 O SER A 45 4.959 -11.195 2.383 1.00 0.00 O ATOM 666 CB SER A 45 2.064 -11.679 4.124 1.00 0.00 C ATOM 667 OG SER A 45 1.929 -12.145 5.461 1.00 0.00 O ATOM 0 H SER A 45 1.850 -9.206 4.413 1.00 0.00 H new ATOM 0 HA SER A 45 4.033 -11.079 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.161 -11.151 3.818 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.186 -12.522 3.444 1.00 0.00 H new ATOM 0 HG SER A 45 1.153 -12.740 5.523 1.00 0.00 H new ATOM 673 N LYS A 46 3.071 -10.339 1.651 1.00 0.00 N ATOM 674 CA LYS A 46 3.557 -10.328 0.247 1.00 0.00 C ATOM 675 C LYS A 46 2.401 -10.006 -0.704 1.00 0.00 C ATOM 676 O LYS A 46 1.310 -10.525 -0.574 1.00 0.00 O ATOM 677 CB LYS A 46 4.147 -11.690 -0.097 1.00 0.00 C ATOM 678 CG LYS A 46 5.643 -11.521 -0.323 1.00 0.00 C ATOM 679 CD LYS A 46 6.413 -12.472 0.592 1.00 0.00 C ATOM 680 CE LYS A 46 7.640 -13.011 -0.145 1.00 0.00 C ATOM 681 NZ LYS A 46 8.872 -12.419 0.446 1.00 0.00 N ATOM 0 H LYS A 46 2.125 -9.983 1.784 1.00 0.00 H new ATOM 0 HA LYS A 46 4.326 -9.563 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.963 -12.398 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.672 -12.095 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.888 -11.725 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.937 -10.491 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.721 -11.951 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.770 -13.296 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.674 -14.098 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.578 -12.766 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.681 -12.604 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.746 -11.392 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.050 -12.847 1.377 1.00 0.00 H new ATOM 695 N THR A 47 2.636 -9.146 -1.660 1.00 0.00 N ATOM 696 CA THR A 47 1.560 -8.777 -2.624 1.00 0.00 C ATOM 697 C THR A 47 0.919 -10.046 -3.191 1.00 0.00 C ATOM 698 O THR A 47 1.525 -11.098 -3.195 1.00 0.00 O ATOM 699 CB THR A 47 2.168 -7.962 -3.769 1.00 0.00 C ATOM 700 OG1 THR A 47 3.322 -7.283 -3.298 1.00 0.00 O ATOM 701 CG2 THR A 47 1.152 -6.942 -4.280 1.00 0.00 C ATOM 0 H THR A 47 3.531 -8.682 -1.814 1.00 0.00 H new ATOM 0 HA THR A 47 0.800 -8.186 -2.112 1.00 0.00 H new ATOM 0 HB THR A 47 2.440 -8.633 -4.584 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.491 -6.498 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.592 -6.366 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.265 -7.462 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.873 -6.269 -3.469 1.00 0.00 H new ATOM 709 N PRO A 48 -0.293 -9.900 -3.661 1.00 0.00 N ATOM 710 CA PRO A 48 -0.979 -11.076 -4.234 1.00 0.00 C ATOM 711 C PRO A 48 -0.645 -11.205 -5.724 1.00 0.00 C ATOM 712 O PRO A 48 0.066 -12.104 -6.129 1.00 0.00 O ATOM 713 CB PRO A 48 -2.466 -10.795 -4.027 1.00 0.00 C ATOM 714 CG PRO A 48 -2.597 -9.269 -3.882 1.00 0.00 C ATOM 715 CD PRO A 48 -1.208 -8.747 -3.484 1.00 0.00 C ATOM 0 HA PRO A 48 -0.675 -12.012 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.052 -11.158 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.839 -11.304 -3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.928 -8.818 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.339 -9.014 -3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.909 -7.907 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.201 -8.394 -2.453 1.00 0.00 H new ATOM 723 N ASP A 49 -1.148 -10.322 -6.547 1.00 0.00 N ATOM 724 CA ASP A 49 -0.841 -10.421 -8.001 1.00 0.00 C ATOM 725 C ASP A 49 0.095 -9.280 -8.416 1.00 0.00 C ATOM 726 O ASP A 49 1.222 -9.509 -8.809 1.00 0.00 O ATOM 727 CB ASP A 49 -2.140 -10.344 -8.808 1.00 0.00 C ATOM 728 CG ASP A 49 -2.321 -11.643 -9.599 1.00 0.00 C ATOM 729 OD1 ASP A 49 -1.354 -12.373 -9.731 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.426 -11.887 -10.057 1.00 0.00 O ATOM 0 H ASP A 49 -1.752 -9.545 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.350 -11.374 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.988 -10.190 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.110 -9.492 -9.487 1.00 0.00 H new ATOM 735 N VAL A 50 -0.358 -8.057 -8.344 1.00 0.00 N ATOM 736 CA VAL A 50 0.516 -6.917 -8.750 1.00 0.00 C ATOM 737 C VAL A 50 0.163 -5.670 -7.941 1.00 0.00 C ATOM 738 O VAL A 50 -0.987 -5.416 -7.643 1.00 0.00 O ATOM 739 CB VAL A 50 0.298 -6.634 -10.243 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.613 -5.170 -10.572 1.00 0.00 C ATOM 741 CG2 VAL A 50 1.223 -7.528 -11.057 1.00 0.00 C ATOM 0 H VAL A 50 -1.291 -7.798 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 50 1.559 -7.175 -8.564 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.745 -6.834 -10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.451 -4.993 -11.635 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.040 -4.518 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.652 -4.957 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.075 -7.334 -12.119 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.259 -7.318 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.998 -8.573 -10.845 1.00 0.00 H new ATOM 751 N LEU A 51 1.142 -4.876 -7.605 1.00 0.00 N ATOM 752 CA LEU A 51 0.844 -3.633 -6.838 1.00 0.00 C ATOM 753 C LEU A 51 0.842 -2.448 -7.799 1.00 0.00 C ATOM 754 O LEU A 51 1.460 -2.484 -8.845 1.00 0.00 O ATOM 755 CB LEU A 51 1.896 -3.404 -5.752 1.00 0.00 C ATOM 756 CG LEU A 51 1.194 -2.984 -4.457 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.326 -4.131 -3.943 1.00 0.00 C ATOM 758 CD2 LEU A 51 2.241 -2.638 -3.404 1.00 0.00 C ATOM 0 H LEU A 51 2.126 -5.031 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.131 -3.735 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.473 -4.314 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.599 -2.633 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 51 0.566 -2.115 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.171 -3.827 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.423 -4.384 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.952 -5.002 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.744 -2.339 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.867 -3.510 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.862 -1.818 -3.764 1.00 0.00 H new ATOM 770 N LEU A 52 0.148 -1.399 -7.466 1.00 0.00 N ATOM 771 CA LEU A 52 0.114 -0.224 -8.379 1.00 0.00 C ATOM 772 C LEU A 52 0.045 1.061 -7.560 1.00 0.00 C ATOM 773 O LEU A 52 -0.164 1.030 -6.367 1.00 0.00 O ATOM 774 CB LEU A 52 -1.112 -0.328 -9.280 1.00 0.00 C ATOM 775 CG LEU A 52 -0.656 -0.507 -10.722 1.00 0.00 C ATOM 776 CD1 LEU A 52 -1.461 -1.633 -11.373 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.879 0.795 -11.493 1.00 0.00 C ATOM 0 H LEU A 52 -0.394 -1.303 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 52 1.016 -0.207 -8.990 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.733 -1.170 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.724 0.569 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 52 0.404 -0.761 -10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.136 -1.763 -12.405 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.300 -2.560 -10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.521 -1.380 -11.355 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.553 0.667 -12.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.938 1.051 -11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.305 1.596 -11.028 1.00 0.00 H new ATOM 789 N SER A 53 0.220 2.191 -8.190 1.00 0.00 N ATOM 790 CA SER A 53 0.164 3.477 -7.439 1.00 0.00 C ATOM 791 C SER A 53 -0.235 4.611 -8.387 1.00 0.00 C ATOM 792 O SER A 53 0.210 4.675 -9.515 1.00 0.00 O ATOM 793 CB SER A 53 1.539 3.778 -6.842 1.00 0.00 C ATOM 794 OG SER A 53 2.392 4.284 -7.862 1.00 0.00 O ATOM 0 H SER A 53 0.399 2.279 -9.190 1.00 0.00 H new ATOM 0 HA SER A 53 -0.573 3.396 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.447 4.505 -6.035 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.967 2.874 -6.409 1.00 0.00 H new ATOM 0 HG SER A 53 2.794 5.127 -7.564 1.00 0.00 H new ATOM 800 N ASP A 54 -1.067 5.510 -7.935 1.00 0.00 N ATOM 801 CA ASP A 54 -1.486 6.642 -8.809 1.00 0.00 C ATOM 802 C ASP A 54 -0.472 7.781 -8.682 1.00 0.00 C ATOM 803 O ASP A 54 0.564 7.634 -8.063 1.00 0.00 O ATOM 804 CB ASP A 54 -2.866 7.139 -8.377 1.00 0.00 C ATOM 805 CG ASP A 54 -3.939 6.164 -8.866 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.578 5.070 -9.270 1.00 0.00 O ATOM 807 OD2 ASP A 54 -5.103 6.528 -8.830 1.00 0.00 O ATOM 0 H ASP A 54 -1.474 5.509 -7.000 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.531 6.305 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.908 7.228 -7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.050 8.133 -8.785 1.00 0.00 H new ATOM 812 N ILE A 55 -0.758 8.916 -9.258 1.00 0.00 N ATOM 813 CA ILE A 55 0.198 10.058 -9.160 1.00 0.00 C ATOM 814 C ILE A 55 -0.491 11.252 -8.492 1.00 0.00 C ATOM 815 O ILE A 55 0.063 12.329 -8.401 1.00 0.00 O ATOM 816 CB ILE A 55 0.685 10.454 -10.562 1.00 0.00 C ATOM 817 CG1 ILE A 55 -0.318 11.403 -11.234 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.846 9.202 -11.424 1.00 0.00 C ATOM 819 CD1 ILE A 55 -1.696 10.741 -11.300 1.00 0.00 C ATOM 0 H ILE A 55 -1.608 9.103 -9.790 1.00 0.00 H new ATOM 0 HA ILE A 55 1.056 9.756 -8.559 1.00 0.00 H new ATOM 0 HB ILE A 55 1.644 10.963 -10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.380 12.337 -10.675 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.023 11.655 -12.238 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.192 9.486 -12.418 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.575 8.535 -10.964 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.113 8.691 -11.506 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.403 11.419 -11.778 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.630 9.820 -11.878 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.038 10.512 -10.291 1.00 0.00 H new ATOM 831 N ARG A 56 -1.697 11.073 -8.029 1.00 0.00 N ATOM 832 CA ARG A 56 -2.416 12.202 -7.377 1.00 0.00 C ATOM 833 C ARG A 56 -2.051 12.255 -5.892 1.00 0.00 C ATOM 834 O ARG A 56 -1.367 11.393 -5.378 1.00 0.00 O ATOM 835 CB ARG A 56 -3.924 11.991 -7.520 1.00 0.00 C ATOM 836 CG ARG A 56 -4.365 10.836 -6.620 1.00 0.00 C ATOM 837 CD ARG A 56 -5.327 9.929 -7.387 1.00 0.00 C ATOM 838 NE ARG A 56 -6.487 10.729 -7.871 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.503 11.180 -9.097 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.332 10.358 -10.095 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.690 12.451 -9.321 1.00 0.00 N ATOM 0 H ARG A 56 -2.215 10.195 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.128 13.139 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.457 12.902 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.175 11.773 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.496 10.266 -6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.850 11.224 -5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.813 9.467 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.673 9.121 -6.743 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.268 10.925 -7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.186 9.364 -9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.344 10.709 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.824 13.092 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.703 12.804 -10.278 1.00 0.00 H new ATOM 855 N MET A 57 -2.508 13.263 -5.201 1.00 0.00 N ATOM 856 CA MET A 57 -2.198 13.378 -3.749 1.00 0.00 C ATOM 857 C MET A 57 -2.656 14.749 -3.244 1.00 0.00 C ATOM 858 O MET A 57 -3.139 15.561 -4.008 1.00 0.00 O ATOM 859 CB MET A 57 -0.690 13.225 -3.529 1.00 0.00 C ATOM 860 CG MET A 57 -0.393 11.826 -2.983 1.00 0.00 C ATOM 861 SD MET A 57 0.487 11.966 -1.407 1.00 0.00 S ATOM 862 CE MET A 57 -0.400 10.652 -0.534 1.00 0.00 C ATOM 0 H MET A 57 -3.084 14.014 -5.581 1.00 0.00 H new ATOM 0 HA MET A 57 -2.719 12.593 -3.201 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.157 13.382 -4.467 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.335 13.983 -2.830 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.322 11.273 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.208 11.265 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.011 10.562 0.480 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.462 10.894 -0.495 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.262 9.708 -1.060 1.00 0.00 H new ATOM 872 N PRO A 58 -2.494 14.957 -1.968 1.00 0.00 N ATOM 873 CA PRO A 58 -2.918 16.253 -1.394 1.00 0.00 C ATOM 874 C PRO A 58 -1.718 17.194 -1.249 1.00 0.00 C ATOM 875 O PRO A 58 -0.764 16.895 -0.560 1.00 0.00 O ATOM 876 CB PRO A 58 -3.489 15.895 -0.022 1.00 0.00 C ATOM 877 CG PRO A 58 -2.858 14.544 0.367 1.00 0.00 C ATOM 878 CD PRO A 58 -2.360 13.900 -0.937 1.00 0.00 C ATOM 0 HA PRO A 58 -3.643 16.769 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.248 16.663 0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.576 15.821 -0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.035 14.688 1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.588 13.903 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.325 13.570 -0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.952 13.022 -1.194 1.00 0.00 H new ATOM 886 N GLY A 59 -1.763 18.330 -1.891 1.00 0.00 N ATOM 887 CA GLY A 59 -0.626 19.290 -1.789 1.00 0.00 C ATOM 888 C GLY A 59 0.474 18.887 -2.771 1.00 0.00 C ATOM 889 O GLY A 59 0.207 18.401 -3.852 1.00 0.00 O ATOM 0 H GLY A 59 -2.537 18.635 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.970 20.301 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.234 19.299 -0.772 1.00 0.00 H new ATOM 893 N MET A 60 1.712 19.083 -2.404 1.00 0.00 N ATOM 894 CA MET A 60 2.826 18.707 -3.318 1.00 0.00 C ATOM 895 C MET A 60 3.217 17.249 -3.069 1.00 0.00 C ATOM 896 O MET A 60 2.435 16.464 -2.571 1.00 0.00 O ATOM 897 CB MET A 60 4.032 19.612 -3.054 1.00 0.00 C ATOM 898 CG MET A 60 3.598 21.076 -3.145 1.00 0.00 C ATOM 899 SD MET A 60 4.805 22.116 -2.286 1.00 0.00 S ATOM 900 CE MET A 60 4.454 23.650 -3.181 1.00 0.00 C ATOM 0 H MET A 60 1.999 19.487 -1.512 1.00 0.00 H new ATOM 0 HA MET A 60 2.504 18.826 -4.353 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.447 19.405 -2.068 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.819 19.409 -3.780 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.518 21.379 -4.189 1.00 0.00 H new ATOM 0 HG3 MET A 60 2.611 21.202 -2.700 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.099 24.445 -2.807 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.641 23.502 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.411 23.928 -3.031 1.00 0.00 H new ATOM 910 N ASP A 61 4.420 16.879 -3.412 1.00 0.00 N ATOM 911 CA ASP A 61 4.856 15.471 -3.197 1.00 0.00 C ATOM 912 C ASP A 61 4.017 14.540 -4.074 1.00 0.00 C ATOM 913 O ASP A 61 3.148 14.975 -4.803 1.00 0.00 O ATOM 914 CB ASP A 61 4.666 15.094 -1.725 1.00 0.00 C ATOM 915 CG ASP A 61 5.343 16.138 -0.836 1.00 0.00 C ATOM 916 OD1 ASP A 61 6.528 16.365 -1.019 1.00 0.00 O ATOM 917 OD2 ASP A 61 4.666 16.693 0.014 1.00 0.00 O ATOM 0 H ASP A 61 5.120 17.491 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 61 5.909 15.372 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.604 15.034 -1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.091 14.109 -1.534 1.00 0.00 H new ATOM 922 N GLY A 62 4.270 13.262 -4.009 1.00 0.00 N ATOM 923 CA GLY A 62 3.487 12.302 -4.840 1.00 0.00 C ATOM 924 C GLY A 62 3.661 10.887 -4.286 1.00 0.00 C ATOM 925 O GLY A 62 4.277 10.040 -4.902 1.00 0.00 O ATOM 0 H GLY A 62 4.985 12.840 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.433 12.578 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.824 12.342 -5.876 1.00 0.00 H new ATOM 929 N LEU A 63 3.124 10.624 -3.127 1.00 0.00 N ATOM 930 CA LEU A 63 3.259 9.264 -2.534 1.00 0.00 C ATOM 931 C LEU A 63 4.739 8.953 -2.298 1.00 0.00 C ATOM 932 O LEU A 63 5.425 8.459 -3.170 1.00 0.00 O ATOM 933 CB LEU A 63 2.670 8.229 -3.493 1.00 0.00 C ATOM 934 CG LEU A 63 1.267 8.663 -3.916 1.00 0.00 C ATOM 935 CD1 LEU A 63 1.251 8.937 -5.421 1.00 0.00 C ATOM 936 CD2 LEU A 63 0.271 7.548 -3.590 1.00 0.00 C ATOM 0 H LEU A 63 2.597 11.292 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 63 2.724 9.228 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.309 8.125 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.630 7.252 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 63 0.988 9.569 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.251 9.247 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.962 9.729 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.529 8.030 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.731 7.855 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.550 6.642 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.283 7.351 -2.518 1.00 0.00 H new ATOM 948 N ALA A 64 5.235 9.236 -1.125 1.00 0.00 N ATOM 949 CA ALA A 64 6.668 8.953 -0.833 1.00 0.00 C ATOM 950 C ALA A 64 6.792 7.552 -0.233 1.00 0.00 C ATOM 951 O ALA A 64 7.812 7.189 0.319 1.00 0.00 O ATOM 952 CB ALA A 64 7.200 9.984 0.164 1.00 0.00 C ATOM 0 H ALA A 64 4.709 9.651 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 64 7.247 9.010 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.249 9.776 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.107 10.983 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.624 9.928 1.088 1.00 0.00 H new ATOM 958 N LEU A 65 5.760 6.762 -0.339 1.00 0.00 N ATOM 959 CA LEU A 65 5.814 5.385 0.224 1.00 0.00 C ATOM 960 C LEU A 65 6.075 4.387 -0.903 1.00 0.00 C ATOM 961 O LEU A 65 5.913 3.197 -0.734 1.00 0.00 O ATOM 962 CB LEU A 65 4.480 5.049 0.898 1.00 0.00 C ATOM 963 CG LEU A 65 3.996 6.234 1.745 1.00 0.00 C ATOM 964 CD1 LEU A 65 5.182 6.904 2.446 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.294 7.254 0.845 1.00 0.00 C ATOM 0 H LEU A 65 4.881 7.011 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 65 6.616 5.328 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.734 4.806 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.595 4.167 1.528 1.00 0.00 H new ATOM 0 HG LEU A 65 3.299 5.868 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.825 7.743 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.677 6.181 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.889 7.265 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.951 8.095 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.991 7.611 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.440 6.783 0.359 1.00 0.00 H new ATOM 977 N LEU A 66 6.483 4.859 -2.049 1.00 0.00 N ATOM 978 CA LEU A 66 6.757 3.925 -3.176 1.00 0.00 C ATOM 979 C LEU A 66 7.943 3.035 -2.806 1.00 0.00 C ATOM 980 O LEU A 66 7.806 1.838 -2.650 1.00 0.00 O ATOM 981 CB LEU A 66 7.082 4.723 -4.441 1.00 0.00 C ATOM 982 CG LEU A 66 6.362 4.098 -5.638 1.00 0.00 C ATOM 983 CD1 LEU A 66 6.705 2.609 -5.722 1.00 0.00 C ATOM 984 CD2 LEU A 66 4.850 4.261 -5.466 1.00 0.00 C ATOM 0 H LEU A 66 6.638 5.846 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 66 5.879 3.307 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.773 5.761 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.158 4.729 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 66 6.682 4.597 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.192 2.165 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.782 2.490 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.386 2.110 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.337 3.816 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.532 3.762 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.603 5.321 -5.407 1.00 0.00 H new ATOM 996 N LYS A 67 9.106 3.609 -2.648 1.00 0.00 N ATOM 997 CA LYS A 67 10.287 2.785 -2.271 1.00 0.00 C ATOM 998 C LYS A 67 9.889 1.862 -1.116 1.00 0.00 C ATOM 999 O LYS A 67 10.441 0.794 -0.942 1.00 0.00 O ATOM 1000 CB LYS A 67 11.434 3.702 -1.837 1.00 0.00 C ATOM 1001 CG LYS A 67 12.753 2.927 -1.883 1.00 0.00 C ATOM 1002 CD LYS A 67 13.766 3.689 -2.742 1.00 0.00 C ATOM 1003 CE LYS A 67 14.793 4.376 -1.840 1.00 0.00 C ATOM 1004 NZ LYS A 67 15.910 3.434 -1.551 1.00 0.00 N ATOM 0 H LYS A 67 9.287 4.606 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 67 10.617 2.189 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.487 4.571 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.254 4.075 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.144 2.794 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.588 1.931 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.268 3.003 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.253 4.430 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.176 5.273 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.321 4.694 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.608 3.901 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.537 2.590 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.366 3.152 -2.442 1.00 0.00 H new ATOM 1018 N GLN A 68 8.916 2.260 -0.339 1.00 0.00 N ATOM 1019 CA GLN A 68 8.460 1.402 0.792 1.00 0.00 C ATOM 1020 C GLN A 68 7.836 0.131 0.204 1.00 0.00 C ATOM 1021 O GLN A 68 8.284 -0.971 0.459 1.00 0.00 O ATOM 1022 CB GLN A 68 7.433 2.198 1.633 1.00 0.00 C ATOM 1023 CG GLN A 68 6.245 1.324 2.068 1.00 0.00 C ATOM 1024 CD GLN A 68 5.813 1.721 3.482 1.00 0.00 C ATOM 1025 OE1 GLN A 68 5.309 0.903 4.226 1.00 0.00 O ATOM 1026 NE2 GLN A 68 5.987 2.950 3.886 1.00 0.00 N ATOM 0 H GLN A 68 8.417 3.144 -0.440 1.00 0.00 H new ATOM 0 HA GLN A 68 9.289 1.119 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.925 2.606 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.067 3.045 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.414 1.448 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.526 0.271 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.410 3.637 3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.700 3.223 4.826 1.00 0.00 H new ATOM 1035 N ILE A 69 6.798 0.295 -0.571 1.00 0.00 N ATOM 1036 CA ILE A 69 6.101 -0.865 -1.196 1.00 0.00 C ATOM 1037 C ILE A 69 7.106 -1.980 -1.526 1.00 0.00 C ATOM 1038 O ILE A 69 6.974 -3.102 -1.077 1.00 0.00 O ATOM 1039 CB ILE A 69 5.414 -0.377 -2.482 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.038 0.202 -2.140 1.00 0.00 C ATOM 1041 CG2 ILE A 69 5.231 -1.536 -3.458 1.00 0.00 C ATOM 1042 CD1 ILE A 69 3.990 1.676 -2.543 1.00 0.00 C ATOM 0 H ILE A 69 6.396 1.204 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 69 5.362 -1.270 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 69 6.040 0.388 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.258 -0.354 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.844 0.099 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.743 -1.175 -4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.205 -1.955 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.614 -2.307 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.011 2.088 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.760 2.226 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.165 1.766 -3.615 1.00 0.00 H new ATOM 1054 N LYS A 70 8.099 -1.680 -2.318 1.00 0.00 N ATOM 1055 CA LYS A 70 9.101 -2.724 -2.688 1.00 0.00 C ATOM 1056 C LYS A 70 9.786 -3.257 -1.427 1.00 0.00 C ATOM 1057 O LYS A 70 9.722 -4.432 -1.127 1.00 0.00 O ATOM 1058 CB LYS A 70 10.172 -2.128 -3.615 1.00 0.00 C ATOM 1059 CG LYS A 70 9.563 -1.076 -4.549 1.00 0.00 C ATOM 1060 CD LYS A 70 8.333 -1.652 -5.254 1.00 0.00 C ATOM 1061 CE LYS A 70 7.390 -0.513 -5.642 1.00 0.00 C ATOM 1062 NZ LYS A 70 6.662 -0.870 -6.892 1.00 0.00 N ATOM 0 H LYS A 70 8.261 -0.759 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 70 8.582 -3.534 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.964 -1.676 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.631 -2.922 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.284 -0.190 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.301 -0.761 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.636 -2.207 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.820 -2.356 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.680 -0.325 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.956 0.407 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.926 -0.159 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.331 -0.895 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.220 -1.805 -6.781 1.00 0.00 H new ATOM 1076 N GLN A 71 10.458 -2.396 -0.708 1.00 0.00 N ATOM 1077 CA GLN A 71 11.183 -2.820 0.529 1.00 0.00 C ATOM 1078 C GLN A 71 10.450 -3.961 1.243 1.00 0.00 C ATOM 1079 O GLN A 71 11.065 -4.820 1.843 1.00 0.00 O ATOM 1080 CB GLN A 71 11.286 -1.625 1.478 1.00 0.00 C ATOM 1081 CG GLN A 71 12.612 -0.898 1.243 1.00 0.00 C ATOM 1082 CD GLN A 71 13.773 -1.821 1.617 1.00 0.00 C ATOM 1083 OE1 GLN A 71 14.008 -2.080 2.780 1.00 0.00 O ATOM 1084 NE2 GLN A 71 14.515 -2.330 0.672 1.00 0.00 N ATOM 0 H GLN A 71 10.537 -1.403 -0.928 1.00 0.00 H new ATOM 0 HA GLN A 71 12.173 -3.174 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.451 -0.943 1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.223 -1.962 2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.694 -0.598 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.650 0.013 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.317 -2.112 -0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.293 -2.946 0.910 1.00 0.00 H new ATOM 1093 N ARG A 72 9.144 -3.976 1.207 1.00 0.00 N ATOM 1094 CA ARG A 72 8.401 -5.064 1.912 1.00 0.00 C ATOM 1095 C ARG A 72 8.315 -6.320 1.037 1.00 0.00 C ATOM 1096 O ARG A 72 9.175 -7.178 1.083 1.00 0.00 O ATOM 1097 CB ARG A 72 6.991 -4.589 2.249 1.00 0.00 C ATOM 1098 CG ARG A 72 6.908 -4.231 3.736 1.00 0.00 C ATOM 1099 CD ARG A 72 7.191 -2.740 3.924 1.00 0.00 C ATOM 1100 NE ARG A 72 7.216 -2.423 5.379 1.00 0.00 N ATOM 1101 CZ ARG A 72 7.457 -1.205 5.778 1.00 0.00 C ATOM 1102 NH1 ARG A 72 8.605 -0.644 5.513 1.00 0.00 N ATOM 1103 NH2 ARG A 72 6.550 -0.547 6.447 1.00 0.00 N ATOM 0 H ARG A 72 8.563 -3.290 0.725 1.00 0.00 H new ATOM 0 HA ARG A 72 8.939 -5.309 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.734 -3.721 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.268 -5.369 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.919 -4.475 4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.627 -4.822 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.145 -2.479 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.425 -2.147 3.424 1.00 0.00 H new ATOM 0 HE ARG A 72 7.044 -3.159 6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.316 -1.158 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.791 0.309 5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.653 -0.985 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.738 0.406 6.759 1.00 0.00 H new ATOM 1117 N HIS A 73 7.275 -6.449 0.252 1.00 0.00 N ATOM 1118 CA HIS A 73 7.134 -7.664 -0.603 1.00 0.00 C ATOM 1119 C HIS A 73 8.213 -7.648 -1.692 1.00 0.00 C ATOM 1120 O HIS A 73 8.679 -6.597 -2.085 1.00 0.00 O ATOM 1121 CB HIS A 73 5.724 -7.700 -1.222 1.00 0.00 C ATOM 1122 CG HIS A 73 5.340 -6.352 -1.764 1.00 0.00 C ATOM 1123 ND1 HIS A 73 6.116 -5.679 -2.693 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.245 -5.554 -1.537 1.00 0.00 C ATOM 1125 CE1 HIS A 73 5.486 -4.530 -2.988 1.00 0.00 C ATOM 1126 NE2 HIS A 73 4.342 -4.402 -2.312 1.00 0.00 N ATOM 0 H HIS A 73 6.521 -5.768 0.167 1.00 0.00 H new ATOM 0 HA HIS A 73 7.265 -8.562 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.693 -8.440 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.000 -8.013 -0.469 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.003 -5.998 -3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.434 -5.785 -0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.860 -3.798 -3.688 1.00 0.00 H new ATOM 1134 N PRO A 74 8.596 -8.823 -2.133 1.00 0.00 N ATOM 1135 CA PRO A 74 9.651 -8.880 -3.172 1.00 0.00 C ATOM 1136 C PRO A 74 9.323 -7.931 -4.329 1.00 0.00 C ATOM 1137 O PRO A 74 8.339 -7.219 -4.300 1.00 0.00 O ATOM 1138 CB PRO A 74 9.664 -10.339 -3.634 1.00 0.00 C ATOM 1139 CG PRO A 74 8.289 -10.917 -3.270 1.00 0.00 C ATOM 1140 CD PRO A 74 7.733 -10.033 -2.143 1.00 0.00 C ATOM 0 HA PRO A 74 10.624 -8.567 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.842 -10.406 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.462 -10.895 -3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.624 -10.910 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.377 -11.953 -2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.691 -9.771 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.768 -10.550 -1.184 1.00 0.00 H new ATOM 1148 N MET A 75 10.149 -7.903 -5.341 1.00 0.00 N ATOM 1149 CA MET A 75 9.891 -6.986 -6.488 1.00 0.00 C ATOM 1150 C MET A 75 8.940 -7.646 -7.487 1.00 0.00 C ATOM 1151 O MET A 75 9.239 -7.763 -8.659 1.00 0.00 O ATOM 1152 CB MET A 75 11.214 -6.654 -7.182 1.00 0.00 C ATOM 1153 CG MET A 75 11.817 -7.928 -7.777 1.00 0.00 C ATOM 1154 SD MET A 75 13.623 -7.789 -7.792 1.00 0.00 S ATOM 1155 CE MET A 75 13.913 -8.419 -6.120 1.00 0.00 C ATOM 0 H MET A 75 10.990 -8.475 -5.422 1.00 0.00 H new ATOM 0 HA MET A 75 9.432 -6.070 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A 75 11.049 -5.917 -7.968 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.909 -6.210 -6.469 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.513 -8.795 -7.191 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.445 -8.081 -8.790 1.00 0.00 H new ATOM 0 HE1 MET A 75 14.983 -8.421 -5.912 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.404 -7.781 -5.397 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.526 -9.435 -6.042 1.00 0.00 H new ATOM 1165 N LEU A 76 7.786 -8.059 -7.041 1.00 0.00 N ATOM 1166 CA LEU A 76 6.812 -8.689 -7.972 1.00 0.00 C ATOM 1167 C LEU A 76 6.269 -7.594 -8.908 1.00 0.00 C ATOM 1168 O LEU A 76 6.376 -6.424 -8.604 1.00 0.00 O ATOM 1169 CB LEU A 76 5.691 -9.336 -7.149 1.00 0.00 C ATOM 1170 CG LEU A 76 4.871 -8.253 -6.454 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.392 -8.416 -6.811 1.00 0.00 C ATOM 1172 CD2 LEU A 76 5.047 -8.393 -4.943 1.00 0.00 C ATOM 0 H LEU A 76 7.476 -7.987 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 76 7.279 -9.466 -8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.049 -9.932 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.115 -10.015 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 76 5.211 -7.270 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.810 -7.641 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.266 -8.327 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.045 -9.396 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.465 -7.623 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.702 -9.377 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.100 -8.279 -4.687 1.00 0.00 H new ATOM 1184 N PRO A 77 5.753 -8.002 -10.039 1.00 0.00 N ATOM 1185 CA PRO A 77 5.269 -6.996 -11.012 1.00 0.00 C ATOM 1186 C PRO A 77 4.444 -5.878 -10.348 1.00 0.00 C ATOM 1187 O PRO A 77 3.600 -6.105 -9.495 1.00 0.00 O ATOM 1188 CB PRO A 77 4.425 -7.794 -12.005 1.00 0.00 C ATOM 1189 CG PRO A 77 3.998 -9.080 -11.277 1.00 0.00 C ATOM 1190 CD PRO A 77 4.913 -9.225 -10.053 1.00 0.00 C ATOM 0 HA PRO A 77 6.100 -6.477 -11.490 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.554 -7.221 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.998 -8.028 -12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.953 -9.023 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.092 -9.945 -11.934 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.331 -9.312 -9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.527 -10.122 -10.126 1.00 0.00 H new ATOM 1198 N VAL A 78 4.698 -4.664 -10.761 1.00 0.00 N ATOM 1199 CA VAL A 78 3.968 -3.489 -10.210 1.00 0.00 C ATOM 1200 C VAL A 78 3.788 -2.471 -11.334 1.00 0.00 C ATOM 1201 O VAL A 78 4.242 -2.674 -12.443 1.00 0.00 O ATOM 1202 CB VAL A 78 4.771 -2.849 -9.071 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.073 -3.123 -7.742 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.187 -3.428 -9.017 1.00 0.00 C ATOM 0 H VAL A 78 5.394 -4.435 -11.471 1.00 0.00 H new ATOM 0 HA VAL A 78 3.002 -3.807 -9.818 1.00 0.00 H new ATOM 0 HB VAL A 78 4.833 -1.776 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.643 -2.669 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.070 -2.697 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.007 -4.199 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.740 -2.961 -8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.134 -4.504 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.696 -3.232 -9.961 1.00 0.00 H new ATOM 1214 N ILE A 79 3.133 -1.380 -11.067 1.00 0.00 N ATOM 1215 CA ILE A 79 2.942 -0.360 -12.138 1.00 0.00 C ATOM 1216 C ILE A 79 2.643 1.007 -11.519 1.00 0.00 C ATOM 1217 O ILE A 79 1.664 1.188 -10.822 1.00 0.00 O ATOM 1218 CB ILE A 79 1.781 -0.773 -13.043 1.00 0.00 C ATOM 1219 CG1 ILE A 79 2.128 -2.082 -13.754 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.535 0.319 -14.084 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.048 -2.402 -14.788 1.00 0.00 C ATOM 0 H ILE A 79 2.723 -1.148 -10.162 1.00 0.00 H new ATOM 0 HA ILE A 79 3.857 -0.293 -12.726 1.00 0.00 H new ATOM 0 HB ILE A 79 0.883 -0.913 -12.441 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.099 -1.997 -14.241 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.204 -2.893 -13.029 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.707 0.026 -14.730 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.288 1.253 -13.580 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.433 0.457 -14.685 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.295 -3.335 -15.295 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.085 -2.504 -14.288 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.994 -1.595 -15.519 1.00 0.00 H new ATOM 1233 N ILE A 80 3.478 1.976 -11.784 1.00 0.00 N ATOM 1234 CA ILE A 80 3.247 3.341 -11.232 1.00 0.00 C ATOM 1235 C ILE A 80 2.822 4.269 -12.372 1.00 0.00 C ATOM 1236 O ILE A 80 3.467 4.338 -13.399 1.00 0.00 O ATOM 1237 CB ILE A 80 4.541 3.863 -10.600 1.00 0.00 C ATOM 1238 CG1 ILE A 80 5.080 2.827 -9.612 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.259 5.174 -9.861 1.00 0.00 C ATOM 1240 CD1 ILE A 80 6.550 3.122 -9.308 1.00 0.00 C ATOM 0 H ILE A 80 4.313 1.880 -12.361 1.00 0.00 H new ATOM 0 HA ILE A 80 2.466 3.307 -10.472 1.00 0.00 H new ATOM 0 HB ILE A 80 5.280 4.040 -11.382 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.496 2.850 -8.692 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.979 1.825 -10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.181 5.544 -9.412 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.876 5.913 -10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.519 4.999 -9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.931 2.382 -8.604 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.129 3.077 -10.231 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.639 4.117 -8.872 1.00 0.00 H new ATOM 1252 N MET A 81 1.737 4.978 -12.209 1.00 0.00 N ATOM 1253 CA MET A 81 1.278 5.891 -13.295 1.00 0.00 C ATOM 1254 C MET A 81 2.392 6.879 -13.646 1.00 0.00 C ATOM 1255 O MET A 81 3.428 6.915 -13.012 1.00 0.00 O ATOM 1256 CB MET A 81 0.038 6.660 -12.837 1.00 0.00 C ATOM 1257 CG MET A 81 -1.216 5.984 -13.397 1.00 0.00 C ATOM 1258 SD MET A 81 -2.537 6.040 -12.162 1.00 0.00 S ATOM 1259 CE MET A 81 -2.399 4.323 -11.610 1.00 0.00 C ATOM 0 H MET A 81 1.151 4.965 -11.374 1.00 0.00 H new ATOM 0 HA MET A 81 1.030 5.299 -14.176 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.005 6.686 -11.748 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.091 7.694 -13.179 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.536 6.487 -14.310 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.996 4.950 -13.663 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.387 3.945 -11.345 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.981 3.715 -12.413 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.746 4.272 -10.739 1.00 0.00 H new ATOM 1269 N THR A 82 2.190 7.675 -14.661 1.00 0.00 N ATOM 1270 CA THR A 82 3.238 8.655 -15.065 1.00 0.00 C ATOM 1271 C THR A 82 3.644 9.519 -13.868 1.00 0.00 C ATOM 1272 O THR A 82 4.694 9.328 -13.286 1.00 0.00 O ATOM 1273 CB THR A 82 2.693 9.554 -16.177 1.00 0.00 C ATOM 1274 OG1 THR A 82 1.278 9.455 -16.213 1.00 0.00 O ATOM 1275 CG2 THR A 82 3.275 9.114 -17.520 1.00 0.00 C ATOM 0 H THR A 82 1.343 7.689 -15.229 1.00 0.00 H new ATOM 0 HA THR A 82 4.112 8.111 -15.424 1.00 0.00 H new ATOM 0 HB THR A 82 2.978 10.588 -15.983 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.928 10.032 -16.924 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.887 9.754 -18.312 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.362 9.193 -17.489 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.992 8.080 -17.718 1.00 0.00 H new ATOM 1283 N ALA A 83 2.825 10.473 -13.506 1.00 0.00 N ATOM 1284 CA ALA A 83 3.160 11.360 -12.354 1.00 0.00 C ATOM 1285 C ALA A 83 4.131 12.451 -12.810 1.00 0.00 C ATOM 1286 O ALA A 83 4.760 12.345 -13.844 1.00 0.00 O ATOM 1287 CB ALA A 83 3.807 10.541 -11.235 1.00 0.00 C ATOM 0 H ALA A 83 1.935 10.676 -13.961 1.00 0.00 H new ATOM 0 HA ALA A 83 2.244 11.818 -11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.049 11.196 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.114 9.768 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.720 10.075 -11.606 1.00 0.00 H new ATOM 1293 N HIS A 84 4.255 13.501 -12.043 1.00 0.00 N ATOM 1294 CA HIS A 84 5.183 14.602 -12.428 1.00 0.00 C ATOM 1295 C HIS A 84 6.250 14.772 -11.342 1.00 0.00 C ATOM 1296 O HIS A 84 7.311 15.311 -11.583 1.00 0.00 O ATOM 1297 CB HIS A 84 4.391 15.903 -12.577 1.00 0.00 C ATOM 1298 CG HIS A 84 5.294 16.993 -13.088 1.00 0.00 C ATOM 1299 ND1 HIS A 84 6.187 16.787 -14.128 1.00 0.00 N ATOM 1300 CD2 HIS A 84 5.449 18.305 -12.715 1.00 0.00 C ATOM 1301 CE1 HIS A 84 6.831 17.947 -14.346 1.00 0.00 C ATOM 1302 NE2 HIS A 84 6.421 18.906 -13.510 1.00 0.00 N ATOM 0 H HIS A 84 3.753 13.643 -11.166 1.00 0.00 H new ATOM 0 HA HIS A 84 5.666 14.360 -13.375 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.558 15.756 -13.265 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.964 16.192 -11.617 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.900 18.796 -11.925 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.587 18.087 -15.104 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.750 19.871 -13.464 1.00 0.00 H new ATOM 1310 N SER A 85 5.976 14.318 -10.148 1.00 0.00 N ATOM 1311 CA SER A 85 6.976 14.458 -9.051 1.00 0.00 C ATOM 1312 C SER A 85 7.295 13.082 -8.464 1.00 0.00 C ATOM 1313 O SER A 85 7.818 12.971 -7.372 1.00 0.00 O ATOM 1314 CB SER A 85 6.411 15.358 -7.953 1.00 0.00 C ATOM 1315 OG SER A 85 6.209 16.666 -8.472 1.00 0.00 O ATOM 0 H SER A 85 5.105 13.857 -9.886 1.00 0.00 H new ATOM 0 HA SER A 85 7.887 14.901 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.469 14.952 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.097 15.393 -7.107 1.00 0.00 H new ATOM 0 HG SER A 85 5.845 17.244 -7.769 1.00 0.00 H new ATOM 1321 N ASP A 86 6.990 12.033 -9.176 1.00 0.00 N ATOM 1322 CA ASP A 86 7.283 10.670 -8.651 1.00 0.00 C ATOM 1323 C ASP A 86 8.613 10.182 -9.230 1.00 0.00 C ATOM 1324 O ASP A 86 9.215 9.256 -8.724 1.00 0.00 O ATOM 1325 CB ASP A 86 6.164 9.710 -9.060 1.00 0.00 C ATOM 1326 CG ASP A 86 5.706 8.907 -7.840 1.00 0.00 C ATOM 1327 OD1 ASP A 86 6.248 9.128 -6.770 1.00 0.00 O ATOM 1328 OD2 ASP A 86 4.822 8.081 -7.998 1.00 0.00 O ATOM 0 H ASP A 86 6.552 12.060 -10.097 1.00 0.00 H new ATOM 0 HA ASP A 86 7.347 10.704 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.326 10.269 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.517 9.036 -9.841 1.00 0.00 H new ATOM 1333 N LEU A 87 9.056 10.793 -10.299 1.00 0.00 N ATOM 1334 CA LEU A 87 10.339 10.379 -10.948 1.00 0.00 C ATOM 1335 C LEU A 87 11.363 9.927 -9.899 1.00 0.00 C ATOM 1336 O LEU A 87 12.213 9.106 -10.170 1.00 0.00 O ATOM 1337 CB LEU A 87 10.914 11.568 -11.720 1.00 0.00 C ATOM 1338 CG LEU A 87 11.685 11.060 -12.939 1.00 0.00 C ATOM 1339 CD1 LEU A 87 11.630 12.107 -14.052 1.00 0.00 C ATOM 1340 CD2 LEU A 87 13.143 10.811 -12.549 1.00 0.00 C ATOM 0 H LEU A 87 8.579 11.570 -10.756 1.00 0.00 H new ATOM 0 HA LEU A 87 10.135 9.546 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.110 12.233 -12.036 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.574 12.149 -11.075 1.00 0.00 H new ATOM 0 HG LEU A 87 11.236 10.131 -13.291 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.180 11.744 -14.920 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.592 12.289 -14.330 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.079 13.036 -13.700 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.695 10.449 -13.416 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.590 11.741 -12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.185 10.065 -11.755 1.00 0.00 H new ATOM 1352 N ASP A 88 11.298 10.462 -8.710 1.00 0.00 N ATOM 1353 CA ASP A 88 12.276 10.062 -7.658 1.00 0.00 C ATOM 1354 C ASP A 88 11.994 8.626 -7.204 1.00 0.00 C ATOM 1355 O ASP A 88 12.847 7.764 -7.278 1.00 0.00 O ATOM 1356 CB ASP A 88 12.150 11.011 -6.464 1.00 0.00 C ATOM 1357 CG ASP A 88 13.388 10.881 -5.575 1.00 0.00 C ATOM 1358 OD1 ASP A 88 14.376 11.533 -5.872 1.00 0.00 O ATOM 1359 OD2 ASP A 88 13.326 10.133 -4.614 1.00 0.00 O ATOM 0 H ASP A 88 10.611 11.158 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 88 13.286 10.115 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.046 12.039 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.252 10.776 -5.892 1.00 0.00 H new ATOM 1364 N ALA A 89 10.806 8.363 -6.730 1.00 0.00 N ATOM 1365 CA ALA A 89 10.470 6.985 -6.267 1.00 0.00 C ATOM 1366 C ALA A 89 10.486 6.022 -7.456 1.00 0.00 C ATOM 1367 O ALA A 89 10.527 4.819 -7.289 1.00 0.00 O ATOM 1368 CB ALA A 89 9.076 6.989 -5.636 1.00 0.00 C ATOM 0 H ALA A 89 10.052 9.044 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 89 11.206 6.661 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.827 5.983 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.063 7.672 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.343 7.314 -6.375 1.00 0.00 H new ATOM 1374 N ALA A 90 10.452 6.537 -8.655 1.00 0.00 N ATOM 1375 CA ALA A 90 10.465 5.643 -9.848 1.00 0.00 C ATOM 1376 C ALA A 90 11.906 5.248 -10.171 1.00 0.00 C ATOM 1377 O ALA A 90 12.189 4.113 -10.498 1.00 0.00 O ATOM 1378 CB ALA A 90 9.858 6.380 -11.044 1.00 0.00 C ATOM 0 H ALA A 90 10.416 7.536 -8.860 1.00 0.00 H new ATOM 0 HA ALA A 90 9.880 4.747 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.867 5.727 -11.917 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.831 6.663 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.443 7.275 -11.255 1.00 0.00 H new ATOM 1384 N VAL A 91 12.812 6.190 -10.099 1.00 0.00 N ATOM 1385 CA VAL A 91 14.247 5.911 -10.410 1.00 0.00 C ATOM 1386 C VAL A 91 14.634 4.507 -9.937 1.00 0.00 C ATOM 1387 O VAL A 91 15.508 3.874 -10.494 1.00 0.00 O ATOM 1388 CB VAL A 91 15.120 6.941 -9.689 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.586 6.502 -9.747 1.00 0.00 C ATOM 1390 CG2 VAL A 91 14.970 8.300 -10.377 1.00 0.00 C ATOM 0 H VAL A 91 12.615 7.155 -9.834 1.00 0.00 H new ATOM 0 HA VAL A 91 14.397 5.974 -11.488 1.00 0.00 H new ATOM 0 HB VAL A 91 14.806 7.019 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.206 7.236 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.695 5.532 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.902 6.425 -10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.590 9.037 -9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.286 8.218 -11.417 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.927 8.614 -10.338 1.00 0.00 H new ATOM 1400 N SER A 92 13.996 4.017 -8.909 1.00 0.00 N ATOM 1401 CA SER A 92 14.333 2.658 -8.396 1.00 0.00 C ATOM 1402 C SER A 92 13.651 1.577 -9.248 1.00 0.00 C ATOM 1403 O SER A 92 13.311 0.519 -8.756 1.00 0.00 O ATOM 1404 CB SER A 92 13.857 2.540 -6.950 1.00 0.00 C ATOM 1405 OG SER A 92 14.065 1.210 -6.493 1.00 0.00 O ATOM 0 H SER A 92 13.255 4.500 -8.401 1.00 0.00 H new ATOM 0 HA SER A 92 15.412 2.515 -8.449 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.400 3.243 -6.318 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.801 2.799 -6.881 1.00 0.00 H new ATOM 0 HG SER A 92 13.598 0.584 -7.085 1.00 0.00 H new ATOM 1411 N ALA A 93 13.460 1.819 -10.518 1.00 0.00 N ATOM 1412 CA ALA A 93 12.819 0.792 -11.384 1.00 0.00 C ATOM 1413 C ALA A 93 13.891 0.170 -12.279 1.00 0.00 C ATOM 1414 O ALA A 93 14.065 -1.032 -12.313 1.00 0.00 O ATOM 1415 CB ALA A 93 11.739 1.445 -12.250 1.00 0.00 C ATOM 0 H ALA A 93 13.721 2.684 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 93 12.357 0.022 -10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.273 0.689 -12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.983 1.898 -11.609 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.191 2.214 -12.877 1.00 0.00 H new ATOM 1421 N TYR A 94 14.624 0.982 -12.994 1.00 0.00 N ATOM 1422 CA TYR A 94 15.697 0.440 -13.871 1.00 0.00 C ATOM 1423 C TYR A 94 16.692 -0.335 -13.008 1.00 0.00 C ATOM 1424 O TYR A 94 17.377 -1.226 -13.470 1.00 0.00 O ATOM 1425 CB TYR A 94 16.426 1.597 -14.565 1.00 0.00 C ATOM 1426 CG TYR A 94 15.507 2.282 -15.557 1.00 0.00 C ATOM 1427 CD1 TYR A 94 14.175 1.865 -15.700 1.00 0.00 C ATOM 1428 CD2 TYR A 94 15.994 3.341 -16.335 1.00 0.00 C ATOM 1429 CE1 TYR A 94 13.336 2.506 -16.620 1.00 0.00 C ATOM 1430 CE2 TYR A 94 15.153 3.980 -17.254 1.00 0.00 C ATOM 1431 CZ TYR A 94 13.825 3.563 -17.397 1.00 0.00 C ATOM 1432 OH TYR A 94 12.996 4.196 -18.301 1.00 0.00 O ATOM 0 H TYR A 94 14.524 1.997 -13.007 1.00 0.00 H new ATOM 0 HA TYR A 94 15.262 -0.217 -14.624 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.770 2.316 -13.822 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.311 1.222 -15.079 1.00 0.00 H new ATOM 0 HD1 TYR A 94 13.797 1.050 -15.101 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.019 3.664 -16.226 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.311 2.185 -16.730 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.530 4.796 -17.853 1.00 0.00 H new ATOM 0 HH TYR A 94 13.492 4.908 -18.757 1.00 0.00 H new ATOM 1442 N GLN A 95 16.772 0.003 -11.749 1.00 0.00 N ATOM 1443 CA GLN A 95 17.716 -0.702 -10.841 1.00 0.00 C ATOM 1444 C GLN A 95 17.037 -1.948 -10.269 1.00 0.00 C ATOM 1445 O GLN A 95 16.379 -1.896 -9.249 1.00 0.00 O ATOM 1446 CB GLN A 95 18.108 0.236 -9.697 1.00 0.00 C ATOM 1447 CG GLN A 95 18.815 -0.558 -8.596 1.00 0.00 C ATOM 1448 CD GLN A 95 20.175 -1.062 -9.093 1.00 0.00 C ATOM 1449 OE1 GLN A 95 20.633 -0.669 -10.253 1.00 0.00 O flip ATOM 1450 NE2 GLN A 95 20.834 -1.824 -8.414 1.00 0.00 N flip ATOM 0 H GLN A 95 16.221 0.741 -11.311 1.00 0.00 H new ATOM 0 HA GLN A 95 18.607 -0.997 -11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 95 18.764 1.024 -10.068 1.00 0.00 H new ATOM 0 HB3 GLN A 95 17.221 0.724 -9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 95 18.952 0.070 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 95 18.196 -1.402 -8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 95 20.482 -2.134 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 95 21.739 -2.154 -8.750 1.00 0.00 H new ATOM 1459 N GLN A 96 17.192 -3.068 -10.917 1.00 0.00 N ATOM 1460 CA GLN A 96 16.557 -4.318 -10.411 1.00 0.00 C ATOM 1461 C GLN A 96 15.107 -4.031 -10.016 1.00 0.00 C ATOM 1462 O GLN A 96 14.737 -4.125 -8.861 1.00 0.00 O ATOM 1463 CB GLN A 96 17.330 -4.825 -9.192 1.00 0.00 C ATOM 1464 CG GLN A 96 18.451 -5.760 -9.650 1.00 0.00 C ATOM 1465 CD GLN A 96 17.947 -7.204 -9.635 1.00 0.00 C ATOM 1466 OE1 GLN A 96 17.304 -7.645 -10.567 1.00 0.00 O ATOM 1467 NE2 GLN A 96 18.215 -7.964 -8.610 1.00 0.00 N ATOM 0 H GLN A 96 17.731 -3.173 -11.776 1.00 0.00 H new ATOM 0 HA GLN A 96 16.575 -5.077 -11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.747 -3.984 -8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.657 -5.351 -8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.779 -5.488 -10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.315 -5.658 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.755 -7.594 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.885 -8.929 -8.590 1.00 0.00 H new ATOM 1476 N GLY A 97 14.282 -3.686 -10.965 1.00 0.00 N ATOM 1477 CA GLY A 97 12.855 -3.396 -10.649 1.00 0.00 C ATOM 1478 C GLY A 97 11.957 -4.322 -11.470 1.00 0.00 C ATOM 1479 O GLY A 97 12.430 -5.148 -12.226 1.00 0.00 O ATOM 0 H GLY A 97 14.535 -3.592 -11.949 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.670 -3.541 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.625 -2.354 -10.874 1.00 0.00 H new ATOM 1483 N ALA A 98 10.665 -4.196 -11.329 1.00 0.00 N ATOM 1484 CA ALA A 98 9.748 -5.078 -12.105 1.00 0.00 C ATOM 1485 C ALA A 98 8.492 -4.301 -12.507 1.00 0.00 C ATOM 1486 O ALA A 98 7.399 -4.833 -12.507 1.00 0.00 O ATOM 1487 CB ALA A 98 9.347 -6.275 -11.242 1.00 0.00 C ATOM 0 H ALA A 98 10.207 -3.524 -10.713 1.00 0.00 H new ATOM 0 HA ALA A 98 10.259 -5.424 -13.004 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.676 -6.922 -11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.239 -6.835 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.840 -5.922 -10.344 1.00 0.00 H new ATOM 1493 N PHE A 99 8.632 -3.051 -12.855 1.00 0.00 N ATOM 1494 CA PHE A 99 7.435 -2.262 -13.261 1.00 0.00 C ATOM 1495 C PHE A 99 7.871 -1.014 -14.028 1.00 0.00 C ATOM 1496 O PHE A 99 8.771 -0.304 -13.624 1.00 0.00 O ATOM 1497 CB PHE A 99 6.636 -1.856 -12.021 1.00 0.00 C ATOM 1498 CG PHE A 99 7.555 -1.278 -10.972 1.00 0.00 C ATOM 1499 CD1 PHE A 99 8.362 -2.126 -10.208 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.586 0.105 -10.754 1.00 0.00 C ATOM 1501 CE1 PHE A 99 9.201 -1.594 -9.223 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.427 0.637 -9.771 1.00 0.00 C ATOM 1503 CZ PHE A 99 9.235 -0.212 -9.004 1.00 0.00 C ATOM 0 H PHE A 99 9.517 -2.545 -12.876 1.00 0.00 H new ATOM 0 HA PHE A 99 6.806 -2.875 -13.906 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.877 -1.123 -12.293 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.112 -2.723 -11.618 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.338 -3.192 -10.378 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.962 0.760 -11.344 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.823 -2.250 -8.631 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.453 1.704 -9.603 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.883 0.199 -8.245 1.00 0.00 H new ATOM 1513 N ASP A 100 7.238 -0.745 -15.138 1.00 0.00 N ATOM 1514 CA ASP A 100 7.612 0.453 -15.941 1.00 0.00 C ATOM 1515 C ASP A 100 6.655 1.605 -15.624 1.00 0.00 C ATOM 1516 O ASP A 100 6.012 1.626 -14.592 1.00 0.00 O ATOM 1517 CB ASP A 100 7.528 0.111 -17.430 1.00 0.00 C ATOM 1518 CG ASP A 100 6.084 -0.232 -17.799 1.00 0.00 C ATOM 1519 OD1 ASP A 100 5.226 -0.098 -16.942 1.00 0.00 O ATOM 1520 OD2 ASP A 100 5.860 -0.624 -18.933 1.00 0.00 O ATOM 0 H ASP A 100 6.477 -1.304 -15.523 1.00 0.00 H new ATOM 0 HA ASP A 100 8.630 0.754 -15.693 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.876 0.954 -18.027 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.182 -0.731 -17.657 1.00 0.00 H new ATOM 1525 N TYR A 101 6.561 2.567 -16.500 1.00 0.00 N ATOM 1526 CA TYR A 101 5.652 3.721 -16.246 1.00 0.00 C ATOM 1527 C TYR A 101 4.351 3.544 -17.033 1.00 0.00 C ATOM 1528 O TYR A 101 4.355 3.131 -18.176 1.00 0.00 O ATOM 1529 CB TYR A 101 6.339 5.016 -16.689 1.00 0.00 C ATOM 1530 CG TYR A 101 7.571 5.247 -15.850 1.00 0.00 C ATOM 1531 CD1 TYR A 101 8.640 4.343 -15.908 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.647 6.367 -15.013 1.00 0.00 C ATOM 1533 CE1 TYR A 101 9.783 4.559 -15.129 1.00 0.00 C ATOM 1534 CE2 TYR A 101 8.790 6.583 -14.235 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.857 5.679 -14.293 1.00 0.00 C ATOM 1536 OH TYR A 101 10.984 5.892 -13.526 1.00 0.00 O ATOM 0 H TYR A 101 7.074 2.604 -17.381 1.00 0.00 H new ATOM 0 HA TYR A 101 5.424 3.769 -15.181 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.611 4.953 -17.743 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.653 5.857 -16.586 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.582 3.479 -16.554 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.823 7.064 -14.968 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.607 3.862 -15.173 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.849 7.447 -13.590 1.00 0.00 H new ATOM 0 HH TYR A 101 11.112 6.854 -13.394 1.00 0.00 H new ATOM 1546 N LEU A 102 3.237 3.862 -16.429 1.00 0.00 N ATOM 1547 CA LEU A 102 1.933 3.722 -17.137 1.00 0.00 C ATOM 1548 C LEU A 102 1.444 5.109 -17.561 1.00 0.00 C ATOM 1549 O LEU A 102 1.242 5.975 -16.733 1.00 0.00 O ATOM 1550 CB LEU A 102 0.907 3.085 -16.195 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.354 2.713 -16.979 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.065 1.506 -17.873 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.477 2.359 -16.001 1.00 0.00 C ATOM 0 H LEU A 102 3.175 4.213 -15.473 1.00 0.00 H new ATOM 0 HA LEU A 102 2.057 3.090 -18.016 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.331 2.196 -15.727 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.656 3.779 -15.392 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.658 3.559 -17.596 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.964 1.243 -18.430 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.735 1.753 -18.571 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.240 0.661 -17.256 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.375 2.094 -16.559 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.170 1.514 -15.385 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.687 3.217 -15.362 1.00 0.00 H new ATOM 1565 N PRO A 103 1.277 5.276 -18.846 1.00 0.00 N ATOM 1566 CA PRO A 103 0.813 6.591 -19.342 1.00 0.00 C ATOM 1567 C PRO A 103 -0.708 6.592 -19.527 1.00 0.00 C ATOM 1568 O PRO A 103 -1.405 5.725 -19.036 1.00 0.00 O ATOM 1569 CB PRO A 103 1.522 6.762 -20.686 1.00 0.00 C ATOM 1570 CG PRO A 103 1.885 5.343 -21.166 1.00 0.00 C ATOM 1571 CD PRO A 103 1.862 4.440 -19.921 1.00 0.00 C ATOM 0 HA PRO A 103 1.038 7.401 -18.648 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.875 7.263 -21.406 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.416 7.377 -20.579 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.172 4.992 -21.913 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.869 5.332 -21.635 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.264 3.546 -20.094 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.866 4.106 -19.658 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.228 7.562 -20.229 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.702 7.625 -20.441 1.00 0.00 C ATOM 1581 C LYS A 104 -3.007 7.609 -21.945 1.00 0.00 C ATOM 1582 O LYS A 104 -2.159 7.954 -22.745 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.254 8.914 -19.822 1.00 0.00 C ATOM 1584 CG LYS A 104 -2.373 9.342 -18.646 1.00 0.00 C ATOM 1585 CD LYS A 104 -1.246 10.242 -19.154 1.00 0.00 C ATOM 1586 CE LYS A 104 -1.290 11.585 -18.421 1.00 0.00 C ATOM 1587 NZ LYS A 104 -1.254 12.694 -19.416 1.00 0.00 N ATOM 0 H LYS A 104 -0.695 8.314 -20.665 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.172 6.763 -19.967 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.285 9.704 -20.572 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.278 8.756 -19.483 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.970 9.873 -17.905 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.957 8.464 -18.151 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.282 9.760 -18.993 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.349 10.399 -20.228 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.195 11.653 -17.817 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.444 11.667 -17.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.284 13.607 -18.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.378 12.632 -19.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.075 12.618 -20.050 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.211 7.209 -22.291 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.199 6.802 -21.262 1.00 0.00 C ATOM 1603 C PRO A 105 -5.208 5.279 -21.102 1.00 0.00 C ATOM 1604 O PRO A 105 -4.614 4.558 -21.880 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.540 7.297 -21.807 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.361 7.440 -23.331 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.848 7.538 -23.589 1.00 0.00 C ATOM 0 HA PRO A 105 -4.974 7.215 -20.279 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.338 6.593 -21.574 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.815 8.251 -21.357 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.788 6.584 -23.853 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.875 8.328 -23.700 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.536 6.843 -24.368 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.569 8.538 -23.923 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.877 4.786 -20.096 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.925 3.312 -19.883 1.00 0.00 C ATOM 1617 C PHE A 106 -7.257 2.935 -19.231 1.00 0.00 C ATOM 1618 O PHE A 106 -7.731 3.606 -18.335 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.768 2.887 -18.973 1.00 0.00 C ATOM 1620 CG PHE A 106 -4.964 3.468 -17.591 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.887 2.889 -16.712 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -4.220 4.583 -17.188 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -6.068 3.425 -15.431 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -4.400 5.119 -15.907 1.00 0.00 C ATOM 1625 CZ PHE A 106 -5.325 4.540 -15.029 1.00 0.00 C ATOM 0 H PHE A 106 -6.392 5.340 -19.412 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.834 2.803 -20.842 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.718 1.800 -18.917 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.821 3.229 -19.390 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.460 2.028 -17.022 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.507 5.030 -17.865 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.781 2.978 -14.754 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.826 5.979 -15.596 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.465 4.954 -14.042 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.865 1.867 -19.671 1.00 0.00 N ATOM 1636 CA ASP A 107 -9.161 1.447 -19.073 1.00 0.00 C ATOM 1637 C ASP A 107 -8.890 0.725 -17.754 1.00 0.00 C ATOM 1638 O ASP A 107 -7.758 0.433 -17.422 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.877 0.499 -20.033 1.00 0.00 C ATOM 1640 CG ASP A 107 -11.371 0.469 -19.705 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.973 1.529 -19.681 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.888 -0.614 -19.482 1.00 0.00 O ATOM 0 H ASP A 107 -7.518 1.267 -20.420 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.786 2.322 -18.893 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.727 0.825 -21.062 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.456 -0.503 -19.952 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.909 0.430 -16.997 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.683 -0.275 -15.707 1.00 0.00 C ATOM 1649 C ILE A 108 -9.264 -1.716 -15.994 1.00 0.00 C ATOM 1650 O ILE A 108 -8.223 -2.161 -15.565 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.969 -0.217 -14.854 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.685 0.600 -13.593 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.443 -1.620 -14.445 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -11.203 2.026 -13.779 1.00 0.00 C ATOM 0 H ILE A 108 -10.882 0.645 -17.214 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.886 0.209 -15.143 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.756 0.245 -15.451 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.166 0.137 -12.731 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.614 0.615 -13.390 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.350 -1.537 -13.846 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.650 -2.209 -15.339 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.665 -2.111 -13.860 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.000 2.607 -12.879 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.702 2.487 -14.630 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.278 2.002 -13.961 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.052 -2.446 -16.722 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.669 -3.839 -17.030 1.00 0.00 C ATOM 1668 C ASP A 109 -8.472 -3.796 -17.959 1.00 0.00 C ATOM 1669 O ASP A 109 -7.538 -4.557 -17.834 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.836 -4.523 -17.727 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.610 -6.035 -17.759 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.177 -6.572 -16.754 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -10.875 -6.632 -18.789 1.00 0.00 O ATOM 0 H ASP A 109 -10.941 -2.138 -17.115 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.420 -4.388 -16.122 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.766 -4.297 -17.205 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.939 -4.140 -18.742 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.483 -2.885 -18.880 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.329 -2.769 -19.800 1.00 0.00 C ATOM 1680 C GLU A 110 -6.059 -2.771 -18.948 1.00 0.00 C ATOM 1681 O GLU A 110 -5.116 -3.490 -19.217 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.441 -1.463 -20.582 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.220 -1.298 -21.486 1.00 0.00 C ATOM 1684 CD GLU A 110 -6.398 -2.148 -22.746 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.285 -3.358 -22.641 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -6.646 -1.573 -23.793 1.00 0.00 O ATOM 0 H GLU A 110 -9.238 -2.217 -19.036 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.305 -3.596 -20.510 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.352 -1.463 -21.181 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.513 -0.621 -19.894 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -6.094 -0.250 -21.757 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.318 -1.601 -20.955 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.045 -1.990 -17.895 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.864 -1.960 -17.005 1.00 0.00 C ATOM 1695 C ALA A 111 -4.824 -3.267 -16.207 1.00 0.00 C ATOM 1696 O ALA A 111 -4.010 -4.132 -16.461 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.016 -0.776 -16.059 1.00 0.00 C ATOM 0 H ALA A 111 -6.809 -1.373 -17.620 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.941 -1.858 -17.577 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.156 -0.732 -15.391 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.075 0.146 -16.637 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.926 -0.894 -15.471 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.696 -3.403 -15.235 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.723 -4.639 -14.401 1.00 0.00 C ATOM 1705 C VAL A 112 -5.410 -5.856 -15.271 1.00 0.00 C ATOM 1706 O VAL A 112 -4.339 -6.417 -15.208 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.125 -4.789 -13.797 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.309 -6.207 -13.250 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.295 -3.780 -12.659 1.00 0.00 C ATOM 0 H VAL A 112 -6.394 -2.703 -14.985 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.978 -4.569 -13.609 1.00 0.00 H new ATOM 0 HB VAL A 112 -7.871 -4.604 -14.570 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.307 -6.306 -12.823 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.188 -6.928 -14.059 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.563 -6.399 -12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.290 -3.883 -12.227 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.545 -3.968 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.171 -2.769 -13.047 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.349 -6.255 -16.087 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.141 -7.429 -16.984 1.00 0.00 C ATOM 1721 C ALA A 113 -4.707 -7.442 -17.517 1.00 0.00 C ATOM 1722 O ALA A 113 -3.948 -8.351 -17.241 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.111 -7.337 -18.161 1.00 0.00 C ATOM 0 H ALA A 113 -7.264 -5.811 -16.171 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.319 -8.344 -16.419 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.964 -8.192 -18.821 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.136 -7.337 -17.789 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.926 -6.416 -18.714 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.343 -6.449 -18.295 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.968 -6.390 -18.870 1.00 0.00 C ATOM 1731 C LEU A 114 -1.968 -6.960 -17.872 1.00 0.00 C ATOM 1732 O LEU A 114 -1.227 -7.877 -18.162 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.626 -4.929 -19.140 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.137 -4.797 -19.469 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.731 -5.885 -20.466 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.875 -3.421 -20.083 1.00 0.00 C ATOM 0 H LEU A 114 -4.949 -5.671 -18.556 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.924 -6.971 -19.791 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.226 -4.553 -19.969 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.870 -4.322 -18.268 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.553 -4.909 -18.556 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.330 -5.788 -20.698 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.919 -6.866 -20.030 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.314 -5.776 -21.381 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.185 -3.324 -20.319 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.461 -3.312 -20.996 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.162 -2.645 -19.373 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.962 -6.422 -16.690 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.036 -6.921 -15.648 1.00 0.00 C ATOM 1750 C VAL A 115 -1.289 -8.420 -15.444 1.00 0.00 C ATOM 1751 O VAL A 115 -0.393 -9.227 -15.580 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.297 -6.130 -14.354 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.120 -7.017 -13.121 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.314 -4.960 -14.274 1.00 0.00 C ATOM 0 H VAL A 115 -2.564 -5.652 -16.400 1.00 0.00 H new ATOM 0 HA VAL A 115 0.005 -6.784 -15.941 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.324 -5.765 -14.374 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.311 -6.432 -12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.822 -7.849 -13.168 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.101 -7.403 -13.094 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.494 -4.396 -13.359 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.707 -5.342 -14.270 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.454 -4.308 -15.136 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.504 -8.783 -15.112 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.845 -10.222 -14.878 1.00 0.00 C ATOM 1766 C GLU A 116 -2.013 -11.122 -15.791 1.00 0.00 C ATOM 1767 O GLU A 116 -1.542 -12.166 -15.389 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.332 -10.437 -15.173 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.780 -11.785 -14.602 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.107 -12.744 -15.747 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -4.393 -12.719 -16.737 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -6.066 -13.486 -15.618 1.00 0.00 O ATOM 0 H GLU A 116 -3.283 -8.136 -14.992 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.627 -10.476 -13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.920 -9.631 -14.734 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.507 -10.410 -16.248 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.993 -12.205 -13.976 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.655 -11.649 -13.967 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.826 -10.722 -17.017 1.00 0.00 N ATOM 1780 CA ARG A 117 -1.020 -11.554 -17.952 1.00 0.00 C ATOM 1781 C ARG A 117 0.460 -11.405 -17.608 1.00 0.00 C ATOM 1782 O ARG A 117 1.162 -12.377 -17.411 1.00 0.00 O ATOM 1783 CB ARG A 117 -1.265 -11.085 -19.388 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.769 -10.976 -19.642 1.00 0.00 C ATOM 1785 CD ARG A 117 -3.036 -11.002 -21.149 1.00 0.00 C ATOM 1786 NE ARG A 117 -2.957 -9.615 -21.691 1.00 0.00 N ATOM 1787 CZ ARG A 117 -3.523 -9.327 -22.833 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -3.540 -10.210 -23.794 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -4.073 -8.156 -23.012 1.00 0.00 N ATOM 0 H ARG A 117 -2.195 -9.857 -17.411 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.311 -12.600 -17.860 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.787 -10.119 -19.552 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.817 -11.786 -20.092 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.291 -11.800 -19.155 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.156 -10.053 -19.209 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.307 -11.641 -21.647 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -4.020 -11.426 -21.348 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.461 -8.891 -21.170 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -3.111 -11.125 -23.654 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -3.982 -9.985 -24.685 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.061 -7.467 -22.260 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.515 -7.931 -23.903 1.00 0.00 H new ATOM 1803 N ALA A 118 0.942 -10.197 -17.528 1.00 0.00 N ATOM 1804 CA ALA A 118 2.376 -9.997 -17.188 1.00 0.00 C ATOM 1805 C ALA A 118 2.732 -10.871 -15.985 1.00 0.00 C ATOM 1806 O ALA A 118 3.595 -11.721 -16.063 1.00 0.00 O ATOM 1807 CB ALA A 118 2.620 -8.526 -16.842 1.00 0.00 C ATOM 0 H ALA A 118 0.407 -9.343 -17.683 1.00 0.00 H new ATOM 0 HA ALA A 118 2.997 -10.274 -18.040 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.671 -8.380 -16.593 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.360 -7.903 -17.698 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.003 -8.246 -15.988 1.00 0.00 H new ATOM 1813 N ILE A 119 2.082 -10.646 -14.869 1.00 0.00 N ATOM 1814 CA ILE A 119 2.372 -11.436 -13.641 1.00 0.00 C ATOM 1815 C ILE A 119 2.696 -12.883 -14.015 1.00 0.00 C ATOM 1816 O ILE A 119 3.604 -13.488 -13.478 1.00 0.00 O ATOM 1817 CB ILE A 119 1.139 -11.410 -12.736 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.549 -9.998 -12.699 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.540 -11.824 -11.312 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.454 -9.889 -11.547 1.00 0.00 C ATOM 0 H ILE A 119 1.355 -9.939 -14.760 1.00 0.00 H new ATOM 0 HA ILE A 119 3.228 -11.004 -13.123 1.00 0.00 H new ATOM 0 HB ILE A 119 0.395 -12.104 -13.128 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.345 -9.264 -12.572 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.057 -9.774 -13.645 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.662 -11.806 -10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.956 -12.831 -11.330 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.287 -11.129 -10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.872 -8.883 -11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.256 -10.612 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 119 0.052 -10.094 -10.604 1.00 0.00 H new ATOM 1832 N SER A 120 1.959 -13.444 -14.938 1.00 0.00 N ATOM 1833 CA SER A 120 2.224 -14.851 -15.352 1.00 0.00 C ATOM 1834 C SER A 120 2.677 -14.872 -16.815 1.00 0.00 C ATOM 1835 O SER A 120 2.042 -15.465 -17.662 1.00 0.00 O ATOM 1836 CB SER A 120 0.947 -15.677 -15.204 1.00 0.00 C ATOM 1837 OG SER A 120 1.157 -16.701 -14.239 1.00 0.00 O ATOM 0 H SER A 120 1.186 -12.988 -15.422 1.00 0.00 H new ATOM 0 HA SER A 120 3.005 -15.275 -14.721 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.120 -15.037 -14.897 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.671 -16.116 -16.163 1.00 0.00 H new ATOM 0 HG SER A 120 0.339 -17.231 -14.141 1.00 0.00 H new ATOM 1843 N HIS A 121 3.772 -14.228 -17.116 1.00 0.00 N ATOM 1844 CA HIS A 121 4.262 -14.210 -18.523 1.00 0.00 C ATOM 1845 C HIS A 121 5.771 -14.463 -18.542 1.00 0.00 C ATOM 1846 O HIS A 121 6.236 -15.464 -19.050 1.00 0.00 O ATOM 1847 CB HIS A 121 3.966 -12.846 -19.149 1.00 0.00 C ATOM 1848 CG HIS A 121 4.055 -12.949 -20.648 1.00 0.00 C ATOM 1849 ND1 HIS A 121 5.061 -12.329 -21.371 1.00 0.00 N ATOM 1850 CD2 HIS A 121 3.271 -13.594 -21.571 1.00 0.00 C ATOM 1851 CE1 HIS A 121 4.858 -12.611 -22.672 1.00 0.00 C ATOM 1852 NE2 HIS A 121 3.780 -13.379 -22.849 1.00 0.00 N ATOM 0 H HIS A 121 4.348 -13.714 -16.449 1.00 0.00 H new ATOM 0 HA HIS A 121 3.756 -14.989 -19.093 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.972 -12.508 -18.856 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.676 -12.104 -18.782 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.393 -14.179 -21.341 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.490 -12.259 -23.474 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.409 -13.732 -23.731 1.00 0.00 H new ATOM 1860 N TYR A 122 6.542 -13.564 -17.992 1.00 0.00 N ATOM 1861 CA TYR A 122 8.018 -13.756 -17.979 1.00 0.00 C ATOM 1862 C TYR A 122 8.449 -14.303 -16.616 1.00 0.00 C ATOM 1863 O TYR A 122 8.654 -13.561 -15.675 1.00 0.00 O ATOM 1864 CB TYR A 122 8.714 -12.417 -18.237 1.00 0.00 C ATOM 1865 CG TYR A 122 7.938 -11.295 -17.589 1.00 0.00 C ATOM 1866 CD1 TYR A 122 8.210 -10.931 -16.265 1.00 0.00 C ATOM 1867 CD2 TYR A 122 6.948 -10.619 -18.312 1.00 0.00 C ATOM 1868 CE1 TYR A 122 7.494 -9.889 -15.664 1.00 0.00 C ATOM 1869 CE2 TYR A 122 6.231 -9.577 -17.710 1.00 0.00 C ATOM 1870 CZ TYR A 122 6.504 -9.213 -16.387 1.00 0.00 C ATOM 1871 OH TYR A 122 5.798 -8.185 -15.795 1.00 0.00 O ATOM 0 H TYR A 122 6.212 -12.705 -17.551 1.00 0.00 H new ATOM 0 HA TYR A 122 8.298 -14.463 -18.760 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.729 -12.444 -17.841 1.00 0.00 H new ATOM 0 HB3 TYR A 122 8.795 -12.241 -19.310 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.972 -11.454 -15.707 1.00 0.00 H new ATOM 0 HD2 TYR A 122 6.737 -10.901 -19.333 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.705 -9.607 -14.643 1.00 0.00 H new ATOM 0 HE2 TYR A 122 5.467 -9.055 -18.267 1.00 0.00 H new ATOM 0 HH TYR A 122 5.805 -7.402 -16.384 1.00 0.00 H new ATOM 1881 N GLN A 123 8.586 -15.596 -16.501 1.00 0.00 N ATOM 1882 CA GLN A 123 9.000 -16.188 -15.198 1.00 0.00 C ATOM 1883 C GLN A 123 10.348 -16.893 -15.357 1.00 0.00 C ATOM 1884 O GLN A 123 10.873 -17.462 -14.421 1.00 0.00 O ATOM 1885 CB GLN A 123 7.949 -17.200 -14.743 1.00 0.00 C ATOM 1886 CG GLN A 123 7.672 -17.014 -13.250 1.00 0.00 C ATOM 1887 CD GLN A 123 6.566 -17.975 -12.811 1.00 0.00 C ATOM 1888 OE1 GLN A 123 5.400 -17.635 -12.845 1.00 0.00 O ATOM 1889 NE2 GLN A 123 6.884 -19.173 -12.397 1.00 0.00 N ATOM 0 H GLN A 123 8.429 -16.267 -17.253 1.00 0.00 H new ATOM 0 HA GLN A 123 9.092 -15.396 -14.455 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.030 -17.067 -15.313 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.299 -18.214 -14.935 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.579 -17.200 -12.675 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.374 -15.985 -13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.862 -19.460 -12.368 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.154 -19.822 -12.103 1.00 0.00 H new ATOM 1898 N GLU A 124 10.915 -16.863 -16.532 1.00 0.00 N ATOM 1899 CA GLU A 124 12.228 -17.535 -16.739 1.00 0.00 C ATOM 1900 C GLU A 124 13.251 -16.959 -15.757 1.00 0.00 C ATOM 1901 O GLU A 124 14.280 -17.586 -15.569 1.00 0.00 O ATOM 1902 CB GLU A 124 12.706 -17.297 -18.174 1.00 0.00 C ATOM 1903 CG GLU A 124 11.654 -17.819 -19.156 1.00 0.00 C ATOM 1904 CD GLU A 124 11.705 -19.348 -19.199 1.00 0.00 C ATOM 1905 OE1 GLU A 124 12.580 -19.909 -18.560 1.00 0.00 O ATOM 1906 OE2 GLU A 124 10.870 -19.930 -19.871 1.00 0.00 O ATOM 1907 OXT GLU A 124 12.987 -15.901 -15.209 1.00 0.00 O ATOM 0 H GLU A 124 10.527 -16.403 -17.356 1.00 0.00 H new ATOM 0 HA GLU A 124 12.120 -18.606 -16.568 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.878 -16.233 -18.340 1.00 0.00 H new ATOM 0 HB3 GLU A 124 13.657 -17.803 -18.340 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.661 -17.487 -18.852 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.836 -17.411 -20.150 1.00 0.00 H new TER 1914 GLU A 124