USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 43 THR OG1 : rot -58:sc= 1.14 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.942 K(o=2.1,f=-3.6!) USER MOD Set 2.1: A 48 CYS SG : rot 70:sc= 1.71 USER MOD Set 2.2: A 54 SER OG : rot -162:sc= 0.179 USER MOD Set 2.3: A 71 ASN : amide:sc= 0.126 K(o=2,f=-0.54!) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.956 K(o=0.97,f=-0.024) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0.015 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.844 K(o=2.3,f=-5.6) USER MOD Set 4.2: A 49 ASN : amide:sc= 1.45 K(o=2.3,f=-5.5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.014) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.844 K(o=0.84,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.78 K(o=0.78,f=-0.0027) USER MOD Single : A 17 HIS : no HE2:sc= 0.67 K(o=0.67,f=-3.4!) USER MOD Single : A 19 GLN : amide:sc= 0.477 X(o=0.48,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.56 K(o=1.6,f=-0.67) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.23) USER MOD Single : A 35 THR OG1 : rot 38:sc= 1 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.13) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.21) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.425 USER MOD Single : A 53 GLN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.231 X(o=0.23,f=-0.074) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.06) USER MOD Single : A 62 SER OG : rot 75:sc= 1.2 USER MOD Single : A 64 MET CE :methyl 176:sc= 0 (180deg=-0.0119) USER MOD Single : A 66 TYR OH : rot -162:sc= 0.00133 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -138:sc= 0 (180deg=-0.0164) USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 2.26 (180deg=2.26) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.191 -0.398 1.189 1.00 0.00 N ATOM 2 CA ALA A 1 0.358 -0.425 -0.283 1.00 0.00 C ATOM 3 C ALA A 1 1.231 -1.617 -0.703 1.00 0.00 C ATOM 4 O ALA A 1 2.355 -1.434 -1.178 1.00 0.00 O ATOM 5 CB ALA A 1 0.911 0.920 -0.797 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.402 0.414 1.456 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.265 -1.278 1.503 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.123 -0.311 1.643 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.619 -0.562 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.025 0.876 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.219 1.721 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.880 1.114 -0.338 1.00 0.00 H new ATOM 13 N GLU A 2 0.736 -2.851 -0.554 1.00 0.00 N ATOM 14 CA GLU A 2 1.402 -4.070 -1.002 1.00 0.00 C ATOM 15 C GLU A 2 0.324 -5.138 -1.238 1.00 0.00 C ATOM 16 O GLU A 2 -0.671 -5.178 -0.506 1.00 0.00 O ATOM 17 CB GLU A 2 2.392 -4.522 0.092 1.00 0.00 C ATOM 18 CG GLU A 2 3.209 -5.776 -0.256 1.00 0.00 C ATOM 19 CD GLU A 2 4.133 -6.183 0.905 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.166 -5.513 1.127 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.840 -7.191 1.587 1.00 0.00 O ATOM 0 H GLU A 2 -0.163 -3.029 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 2 1.956 -3.906 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.081 -3.703 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.836 -4.711 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.534 -6.599 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.805 -5.588 -1.149 1.00 0.00 H new ATOM 28 N HIS A 3 0.557 -6.033 -2.200 1.00 0.00 N ATOM 29 CA HIS A 3 -0.201 -7.256 -2.447 1.00 0.00 C ATOM 30 C HIS A 3 0.790 -8.318 -2.920 1.00 0.00 C ATOM 31 O HIS A 3 1.891 -7.985 -3.359 1.00 0.00 O ATOM 32 CB HIS A 3 -1.276 -7.055 -3.529 1.00 0.00 C ATOM 33 CG HIS A 3 -2.424 -6.167 -3.124 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.391 -6.441 -2.180 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.736 -4.956 -3.679 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.256 -5.413 -2.163 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.903 -4.478 -3.066 1.00 0.00 N ATOM 0 H HIS A 3 1.323 -5.915 -2.863 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.711 -7.553 -1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.804 -6.632 -4.416 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.672 -8.030 -3.813 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.179 -4.454 -4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.117 -5.346 -1.514 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.386 -3.602 -3.264 1.00 0.00 H new ATOM 45 N TRP A 4 0.384 -9.588 -2.885 1.00 0.00 N ATOM 46 CA TRP A 4 1.200 -10.709 -3.324 1.00 0.00 C ATOM 47 C TRP A 4 0.396 -11.473 -4.358 1.00 0.00 C ATOM 48 O TRP A 4 -0.672 -12.003 -4.044 1.00 0.00 O ATOM 49 CB TRP A 4 1.589 -11.589 -2.129 1.00 0.00 C ATOM 50 CG TRP A 4 2.608 -11.010 -1.192 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.401 -9.986 -0.335 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.001 -11.411 -0.992 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.555 -9.715 0.365 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.567 -10.587 0.030 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.845 -12.390 -1.564 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.888 -10.744 0.478 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.172 -12.551 -1.124 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.694 -11.737 -0.103 1.00 0.00 C ATOM 0 H TRP A 4 -0.537 -9.866 -2.545 1.00 0.00 H new ATOM 0 HA TRP A 4 2.134 -10.367 -3.769 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.687 -11.814 -1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.971 -12.536 -2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.467 -9.457 -0.217 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.649 -8.962 1.047 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.465 -13.025 -2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.280 -10.110 1.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.796 -13.308 -1.575 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.711 -11.875 0.233 1.00 0.00 H new ATOM 69 N ILE A 5 0.902 -11.503 -5.589 1.00 0.00 N ATOM 70 CA ILE A 5 0.228 -12.096 -6.727 1.00 0.00 C ATOM 71 C ILE A 5 1.062 -13.309 -7.119 1.00 0.00 C ATOM 72 O ILE A 5 2.206 -13.199 -7.569 1.00 0.00 O ATOM 73 CB ILE A 5 0.054 -11.082 -7.879 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.445 -9.688 -7.432 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.889 -11.670 -8.946 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.828 -9.608 -6.794 1.00 0.00 C ATOM 0 H ILE A 5 1.812 -11.105 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.789 -12.400 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 5 1.049 -10.916 -8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.277 -9.284 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.438 -9.033 -8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.011 -10.954 -9.758 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.464 -12.594 -9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.860 -11.879 -8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.048 -8.573 -6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.576 -9.969 -7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.850 -10.224 -5.895 1.00 0.00 H new ATOM 88 N ASP A 6 0.488 -14.477 -6.889 1.00 0.00 N ATOM 89 CA ASP A 6 0.999 -15.752 -7.337 1.00 0.00 C ATOM 90 C ASP A 6 0.674 -15.877 -8.824 1.00 0.00 C ATOM 91 O ASP A 6 -0.454 -16.221 -9.181 1.00 0.00 O ATOM 92 CB ASP A 6 0.321 -16.854 -6.525 1.00 0.00 C ATOM 93 CG ASP A 6 0.785 -18.239 -6.945 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.963 -18.425 -7.308 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.033 -19.181 -6.867 1.00 0.00 O ATOM 0 H ASP A 6 -0.382 -14.562 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 6 2.077 -15.836 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.533 -16.706 -5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.760 -16.781 -6.647 1.00 0.00 H new ATOM 100 N VAL A 7 1.622 -15.524 -9.696 1.00 0.00 N ATOM 101 CA VAL A 7 1.425 -15.506 -11.151 1.00 0.00 C ATOM 102 C VAL A 7 1.489 -16.918 -11.765 1.00 0.00 C ATOM 103 O VAL A 7 1.395 -17.091 -12.984 1.00 0.00 O ATOM 104 CB VAL A 7 2.391 -14.509 -11.826 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.335 -13.122 -11.163 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.853 -14.979 -11.861 1.00 0.00 C ATOM 0 H VAL A 7 2.559 -15.239 -9.410 1.00 0.00 H new ATOM 0 HA VAL A 7 0.414 -15.149 -11.347 1.00 0.00 H new ATOM 0 HB VAL A 7 2.038 -14.448 -12.856 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.029 -12.450 -11.667 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.324 -12.723 -11.239 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.613 -13.209 -10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.467 -14.223 -12.351 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.210 -15.132 -10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.921 -15.916 -12.414 1.00 0.00 H new ATOM 116 N ARG A 8 1.737 -17.918 -10.919 1.00 0.00 N ATOM 117 CA ARG A 8 1.871 -19.338 -11.223 1.00 0.00 C ATOM 118 C ARG A 8 0.548 -19.910 -11.729 1.00 0.00 C ATOM 119 O ARG A 8 -0.516 -19.318 -11.525 1.00 0.00 O ATOM 120 CB ARG A 8 2.228 -19.982 -9.879 1.00 0.00 C ATOM 121 CG ARG A 8 2.733 -21.429 -9.822 1.00 0.00 C ATOM 122 CD ARG A 8 3.173 -21.837 -8.398 1.00 0.00 C ATOM 123 NE ARG A 8 2.341 -21.247 -7.335 1.00 0.00 N ATOM 124 CZ ARG A 8 2.045 -21.764 -6.142 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.523 -22.934 -5.733 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.241 -21.088 -5.345 1.00 0.00 N ATOM 0 H ARG A 8 1.859 -17.738 -9.922 1.00 0.00 H new ATOM 0 HA ARG A 8 2.616 -19.522 -11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.990 -19.356 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.341 -19.925 -9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.946 -22.101 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.572 -21.547 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.140 -22.923 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.210 -21.536 -8.246 1.00 0.00 H new ATOM 0 HE ARG A 8 1.942 -20.330 -7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.141 -23.472 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.272 -23.294 -4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.861 -20.191 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.999 -21.462 -4.427 1.00 0.00 H new ATOM 140 N VAL A 9 0.602 -21.107 -12.311 1.00 0.00 N ATOM 141 CA VAL A 9 -0.603 -21.853 -12.650 1.00 0.00 C ATOM 142 C VAL A 9 -1.445 -22.144 -11.391 1.00 0.00 C ATOM 143 O VAL A 9 -0.885 -22.355 -10.310 1.00 0.00 O ATOM 144 CB VAL A 9 -0.251 -23.126 -13.453 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.339 -22.757 -14.822 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.725 -24.064 -12.720 1.00 0.00 C ATOM 0 H VAL A 9 1.472 -21.580 -12.557 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.227 -21.239 -13.300 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.190 -23.666 -13.577 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.580 -23.667 -15.372 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.389 -22.174 -15.387 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.245 -22.168 -14.681 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.927 -24.936 -13.342 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.657 -23.536 -12.521 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.282 -24.385 -11.777 1.00 0.00 H new ATOM 156 N PRO A 10 -2.785 -22.181 -11.508 1.00 0.00 N ATOM 157 CA PRO A 10 -3.681 -22.232 -10.355 1.00 0.00 C ATOM 158 C PRO A 10 -3.717 -23.608 -9.675 1.00 0.00 C ATOM 159 O PRO A 10 -4.145 -23.720 -8.525 1.00 0.00 O ATOM 160 CB PRO A 10 -5.049 -21.835 -10.915 1.00 0.00 C ATOM 161 CG PRO A 10 -5.005 -22.333 -12.355 1.00 0.00 C ATOM 162 CD PRO A 10 -3.557 -22.045 -12.739 1.00 0.00 C ATOM 0 HA PRO A 10 -3.343 -21.563 -9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.861 -22.299 -10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.204 -20.757 -10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.245 -23.394 -12.429 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.711 -21.802 -12.993 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.208 -22.744 -13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.455 -21.043 -13.156 1.00 0.00 H new ATOM 170 N GLU A 11 -3.273 -24.666 -10.356 1.00 0.00 N ATOM 171 CA GLU A 11 -3.190 -26.009 -9.784 1.00 0.00 C ATOM 172 C GLU A 11 -2.209 -26.039 -8.605 1.00 0.00 C ATOM 173 O GLU A 11 -2.476 -26.694 -7.597 1.00 0.00 O ATOM 174 CB GLU A 11 -2.784 -26.998 -10.889 1.00 0.00 C ATOM 175 CG GLU A 11 -2.802 -28.458 -10.411 1.00 0.00 C ATOM 176 CD GLU A 11 -2.508 -29.433 -11.565 1.00 0.00 C ATOM 177 OE1 GLU A 11 -1.322 -29.741 -11.824 1.00 0.00 O ATOM 178 OE2 GLU A 11 -3.461 -29.920 -12.216 1.00 0.00 O ATOM 0 H GLU A 11 -2.959 -24.614 -11.325 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.163 -26.303 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.461 -26.889 -11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.785 -26.749 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.062 -28.593 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.775 -28.688 -9.978 1.00 0.00 H new ATOM 185 N GLN A 12 -1.090 -25.309 -8.703 1.00 0.00 N ATOM 186 CA GLN A 12 -0.045 -25.334 -7.685 1.00 0.00 C ATOM 187 C GLN A 12 -0.418 -24.463 -6.478 1.00 0.00 C ATOM 188 O GLN A 12 -0.038 -24.788 -5.352 1.00 0.00 O ATOM 189 CB GLN A 12 1.295 -24.920 -8.301 1.00 0.00 C ATOM 190 CG GLN A 12 1.819 -25.945 -9.324 1.00 0.00 C ATOM 191 CD GLN A 12 3.206 -25.581 -9.861 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.094 -25.163 -9.121 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.436 -25.727 -11.155 1.00 0.00 N ATOM 0 H GLN A 12 -0.889 -24.689 -9.488 1.00 0.00 H new ATOM 0 HA GLN A 12 0.056 -26.353 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.183 -23.951 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.032 -24.795 -7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.860 -26.930 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.118 -26.015 -10.156 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.698 -26.074 -11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.351 -25.493 -11.540 1.00 0.00 H new ATOM 202 N TYR A 13 -1.218 -23.408 -6.675 1.00 0.00 N ATOM 203 CA TYR A 13 -1.798 -22.616 -5.585 1.00 0.00 C ATOM 204 C TYR A 13 -2.577 -23.503 -4.615 1.00 0.00 C ATOM 205 O TYR A 13 -2.475 -23.337 -3.400 1.00 0.00 O ATOM 206 CB TYR A 13 -2.697 -21.523 -6.176 1.00 0.00 C ATOM 207 CG TYR A 13 -3.443 -20.667 -5.165 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.799 -19.580 -4.544 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.805 -20.913 -4.902 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.518 -18.713 -3.704 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.526 -20.065 -4.042 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.887 -18.952 -3.447 1.00 0.00 C ATOM 213 OH TYR A 13 -5.583 -18.093 -2.649 1.00 0.00 O ATOM 0 H TYR A 13 -1.483 -23.078 -7.603 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.993 -22.148 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.084 -20.869 -6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.427 -21.995 -6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.746 -19.411 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.298 -21.756 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.024 -17.864 -3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.567 -20.264 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.512 -18.397 -2.573 1.00 0.00 H new ATOM 223 N GLN A 14 -3.304 -24.489 -5.143 1.00 0.00 N ATOM 224 CA GLN A 14 -4.088 -25.427 -4.347 1.00 0.00 C ATOM 225 C GLN A 14 -3.200 -26.426 -3.579 1.00 0.00 C ATOM 226 O GLN A 14 -3.733 -27.223 -2.807 1.00 0.00 O ATOM 227 CB GLN A 14 -5.100 -26.132 -5.269 1.00 0.00 C ATOM 228 CG GLN A 14 -6.141 -25.152 -5.838 1.00 0.00 C ATOM 229 CD GLN A 14 -6.891 -25.752 -7.026 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.807 -26.557 -6.871 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.517 -25.373 -8.239 1.00 0.00 N ATOM 0 H GLN A 14 -3.364 -24.658 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.631 -24.877 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.568 -26.613 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.609 -26.920 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.852 -24.882 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.644 -24.233 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.755 -24.704 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.991 -25.750 -9.060 1.00 0.00 H new ATOM 240 N GLN A 15 -1.870 -26.393 -3.757 1.00 0.00 N ATOM 241 CA GLN A 15 -0.932 -27.256 -3.046 1.00 0.00 C ATOM 242 C GLN A 15 -0.183 -26.459 -1.976 1.00 0.00 C ATOM 243 O GLN A 15 -0.070 -26.928 -0.845 1.00 0.00 O ATOM 244 CB GLN A 15 0.053 -27.940 -4.016 1.00 0.00 C ATOM 245 CG GLN A 15 -0.563 -28.506 -5.306 1.00 0.00 C ATOM 246 CD GLN A 15 -1.836 -29.333 -5.116 1.00 0.00 C ATOM 247 OE1 GLN A 15 -1.895 -30.253 -4.304 1.00 0.00 O ATOM 248 NE2 GLN A 15 -2.878 -29.021 -5.873 1.00 0.00 N ATOM 0 H GLN A 15 -1.416 -25.754 -4.410 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.504 -28.044 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.824 -27.219 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.550 -28.753 -3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.786 -27.676 -5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.183 -29.127 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.811 -28.254 -6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.747 -29.548 -5.787 1.00 0.00 H new ATOM 257 N GLU A 16 0.278 -25.248 -2.296 1.00 0.00 N ATOM 258 CA GLU A 16 0.946 -24.342 -1.361 1.00 0.00 C ATOM 259 C GLU A 16 0.864 -22.920 -1.915 1.00 0.00 C ATOM 260 O GLU A 16 1.049 -22.726 -3.120 1.00 0.00 O ATOM 261 CB GLU A 16 2.416 -24.776 -1.184 1.00 0.00 C ATOM 262 CG GLU A 16 3.180 -23.933 -0.151 1.00 0.00 C ATOM 263 CD GLU A 16 4.564 -24.526 0.173 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.642 -25.656 0.705 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.583 -23.835 -0.052 1.00 0.00 O ATOM 0 H GLU A 16 0.195 -24.861 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 16 0.459 -24.375 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.444 -25.823 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.925 -24.709 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.301 -22.918 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.593 -23.863 0.765 1.00 0.00 H new ATOM 272 N HIS A 17 0.631 -21.923 -1.058 1.00 0.00 N ATOM 273 CA HIS A 17 0.706 -20.507 -1.404 1.00 0.00 C ATOM 274 C HIS A 17 1.024 -19.672 -0.161 1.00 0.00 C ATOM 275 O HIS A 17 0.804 -20.116 0.968 1.00 0.00 O ATOM 276 CB HIS A 17 -0.601 -20.050 -2.070 1.00 0.00 C ATOM 277 CG HIS A 17 -1.871 -20.285 -1.283 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.680 -21.396 -1.366 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.529 -19.373 -0.500 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.792 -21.159 -0.652 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.749 -19.934 -0.098 1.00 0.00 N ATOM 0 H HIS A 17 0.379 -22.085 -0.083 1.00 0.00 H new ATOM 0 HA HIS A 17 1.514 -20.359 -2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.522 -18.984 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.693 -20.560 -3.029 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.471 -22.251 -1.881 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.169 -18.389 -0.237 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.609 -21.856 -0.538 1.00 0.00 H new ATOM 289 N VAL A 18 1.547 -18.460 -0.368 1.00 0.00 N ATOM 290 CA VAL A 18 1.791 -17.484 0.692 1.00 0.00 C ATOM 291 C VAL A 18 0.438 -17.085 1.285 1.00 0.00 C ATOM 292 O VAL A 18 -0.518 -16.818 0.552 1.00 0.00 O ATOM 293 CB VAL A 18 2.559 -16.265 0.132 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.834 -15.204 1.210 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.908 -16.676 -0.475 1.00 0.00 C ATOM 0 H VAL A 18 1.816 -18.126 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 18 2.413 -17.912 1.478 1.00 0.00 H new ATOM 0 HB VAL A 18 1.913 -15.843 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.375 -14.368 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.889 -14.848 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.433 -15.643 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.419 -15.793 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.523 -17.147 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.741 -17.380 -1.290 1.00 0.00 H new ATOM 305 N GLN A 19 0.354 -17.043 2.613 1.00 0.00 N ATOM 306 CA GLN A 19 -0.864 -16.708 3.331 1.00 0.00 C ATOM 307 C GLN A 19 -1.295 -15.283 2.956 1.00 0.00 C ATOM 308 O GLN A 19 -0.521 -14.336 3.110 1.00 0.00 O ATOM 309 CB GLN A 19 -0.601 -16.896 4.835 1.00 0.00 C ATOM 310 CG GLN A 19 -1.871 -16.876 5.696 1.00 0.00 C ATOM 311 CD GLN A 19 -1.578 -17.289 7.142 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.715 -16.492 8.067 1.00 0.00 O ATOM 313 NE2 GLN A 19 -1.165 -18.527 7.384 1.00 0.00 N ATOM 0 H GLN A 19 1.144 -17.244 3.225 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.692 -17.362 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.085 -17.844 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.071 -16.109 5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.304 -15.876 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.613 -17.550 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.052 -19.187 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.961 -18.819 8.340 1.00 0.00 H new ATOM 322 N GLY A 20 -2.524 -15.138 2.450 1.00 0.00 N ATOM 323 CA GLY A 20 -3.115 -13.851 2.094 1.00 0.00 C ATOM 324 C GLY A 20 -2.812 -13.397 0.660 1.00 0.00 C ATOM 325 O GLY A 20 -3.275 -12.325 0.265 1.00 0.00 O ATOM 0 H GLY A 20 -3.144 -15.928 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.196 -13.911 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.752 -13.093 2.788 1.00 0.00 H new ATOM 329 N ALA A 21 -2.051 -14.172 -0.124 1.00 0.00 N ATOM 330 CA ALA A 21 -1.819 -13.886 -1.540 1.00 0.00 C ATOM 331 C ALA A 21 -3.094 -14.094 -2.374 1.00 0.00 C ATOM 332 O ALA A 21 -4.081 -14.664 -1.897 1.00 0.00 O ATOM 333 CB ALA A 21 -0.693 -14.789 -2.055 1.00 0.00 C ATOM 0 H ALA A 21 -1.580 -15.014 0.208 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.531 -12.840 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.514 -14.582 -3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.217 -14.595 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.980 -15.834 -1.934 1.00 0.00 H new ATOM 339 N ILE A 22 -3.036 -13.700 -3.648 1.00 0.00 N ATOM 340 CA ILE A 22 -4.040 -14.000 -4.669 1.00 0.00 C ATOM 341 C ILE A 22 -3.327 -14.821 -5.736 1.00 0.00 C ATOM 342 O ILE A 22 -2.214 -14.459 -6.119 1.00 0.00 O ATOM 343 CB ILE A 22 -4.636 -12.726 -5.344 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.294 -11.386 -4.648 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.148 -12.931 -5.543 1.00 0.00 C ATOM 346 CD1 ILE A 22 -4.967 -10.152 -5.263 1.00 0.00 C ATOM 0 H ILE A 22 -2.261 -13.144 -4.009 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.874 -14.521 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.148 -12.618 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.581 -11.454 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.214 -11.244 -4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.576 -12.046 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.317 -13.799 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.624 -13.093 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.669 -9.261 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.661 -10.052 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.050 -10.265 -5.212 1.00 0.00 H new ATOM 358 N ASN A 23 -3.954 -15.880 -6.251 1.00 0.00 N ATOM 359 CA ASN A 23 -3.467 -16.515 -7.471 1.00 0.00 C ATOM 360 C ASN A 23 -4.282 -15.958 -8.611 1.00 0.00 C ATOM 361 O ASN A 23 -5.515 -15.958 -8.572 1.00 0.00 O ATOM 362 CB ASN A 23 -3.532 -18.043 -7.461 1.00 0.00 C ATOM 363 CG ASN A 23 -3.130 -18.614 -8.825 1.00 0.00 C ATOM 364 OD1 ASN A 23 -3.919 -18.626 -9.764 1.00 0.00 O ATOM 365 ND2 ASN A 23 -1.904 -19.079 -8.976 1.00 0.00 N ATOM 0 H ASN A 23 -4.787 -16.309 -5.848 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.405 -16.290 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.870 -18.435 -6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.542 -18.367 -7.210 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.607 -19.451 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.253 -19.066 -8.191 1.00 0.00 H new ATOM 372 N ILE A 24 -3.564 -15.499 -9.622 1.00 0.00 N ATOM 373 CA ILE A 24 -4.114 -15.136 -10.909 1.00 0.00 C ATOM 374 C ILE A 24 -3.021 -15.628 -11.863 1.00 0.00 C ATOM 375 O ILE A 24 -1.875 -15.215 -11.687 1.00 0.00 O ATOM 376 CB ILE A 24 -4.364 -13.608 -11.022 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.055 -12.947 -9.804 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.127 -13.353 -12.326 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.173 -11.417 -9.895 1.00 0.00 C ATOM 0 H ILE A 24 -2.554 -15.366 -9.564 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.093 -15.569 -11.113 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.389 -13.121 -11.032 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.053 -13.370 -9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.499 -13.204 -8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.318 -12.285 -12.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.532 -13.702 -13.170 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.075 -13.890 -12.304 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.669 -11.037 -9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.178 -10.979 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.757 -11.149 -10.776 1.00 0.00 H new ATOM 391 N PRO A 25 -3.297 -16.519 -12.827 1.00 0.00 N ATOM 392 CA PRO A 25 -2.261 -16.969 -13.745 1.00 0.00 C ATOM 393 C PRO A 25 -1.826 -15.774 -14.605 1.00 0.00 C ATOM 394 O PRO A 25 -2.646 -14.913 -14.930 1.00 0.00 O ATOM 395 CB PRO A 25 -2.897 -18.127 -14.517 1.00 0.00 C ATOM 396 CG PRO A 25 -4.389 -17.798 -14.506 1.00 0.00 C ATOM 397 CD PRO A 25 -4.586 -17.103 -13.157 1.00 0.00 C ATOM 0 HA PRO A 25 -1.346 -17.328 -13.274 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.509 -18.191 -15.534 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.695 -19.085 -14.038 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.664 -17.149 -15.337 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.000 -18.697 -14.588 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.359 -16.337 -13.220 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.902 -17.813 -12.393 1.00 0.00 H new ATOM 405 N LEU A 26 -0.540 -15.701 -14.966 1.00 0.00 N ATOM 406 CA LEU A 26 0.086 -14.516 -15.572 1.00 0.00 C ATOM 407 C LEU A 26 -0.690 -13.918 -16.758 1.00 0.00 C ATOM 408 O LEU A 26 -0.794 -12.697 -16.873 1.00 0.00 O ATOM 409 CB LEU A 26 1.536 -14.865 -15.956 1.00 0.00 C ATOM 410 CG LEU A 26 2.360 -13.702 -16.550 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.345 -12.447 -15.670 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.813 -14.162 -16.719 1.00 0.00 C ATOM 0 H LEU A 26 0.109 -16.478 -14.844 1.00 0.00 H new ATOM 0 HA LEU A 26 0.072 -13.724 -14.823 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.050 -15.237 -15.069 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.517 -15.681 -16.679 1.00 0.00 H new ATOM 0 HG LEU A 26 1.905 -13.438 -17.505 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.941 -11.665 -16.141 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.319 -12.099 -15.551 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.764 -12.683 -14.692 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.406 -13.349 -17.138 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.220 -14.445 -15.748 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.847 -15.020 -17.391 1.00 0.00 H new ATOM 424 N LYS A 27 -1.279 -14.753 -17.618 1.00 0.00 N ATOM 425 CA LYS A 27 -2.087 -14.304 -18.747 1.00 0.00 C ATOM 426 C LYS A 27 -3.265 -13.444 -18.279 1.00 0.00 C ATOM 427 O LYS A 27 -3.580 -12.447 -18.928 1.00 0.00 O ATOM 428 CB LYS A 27 -2.549 -15.544 -19.534 1.00 0.00 C ATOM 429 CG LYS A 27 -3.403 -15.243 -20.774 1.00 0.00 C ATOM 430 CD LYS A 27 -2.678 -14.388 -21.827 1.00 0.00 C ATOM 431 CE LYS A 27 -3.493 -14.235 -23.121 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.726 -13.425 -22.942 1.00 0.00 N ATOM 0 H LYS A 27 -1.206 -15.768 -17.547 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.492 -13.668 -19.402 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.669 -16.107 -19.845 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.120 -16.188 -18.866 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.710 -16.184 -21.231 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.312 -14.728 -20.463 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.473 -13.401 -21.411 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.715 -14.842 -22.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.868 -13.771 -23.884 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.766 -15.224 -23.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.232 -13.358 -23.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.340 -13.879 -22.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.470 -12.471 -22.617 1.00 0.00 H new ATOM 446 N GLU A 28 -3.906 -13.803 -17.164 1.00 0.00 N ATOM 447 CA GLU A 28 -4.987 -13.016 -16.587 1.00 0.00 C ATOM 448 C GLU A 28 -4.450 -11.840 -15.781 1.00 0.00 C ATOM 449 O GLU A 28 -5.101 -10.801 -15.784 1.00 0.00 O ATOM 450 CB GLU A 28 -5.915 -13.883 -15.717 1.00 0.00 C ATOM 451 CG GLU A 28 -7.238 -14.152 -16.436 1.00 0.00 C ATOM 452 CD GLU A 28 -8.166 -15.048 -15.605 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.929 -14.500 -14.778 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.166 -16.286 -15.795 1.00 0.00 O ATOM 0 H GLU A 28 -3.686 -14.649 -16.639 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.572 -12.621 -17.418 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.424 -14.828 -15.483 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.107 -13.380 -14.769 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.737 -13.206 -16.645 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.040 -14.626 -17.397 1.00 0.00 H new ATOM 461 N VAL A 29 -3.285 -11.947 -15.131 1.00 0.00 N ATOM 462 CA VAL A 29 -2.702 -10.846 -14.345 1.00 0.00 C ATOM 463 C VAL A 29 -2.645 -9.576 -15.192 1.00 0.00 C ATOM 464 O VAL A 29 -3.028 -8.512 -14.710 1.00 0.00 O ATOM 465 CB VAL A 29 -1.301 -11.217 -13.805 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.565 -10.058 -13.115 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.389 -12.352 -12.787 1.00 0.00 C ATOM 0 H VAL A 29 -2.719 -12.796 -15.133 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.342 -10.664 -13.481 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.740 -11.508 -14.693 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.409 -10.402 -12.766 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.428 -9.241 -13.823 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.152 -9.708 -12.266 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.390 -12.593 -12.423 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.015 -12.042 -11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.825 -13.232 -13.260 1.00 0.00 H new ATOM 477 N LYS A 30 -2.248 -9.692 -16.465 1.00 0.00 N ATOM 478 CA LYS A 30 -2.086 -8.556 -17.367 1.00 0.00 C ATOM 479 C LYS A 30 -3.397 -7.815 -17.685 1.00 0.00 C ATOM 480 O LYS A 30 -3.369 -6.804 -18.384 1.00 0.00 O ATOM 481 CB LYS A 30 -1.338 -9.024 -18.631 1.00 0.00 C ATOM 482 CG LYS A 30 -0.502 -7.876 -19.224 1.00 0.00 C ATOM 483 CD LYS A 30 0.247 -8.297 -20.494 1.00 0.00 C ATOM 484 CE LYS A 30 1.095 -7.121 -21.006 1.00 0.00 C ATOM 485 NZ LYS A 30 1.883 -7.465 -22.214 1.00 0.00 N ATOM 0 H LYS A 30 -2.029 -10.589 -16.898 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.487 -7.803 -16.855 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.689 -9.864 -18.385 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.053 -9.380 -19.372 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.156 -7.034 -19.453 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.215 -7.530 -18.480 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.886 -9.155 -20.284 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.463 -8.608 -21.261 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.441 -6.279 -21.232 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.772 -6.796 -20.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.626 -6.752 -22.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.320 -8.400 -22.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.256 -7.484 -23.044 1.00 0.00 H new ATOM 499 N GLU A 31 -4.544 -8.269 -17.179 1.00 0.00 N ATOM 500 CA GLU A 31 -5.795 -7.533 -17.224 1.00 0.00 C ATOM 501 C GLU A 31 -6.349 -7.394 -15.804 1.00 0.00 C ATOM 502 O GLU A 31 -6.658 -6.292 -15.355 1.00 0.00 O ATOM 503 CB GLU A 31 -6.755 -8.259 -18.179 1.00 0.00 C ATOM 504 CG GLU A 31 -8.114 -7.558 -18.250 1.00 0.00 C ATOM 505 CD GLU A 31 -9.027 -8.186 -19.318 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.778 -9.137 -19.004 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.020 -7.722 -20.481 1.00 0.00 O ATOM 0 H GLU A 31 -4.625 -9.176 -16.719 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.653 -6.523 -17.607 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.315 -8.303 -19.175 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.892 -9.288 -17.846 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.602 -7.613 -17.277 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.967 -6.501 -18.474 1.00 0.00 H new ATOM 514 N ARG A 32 -6.429 -8.502 -15.068 1.00 0.00 N ATOM 515 CA ARG A 32 -7.083 -8.588 -13.769 1.00 0.00 C ATOM 516 C ARG A 32 -6.381 -7.765 -12.696 1.00 0.00 C ATOM 517 O ARG A 32 -7.046 -7.331 -11.753 1.00 0.00 O ATOM 518 CB ARG A 32 -7.240 -10.058 -13.365 1.00 0.00 C ATOM 519 CG ARG A 32 -8.311 -10.180 -12.271 1.00 0.00 C ATOM 520 CD ARG A 32 -8.665 -11.635 -11.966 1.00 0.00 C ATOM 521 NE ARG A 32 -9.401 -12.311 -13.048 1.00 0.00 N ATOM 522 CZ ARG A 32 -10.693 -12.178 -13.363 1.00 0.00 C ATOM 523 NH1 ARG A 32 -11.478 -11.293 -12.752 1.00 0.00 N ATOM 524 NH2 ARG A 32 -11.176 -12.970 -14.309 1.00 0.00 N ATOM 0 H ARG A 32 -6.028 -9.389 -15.371 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.075 -8.146 -13.863 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.521 -10.656 -14.232 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.289 -10.450 -13.003 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.955 -9.697 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.209 -9.648 -12.584 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.747 -12.187 -11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.264 -11.670 -11.056 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.861 -12.956 -13.625 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.097 -10.693 -12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.460 -11.215 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.567 -13.648 -14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.157 -12.901 -14.580 1.00 0.00 H new ATOM 538 N ILE A 33 -5.076 -7.499 -12.817 1.00 0.00 N ATOM 539 CA ILE A 33 -4.417 -6.629 -11.846 1.00 0.00 C ATOM 540 C ILE A 33 -5.047 -5.232 -11.885 1.00 0.00 C ATOM 541 O ILE A 33 -5.149 -4.603 -10.840 1.00 0.00 O ATOM 542 CB ILE A 33 -2.879 -6.598 -12.014 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.170 -6.061 -10.745 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.445 -5.756 -13.220 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.156 -7.087 -9.608 1.00 0.00 C ATOM 0 H ILE A 33 -4.473 -7.862 -13.555 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.581 -7.047 -10.853 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.580 -7.633 -12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.146 -5.784 -10.994 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.672 -5.155 -10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.358 -5.764 -13.297 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.876 -6.174 -14.130 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.792 -4.731 -13.092 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.648 -6.663 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.180 -7.345 -9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.630 -7.984 -9.934 1.00 0.00 H new ATOM 557 N ALA A 34 -5.533 -4.762 -13.043 1.00 0.00 N ATOM 558 CA ALA A 34 -6.158 -3.447 -13.131 1.00 0.00 C ATOM 559 C ALA A 34 -7.415 -3.360 -12.261 1.00 0.00 C ATOM 560 O ALA A 34 -7.672 -2.322 -11.652 1.00 0.00 O ATOM 561 CB ALA A 34 -6.490 -3.114 -14.588 1.00 0.00 C ATOM 0 H ALA A 34 -5.503 -5.275 -13.924 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.446 -2.714 -12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.956 -2.130 -14.639 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.574 -3.113 -15.179 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.177 -3.862 -14.985 1.00 0.00 H new ATOM 567 N THR A 35 -8.187 -4.444 -12.187 1.00 0.00 N ATOM 568 CA THR A 35 -9.381 -4.520 -11.354 1.00 0.00 C ATOM 569 C THR A 35 -9.019 -4.749 -9.880 1.00 0.00 C ATOM 570 O THR A 35 -9.662 -4.183 -8.993 1.00 0.00 O ATOM 571 CB THR A 35 -10.326 -5.611 -11.905 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.632 -6.675 -12.534 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.261 -5.025 -12.967 1.00 0.00 C ATOM 0 H THR A 35 -7.997 -5.300 -12.709 1.00 0.00 H new ATOM 0 HA THR A 35 -9.907 -3.566 -11.392 1.00 0.00 H new ATOM 0 HB THR A 35 -10.871 -5.986 -11.039 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.810 -6.868 -12.037 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.919 -5.808 -13.344 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.860 -4.229 -12.525 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.670 -4.621 -13.789 1.00 0.00 H new ATOM 581 N ALA A 36 -7.989 -5.556 -9.608 1.00 0.00 N ATOM 582 CA ALA A 36 -7.614 -5.945 -8.250 1.00 0.00 C ATOM 583 C ALA A 36 -6.814 -4.851 -7.531 1.00 0.00 C ATOM 584 O ALA A 36 -6.953 -4.683 -6.319 1.00 0.00 O ATOM 585 CB ALA A 36 -6.805 -7.247 -8.307 1.00 0.00 C ATOM 0 H ALA A 36 -7.390 -5.959 -10.329 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.528 -6.095 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.521 -7.544 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.411 -8.032 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.907 -7.092 -8.905 1.00 0.00 H new ATOM 591 N VAL A 37 -5.978 -4.121 -8.269 1.00 0.00 N ATOM 592 CA VAL A 37 -4.976 -3.185 -7.769 1.00 0.00 C ATOM 593 C VAL A 37 -4.883 -1.995 -8.749 1.00 0.00 C ATOM 594 O VAL A 37 -3.893 -1.850 -9.469 1.00 0.00 O ATOM 595 CB VAL A 37 -3.609 -3.891 -7.567 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.704 -3.007 -6.703 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.691 -5.287 -6.928 1.00 0.00 C ATOM 0 H VAL A 37 -5.984 -4.171 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.270 -2.808 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.204 -4.037 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.743 -3.501 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.549 -2.049 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.175 -2.841 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.688 -5.701 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.152 -5.210 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.291 -5.942 -7.560 1.00 0.00 H new ATOM 607 N PRO A 38 -5.910 -1.129 -8.823 1.00 0.00 N ATOM 608 CA PRO A 38 -5.901 0.018 -9.726 1.00 0.00 C ATOM 609 C PRO A 38 -4.803 1.039 -9.381 1.00 0.00 C ATOM 610 O PRO A 38 -4.399 1.812 -10.252 1.00 0.00 O ATOM 611 CB PRO A 38 -7.307 0.624 -9.637 1.00 0.00 C ATOM 612 CG PRO A 38 -7.824 0.163 -8.274 1.00 0.00 C ATOM 613 CD PRO A 38 -7.162 -1.201 -8.091 1.00 0.00 C ATOM 0 HA PRO A 38 -5.664 -0.291 -10.744 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.278 1.711 -9.706 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.946 0.271 -10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.543 0.856 -7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.911 0.088 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.988 -1.414 -7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.796 -1.999 -8.477 1.00 0.00 H new ATOM 621 N ASP A 39 -4.310 1.061 -8.135 1.00 0.00 N ATOM 622 CA ASP A 39 -3.171 1.885 -7.735 1.00 0.00 C ATOM 623 C ASP A 39 -1.876 1.301 -8.308 1.00 0.00 C ATOM 624 O ASP A 39 -1.321 0.340 -7.771 1.00 0.00 O ATOM 625 CB ASP A 39 -3.078 2.005 -6.207 1.00 0.00 C ATOM 626 CG ASP A 39 -1.842 2.811 -5.757 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.209 3.499 -6.589 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.530 2.787 -4.545 1.00 0.00 O ATOM 0 H ASP A 39 -4.696 0.502 -7.374 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.318 2.888 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.980 2.485 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.038 1.008 -5.768 1.00 0.00 H new ATOM 633 N LYS A 40 -1.375 1.892 -9.396 1.00 0.00 N ATOM 634 CA LYS A 40 -0.135 1.464 -10.044 1.00 0.00 C ATOM 635 C LYS A 40 1.102 1.586 -9.146 1.00 0.00 C ATOM 636 O LYS A 40 2.126 0.981 -9.471 1.00 0.00 O ATOM 637 CB LYS A 40 0.056 2.229 -11.364 1.00 0.00 C ATOM 638 CG LYS A 40 -0.959 1.773 -12.426 1.00 0.00 C ATOM 639 CD LYS A 40 -0.523 2.174 -13.841 1.00 0.00 C ATOM 640 CE LYS A 40 -1.580 1.724 -14.859 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.144 1.948 -16.259 1.00 0.00 N ATOM 0 H LYS A 40 -1.822 2.686 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.237 0.399 -10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.056 3.299 -11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.069 2.072 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.077 0.691 -12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.934 2.210 -12.209 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.388 3.254 -13.897 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.439 1.720 -14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.795 0.665 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.509 2.266 -14.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.937 1.757 -16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.835 2.934 -16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.354 1.309 -16.483 1.00 0.00 H new ATOM 655 N ASN A 41 1.031 2.332 -8.037 1.00 0.00 N ATOM 656 CA ASN A 41 2.134 2.513 -7.094 1.00 0.00 C ATOM 657 C ASN A 41 1.992 1.557 -5.898 1.00 0.00 C ATOM 658 O ASN A 41 2.756 1.660 -4.937 1.00 0.00 O ATOM 659 CB ASN A 41 2.192 3.986 -6.642 1.00 0.00 C ATOM 660 CG ASN A 41 3.609 4.470 -6.324 1.00 0.00 C ATOM 661 OD1 ASN A 41 4.121 5.376 -6.974 1.00 0.00 O ATOM 662 ND2 ASN A 41 4.273 3.911 -5.328 1.00 0.00 N ATOM 0 H ASN A 41 0.186 2.836 -7.767 1.00 0.00 H new ATOM 0 HA ASN A 41 3.074 2.269 -7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.768 4.615 -7.425 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.566 4.112 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.213 4.232 -5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.845 3.158 -4.789 1.00 0.00 H new ATOM 669 N ASP A 42 1.019 0.639 -5.901 1.00 0.00 N ATOM 670 CA ASP A 42 0.979 -0.430 -4.903 1.00 0.00 C ATOM 671 C ASP A 42 2.199 -1.326 -5.088 1.00 0.00 C ATOM 672 O ASP A 42 2.630 -1.553 -6.224 1.00 0.00 O ATOM 673 CB ASP A 42 -0.256 -1.306 -5.069 1.00 0.00 C ATOM 674 CG ASP A 42 -0.434 -2.197 -3.843 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.003 -1.709 -2.842 1.00 0.00 O ATOM 676 OD2 ASP A 42 0.031 -3.354 -3.880 1.00 0.00 O ATOM 0 H ASP A 42 0.256 0.616 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 42 0.961 0.036 -3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.139 -0.682 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.158 -1.920 -5.964 1.00 0.00 H new ATOM 681 N THR A 43 2.733 -1.871 -3.999 1.00 0.00 N ATOM 682 CA THR A 43 3.781 -2.866 -4.074 1.00 0.00 C ATOM 683 C THR A 43 3.200 -4.216 -4.508 1.00 0.00 C ATOM 684 O THR A 43 2.942 -5.099 -3.687 1.00 0.00 O ATOM 685 CB THR A 43 4.601 -2.926 -2.783 1.00 0.00 C ATOM 686 OG1 THR A 43 4.976 -1.624 -2.377 1.00 0.00 O ATOM 687 CG2 THR A 43 5.846 -3.764 -3.050 1.00 0.00 C ATOM 0 H THR A 43 2.449 -1.633 -3.049 1.00 0.00 H new ATOM 0 HA THR A 43 4.495 -2.574 -4.844 1.00 0.00 H new ATOM 0 HB THR A 43 4.006 -3.372 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.489 -1.193 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.447 -3.821 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.550 -4.768 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.432 -3.302 -3.845 1.00 0.00 H new ATOM 695 N VAL A 44 2.990 -4.376 -5.810 1.00 0.00 N ATOM 696 CA VAL A 44 2.575 -5.637 -6.403 1.00 0.00 C ATOM 697 C VAL A 44 3.788 -6.570 -6.362 1.00 0.00 C ATOM 698 O VAL A 44 4.654 -6.521 -7.243 1.00 0.00 O ATOM 699 CB VAL A 44 2.006 -5.426 -7.824 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.399 -6.737 -8.336 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.895 -4.363 -7.850 1.00 0.00 C ATOM 0 H VAL A 44 3.105 -3.624 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 44 1.757 -6.092 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 44 2.833 -5.094 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.998 -6.585 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.169 -7.507 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.597 -7.052 -7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.525 -4.248 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.078 -4.675 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.294 -3.411 -7.500 1.00 0.00 H new ATOM 711 N LYS A 45 3.888 -7.386 -5.310 1.00 0.00 N ATOM 712 CA LYS A 45 4.855 -8.472 -5.262 1.00 0.00 C ATOM 713 C LYS A 45 4.377 -9.518 -6.260 1.00 0.00 C ATOM 714 O LYS A 45 3.179 -9.815 -6.302 1.00 0.00 O ATOM 715 CB LYS A 45 4.952 -9.097 -3.860 1.00 0.00 C ATOM 716 CG LYS A 45 5.290 -8.107 -2.735 1.00 0.00 C ATOM 717 CD LYS A 45 6.696 -8.322 -2.165 1.00 0.00 C ATOM 718 CE LYS A 45 6.864 -7.472 -0.900 1.00 0.00 C ATOM 719 NZ LYS A 45 8.224 -7.583 -0.326 1.00 0.00 N ATOM 0 H LYS A 45 3.304 -7.310 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 45 5.849 -8.095 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.003 -9.580 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.712 -9.878 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.208 -7.089 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.558 -8.209 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.850 -9.376 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.447 -8.046 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.655 -6.428 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.131 -7.783 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.333 -6.892 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.366 -8.543 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.930 -7.392 -1.066 1.00 0.00 H new ATOM 733 N VAL A 46 5.293 -10.132 -6.999 1.00 0.00 N ATOM 734 CA VAL A 46 4.969 -11.215 -7.922 1.00 0.00 C ATOM 735 C VAL A 46 5.847 -12.416 -7.585 1.00 0.00 C ATOM 736 O VAL A 46 7.055 -12.258 -7.391 1.00 0.00 O ATOM 737 CB VAL A 46 5.079 -10.752 -9.394 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.965 -9.753 -9.739 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.428 -10.116 -9.767 1.00 0.00 C ATOM 0 H VAL A 46 6.284 -9.893 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 46 3.929 -11.519 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 46 4.982 -11.669 -9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.064 -9.442 -10.779 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.994 -10.226 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.045 -8.880 -9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.414 -9.822 -10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.600 -9.237 -9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.228 -10.838 -9.603 1.00 0.00 H new ATOM 749 N TYR A 47 5.255 -13.611 -7.515 1.00 0.00 N ATOM 750 CA TYR A 47 5.971 -14.858 -7.262 1.00 0.00 C ATOM 751 C TYR A 47 5.311 -16.013 -8.021 1.00 0.00 C ATOM 752 O TYR A 47 4.191 -15.865 -8.513 1.00 0.00 O ATOM 753 CB TYR A 47 6.058 -15.144 -5.757 1.00 0.00 C ATOM 754 CG TYR A 47 4.818 -15.730 -5.106 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.782 -14.885 -4.665 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.720 -17.122 -4.908 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.663 -15.424 -4.007 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.600 -17.667 -4.259 1.00 0.00 C ATOM 759 CZ TYR A 47 2.574 -16.819 -3.793 1.00 0.00 C ATOM 760 OH TYR A 47 1.503 -17.362 -3.146 1.00 0.00 O ATOM 0 H TYR A 47 4.250 -13.738 -7.635 1.00 0.00 H new ATOM 0 HA TYR A 47 6.992 -14.756 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.889 -15.829 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.304 -14.213 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.847 -13.820 -4.833 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.509 -17.772 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.872 -14.773 -3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.525 -18.735 -4.117 1.00 0.00 H new ATOM 0 HH TYR A 47 1.486 -18.330 -3.297 1.00 0.00 H new ATOM 770 N CYS A 48 6.007 -17.145 -8.149 1.00 0.00 N ATOM 771 CA CYS A 48 5.544 -18.360 -8.797 1.00 0.00 C ATOM 772 C CYS A 48 6.438 -19.526 -8.357 1.00 0.00 C ATOM 773 O CYS A 48 7.173 -19.419 -7.376 1.00 0.00 O ATOM 774 CB CYS A 48 5.555 -18.163 -10.326 1.00 0.00 C ATOM 775 SG CYS A 48 7.259 -17.949 -10.910 1.00 0.00 S ATOM 0 H CYS A 48 6.955 -17.237 -7.783 1.00 0.00 H new ATOM 0 HA CYS A 48 4.519 -18.590 -8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.099 -19.024 -10.815 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.958 -17.291 -10.593 1.00 0.00 H new ATOM 0 HG CYS A 48 7.900 -19.074 -10.799 1.00 0.00 H new ATOM 781 N ASN A 49 6.410 -20.637 -9.099 1.00 0.00 N ATOM 782 CA ASN A 49 7.304 -21.769 -8.877 1.00 0.00 C ATOM 783 C ASN A 49 8.719 -21.357 -9.288 1.00 0.00 C ATOM 784 O ASN A 49 8.938 -21.038 -10.459 1.00 0.00 O ATOM 785 CB ASN A 49 6.813 -22.975 -9.697 1.00 0.00 C ATOM 786 CG ASN A 49 7.615 -24.238 -9.397 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.837 -24.254 -9.503 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.952 -25.318 -9.026 1.00 0.00 N ATOM 0 H ASN A 49 5.761 -20.774 -9.874 1.00 0.00 H new ATOM 0 HA ASN A 49 7.312 -22.057 -7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.760 -23.155 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.886 -22.744 -10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.456 -26.181 -8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.936 -25.289 -8.942 1.00 0.00 H new ATOM 795 N ALA A 50 9.665 -21.364 -8.344 1.00 0.00 N ATOM 796 CA ALA A 50 11.089 -21.063 -8.539 1.00 0.00 C ATOM 797 C ALA A 50 11.380 -19.757 -9.308 1.00 0.00 C ATOM 798 O ALA A 50 12.443 -19.622 -9.918 1.00 0.00 O ATOM 799 CB ALA A 50 11.783 -22.287 -9.157 1.00 0.00 C ATOM 0 H ALA A 50 9.449 -21.591 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 50 11.512 -20.864 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.841 -22.070 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.678 -23.141 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.323 -22.520 -10.118 1.00 0.00 H new ATOM 805 N GLY A 51 10.452 -18.794 -9.302 1.00 0.00 N ATOM 806 CA GLY A 51 10.618 -17.493 -9.945 1.00 0.00 C ATOM 807 C GLY A 51 10.612 -17.520 -11.479 1.00 0.00 C ATOM 808 O GLY A 51 10.859 -16.486 -12.104 1.00 0.00 O ATOM 0 H GLY A 51 9.549 -18.902 -8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.820 -16.833 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.558 -17.056 -9.608 1.00 0.00 H new ATOM 812 N ARG A 52 10.326 -18.669 -12.110 1.00 0.00 N ATOM 813 CA ARG A 52 10.453 -18.851 -13.563 1.00 0.00 C ATOM 814 C ARG A 52 9.541 -17.942 -14.397 1.00 0.00 C ATOM 815 O ARG A 52 9.819 -17.724 -15.575 1.00 0.00 O ATOM 816 CB ARG A 52 10.244 -20.336 -13.914 1.00 0.00 C ATOM 817 CG ARG A 52 8.781 -20.808 -13.791 1.00 0.00 C ATOM 818 CD ARG A 52 8.658 -22.332 -13.884 1.00 0.00 C ATOM 819 NE ARG A 52 9.302 -23.011 -12.741 1.00 0.00 N ATOM 820 CZ ARG A 52 10.123 -24.071 -12.803 1.00 0.00 C ATOM 821 NH1 ARG A 52 10.539 -24.551 -13.973 1.00 0.00 N ATOM 822 NH2 ARG A 52 10.527 -24.656 -11.682 1.00 0.00 N ATOM 0 H ARG A 52 9.998 -19.503 -11.623 1.00 0.00 H new ATOM 0 HA ARG A 52 11.464 -18.544 -13.832 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.587 -20.510 -14.934 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.868 -20.945 -13.260 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.370 -20.469 -12.840 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.184 -20.348 -14.579 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.604 -22.609 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.113 -22.676 -14.813 1.00 0.00 H new ATOM 0 HE ARG A 52 9.103 -22.637 -11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.234 -24.112 -14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.163 -25.357 -14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.213 -24.300 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.151 -25.462 -11.723 1.00 0.00 H new ATOM 836 N GLN A 53 8.459 -17.428 -13.805 1.00 0.00 N ATOM 837 CA GLN A 53 7.408 -16.669 -14.479 1.00 0.00 C ATOM 838 C GLN A 53 7.179 -15.324 -13.783 1.00 0.00 C ATOM 839 O GLN A 53 6.743 -14.378 -14.435 1.00 0.00 O ATOM 840 CB GLN A 53 6.145 -17.557 -14.528 1.00 0.00 C ATOM 841 CG GLN A 53 4.985 -17.001 -15.356 1.00 0.00 C ATOM 842 CD GLN A 53 4.017 -18.104 -15.799 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.290 -18.834 -16.749 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.874 -18.270 -15.149 1.00 0.00 N ATOM 0 H GLN A 53 8.287 -17.535 -12.805 1.00 0.00 H new ATOM 0 HA GLN A 53 7.694 -16.419 -15.501 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.422 -18.532 -14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.796 -17.720 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.444 -16.258 -14.770 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.379 -16.489 -16.234 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.644 -17.666 -14.360 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.225 -19.002 -15.438 1.00 0.00 H new ATOM 853 N SER A 54 7.523 -15.178 -12.499 1.00 0.00 N ATOM 854 CA SER A 54 7.417 -13.903 -11.805 1.00 0.00 C ATOM 855 C SER A 54 8.449 -12.902 -12.323 1.00 0.00 C ATOM 856 O SER A 54 8.186 -11.700 -12.311 1.00 0.00 O ATOM 857 CB SER A 54 7.547 -14.132 -10.301 1.00 0.00 C ATOM 858 OG SER A 54 8.805 -14.694 -9.983 1.00 0.00 O ATOM 0 H SER A 54 7.880 -15.938 -11.920 1.00 0.00 H new ATOM 0 HA SER A 54 6.438 -13.467 -12.004 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.423 -13.187 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.752 -14.795 -9.960 1.00 0.00 H new ATOM 0 HG SER A 54 8.770 -15.087 -9.086 1.00 0.00 H new ATOM 864 N GLY A 55 9.615 -13.371 -12.785 1.00 0.00 N ATOM 865 CA GLY A 55 10.616 -12.509 -13.402 1.00 0.00 C ATOM 866 C GLY A 55 10.031 -11.847 -14.646 1.00 0.00 C ATOM 867 O GLY A 55 10.090 -10.625 -14.790 1.00 0.00 O ATOM 0 H GLY A 55 9.885 -14.354 -12.739 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.941 -11.748 -12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.497 -13.093 -13.669 1.00 0.00 H new ATOM 871 N GLN A 56 9.378 -12.642 -15.501 1.00 0.00 N ATOM 872 CA GLN A 56 8.675 -12.127 -16.667 1.00 0.00 C ATOM 873 C GLN A 56 7.518 -11.218 -16.235 1.00 0.00 C ATOM 874 O GLN A 56 7.299 -10.181 -16.865 1.00 0.00 O ATOM 875 CB GLN A 56 8.203 -13.305 -17.542 1.00 0.00 C ATOM 876 CG GLN A 56 7.548 -12.889 -18.867 1.00 0.00 C ATOM 877 CD GLN A 56 8.443 -12.019 -19.754 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.162 -12.515 -20.618 1.00 0.00 O ATOM 879 NE2 GLN A 56 8.421 -10.707 -19.565 1.00 0.00 N ATOM 0 H GLN A 56 9.326 -13.656 -15.399 1.00 0.00 H new ATOM 0 HA GLN A 56 9.348 -11.515 -17.267 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.058 -13.946 -17.759 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.492 -13.903 -16.972 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.267 -13.786 -19.419 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.628 -12.346 -18.652 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.820 -10.305 -18.845 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.005 -10.099 -20.140 1.00 0.00 H new ATOM 888 N ALA A 57 6.799 -11.575 -15.165 1.00 0.00 N ATOM 889 CA ALA A 57 5.683 -10.789 -14.656 1.00 0.00 C ATOM 890 C ALA A 57 6.118 -9.400 -14.194 1.00 0.00 C ATOM 891 O ALA A 57 5.407 -8.437 -14.469 1.00 0.00 O ATOM 892 CB ALA A 57 4.979 -11.517 -13.513 1.00 0.00 C ATOM 0 H ALA A 57 6.981 -12.423 -14.629 1.00 0.00 H new ATOM 0 HA ALA A 57 4.986 -10.663 -15.485 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.150 -10.909 -13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.599 -12.474 -13.871 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.685 -11.688 -12.701 1.00 0.00 H new ATOM 898 N LYS A 58 7.276 -9.270 -13.532 1.00 0.00 N ATOM 899 CA LYS A 58 7.779 -7.962 -13.111 1.00 0.00 C ATOM 900 C LYS A 58 7.893 -7.045 -14.332 1.00 0.00 C ATOM 901 O LYS A 58 7.469 -5.888 -14.285 1.00 0.00 O ATOM 902 CB LYS A 58 9.114 -8.091 -12.353 1.00 0.00 C ATOM 903 CG LYS A 58 9.694 -6.691 -12.084 1.00 0.00 C ATOM 904 CD LYS A 58 10.860 -6.655 -11.090 1.00 0.00 C ATOM 905 CE LYS A 58 11.733 -5.409 -11.313 1.00 0.00 C ATOM 906 NZ LYS A 58 12.601 -5.520 -12.516 1.00 0.00 N ATOM 0 H LYS A 58 7.878 -10.054 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 58 7.074 -7.515 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.960 -8.618 -11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.820 -8.682 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.029 -6.265 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.897 -6.049 -11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.474 -6.656 -10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.467 -7.554 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.090 -4.534 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.357 -5.246 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.142 -4.640 -12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.259 -6.317 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.010 -5.681 -13.357 1.00 0.00 H new ATOM 920 N GLU A 59 8.446 -7.554 -15.431 1.00 0.00 N ATOM 921 CA GLU A 59 8.696 -6.746 -16.617 1.00 0.00 C ATOM 922 C GLU A 59 7.383 -6.469 -17.356 1.00 0.00 C ATOM 923 O GLU A 59 7.195 -5.373 -17.876 1.00 0.00 O ATOM 924 CB GLU A 59 9.726 -7.437 -17.523 1.00 0.00 C ATOM 925 CG GLU A 59 11.091 -7.651 -16.843 1.00 0.00 C ATOM 926 CD GLU A 59 11.725 -6.345 -16.326 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.232 -5.548 -17.149 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.740 -6.120 -15.094 1.00 0.00 O ATOM 0 H GLU A 59 8.730 -8.529 -15.522 1.00 0.00 H new ATOM 0 HA GLU A 59 9.114 -5.785 -16.316 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.331 -8.402 -17.840 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.866 -6.839 -18.423 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.970 -8.343 -16.009 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.772 -8.122 -17.551 1.00 0.00 H new ATOM 935 N ILE A 60 6.441 -7.415 -17.349 1.00 0.00 N ATOM 936 CA ILE A 60 5.095 -7.232 -17.888 1.00 0.00 C ATOM 937 C ILE A 60 4.373 -6.110 -17.132 1.00 0.00 C ATOM 938 O ILE A 60 3.769 -5.240 -17.757 1.00 0.00 O ATOM 939 CB ILE A 60 4.363 -8.598 -17.835 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.771 -9.427 -19.072 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.837 -8.479 -17.722 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.333 -10.894 -19.003 1.00 0.00 C ATOM 0 H ILE A 60 6.597 -8.345 -16.961 1.00 0.00 H new ATOM 0 HA ILE A 60 5.120 -6.913 -18.930 1.00 0.00 H new ATOM 0 HB ILE A 60 4.673 -9.104 -16.921 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.340 -8.970 -19.963 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.854 -9.386 -19.185 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.396 -9.475 -17.690 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.581 -7.939 -16.810 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.449 -7.938 -18.585 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.655 -11.413 -19.906 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.785 -11.368 -18.132 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.247 -10.946 -18.922 1.00 0.00 H new ATOM 954 N LEU A 61 4.439 -6.086 -15.801 1.00 0.00 N ATOM 955 CA LEU A 61 3.789 -5.033 -15.029 1.00 0.00 C ATOM 956 C LEU A 61 4.524 -3.702 -15.207 1.00 0.00 C ATOM 957 O LEU A 61 3.885 -2.650 -15.212 1.00 0.00 O ATOM 958 CB LEU A 61 3.686 -5.438 -13.552 1.00 0.00 C ATOM 959 CG LEU A 61 2.731 -6.612 -13.262 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.633 -6.801 -11.744 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.328 -6.407 -13.845 1.00 0.00 C ATOM 0 H LEU A 61 4.933 -6.780 -15.240 1.00 0.00 H new ATOM 0 HA LEU A 61 2.774 -4.896 -15.403 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.681 -5.702 -13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.359 -4.573 -12.976 1.00 0.00 H new ATOM 0 HG LEU A 61 3.143 -7.498 -13.746 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.960 -7.629 -11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.622 -7.019 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.248 -5.889 -11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.705 -7.269 -13.606 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.884 -5.508 -13.417 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.396 -6.298 -14.927 1.00 0.00 H new ATOM 973 N SER A 62 5.842 -3.730 -15.423 1.00 0.00 N ATOM 974 CA SER A 62 6.602 -2.540 -15.789 1.00 0.00 C ATOM 975 C SER A 62 6.147 -2.006 -17.157 1.00 0.00 C ATOM 976 O SER A 62 6.010 -0.795 -17.322 1.00 0.00 O ATOM 977 CB SER A 62 8.105 -2.845 -15.785 1.00 0.00 C ATOM 978 OG SER A 62 8.520 -3.390 -14.544 1.00 0.00 O ATOM 0 H SER A 62 6.407 -4.576 -15.349 1.00 0.00 H new ATOM 0 HA SER A 62 6.412 -1.763 -15.048 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.338 -3.545 -16.587 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.664 -1.931 -15.988 1.00 0.00 H new ATOM 0 HG SER A 62 8.226 -4.323 -14.482 1.00 0.00 H new ATOM 984 N GLU A 63 5.844 -2.883 -18.122 1.00 0.00 N ATOM 985 CA GLU A 63 5.292 -2.516 -19.424 1.00 0.00 C ATOM 986 C GLU A 63 3.892 -1.898 -19.259 1.00 0.00 C ATOM 987 O GLU A 63 3.573 -0.916 -19.930 1.00 0.00 O ATOM 988 CB GLU A 63 5.299 -3.751 -20.345 1.00 0.00 C ATOM 989 CG GLU A 63 4.730 -3.479 -21.742 1.00 0.00 C ATOM 990 CD GLU A 63 4.796 -4.731 -22.633 1.00 0.00 C ATOM 991 OE1 GLU A 63 3.838 -5.539 -22.614 1.00 0.00 O ATOM 992 OE2 GLU A 63 5.790 -4.906 -23.375 1.00 0.00 O ATOM 0 H GLU A 63 5.980 -3.888 -18.013 1.00 0.00 H new ATOM 0 HA GLU A 63 5.911 -1.752 -19.894 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.322 -4.115 -20.443 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.721 -4.547 -19.875 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.695 -3.147 -21.656 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.287 -2.668 -22.211 1.00 0.00 H new ATOM 999 N MET A 64 3.083 -2.408 -18.320 1.00 0.00 N ATOM 1000 CA MET A 64 1.807 -1.799 -17.926 1.00 0.00 C ATOM 1001 C MET A 64 1.994 -0.479 -17.154 1.00 0.00 C ATOM 1002 O MET A 64 1.005 0.190 -16.842 1.00 0.00 O ATOM 1003 CB MET A 64 0.971 -2.781 -17.089 1.00 0.00 C ATOM 1004 CG MET A 64 0.515 -4.021 -17.862 1.00 0.00 C ATOM 1005 SD MET A 64 -0.464 -5.175 -16.861 1.00 0.00 S ATOM 1006 CE MET A 64 -2.050 -4.298 -16.771 1.00 0.00 C ATOM 0 H MET A 64 3.299 -3.263 -17.808 1.00 0.00 H new ATOM 0 HA MET A 64 1.276 -1.565 -18.849 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.557 -3.098 -16.226 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.093 -2.261 -16.705 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.076 -3.707 -18.722 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.391 -4.541 -18.250 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.778 -4.916 -16.246 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.917 -3.359 -16.233 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.409 -4.091 -17.779 1.00 0.00 H new ATOM 1016 N GLY A 65 3.228 -0.081 -16.834 1.00 0.00 N ATOM 1017 CA GLY A 65 3.534 1.192 -16.199 1.00 0.00 C ATOM 1018 C GLY A 65 3.320 1.178 -14.686 1.00 0.00 C ATOM 1019 O GLY A 65 3.161 2.248 -14.099 1.00 0.00 O ATOM 0 H GLY A 65 4.055 -0.650 -17.015 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.570 1.456 -16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.911 1.970 -16.640 1.00 0.00 H new ATOM 1023 N TYR A 66 3.278 0.005 -14.043 1.00 0.00 N ATOM 1024 CA TYR A 66 3.227 -0.080 -12.586 1.00 0.00 C ATOM 1025 C TYR A 66 4.577 0.400 -12.052 1.00 0.00 C ATOM 1026 O TYR A 66 5.631 -0.015 -12.540 1.00 0.00 O ATOM 1027 CB TYR A 66 2.843 -1.492 -12.113 1.00 0.00 C ATOM 1028 CG TYR A 66 1.356 -1.796 -12.252 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.745 -1.785 -13.521 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.566 -2.035 -11.108 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.645 -1.933 -13.649 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.826 -2.212 -11.229 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.442 -2.125 -12.499 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.798 -2.197 -12.612 1.00 0.00 O ATOM 0 H TYR A 66 3.279 -0.899 -14.515 1.00 0.00 H new ATOM 0 HA TYR A 66 2.442 0.562 -12.186 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.411 -2.225 -12.686 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.134 -1.608 -11.069 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.353 -1.661 -14.405 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.031 -2.082 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.104 -1.900 -14.626 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.423 -2.414 -10.352 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.208 -2.037 -11.736 1.00 0.00 H new ATOM 1044 N THR A 67 4.548 1.289 -11.062 1.00 0.00 N ATOM 1045 CA THR A 67 5.709 2.046 -10.605 1.00 0.00 C ATOM 1046 C THR A 67 6.373 1.433 -9.368 1.00 0.00 C ATOM 1047 O THR A 67 7.442 1.899 -8.966 1.00 0.00 O ATOM 1048 CB THR A 67 5.266 3.501 -10.352 1.00 0.00 C ATOM 1049 OG1 THR A 67 4.050 3.532 -9.624 1.00 0.00 O ATOM 1050 CG2 THR A 67 5.029 4.248 -11.669 1.00 0.00 C ATOM 0 H THR A 67 3.697 1.507 -10.544 1.00 0.00 H new ATOM 0 HA THR A 67 6.474 2.017 -11.381 1.00 0.00 H new ATOM 0 HB THR A 67 6.067 3.981 -9.789 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.784 4.463 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.718 5.271 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.951 4.263 -12.250 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.249 3.743 -12.239 1.00 0.00 H new ATOM 1058 N HIS A 68 5.779 0.393 -8.766 1.00 0.00 N ATOM 1059 CA HIS A 68 6.255 -0.170 -7.503 1.00 0.00 C ATOM 1060 C HIS A 68 6.208 -1.701 -7.503 1.00 0.00 C ATOM 1061 O HIS A 68 6.039 -2.333 -6.463 1.00 0.00 O ATOM 1062 CB HIS A 68 5.489 0.484 -6.335 1.00 0.00 C ATOM 1063 CG HIS A 68 6.374 0.888 -5.188 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.470 0.290 -3.951 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.200 1.978 -5.176 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.342 1.000 -3.216 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.821 2.044 -3.921 1.00 0.00 N ATOM 0 H HIS A 68 4.957 -0.078 -9.143 1.00 0.00 H new ATOM 0 HA HIS A 68 7.311 0.066 -7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.962 1.364 -6.704 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.733 -0.212 -5.972 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.348 2.669 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.621 0.766 -2.199 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.497 2.740 -3.606 1.00 0.00 H new ATOM 1075 N VAL A 69 6.357 -2.310 -8.680 1.00 0.00 N ATOM 1076 CA VAL A 69 6.478 -3.754 -8.822 1.00 0.00 C ATOM 1077 C VAL A 69 7.643 -4.256 -7.959 1.00 0.00 C ATOM 1078 O VAL A 69 8.636 -3.543 -7.776 1.00 0.00 O ATOM 1079 CB VAL A 69 6.671 -4.116 -10.309 1.00 0.00 C ATOM 1080 CG1 VAL A 69 5.511 -3.602 -11.171 1.00 0.00 C ATOM 1081 CG2 VAL A 69 7.988 -3.608 -10.919 1.00 0.00 C ATOM 0 H VAL A 69 6.397 -1.807 -9.566 1.00 0.00 H new ATOM 0 HA VAL A 69 5.567 -4.243 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 69 6.701 -5.206 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.682 -3.876 -12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.577 -4.047 -10.827 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.448 -2.517 -11.087 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.043 -3.906 -11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.026 -2.521 -10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.830 -4.037 -10.375 1.00 0.00 H new ATOM 1091 N GLU A 70 7.565 -5.495 -7.473 1.00 0.00 N ATOM 1092 CA GLU A 70 8.684 -6.122 -6.792 1.00 0.00 C ATOM 1093 C GLU A 70 8.660 -7.611 -7.115 1.00 0.00 C ATOM 1094 O GLU A 70 7.636 -8.274 -6.945 1.00 0.00 O ATOM 1095 CB GLU A 70 8.601 -5.839 -5.280 1.00 0.00 C ATOM 1096 CG GLU A 70 9.963 -6.092 -4.628 1.00 0.00 C ATOM 1097 CD GLU A 70 10.000 -5.664 -3.153 1.00 0.00 C ATOM 1098 OE1 GLU A 70 10.215 -4.465 -2.864 1.00 0.00 O ATOM 1099 OE2 GLU A 70 9.850 -6.537 -2.270 1.00 0.00 O ATOM 0 H GLU A 70 6.733 -6.081 -7.542 1.00 0.00 H new ATOM 0 HA GLU A 70 9.635 -5.713 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.293 -4.807 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.845 -6.477 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.205 -7.152 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.732 -5.550 -5.179 1.00 0.00 H new ATOM 1106 N ASN A 71 9.771 -8.150 -7.617 1.00 0.00 N ATOM 1107 CA ASN A 71 9.870 -9.588 -7.812 1.00 0.00 C ATOM 1108 C ASN A 71 10.162 -10.240 -6.462 1.00 0.00 C ATOM 1109 O ASN A 71 11.037 -9.767 -5.733 1.00 0.00 O ATOM 1110 CB ASN A 71 10.964 -9.937 -8.824 1.00 0.00 C ATOM 1111 CG ASN A 71 10.900 -11.431 -9.087 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.589 -12.220 -8.452 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.998 -11.854 -9.953 1.00 0.00 N ATOM 0 H ASN A 71 10.599 -7.620 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 71 8.928 -9.963 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.818 -9.380 -9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.944 -9.660 -8.436 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.865 -12.854 -10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.434 -11.181 -10.472 1.00 0.00 H new ATOM 1120 N ALA A 72 9.462 -11.331 -6.147 1.00 0.00 N ATOM 1121 CA ALA A 72 9.578 -12.045 -4.881 1.00 0.00 C ATOM 1122 C ALA A 72 9.965 -13.518 -5.098 1.00 0.00 C ATOM 1123 O ALA A 72 9.822 -14.328 -4.184 1.00 0.00 O ATOM 1124 CB ALA A 72 8.272 -11.875 -4.092 1.00 0.00 C ATOM 0 H ALA A 72 8.783 -11.750 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 72 10.388 -11.619 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.349 -12.406 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.097 -10.816 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.442 -12.283 -4.670 1.00 0.00 H new ATOM 1130 N GLY A 73 10.479 -13.873 -6.281 1.00 0.00 N ATOM 1131 CA GLY A 73 11.006 -15.199 -6.572 1.00 0.00 C ATOM 1132 C GLY A 73 9.915 -16.259 -6.491 1.00 0.00 C ATOM 1133 O GLY A 73 8.982 -16.244 -7.301 1.00 0.00 O ATOM 0 H GLY A 73 10.539 -13.232 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.449 -15.206 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.802 -15.439 -5.867 1.00 0.00 H new ATOM 1137 N GLY A 74 10.035 -17.180 -5.534 1.00 0.00 N ATOM 1138 CA GLY A 74 9.118 -18.292 -5.376 1.00 0.00 C ATOM 1139 C GLY A 74 9.163 -18.877 -3.972 1.00 0.00 C ATOM 1140 O GLY A 74 10.032 -18.545 -3.164 1.00 0.00 O ATOM 0 H GLY A 74 10.784 -17.168 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.104 -17.959 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.363 -19.069 -6.100 1.00 0.00 H new ATOM 1144 N LEU A 75 8.212 -19.773 -3.695 1.00 0.00 N ATOM 1145 CA LEU A 75 7.889 -20.302 -2.363 1.00 0.00 C ATOM 1146 C LEU A 75 9.069 -20.906 -1.597 1.00 0.00 C ATOM 1147 O LEU A 75 8.993 -21.000 -0.370 1.00 0.00 O ATOM 1148 CB LEU A 75 6.770 -21.354 -2.493 1.00 0.00 C ATOM 1149 CG LEU A 75 5.386 -20.756 -2.798 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.452 -21.849 -3.315 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.752 -20.108 -1.562 1.00 0.00 C ATOM 0 H LEU A 75 7.618 -20.168 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 75 7.571 -19.442 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.034 -22.056 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.712 -21.925 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 75 5.528 -19.983 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.473 -21.420 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.866 -22.281 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.349 -22.627 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.776 -19.700 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.633 -20.857 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.396 -19.306 -1.201 1.00 0.00 H new ATOM 1163 N LYS A 76 10.141 -21.317 -2.279 1.00 0.00 N ATOM 1164 CA LYS A 76 11.323 -21.887 -1.633 1.00 0.00 C ATOM 1165 C LYS A 76 12.172 -20.833 -0.918 1.00 0.00 C ATOM 1166 O LYS A 76 12.995 -21.205 -0.081 1.00 0.00 O ATOM 1167 CB LYS A 76 12.178 -22.649 -2.662 1.00 0.00 C ATOM 1168 CG LYS A 76 11.441 -23.855 -3.268 1.00 0.00 C ATOM 1169 CD LYS A 76 12.352 -24.633 -4.227 1.00 0.00 C ATOM 1170 CE LYS A 76 11.600 -25.838 -4.810 1.00 0.00 C ATOM 1171 NZ LYS A 76 12.450 -26.643 -5.723 1.00 0.00 N ATOM 0 H LYS A 76 10.213 -21.263 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 76 10.965 -22.579 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.470 -21.968 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.095 -22.992 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.099 -24.515 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.554 -23.513 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.687 -23.980 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.244 -24.972 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.244 -26.470 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.720 -25.488 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.900 -27.445 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.769 -26.049 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.277 -27.000 -5.203 1.00 0.00 H new ATOM 1185 N ASP A 77 11.997 -19.543 -1.223 1.00 0.00 N ATOM 1186 CA ASP A 77 12.891 -18.473 -0.763 1.00 0.00 C ATOM 1187 C ASP A 77 12.131 -17.309 -0.115 1.00 0.00 C ATOM 1188 O ASP A 77 12.743 -16.434 0.498 1.00 0.00 O ATOM 1189 CB ASP A 77 13.725 -17.986 -1.957 1.00 0.00 C ATOM 1190 CG ASP A 77 14.775 -16.935 -1.554 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.712 -17.269 -0.794 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.707 -15.785 -2.046 1.00 0.00 O ATOM 0 H ASP A 77 11.225 -19.209 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 77 13.542 -18.876 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.226 -18.838 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.061 -17.561 -2.710 1.00 0.00 H new ATOM 1197 N ILE A 78 10.796 -17.295 -0.218 1.00 0.00 N ATOM 1198 CA ILE A 78 9.968 -16.180 0.253 1.00 0.00 C ATOM 1199 C ILE A 78 10.050 -16.001 1.779 1.00 0.00 C ATOM 1200 O ILE A 78 10.074 -14.863 2.250 1.00 0.00 O ATOM 1201 CB ILE A 78 8.525 -16.358 -0.279 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.483 -15.930 -1.757 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.490 -15.549 0.510 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.198 -16.332 -2.484 1.00 0.00 C ATOM 0 H ILE A 78 10.260 -18.058 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 78 10.355 -15.244 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 78 8.263 -17.410 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.598 -14.848 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.335 -16.369 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.499 -15.716 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.499 -15.866 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.735 -14.489 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.245 -15.995 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.090 -17.416 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.342 -15.871 -1.991 1.00 0.00 H new ATOM 1216 N ALA A 79 10.126 -17.104 2.536 1.00 0.00 N ATOM 1217 CA ALA A 79 10.118 -17.126 4.001 1.00 0.00 C ATOM 1218 C ALA A 79 9.009 -16.234 4.602 1.00 0.00 C ATOM 1219 O ALA A 79 9.281 -15.293 5.353 1.00 0.00 O ATOM 1220 CB ALA A 79 11.526 -16.828 4.541 1.00 0.00 C ATOM 0 H ALA A 79 10.197 -18.037 2.129 1.00 0.00 H new ATOM 0 HA ALA A 79 9.858 -18.131 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.509 -16.847 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.223 -17.582 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.846 -15.843 4.200 1.00 0.00 H new ATOM 1226 N MET A 80 7.752 -16.546 4.266 1.00 0.00 N ATOM 1227 CA MET A 80 6.534 -15.918 4.796 1.00 0.00 C ATOM 1228 C MET A 80 5.586 -17.034 5.263 1.00 0.00 C ATOM 1229 O MET A 80 5.777 -18.186 4.855 1.00 0.00 O ATOM 1230 CB MET A 80 5.847 -15.076 3.700 1.00 0.00 C ATOM 1231 CG MET A 80 6.612 -13.797 3.337 1.00 0.00 C ATOM 1232 SD MET A 80 6.583 -12.486 4.594 1.00 0.00 S ATOM 1233 CE MET A 80 4.890 -11.868 4.379 1.00 0.00 C ATOM 0 H MET A 80 7.546 -17.277 3.585 1.00 0.00 H new ATOM 0 HA MET A 80 6.786 -15.259 5.627 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.731 -15.686 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.845 -14.807 4.035 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.650 -14.060 3.135 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.199 -13.398 2.411 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.892 -10.779 4.423 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.505 -12.192 3.412 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.255 -12.262 5.173 1.00 0.00 H new ATOM 1243 N PRO A 81 4.558 -16.730 6.081 1.00 0.00 N ATOM 1244 CA PRO A 81 3.517 -17.696 6.419 1.00 0.00 C ATOM 1245 C PRO A 81 2.815 -18.215 5.158 1.00 0.00 C ATOM 1246 O PRO A 81 2.772 -17.545 4.120 1.00 0.00 O ATOM 1247 CB PRO A 81 2.564 -16.979 7.383 1.00 0.00 C ATOM 1248 CG PRO A 81 2.813 -15.497 7.111 1.00 0.00 C ATOM 1249 CD PRO A 81 4.294 -15.460 6.744 1.00 0.00 C ATOM 0 HA PRO A 81 3.929 -18.585 6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.525 -17.251 7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.777 -17.236 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.187 -15.125 6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.599 -14.884 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.515 -14.620 6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.916 -15.343 7.631 1.00 0.00 H new ATOM 1257 N LYS A 82 2.227 -19.407 5.258 1.00 0.00 N ATOM 1258 CA LYS A 82 1.708 -20.172 4.124 1.00 0.00 C ATOM 1259 C LYS A 82 0.327 -20.731 4.438 1.00 0.00 C ATOM 1260 O LYS A 82 -0.148 -20.665 5.574 1.00 0.00 O ATOM 1261 CB LYS A 82 2.706 -21.309 3.794 1.00 0.00 C ATOM 1262 CG LYS A 82 3.791 -20.836 2.819 1.00 0.00 C ATOM 1263 CD LYS A 82 5.001 -21.777 2.772 1.00 0.00 C ATOM 1264 CE LYS A 82 6.106 -21.161 1.898 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.129 -22.155 1.495 1.00 0.00 N ATOM 0 H LYS A 82 2.095 -19.879 6.152 1.00 0.00 H new ATOM 0 HA LYS A 82 1.604 -19.519 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.171 -21.665 4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.168 -22.153 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.363 -20.752 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.123 -19.839 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.377 -21.952 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.704 -22.746 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.658 -20.723 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.587 -20.350 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.842 -21.695 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.589 -22.543 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.674 -22.926 0.965 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.295 -21.288 3.408 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.490 -22.112 3.445 1.00 0.00 C ATOM 1281 C VAL A 83 -1.176 -23.233 2.450 1.00 0.00 C ATOM 1282 O VAL A 83 -0.473 -23.007 1.458 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.731 -21.286 3.047 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -4.013 -22.133 3.010 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.970 -20.111 4.007 1.00 0.00 C ATOM 0 H VAL A 83 0.050 -21.165 2.456 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.727 -22.505 4.434 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.515 -20.912 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.856 -21.504 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.897 -22.937 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.196 -22.560 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.853 -19.556 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.124 -20.492 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.103 -19.450 3.996 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.635 -24.454 2.729 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.250 -25.641 1.973 1.00 0.00 C ATOM 1297 C LYS A 84 -2.464 -26.551 1.798 1.00 0.00 C ATOM 1298 O LYS A 84 -3.423 -26.459 2.571 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.103 -26.391 2.680 1.00 0.00 C ATOM 1300 CG LYS A 84 1.096 -25.518 3.107 1.00 0.00 C ATOM 1301 CD LYS A 84 2.272 -26.412 3.531 1.00 0.00 C ATOM 1302 CE LYS A 84 3.445 -25.619 4.127 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.201 -25.192 5.530 1.00 0.00 N ATOM 0 H LYS A 84 -2.287 -24.645 3.490 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.891 -25.335 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.505 -26.884 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.259 -27.175 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.398 -24.872 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.807 -24.867 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.923 -27.139 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.623 -26.975 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.346 -26.231 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.632 -24.739 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.025 -24.662 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.357 -24.585 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.050 -26.030 6.127 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.418 -27.414 0.783 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.431 -28.427 0.526 1.00 0.00 C ATOM 1319 C GLY A 85 -3.592 -29.328 1.745 1.00 0.00 C ATOM 1320 O GLY A 85 -4.743 -29.574 2.158 1.00 0.00 O ATOM 1321 OXT GLY A 85 -2.567 -29.798 2.281 1.00 0.00 O ATOM 0 H GLY A 85 -1.657 -27.425 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.382 -27.950 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.148 -29.023 -0.342 1.00 0.00 H new