USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 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 41 ASN :FLIP amide:sc= 0.795 F(o=-0.51,f=1.6) USER MOD Set 1.2: A 43 THR OG1 : rot -67:sc= 0.15 USER MOD Set 1.3: A 67 THR OG1 : rot 106:sc= 0.557 USER MOD Set 1.4: A 68 HIS :FLIP no HE2:sc= 0.132 X(o=1.1,f=1.6) USER MOD Set 2.1: A 48 CYS SG : rot -65:sc= 0.242 USER MOD Set 2.2: A 54 SER OG : rot 43:sc= 1.49 USER MOD Set 2.3: A 71 ASN : amide:sc= 1.11 K(o=2.8,f=1.4) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.99 K(o=0.99,f=-0.021) USER MOD Single : A 17 HIS : no HE2:sc= 0.221 K(o=0.22,f=-0.88) USER MOD Single : A 19 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.46) USER MOD Single : A 23 ASN : amide:sc= 0.912 K(o=0.91,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.13) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.19) USER MOD Single : A 47 TYR OH : rot -140:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.1!) USER MOD Single : A 53 GLN : amide:sc= -0.699 K(o=-0.7,f=-3.7!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 1.07 (180deg=0.92) USER MOD Single : A 62 SER OG : rot 89:sc= 1.28 USER MOD Single : A 64 MET CE :methyl -178:sc= -0.051 (180deg=-0.0688) USER MOD Single : A 66 TYR OH : rot 179:sc= 1.29 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -169:sc= -0.0673 (180deg=-0.515) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 2 (180deg=1.81) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.885 0.525 -4.218 1.00 0.00 N ATOM 14 CA GLU A 2 1.004 1.126 -5.206 1.00 0.00 C ATOM 15 C GLU A 2 -0.051 1.979 -4.497 1.00 0.00 C ATOM 16 O GLU A 2 -0.321 1.777 -3.308 1.00 0.00 O ATOM 17 CB GLU A 2 0.346 0.024 -6.068 1.00 0.00 C ATOM 18 CG GLU A 2 -0.623 -0.939 -5.355 1.00 0.00 C ATOM 19 CD GLU A 2 0.027 -1.837 -4.279 1.00 0.00 C ATOM 20 OE1 GLU A 2 1.115 -2.413 -4.514 1.00 0.00 O ATOM 21 OE2 GLU A 2 -0.567 -1.996 -3.188 1.00 0.00 O ATOM 0 HA GLU A 2 1.581 1.771 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.195 0.508 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.140 -0.569 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.416 -0.354 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.095 -1.576 -6.103 1.00 0.00 H new ATOM 28 N HIS A 3 -0.695 2.869 -5.251 1.00 0.00 N ATOM 29 CA HIS A 3 -1.875 3.626 -4.853 1.00 0.00 C ATOM 30 C HIS A 3 -2.758 3.745 -6.092 1.00 0.00 C ATOM 31 O HIS A 3 -2.237 3.871 -7.202 1.00 0.00 O ATOM 32 CB HIS A 3 -1.494 5.028 -4.346 1.00 0.00 C ATOM 33 CG HIS A 3 -0.919 5.050 -2.951 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.631 5.071 -1.771 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.408 5.103 -2.619 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.752 5.131 -0.756 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.511 5.155 -1.222 1.00 0.00 N ATOM 0 H HIS A 3 -0.392 3.090 -6.200 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.392 3.119 -4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.768 5.465 -5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.379 5.663 -4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.234 5.104 -3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.022 5.156 0.289 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.368 5.202 -0.671 1.00 0.00 H new ATOM 45 N TRP A 4 -4.078 3.731 -5.895 1.00 0.00 N ATOM 46 CA TRP A 4 -5.071 3.907 -6.947 1.00 0.00 C ATOM 47 C TRP A 4 -5.630 5.313 -6.793 1.00 0.00 C ATOM 48 O TRP A 4 -6.156 5.642 -5.727 1.00 0.00 O ATOM 49 CB TRP A 4 -6.198 2.872 -6.793 1.00 0.00 C ATOM 50 CG TRP A 4 -5.836 1.452 -7.115 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.071 0.638 -6.353 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.237 0.645 -8.267 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.959 -0.600 -6.951 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.652 -0.652 -8.142 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.047 0.874 -9.402 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.840 -1.657 -9.103 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.254 -0.133 -10.364 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.642 -1.391 -10.225 1.00 0.00 C ATOM 0 H TRP A 4 -4.493 3.593 -4.973 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.624 3.768 -7.931 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.561 2.910 -5.766 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.027 3.169 -7.435 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.615 0.916 -5.414 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.430 -1.380 -6.561 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.515 1.838 -9.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.374 -2.623 -8.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.888 0.063 -11.216 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.788 -2.151 -10.979 1.00 0.00 H new ATOM 69 N ILE A 5 -5.539 6.133 -7.839 1.00 0.00 N ATOM 70 CA ILE A 5 -6.020 7.505 -7.815 1.00 0.00 C ATOM 71 C ILE A 5 -6.959 7.691 -9.003 1.00 0.00 C ATOM 72 O ILE A 5 -6.558 7.521 -10.158 1.00 0.00 O ATOM 73 CB ILE A 5 -4.852 8.523 -7.823 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.826 8.309 -6.680 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.421 9.946 -7.708 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.591 7.531 -7.144 1.00 0.00 C ATOM 0 H ILE A 5 -5.126 5.858 -8.730 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.563 7.695 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.320 8.372 -8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.516 9.277 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.305 7.772 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.603 10.666 -7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.083 10.142 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.981 10.040 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.903 7.408 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.895 6.551 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.094 8.080 -7.944 1.00 0.00 H new ATOM 88 N ASP A 6 -8.213 8.031 -8.715 1.00 0.00 N ATOM 89 CA ASP A 6 -9.132 8.518 -9.729 1.00 0.00 C ATOM 90 C ASP A 6 -8.701 9.955 -10.010 1.00 0.00 C ATOM 91 O ASP A 6 -8.572 10.743 -9.069 1.00 0.00 O ATOM 92 CB ASP A 6 -10.573 8.497 -9.206 1.00 0.00 C ATOM 93 CG ASP A 6 -11.589 8.686 -10.334 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.333 9.451 -11.288 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.673 8.068 -10.259 1.00 0.00 O ATOM 0 H ASP A 6 -8.614 7.976 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.106 7.897 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.763 7.550 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.702 9.285 -8.464 1.00 0.00 H new ATOM 100 N VAL A 7 -8.477 10.336 -11.260 1.00 0.00 N ATOM 101 CA VAL A 7 -8.056 11.692 -11.609 1.00 0.00 C ATOM 102 C VAL A 7 -9.135 12.411 -12.431 1.00 0.00 C ATOM 103 O VAL A 7 -8.871 13.475 -12.996 1.00 0.00 O ATOM 104 CB VAL A 7 -6.646 11.682 -12.236 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.574 11.075 -11.314 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.590 10.903 -13.548 1.00 0.00 C ATOM 0 H VAL A 7 -8.581 9.716 -12.063 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.957 12.291 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.434 12.737 -12.408 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.607 11.099 -11.816 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.518 11.652 -10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.836 10.043 -11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.575 10.929 -13.944 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.883 9.868 -13.370 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.272 11.354 -14.268 1.00 0.00 H new ATOM 116 N ARG A 8 -10.359 11.865 -12.505 1.00 0.00 N ATOM 117 CA ARG A 8 -11.490 12.591 -13.078 1.00 0.00 C ATOM 118 C ARG A 8 -11.794 13.841 -12.260 1.00 0.00 C ATOM 119 O ARG A 8 -11.365 13.962 -11.106 1.00 0.00 O ATOM 120 CB ARG A 8 -12.700 11.672 -13.282 1.00 0.00 C ATOM 121 CG ARG A 8 -13.645 11.534 -12.092 1.00 0.00 C ATOM 122 CD ARG A 8 -14.762 10.571 -12.483 1.00 0.00 C ATOM 123 NE ARG A 8 -14.383 9.173 -12.304 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.330 8.258 -12.095 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.529 8.343 -12.666 1.00 0.00 N ATOM 126 NH2 ARG A 8 -15.062 7.285 -11.253 1.00 0.00 N ATOM 0 H ARG A 8 -10.585 10.927 -12.175 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.221 12.938 -14.076 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.272 12.041 -14.133 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.336 10.680 -13.548 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.108 11.160 -11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.058 12.505 -11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.647 10.784 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.035 10.740 -13.525 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.401 8.898 -12.339 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.745 9.125 -13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.232 7.626 -12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.156 7.249 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.760 6.565 -11.066 1.00 0.00 H new ATOM 140 N VAL A 9 -12.548 14.757 -12.869 1.00 0.00 N ATOM 141 CA VAL A 9 -12.947 16.009 -12.238 1.00 0.00 C ATOM 142 C VAL A 9 -13.691 15.702 -10.919 1.00 0.00 C ATOM 143 O VAL A 9 -14.397 14.690 -10.841 1.00 0.00 O ATOM 144 CB VAL A 9 -13.734 16.890 -13.235 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.837 17.294 -14.417 1.00 0.00 C ATOM 146 CG2 VAL A 9 -15.000 16.219 -13.779 1.00 0.00 C ATOM 0 H VAL A 9 -12.900 14.647 -13.820 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.074 16.603 -11.965 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.048 17.768 -12.671 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.406 17.914 -15.110 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.979 17.856 -14.047 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.489 16.399 -14.933 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.501 16.895 -14.472 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.730 15.300 -14.300 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.671 15.984 -12.953 1.00 0.00 H new ATOM 156 N PRO A 10 -13.593 16.551 -9.882 1.00 0.00 N ATOM 157 CA PRO A 10 -14.048 16.188 -8.540 1.00 0.00 C ATOM 158 C PRO A 10 -15.556 15.938 -8.468 1.00 0.00 C ATOM 159 O PRO A 10 -16.012 15.099 -7.690 1.00 0.00 O ATOM 160 CB PRO A 10 -13.605 17.338 -7.630 1.00 0.00 C ATOM 161 CG PRO A 10 -13.473 18.533 -8.577 1.00 0.00 C ATOM 162 CD PRO A 10 -13.053 17.903 -9.902 1.00 0.00 C ATOM 0 HA PRO A 10 -13.611 15.240 -8.226 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.337 17.530 -6.845 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.659 17.114 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.414 19.074 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.730 19.246 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.445 18.469 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.968 17.890 -10.003 1.00 0.00 H new ATOM 170 N GLU A 11 -16.346 16.634 -9.287 1.00 0.00 N ATOM 171 CA GLU A 11 -17.792 16.451 -9.343 1.00 0.00 C ATOM 172 C GLU A 11 -18.171 15.104 -9.958 1.00 0.00 C ATOM 173 O GLU A 11 -19.213 14.557 -9.597 1.00 0.00 O ATOM 174 CB GLU A 11 -18.423 17.586 -10.154 1.00 0.00 C ATOM 175 CG GLU A 11 -18.440 18.906 -9.370 1.00 0.00 C ATOM 176 CD GLU A 11 -19.117 20.031 -10.174 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.424 20.750 -10.929 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.348 20.223 -10.046 1.00 0.00 O ATOM 0 H GLU A 11 -15.997 17.343 -9.932 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.171 16.468 -8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.868 17.722 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.442 17.313 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.967 18.763 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.419 19.197 -9.124 1.00 0.00 H new ATOM 185 N GLN A 12 -17.348 14.546 -10.856 1.00 0.00 N ATOM 186 CA GLN A 12 -17.628 13.250 -11.458 1.00 0.00 C ATOM 187 C GLN A 12 -17.196 12.167 -10.473 1.00 0.00 C ATOM 188 O GLN A 12 -17.900 11.171 -10.322 1.00 0.00 O ATOM 189 CB GLN A 12 -16.923 13.103 -12.822 1.00 0.00 C ATOM 190 CG GLN A 12 -17.633 13.894 -13.933 1.00 0.00 C ATOM 191 CD GLN A 12 -16.964 13.732 -15.303 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.028 12.957 -15.488 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.427 14.466 -16.303 1.00 0.00 N ATOM 0 H GLN A 12 -16.482 14.979 -11.178 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.695 13.153 -11.658 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.893 13.448 -12.735 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.884 12.049 -13.097 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.670 13.565 -14.000 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.650 14.951 -13.665 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.204 15.108 -16.147 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.007 14.389 -17.229 1.00 0.00 H new ATOM 202 N TYR A 13 -16.071 12.369 -9.773 1.00 0.00 N ATOM 203 CA TYR A 13 -15.568 11.411 -8.794 1.00 0.00 C ATOM 204 C TYR A 13 -16.620 11.119 -7.719 1.00 0.00 C ATOM 205 O TYR A 13 -16.816 9.966 -7.335 1.00 0.00 O ATOM 206 CB TYR A 13 -14.258 11.927 -8.178 1.00 0.00 C ATOM 207 CG TYR A 13 -14.056 11.566 -6.715 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.704 10.253 -6.343 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.231 12.551 -5.723 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.468 9.948 -4.991 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.024 12.243 -4.368 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.624 10.939 -3.997 1.00 0.00 C ATOM 213 OH TYR A 13 -13.368 10.629 -2.695 1.00 0.00 O ATOM 0 H TYR A 13 -15.489 13.201 -9.873 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.358 10.469 -9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.421 11.532 -8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.229 13.012 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.616 9.483 -7.095 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.527 13.550 -6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.166 8.950 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.170 13.000 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.521 11.418 -2.135 1.00 0.00 H new ATOM 223 N GLN A 14 -17.320 12.161 -7.257 1.00 0.00 N ATOM 224 CA GLN A 14 -18.335 12.028 -6.219 1.00 0.00 C ATOM 225 C GLN A 14 -19.455 11.063 -6.627 1.00 0.00 C ATOM 226 O GLN A 14 -20.024 10.412 -5.750 1.00 0.00 O ATOM 227 CB GLN A 14 -18.884 13.416 -5.858 1.00 0.00 C ATOM 228 CG GLN A 14 -17.879 14.189 -4.989 1.00 0.00 C ATOM 229 CD GLN A 14 -18.232 15.671 -4.892 1.00 0.00 C ATOM 230 OE1 GLN A 14 -19.079 16.085 -4.104 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.586 16.501 -5.696 1.00 0.00 N ATOM 0 H GLN A 14 -17.196 13.116 -7.594 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.869 11.593 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.093 13.978 -6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.829 13.311 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.855 13.755 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.878 14.081 -5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.886 16.141 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.789 17.500 -5.667 1.00 0.00 H new ATOM 240 N GLN A 15 -19.764 10.944 -7.926 1.00 0.00 N ATOM 241 CA GLN A 15 -20.894 10.149 -8.392 1.00 0.00 C ATOM 242 C GLN A 15 -20.643 8.660 -8.123 1.00 0.00 C ATOM 243 O GLN A 15 -21.483 8.006 -7.505 1.00 0.00 O ATOM 244 CB GLN A 15 -21.187 10.427 -9.880 1.00 0.00 C ATOM 245 CG GLN A 15 -21.319 11.920 -10.242 1.00 0.00 C ATOM 246 CD GLN A 15 -22.291 12.695 -9.347 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.424 12.281 -9.112 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.865 13.833 -8.822 1.00 0.00 N ATOM 0 H GLN A 15 -19.238 11.395 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.783 10.440 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.389 9.990 -10.481 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.110 9.917 -10.156 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.336 12.386 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.649 12.004 -11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.923 14.167 -9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.479 14.376 -8.215 1.00 0.00 H new ATOM 257 N GLU A 16 -19.480 8.135 -8.521 1.00 0.00 N ATOM 258 CA GLU A 16 -18.986 6.815 -8.141 1.00 0.00 C ATOM 259 C GLU A 16 -17.497 6.742 -8.481 1.00 0.00 C ATOM 260 O GLU A 16 -17.047 7.426 -9.398 1.00 0.00 O ATOM 261 CB GLU A 16 -19.767 5.664 -8.817 1.00 0.00 C ATOM 262 CG GLU A 16 -19.431 5.359 -10.288 1.00 0.00 C ATOM 263 CD GLU A 16 -19.751 6.503 -11.267 1.00 0.00 C ATOM 264 OE1 GLU A 16 -20.941 6.870 -11.413 1.00 0.00 O ATOM 265 OE2 GLU A 16 -18.819 6.983 -11.952 1.00 0.00 O ATOM 0 H GLU A 16 -18.839 8.636 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.138 6.684 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.602 4.756 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.831 5.894 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.370 5.120 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.981 4.470 -10.596 1.00 0.00 H new ATOM 272 N HIS A 17 -16.743 5.870 -7.816 1.00 0.00 N ATOM 273 CA HIS A 17 -15.367 5.530 -8.156 1.00 0.00 C ATOM 274 C HIS A 17 -15.070 4.116 -7.654 1.00 0.00 C ATOM 275 O HIS A 17 -15.791 3.604 -6.795 1.00 0.00 O ATOM 276 CB HIS A 17 -14.392 6.564 -7.567 1.00 0.00 C ATOM 277 CG HIS A 17 -14.132 6.439 -6.084 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.073 6.321 -5.082 1.00 0.00 N ATOM 279 CD2 HIS A 17 -12.899 6.424 -5.485 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.420 6.253 -3.911 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.088 6.314 -4.100 1.00 0.00 N ATOM 0 H HIS A 17 -17.086 5.365 -6.999 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.234 5.552 -9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.441 6.482 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.783 7.562 -7.767 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.085 6.291 -5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.947 6.486 -5.992 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.898 6.162 -2.947 1.00 0.00 H new ATOM 289 N VAL A 18 -14.036 3.478 -8.201 1.00 0.00 N ATOM 290 CA VAL A 18 -13.608 2.139 -7.805 1.00 0.00 C ATOM 291 C VAL A 18 -13.232 2.148 -6.311 1.00 0.00 C ATOM 292 O VAL A 18 -12.663 3.126 -5.819 1.00 0.00 O ATOM 293 CB VAL A 18 -12.444 1.674 -8.711 1.00 0.00 C ATOM 294 CG1 VAL A 18 -12.143 0.187 -8.500 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.751 1.866 -10.211 1.00 0.00 C ATOM 0 H VAL A 18 -13.465 3.884 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.419 1.422 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.590 2.291 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.321 -0.113 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.865 0.016 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.029 -0.401 -8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.902 1.524 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.636 1.288 -10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.932 2.922 -10.413 1.00 0.00 H new ATOM 305 N GLN A 19 -13.550 1.066 -5.590 1.00 0.00 N ATOM 306 CA GLN A 19 -13.167 0.905 -4.187 1.00 0.00 C ATOM 307 C GLN A 19 -11.642 0.977 -4.003 1.00 0.00 C ATOM 308 O GLN A 19 -10.874 0.667 -4.918 1.00 0.00 O ATOM 309 CB GLN A 19 -13.688 -0.435 -3.633 1.00 0.00 C ATOM 310 CG GLN A 19 -15.208 -0.455 -3.414 1.00 0.00 C ATOM 311 CD GLN A 19 -15.679 -1.686 -2.628 1.00 0.00 C ATOM 312 OE1 GLN A 19 -15.014 -2.717 -2.558 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.836 -1.604 -1.991 1.00 0.00 N ATOM 0 H GLN A 19 -14.080 0.279 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.619 1.728 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.417 -1.235 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.189 -0.647 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.505 0.447 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.710 -0.433 -4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.390 -0.749 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.174 -2.395 -1.443 1.00 0.00 H new ATOM 322 N GLY A 20 -11.214 1.301 -2.776 1.00 0.00 N ATOM 323 CA GLY A 20 -9.817 1.220 -2.358 1.00 0.00 C ATOM 324 C GLY A 20 -8.928 2.237 -3.073 1.00 0.00 C ATOM 325 O GLY A 20 -7.820 1.890 -3.488 1.00 0.00 O ATOM 0 H GLY A 20 -11.839 1.630 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.754 1.381 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.442 0.215 -2.552 1.00 0.00 H new ATOM 329 N ALA A 21 -9.414 3.471 -3.249 1.00 0.00 N ATOM 330 CA ALA A 21 -8.749 4.525 -4.007 1.00 0.00 C ATOM 331 C ALA A 21 -8.929 5.890 -3.326 1.00 0.00 C ATOM 332 O ALA A 21 -9.614 6.011 -2.306 1.00 0.00 O ATOM 333 CB ALA A 21 -9.321 4.534 -5.432 1.00 0.00 C ATOM 0 H ALA A 21 -10.307 3.768 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.677 4.330 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.835 5.317 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.141 3.567 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.394 4.724 -5.392 1.00 0.00 H new ATOM 339 N ILE A 22 -8.324 6.917 -3.920 1.00 0.00 N ATOM 340 CA ILE A 22 -8.417 8.333 -3.557 1.00 0.00 C ATOM 341 C ILE A 22 -8.747 9.094 -4.854 1.00 0.00 C ATOM 342 O ILE A 22 -8.668 8.510 -5.939 1.00 0.00 O ATOM 343 CB ILE A 22 -7.096 8.762 -2.854 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.149 10.193 -2.273 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.864 8.595 -3.762 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.902 10.573 -1.462 1.00 0.00 C ATOM 0 H ILE A 22 -7.713 6.773 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.204 8.555 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.992 8.077 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.271 10.904 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.029 10.285 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.970 8.908 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.765 7.549 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.984 9.209 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.009 11.590 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.790 9.885 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.021 10.514 -2.101 1.00 0.00 H new ATOM 358 N ASN A 23 -9.090 10.385 -4.783 1.00 0.00 N ATOM 359 CA ASN A 23 -9.265 11.223 -5.967 1.00 0.00 C ATOM 360 C ASN A 23 -8.411 12.466 -5.855 1.00 0.00 C ATOM 361 O ASN A 23 -8.426 13.156 -4.833 1.00 0.00 O ATOM 362 CB ASN A 23 -10.729 11.594 -6.192 1.00 0.00 C ATOM 363 CG ASN A 23 -10.950 12.729 -7.200 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.437 13.795 -6.841 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.614 12.543 -8.468 1.00 0.00 N ATOM 0 H ASN A 23 -9.253 10.874 -3.903 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.943 10.645 -6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.266 10.710 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.168 11.882 -5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.760 13.288 -9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.209 11.655 -8.763 1.00 0.00 H new ATOM 372 N ILE A 24 -7.675 12.739 -6.927 1.00 0.00 N ATOM 373 CA ILE A 24 -6.827 13.905 -7.079 1.00 0.00 C ATOM 374 C ILE A 24 -7.017 14.305 -8.552 1.00 0.00 C ATOM 375 O ILE A 24 -6.340 13.748 -9.413 1.00 0.00 O ATOM 376 CB ILE A 24 -5.355 13.604 -6.688 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.186 12.790 -5.380 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.635 14.951 -6.542 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.732 12.434 -5.051 1.00 0.00 C ATOM 0 H ILE A 24 -7.655 12.127 -7.743 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.093 14.725 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.932 12.979 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.606 13.361 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.766 11.870 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.594 14.779 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.676 15.490 -7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.123 15.542 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.698 11.865 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.312 11.835 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.150 13.349 -4.938 1.00 0.00 H new ATOM 391 N PRO A 25 -8.010 15.154 -8.877 1.00 0.00 N ATOM 392 CA PRO A 25 -8.369 15.480 -10.255 1.00 0.00 C ATOM 393 C PRO A 25 -7.181 15.966 -11.083 1.00 0.00 C ATOM 394 O PRO A 25 -6.279 16.596 -10.537 1.00 0.00 O ATOM 395 CB PRO A 25 -9.424 16.581 -10.153 1.00 0.00 C ATOM 396 CG PRO A 25 -10.059 16.352 -8.785 1.00 0.00 C ATOM 397 CD PRO A 25 -8.899 15.832 -7.946 1.00 0.00 C ATOM 0 HA PRO A 25 -8.733 14.589 -10.766 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.976 17.572 -10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.160 16.505 -10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.472 17.273 -8.374 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.875 15.631 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.385 16.649 -7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.251 15.149 -7.173 1.00 0.00 H new ATOM 405 N LEU A 26 -7.215 15.795 -12.408 1.00 0.00 N ATOM 406 CA LEU A 26 -6.166 16.279 -13.318 1.00 0.00 C ATOM 407 C LEU A 26 -5.859 17.776 -13.130 1.00 0.00 C ATOM 408 O LEU A 26 -4.703 18.181 -13.239 1.00 0.00 O ATOM 409 CB LEU A 26 -6.572 15.968 -14.770 1.00 0.00 C ATOM 410 CG LEU A 26 -5.581 16.452 -15.851 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.236 15.722 -15.761 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.178 16.216 -17.242 1.00 0.00 C ATOM 0 H LEU A 26 -7.977 15.313 -12.886 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.241 15.754 -13.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.697 14.890 -14.872 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.544 16.421 -14.963 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.408 17.515 -15.683 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.568 16.092 -16.539 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.789 15.902 -14.783 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.393 14.652 -15.897 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.476 16.559 -18.002 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.371 15.152 -17.379 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.113 16.769 -17.335 1.00 0.00 H new ATOM 424 N LYS A 27 -6.867 18.598 -12.809 1.00 0.00 N ATOM 425 CA LYS A 27 -6.678 20.033 -12.563 1.00 0.00 C ATOM 426 C LYS A 27 -5.904 20.323 -11.267 1.00 0.00 C ATOM 427 O LYS A 27 -5.448 21.450 -11.077 1.00 0.00 O ATOM 428 CB LYS A 27 -8.037 20.758 -12.540 1.00 0.00 C ATOM 429 CG LYS A 27 -8.789 20.645 -13.880 1.00 0.00 C ATOM 430 CD LYS A 27 -9.997 21.591 -13.975 1.00 0.00 C ATOM 431 CE LYS A 27 -11.076 21.288 -12.923 1.00 0.00 C ATOM 432 NZ LYS A 27 -12.242 22.200 -13.044 1.00 0.00 N ATOM 0 H LYS A 27 -7.834 18.288 -12.713 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.073 20.412 -13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.654 20.341 -11.744 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.880 21.810 -12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.100 20.862 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.128 19.618 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.657 22.620 -13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.435 21.515 -14.970 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.410 20.256 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.646 21.380 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.946 21.962 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.929 23.183 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.669 22.095 -13.986 1.00 0.00 H new ATOM 446 N GLU A 28 -5.748 19.339 -10.380 1.00 0.00 N ATOM 447 CA GLU A 28 -5.230 19.501 -9.023 1.00 0.00 C ATOM 448 C GLU A 28 -3.998 18.614 -8.785 1.00 0.00 C ATOM 449 O GLU A 28 -3.176 18.925 -7.925 1.00 0.00 O ATOM 450 CB GLU A 28 -6.335 19.125 -8.014 1.00 0.00 C ATOM 451 CG GLU A 28 -7.665 19.892 -8.164 1.00 0.00 C ATOM 452 CD GLU A 28 -7.514 21.418 -8.019 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.904 21.891 -7.034 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.049 22.164 -8.869 1.00 0.00 O ATOM 0 H GLU A 28 -5.988 18.372 -10.596 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.930 20.540 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.539 18.058 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.953 19.290 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.096 19.669 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.370 19.532 -7.414 1.00 0.00 H new ATOM 461 N VAL A 29 -3.845 17.518 -9.536 1.00 0.00 N ATOM 462 CA VAL A 29 -2.858 16.472 -9.280 1.00 0.00 C ATOM 463 C VAL A 29 -1.430 17.013 -9.250 1.00 0.00 C ATOM 464 O VAL A 29 -0.672 16.637 -8.357 1.00 0.00 O ATOM 465 CB VAL A 29 -3.108 15.290 -10.248 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.703 15.589 -11.694 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.424 13.994 -9.803 1.00 0.00 C ATOM 0 H VAL A 29 -4.420 17.332 -10.358 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.984 16.076 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.188 15.151 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.906 14.717 -12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.275 16.440 -12.064 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.639 15.823 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.638 13.204 -10.523 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.347 14.152 -9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.800 13.702 -8.822 1.00 0.00 H new ATOM 477 N LYS A 30 -1.084 17.964 -10.124 1.00 0.00 N ATOM 478 CA LYS A 30 0.244 18.580 -10.162 1.00 0.00 C ATOM 479 C LYS A 30 0.622 19.223 -8.819 1.00 0.00 C ATOM 480 O LYS A 30 1.804 19.288 -8.484 1.00 0.00 O ATOM 481 CB LYS A 30 0.280 19.595 -11.319 1.00 0.00 C ATOM 482 CG LYS A 30 1.687 20.144 -11.603 1.00 0.00 C ATOM 483 CD LYS A 30 1.676 21.071 -12.829 1.00 0.00 C ATOM 484 CE LYS A 30 3.021 21.783 -13.047 1.00 0.00 C ATOM 485 NZ LYS A 30 4.124 20.859 -13.418 1.00 0.00 N ATOM 0 H LYS A 30 -1.723 18.330 -10.830 1.00 0.00 H new ATOM 0 HA LYS A 30 0.993 17.808 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.106 19.121 -12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.386 20.426 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.052 20.690 -10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.377 19.317 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.430 20.489 -13.717 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.890 21.817 -12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.905 22.531 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.294 22.315 -12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.001 21.401 -13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.260 20.159 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.883 20.369 -14.303 1.00 0.00 H new ATOM 499 N GLU A 31 -0.362 19.667 -8.034 1.00 0.00 N ATOM 500 CA GLU A 31 -0.149 20.374 -6.777 1.00 0.00 C ATOM 501 C GLU A 31 -0.299 19.448 -5.560 1.00 0.00 C ATOM 502 O GLU A 31 -0.039 19.892 -4.439 1.00 0.00 O ATOM 503 CB GLU A 31 -1.170 21.523 -6.665 1.00 0.00 C ATOM 504 CG GLU A 31 -1.096 22.558 -7.800 1.00 0.00 C ATOM 505 CD GLU A 31 0.267 23.271 -7.867 1.00 0.00 C ATOM 506 OE1 GLU A 31 0.572 24.099 -6.977 1.00 0.00 O ATOM 507 OE2 GLU A 31 1.037 23.035 -8.824 1.00 0.00 O ATOM 0 H GLU A 31 -1.348 19.541 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 31 0.871 20.759 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.174 21.099 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.019 22.034 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.289 22.062 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.883 23.300 -7.662 1.00 0.00 H new ATOM 514 N ARG A 32 -0.716 18.183 -5.740 1.00 0.00 N ATOM 515 CA ARG A 32 -1.143 17.340 -4.616 1.00 0.00 C ATOM 516 C ARG A 32 -0.641 15.899 -4.668 1.00 0.00 C ATOM 517 O ARG A 32 -0.525 15.294 -3.602 1.00 0.00 O ATOM 518 CB ARG A 32 -2.680 17.445 -4.517 1.00 0.00 C ATOM 519 CG ARG A 32 -3.294 16.658 -3.348 1.00 0.00 C ATOM 520 CD ARG A 32 -4.769 17.027 -3.127 1.00 0.00 C ATOM 521 NE ARG A 32 -5.432 16.045 -2.244 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.481 15.265 -2.548 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.164 15.434 -3.677 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.845 14.296 -1.715 1.00 0.00 N ATOM 0 H ARG A 32 -0.765 17.726 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.677 17.714 -3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.955 18.495 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.118 17.088 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.212 15.589 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.729 16.858 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.837 18.022 -2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.286 17.067 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.052 15.950 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.894 16.168 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.958 14.830 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.328 14.147 -0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.642 13.701 -1.942 1.00 0.00 H new ATOM 538 N ILE A 33 -0.287 15.331 -5.827 1.00 0.00 N ATOM 539 CA ILE A 33 0.214 13.953 -5.853 1.00 0.00 C ATOM 540 C ILE A 33 1.515 13.830 -5.057 1.00 0.00 C ATOM 541 O ILE A 33 1.689 12.846 -4.345 1.00 0.00 O ATOM 542 CB ILE A 33 0.326 13.399 -7.291 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.624 11.881 -7.316 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.364 14.136 -8.161 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.486 11.003 -6.726 1.00 0.00 C ATOM 0 H ILE A 33 -0.336 15.790 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.521 13.320 -5.356 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.658 13.578 -7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.801 11.576 -8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.547 11.696 -6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.386 13.691 -9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.091 15.188 -8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.349 14.050 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.191 9.955 -6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.650 11.275 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.407 11.153 -7.289 1.00 0.00 H new ATOM 557 N ALA A 34 2.378 14.853 -5.088 1.00 0.00 N ATOM 558 CA ALA A 34 3.609 14.870 -4.306 1.00 0.00 C ATOM 559 C ALA A 34 3.329 14.778 -2.799 1.00 0.00 C ATOM 560 O ALA A 34 4.141 14.223 -2.060 1.00 0.00 O ATOM 561 CB ALA A 34 4.405 16.134 -4.644 1.00 0.00 C ATOM 0 H ALA A 34 2.238 15.688 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 34 4.199 13.992 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.326 16.151 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.648 16.138 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.809 17.014 -4.405 1.00 0.00 H new ATOM 567 N THR A 35 2.192 15.302 -2.336 1.00 0.00 N ATOM 568 CA THR A 35 1.776 15.237 -0.942 1.00 0.00 C ATOM 569 C THR A 35 1.182 13.852 -0.641 1.00 0.00 C ATOM 570 O THR A 35 1.516 13.246 0.379 1.00 0.00 O ATOM 571 CB THR A 35 0.755 16.364 -0.672 1.00 0.00 C ATOM 572 OG1 THR A 35 1.167 17.568 -1.303 1.00 0.00 O ATOM 573 CG2 THR A 35 0.590 16.631 0.827 1.00 0.00 C ATOM 0 H THR A 35 1.526 15.791 -2.934 1.00 0.00 H new ATOM 0 HA THR A 35 2.632 15.380 -0.283 1.00 0.00 H new ATOM 0 HB THR A 35 -0.200 16.033 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.509 18.272 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.136 17.430 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.240 15.725 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.549 16.928 1.251 1.00 0.00 H new ATOM 581 N ALA A 36 0.312 13.340 -1.523 1.00 0.00 N ATOM 582 CA ALA A 36 -0.410 12.089 -1.302 1.00 0.00 C ATOM 583 C ALA A 36 0.494 10.857 -1.441 1.00 0.00 C ATOM 584 O ALA A 36 0.309 9.876 -0.720 1.00 0.00 O ATOM 585 CB ALA A 36 -1.568 12.001 -2.301 1.00 0.00 C ATOM 0 H ALA A 36 0.092 13.788 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.785 12.094 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.114 11.070 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.241 12.846 -2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.174 12.024 -3.317 1.00 0.00 H new ATOM 591 N VAL A 37 1.461 10.903 -2.359 1.00 0.00 N ATOM 592 CA VAL A 37 2.342 9.803 -2.732 1.00 0.00 C ATOM 593 C VAL A 37 3.751 10.405 -2.890 1.00 0.00 C ATOM 594 O VAL A 37 4.198 10.661 -4.011 1.00 0.00 O ATOM 595 CB VAL A 37 1.819 9.083 -4.003 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.650 7.824 -4.299 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.347 8.644 -3.882 1.00 0.00 C ATOM 0 H VAL A 37 1.658 11.753 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 37 2.372 9.024 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 37 1.908 9.813 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.265 7.336 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.691 8.104 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.584 7.138 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.039 8.147 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.240 7.955 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.281 9.519 -3.715 1.00 0.00 H new ATOM 607 N PRO A 38 4.453 10.698 -1.778 1.00 0.00 N ATOM 608 CA PRO A 38 5.784 11.292 -1.828 1.00 0.00 C ATOM 609 C PRO A 38 6.843 10.306 -2.342 1.00 0.00 C ATOM 610 O PRO A 38 7.906 10.736 -2.790 1.00 0.00 O ATOM 611 CB PRO A 38 6.080 11.744 -0.394 1.00 0.00 C ATOM 612 CG PRO A 38 5.262 10.780 0.463 1.00 0.00 C ATOM 613 CD PRO A 38 4.026 10.515 -0.396 1.00 0.00 C ATOM 0 HA PRO A 38 5.817 12.125 -2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.144 11.680 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.780 12.779 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.811 9.862 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.998 11.220 1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.647 9.506 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.219 11.203 -0.142 1.00 0.00 H new ATOM 621 N ASP A 39 6.579 8.995 -2.277 1.00 0.00 N ATOM 622 CA ASP A 39 7.459 7.969 -2.827 1.00 0.00 C ATOM 623 C ASP A 39 7.408 8.024 -4.354 1.00 0.00 C ATOM 624 O ASP A 39 6.464 7.538 -4.981 1.00 0.00 O ATOM 625 CB ASP A 39 7.080 6.576 -2.307 1.00 0.00 C ATOM 626 CG ASP A 39 7.963 5.461 -2.904 1.00 0.00 C ATOM 627 OD1 ASP A 39 8.971 5.758 -3.584 1.00 0.00 O ATOM 628 OD2 ASP A 39 7.668 4.273 -2.645 1.00 0.00 O ATOM 0 H ASP A 39 5.740 8.618 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 39 8.480 8.164 -2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.167 6.561 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.036 6.375 -2.546 1.00 0.00 H new ATOM 633 N LYS A 40 8.433 8.623 -4.965 1.00 0.00 N ATOM 634 CA LYS A 40 8.533 8.783 -6.415 1.00 0.00 C ATOM 635 C LYS A 40 8.685 7.445 -7.149 1.00 0.00 C ATOM 636 O LYS A 40 8.589 7.427 -8.377 1.00 0.00 O ATOM 637 CB LYS A 40 9.692 9.737 -6.765 1.00 0.00 C ATOM 638 CG LYS A 40 9.694 11.067 -5.982 1.00 0.00 C ATOM 639 CD LYS A 40 8.402 11.899 -6.095 1.00 0.00 C ATOM 640 CE LYS A 40 8.143 12.436 -7.511 1.00 0.00 C ATOM 641 NZ LYS A 40 9.147 13.452 -7.916 1.00 0.00 N ATOM 0 H LYS A 40 9.227 9.015 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 40 7.594 9.218 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.635 9.222 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.652 9.959 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.876 10.850 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.529 11.674 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.556 11.285 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.457 12.738 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.159 11.609 -8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.146 12.875 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.877 13.860 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.187 14.205 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.081 13.003 -7.998 1.00 0.00 H new ATOM 655 N ASN A 41 8.912 6.340 -6.431 1.00 0.00 N ATOM 656 CA ASN A 41 9.054 5.000 -6.991 1.00 0.00 C ATOM 657 C ASN A 41 7.843 4.121 -6.642 1.00 0.00 C ATOM 658 O ASN A 41 7.889 2.900 -6.798 1.00 0.00 O ATOM 659 CB ASN A 41 10.387 4.385 -6.531 1.00 0.00 C ATOM 660 CG ASN A 41 10.737 3.108 -7.295 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.069 2.031 -6.599 1.00 0.00 O flip ATOM 662 ND2 ASN A 41 10.748 3.085 -8.523 1.00 0.00 N flip ATOM 0 H ASN A 41 9.004 6.358 -5.415 1.00 0.00 H new ATOM 0 HA ASN A 41 9.077 5.064 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.185 5.115 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.333 4.164 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.491 3.919 -9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.014 2.232 -9.015 1.00 0.00 H new ATOM 669 N ASP A 42 6.755 4.716 -6.143 1.00 0.00 N ATOM 670 CA ASP A 42 5.478 4.026 -5.979 1.00 0.00 C ATOM 671 C ASP A 42 4.893 3.670 -7.350 1.00 0.00 C ATOM 672 O ASP A 42 5.084 4.413 -8.318 1.00 0.00 O ATOM 673 CB ASP A 42 4.495 4.927 -5.235 1.00 0.00 C ATOM 674 CG ASP A 42 3.191 4.181 -4.947 1.00 0.00 C ATOM 675 OD1 ASP A 42 3.182 3.380 -3.988 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.197 4.398 -5.671 1.00 0.00 O ATOM 0 H ASP A 42 6.738 5.690 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 42 5.644 3.113 -5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.940 5.266 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.287 5.817 -5.830 1.00 0.00 H new ATOM 681 N THR A 43 4.152 2.566 -7.433 1.00 0.00 N ATOM 682 CA THR A 43 3.414 2.192 -8.633 1.00 0.00 C ATOM 683 C THR A 43 2.131 3.031 -8.677 1.00 0.00 C ATOM 684 O THR A 43 1.074 2.593 -8.213 1.00 0.00 O ATOM 685 CB THR A 43 3.129 0.676 -8.669 1.00 0.00 C ATOM 686 OG1 THR A 43 4.237 -0.089 -8.233 1.00 0.00 O ATOM 687 CG2 THR A 43 2.733 0.222 -10.078 1.00 0.00 C ATOM 0 H THR A 43 4.048 1.904 -6.664 1.00 0.00 H new ATOM 0 HA THR A 43 4.008 2.398 -9.523 1.00 0.00 H new ATOM 0 HB THR A 43 2.300 0.506 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.970 -0.000 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.538 -0.850 -10.073 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.834 0.753 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.545 0.440 -10.772 1.00 0.00 H new ATOM 695 N VAL A 44 2.226 4.259 -9.188 1.00 0.00 N ATOM 696 CA VAL A 44 1.087 5.163 -9.266 1.00 0.00 C ATOM 697 C VAL A 44 0.105 4.585 -10.297 1.00 0.00 C ATOM 698 O VAL A 44 0.402 4.579 -11.494 1.00 0.00 O ATOM 699 CB VAL A 44 1.549 6.599 -9.612 1.00 0.00 C ATOM 700 CG1 VAL A 44 0.426 7.602 -9.316 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.787 7.052 -8.819 1.00 0.00 C ATOM 0 H VAL A 44 3.093 4.650 -9.557 1.00 0.00 H new ATOM 0 HA VAL A 44 0.582 5.242 -8.304 1.00 0.00 H new ATOM 0 HB VAL A 44 1.805 6.576 -10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.763 8.609 -9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.450 7.355 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.166 7.556 -8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.055 8.067 -9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.564 7.029 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.620 6.381 -9.030 1.00 0.00 H new ATOM 711 N LYS A 45 -1.046 4.071 -9.856 1.00 0.00 N ATOM 712 CA LYS A 45 -2.087 3.563 -10.746 1.00 0.00 C ATOM 713 C LYS A 45 -3.124 4.668 -10.888 1.00 0.00 C ATOM 714 O LYS A 45 -3.620 5.177 -9.879 1.00 0.00 O ATOM 715 CB LYS A 45 -2.716 2.278 -10.179 1.00 0.00 C ATOM 716 CG LYS A 45 -1.731 1.097 -10.146 1.00 0.00 C ATOM 717 CD LYS A 45 -2.362 -0.104 -9.429 1.00 0.00 C ATOM 718 CE LYS A 45 -1.407 -1.301 -9.296 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.149 -1.996 -10.581 1.00 0.00 N ATOM 0 H LYS A 45 -1.281 3.996 -8.866 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.672 3.300 -11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.079 2.471 -9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.582 2.006 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.454 0.818 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.815 1.393 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.688 0.204 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.253 -0.417 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.460 -0.956 -8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.826 -2.013 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.670 -2.901 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.051 -2.174 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.544 -1.401 -11.182 1.00 0.00 H new ATOM 733 N VAL A 46 -3.470 5.036 -12.118 1.00 0.00 N ATOM 734 CA VAL A 46 -4.366 6.153 -12.393 1.00 0.00 C ATOM 735 C VAL A 46 -5.483 5.692 -13.318 1.00 0.00 C ATOM 736 O VAL A 46 -5.255 4.922 -14.254 1.00 0.00 O ATOM 737 CB VAL A 46 -3.589 7.370 -12.946 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.690 7.981 -11.863 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.716 7.060 -14.175 1.00 0.00 C ATOM 0 H VAL A 46 -3.134 4.564 -12.957 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.824 6.490 -11.463 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.362 8.071 -13.261 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.153 8.836 -12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.303 8.308 -11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.974 7.234 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.207 7.968 -14.498 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.977 6.302 -13.915 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.345 6.690 -14.984 1.00 0.00 H new ATOM 749 N TYR A 47 -6.692 6.182 -13.081 1.00 0.00 N ATOM 750 CA TYR A 47 -7.852 5.967 -13.932 1.00 0.00 C ATOM 751 C TYR A 47 -8.743 7.200 -13.818 1.00 0.00 C ATOM 752 O TYR A 47 -8.492 8.082 -12.995 1.00 0.00 O ATOM 753 CB TYR A 47 -8.593 4.687 -13.520 1.00 0.00 C ATOM 754 CG TYR A 47 -9.196 4.724 -12.128 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.407 4.392 -11.010 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.536 5.121 -11.952 1.00 0.00 C ATOM 757 CE1 TYR A 47 -8.952 4.467 -9.718 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.085 5.199 -10.661 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.291 4.871 -9.537 1.00 0.00 C ATOM 760 OH TYR A 47 -10.796 4.947 -8.276 1.00 0.00 O ATOM 0 H TYR A 47 -6.898 6.758 -12.265 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.551 5.830 -14.971 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.388 4.496 -14.241 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.900 3.847 -13.579 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.382 4.080 -11.146 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.143 5.366 -12.811 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.345 4.215 -8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.111 5.509 -10.527 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.716 4.610 -8.271 1.00 0.00 H new ATOM 770 N CYS A 48 -9.784 7.275 -14.636 1.00 0.00 N ATOM 771 CA CYS A 48 -10.812 8.299 -14.548 1.00 0.00 C ATOM 772 C CYS A 48 -12.062 7.756 -15.237 1.00 0.00 C ATOM 773 O CYS A 48 -12.170 6.548 -15.456 1.00 0.00 O ATOM 774 CB CYS A 48 -10.292 9.609 -15.159 1.00 0.00 C ATOM 775 SG CYS A 48 -9.781 9.340 -16.866 1.00 0.00 S ATOM 0 H CYS A 48 -9.939 6.611 -15.395 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.070 8.534 -13.515 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.071 10.371 -15.121 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.451 9.983 -14.575 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.759 8.537 -16.892 1.00 0.00 H new ATOM 781 N ASN A 49 -13.007 8.627 -15.593 1.00 0.00 N ATOM 782 CA ASN A 49 -14.297 8.199 -16.123 1.00 0.00 C ATOM 783 C ASN A 49 -14.150 7.407 -17.429 1.00 0.00 C ATOM 784 O ASN A 49 -14.773 6.359 -17.583 1.00 0.00 O ATOM 785 CB ASN A 49 -15.205 9.419 -16.332 1.00 0.00 C ATOM 786 CG ASN A 49 -16.663 9.002 -16.246 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.351 9.348 -15.289 1.00 0.00 O ATOM 788 ND2 ASN A 49 -17.131 8.209 -17.194 1.00 0.00 N ATOM 0 H ASN A 49 -12.899 9.639 -15.522 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.752 7.530 -15.393 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.990 10.176 -15.578 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.004 9.870 -17.304 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.090 7.865 -17.144 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.533 7.941 -17.976 1.00 0.00 H new ATOM 795 N ALA A 50 -13.332 7.912 -18.358 1.00 0.00 N ATOM 796 CA ALA A 50 -13.141 7.363 -19.707 1.00 0.00 C ATOM 797 C ALA A 50 -11.656 7.279 -20.112 1.00 0.00 C ATOM 798 O ALA A 50 -11.330 7.212 -21.300 1.00 0.00 O ATOM 799 CB ALA A 50 -13.955 8.206 -20.701 1.00 0.00 C ATOM 0 H ALA A 50 -12.765 8.742 -18.187 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.501 6.334 -19.717 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.823 7.810 -21.708 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.011 8.168 -20.432 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.610 9.239 -20.670 1.00 0.00 H new ATOM 805 N GLY A 51 -10.734 7.326 -19.148 1.00 0.00 N ATOM 806 CA GLY A 51 -9.302 7.104 -19.360 1.00 0.00 C ATOM 807 C GLY A 51 -8.504 8.358 -19.743 1.00 0.00 C ATOM 808 O GLY A 51 -7.281 8.352 -19.601 1.00 0.00 O ATOM 0 H GLY A 51 -10.968 7.524 -18.175 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.875 6.684 -18.449 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.177 6.358 -20.145 1.00 0.00 H new ATOM 812 N ARG A 52 -9.149 9.443 -20.200 1.00 0.00 N ATOM 813 CA ARG A 52 -8.433 10.620 -20.712 1.00 0.00 C ATOM 814 C ARG A 52 -7.678 11.341 -19.618 1.00 0.00 C ATOM 815 O ARG A 52 -6.479 11.544 -19.784 1.00 0.00 O ATOM 816 CB ARG A 52 -9.355 11.581 -21.490 1.00 0.00 C ATOM 817 CG ARG A 52 -10.211 10.986 -22.626 1.00 0.00 C ATOM 818 CD ARG A 52 -9.472 10.041 -23.586 1.00 0.00 C ATOM 819 NE ARG A 52 -9.621 8.633 -23.175 1.00 0.00 N ATOM 820 CZ ARG A 52 -8.799 7.616 -23.452 1.00 0.00 C ATOM 821 NH1 ARG A 52 -7.695 7.798 -24.172 1.00 0.00 N ATOM 822 NH2 ARG A 52 -9.113 6.413 -22.988 1.00 0.00 N ATOM 0 H ARG A 52 -10.165 9.529 -20.225 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.698 10.245 -21.424 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.028 12.054 -20.775 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.735 12.371 -21.915 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.046 10.444 -22.182 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.635 11.806 -23.206 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.860 10.170 -24.596 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.414 10.303 -23.615 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.444 8.410 -22.616 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.463 8.727 -24.524 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.081 7.009 -24.372 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.962 6.284 -22.437 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.506 5.617 -23.183 1.00 0.00 H new ATOM 836 N GLN A 53 -8.322 11.664 -18.494 1.00 0.00 N ATOM 837 CA GLN A 53 -7.649 12.390 -17.419 1.00 0.00 C ATOM 838 C GLN A 53 -6.452 11.584 -16.910 1.00 0.00 C ATOM 839 O GLN A 53 -5.447 12.178 -16.538 1.00 0.00 O ATOM 840 CB GLN A 53 -8.574 12.765 -16.241 1.00 0.00 C ATOM 841 CG GLN A 53 -9.698 13.774 -16.528 1.00 0.00 C ATOM 842 CD GLN A 53 -10.921 13.096 -17.142 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.798 12.606 -16.439 1.00 0.00 O ATOM 844 NE2 GLN A 53 -10.986 13.014 -18.459 1.00 0.00 N ATOM 0 H GLN A 53 -9.299 11.436 -18.307 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.314 13.332 -17.853 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.029 11.849 -15.864 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.955 13.167 -15.439 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.985 14.273 -15.602 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.331 14.545 -17.205 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.250 13.426 -19.033 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.772 12.539 -18.902 1.00 0.00 H new ATOM 853 N SER A 54 -6.527 10.251 -16.912 1.00 0.00 N ATOM 854 CA SER A 54 -5.441 9.392 -16.445 1.00 0.00 C ATOM 855 C SER A 54 -4.296 9.282 -17.454 1.00 0.00 C ATOM 856 O SER A 54 -3.135 9.361 -17.051 1.00 0.00 O ATOM 857 CB SER A 54 -5.993 8.030 -16.023 1.00 0.00 C ATOM 858 OG SER A 54 -7.133 7.642 -16.771 1.00 0.00 O ATOM 0 H SER A 54 -7.346 9.738 -17.239 1.00 0.00 H new ATOM 0 HA SER A 54 -4.996 9.860 -15.567 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.214 7.276 -16.139 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.252 8.060 -14.965 1.00 0.00 H new ATOM 0 HG SER A 54 -6.990 7.851 -17.718 1.00 0.00 H new ATOM 864 N GLY A 55 -4.589 9.168 -18.753 1.00 0.00 N ATOM 865 CA GLY A 55 -3.558 9.201 -19.786 1.00 0.00 C ATOM 866 C GLY A 55 -2.846 10.554 -19.776 1.00 0.00 C ATOM 867 O GLY A 55 -1.617 10.619 -19.802 1.00 0.00 O ATOM 0 H GLY A 55 -5.537 9.052 -19.112 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.837 8.401 -19.617 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.006 9.025 -20.764 1.00 0.00 H new ATOM 871 N GLN A 56 -3.623 11.631 -19.652 1.00 0.00 N ATOM 872 CA GLN A 56 -3.144 12.993 -19.479 1.00 0.00 C ATOM 873 C GLN A 56 -2.276 13.110 -18.215 1.00 0.00 C ATOM 874 O GLN A 56 -1.173 13.656 -18.278 1.00 0.00 O ATOM 875 CB GLN A 56 -4.373 13.920 -19.435 1.00 0.00 C ATOM 876 CG GLN A 56 -4.928 14.238 -20.830 1.00 0.00 C ATOM 877 CD GLN A 56 -6.211 15.072 -20.742 1.00 0.00 C ATOM 878 OE1 GLN A 56 -7.271 14.586 -20.353 1.00 0.00 O ATOM 879 NE2 GLN A 56 -6.152 16.347 -21.095 1.00 0.00 N ATOM 0 H GLN A 56 -4.641 11.571 -19.671 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.504 13.287 -20.311 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.154 13.452 -18.836 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.103 14.850 -18.936 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.179 14.780 -21.407 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.131 13.309 -21.363 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.271 16.747 -21.417 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.988 16.929 -21.045 1.00 0.00 H new ATOM 888 N ALA A 57 -2.728 12.568 -17.077 1.00 0.00 N ATOM 889 CA ALA A 57 -1.994 12.631 -15.817 1.00 0.00 C ATOM 890 C ALA A 57 -0.654 11.899 -15.910 1.00 0.00 C ATOM 891 O ALA A 57 0.331 12.372 -15.347 1.00 0.00 O ATOM 892 CB ALA A 57 -2.831 12.067 -14.663 1.00 0.00 C ATOM 0 H ALA A 57 -3.617 12.073 -17.009 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.790 13.682 -15.614 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.260 12.126 -13.736 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.748 12.647 -14.562 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.081 11.026 -14.869 1.00 0.00 H new ATOM 898 N LYS A 58 -0.581 10.770 -16.625 1.00 0.00 N ATOM 899 CA LYS A 58 0.674 10.035 -16.774 1.00 0.00 C ATOM 900 C LYS A 58 1.770 10.913 -17.379 1.00 0.00 C ATOM 901 O LYS A 58 2.927 10.762 -16.983 1.00 0.00 O ATOM 902 CB LYS A 58 0.445 8.726 -17.553 1.00 0.00 C ATOM 903 CG LYS A 58 1.762 7.967 -17.789 1.00 0.00 C ATOM 904 CD LYS A 58 1.548 6.480 -18.100 1.00 0.00 C ATOM 905 CE LYS A 58 2.908 5.827 -18.397 1.00 0.00 C ATOM 906 NZ LYS A 58 2.829 4.347 -18.471 1.00 0.00 N ATOM 0 H LYS A 58 -1.375 10.349 -17.107 1.00 0.00 H new ATOM 0 HA LYS A 58 1.033 9.754 -15.784 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.248 8.090 -17.001 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.023 8.950 -18.512 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.300 8.432 -18.615 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.393 8.061 -16.905 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.069 5.984 -17.255 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.882 6.367 -18.955 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.294 6.214 -19.340 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.620 6.110 -17.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.700 3.974 -18.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.720 3.957 -17.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.011 4.072 -19.052 1.00 0.00 H new ATOM 920 N GLU A 59 1.441 11.841 -18.280 1.00 0.00 N ATOM 921 CA GLU A 59 2.443 12.717 -18.876 1.00 0.00 C ATOM 922 C GLU A 59 3.072 13.598 -17.794 1.00 0.00 C ATOM 923 O GLU A 59 4.290 13.571 -17.615 1.00 0.00 O ATOM 924 CB GLU A 59 1.845 13.570 -20.007 1.00 0.00 C ATOM 925 CG GLU A 59 1.324 12.720 -21.173 1.00 0.00 C ATOM 926 CD GLU A 59 0.873 13.597 -22.354 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.312 13.998 -22.412 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.698 13.882 -23.254 1.00 0.00 O ATOM 0 H GLU A 59 0.490 12.003 -18.610 1.00 0.00 H new ATOM 0 HA GLU A 59 3.221 12.097 -19.321 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.029 14.174 -19.609 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.603 14.261 -20.376 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.106 12.037 -21.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.488 12.108 -20.833 1.00 0.00 H new ATOM 935 N ILE A 60 2.268 14.341 -17.025 1.00 0.00 N ATOM 936 CA ILE A 60 2.793 15.239 -16.005 1.00 0.00 C ATOM 937 C ILE A 60 3.433 14.466 -14.848 1.00 0.00 C ATOM 938 O ILE A 60 4.402 14.950 -14.274 1.00 0.00 O ATOM 939 CB ILE A 60 1.707 16.228 -15.538 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.474 15.506 -14.958 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.337 17.161 -16.709 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.632 16.431 -14.463 1.00 0.00 C ATOM 0 H ILE A 60 1.250 14.334 -17.094 1.00 0.00 H new ATOM 0 HA ILE A 60 3.593 15.832 -16.448 1.00 0.00 H new ATOM 0 HB ILE A 60 2.106 16.829 -14.721 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.063 14.847 -15.723 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.796 14.873 -14.131 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.569 17.864 -16.386 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.221 17.712 -17.029 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.959 16.568 -17.541 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.457 15.835 -14.073 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.243 17.073 -13.673 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.988 17.047 -15.289 1.00 0.00 H new ATOM 954 N LEU A 61 2.959 13.260 -14.522 1.00 0.00 N ATOM 955 CA LEU A 61 3.592 12.416 -13.511 1.00 0.00 C ATOM 956 C LEU A 61 4.989 11.999 -13.974 1.00 0.00 C ATOM 957 O LEU A 61 5.928 12.011 -13.175 1.00 0.00 O ATOM 958 CB LEU A 61 2.728 11.174 -13.236 1.00 0.00 C ATOM 959 CG LEU A 61 1.439 11.463 -12.448 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.469 10.280 -12.537 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.728 11.732 -10.972 1.00 0.00 C ATOM 0 H LEU A 61 2.131 12.846 -14.950 1.00 0.00 H new ATOM 0 HA LEU A 61 3.685 12.986 -12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.463 10.712 -14.187 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.323 10.447 -12.683 1.00 0.00 H new ATOM 0 HG LEU A 61 0.993 12.351 -12.896 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.435 10.507 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.209 10.100 -13.580 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.942 9.390 -12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.793 11.932 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.211 10.860 -10.531 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.386 12.596 -10.882 1.00 0.00 H new ATOM 973 N SER A 62 5.144 11.670 -15.258 1.00 0.00 N ATOM 974 CA SER A 62 6.439 11.332 -15.829 1.00 0.00 C ATOM 975 C SER A 62 7.359 12.559 -15.821 1.00 0.00 C ATOM 976 O SER A 62 8.527 12.438 -15.454 1.00 0.00 O ATOM 977 CB SER A 62 6.259 10.773 -17.247 1.00 0.00 C ATOM 978 OG SER A 62 5.364 9.672 -17.252 1.00 0.00 O ATOM 0 H SER A 62 4.374 11.632 -15.926 1.00 0.00 H new ATOM 0 HA SER A 62 6.910 10.560 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.881 11.556 -17.905 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.225 10.462 -17.644 1.00 0.00 H new ATOM 0 HG SER A 62 4.448 9.996 -17.380 1.00 0.00 H new ATOM 984 N GLU A 63 6.843 13.750 -16.151 1.00 0.00 N ATOM 985 CA GLU A 63 7.619 14.990 -16.113 1.00 0.00 C ATOM 986 C GLU A 63 8.034 15.339 -14.676 1.00 0.00 C ATOM 987 O GLU A 63 9.153 15.806 -14.458 1.00 0.00 O ATOM 988 CB GLU A 63 6.817 16.146 -16.736 1.00 0.00 C ATOM 989 CG GLU A 63 6.659 16.037 -18.262 1.00 0.00 C ATOM 990 CD GLU A 63 7.991 16.238 -19.009 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.404 17.401 -19.225 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.632 15.240 -19.408 1.00 0.00 O ATOM 0 H GLU A 63 5.877 13.878 -16.451 1.00 0.00 H new ATOM 0 HA GLU A 63 8.526 14.838 -16.699 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.828 16.178 -16.279 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.310 17.088 -16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.250 15.058 -18.513 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.939 16.781 -18.603 1.00 0.00 H new ATOM 999 N MET A 64 7.171 15.070 -13.688 1.00 0.00 N ATOM 1000 CA MET A 64 7.479 15.217 -12.265 1.00 0.00 C ATOM 1001 C MET A 64 8.420 14.114 -11.756 1.00 0.00 C ATOM 1002 O MET A 64 8.820 14.154 -10.592 1.00 0.00 O ATOM 1003 CB MET A 64 6.183 15.281 -11.435 1.00 0.00 C ATOM 1004 CG MET A 64 5.461 16.621 -11.640 1.00 0.00 C ATOM 1005 SD MET A 64 4.027 16.919 -10.564 1.00 0.00 S ATOM 1006 CE MET A 64 2.902 15.615 -11.124 1.00 0.00 C ATOM 0 H MET A 64 6.222 14.738 -13.862 1.00 0.00 H new ATOM 0 HA MET A 64 8.012 16.160 -12.141 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.524 14.462 -11.721 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.417 15.148 -10.379 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.179 17.426 -11.488 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.132 16.680 -12.677 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.960 15.689 -10.581 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.715 15.729 -12.192 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.353 14.640 -10.937 1.00 0.00 H new ATOM 1016 N GLY A 65 8.803 13.144 -12.589 1.00 0.00 N ATOM 1017 CA GLY A 65 9.865 12.199 -12.278 1.00 0.00 C ATOM 1018 C GLY A 65 9.400 10.962 -11.516 1.00 0.00 C ATOM 1019 O GLY A 65 10.244 10.291 -10.918 1.00 0.00 O ATOM 0 H GLY A 65 8.378 12.995 -13.504 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.338 11.882 -13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.628 12.708 -11.690 1.00 0.00 H new ATOM 1023 N TYR A 66 8.097 10.647 -11.493 1.00 0.00 N ATOM 1024 CA TYR A 66 7.662 9.343 -10.994 1.00 0.00 C ATOM 1025 C TYR A 66 8.238 8.285 -11.939 1.00 0.00 C ATOM 1026 O TYR A 66 8.127 8.423 -13.161 1.00 0.00 O ATOM 1027 CB TYR A 66 6.134 9.256 -10.885 1.00 0.00 C ATOM 1028 CG TYR A 66 5.593 10.006 -9.681 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.267 11.373 -9.776 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.464 9.342 -8.445 1.00 0.00 C ATOM 1031 CE1 TYR A 66 4.815 12.073 -8.644 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.010 10.034 -7.309 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.687 11.406 -7.404 1.00 0.00 C ATOM 1034 OH TYR A 66 4.281 12.101 -6.309 1.00 0.00 O ATOM 0 H TYR A 66 7.346 11.262 -11.806 1.00 0.00 H new ATOM 0 HA TYR A 66 8.030 9.179 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.685 9.660 -11.792 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.837 8.209 -10.821 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.365 11.885 -10.722 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.716 8.294 -8.370 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.565 13.121 -8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.908 9.518 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 66 4.227 11.497 -5.539 1.00 0.00 H new ATOM 1044 N THR A 67 8.891 7.259 -11.390 1.00 0.00 N ATOM 1045 CA THR A 67 9.684 6.314 -12.177 1.00 0.00 C ATOM 1046 C THR A 67 8.811 5.495 -13.138 1.00 0.00 C ATOM 1047 O THR A 67 9.248 5.170 -14.246 1.00 0.00 O ATOM 1048 CB THR A 67 10.477 5.397 -11.232 1.00 0.00 C ATOM 1049 OG1 THR A 67 9.582 4.758 -10.353 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.504 6.177 -10.401 1.00 0.00 C ATOM 0 H THR A 67 8.885 7.060 -10.390 1.00 0.00 H new ATOM 0 HA THR A 67 10.381 6.881 -12.794 1.00 0.00 H new ATOM 0 HB THR A 67 11.013 4.673 -11.845 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.480 3.819 -10.615 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.041 5.489 -9.748 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.211 6.672 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.991 6.925 -9.797 1.00 0.00 H new ATOM 1058 N HIS A 68 7.575 5.188 -12.733 1.00 0.00 N ATOM 1059 CA HIS A 68 6.589 4.468 -13.518 1.00 0.00 C ATOM 1060 C HIS A 68 5.189 4.848 -13.042 1.00 0.00 C ATOM 1061 O HIS A 68 4.996 5.251 -11.892 1.00 0.00 O ATOM 1062 CB HIS A 68 6.816 2.945 -13.448 1.00 0.00 C ATOM 1063 CG HIS A 68 6.667 2.255 -12.106 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.906 2.763 -10.852 1.00 0.00 N flip ATOM 1065 CD2 HIS A 68 6.339 0.926 -11.938 1.00 0.00 C flip ATOM 1066 CE1 HIS A 68 6.731 1.732 -9.922 1.00 0.00 C flip ATOM 1067 NE2 HIS A 68 6.385 0.642 -10.626 1.00 0.00 N flip ATOM 0 H HIS A 68 7.228 5.449 -11.810 1.00 0.00 H new ATOM 0 HA HIS A 68 6.694 4.752 -14.565 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.121 2.473 -14.143 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.822 2.742 -13.816 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.166 3.725 -10.636 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.088 0.232 -12.727 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.850 1.800 -8.851 1.00 0.00 H new ATOM 1075 N VAL A 69 4.222 4.717 -13.946 1.00 0.00 N ATOM 1076 CA VAL A 69 2.819 5.048 -13.760 1.00 0.00 C ATOM 1077 C VAL A 69 2.063 4.047 -14.635 1.00 0.00 C ATOM 1078 O VAL A 69 2.549 3.689 -15.715 1.00 0.00 O ATOM 1079 CB VAL A 69 2.551 6.500 -14.223 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.088 6.919 -14.017 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.444 7.549 -13.544 1.00 0.00 C ATOM 0 H VAL A 69 4.411 4.356 -14.881 1.00 0.00 H new ATOM 0 HA VAL A 69 2.508 4.989 -12.717 1.00 0.00 H new ATOM 0 HB VAL A 69 2.791 6.479 -15.286 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.952 7.946 -14.357 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.436 6.258 -14.588 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.836 6.851 -12.959 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.194 8.540 -13.923 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.283 7.521 -12.466 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.490 7.331 -13.760 1.00 0.00 H new ATOM 1091 N GLU A 70 0.874 3.623 -14.221 1.00 0.00 N ATOM 1092 CA GLU A 70 0.064 2.663 -14.955 1.00 0.00 C ATOM 1093 C GLU A 70 -1.337 3.243 -15.093 1.00 0.00 C ATOM 1094 O GLU A 70 -1.975 3.557 -14.086 1.00 0.00 O ATOM 1095 CB GLU A 70 0.013 1.321 -14.206 1.00 0.00 C ATOM 1096 CG GLU A 70 1.385 0.653 -14.040 1.00 0.00 C ATOM 1097 CD GLU A 70 1.256 -0.775 -13.483 1.00 0.00 C ATOM 1098 OE1 GLU A 70 0.549 -0.978 -12.471 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.867 -1.707 -14.057 1.00 0.00 O ATOM 0 H GLU A 70 0.442 3.942 -13.354 1.00 0.00 H new ATOM 0 HA GLU A 70 0.497 2.480 -15.938 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.424 1.482 -13.221 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.650 0.641 -14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.895 0.624 -15.003 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.003 1.251 -13.370 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.832 3.405 -16.324 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.246 3.699 -16.505 1.00 0.00 C ATOM 1108 C ASN A 71 -3.993 2.385 -16.289 1.00 0.00 C ATOM 1109 O ASN A 71 -3.936 1.499 -17.144 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.580 4.314 -17.871 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.096 4.361 -18.091 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.584 4.004 -19.158 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.876 4.767 -17.097 1.00 0.00 N ATOM 0 H ASN A 71 -1.288 3.339 -17.184 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.550 4.460 -15.787 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.168 5.321 -17.932 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.111 3.729 -18.662 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.889 4.784 -17.218 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.463 5.062 -16.212 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.650 2.241 -15.136 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.350 1.016 -14.771 1.00 0.00 C ATOM 1122 C ALA A 72 -6.524 0.727 -15.716 1.00 0.00 C ATOM 1123 O ALA A 72 -6.881 -0.437 -15.906 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.835 1.115 -13.323 1.00 0.00 C ATOM 0 H ALA A 72 -4.709 2.975 -14.430 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.652 0.184 -14.864 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.358 0.198 -13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.980 1.254 -12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.513 1.963 -13.223 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.120 1.767 -16.306 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.246 1.666 -17.219 1.00 0.00 C ATOM 1132 C GLY A 73 -9.097 2.923 -17.106 1.00 0.00 C ATOM 1133 O GLY A 73 -8.584 4.005 -16.804 1.00 0.00 O ATOM 0 H GLY A 73 -6.818 2.729 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.890 1.544 -18.242 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.843 0.786 -16.982 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.400 2.764 -17.314 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.409 3.771 -17.029 1.00 0.00 C ATOM 1139 C GLY A 74 -12.498 3.121 -16.183 1.00 0.00 C ATOM 1140 O GLY A 74 -12.557 1.892 -16.092 1.00 0.00 O ATOM 0 H GLY A 74 -10.792 1.904 -17.697 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.967 4.614 -16.498 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.829 4.162 -17.956 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.352 3.935 -15.563 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.317 3.512 -14.545 1.00 0.00 C ATOM 1146 C LEU A 75 -15.135 2.296 -14.986 1.00 0.00 C ATOM 1147 O LEU A 75 -15.241 1.321 -14.240 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.209 4.722 -14.190 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.206 4.551 -13.022 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.475 3.764 -13.372 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -15.533 3.969 -11.772 1.00 0.00 C ATOM 0 H LEU A 75 -13.394 4.935 -15.760 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.781 3.184 -13.654 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.557 5.564 -13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.776 4.995 -15.080 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.539 5.565 -12.802 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.115 3.695 -12.492 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.011 4.275 -14.171 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.202 2.762 -13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.271 3.866 -10.976 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.113 2.991 -12.007 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.736 4.636 -11.444 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.701 2.341 -16.196 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.543 1.264 -16.714 1.00 0.00 C ATOM 1165 C LYS A 76 -15.719 0.008 -17.019 1.00 0.00 C ATOM 1166 O LYS A 76 -16.211 -1.105 -16.835 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.285 1.774 -17.964 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.344 0.784 -18.475 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.125 1.374 -19.657 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.172 0.367 -20.153 1.00 0.00 C ATOM 1171 NZ LYS A 76 -20.958 0.890 -21.298 1.00 0.00 N ATOM 0 H LYS A 76 -15.588 3.123 -16.840 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.272 0.977 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.765 2.725 -17.733 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.562 1.966 -18.757 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.861 -0.144 -18.781 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.033 0.534 -17.668 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.614 2.300 -19.354 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.440 1.626 -20.466 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.674 -0.556 -20.449 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.848 0.116 -19.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.652 0.176 -21.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.456 1.757 -21.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.318 1.105 -22.089 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.488 0.177 -17.505 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.642 -0.926 -17.959 1.00 0.00 C ATOM 1187 C ASP A 77 -13.065 -1.719 -16.784 1.00 0.00 C ATOM 1188 O ASP A 77 -12.960 -2.944 -16.865 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.497 -0.386 -18.823 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.563 -1.520 -19.276 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -11.955 -2.315 -20.161 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.420 -1.600 -18.776 1.00 0.00 O ATOM 0 H ASP A 77 -14.047 1.092 -17.595 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.266 -1.599 -18.547 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.905 0.124 -19.696 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.929 0.354 -18.259 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.704 -1.037 -15.692 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.163 -1.663 -14.488 1.00 0.00 C ATOM 1199 C ILE A 78 -13.268 -2.541 -13.886 1.00 0.00 C ATOM 1200 O ILE A 78 -14.375 -2.062 -13.631 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.625 -0.574 -13.525 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.390 0.119 -14.154 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.243 -1.177 -12.158 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.007 1.441 -13.481 1.00 0.00 C ATOM 0 H ILE A 78 -12.782 -0.022 -15.622 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.309 -2.305 -14.706 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.416 0.159 -13.365 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.540 -0.562 -14.105 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.589 0.305 -15.210 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.869 -0.389 -11.504 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.121 -1.638 -11.705 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.468 -1.931 -12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.134 1.863 -13.979 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.840 2.141 -13.553 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.775 1.261 -12.431 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.978 -3.828 -13.667 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.972 -4.813 -13.242 1.00 0.00 C ATOM 1218 C ALA A 79 -14.310 -4.729 -11.745 1.00 0.00 C ATOM 1219 O ALA A 79 -15.348 -5.249 -11.330 1.00 0.00 O ATOM 1220 CB ALA A 79 -13.460 -6.218 -13.581 1.00 0.00 C ATOM 0 H ALA A 79 -12.041 -4.215 -13.781 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.895 -4.594 -13.779 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.195 -6.959 -13.267 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.301 -6.298 -14.656 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.519 -6.398 -13.061 1.00 0.00 H new ATOM 1226 N MET A 80 -13.442 -4.116 -10.931 1.00 0.00 N ATOM 1227 CA MET A 80 -13.629 -4.016 -9.480 1.00 0.00 C ATOM 1228 C MET A 80 -14.881 -3.184 -9.136 1.00 0.00 C ATOM 1229 O MET A 80 -15.297 -2.352 -9.951 1.00 0.00 O ATOM 1230 CB MET A 80 -12.361 -3.434 -8.829 1.00 0.00 C ATOM 1231 CG MET A 80 -11.190 -4.426 -8.886 1.00 0.00 C ATOM 1232 SD MET A 80 -9.802 -4.076 -7.765 1.00 0.00 S ATOM 1233 CE MET A 80 -9.313 -2.419 -8.314 1.00 0.00 C ATOM 0 H MET A 80 -12.585 -3.673 -11.263 1.00 0.00 H new ATOM 0 HA MET A 80 -13.793 -5.015 -9.076 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.082 -2.511 -9.337 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.570 -3.176 -7.791 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.571 -5.422 -8.662 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.810 -4.452 -9.907 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.360 -2.151 -7.859 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.212 -2.410 -9.399 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.073 -1.697 -8.015 1.00 0.00 H new ATOM 1243 N PRO A 81 -15.494 -3.389 -7.953 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.711 -2.689 -7.539 1.00 0.00 C ATOM 1245 C PRO A 81 -16.470 -1.197 -7.271 1.00 0.00 C ATOM 1246 O PRO A 81 -15.330 -0.745 -7.125 1.00 0.00 O ATOM 1247 CB PRO A 81 -17.205 -3.423 -6.285 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.929 -4.024 -5.704 1.00 0.00 C ATOM 1249 CD PRO A 81 -15.128 -4.383 -6.950 1.00 0.00 C ATOM 0 HA PRO A 81 -17.458 -2.706 -8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.684 -2.741 -5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.936 -4.193 -6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.398 -3.312 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.137 -4.901 -5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.057 -4.359 -6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.366 -5.390 -7.292 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.565 -0.432 -7.178 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.552 1.026 -7.066 1.00 0.00 C ATOM 1259 C LYS A 82 -18.371 1.468 -5.855 1.00 0.00 C ATOM 1260 O LYS A 82 -19.285 0.759 -5.431 1.00 0.00 O ATOM 1261 CB LYS A 82 -18.128 1.696 -8.335 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.301 1.567 -9.625 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.513 0.255 -10.391 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.592 0.198 -11.615 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.544 -1.161 -12.197 1.00 0.00 N ATOM 0 H LYS A 82 -18.507 -0.823 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.514 1.336 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -19.116 1.276 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.267 2.757 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.546 2.400 -10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.244 1.659 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.312 -0.593 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.553 0.174 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.942 0.905 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.587 0.508 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.779 -1.211 -12.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.368 -1.855 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.452 -1.373 -12.658 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.075 2.662 -5.343 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.780 3.341 -4.257 1.00 0.00 C ATOM 1281 C VAL A 83 -18.796 4.846 -4.558 1.00 0.00 C ATOM 1282 O VAL A 83 -17.981 5.328 -5.353 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.105 3.040 -2.895 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.345 1.592 -2.448 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.591 3.317 -2.891 1.00 0.00 C ATOM 0 H VAL A 83 -17.292 3.213 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.805 2.977 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.576 3.726 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.856 1.421 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.416 1.416 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.934 0.909 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.181 3.085 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.105 2.694 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.413 4.368 -3.120 1.00 0.00 H new