USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 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 83:sc= 1.32 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.786 K(o=2.1,f=-3.9!) USER MOD Set 2.1: A 12 GLN : amide:sc= 0.868 K(o=1.6,f=-3.2) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.754 K(o=1.6,f=-2.5!) USER MOD Set 3.1: A 48 CYS SG : rot -63:sc= 1.85 USER MOD Set 3.2: A 54 SER OG : rot 162:sc= 2.07 USER MOD Set 4.1: A 41 ASN : amide:sc= 0.985 K(o=1,f=-0.021) USER MOD Set 4.2: A 67 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0482 X(o=-0.048,f=0) USER MOD Single : A 13 TYR OH : rot 2:sc= 1.24 USER MOD Single : A 14 GLN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.932 K(o=0.93,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.48 K(o=1.5,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.982) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.1) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.13) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.437 USER MOD Single : A 53 GLN : amide:sc= 0.901 K(o=0.9,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.184 X(o=0.18,f=-0.16) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0.988 (180deg=0.987) USER MOD Single : A 62 SER OG : rot 72:sc= 1.29 USER MOD Single : A 64 MET CE :methyl -152:sc= -0.272 (180deg=-2.38!) USER MOD Single : A 66 TYR OH : rot -172:sc= 1.32 USER MOD Single : A 71 ASN : amide:sc= 0.273 K(o=0.27,f=-2.5!) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 1.13 (180deg=1.06) USER MOD Single : A 80 MET CE :methyl -176:sc= 0 (180deg=-0.0206) USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= 2.07 (180deg=1.33) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.434 -0.287 1.371 1.00 0.00 N ATOM 2 CA ALA A 1 0.557 -0.343 -0.104 1.00 0.00 C ATOM 3 C ALA A 1 1.381 -1.568 -0.529 1.00 0.00 C ATOM 4 O ALA A 1 2.494 -1.427 -1.043 1.00 0.00 O ATOM 5 CB ALA A 1 1.136 0.975 -0.658 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.126 0.547 1.641 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.040 -1.148 1.713 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.381 -0.221 1.796 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.437 -0.457 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.217 0.909 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.477 1.802 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.124 1.147 -0.230 1.00 0.00 H new ATOM 13 N GLU A 2 0.856 -2.783 -0.342 1.00 0.00 N ATOM 14 CA GLU A 2 1.466 -4.028 -0.801 1.00 0.00 C ATOM 15 C GLU A 2 0.343 -5.057 -0.987 1.00 0.00 C ATOM 16 O GLU A 2 -0.621 -5.063 -0.214 1.00 0.00 O ATOM 17 CB GLU A 2 2.479 -4.509 0.259 1.00 0.00 C ATOM 18 CG GLU A 2 3.229 -5.800 -0.111 1.00 0.00 C ATOM 19 CD GLU A 2 4.194 -6.239 1.004 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.220 -5.558 1.230 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.946 -7.287 1.643 1.00 0.00 O ATOM 0 H GLU A 2 -0.028 -2.928 0.146 1.00 0.00 H new ATOM 0 HA GLU A 2 1.994 -3.889 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.208 -3.717 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.952 -4.667 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.510 -6.596 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.787 -5.644 -1.034 1.00 0.00 H new ATOM 28 N HIS A 3 0.507 -5.958 -1.955 1.00 0.00 N ATOM 29 CA HIS A 3 -0.301 -7.153 -2.166 1.00 0.00 C ATOM 30 C HIS A 3 0.641 -8.249 -2.666 1.00 0.00 C ATOM 31 O HIS A 3 1.719 -7.949 -3.179 1.00 0.00 O ATOM 32 CB HIS A 3 -1.394 -6.923 -3.223 1.00 0.00 C ATOM 33 CG HIS A 3 -2.445 -5.896 -2.882 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.383 -5.975 -1.875 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.708 -4.753 -3.588 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.181 -4.898 -1.966 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.814 -4.120 -3.003 1.00 0.00 N ATOM 0 H HIS A 3 1.248 -5.866 -2.650 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.794 -7.424 -1.233 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.913 -6.624 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.893 -7.874 -3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.158 -4.400 -4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.004 -4.685 -1.299 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.251 -3.248 -3.302 1.00 0.00 H new ATOM 45 N TRP A 4 0.213 -9.508 -2.584 1.00 0.00 N ATOM 46 CA TRP A 4 0.955 -10.650 -3.100 1.00 0.00 C ATOM 47 C TRP A 4 0.034 -11.375 -4.064 1.00 0.00 C ATOM 48 O TRP A 4 -1.049 -11.807 -3.662 1.00 0.00 O ATOM 49 CB TRP A 4 1.394 -11.568 -1.951 1.00 0.00 C ATOM 50 CG TRP A 4 2.488 -11.056 -1.060 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.381 -10.018 -0.200 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.855 -11.554 -0.902 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.575 -9.823 0.458 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.515 -10.760 0.087 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.607 -12.598 -1.489 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.842 -10.996 0.479 1.00 0.00 C ATOM 57 CZ3 TRP A 4 5.937 -12.845 -1.099 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.556 -12.048 -0.119 1.00 0.00 C ATOM 0 H TRP A 4 -0.674 -9.764 -2.150 1.00 0.00 H new ATOM 0 HA TRP A 4 1.863 -10.331 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.522 -11.779 -1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.719 -12.517 -2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.489 -9.428 -0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.743 -9.079 1.135 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.153 -13.216 -2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.308 -10.377 1.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.487 -13.654 -1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.577 -12.244 0.173 1.00 0.00 H new ATOM 69 N ILE A 5 0.449 -11.484 -5.326 1.00 0.00 N ATOM 70 CA ILE A 5 -0.319 -12.149 -6.361 1.00 0.00 C ATOM 71 C ILE A 5 0.573 -13.268 -6.888 1.00 0.00 C ATOM 72 O ILE A 5 1.648 -13.041 -7.447 1.00 0.00 O ATOM 73 CB ILE A 5 -0.801 -11.194 -7.481 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.669 -9.989 -7.041 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.679 -12.013 -8.448 1.00 0.00 C ATOM 76 CD1 ILE A 5 -0.973 -8.931 -6.182 1.00 0.00 C ATOM 0 H ILE A 5 1.338 -11.107 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.248 -12.544 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 5 0.114 -10.781 -7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.057 -9.502 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.527 -10.369 -6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.036 -11.368 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.092 -12.828 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.531 -12.423 -7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.680 -8.139 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.610 -9.390 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.133 -8.510 -6.734 1.00 0.00 H new ATOM 88 N ASP A 6 0.118 -14.489 -6.665 1.00 0.00 N ATOM 89 CA ASP A 6 0.662 -15.694 -7.252 1.00 0.00 C ATOM 90 C ASP A 6 0.309 -15.693 -8.739 1.00 0.00 C ATOM 91 O ASP A 6 -0.876 -15.734 -9.080 1.00 0.00 O ATOM 92 CB ASP A 6 -0.002 -16.871 -6.544 1.00 0.00 C ATOM 93 CG ASP A 6 0.502 -18.219 -7.022 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.683 -18.367 -7.390 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.301 -19.174 -6.979 1.00 0.00 O ATOM 0 H ASP A 6 -0.671 -14.671 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 6 1.745 -15.759 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.171 -16.786 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.080 -16.818 -6.698 1.00 0.00 H new ATOM 100 N VAL A 7 1.306 -15.612 -9.622 1.00 0.00 N ATOM 101 CA VAL A 7 1.097 -15.573 -11.076 1.00 0.00 C ATOM 102 C VAL A 7 1.210 -16.969 -11.706 1.00 0.00 C ATOM 103 O VAL A 7 1.100 -17.129 -12.925 1.00 0.00 O ATOM 104 CB VAL A 7 2.018 -14.530 -11.740 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.783 -13.127 -11.158 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.511 -14.877 -11.636 1.00 0.00 C ATOM 0 H VAL A 7 2.288 -15.571 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 7 0.074 -15.247 -11.263 1.00 0.00 H new ATOM 0 HB VAL A 7 1.751 -14.543 -12.797 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.447 -12.414 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.747 -12.832 -11.326 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.987 -13.138 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.100 -14.100 -12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.797 -14.943 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.697 -15.834 -12.124 1.00 0.00 H new ATOM 116 N ARG A 8 1.464 -17.976 -10.872 1.00 0.00 N ATOM 117 CA ARG A 8 1.511 -19.399 -11.189 1.00 0.00 C ATOM 118 C ARG A 8 0.142 -19.887 -11.660 1.00 0.00 C ATOM 119 O ARG A 8 -0.876 -19.232 -11.419 1.00 0.00 O ATOM 120 CB ARG A 8 1.859 -20.064 -9.859 1.00 0.00 C ATOM 121 CG ARG A 8 2.303 -21.528 -9.816 1.00 0.00 C ATOM 122 CD ARG A 8 2.701 -21.956 -8.388 1.00 0.00 C ATOM 123 NE ARG A 8 1.910 -21.303 -7.333 1.00 0.00 N ATOM 124 CZ ARG A 8 1.544 -21.812 -6.159 1.00 0.00 C ATOM 125 NH1 ARG A 8 1.898 -23.031 -5.768 1.00 0.00 N ATOM 126 NH2 ARG A 8 0.798 -21.074 -5.361 1.00 0.00 N ATOM 0 H ARG A 8 1.656 -17.804 -9.885 1.00 0.00 H new ATOM 0 HA ARG A 8 2.224 -19.624 -11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.653 -19.473 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.984 -19.974 -9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.495 -22.165 -10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.148 -21.673 -10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.589 -23.036 -8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.756 -21.730 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 8 1.607 -20.348 -7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.472 -23.615 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.596 -23.383 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.515 -20.137 -5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.503 -21.440 -4.456 1.00 0.00 H new ATOM 140 N VAL A 9 0.104 -21.081 -12.251 1.00 0.00 N ATOM 141 CA VAL A 9 -1.156 -21.750 -12.547 1.00 0.00 C ATOM 142 C VAL A 9 -1.957 -21.990 -11.250 1.00 0.00 C ATOM 143 O VAL A 9 -1.368 -22.305 -10.211 1.00 0.00 O ATOM 144 CB VAL A 9 -0.920 -23.043 -13.361 1.00 0.00 C ATOM 145 CG1 VAL A 9 -0.358 -22.710 -14.751 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.016 -24.050 -12.670 1.00 0.00 C ATOM 0 H VAL A 9 0.934 -21.603 -12.533 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.764 -21.101 -13.177 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.898 -23.517 -13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.198 -23.632 -15.309 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.066 -22.079 -15.288 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.590 -22.182 -14.643 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.133 -24.931 -13.302 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.990 -23.589 -12.507 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.411 -24.345 -11.711 1.00 0.00 H new ATOM 156 N PRO A 10 -3.297 -21.875 -11.288 1.00 0.00 N ATOM 157 CA PRO A 10 -4.131 -21.920 -10.089 1.00 0.00 C ATOM 158 C PRO A 10 -4.233 -23.330 -9.491 1.00 0.00 C ATOM 159 O PRO A 10 -4.575 -23.486 -8.318 1.00 0.00 O ATOM 160 CB PRO A 10 -5.490 -21.384 -10.544 1.00 0.00 C ATOM 161 CG PRO A 10 -5.564 -21.792 -12.011 1.00 0.00 C ATOM 162 CD PRO A 10 -4.119 -21.607 -12.465 1.00 0.00 C ATOM 0 HA PRO A 10 -3.705 -21.324 -9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.306 -21.818 -9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.555 -20.302 -10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.901 -22.822 -12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.253 -21.163 -12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.874 -22.291 -13.278 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.952 -20.596 -12.837 1.00 0.00 H new ATOM 170 N GLU A 11 -3.922 -24.368 -10.270 1.00 0.00 N ATOM 171 CA GLU A 11 -3.888 -25.755 -9.811 1.00 0.00 C ATOM 172 C GLU A 11 -2.879 -25.933 -8.668 1.00 0.00 C ATOM 173 O GLU A 11 -3.103 -26.741 -7.767 1.00 0.00 O ATOM 174 CB GLU A 11 -3.542 -26.652 -11.014 1.00 0.00 C ATOM 175 CG GLU A 11 -3.690 -28.159 -10.750 1.00 0.00 C ATOM 176 CD GLU A 11 -5.155 -28.580 -10.519 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.915 -28.714 -11.505 1.00 0.00 O ATOM 178 OE2 GLU A 11 -5.554 -28.806 -9.356 1.00 0.00 O ATOM 0 H GLU A 11 -3.682 -24.264 -11.256 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.862 -26.039 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.184 -26.378 -11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.516 -26.449 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.286 -28.714 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.096 -28.431 -9.878 1.00 0.00 H new ATOM 185 N GLN A 12 -1.775 -25.175 -8.672 1.00 0.00 N ATOM 186 CA GLN A 12 -0.746 -25.290 -7.641 1.00 0.00 C ATOM 187 C GLN A 12 -1.050 -24.388 -6.439 1.00 0.00 C ATOM 188 O GLN A 12 -0.667 -24.728 -5.320 1.00 0.00 O ATOM 189 CB GLN A 12 0.630 -24.978 -8.238 1.00 0.00 C ATOM 190 CG GLN A 12 1.094 -26.009 -9.279 1.00 0.00 C ATOM 191 CD GLN A 12 2.511 -25.716 -9.781 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.402 -25.351 -9.015 1.00 0.00 O ATOM 193 NE2 GLN A 12 2.761 -25.854 -11.073 1.00 0.00 N ATOM 0 H GLN A 12 -1.575 -24.473 -9.384 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.741 -26.316 -7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.601 -23.992 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.364 -24.930 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.063 -27.007 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.403 -26.010 -10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.021 -26.157 -11.706 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.694 -25.658 -11.436 1.00 0.00 H new ATOM 202 N TYR A 13 -1.777 -23.279 -6.623 1.00 0.00 N ATOM 203 CA TYR A 13 -2.289 -22.475 -5.508 1.00 0.00 C ATOM 204 C TYR A 13 -3.133 -23.337 -4.568 1.00 0.00 C ATOM 205 O TYR A 13 -3.009 -23.235 -3.349 1.00 0.00 O ATOM 206 CB TYR A 13 -3.089 -21.281 -6.045 1.00 0.00 C ATOM 207 CG TYR A 13 -3.641 -20.344 -4.983 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.853 -19.286 -4.489 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.964 -20.497 -4.526 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.392 -18.358 -3.579 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.503 -19.589 -3.598 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.724 -18.506 -3.129 1.00 0.00 C ATOM 213 OH TYR A 13 -5.277 -17.604 -2.272 1.00 0.00 O ATOM 0 H TYR A 13 -2.025 -22.916 -7.543 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.448 -22.088 -4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.450 -20.708 -6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.920 -21.659 -6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.827 -19.186 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.567 -21.315 -4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.790 -17.534 -3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.514 -19.719 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.628 -16.896 -2.079 1.00 0.00 H new ATOM 223 N GLN A 14 -3.922 -24.254 -5.132 1.00 0.00 N ATOM 224 CA GLN A 14 -4.748 -25.210 -4.396 1.00 0.00 C ATOM 225 C GLN A 14 -3.917 -26.332 -3.733 1.00 0.00 C ATOM 226 O GLN A 14 -4.489 -27.328 -3.284 1.00 0.00 O ATOM 227 CB GLN A 14 -5.809 -25.764 -5.367 1.00 0.00 C ATOM 228 CG GLN A 14 -6.805 -24.679 -5.817 1.00 0.00 C ATOM 229 CD GLN A 14 -7.618 -25.134 -7.027 1.00 0.00 C ATOM 230 OE1 GLN A 14 -8.656 -25.781 -6.902 1.00 0.00 O ATOM 231 NE2 GLN A 14 -7.161 -24.806 -8.225 1.00 0.00 N ATOM 0 H GLN A 14 -4.005 -24.354 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.237 -24.701 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.314 -26.186 -6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.352 -26.577 -4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.478 -24.438 -4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.263 -23.766 -6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.298 -24.269 -8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.672 -25.090 -9.061 1.00 0.00 H new ATOM 240 N GLN A 15 -2.584 -26.206 -3.676 1.00 0.00 N ATOM 241 CA GLN A 15 -1.675 -27.186 -3.087 1.00 0.00 C ATOM 242 C GLN A 15 -0.710 -26.504 -2.115 1.00 0.00 C ATOM 243 O GLN A 15 -0.509 -27.017 -1.015 1.00 0.00 O ATOM 244 CB GLN A 15 -0.921 -27.953 -4.190 1.00 0.00 C ATOM 245 CG GLN A 15 -1.858 -28.782 -5.083 1.00 0.00 C ATOM 246 CD GLN A 15 -1.110 -29.434 -6.247 1.00 0.00 C ATOM 247 OE1 GLN A 15 -0.259 -30.301 -6.060 1.00 0.00 O ATOM 248 NE2 GLN A 15 -1.408 -29.033 -7.472 1.00 0.00 N ATOM 0 H GLN A 15 -2.098 -25.392 -4.052 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.258 -27.911 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.370 -27.244 -4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.186 -28.613 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.341 -29.554 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.648 -28.141 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.116 -28.313 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.930 -29.444 -8.274 1.00 0.00 H new ATOM 257 N GLU A 16 -0.183 -25.327 -2.456 1.00 0.00 N ATOM 258 CA GLU A 16 0.593 -24.477 -1.554 1.00 0.00 C ATOM 259 C GLU A 16 0.488 -23.033 -2.042 1.00 0.00 C ATOM 260 O GLU A 16 0.521 -22.801 -3.251 1.00 0.00 O ATOM 261 CB GLU A 16 2.063 -24.938 -1.525 1.00 0.00 C ATOM 262 CG GLU A 16 2.923 -24.122 -0.544 1.00 0.00 C ATOM 263 CD GLU A 16 4.362 -24.657 -0.428 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.560 -25.849 -0.100 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.308 -23.863 -0.629 1.00 0.00 O ATOM 0 H GLU A 16 -0.287 -24.930 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 16 0.201 -24.549 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.104 -25.991 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.485 -24.856 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.952 -23.082 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.455 -24.134 0.440 1.00 0.00 H new ATOM 272 N HIS A 17 0.405 -22.061 -1.134 1.00 0.00 N ATOM 273 CA HIS A 17 0.469 -20.636 -1.438 1.00 0.00 C ATOM 274 C HIS A 17 0.964 -19.862 -0.213 1.00 0.00 C ATOM 275 O HIS A 17 0.942 -20.375 0.907 1.00 0.00 O ATOM 276 CB HIS A 17 -0.906 -20.132 -1.911 1.00 0.00 C ATOM 277 CG HIS A 17 -2.080 -20.444 -1.011 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.897 -21.548 -1.098 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.614 -19.633 -0.045 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.887 -21.412 -0.202 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.760 -20.254 0.471 1.00 0.00 N ATOM 0 H HIS A 17 0.288 -22.251 -0.139 1.00 0.00 H new ATOM 0 HA HIS A 17 1.179 -20.469 -2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.849 -19.051 -2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.106 -20.557 -2.894 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.772 -22.335 -1.735 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.219 -18.677 0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.676 -22.132 -0.043 1.00 0.00 H new ATOM 289 N VAL A 18 1.422 -18.627 -0.421 1.00 0.00 N ATOM 290 CA VAL A 18 1.747 -17.698 0.658 1.00 0.00 C ATOM 291 C VAL A 18 0.435 -17.282 1.330 1.00 0.00 C ATOM 292 O VAL A 18 -0.550 -16.989 0.647 1.00 0.00 O ATOM 293 CB VAL A 18 2.523 -16.488 0.092 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.841 -15.447 1.176 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.849 -16.939 -0.539 1.00 0.00 C ATOM 0 H VAL A 18 1.579 -18.241 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 18 2.391 -18.166 1.402 1.00 0.00 H new ATOM 0 HB VAL A 18 1.877 -16.034 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.387 -14.615 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.912 -15.080 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.450 -15.907 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.379 -16.071 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.463 -17.429 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.647 -17.638 -1.351 1.00 0.00 H new ATOM 305 N GLN A 19 0.424 -17.246 2.664 1.00 0.00 N ATOM 306 CA GLN A 19 -0.735 -16.873 3.465 1.00 0.00 C ATOM 307 C GLN A 19 -1.305 -15.528 2.996 1.00 0.00 C ATOM 308 O GLN A 19 -0.592 -14.523 2.950 1.00 0.00 O ATOM 309 CB GLN A 19 -0.317 -16.844 4.946 1.00 0.00 C ATOM 310 CG GLN A 19 -1.495 -16.642 5.908 1.00 0.00 C ATOM 311 CD GLN A 19 -1.025 -16.688 7.364 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.779 -15.659 7.989 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.877 -17.874 7.936 1.00 0.00 N ATOM 0 H GLN A 19 1.241 -17.481 3.227 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.532 -17.606 3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.187 -17.779 5.192 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.406 -16.043 5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.974 -15.684 5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.245 -17.415 5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.083 -18.723 7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.557 -17.938 8.902 1.00 0.00 H new ATOM 322 N GLY A 20 -2.598 -15.516 2.660 1.00 0.00 N ATOM 323 CA GLY A 20 -3.346 -14.310 2.317 1.00 0.00 C ATOM 324 C GLY A 20 -3.075 -13.774 0.907 1.00 0.00 C ATOM 325 O GLY A 20 -3.695 -12.780 0.522 1.00 0.00 O ATOM 0 H GLY A 20 -3.163 -16.364 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.411 -14.518 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.106 -13.531 3.041 1.00 0.00 H new ATOM 329 N ALA A 21 -2.176 -14.390 0.130 1.00 0.00 N ATOM 330 CA ALA A 21 -1.927 -13.987 -1.249 1.00 0.00 C ATOM 331 C ALA A 21 -3.123 -14.345 -2.135 1.00 0.00 C ATOM 332 O ALA A 21 -3.800 -15.351 -1.896 1.00 0.00 O ATOM 333 CB ALA A 21 -0.674 -14.689 -1.770 1.00 0.00 C ATOM 0 H ALA A 21 -1.607 -15.177 0.442 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.780 -12.907 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.490 -14.387 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.181 -14.413 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.818 -15.769 -1.729 1.00 0.00 H new ATOM 339 N ILE A 22 -3.348 -13.555 -3.185 1.00 0.00 N ATOM 340 CA ILE A 22 -4.289 -13.888 -4.253 1.00 0.00 C ATOM 341 C ILE A 22 -3.556 -14.799 -5.245 1.00 0.00 C ATOM 342 O ILE A 22 -2.324 -14.854 -5.251 1.00 0.00 O ATOM 343 CB ILE A 22 -4.821 -12.624 -5.003 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.583 -11.277 -4.276 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.316 -12.822 -5.319 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.170 -10.046 -4.982 1.00 0.00 C ATOM 0 H ILE A 22 -2.879 -12.659 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.157 -14.379 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.235 -12.541 -5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.010 -11.341 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.510 -11.131 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.696 -11.945 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.441 -13.703 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.869 -12.958 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.952 -9.153 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.726 -9.948 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.250 -10.162 -5.078 1.00 0.00 H new ATOM 358 N ASN A 23 -4.299 -15.447 -6.142 1.00 0.00 N ATOM 359 CA ASN A 23 -3.748 -16.069 -7.340 1.00 0.00 C ATOM 360 C ASN A 23 -4.512 -15.466 -8.496 1.00 0.00 C ATOM 361 O ASN A 23 -5.745 -15.441 -8.485 1.00 0.00 O ATOM 362 CB ASN A 23 -3.843 -17.602 -7.361 1.00 0.00 C ATOM 363 CG ASN A 23 -3.465 -18.168 -8.737 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.235 -18.083 -9.685 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.291 -18.753 -8.895 1.00 0.00 N ATOM 0 H ASN A 23 -5.310 -15.554 -6.054 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.677 -15.874 -7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.183 -18.019 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.857 -17.909 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.028 -19.132 -9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.647 -18.825 -8.107 1.00 0.00 H new ATOM 372 N ILE A 24 -3.763 -14.975 -9.473 1.00 0.00 N ATOM 373 CA ILE A 24 -4.290 -14.556 -10.755 1.00 0.00 C ATOM 374 C ILE A 24 -3.199 -15.007 -11.726 1.00 0.00 C ATOM 375 O ILE A 24 -2.096 -14.462 -11.651 1.00 0.00 O ATOM 376 CB ILE A 24 -4.552 -13.030 -10.823 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.327 -12.448 -9.616 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.280 -12.759 -12.140 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.488 -10.922 -9.629 1.00 0.00 C ATOM 0 H ILE A 24 -2.753 -14.856 -9.391 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.267 -14.986 -10.977 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.591 -12.517 -10.778 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.317 -12.903 -9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.814 -12.737 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.485 -11.692 -12.230 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.655 -13.080 -12.974 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.219 -13.312 -12.157 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.043 -10.607 -8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.504 -10.452 -9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.031 -10.621 -10.525 1.00 0.00 H new ATOM 391 N PRO A 25 -3.439 -16.013 -12.583 1.00 0.00 N ATOM 392 CA PRO A 25 -2.386 -16.573 -13.416 1.00 0.00 C ATOM 393 C PRO A 25 -1.896 -15.494 -14.390 1.00 0.00 C ATOM 394 O PRO A 25 -2.660 -14.600 -14.758 1.00 0.00 O ATOM 395 CB PRO A 25 -3.016 -17.801 -14.080 1.00 0.00 C ATOM 396 CG PRO A 25 -4.499 -17.443 -14.159 1.00 0.00 C ATOM 397 CD PRO A 25 -4.721 -16.633 -12.882 1.00 0.00 C ATOM 0 HA PRO A 25 -1.494 -16.886 -12.874 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.594 -17.984 -15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.852 -18.704 -13.492 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.727 -16.861 -15.052 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.129 -18.332 -14.188 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.496 -15.880 -13.025 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.047 -17.274 -12.063 1.00 0.00 H new ATOM 405 N LEU A 26 -0.629 -15.567 -14.808 1.00 0.00 N ATOM 406 CA LEU A 26 0.062 -14.497 -15.539 1.00 0.00 C ATOM 407 C LEU A 26 -0.721 -13.956 -16.748 1.00 0.00 C ATOM 408 O LEU A 26 -0.779 -12.744 -16.959 1.00 0.00 O ATOM 409 CB LEU A 26 1.464 -15.001 -15.933 1.00 0.00 C ATOM 410 CG LEU A 26 2.370 -13.974 -16.646 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.445 -12.635 -15.907 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.787 -14.554 -16.761 1.00 0.00 C ATOM 0 H LEU A 26 -0.043 -16.386 -14.646 1.00 0.00 H new ATOM 0 HA LEU A 26 0.147 -13.637 -14.875 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.973 -15.343 -15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.349 -15.869 -16.583 1.00 0.00 H new ATOM 0 HG LEU A 26 1.935 -13.784 -17.627 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.096 -11.953 -16.455 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.447 -12.204 -15.834 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.846 -12.794 -14.906 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.435 -13.836 -17.264 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.178 -14.760 -15.765 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.756 -15.479 -17.337 1.00 0.00 H new ATOM 424 N LYS A 27 -1.370 -14.837 -17.513 1.00 0.00 N ATOM 425 CA LYS A 27 -2.201 -14.466 -18.656 1.00 0.00 C ATOM 426 C LYS A 27 -3.319 -13.505 -18.243 1.00 0.00 C ATOM 427 O LYS A 27 -3.599 -12.551 -18.969 1.00 0.00 O ATOM 428 CB LYS A 27 -2.756 -15.749 -19.300 1.00 0.00 C ATOM 429 CG LYS A 27 -3.579 -15.466 -20.565 1.00 0.00 C ATOM 430 CD LYS A 27 -4.017 -16.771 -21.244 1.00 0.00 C ATOM 431 CE LYS A 27 -4.840 -16.459 -22.502 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.289 -17.689 -23.199 1.00 0.00 N ATOM 0 H LYS A 27 -1.331 -15.843 -17.351 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.596 -13.933 -19.390 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.928 -16.413 -19.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.379 -16.275 -18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.457 -14.875 -20.306 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.988 -14.871 -21.261 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.142 -17.364 -21.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.609 -17.370 -20.552 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.709 -15.862 -22.226 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.242 -15.855 -23.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.840 -17.429 -24.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.460 -18.247 -23.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.882 -18.254 -22.558 1.00 0.00 H new ATOM 446 N GLU A 28 -3.957 -13.744 -17.095 1.00 0.00 N ATOM 447 CA GLU A 28 -5.002 -12.873 -16.581 1.00 0.00 C ATOM 448 C GLU A 28 -4.408 -11.652 -15.899 1.00 0.00 C ATOM 449 O GLU A 28 -4.903 -10.555 -16.135 1.00 0.00 O ATOM 450 CB GLU A 28 -5.913 -13.612 -15.584 1.00 0.00 C ATOM 451 CG GLU A 28 -7.267 -13.962 -16.207 1.00 0.00 C ATOM 452 CD GLU A 28 -8.187 -14.670 -15.198 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.542 -14.054 -14.166 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.582 -15.833 -15.443 1.00 0.00 O ATOM 0 H GLU A 28 -3.759 -14.548 -16.500 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.598 -12.556 -17.437 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.420 -14.524 -15.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.068 -12.990 -14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.750 -13.053 -16.565 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.114 -14.604 -17.074 1.00 0.00 H new ATOM 461 N VAL A 29 -3.376 -11.813 -15.066 1.00 0.00 N ATOM 462 CA VAL A 29 -2.907 -10.749 -14.170 1.00 0.00 C ATOM 463 C VAL A 29 -2.570 -9.478 -14.933 1.00 0.00 C ATOM 464 O VAL A 29 -2.897 -8.388 -14.481 1.00 0.00 O ATOM 465 CB VAL A 29 -1.740 -11.236 -13.284 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.334 -11.076 -13.878 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.753 -10.527 -11.923 1.00 0.00 C ATOM 0 H VAL A 29 -2.843 -12.680 -14.993 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.727 -10.494 -13.499 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.924 -12.307 -13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.405 -11.451 -13.170 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.265 -11.641 -14.807 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.142 -10.022 -14.079 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.921 -10.887 -11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.654 -9.452 -12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.692 -10.738 -11.412 1.00 0.00 H new ATOM 477 N LYS A 30 -1.977 -9.624 -16.115 1.00 0.00 N ATOM 478 CA LYS A 30 -1.615 -8.501 -16.966 1.00 0.00 C ATOM 479 C LYS A 30 -2.802 -7.585 -17.246 1.00 0.00 C ATOM 480 O LYS A 30 -2.620 -6.374 -17.287 1.00 0.00 O ATOM 481 CB LYS A 30 -0.970 -9.063 -18.245 1.00 0.00 C ATOM 482 CG LYS A 30 -0.534 -7.945 -19.203 1.00 0.00 C ATOM 483 CD LYS A 30 0.067 -8.502 -20.501 1.00 0.00 C ATOM 484 CE LYS A 30 0.137 -7.403 -21.573 1.00 0.00 C ATOM 485 NZ LYS A 30 -1.173 -7.169 -22.233 1.00 0.00 N ATOM 0 H LYS A 30 -1.734 -10.533 -16.509 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.893 -7.864 -16.456 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.105 -9.671 -17.979 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.678 -9.719 -18.751 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.392 -7.317 -19.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.199 -7.309 -18.708 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.065 -8.895 -20.308 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.538 -9.333 -20.862 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.481 -6.475 -21.116 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.875 -7.680 -22.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.150 -6.261 -22.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.363 -7.937 -22.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.925 -7.146 -21.514 1.00 0.00 H new ATOM 499 N GLU A 31 -4.010 -8.117 -17.388 1.00 0.00 N ATOM 500 CA GLU A 31 -5.194 -7.293 -17.595 1.00 0.00 C ATOM 501 C GLU A 31 -5.897 -7.055 -16.255 1.00 0.00 C ATOM 502 O GLU A 31 -6.265 -5.929 -15.922 1.00 0.00 O ATOM 503 CB GLU A 31 -6.119 -7.981 -18.611 1.00 0.00 C ATOM 504 CG GLU A 31 -5.458 -8.247 -19.977 1.00 0.00 C ATOM 505 CD GLU A 31 -4.840 -6.993 -20.624 1.00 0.00 C ATOM 506 OE1 GLU A 31 -5.567 -6.000 -20.857 1.00 0.00 O ATOM 507 OE2 GLU A 31 -3.628 -7.010 -20.942 1.00 0.00 O ATOM 0 H GLU A 31 -4.195 -9.120 -17.363 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.912 -6.320 -17.998 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.461 -8.928 -18.193 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.003 -7.361 -18.761 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.681 -9.001 -19.853 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.202 -8.665 -20.655 1.00 0.00 H new ATOM 514 N ARG A 32 -6.056 -8.114 -15.462 1.00 0.00 N ATOM 515 CA ARG A 32 -6.878 -8.131 -14.259 1.00 0.00 C ATOM 516 C ARG A 32 -6.285 -7.306 -13.121 1.00 0.00 C ATOM 517 O ARG A 32 -7.049 -6.813 -12.290 1.00 0.00 O ATOM 518 CB ARG A 32 -7.132 -9.595 -13.863 1.00 0.00 C ATOM 519 CG ARG A 32 -8.118 -9.736 -12.694 1.00 0.00 C ATOM 520 CD ARG A 32 -8.610 -11.185 -12.584 1.00 0.00 C ATOM 521 NE ARG A 32 -9.148 -11.483 -11.247 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.342 -12.711 -10.745 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.129 -13.797 -11.484 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.751 -12.846 -9.487 1.00 0.00 N ATOM 0 H ARG A 32 -5.602 -9.008 -15.647 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.831 -7.648 -14.474 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.519 -10.137 -14.726 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.185 -10.062 -13.591 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.635 -9.437 -11.764 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.966 -9.067 -12.842 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.381 -11.364 -13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.787 -11.865 -12.804 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.393 -10.690 -10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.813 -13.703 -12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.282 -14.723 -11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.915 -12.019 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.901 -13.776 -9.097 1.00 0.00 H new ATOM 538 N ILE A 33 -4.963 -7.107 -13.068 1.00 0.00 N ATOM 539 CA ILE A 33 -4.351 -6.282 -12.026 1.00 0.00 C ATOM 540 C ILE A 33 -4.929 -4.868 -12.082 1.00 0.00 C ATOM 541 O ILE A 33 -5.124 -4.267 -11.033 1.00 0.00 O ATOM 542 CB ILE A 33 -2.804 -6.289 -12.089 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.164 -5.770 -10.775 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.259 -5.499 -13.292 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.207 -6.820 -9.660 1.00 0.00 C ATOM 0 H ILE A 33 -4.300 -7.505 -13.733 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.599 -6.719 -11.059 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.519 -7.333 -12.219 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.129 -5.485 -10.964 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.687 -4.872 -10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.170 -5.536 -13.288 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.634 -5.939 -14.216 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.587 -4.462 -13.225 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.748 -6.413 -8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.243 -7.086 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.661 -7.709 -9.976 1.00 0.00 H new ATOM 557 N ALA A 34 -5.282 -4.362 -13.271 1.00 0.00 N ATOM 558 CA ALA A 34 -5.878 -3.037 -13.388 1.00 0.00 C ATOM 559 C ALA A 34 -7.182 -2.907 -12.591 1.00 0.00 C ATOM 560 O ALA A 34 -7.492 -1.824 -12.092 1.00 0.00 O ATOM 561 CB ALA A 34 -6.108 -2.698 -14.863 1.00 0.00 C ATOM 0 H ALA A 34 -5.164 -4.852 -14.158 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.177 -2.322 -12.957 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.554 -1.706 -14.943 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.155 -2.712 -15.392 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.779 -3.434 -15.305 1.00 0.00 H new ATOM 567 N THR A 35 -7.933 -3.999 -12.453 1.00 0.00 N ATOM 568 CA THR A 35 -9.163 -4.051 -11.675 1.00 0.00 C ATOM 569 C THR A 35 -8.844 -4.349 -10.203 1.00 0.00 C ATOM 570 O THR A 35 -9.452 -3.764 -9.304 1.00 0.00 O ATOM 571 CB THR A 35 -10.087 -5.129 -12.284 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.110 -5.020 -13.701 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.525 -5.011 -11.769 1.00 0.00 C ATOM 0 H THR A 35 -7.695 -4.890 -12.890 1.00 0.00 H new ATOM 0 HA THR A 35 -9.674 -3.089 -11.709 1.00 0.00 H new ATOM 0 HB THR A 35 -9.682 -6.095 -11.982 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.698 -5.710 -14.073 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.139 -5.788 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.534 -5.128 -10.685 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.926 -4.032 -12.031 1.00 0.00 H new ATOM 581 N ALA A 36 -7.889 -5.250 -9.950 1.00 0.00 N ATOM 582 CA ALA A 36 -7.601 -5.764 -8.612 1.00 0.00 C ATOM 583 C ALA A 36 -6.803 -4.764 -7.767 1.00 0.00 C ATOM 584 O ALA A 36 -6.996 -4.687 -6.553 1.00 0.00 O ATOM 585 CB ALA A 36 -6.835 -7.087 -8.729 1.00 0.00 C ATOM 0 H ALA A 36 -7.291 -5.645 -10.676 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.551 -5.927 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.619 -7.472 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.440 -7.811 -9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.900 -6.920 -9.264 1.00 0.00 H new ATOM 591 N VAL A 37 -5.916 -4.004 -8.408 1.00 0.00 N ATOM 592 CA VAL A 37 -4.977 -3.066 -7.809 1.00 0.00 C ATOM 593 C VAL A 37 -4.874 -1.859 -8.762 1.00 0.00 C ATOM 594 O VAL A 37 -3.903 -1.744 -9.514 1.00 0.00 O ATOM 595 CB VAL A 37 -3.605 -3.743 -7.555 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.729 -2.847 -6.675 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.694 -5.135 -6.908 1.00 0.00 C ATOM 0 H VAL A 37 -5.831 -4.031 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.323 -2.730 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.165 -3.881 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.768 -3.333 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.568 -1.892 -7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.226 -2.678 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.690 -5.535 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.193 -5.056 -5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.262 -5.802 -7.556 1.00 0.00 H new ATOM 607 N PRO A 38 -5.886 -0.971 -8.801 1.00 0.00 N ATOM 608 CA PRO A 38 -5.847 0.225 -9.639 1.00 0.00 C ATOM 609 C PRO A 38 -4.640 1.126 -9.342 1.00 0.00 C ATOM 610 O PRO A 38 -4.147 1.813 -10.238 1.00 0.00 O ATOM 611 CB PRO A 38 -7.155 0.978 -9.362 1.00 0.00 C ATOM 612 CG PRO A 38 -8.085 -0.079 -8.774 1.00 0.00 C ATOM 613 CD PRO A 38 -7.137 -1.039 -8.063 1.00 0.00 C ATOM 0 HA PRO A 38 -5.744 -0.061 -10.686 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.999 1.802 -8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.568 1.407 -10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.804 0.360 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.659 -0.585 -9.551 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.994 -0.750 -7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.536 -2.053 -8.060 1.00 0.00 H new ATOM 621 N ASP A 39 -4.183 1.153 -8.084 1.00 0.00 N ATOM 622 CA ASP A 39 -3.038 1.946 -7.647 1.00 0.00 C ATOM 623 C ASP A 39 -1.742 1.349 -8.197 1.00 0.00 C ATOM 624 O ASP A 39 -1.206 0.379 -7.655 1.00 0.00 O ATOM 625 CB ASP A 39 -2.988 2.042 -6.117 1.00 0.00 C ATOM 626 CG ASP A 39 -1.751 2.819 -5.618 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.071 3.497 -6.422 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.485 2.783 -4.395 1.00 0.00 O ATOM 0 H ASP A 39 -4.610 0.613 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.149 2.957 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.892 2.533 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.979 1.038 -5.692 1.00 0.00 H new ATOM 633 N LYS A 40 -1.220 1.940 -9.275 1.00 0.00 N ATOM 634 CA LYS A 40 0.017 1.494 -9.909 1.00 0.00 C ATOM 635 C LYS A 40 1.244 1.593 -8.996 1.00 0.00 C ATOM 636 O LYS A 40 2.256 0.964 -9.306 1.00 0.00 O ATOM 637 CB LYS A 40 0.223 2.241 -11.238 1.00 0.00 C ATOM 638 CG LYS A 40 -0.780 1.753 -12.299 1.00 0.00 C ATOM 639 CD LYS A 40 -0.336 2.103 -13.724 1.00 0.00 C ATOM 640 CE LYS A 40 -1.371 1.585 -14.733 1.00 0.00 C ATOM 641 NZ LYS A 40 -0.925 1.759 -16.137 1.00 0.00 N ATOM 0 H LYS A 40 -1.648 2.745 -9.732 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.091 0.429 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.101 3.313 -11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.241 2.085 -11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.900 0.673 -12.213 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.756 2.198 -12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.225 3.183 -13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.639 1.661 -13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.563 0.529 -14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.314 2.112 -14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.706 1.522 -16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.637 2.747 -16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.118 1.130 -16.325 1.00 0.00 H new ATOM 655 N ASN A 41 1.175 2.335 -7.885 1.00 0.00 N ATOM 656 CA ASN A 41 2.275 2.487 -6.933 1.00 0.00 C ATOM 657 C ASN A 41 2.107 1.530 -5.741 1.00 0.00 C ATOM 658 O ASN A 41 2.871 1.614 -4.778 1.00 0.00 O ATOM 659 CB ASN A 41 2.370 3.958 -6.479 1.00 0.00 C ATOM 660 CG ASN A 41 3.800 4.404 -6.161 1.00 0.00 C ATOM 661 OD1 ASN A 41 4.327 5.312 -6.798 1.00 0.00 O ATOM 662 ND2 ASN A 41 4.459 3.812 -5.181 1.00 0.00 N ATOM 0 H ASN A 41 0.338 2.854 -7.620 1.00 0.00 H new ATOM 0 HA ASN A 41 3.211 2.221 -7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.963 4.599 -7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.748 4.099 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.408 4.109 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.019 3.058 -4.653 1.00 0.00 H new ATOM 669 N ASP A 42 1.117 0.631 -5.750 1.00 0.00 N ATOM 670 CA ASP A 42 1.060 -0.438 -4.754 1.00 0.00 C ATOM 671 C ASP A 42 2.259 -1.361 -4.949 1.00 0.00 C ATOM 672 O ASP A 42 2.680 -1.592 -6.089 1.00 0.00 O ATOM 673 CB ASP A 42 -0.197 -1.286 -4.901 1.00 0.00 C ATOM 674 CG ASP A 42 -0.370 -2.155 -3.657 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.889 -1.633 -2.645 1.00 0.00 O ATOM 676 OD2 ASP A 42 0.063 -3.324 -3.688 1.00 0.00 O ATOM 0 H ASP A 42 0.355 0.623 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 42 1.060 0.030 -3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.068 -0.645 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.124 -1.913 -5.789 1.00 0.00 H new ATOM 681 N THR A 43 2.789 -1.922 -3.865 1.00 0.00 N ATOM 682 CA THR A 43 3.812 -2.942 -3.952 1.00 0.00 C ATOM 683 C THR A 43 3.186 -4.274 -4.382 1.00 0.00 C ATOM 684 O THR A 43 2.882 -5.135 -3.555 1.00 0.00 O ATOM 685 CB THR A 43 4.634 -3.030 -2.663 1.00 0.00 C ATOM 686 OG1 THR A 43 5.049 -1.742 -2.251 1.00 0.00 O ATOM 687 CG2 THR A 43 5.851 -3.908 -2.926 1.00 0.00 C ATOM 0 H THR A 43 2.519 -1.680 -2.912 1.00 0.00 H new ATOM 0 HA THR A 43 4.531 -2.667 -4.724 1.00 0.00 H new ATOM 0 HB THR A 43 4.024 -3.460 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.324 -1.308 -1.754 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.449 -3.982 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.524 -4.903 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.452 -3.468 -3.721 1.00 0.00 H new ATOM 695 N VAL A 44 2.989 -4.441 -5.688 1.00 0.00 N ATOM 696 CA VAL A 44 2.533 -5.690 -6.277 1.00 0.00 C ATOM 697 C VAL A 44 3.706 -6.674 -6.200 1.00 0.00 C ATOM 698 O VAL A 44 4.595 -6.661 -7.059 1.00 0.00 O ATOM 699 CB VAL A 44 2.006 -5.464 -7.714 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.373 -6.743 -8.278 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.929 -4.366 -7.763 1.00 0.00 C ATOM 0 H VAL A 44 3.145 -3.701 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 44 1.685 -6.107 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 44 2.871 -5.166 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.011 -6.555 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.118 -7.538 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.539 -7.046 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.586 -4.239 -8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.088 -4.653 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.350 -3.427 -7.402 1.00 0.00 H new ATOM 711 N LYS A 45 3.748 -7.491 -5.144 1.00 0.00 N ATOM 712 CA LYS A 45 4.671 -8.615 -5.061 1.00 0.00 C ATOM 713 C LYS A 45 4.163 -9.670 -6.035 1.00 0.00 C ATOM 714 O LYS A 45 2.957 -9.941 -6.066 1.00 0.00 O ATOM 715 CB LYS A 45 4.730 -9.207 -3.644 1.00 0.00 C ATOM 716 CG LYS A 45 5.161 -8.223 -2.546 1.00 0.00 C ATOM 717 CD LYS A 45 6.608 -8.428 -2.082 1.00 0.00 C ATOM 718 CE LYS A 45 6.828 -7.624 -0.795 1.00 0.00 C ATOM 719 NZ LYS A 45 8.210 -7.744 -0.279 1.00 0.00 N ATOM 0 H LYS A 45 3.144 -7.389 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 45 5.680 -8.282 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.746 -9.602 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.421 -10.050 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.046 -7.204 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.494 -8.329 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.802 -9.486 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.303 -8.101 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.604 -6.574 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.128 -7.967 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.255 -7.357 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.489 -8.746 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.858 -7.213 -0.896 1.00 0.00 H new ATOM 733 N VAL A 46 5.067 -10.316 -6.764 1.00 0.00 N ATOM 734 CA VAL A 46 4.720 -11.394 -7.687 1.00 0.00 C ATOM 735 C VAL A 46 5.580 -12.613 -7.369 1.00 0.00 C ATOM 736 O VAL A 46 6.787 -12.473 -7.152 1.00 0.00 O ATOM 737 CB VAL A 46 4.827 -10.928 -9.158 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.762 -9.868 -9.477 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.206 -10.365 -9.548 1.00 0.00 C ATOM 0 H VAL A 46 6.065 -10.107 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 46 3.677 -11.682 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 46 4.667 -11.832 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.859 -9.557 -10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.770 -10.289 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.901 -9.005 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.193 -10.062 -10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.436 -9.502 -8.924 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.967 -11.132 -9.402 1.00 0.00 H new ATOM 749 N TYR A 47 4.970 -13.803 -7.345 1.00 0.00 N ATOM 750 CA TYR A 47 5.662 -15.070 -7.122 1.00 0.00 C ATOM 751 C TYR A 47 4.999 -16.196 -7.927 1.00 0.00 C ATOM 752 O TYR A 47 3.901 -16.019 -8.458 1.00 0.00 O ATOM 753 CB TYR A 47 5.732 -15.400 -5.624 1.00 0.00 C ATOM 754 CG TYR A 47 4.467 -15.952 -4.998 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.459 -15.079 -4.547 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.311 -17.343 -4.846 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.307 -15.595 -3.929 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.157 -17.864 -4.241 1.00 0.00 C ATOM 759 CZ TYR A 47 2.157 -16.992 -3.766 1.00 0.00 C ATOM 760 OH TYR A 47 1.051 -17.516 -3.165 1.00 0.00 O ATOM 0 H TYR A 47 3.965 -13.911 -7.483 1.00 0.00 H new ATOM 0 HA TYR A 47 6.688 -14.973 -7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.533 -16.123 -5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.012 -14.494 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.571 -14.013 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.083 -18.012 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.536 -14.925 -3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.035 -18.932 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 47 1.002 -18.477 -3.351 1.00 0.00 H new ATOM 770 N CYS A 48 5.678 -17.340 -8.032 1.00 0.00 N ATOM 771 CA CYS A 48 5.203 -18.588 -8.609 1.00 0.00 C ATOM 772 C CYS A 48 5.970 -19.727 -7.921 1.00 0.00 C ATOM 773 O CYS A 48 6.436 -19.548 -6.795 1.00 0.00 O ATOM 774 CB CYS A 48 5.342 -18.549 -10.145 1.00 0.00 C ATOM 775 SG CYS A 48 7.078 -18.421 -10.657 1.00 0.00 S ATOM 0 H CYS A 48 6.637 -17.419 -7.692 1.00 0.00 H new ATOM 0 HA CYS A 48 4.140 -18.752 -8.434 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.901 -19.449 -10.574 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.782 -17.701 -10.540 1.00 0.00 H new ATOM 0 HG CYS A 48 7.577 -17.301 -10.224 1.00 0.00 H new ATOM 781 N ASN A 49 6.097 -20.902 -8.548 1.00 0.00 N ATOM 782 CA ASN A 49 6.768 -22.046 -7.924 1.00 0.00 C ATOM 783 C ASN A 49 8.284 -21.837 -7.972 1.00 0.00 C ATOM 784 O ASN A 49 8.929 -21.689 -6.932 1.00 0.00 O ATOM 785 CB ASN A 49 6.345 -23.353 -8.626 1.00 0.00 C ATOM 786 CG ASN A 49 6.828 -24.610 -7.899 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.957 -24.698 -7.428 1.00 0.00 O ATOM 788 ND2 ASN A 49 5.976 -25.615 -7.791 1.00 0.00 N ATOM 0 H ASN A 49 5.744 -21.085 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 49 6.472 -22.126 -6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.258 -23.381 -8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.738 -23.355 -9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.256 -26.472 -7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.039 -25.534 -8.185 1.00 0.00 H new ATOM 795 N ALA A 50 8.838 -21.771 -9.189 1.00 0.00 N ATOM 796 CA ALA A 50 10.281 -21.761 -9.413 1.00 0.00 C ATOM 797 C ALA A 50 10.866 -20.346 -9.463 1.00 0.00 C ATOM 798 O ALA A 50 12.074 -20.193 -9.282 1.00 0.00 O ATOM 799 CB ALA A 50 10.592 -22.508 -10.717 1.00 0.00 C ATOM 0 H ALA A 50 8.291 -21.723 -10.048 1.00 0.00 H new ATOM 0 HA ALA A 50 10.750 -22.261 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.668 -22.504 -10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.240 -23.537 -10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.089 -22.014 -11.548 1.00 0.00 H new ATOM 805 N GLY A 51 10.045 -19.323 -9.716 1.00 0.00 N ATOM 806 CA GLY A 51 10.458 -17.920 -9.779 1.00 0.00 C ATOM 807 C GLY A 51 10.517 -17.371 -11.208 1.00 0.00 C ATOM 808 O GLY A 51 10.515 -16.155 -11.399 1.00 0.00 O ATOM 0 H GLY A 51 9.048 -19.452 -9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.764 -17.317 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.439 -17.816 -9.316 1.00 0.00 H new ATOM 812 N ARG A 52 10.565 -18.234 -12.233 1.00 0.00 N ATOM 813 CA ARG A 52 10.713 -17.782 -13.621 1.00 0.00 C ATOM 814 C ARG A 52 9.485 -17.015 -14.116 1.00 0.00 C ATOM 815 O ARG A 52 9.641 -15.979 -14.764 1.00 0.00 O ATOM 816 CB ARG A 52 11.106 -18.949 -14.552 1.00 0.00 C ATOM 817 CG ARG A 52 10.075 -20.090 -14.667 1.00 0.00 C ATOM 818 CD ARG A 52 10.560 -21.226 -15.579 1.00 0.00 C ATOM 819 NE ARG A 52 11.722 -21.947 -15.022 1.00 0.00 N ATOM 820 CZ ARG A 52 12.338 -22.989 -15.598 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.916 -23.465 -16.768 1.00 0.00 N ATOM 822 NH2 ARG A 52 13.380 -23.554 -14.997 1.00 0.00 N ATOM 0 H ARG A 52 10.504 -19.246 -12.126 1.00 0.00 H new ATOM 0 HA ARG A 52 11.536 -17.068 -13.646 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.289 -18.548 -15.549 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.048 -19.369 -14.199 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.866 -20.489 -13.674 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.137 -19.691 -15.055 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.744 -21.930 -15.741 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.825 -20.816 -16.554 1.00 0.00 H new ATOM 0 HE ARG A 52 12.086 -21.626 -14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.117 -23.036 -17.235 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.392 -24.258 -17.197 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.708 -23.195 -14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.851 -24.347 -15.432 1.00 0.00 H new ATOM 836 N GLN A 53 8.272 -17.481 -13.798 1.00 0.00 N ATOM 837 CA GLN A 53 7.053 -16.851 -14.301 1.00 0.00 C ATOM 838 C GLN A 53 6.839 -15.506 -13.605 1.00 0.00 C ATOM 839 O GLN A 53 6.455 -14.541 -14.259 1.00 0.00 O ATOM 840 CB GLN A 53 5.853 -17.807 -14.152 1.00 0.00 C ATOM 841 CG GLN A 53 4.651 -17.431 -15.029 1.00 0.00 C ATOM 842 CD GLN A 53 3.755 -18.637 -15.334 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.136 -19.531 -16.086 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.551 -18.706 -14.788 1.00 0.00 N ATOM 0 H GLN A 53 8.112 -18.289 -13.197 1.00 0.00 H new ATOM 0 HA GLN A 53 7.153 -16.647 -15.367 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.172 -18.818 -14.403 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.539 -17.822 -13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.064 -16.662 -14.527 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.007 -17.000 -15.965 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.231 -17.966 -14.163 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.943 -19.499 -14.992 1.00 0.00 H new ATOM 853 N SER A 54 7.151 -15.399 -12.311 1.00 0.00 N ATOM 854 CA SER A 54 7.137 -14.131 -11.592 1.00 0.00 C ATOM 855 C SER A 54 8.244 -13.195 -12.080 1.00 0.00 C ATOM 856 O SER A 54 8.050 -11.979 -12.080 1.00 0.00 O ATOM 857 CB SER A 54 7.225 -14.386 -10.085 1.00 0.00 C ATOM 858 OG SER A 54 8.007 -15.532 -9.790 1.00 0.00 O ATOM 0 H SER A 54 7.421 -16.195 -11.734 1.00 0.00 H new ATOM 0 HA SER A 54 6.194 -13.625 -11.797 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.657 -13.514 -9.593 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.222 -14.516 -9.679 1.00 0.00 H new ATOM 0 HG SER A 54 8.289 -15.503 -8.852 1.00 0.00 H new ATOM 864 N GLY A 55 9.393 -13.725 -12.506 1.00 0.00 N ATOM 865 CA GLY A 55 10.455 -12.941 -13.123 1.00 0.00 C ATOM 866 C GLY A 55 9.938 -12.259 -14.386 1.00 0.00 C ATOM 867 O GLY A 55 10.045 -11.040 -14.520 1.00 0.00 O ATOM 0 H GLY A 55 9.610 -14.719 -12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.820 -12.192 -12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.298 -13.586 -13.368 1.00 0.00 H new ATOM 871 N GLN A 56 9.299 -13.027 -15.275 1.00 0.00 N ATOM 872 CA GLN A 56 8.683 -12.475 -16.475 1.00 0.00 C ATOM 873 C GLN A 56 7.553 -11.505 -16.106 1.00 0.00 C ATOM 874 O GLN A 56 7.425 -10.453 -16.739 1.00 0.00 O ATOM 875 CB GLN A 56 8.196 -13.625 -17.376 1.00 0.00 C ATOM 876 CG GLN A 56 7.626 -13.175 -18.731 1.00 0.00 C ATOM 877 CD GLN A 56 8.606 -12.352 -19.572 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.341 -12.885 -20.399 1.00 0.00 O ATOM 879 NE2 GLN A 56 8.641 -11.040 -19.383 1.00 0.00 N ATOM 0 H GLN A 56 9.198 -14.038 -15.180 1.00 0.00 H new ATOM 0 HA GLN A 56 9.420 -11.898 -17.035 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.027 -14.307 -17.554 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.430 -14.188 -16.843 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.326 -14.056 -19.299 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.726 -12.585 -18.558 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.026 -10.607 -18.694 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.283 -10.463 -19.927 1.00 0.00 H new ATOM 888 N ALA A 57 6.756 -11.830 -15.081 1.00 0.00 N ATOM 889 CA ALA A 57 5.654 -10.994 -14.626 1.00 0.00 C ATOM 890 C ALA A 57 6.138 -9.633 -14.140 1.00 0.00 C ATOM 891 O ALA A 57 5.473 -8.638 -14.419 1.00 0.00 O ATOM 892 CB ALA A 57 4.867 -11.685 -13.512 1.00 0.00 C ATOM 0 H ALA A 57 6.864 -12.690 -14.543 1.00 0.00 H new ATOM 0 HA ALA A 57 5.000 -10.839 -15.484 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.050 -11.040 -13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.462 -12.626 -13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.528 -11.882 -12.668 1.00 0.00 H new ATOM 898 N LYS A 58 7.284 -9.561 -13.448 1.00 0.00 N ATOM 899 CA LYS A 58 7.811 -8.277 -12.997 1.00 0.00 C ATOM 900 C LYS A 58 8.000 -7.351 -14.199 1.00 0.00 C ATOM 901 O LYS A 58 7.624 -6.179 -14.142 1.00 0.00 O ATOM 902 CB LYS A 58 9.102 -8.430 -12.169 1.00 0.00 C ATOM 903 CG LYS A 58 9.836 -7.079 -12.047 1.00 0.00 C ATOM 904 CD LYS A 58 10.917 -7.034 -10.966 1.00 0.00 C ATOM 905 CE LYS A 58 11.813 -5.798 -11.156 1.00 0.00 C ATOM 906 NZ LYS A 58 12.741 -5.927 -12.311 1.00 0.00 N ATOM 0 H LYS A 58 7.853 -10.368 -13.194 1.00 0.00 H new ATOM 0 HA LYS A 58 7.085 -7.825 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.860 -8.809 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.757 -9.164 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.292 -6.841 -13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.102 -6.300 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.453 -7.007 -9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.522 -7.940 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.185 -4.919 -11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.392 -5.633 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.342 -5.080 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.339 -6.768 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.192 -6.023 -13.189 1.00 0.00 H new ATOM 920 N GLU A 59 8.578 -7.861 -15.284 1.00 0.00 N ATOM 921 CA GLU A 59 8.919 -7.032 -16.430 1.00 0.00 C ATOM 922 C GLU A 59 7.639 -6.652 -17.175 1.00 0.00 C ATOM 923 O GLU A 59 7.489 -5.503 -17.581 1.00 0.00 O ATOM 924 CB GLU A 59 9.921 -7.762 -17.338 1.00 0.00 C ATOM 925 CG GLU A 59 11.266 -8.051 -16.645 1.00 0.00 C ATOM 926 CD GLU A 59 11.985 -6.776 -16.164 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.554 -6.043 -17.006 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.006 -6.510 -14.940 1.00 0.00 O ATOM 0 H GLU A 59 8.819 -8.846 -15.391 1.00 0.00 H new ATOM 0 HA GLU A 59 9.402 -6.114 -16.095 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.482 -8.702 -17.672 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.100 -7.160 -18.229 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.095 -8.708 -15.792 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.916 -8.588 -17.336 1.00 0.00 H new ATOM 935 N ILE A 60 6.680 -7.579 -17.278 1.00 0.00 N ATOM 936 CA ILE A 60 5.359 -7.318 -17.841 1.00 0.00 C ATOM 937 C ILE A 60 4.687 -6.172 -17.076 1.00 0.00 C ATOM 938 O ILE A 60 4.207 -5.222 -17.695 1.00 0.00 O ATOM 939 CB ILE A 60 4.546 -8.638 -17.843 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.026 -9.531 -19.010 1.00 0.00 C ATOM 941 CG2 ILE A 60 3.029 -8.408 -17.921 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.522 -10.979 -18.940 1.00 0.00 C ATOM 0 H ILE A 60 6.805 -8.542 -16.968 1.00 0.00 H new ATOM 0 HA ILE A 60 5.427 -6.986 -18.877 1.00 0.00 H new ATOM 0 HB ILE A 60 4.726 -9.139 -16.892 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.698 -9.089 -19.951 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.116 -9.537 -19.024 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.515 -9.369 -17.919 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.705 -7.821 -17.061 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.789 -7.870 -18.838 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.903 -11.539 -19.794 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.872 -11.442 -18.017 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.432 -10.986 -18.959 1.00 0.00 H new ATOM 954 N LEU A 61 4.662 -6.219 -15.743 1.00 0.00 N ATOM 955 CA LEU A 61 3.997 -5.189 -14.953 1.00 0.00 C ATOM 956 C LEU A 61 4.774 -3.870 -14.981 1.00 0.00 C ATOM 957 O LEU A 61 4.166 -2.801 -14.902 1.00 0.00 O ATOM 958 CB LEU A 61 3.759 -5.670 -13.516 1.00 0.00 C ATOM 959 CG LEU A 61 2.735 -6.817 -13.377 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.490 -7.077 -11.888 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.397 -6.520 -14.069 1.00 0.00 C ATOM 0 H LEU A 61 5.095 -6.960 -15.191 1.00 0.00 H new ATOM 0 HA LEU A 61 3.024 -4.998 -15.407 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.710 -5.998 -13.096 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.420 -4.825 -12.917 1.00 0.00 H new ATOM 0 HG LEU A 61 3.156 -7.693 -13.870 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.768 -7.886 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.428 -7.358 -11.409 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.100 -6.173 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.722 -7.365 -13.934 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.952 -5.626 -13.632 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.566 -6.357 -15.133 1.00 0.00 H new ATOM 973 N SER A 62 6.096 -3.921 -15.145 1.00 0.00 N ATOM 974 CA SER A 62 6.899 -2.724 -15.352 1.00 0.00 C ATOM 975 C SER A 62 6.527 -2.063 -16.689 1.00 0.00 C ATOM 976 O SER A 62 6.363 -0.845 -16.739 1.00 0.00 O ATOM 977 CB SER A 62 8.390 -3.074 -15.279 1.00 0.00 C ATOM 978 OG SER A 62 8.703 -3.703 -14.046 1.00 0.00 O ATOM 0 H SER A 62 6.634 -4.788 -15.138 1.00 0.00 H new ATOM 0 HA SER A 62 6.691 -2.003 -14.561 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.654 -3.734 -16.106 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.986 -2.168 -15.391 1.00 0.00 H new ATOM 0 HG SER A 62 8.328 -4.608 -14.036 1.00 0.00 H new ATOM 984 N GLU A 63 6.310 -2.843 -17.756 1.00 0.00 N ATOM 985 CA GLU A 63 5.852 -2.332 -19.047 1.00 0.00 C ATOM 986 C GLU A 63 4.408 -1.810 -18.961 1.00 0.00 C ATOM 987 O GLU A 63 4.073 -0.828 -19.627 1.00 0.00 O ATOM 988 CB GLU A 63 5.982 -3.415 -20.133 1.00 0.00 C ATOM 989 CG GLU A 63 7.436 -3.700 -20.544 1.00 0.00 C ATOM 990 CD GLU A 63 8.077 -2.524 -21.303 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.850 -2.387 -22.527 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.833 -1.734 -20.693 1.00 0.00 O ATOM 0 H GLU A 63 6.449 -3.853 -17.744 1.00 0.00 H new ATOM 0 HA GLU A 63 6.489 -1.492 -19.322 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.528 -4.337 -19.771 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.418 -3.106 -21.013 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.026 -3.918 -19.653 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.465 -4.591 -21.171 1.00 0.00 H new ATOM 999 N MET A 64 3.567 -2.404 -18.104 1.00 0.00 N ATOM 1000 CA MET A 64 2.237 -1.885 -17.760 1.00 0.00 C ATOM 1001 C MET A 64 2.314 -0.568 -16.971 1.00 0.00 C ATOM 1002 O MET A 64 1.283 0.068 -16.738 1.00 0.00 O ATOM 1003 CB MET A 64 1.448 -2.928 -16.953 1.00 0.00 C ATOM 1004 CG MET A 64 1.035 -4.154 -17.776 1.00 0.00 C ATOM 1005 SD MET A 64 -0.362 -3.892 -18.903 1.00 0.00 S ATOM 1006 CE MET A 64 -1.662 -3.561 -17.679 1.00 0.00 C ATOM 0 H MET A 64 3.796 -3.273 -17.622 1.00 0.00 H new ATOM 0 HA MET A 64 1.721 -1.680 -18.698 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.053 -3.255 -16.107 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.554 -2.458 -16.543 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.894 -4.487 -18.359 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.782 -4.963 -17.091 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.629 -3.860 -18.085 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.459 -4.128 -16.770 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.680 -2.496 -17.446 1.00 0.00 H new ATOM 1016 N GLY A 65 3.506 -0.139 -16.549 1.00 0.00 N ATOM 1017 CA GLY A 65 3.721 1.138 -15.894 1.00 0.00 C ATOM 1018 C GLY A 65 3.437 1.092 -14.395 1.00 0.00 C ATOM 1019 O GLY A 65 3.277 2.153 -13.794 1.00 0.00 O ATOM 0 H GLY A 65 4.360 -0.686 -16.659 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.752 1.454 -16.054 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.082 1.890 -16.357 1.00 0.00 H new ATOM 1023 N TYR A 66 3.343 -0.095 -13.779 1.00 0.00 N ATOM 1024 CA TYR A 66 3.304 -0.184 -12.323 1.00 0.00 C ATOM 1025 C TYR A 66 4.673 0.272 -11.811 1.00 0.00 C ATOM 1026 O TYR A 66 5.711 -0.164 -12.316 1.00 0.00 O ATOM 1027 CB TYR A 66 2.907 -1.591 -11.850 1.00 0.00 C ATOM 1028 CG TYR A 66 1.409 -1.850 -11.874 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.717 -1.925 -13.099 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.696 -1.979 -10.664 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.682 -2.066 -13.116 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.703 -2.129 -10.673 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.401 -2.136 -11.901 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.760 -2.182 -11.925 1.00 0.00 O ATOM 0 H TYR A 66 3.294 -0.992 -14.263 1.00 0.00 H new ATOM 0 HA TYR A 66 2.532 0.465 -11.909 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.403 -2.329 -12.480 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.275 -1.740 -10.835 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.263 -1.874 -14.029 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.228 -1.963 -9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.207 -2.121 -14.058 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.242 -2.238 -9.743 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.106 -2.095 -11.012 1.00 0.00 H new ATOM 1044 N THR A 67 4.680 1.168 -10.827 1.00 0.00 N ATOM 1045 CA THR A 67 5.864 1.893 -10.381 1.00 0.00 C ATOM 1046 C THR A 67 6.503 1.270 -9.135 1.00 0.00 C ATOM 1047 O THR A 67 7.585 1.701 -8.729 1.00 0.00 O ATOM 1048 CB THR A 67 5.471 3.366 -10.148 1.00 0.00 C ATOM 1049 OG1 THR A 67 4.268 3.447 -9.405 1.00 0.00 O ATOM 1050 CG2 THR A 67 5.238 4.097 -11.473 1.00 0.00 C ATOM 0 H THR A 67 3.839 1.415 -10.305 1.00 0.00 H new ATOM 0 HA THR A 67 6.629 1.832 -11.155 1.00 0.00 H new ATOM 0 HB THR A 67 6.295 3.830 -9.605 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.033 4.388 -9.264 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.963 5.133 -11.274 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.151 4.072 -12.068 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.434 3.607 -12.022 1.00 0.00 H new ATOM 1058 N HIS A 68 5.873 0.250 -8.536 1.00 0.00 N ATOM 1059 CA HIS A 68 6.340 -0.367 -7.295 1.00 0.00 C ATOM 1060 C HIS A 68 6.250 -1.896 -7.355 1.00 0.00 C ATOM 1061 O HIS A 68 6.104 -2.568 -6.336 1.00 0.00 O ATOM 1062 CB HIS A 68 5.601 0.268 -6.099 1.00 0.00 C ATOM 1063 CG HIS A 68 6.521 0.710 -4.993 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.640 0.156 -3.738 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.364 1.786 -5.043 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.541 0.877 -3.051 1.00 0.00 C ATOM 1067 NE2 HIS A 68 8.017 1.887 -3.806 1.00 0.00 N ATOM 0 H HIS A 68 5.020 -0.170 -8.905 1.00 0.00 H new ATOM 0 HA HIS A 68 7.402 -0.164 -7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.028 1.127 -6.450 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.885 -0.451 -5.700 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.133 -0.658 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.503 2.444 -5.888 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.843 0.675 -2.034 1.00 0.00 H new ATOM 1075 N VAL A 69 6.348 -2.457 -8.561 1.00 0.00 N ATOM 1076 CA VAL A 69 6.443 -3.901 -8.765 1.00 0.00 C ATOM 1077 C VAL A 69 7.637 -4.416 -7.957 1.00 0.00 C ATOM 1078 O VAL A 69 8.690 -3.770 -7.932 1.00 0.00 O ATOM 1079 CB VAL A 69 6.620 -4.220 -10.264 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.638 -5.730 -10.528 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.502 -3.603 -11.112 1.00 0.00 C ATOM 0 H VAL A 69 6.364 -1.919 -9.427 1.00 0.00 H new ATOM 0 HA VAL A 69 5.529 -4.391 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 69 7.579 -3.787 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.764 -5.911 -11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.465 -6.185 -9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.698 -6.169 -10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.663 -3.850 -12.161 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.539 -3.999 -10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.508 -2.520 -10.989 1.00 0.00 H new ATOM 1091 N GLU A 70 7.503 -5.593 -7.344 1.00 0.00 N ATOM 1092 CA GLU A 70 8.610 -6.245 -6.671 1.00 0.00 C ATOM 1093 C GLU A 70 8.528 -7.741 -6.957 1.00 0.00 C ATOM 1094 O GLU A 70 7.509 -8.385 -6.707 1.00 0.00 O ATOM 1095 CB GLU A 70 8.585 -5.899 -5.174 1.00 0.00 C ATOM 1096 CG GLU A 70 9.858 -6.417 -4.496 1.00 0.00 C ATOM 1097 CD GLU A 70 10.093 -5.778 -3.119 1.00 0.00 C ATOM 1098 OE1 GLU A 70 10.630 -4.649 -3.047 1.00 0.00 O ATOM 1099 OE2 GLU A 70 9.776 -6.423 -2.096 1.00 0.00 O ATOM 0 H GLU A 70 6.626 -6.113 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 70 9.572 -5.892 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.506 -4.820 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.707 -6.342 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.792 -7.499 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.716 -6.215 -5.138 1.00 0.00 H new ATOM 1106 N ASN A 71 9.596 -8.300 -7.525 1.00 0.00 N ATOM 1107 CA ASN A 71 9.687 -9.739 -7.711 1.00 0.00 C ATOM 1108 C ASN A 71 9.994 -10.374 -6.357 1.00 0.00 C ATOM 1109 O ASN A 71 10.926 -9.932 -5.679 1.00 0.00 O ATOM 1110 CB ASN A 71 10.786 -10.077 -8.721 1.00 0.00 C ATOM 1111 CG ASN A 71 10.822 -11.577 -8.935 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.574 -12.293 -8.287 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.961 -12.089 -9.793 1.00 0.00 N ATOM 0 H ASN A 71 10.405 -7.777 -7.861 1.00 0.00 H new ATOM 0 HA ASN A 71 8.746 -10.127 -8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.597 -9.567 -9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.752 -9.726 -8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.913 -13.099 -9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.343 -11.475 -10.323 1.00 0.00 H new ATOM 1120 N ALA A 72 9.245 -11.410 -5.975 1.00 0.00 N ATOM 1121 CA ALA A 72 9.398 -12.087 -4.691 1.00 0.00 C ATOM 1122 C ALA A 72 9.979 -13.499 -4.863 1.00 0.00 C ATOM 1123 O ALA A 72 9.920 -14.304 -3.934 1.00 0.00 O ATOM 1124 CB ALA A 72 8.052 -12.083 -3.956 1.00 0.00 C ATOM 0 H ALA A 72 8.507 -11.805 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 72 10.120 -11.546 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.160 -12.588 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.730 -11.055 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.307 -12.604 -4.558 1.00 0.00 H new ATOM 1130 N GLY A 73 10.549 -13.813 -6.030 1.00 0.00 N ATOM 1131 CA GLY A 73 11.099 -15.125 -6.324 1.00 0.00 C ATOM 1132 C GLY A 73 9.962 -16.120 -6.504 1.00 0.00 C ATOM 1133 O GLY A 73 9.007 -15.849 -7.240 1.00 0.00 O ATOM 0 H GLY A 73 10.639 -13.151 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.707 -15.083 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.754 -15.447 -5.514 1.00 0.00 H new ATOM 1137 N GLY A 74 10.061 -17.271 -5.844 1.00 0.00 N ATOM 1138 CA GLY A 74 9.048 -18.306 -5.896 1.00 0.00 C ATOM 1139 C GLY A 74 9.068 -19.138 -4.625 1.00 0.00 C ATOM 1140 O GLY A 74 9.986 -19.026 -3.805 1.00 0.00 O ATOM 0 H GLY A 74 10.858 -17.508 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.065 -17.854 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.220 -18.948 -6.760 1.00 0.00 H new ATOM 1144 N LEU A 75 8.045 -19.973 -4.453 1.00 0.00 N ATOM 1145 CA LEU A 75 7.770 -20.707 -3.217 1.00 0.00 C ATOM 1146 C LEU A 75 8.951 -21.539 -2.725 1.00 0.00 C ATOM 1147 O LEU A 75 9.036 -21.788 -1.520 1.00 0.00 O ATOM 1148 CB LEU A 75 6.554 -21.630 -3.402 1.00 0.00 C ATOM 1149 CG LEU A 75 5.194 -20.914 -3.426 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.108 -21.940 -3.742 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.858 -20.241 -2.090 1.00 0.00 C ATOM 0 H LEU A 75 7.365 -20.164 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 75 7.569 -19.949 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.674 -22.182 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.547 -22.364 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 75 5.245 -20.134 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.136 -21.447 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.306 -22.392 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.105 -22.715 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.887 -19.751 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.826 -20.993 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.622 -19.500 -1.854 1.00 0.00 H new ATOM 1163 N LYS A 76 9.856 -21.954 -3.620 1.00 0.00 N ATOM 1164 CA LYS A 76 11.040 -22.723 -3.243 1.00 0.00 C ATOM 1165 C LYS A 76 12.005 -21.967 -2.324 1.00 0.00 C ATOM 1166 O LYS A 76 12.826 -22.604 -1.665 1.00 0.00 O ATOM 1167 CB LYS A 76 11.745 -23.294 -4.496 1.00 0.00 C ATOM 1168 CG LYS A 76 12.818 -22.412 -5.173 1.00 0.00 C ATOM 1169 CD LYS A 76 12.320 -21.077 -5.753 1.00 0.00 C ATOM 1170 CE LYS A 76 13.482 -20.183 -6.222 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.156 -20.680 -7.448 1.00 0.00 N ATOM 0 H LYS A 76 9.786 -21.765 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 76 10.686 -23.560 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.212 -24.239 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.980 -23.523 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.600 -22.200 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.279 -22.986 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.652 -21.273 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.738 -20.548 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.104 -19.178 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.216 -20.105 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.026 -20.134 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.396 -21.685 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.519 -20.570 -8.263 1.00 0.00 H new ATOM 1185 N ASP A 77 11.926 -20.634 -2.280 1.00 0.00 N ATOM 1186 CA ASP A 77 12.865 -19.774 -1.556 1.00 0.00 C ATOM 1187 C ASP A 77 12.137 -18.768 -0.658 1.00 0.00 C ATOM 1188 O ASP A 77 12.742 -18.210 0.258 1.00 0.00 O ATOM 1189 CB ASP A 77 13.762 -19.049 -2.568 1.00 0.00 C ATOM 1190 CG ASP A 77 14.790 -18.133 -1.882 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.724 -18.648 -1.227 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.703 -16.894 -2.040 1.00 0.00 O ATOM 0 H ASP A 77 11.191 -20.112 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 77 13.476 -20.397 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.284 -19.784 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.142 -18.457 -3.241 1.00 0.00 H new ATOM 1197 N ILE A 78 10.833 -18.562 -0.875 1.00 0.00 N ATOM 1198 CA ILE A 78 10.004 -17.733 -0.002 1.00 0.00 C ATOM 1199 C ILE A 78 9.937 -18.415 1.371 1.00 0.00 C ATOM 1200 O ILE A 78 9.679 -19.619 1.455 1.00 0.00 O ATOM 1201 CB ILE A 78 8.610 -17.512 -0.643 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.745 -16.582 -1.868 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.603 -16.904 0.351 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.492 -16.501 -2.745 1.00 0.00 C ATOM 0 H ILE A 78 10.326 -18.967 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 78 10.433 -16.740 0.131 1.00 0.00 H new ATOM 0 HB ILE A 78 8.230 -18.488 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.996 -15.580 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.579 -16.926 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.641 -16.767 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.482 -17.574 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.972 -15.939 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.676 -15.826 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.250 -17.493 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.657 -16.126 -2.153 1.00 0.00 H new ATOM 1216 N ALA A 79 10.099 -17.625 2.439 1.00 0.00 N ATOM 1217 CA ALA A 79 10.016 -18.074 3.830 1.00 0.00 C ATOM 1218 C ALA A 79 8.922 -17.325 4.604 1.00 0.00 C ATOM 1219 O ALA A 79 8.954 -17.229 5.833 1.00 0.00 O ATOM 1220 CB ALA A 79 11.402 -17.976 4.485 1.00 0.00 C ATOM 0 H ALA A 79 10.297 -16.628 2.355 1.00 0.00 H new ATOM 0 HA ALA A 79 9.715 -19.121 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.340 -18.310 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.106 -18.606 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.745 -16.942 4.458 1.00 0.00 H new ATOM 1226 N MET A 80 7.955 -16.784 3.863 1.00 0.00 N ATOM 1227 CA MET A 80 6.705 -16.266 4.414 1.00 0.00 C ATOM 1228 C MET A 80 5.866 -17.471 4.875 1.00 0.00 C ATOM 1229 O MET A 80 6.069 -18.571 4.346 1.00 0.00 O ATOM 1230 CB MET A 80 5.935 -15.475 3.342 1.00 0.00 C ATOM 1231 CG MET A 80 6.638 -14.178 2.919 1.00 0.00 C ATOM 1232 SD MET A 80 6.741 -12.887 4.193 1.00 0.00 S ATOM 1233 CE MET A 80 5.015 -12.325 4.229 1.00 0.00 C ATOM 0 H MET A 80 8.020 -16.692 2.849 1.00 0.00 H new ATOM 0 HA MET A 80 6.910 -15.595 5.248 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.796 -16.107 2.465 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.942 -15.234 3.722 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.649 -14.424 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.116 -13.769 2.054 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.921 -11.481 4.913 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.712 -12.017 3.228 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.374 -13.139 4.568 1.00 0.00 H new ATOM 1243 N PRO A 81 4.914 -17.298 5.811 1.00 0.00 N ATOM 1244 CA PRO A 81 3.975 -18.347 6.192 1.00 0.00 C ATOM 1245 C PRO A 81 3.312 -18.976 4.961 1.00 0.00 C ATOM 1246 O PRO A 81 2.677 -18.276 4.165 1.00 0.00 O ATOM 1247 CB PRO A 81 2.958 -17.680 7.127 1.00 0.00 C ATOM 1248 CG PRO A 81 3.742 -16.515 7.725 1.00 0.00 C ATOM 1249 CD PRO A 81 4.653 -16.086 6.576 1.00 0.00 C ATOM 0 HA PRO A 81 4.476 -19.173 6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.078 -17.336 6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.609 -18.367 7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.084 -15.706 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.314 -16.821 8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.173 -15.327 5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.580 -15.652 6.951 1.00 0.00 H new ATOM 1257 N LYS A 82 3.466 -20.291 4.792 1.00 0.00 N ATOM 1258 CA LYS A 82 2.749 -21.034 3.760 1.00 0.00 C ATOM 1259 C LYS A 82 1.367 -21.414 4.287 1.00 0.00 C ATOM 1260 O LYS A 82 1.142 -21.492 5.497 1.00 0.00 O ATOM 1261 CB LYS A 82 3.501 -22.325 3.370 1.00 0.00 C ATOM 1262 CG LYS A 82 4.954 -22.178 2.887 1.00 0.00 C ATOM 1263 CD LYS A 82 5.127 -21.214 1.700 1.00 0.00 C ATOM 1264 CE LYS A 82 6.582 -21.074 1.201 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.166 -22.335 0.680 1.00 0.00 N ATOM 0 H LYS A 82 4.087 -20.865 5.363 1.00 0.00 H new ATOM 0 HA LYS A 82 2.668 -20.399 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.498 -22.990 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.933 -22.821 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.568 -21.829 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.332 -23.160 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.504 -21.558 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.758 -20.230 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.615 -20.319 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.202 -20.709 2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.865 -22.115 -0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.631 -22.848 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.411 -22.926 0.277 1.00 0.00 H new ATOM 1279 N VAL A 83 0.478 -21.739 3.361 1.00 0.00 N ATOM 1280 CA VAL A 83 -0.805 -22.386 3.573 1.00 0.00 C ATOM 1281 C VAL A 83 -0.825 -23.472 2.495 1.00 0.00 C ATOM 1282 O VAL A 83 -0.291 -23.266 1.400 1.00 0.00 O ATOM 1283 CB VAL A 83 -1.955 -21.364 3.450 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.334 -22.028 3.579 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -1.854 -20.277 4.532 1.00 0.00 C ATOM 0 H VAL A 83 0.647 -21.544 2.374 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.939 -22.812 4.568 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.856 -20.922 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.113 -21.271 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.455 -22.771 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.414 -22.514 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.678 -19.573 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.905 -20.739 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.907 -19.747 4.428 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.372 -24.648 2.805 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.261 -25.829 1.953 1.00 0.00 C ATOM 1297 C LYS A 84 -2.613 -26.528 1.861 1.00 0.00 C ATOM 1298 O LYS A 84 -3.435 -26.418 2.776 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.173 -26.774 2.498 1.00 0.00 C ATOM 1300 CG LYS A 84 1.252 -26.194 2.383 1.00 0.00 C ATOM 1301 CD LYS A 84 2.340 -27.187 2.822 1.00 0.00 C ATOM 1302 CE LYS A 84 2.253 -27.520 4.320 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.336 -28.439 4.752 1.00 0.00 N ATOM 0 H LYS A 84 -1.907 -24.807 3.659 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.967 -25.527 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.384 -26.995 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.218 -27.719 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.435 -25.896 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.322 -25.293 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.247 -28.105 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.322 -26.768 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.308 -26.598 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.286 -27.974 4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.239 -28.637 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.269 -29.329 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.260 -27.996 4.572 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.815 -27.268 0.769 1.00 0.00 N ATOM 1318 CA GLY A 85 -4.105 -27.832 0.400 1.00 0.00 C ATOM 1319 C GLY A 85 -5.161 -26.731 0.353 1.00 0.00 C ATOM 1320 O GLY A 85 -6.284 -26.968 0.844 1.00 0.00 O ATOM 1321 OXT GLY A 85 -4.867 -25.638 -0.174 1.00 0.00 O ATOM 0 H GLY A 85 -2.071 -27.493 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.033 -28.320 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.396 -28.597 1.120 1.00 0.00 H new TER 1325 GLY A 85