USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 671 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 4 THR OG1 : rot 180:sc= 0.944 USER MOD Set 1.2: A 7 GLN : amide:sc= -2.38! C(o=0.39!,f=-1.1!) USER MOD Set 1.3: A 37 ASN : amide:sc= 0.26 K(o=0.39,f=-3.1) USER MOD Set 1.4: A 40 GLN : amide:sc= 1.57 K(o=0.39,f=-3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.808 (180deg=0.0377) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00428 USER MOD Single : A 13 ASN : amide:sc= 0.682 K(o=0.68,f=-7.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-7.1e-05) USER MOD Single : A 30 SER OG : rot 57:sc= 1.25 USER MOD Single : A 44 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.16) USER MOD Single : A 45 SER OG : rot 24:sc= 1.15 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= -0.109 (180deg=-0.168) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc=-0.00596 X(o=-0.006,f=-0.079) USER MOD Single : A 56 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.0078) USER MOD Single : A 59 TYR OH : rot 120:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.86! C(o=-3.9!,f=-11!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.896 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0619 K(o=-0.062,f=-0.64) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -1:sc= 0.374 USER MOD Single : A 85 SER OG : rot 12:sc= 0.0102 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.950 21.262 8.116 1.00 0.00 N ATOM 2 CA MET A 1 -18.887 22.416 8.104 1.00 0.00 C ATOM 3 C MET A 1 -20.392 22.096 7.896 1.00 0.00 C ATOM 4 O MET A 1 -21.195 22.964 7.552 1.00 0.00 O ATOM 5 CB MET A 1 -18.389 23.477 7.103 1.00 0.00 C ATOM 6 CG MET A 1 -18.432 23.081 5.620 1.00 0.00 C ATOM 7 SD MET A 1 -17.248 21.776 5.122 1.00 0.00 S ATOM 8 CE MET A 1 -17.670 21.624 3.401 1.00 0.00 C ATOM 0 H1 MET A 1 -17.106 21.506 8.673 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.420 20.438 8.542 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.668 21.034 7.141 1.00 0.00 H new ATOM 0 HA MET A 1 -18.866 22.802 9.123 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.986 24.379 7.234 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.361 23.735 7.359 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.440 22.744 5.380 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.242 23.970 5.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.040 20.865 2.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.716 21.334 3.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.513 22.580 2.902 1.00 0.00 H new ATOM 20 N GLY A 2 -20.764 20.861 8.259 1.00 0.00 N ATOM 21 CA GLY A 2 -22.128 20.326 8.089 1.00 0.00 C ATOM 22 C GLY A 2 -22.066 18.870 7.614 1.00 0.00 C ATOM 23 O GLY A 2 -21.146 18.149 8.001 1.00 0.00 O ATOM 0 H GLY A 2 -20.120 20.194 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.671 20.386 9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.677 20.930 7.366 1.00 0.00 H new ATOM 27 N VAL A 3 -23.107 18.468 6.885 1.00 0.00 N ATOM 28 CA VAL A 3 -23.309 17.132 6.266 1.00 0.00 C ATOM 29 C VAL A 3 -22.034 16.291 6.009 1.00 0.00 C ATOM 30 O VAL A 3 -21.364 16.387 4.983 1.00 0.00 O ATOM 31 CB VAL A 3 -24.254 17.277 5.050 1.00 0.00 C ATOM 32 CG1 VAL A 3 -23.695 18.142 3.911 1.00 0.00 C ATOM 33 CG2 VAL A 3 -24.754 15.920 4.541 1.00 0.00 C ATOM 0 H VAL A 3 -23.887 19.096 6.691 1.00 0.00 H new ATOM 0 HA VAL A 3 -23.795 16.505 7.013 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.114 17.828 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.422 18.190 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -23.498 19.148 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -22.768 17.703 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.414 16.072 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -23.904 15.309 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.300 15.412 5.336 1.00 0.00 H new ATOM 43 N THR A 4 -21.714 15.510 7.036 1.00 0.00 N ATOM 44 CA THR A 4 -20.493 14.670 7.100 1.00 0.00 C ATOM 45 C THR A 4 -20.758 13.151 7.146 1.00 0.00 C ATOM 46 O THR A 4 -19.983 12.354 6.616 1.00 0.00 O ATOM 47 CB THR A 4 -19.603 15.131 8.278 1.00 0.00 C ATOM 48 OG1 THR A 4 -18.399 14.364 8.310 1.00 0.00 O ATOM 49 CG2 THR A 4 -20.294 15.088 9.649 1.00 0.00 C ATOM 0 H THR A 4 -22.298 15.432 7.869 1.00 0.00 H new ATOM 0 HA THR A 4 -19.965 14.821 6.158 1.00 0.00 H new ATOM 0 HB THR A 4 -19.381 16.182 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.841 14.663 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.599 15.427 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.168 15.740 9.637 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.606 14.067 9.867 1.00 0.00 H new ATOM 57 N GLU A 5 -21.939 12.792 7.643 1.00 0.00 N ATOM 58 CA GLU A 5 -22.301 11.395 7.948 1.00 0.00 C ATOM 59 C GLU A 5 -23.599 10.958 7.242 1.00 0.00 C ATOM 60 O GLU A 5 -24.276 11.786 6.637 1.00 0.00 O ATOM 61 CB GLU A 5 -22.324 11.183 9.475 1.00 0.00 C ATOM 62 CG GLU A 5 -23.181 12.135 10.324 1.00 0.00 C ATOM 63 CD GLU A 5 -24.669 12.108 9.964 1.00 0.00 C ATOM 64 OE1 GLU A 5 -25.341 11.139 10.372 1.00 0.00 O ATOM 65 OE2 GLU A 5 -25.080 13.062 9.270 1.00 0.00 O ATOM 0 H GLU A 5 -22.682 13.460 7.849 1.00 0.00 H new ATOM 0 HA GLU A 5 -21.534 10.736 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.667 10.166 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.298 11.246 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.066 11.873 11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.806 13.151 10.205 1.00 0.00 H new ATOM 72 N ALA A 6 -23.974 9.693 7.446 1.00 0.00 N ATOM 73 CA ALA A 6 -25.119 9.005 6.806 1.00 0.00 C ATOM 74 C ALA A 6 -25.211 9.169 5.276 1.00 0.00 C ATOM 75 O ALA A 6 -26.025 9.905 4.721 1.00 0.00 O ATOM 76 CB ALA A 6 -26.425 9.372 7.527 1.00 0.00 C ATOM 0 H ALA A 6 -23.470 9.084 8.091 1.00 0.00 H new ATOM 0 HA ALA A 6 -24.939 7.937 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.261 8.861 7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.362 9.066 8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.580 10.450 7.473 1.00 0.00 H new ATOM 82 N GLN A 7 -24.279 8.485 4.614 1.00 0.00 N ATOM 83 CA GLN A 7 -24.207 8.425 3.140 1.00 0.00 C ATOM 84 C GLN A 7 -25.225 7.438 2.527 1.00 0.00 C ATOM 85 O GLN A 7 -26.123 7.859 1.807 1.00 0.00 O ATOM 86 CB GLN A 7 -22.750 8.172 2.722 1.00 0.00 C ATOM 87 CG GLN A 7 -22.514 8.435 1.229 1.00 0.00 C ATOM 88 CD GLN A 7 -21.030 8.401 0.850 1.00 0.00 C ATOM 89 OE1 GLN A 7 -20.166 9.009 1.465 1.00 0.00 O ATOM 90 NE2 GLN A 7 -20.737 7.810 -0.288 1.00 0.00 N ATOM 0 H GLN A 7 -23.545 7.951 5.080 1.00 0.00 H new ATOM 0 HA GLN A 7 -24.510 9.386 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -22.091 8.811 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.483 7.141 2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -23.051 7.689 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -22.930 9.407 0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -21.459 7.303 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -19.788 7.859 -0.658 1.00 0.00 H new ATOM 99 N TYR A 8 -24.943 6.136 2.635 1.00 0.00 N ATOM 100 CA TYR A 8 -25.866 5.082 2.149 1.00 0.00 C ATOM 101 C TYR A 8 -26.346 4.066 3.206 1.00 0.00 C ATOM 102 O TYR A 8 -27.517 3.705 3.232 1.00 0.00 O ATOM 103 CB TYR A 8 -25.225 4.356 0.955 1.00 0.00 C ATOM 104 CG TYR A 8 -26.171 3.383 0.237 1.00 0.00 C ATOM 105 CD1 TYR A 8 -27.467 3.760 -0.104 1.00 0.00 C ATOM 106 CD2 TYR A 8 -25.748 2.084 -0.017 1.00 0.00 C ATOM 107 CE1 TYR A 8 -28.333 2.843 -0.685 1.00 0.00 C ATOM 108 CE2 TYR A 8 -26.611 1.165 -0.599 1.00 0.00 C ATOM 109 CZ TYR A 8 -27.906 1.545 -0.930 1.00 0.00 C ATOM 110 OH TYR A 8 -28.753 0.663 -1.518 1.00 0.00 O ATOM 0 H TYR A 8 -24.085 5.777 3.054 1.00 0.00 H new ATOM 0 HA TYR A 8 -26.775 5.606 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -24.871 5.098 0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.351 3.806 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -27.800 4.770 0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -24.742 1.787 0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -29.338 3.139 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.276 0.157 -0.794 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.304 -0.202 -1.622 1.00 0.00 H new ATOM 120 N VAL A 9 -25.407 3.588 4.026 1.00 0.00 N ATOM 121 CA VAL A 9 -25.604 2.582 5.104 1.00 0.00 C ATOM 122 C VAL A 9 -26.384 1.321 4.656 1.00 0.00 C ATOM 123 O VAL A 9 -27.581 1.180 4.895 1.00 0.00 O ATOM 124 CB VAL A 9 -26.235 3.206 6.377 1.00 0.00 C ATOM 125 CG1 VAL A 9 -26.103 2.263 7.579 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.659 4.574 6.763 1.00 0.00 C ATOM 0 H VAL A 9 -24.438 3.899 3.964 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.599 2.241 5.354 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.283 3.357 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.554 2.727 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.613 1.324 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -25.049 2.067 7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.156 4.937 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.590 4.478 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -25.822 5.280 5.949 1.00 0.00 H new ATOM 136 N ALA A 10 -25.662 0.382 4.042 1.00 0.00 N ATOM 137 CA ALA A 10 -26.204 -0.954 3.715 1.00 0.00 C ATOM 138 C ALA A 10 -25.312 -2.088 4.268 1.00 0.00 C ATOM 139 O ALA A 10 -24.320 -2.452 3.628 1.00 0.00 O ATOM 140 CB ALA A 10 -26.409 -1.075 2.199 1.00 0.00 C ATOM 0 H ALA A 10 -24.692 0.516 3.756 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.172 -1.063 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.809 -2.061 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.110 -0.310 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.454 -0.939 1.691 1.00 0.00 H new ATOM 146 N PRO A 11 -25.549 -2.525 5.517 1.00 0.00 N ATOM 147 CA PRO A 11 -24.764 -3.602 6.155 1.00 0.00 C ATOM 148 C PRO A 11 -25.005 -4.972 5.507 1.00 0.00 C ATOM 149 O PRO A 11 -26.004 -5.182 4.822 1.00 0.00 O ATOM 150 CB PRO A 11 -25.181 -3.569 7.628 1.00 0.00 C ATOM 151 CG PRO A 11 -26.614 -3.043 7.581 1.00 0.00 C ATOM 152 CD PRO A 11 -26.588 -2.024 6.440 1.00 0.00 C ATOM 0 HA PRO A 11 -23.692 -3.443 6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -25.131 -4.559 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.533 -2.917 8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.328 -3.843 7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.902 -2.580 8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.558 -1.957 5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.346 -1.026 6.805 1.00 0.00 H new ATOM 160 N THR A 12 -23.967 -5.803 5.560 1.00 0.00 N ATOM 161 CA THR A 12 -24.027 -7.177 5.013 1.00 0.00 C ATOM 162 C THR A 12 -23.704 -8.216 6.104 1.00 0.00 C ATOM 163 O THR A 12 -24.604 -8.704 6.781 1.00 0.00 O ATOM 164 CB THR A 12 -23.101 -7.360 3.794 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.973 -6.139 3.059 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.625 -8.465 2.874 1.00 0.00 C ATOM 0 H THR A 12 -23.068 -5.558 5.975 1.00 0.00 H new ATOM 0 HA THR A 12 -25.048 -7.339 4.669 1.00 0.00 H new ATOM 0 HB THR A 12 -22.118 -7.648 4.167 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.380 -6.280 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.956 -8.576 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.671 -9.405 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.622 -8.202 2.521 1.00 0.00 H new ATOM 174 N ASN A 13 -22.413 -8.472 6.320 1.00 0.00 N ATOM 175 CA ASN A 13 -21.929 -9.450 7.315 1.00 0.00 C ATOM 176 C ASN A 13 -21.248 -8.750 8.506 1.00 0.00 C ATOM 177 O ASN A 13 -21.084 -7.526 8.506 1.00 0.00 O ATOM 178 CB ASN A 13 -20.971 -10.432 6.610 1.00 0.00 C ATOM 179 CG ASN A 13 -19.608 -9.852 6.203 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.365 -8.652 6.188 1.00 0.00 O ATOM 181 ND2 ASN A 13 -18.643 -10.722 6.011 1.00 0.00 N ATOM 0 H ASN A 13 -21.663 -8.007 5.809 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.774 -10.002 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.801 -11.283 7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.464 -10.815 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.689 -10.398 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.847 -11.721 6.024 1.00 0.00 H new ATOM 188 N ALA A 14 -20.741 -9.560 9.439 1.00 0.00 N ATOM 189 CA ALA A 14 -19.962 -9.092 10.605 1.00 0.00 C ATOM 190 C ALA A 14 -18.831 -8.111 10.245 1.00 0.00 C ATOM 191 O ALA A 14 -18.857 -6.981 10.723 1.00 0.00 O ATOM 192 CB ALA A 14 -19.395 -10.298 11.361 1.00 0.00 C ATOM 0 H ALA A 14 -20.857 -10.573 9.412 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.653 -8.534 11.238 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.821 -9.952 12.220 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.214 -10.931 11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.746 -10.871 10.698 1.00 0.00 H new ATOM 198 N VAL A 15 -18.063 -8.438 9.200 1.00 0.00 N ATOM 199 CA VAL A 15 -16.963 -7.590 8.680 1.00 0.00 C ATOM 200 C VAL A 15 -17.499 -6.199 8.281 1.00 0.00 C ATOM 201 O VAL A 15 -17.207 -5.218 8.961 1.00 0.00 O ATOM 202 CB VAL A 15 -16.225 -8.291 7.516 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.061 -7.455 6.969 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.672 -9.654 7.947 1.00 0.00 C ATOM 0 H VAL A 15 -18.182 -9.307 8.679 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.229 -7.442 9.472 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.970 -8.418 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.578 -7.994 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.440 -6.502 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.337 -7.275 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.159 -10.121 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.970 -9.518 8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.493 -10.294 8.272 1.00 0.00 H new ATOM 214 N GLU A 16 -18.458 -6.194 7.353 1.00 0.00 N ATOM 215 CA GLU A 16 -19.151 -4.974 6.876 1.00 0.00 C ATOM 216 C GLU A 16 -19.700 -4.116 8.030 1.00 0.00 C ATOM 217 O GLU A 16 -19.206 -3.013 8.264 1.00 0.00 O ATOM 218 CB GLU A 16 -20.304 -5.356 5.936 1.00 0.00 C ATOM 219 CG GLU A 16 -19.860 -5.854 4.555 1.00 0.00 C ATOM 220 CD GLU A 16 -19.436 -4.751 3.577 1.00 0.00 C ATOM 221 OE1 GLU A 16 -19.984 -3.630 3.671 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.592 -5.074 2.718 1.00 0.00 O ATOM 0 H GLU A 16 -18.787 -7.046 6.899 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.410 -4.378 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.903 -6.132 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.952 -4.489 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.027 -6.545 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.677 -6.421 4.109 1.00 0.00 H new ATOM 229 N SER A 17 -20.524 -4.750 8.864 1.00 0.00 N ATOM 230 CA SER A 17 -21.239 -4.097 9.980 1.00 0.00 C ATOM 231 C SER A 17 -20.306 -3.576 11.086 1.00 0.00 C ATOM 232 O SER A 17 -20.168 -2.364 11.240 1.00 0.00 O ATOM 233 CB SER A 17 -22.292 -5.050 10.560 1.00 0.00 C ATOM 234 OG SER A 17 -23.083 -4.362 11.532 1.00 0.00 O ATOM 0 H SER A 17 -20.722 -5.748 8.789 1.00 0.00 H new ATOM 0 HA SER A 17 -21.730 -3.217 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.930 -5.431 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.804 -5.911 11.017 1.00 0.00 H new ATOM 0 HG SER A 17 -23.755 -4.973 11.899 1.00 0.00 H new ATOM 240 N LYS A 18 -19.508 -4.469 11.670 1.00 0.00 N ATOM 241 CA LYS A 18 -18.628 -4.156 12.815 1.00 0.00 C ATOM 242 C LYS A 18 -17.494 -3.177 12.459 1.00 0.00 C ATOM 243 O LYS A 18 -17.199 -2.271 13.240 1.00 0.00 O ATOM 244 CB LYS A 18 -18.091 -5.465 13.402 1.00 0.00 C ATOM 245 CG LYS A 18 -17.666 -5.315 14.868 1.00 0.00 C ATOM 246 CD LYS A 18 -17.443 -6.679 15.534 1.00 0.00 C ATOM 247 CE LYS A 18 -16.143 -7.379 15.116 1.00 0.00 C ATOM 248 NZ LYS A 18 -14.970 -6.753 15.743 1.00 0.00 N ATOM 0 H LYS A 18 -19.447 -5.441 11.365 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.221 -3.636 13.567 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.857 -6.236 13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.239 -5.803 12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.749 -4.728 14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.431 -4.763 15.415 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.439 -6.546 16.616 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.285 -7.329 15.296 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.189 -8.431 15.396 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.041 -7.342 14.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.109 -7.260 15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.904 -5.760 15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.065 -6.796 16.778 1.00 0.00 H new ATOM 262 N LEU A 19 -16.947 -3.296 11.248 1.00 0.00 N ATOM 263 CA LEU A 19 -15.990 -2.300 10.726 1.00 0.00 C ATOM 264 C LEU A 19 -16.640 -0.930 10.478 1.00 0.00 C ATOM 265 O LEU A 19 -16.160 0.059 11.024 1.00 0.00 O ATOM 266 CB LEU A 19 -15.260 -2.796 9.472 1.00 0.00 C ATOM 267 CG LEU A 19 -13.981 -3.635 9.651 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.854 -2.809 10.275 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.212 -4.940 10.419 1.00 0.00 C ATOM 0 H LEU A 19 -17.144 -4.065 10.608 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.244 -2.167 11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.966 -3.388 8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.003 -1.924 8.871 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.671 -3.929 8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.966 -3.431 10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.624 -1.961 9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.168 -2.445 11.253 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.270 -5.481 10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.597 -4.714 11.414 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.934 -5.555 9.882 1.00 0.00 H new ATOM 281 N ALA A 20 -17.816 -0.896 9.843 1.00 0.00 N ATOM 282 CA ALA A 20 -18.604 0.352 9.690 1.00 0.00 C ATOM 283 C ALA A 20 -18.980 0.984 11.045 1.00 0.00 C ATOM 284 O ALA A 20 -18.908 2.203 11.209 1.00 0.00 O ATOM 285 CB ALA A 20 -19.865 0.093 8.861 1.00 0.00 C ATOM 0 H ALA A 20 -18.252 -1.716 9.422 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.967 1.065 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.430 1.019 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.583 -0.270 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.481 -0.655 9.360 1.00 0.00 H new ATOM 291 N GLU A 21 -19.292 0.124 12.014 1.00 0.00 N ATOM 292 CA GLU A 21 -19.490 0.470 13.436 1.00 0.00 C ATOM 293 C GLU A 21 -18.247 1.172 14.018 1.00 0.00 C ATOM 294 O GLU A 21 -18.335 2.343 14.390 1.00 0.00 O ATOM 295 CB GLU A 21 -19.830 -0.812 14.208 1.00 0.00 C ATOM 296 CG GLU A 21 -20.151 -0.587 15.691 1.00 0.00 C ATOM 297 CD GLU A 21 -20.193 -1.895 16.493 1.00 0.00 C ATOM 298 OE1 GLU A 21 -20.705 -2.906 15.961 1.00 0.00 O ATOM 299 OE2 GLU A 21 -19.721 -1.846 17.650 1.00 0.00 O ATOM 0 H GLU A 21 -19.420 -0.871 11.832 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.316 1.175 13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.684 -1.294 13.732 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.991 -1.503 14.130 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.402 0.076 16.124 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.113 -0.081 15.778 1.00 0.00 H new ATOM 306 N ILE A 22 -17.093 0.502 13.975 1.00 0.00 N ATOM 307 CA ILE A 22 -15.835 1.098 14.479 1.00 0.00 C ATOM 308 C ILE A 22 -15.440 2.379 13.728 1.00 0.00 C ATOM 309 O ILE A 22 -15.206 3.390 14.384 1.00 0.00 O ATOM 310 CB ILE A 22 -14.664 0.103 14.655 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.160 -0.583 13.379 1.00 0.00 C ATOM 312 CG2 ILE A 22 -15.007 -0.936 15.725 1.00 0.00 C ATOM 313 CD1 ILE A 22 -13.080 0.227 12.654 1.00 0.00 C ATOM 0 H ILE A 22 -16.994 -0.443 13.603 1.00 0.00 H new ATOM 0 HA ILE A 22 -16.070 1.401 15.500 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.826 0.723 14.972 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.761 -1.565 13.634 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.000 -0.745 12.704 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.174 -1.630 15.839 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.192 -0.433 16.674 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.899 -1.486 15.425 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.763 -0.309 11.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.483 1.199 12.371 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.225 0.367 13.315 1.00 0.00 H new ATOM 325 N TRP A 23 -15.657 2.403 12.411 1.00 0.00 N ATOM 326 CA TRP A 23 -15.482 3.611 11.577 1.00 0.00 C ATOM 327 C TRP A 23 -16.318 4.795 12.085 1.00 0.00 C ATOM 328 O TRP A 23 -15.754 5.735 12.643 1.00 0.00 O ATOM 329 CB TRP A 23 -15.798 3.329 10.099 1.00 0.00 C ATOM 330 CG TRP A 23 -14.759 2.456 9.388 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.037 1.388 8.641 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.382 2.491 9.552 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.914 0.724 8.369 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.884 1.362 8.922 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.518 3.393 10.164 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.521 1.104 8.940 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.153 3.142 10.171 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.659 1.987 9.577 1.00 0.00 C ATOM 0 H TRP A 23 -15.961 1.585 11.883 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.431 3.889 11.657 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.771 2.841 10.034 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.881 4.278 9.570 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.024 1.103 8.306 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.853 -0.136 7.824 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.908 4.285 10.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.131 0.219 8.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.476 3.843 10.637 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.601 1.775 9.611 1.00 0.00 H new ATOM 349 N GLU A 24 -17.636 4.605 12.144 1.00 0.00 N ATOM 350 CA GLU A 24 -18.582 5.648 12.593 1.00 0.00 C ATOM 351 C GLU A 24 -18.406 6.121 14.048 1.00 0.00 C ATOM 352 O GLU A 24 -18.816 7.236 14.376 1.00 0.00 O ATOM 353 CB GLU A 24 -20.029 5.235 12.288 1.00 0.00 C ATOM 354 CG GLU A 24 -20.614 4.070 13.098 1.00 0.00 C ATOM 355 CD GLU A 24 -21.784 3.368 12.393 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.398 3.988 11.494 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.020 2.190 12.744 1.00 0.00 O ATOM 0 H GLU A 24 -18.086 3.727 11.884 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.333 6.533 12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.667 6.105 12.440 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.090 4.975 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.827 3.342 13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.952 4.442 14.065 1.00 0.00 H new ATOM 364 N ARG A 25 -17.933 5.217 14.907 1.00 0.00 N ATOM 365 CA ARG A 25 -17.569 5.518 16.306 1.00 0.00 C ATOM 366 C ARG A 25 -16.223 6.266 16.414 1.00 0.00 C ATOM 367 O ARG A 25 -16.196 7.414 16.856 1.00 0.00 O ATOM 368 CB ARG A 25 -17.615 4.205 17.106 1.00 0.00 C ATOM 369 CG ARG A 25 -17.451 4.376 18.620 1.00 0.00 C ATOM 370 CD ARG A 25 -15.980 4.343 19.042 1.00 0.00 C ATOM 371 NE ARG A 25 -15.840 4.803 20.432 1.00 0.00 N ATOM 372 CZ ARG A 25 -14.971 4.353 21.339 1.00 0.00 C ATOM 373 NH1 ARG A 25 -14.234 3.267 21.144 1.00 0.00 N ATOM 374 NH2 ARG A 25 -14.916 4.927 22.532 1.00 0.00 N ATOM 0 H ARG A 25 -17.787 4.240 14.654 1.00 0.00 H new ATOM 0 HA ARG A 25 -18.290 6.212 16.739 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -18.565 3.708 16.910 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.829 3.544 16.741 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.896 5.322 18.929 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.995 3.584 19.136 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -15.589 3.330 18.945 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.390 4.977 18.380 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.473 5.543 20.734 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.320 2.742 20.274 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.581 2.958 21.864 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.535 5.707 22.752 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.254 4.589 23.231 1.00 0.00 H new ATOM 388 N VAL A 26 -15.152 5.662 15.896 1.00 0.00 N ATOM 389 CA VAL A 26 -13.766 6.185 15.963 1.00 0.00 C ATOM 390 C VAL A 26 -13.609 7.541 15.241 1.00 0.00 C ATOM 391 O VAL A 26 -12.922 8.426 15.745 1.00 0.00 O ATOM 392 CB VAL A 26 -12.770 5.108 15.467 1.00 0.00 C ATOM 393 CG1 VAL A 26 -11.318 5.595 15.389 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.791 3.886 16.393 1.00 0.00 C ATOM 0 H VAL A 26 -15.215 4.771 15.403 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.529 6.398 17.005 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.104 4.859 14.460 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.681 4.785 15.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.253 6.437 14.699 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.986 5.910 16.378 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.085 3.141 16.028 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.510 4.189 17.402 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.794 3.459 16.409 1.00 0.00 H new ATOM 404 N LEU A 27 -14.329 7.713 14.132 1.00 0.00 N ATOM 405 CA LEU A 27 -14.414 8.982 13.374 1.00 0.00 C ATOM 406 C LEU A 27 -14.960 10.172 14.195 1.00 0.00 C ATOM 407 O LEU A 27 -14.704 11.328 13.861 1.00 0.00 O ATOM 408 CB LEU A 27 -15.303 8.731 12.149 1.00 0.00 C ATOM 409 CG LEU A 27 -15.250 9.815 11.066 1.00 0.00 C ATOM 410 CD1 LEU A 27 -13.888 9.837 10.364 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.375 9.575 10.059 1.00 0.00 C ATOM 0 H LEU A 27 -14.885 6.964 13.719 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.402 9.272 13.091 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.016 7.780 11.701 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.335 8.627 12.485 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.386 10.789 11.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.884 10.617 9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.105 10.040 11.095 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.705 8.870 9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.342 10.343 9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.250 8.594 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.336 9.616 10.571 1.00 0.00 H new ATOM 423 N GLY A 28 -15.681 9.848 15.277 1.00 0.00 N ATOM 424 CA GLY A 28 -16.370 10.822 16.146 1.00 0.00 C ATOM 425 C GLY A 28 -17.872 10.518 16.192 1.00 0.00 C ATOM 426 O GLY A 28 -18.666 11.205 15.555 1.00 0.00 O ATOM 0 H GLY A 28 -15.806 8.883 15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.952 10.783 17.152 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.207 11.833 15.773 1.00 0.00 H new ATOM 430 N VAL A 29 -18.181 9.424 16.891 1.00 0.00 N ATOM 431 CA VAL A 29 -19.515 8.806 17.098 1.00 0.00 C ATOM 432 C VAL A 29 -20.705 9.503 16.401 1.00 0.00 C ATOM 433 O VAL A 29 -21.483 10.256 16.985 1.00 0.00 O ATOM 434 CB VAL A 29 -19.695 8.490 18.602 1.00 0.00 C ATOM 435 CG1 VAL A 29 -19.755 9.726 19.509 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.866 7.533 18.848 1.00 0.00 C ATOM 0 H VAL A 29 -17.453 8.895 17.371 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.532 7.861 16.554 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.779 7.977 18.896 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.882 9.411 20.545 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.829 10.293 19.413 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -20.596 10.353 19.214 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.958 7.337 19.916 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.788 7.984 18.481 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -20.687 6.596 18.321 1.00 0.00 H new ATOM 446 N SER A 30 -20.802 9.183 15.114 1.00 0.00 N ATOM 447 CA SER A 30 -21.750 9.827 14.178 1.00 0.00 C ATOM 448 C SER A 30 -22.767 8.877 13.523 1.00 0.00 C ATOM 449 O SER A 30 -23.951 8.929 13.847 1.00 0.00 O ATOM 450 CB SER A 30 -20.998 10.628 13.107 1.00 0.00 C ATOM 451 OG SER A 30 -20.438 11.827 13.648 1.00 0.00 O ATOM 0 H SER A 30 -20.225 8.465 14.677 1.00 0.00 H new ATOM 0 HA SER A 30 -22.344 10.498 14.799 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.204 10.014 12.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.678 10.878 12.293 1.00 0.00 H new ATOM 0 HG SER A 30 -19.851 11.603 14.400 1.00 0.00 H new ATOM 457 N GLY A 31 -22.284 8.015 12.614 1.00 0.00 N ATOM 458 CA GLY A 31 -23.150 7.113 11.823 1.00 0.00 C ATOM 459 C GLY A 31 -22.928 7.318 10.319 1.00 0.00 C ATOM 460 O GLY A 31 -23.400 8.291 9.740 1.00 0.00 O ATOM 0 H GLY A 31 -21.290 7.920 12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.940 6.077 12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -24.196 7.299 12.069 1.00 0.00 H new ATOM 464 N ILE A 32 -22.175 6.406 9.710 1.00 0.00 N ATOM 465 CA ILE A 32 -21.726 6.560 8.305 1.00 0.00 C ATOM 466 C ILE A 32 -22.099 5.377 7.396 1.00 0.00 C ATOM 467 O ILE A 32 -22.451 4.295 7.865 1.00 0.00 O ATOM 468 CB ILE A 32 -20.220 6.866 8.165 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.338 5.765 8.777 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.911 8.271 8.702 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.891 5.805 8.281 1.00 0.00 C ATOM 0 H ILE A 32 -21.856 5.547 10.158 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.283 7.432 7.962 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.966 6.865 7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.346 5.864 9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.769 4.792 8.543 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.845 8.474 8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.479 9.010 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.190 8.328 9.754 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.323 5.002 8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.874 5.676 7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.444 6.765 8.539 1.00 0.00 H new ATOM 483 N GLY A 33 -21.937 5.615 6.088 1.00 0.00 N ATOM 484 CA GLY A 33 -22.237 4.610 5.049 1.00 0.00 C ATOM 485 C GLY A 33 -21.223 3.457 5.022 1.00 0.00 C ATOM 486 O GLY A 33 -20.117 3.554 5.548 1.00 0.00 O ATOM 0 H GLY A 33 -21.597 6.502 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.235 4.206 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.252 5.097 4.074 1.00 0.00 H new ATOM 490 N ILE A 34 -21.669 2.338 4.463 1.00 0.00 N ATOM 491 CA ILE A 34 -20.764 1.242 4.041 1.00 0.00 C ATOM 492 C ILE A 34 -19.691 1.722 3.036 1.00 0.00 C ATOM 493 O ILE A 34 -18.509 1.453 3.224 1.00 0.00 O ATOM 494 CB ILE A 34 -21.642 0.030 3.640 1.00 0.00 C ATOM 495 CG1 ILE A 34 -21.868 -0.888 4.853 1.00 0.00 C ATOM 496 CG2 ILE A 34 -21.141 -0.797 2.449 1.00 0.00 C ATOM 497 CD1 ILE A 34 -22.714 -0.296 5.986 1.00 0.00 C ATOM 0 H ILE A 34 -22.656 2.152 4.285 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.132 0.892 4.857 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.578 0.474 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -22.347 -1.804 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.896 -1.169 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.833 -1.617 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -21.080 -0.162 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.154 -1.200 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.810 -1.027 6.789 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -22.231 0.603 6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -23.704 -0.042 5.607 1.00 0.00 H new ATOM 509 N LEU A 35 -20.112 2.573 2.097 1.00 0.00 N ATOM 510 CA LEU A 35 -19.218 3.426 1.277 1.00 0.00 C ATOM 511 C LEU A 35 -18.500 4.554 2.050 1.00 0.00 C ATOM 512 O LEU A 35 -17.905 5.461 1.464 1.00 0.00 O ATOM 513 CB LEU A 35 -20.052 4.034 0.141 1.00 0.00 C ATOM 514 CG LEU A 35 -19.925 3.261 -1.174 1.00 0.00 C ATOM 515 CD1 LEU A 35 -21.099 3.613 -2.089 1.00 0.00 C ATOM 516 CD2 LEU A 35 -18.620 3.631 -1.887 1.00 0.00 C ATOM 0 H LEU A 35 -21.099 2.698 1.874 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.420 2.780 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.100 4.060 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.740 5.066 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.926 2.194 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.008 3.062 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -22.035 3.345 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -21.091 4.683 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -18.544 3.073 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.613 4.700 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.773 3.384 -1.247 1.00 0.00 H new ATOM 528 N ASP A 36 -18.541 4.459 3.381 1.00 0.00 N ATOM 529 CA ASP A 36 -17.996 5.439 4.341 1.00 0.00 C ATOM 530 C ASP A 36 -18.499 6.858 4.003 1.00 0.00 C ATOM 531 O ASP A 36 -19.713 7.053 3.949 1.00 0.00 O ATOM 532 CB ASP A 36 -16.470 5.241 4.396 1.00 0.00 C ATOM 533 CG ASP A 36 -16.095 3.888 5.011 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.036 2.896 4.248 1.00 0.00 O ATOM 535 OD2 ASP A 36 -15.947 3.861 6.250 1.00 0.00 O ATOM 0 H ASP A 36 -18.974 3.662 3.847 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.357 5.284 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.058 5.310 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.020 6.044 4.980 1.00 0.00 H new ATOM 540 N ASN A 37 -17.615 7.843 4.137 1.00 0.00 N ATOM 541 CA ASN A 37 -17.709 9.104 3.379 1.00 0.00 C ATOM 542 C ASN A 37 -16.502 9.270 2.424 1.00 0.00 C ATOM 543 O ASN A 37 -16.186 10.372 1.984 1.00 0.00 O ATOM 544 CB ASN A 37 -17.842 10.248 4.398 1.00 0.00 C ATOM 545 CG ASN A 37 -17.925 11.653 3.790 1.00 0.00 C ATOM 546 OD1 ASN A 37 -17.066 12.491 4.033 1.00 0.00 O ATOM 547 ND2 ASN A 37 -18.862 11.887 2.897 1.00 0.00 N ATOM 0 H ASN A 37 -16.815 7.798 4.768 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.585 9.109 2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.734 10.076 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.989 10.212 5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.879 12.776 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -19.571 11.180 2.705 1.00 0.00 H new ATOM 554 N PHE A 38 -15.871 8.141 2.076 1.00 0.00 N ATOM 555 CA PHE A 38 -14.674 7.995 1.206 1.00 0.00 C ATOM 556 C PHE A 38 -13.461 8.953 1.306 1.00 0.00 C ATOM 557 O PHE A 38 -12.495 8.833 0.556 1.00 0.00 O ATOM 558 CB PHE A 38 -15.121 7.779 -0.249 1.00 0.00 C ATOM 559 CG PHE A 38 -15.957 8.917 -0.836 1.00 0.00 C ATOM 560 CD1 PHE A 38 -17.339 8.898 -0.700 1.00 0.00 C ATOM 561 CD2 PHE A 38 -15.332 9.959 -1.508 1.00 0.00 C ATOM 562 CE1 PHE A 38 -18.103 9.928 -1.236 1.00 0.00 C ATOM 563 CE2 PHE A 38 -16.095 10.984 -2.052 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.479 10.967 -1.917 1.00 0.00 C ATOM 0 H PHE A 38 -16.199 7.236 2.414 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.200 7.122 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.236 7.639 -0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.698 6.856 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.820 8.084 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.257 9.972 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.177 9.921 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.614 11.794 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.071 11.764 -2.343 1.00 0.00 H new ATOM 574 N PHE A 39 -13.548 9.919 2.217 1.00 0.00 N ATOM 575 CA PHE A 39 -12.494 10.911 2.504 1.00 0.00 C ATOM 576 C PHE A 39 -11.883 10.728 3.911 1.00 0.00 C ATOM 577 O PHE A 39 -10.959 9.935 4.101 1.00 0.00 O ATOM 578 CB PHE A 39 -13.153 12.278 2.227 1.00 0.00 C ATOM 579 CG PHE A 39 -12.487 13.519 2.831 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.312 14.029 2.292 1.00 0.00 C ATOM 581 CD2 PHE A 39 -13.159 14.225 3.825 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.812 15.244 2.745 1.00 0.00 C ATOM 583 CE2 PHE A 39 -12.653 15.435 4.283 1.00 0.00 C ATOM 584 CZ PHE A 39 -11.481 15.947 3.741 1.00 0.00 C ATOM 0 H PHE A 39 -14.377 10.044 2.799 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.614 10.798 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.203 12.415 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -14.180 12.236 2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.788 13.482 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -14.075 13.832 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.902 15.643 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.171 15.977 5.060 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.090 16.890 4.093 1.00 0.00 H new ATOM 594 N GLN A 40 -12.553 11.304 4.907 1.00 0.00 N ATOM 595 CA GLN A 40 -12.147 11.350 6.329 1.00 0.00 C ATOM 596 C GLN A 40 -11.690 10.043 7.010 1.00 0.00 C ATOM 597 O GLN A 40 -10.693 10.055 7.728 1.00 0.00 O ATOM 598 CB GLN A 40 -13.248 12.054 7.139 1.00 0.00 C ATOM 599 CG GLN A 40 -14.656 11.487 6.908 1.00 0.00 C ATOM 600 CD GLN A 40 -15.739 12.326 7.589 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.688 12.657 8.765 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.755 12.684 6.840 1.00 0.00 N ATOM 0 H GLN A 40 -13.441 11.779 4.746 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.215 11.914 6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.008 11.980 8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.249 13.114 6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.855 11.440 5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.700 10.465 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.790 12.404 5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.510 13.243 7.238 1.00 0.00 H new ATOM 611 N ILE A 41 -12.258 8.915 6.583 1.00 0.00 N ATOM 612 CA ILE A 41 -11.980 7.580 7.163 1.00 0.00 C ATOM 613 C ILE A 41 -10.524 7.086 7.037 1.00 0.00 C ATOM 614 O ILE A 41 -10.045 6.363 7.910 1.00 0.00 O ATOM 615 CB ILE A 41 -12.985 6.518 6.673 1.00 0.00 C ATOM 616 CG1 ILE A 41 -13.081 6.387 5.144 1.00 0.00 C ATOM 617 CG2 ILE A 41 -14.359 6.767 7.299 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.157 5.296 4.592 1.00 0.00 C ATOM 0 H ILE A 41 -12.932 8.891 5.818 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.121 7.726 8.234 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.598 5.556 7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -14.111 6.163 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.827 7.342 4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -15.062 6.012 6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.280 6.711 8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.716 7.756 7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.262 5.244 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.123 5.532 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.427 4.335 5.029 1.00 0.00 H new ATOM 630 N GLY A 42 -9.869 7.448 5.921 1.00 0.00 N ATOM 631 CA GLY A 42 -8.435 7.168 5.700 1.00 0.00 C ATOM 632 C GLY A 42 -7.516 7.953 6.649 1.00 0.00 C ATOM 633 O GLY A 42 -6.539 7.418 7.174 1.00 0.00 O ATOM 0 H GLY A 42 -10.314 7.941 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.255 6.101 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.178 7.412 4.669 1.00 0.00 H new ATOM 637 N GLY A 43 -7.839 9.249 6.759 1.00 0.00 N ATOM 638 CA GLY A 43 -7.206 10.211 7.683 1.00 0.00 C ATOM 639 C GLY A 43 -5.692 10.428 7.546 1.00 0.00 C ATOM 640 O GLY A 43 -4.878 9.591 7.935 1.00 0.00 O ATOM 0 H GLY A 43 -8.571 9.674 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.698 11.175 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.409 9.883 8.702 1.00 0.00 H new ATOM 644 N HIS A 44 -5.394 11.717 7.416 1.00 0.00 N ATOM 645 CA HIS A 44 -4.023 12.257 7.270 1.00 0.00 C ATOM 646 C HIS A 44 -3.363 12.575 8.631 1.00 0.00 C ATOM 647 O HIS A 44 -2.910 13.685 8.907 1.00 0.00 O ATOM 648 CB HIS A 44 -4.044 13.460 6.308 1.00 0.00 C ATOM 649 CG HIS A 44 -5.118 14.533 6.565 1.00 0.00 C ATOM 650 ND1 HIS A 44 -5.783 15.178 5.608 1.00 0.00 N ATOM 651 CD2 HIS A 44 -5.636 14.913 7.734 1.00 0.00 C ATOM 652 CE1 HIS A 44 -6.724 15.924 6.180 1.00 0.00 C ATOM 653 NE2 HIS A 44 -6.637 15.751 7.496 1.00 0.00 N ATOM 0 H HIS A 44 -6.110 12.444 7.408 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.389 11.487 6.831 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.067 13.941 6.344 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.176 13.082 5.294 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.298 14.593 8.709 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.433 16.557 5.667 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.235 16.186 8.199 1.00 0.00 H new ATOM 662 N SER A 45 -3.370 11.556 9.486 1.00 0.00 N ATOM 663 CA SER A 45 -2.924 11.600 10.902 1.00 0.00 C ATOM 664 C SER A 45 -2.848 10.173 11.486 1.00 0.00 C ATOM 665 O SER A 45 -2.718 9.212 10.725 1.00 0.00 O ATOM 666 CB SER A 45 -3.875 12.488 11.727 1.00 0.00 C ATOM 667 OG SER A 45 -3.624 13.871 11.481 1.00 0.00 O ATOM 0 H SER A 45 -3.699 10.630 9.212 1.00 0.00 H new ATOM 0 HA SER A 45 -1.925 12.034 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.909 12.252 11.475 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.749 12.275 12.788 1.00 0.00 H new ATOM 0 HG SER A 45 -3.205 13.976 10.601 1.00 0.00 H new ATOM 673 N LEU A 46 -3.013 10.031 12.806 1.00 0.00 N ATOM 674 CA LEU A 46 -3.007 8.735 13.526 1.00 0.00 C ATOM 675 C LEU A 46 -3.939 7.638 12.969 1.00 0.00 C ATOM 676 O LEU A 46 -3.688 6.451 13.173 1.00 0.00 O ATOM 677 CB LEU A 46 -3.249 8.918 15.033 1.00 0.00 C ATOM 678 CG LEU A 46 -4.645 9.414 15.442 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.925 8.978 16.880 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.753 10.941 15.364 1.00 0.00 C ATOM 0 H LEU A 46 -3.158 10.828 13.426 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.998 8.363 13.350 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.066 7.964 15.527 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.510 9.622 15.415 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.370 8.984 14.751 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.914 9.325 17.180 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.888 7.891 16.944 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.174 9.407 17.543 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.755 11.251 15.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.021 11.392 16.033 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.560 11.268 14.342 1.00 0.00 H new ATOM 692 N LYS A 47 -4.965 8.051 12.224 1.00 0.00 N ATOM 693 CA LYS A 47 -5.908 7.160 11.513 1.00 0.00 C ATOM 694 C LYS A 47 -5.173 6.074 10.710 1.00 0.00 C ATOM 695 O LYS A 47 -5.171 4.924 11.140 1.00 0.00 O ATOM 696 CB LYS A 47 -6.842 7.938 10.574 1.00 0.00 C ATOM 697 CG LYS A 47 -7.757 8.976 11.237 1.00 0.00 C ATOM 698 CD LYS A 47 -7.037 10.294 11.538 1.00 0.00 C ATOM 699 CE LYS A 47 -8.011 11.342 12.073 1.00 0.00 C ATOM 700 NZ LYS A 47 -7.323 12.593 12.420 1.00 0.00 N ATOM 0 H LYS A 47 -5.176 9.040 12.089 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.509 6.683 12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.232 8.446 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.467 7.221 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.608 9.173 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.154 8.564 12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.246 10.122 12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.559 10.666 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.777 11.543 11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.521 10.950 12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.999 13.251 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.553 12.392 13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.930 13.023 11.559 1.00 0.00 H new ATOM 714 N ALA A 48 -4.364 6.479 9.727 1.00 0.00 N ATOM 715 CA ALA A 48 -3.570 5.557 8.884 1.00 0.00 C ATOM 716 C ALA A 48 -2.751 4.498 9.650 1.00 0.00 C ATOM 717 O ALA A 48 -2.864 3.313 9.339 1.00 0.00 O ATOM 718 CB ALA A 48 -2.661 6.370 7.959 1.00 0.00 C ATOM 0 H ALA A 48 -4.235 7.462 9.486 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.297 4.979 8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.075 5.693 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.270 7.012 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.989 6.985 8.558 1.00 0.00 H new ATOM 724 N MET A 49 -2.047 4.905 10.711 1.00 0.00 N ATOM 725 CA MET A 49 -1.302 3.970 11.588 1.00 0.00 C ATOM 726 C MET A 49 -2.180 3.052 12.459 1.00 0.00 C ATOM 727 O MET A 49 -1.935 1.846 12.527 1.00 0.00 O ATOM 728 CB MET A 49 -0.215 4.656 12.434 1.00 0.00 C ATOM 729 CG MET A 49 -0.670 5.930 13.151 1.00 0.00 C ATOM 730 SD MET A 49 0.009 6.140 14.836 1.00 0.00 S ATOM 731 CE MET A 49 -1.098 5.089 15.754 1.00 0.00 C ATOM 0 H MET A 49 -1.972 5.883 10.992 1.00 0.00 H new ATOM 0 HA MET A 49 -0.803 3.315 10.874 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.148 3.947 13.178 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.628 4.901 11.788 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.384 6.792 12.548 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.758 5.929 13.210 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.822 5.103 16.808 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.120 5.451 15.642 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.030 4.069 15.375 1.00 0.00 H new ATOM 741 N ALA A 50 -3.256 3.598 13.028 1.00 0.00 N ATOM 742 CA ALA A 50 -4.281 2.808 13.745 1.00 0.00 C ATOM 743 C ALA A 50 -4.976 1.788 12.822 1.00 0.00 C ATOM 744 O ALA A 50 -5.238 0.647 13.210 1.00 0.00 O ATOM 745 CB ALA A 50 -5.316 3.751 14.368 1.00 0.00 C ATOM 0 H ALA A 50 -3.449 4.599 13.010 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.778 2.243 14.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.070 3.166 14.895 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.821 4.422 15.070 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.795 4.336 13.583 1.00 0.00 H new ATOM 751 N VAL A 51 -5.216 2.201 11.577 1.00 0.00 N ATOM 752 CA VAL A 51 -5.721 1.301 10.522 1.00 0.00 C ATOM 753 C VAL A 51 -4.655 0.255 10.147 1.00 0.00 C ATOM 754 O VAL A 51 -4.970 -0.929 10.128 1.00 0.00 O ATOM 755 CB VAL A 51 -6.252 2.019 9.266 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.050 1.021 8.425 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.169 3.207 9.574 1.00 0.00 C ATOM 0 H VAL A 51 -5.069 3.161 11.266 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.589 0.802 10.954 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.378 2.405 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.431 1.519 7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.403 0.194 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.885 0.638 9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.502 3.661 8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.035 2.861 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.623 3.945 10.162 1.00 0.00 H new ATOM 767 N ALA A 52 -3.392 0.658 9.994 1.00 0.00 N ATOM 768 CA ALA A 52 -2.268 -0.283 9.781 1.00 0.00 C ATOM 769 C ALA A 52 -2.220 -1.390 10.849 1.00 0.00 C ATOM 770 O ALA A 52 -2.198 -2.571 10.504 1.00 0.00 O ATOM 771 CB ALA A 52 -0.936 0.470 9.766 1.00 0.00 C ATOM 0 H ALA A 52 -3.111 1.638 10.013 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.435 -0.759 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.121 -0.236 9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.942 1.203 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.795 0.980 10.719 1.00 0.00 H new ATOM 777 N ALA A 53 -2.437 -1.002 12.106 1.00 0.00 N ATOM 778 CA ALA A 53 -2.557 -1.930 13.249 1.00 0.00 C ATOM 779 C ALA A 53 -3.699 -2.956 13.103 1.00 0.00 C ATOM 780 O ALA A 53 -3.449 -4.162 13.176 1.00 0.00 O ATOM 781 CB ALA A 53 -2.706 -1.110 14.534 1.00 0.00 C ATOM 0 H ALA A 53 -2.537 -0.022 12.371 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.647 -2.529 13.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.796 -1.783 15.387 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.830 -0.475 14.664 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.599 -0.488 14.467 1.00 0.00 H new ATOM 787 N GLN A 54 -4.916 -2.487 12.811 1.00 0.00 N ATOM 788 CA GLN A 54 -6.073 -3.375 12.546 1.00 0.00 C ATOM 789 C GLN A 54 -5.943 -4.211 11.255 1.00 0.00 C ATOM 790 O GLN A 54 -6.240 -5.405 11.243 1.00 0.00 O ATOM 791 CB GLN A 54 -7.417 -2.623 12.616 1.00 0.00 C ATOM 792 CG GLN A 54 -7.620 -1.572 11.520 1.00 0.00 C ATOM 793 CD GLN A 54 -8.918 -0.779 11.660 1.00 0.00 C ATOM 794 OE1 GLN A 54 -9.958 -1.116 11.113 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.850 0.338 12.352 1.00 0.00 N ATOM 0 H GLN A 54 -5.135 -1.493 12.750 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.064 -4.100 13.360 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.228 -3.349 12.559 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.495 -2.135 13.587 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.779 -0.879 11.533 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.610 -2.067 10.549 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.975 0.606 12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.672 0.936 12.438 1.00 0.00 H new ATOM 804 N VAL A 55 -5.391 -3.602 10.210 1.00 0.00 N ATOM 805 CA VAL A 55 -5.098 -4.254 8.914 1.00 0.00 C ATOM 806 C VAL A 55 -3.978 -5.311 9.031 1.00 0.00 C ATOM 807 O VAL A 55 -3.914 -6.245 8.236 1.00 0.00 O ATOM 808 CB VAL A 55 -4.890 -3.181 7.820 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.486 -3.748 6.456 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.203 -2.430 7.582 1.00 0.00 C ATOM 0 H VAL A 55 -5.124 -2.618 10.230 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.960 -4.840 8.596 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.086 -2.547 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.360 -2.931 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.547 -4.293 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.263 -4.424 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.055 -1.674 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.971 -3.133 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.519 -1.948 8.507 1.00 0.00 H new ATOM 820 N HIS A 56 -3.081 -5.138 9.996 1.00 0.00 N ATOM 821 CA HIS A 56 -2.146 -6.202 10.405 1.00 0.00 C ATOM 822 C HIS A 56 -2.877 -7.342 11.143 1.00 0.00 C ATOM 823 O HIS A 56 -3.079 -8.405 10.565 1.00 0.00 O ATOM 824 CB HIS A 56 -1.017 -5.577 11.239 1.00 0.00 C ATOM 825 CG HIS A 56 0.239 -6.451 11.362 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.110 -6.394 12.367 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.762 -7.237 10.423 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.172 -7.126 12.040 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.956 -7.645 10.837 1.00 0.00 N ATOM 0 H HIS A 56 -2.975 -4.268 10.518 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.703 -6.664 9.523 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.738 -4.622 10.793 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.396 -5.364 12.239 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.295 -7.498 9.485 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.054 -7.272 12.646 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.595 -8.251 10.322 1.00 0.00 H new ATOM 838 N ARG A 57 -3.499 -7.025 12.280 1.00 0.00 N ATOM 839 CA ARG A 57 -4.134 -8.027 13.169 1.00 0.00 C ATOM 840 C ARG A 57 -5.354 -8.795 12.611 1.00 0.00 C ATOM 841 O ARG A 57 -5.476 -10.002 12.807 1.00 0.00 O ATOM 842 CB ARG A 57 -4.466 -7.386 14.528 1.00 0.00 C ATOM 843 CG ARG A 57 -5.622 -6.377 14.475 1.00 0.00 C ATOM 844 CD ARG A 57 -5.891 -5.675 15.803 1.00 0.00 C ATOM 845 NE ARG A 57 -4.875 -4.634 16.033 1.00 0.00 N ATOM 846 CZ ARG A 57 -4.883 -3.738 17.021 1.00 0.00 C ATOM 847 NH1 ARG A 57 -5.833 -3.708 17.946 1.00 0.00 N ATOM 848 NH2 ARG A 57 -3.902 -2.855 17.118 1.00 0.00 N ATOM 0 H ARG A 57 -3.582 -6.067 12.620 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.379 -8.807 13.270 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.717 -8.174 15.238 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.576 -6.885 14.909 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.401 -5.626 13.716 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.528 -6.894 14.158 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.886 -5.229 15.794 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.873 -6.399 16.617 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.095 -4.595 15.377 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.594 -4.387 17.918 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.803 -3.006 18.686 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.142 -2.861 16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.906 -2.169 17.873 1.00 0.00 H new ATOM 862 N GLU A 58 -6.241 -8.075 11.923 1.00 0.00 N ATOM 863 CA GLU A 58 -7.552 -8.573 11.453 1.00 0.00 C ATOM 864 C GLU A 58 -7.598 -8.809 9.932 1.00 0.00 C ATOM 865 O GLU A 58 -8.392 -9.616 9.455 1.00 0.00 O ATOM 866 CB GLU A 58 -8.607 -7.535 11.870 1.00 0.00 C ATOM 867 CG GLU A 58 -10.068 -7.939 11.630 1.00 0.00 C ATOM 868 CD GLU A 58 -10.552 -9.014 12.607 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.069 -8.609 13.669 1.00 0.00 O ATOM 870 OE2 GLU A 58 -10.446 -10.208 12.252 1.00 0.00 O ATOM 0 H GLU A 58 -6.071 -7.103 11.666 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.745 -9.546 11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.478 -7.319 12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.412 -6.608 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.704 -7.058 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.176 -8.306 10.609 1.00 0.00 H new ATOM 877 N TYR A 59 -6.859 -7.988 9.189 1.00 0.00 N ATOM 878 CA TYR A 59 -6.773 -8.090 7.719 1.00 0.00 C ATOM 879 C TYR A 59 -5.573 -8.914 7.206 1.00 0.00 C ATOM 880 O TYR A 59 -5.580 -9.345 6.052 1.00 0.00 O ATOM 881 CB TYR A 59 -6.718 -6.695 7.081 1.00 0.00 C ATOM 882 CG TYR A 59 -7.985 -5.827 7.093 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.686 -5.533 8.260 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.317 -5.155 5.921 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.700 -4.583 8.251 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.334 -4.211 5.904 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.025 -3.921 7.073 1.00 0.00 C ATOM 888 OH TYR A 59 -11.024 -3.001 7.064 1.00 0.00 O ATOM 0 H TYR A 59 -6.300 -7.230 9.581 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.677 -8.622 7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.929 -6.134 7.581 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.412 -6.819 6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.440 -6.047 9.178 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.776 -5.371 5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.237 -4.359 9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.587 -3.704 4.985 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.665 -2.131 6.790 1.00 0.00 H new ATOM 898 N GLN A 60 -4.546 -9.076 8.045 1.00 0.00 N ATOM 899 CA GLN A 60 -3.205 -9.625 7.731 1.00 0.00 C ATOM 900 C GLN A 60 -2.356 -8.859 6.705 1.00 0.00 C ATOM 901 O GLN A 60 -1.221 -8.488 6.998 1.00 0.00 O ATOM 902 CB GLN A 60 -3.228 -11.117 7.381 1.00 0.00 C ATOM 903 CG GLN A 60 -2.875 -11.960 8.607 1.00 0.00 C ATOM 904 CD GLN A 60 -2.647 -13.422 8.218 1.00 0.00 C ATOM 905 OE1 GLN A 60 -3.498 -14.287 8.364 1.00 0.00 O ATOM 906 NE2 GLN A 60 -1.461 -13.730 7.737 1.00 0.00 N ATOM 0 H GLN A 60 -4.624 -8.813 9.027 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.695 -9.480 8.683 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.216 -11.395 7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.520 -11.319 6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.978 -11.562 9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.678 -11.896 9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.755 -13.004 7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.248 -14.695 7.484 1.00 0.00 H new ATOM 915 N VAL A 61 -2.979 -8.513 5.580 1.00 0.00 N ATOM 916 CA VAL A 61 -2.373 -7.864 4.395 1.00 0.00 C ATOM 917 C VAL A 61 -1.923 -6.386 4.565 1.00 0.00 C ATOM 918 O VAL A 61 -1.787 -5.647 3.594 1.00 0.00 O ATOM 919 CB VAL A 61 -3.343 -8.132 3.220 1.00 0.00 C ATOM 920 CG1 VAL A 61 -4.661 -7.350 3.305 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.671 -8.010 1.848 1.00 0.00 C ATOM 0 H VAL A 61 -3.977 -8.683 5.453 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.397 -8.308 4.199 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.627 -9.179 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.285 -7.594 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.186 -7.620 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.450 -6.281 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.403 -8.209 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.274 -7.002 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.857 -8.732 1.776 1.00 0.00 H new ATOM 931 N GLU A 62 -1.559 -6.027 5.797 1.00 0.00 N ATOM 932 CA GLU A 62 -1.066 -4.711 6.278 1.00 0.00 C ATOM 933 C GLU A 62 -0.705 -3.610 5.249 1.00 0.00 C ATOM 934 O GLU A 62 0.462 -3.285 5.022 1.00 0.00 O ATOM 935 CB GLU A 62 0.072 -4.958 7.289 1.00 0.00 C ATOM 936 CG GLU A 62 1.257 -5.754 6.713 1.00 0.00 C ATOM 937 CD GLU A 62 2.449 -5.908 7.665 1.00 0.00 C ATOM 938 OE1 GLU A 62 2.692 -4.977 8.467 1.00 0.00 O ATOM 939 OE2 GLU A 62 3.155 -6.929 7.503 1.00 0.00 O ATOM 0 H GLU A 62 -1.601 -6.702 6.561 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.943 -4.251 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.435 -3.997 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.329 -5.494 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.906 -6.746 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.598 -5.263 5.802 1.00 0.00 H new ATOM 946 N LEU A 63 -1.739 -2.956 4.718 1.00 0.00 N ATOM 947 CA LEU A 63 -1.555 -1.860 3.741 1.00 0.00 C ATOM 948 C LEU A 63 -2.198 -0.504 4.133 1.00 0.00 C ATOM 949 O LEU A 63 -3.286 -0.154 3.660 1.00 0.00 O ATOM 950 CB LEU A 63 -1.889 -2.334 2.308 1.00 0.00 C ATOM 951 CG LEU A 63 -3.355 -2.573 1.902 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.419 -2.879 0.405 1.00 0.00 C ATOM 953 CD2 LEU A 63 -4.033 -3.715 2.657 1.00 0.00 C ATOM 0 H LEU A 63 -2.713 -3.159 4.941 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.493 -1.616 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.477 -1.598 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.349 -3.266 2.140 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.893 -1.660 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.455 -3.049 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.017 -2.035 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.830 -3.771 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.062 -3.818 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.494 -4.644 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.028 -3.499 3.725 1.00 0.00 H new ATOM 965 N PRO A 64 -1.501 0.293 4.965 1.00 0.00 N ATOM 966 CA PRO A 64 -1.962 1.634 5.384 1.00 0.00 C ATOM 967 C PRO A 64 -2.001 2.611 4.201 1.00 0.00 C ATOM 968 O PRO A 64 -1.196 2.508 3.277 1.00 0.00 O ATOM 969 CB PRO A 64 -0.963 2.088 6.448 1.00 0.00 C ATOM 970 CG PRO A 64 0.323 1.361 6.064 1.00 0.00 C ATOM 971 CD PRO A 64 -0.173 0.010 5.547 1.00 0.00 C ATOM 0 HA PRO A 64 -2.980 1.605 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.830 3.170 6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.293 1.816 7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.878 1.904 5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.989 1.244 6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.506 -0.402 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.242 -0.721 6.353 1.00 0.00 H new ATOM 979 N LEU A 65 -2.950 3.544 4.278 1.00 0.00 N ATOM 980 CA LEU A 65 -3.323 4.521 3.223 1.00 0.00 C ATOM 981 C LEU A 65 -3.876 3.864 1.942 1.00 0.00 C ATOM 982 O LEU A 65 -4.995 4.173 1.545 1.00 0.00 O ATOM 983 CB LEU A 65 -2.176 5.508 2.940 1.00 0.00 C ATOM 984 CG LEU A 65 -2.568 6.679 2.028 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.831 7.943 2.471 1.00 0.00 C ATOM 986 CD2 LEU A 65 -2.219 6.390 0.564 1.00 0.00 C ATOM 0 H LEU A 65 -3.517 3.655 5.118 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.157 5.100 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.811 5.905 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.349 4.966 2.482 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.646 6.818 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.110 8.773 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.101 8.180 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.755 7.778 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.510 7.239 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.146 6.225 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.753 5.500 0.232 1.00 0.00 H new ATOM 998 N LYS A 66 -3.181 2.843 1.443 1.00 0.00 N ATOM 999 CA LYS A 66 -3.562 2.018 0.277 1.00 0.00 C ATOM 1000 C LYS A 66 -5.038 1.580 0.331 1.00 0.00 C ATOM 1001 O LYS A 66 -5.876 2.245 -0.280 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.639 0.795 0.214 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.196 1.106 -0.188 1.00 0.00 C ATOM 1004 CD LYS A 66 -1.058 1.202 -1.709 1.00 0.00 C ATOM 1005 CE LYS A 66 0.403 1.413 -2.108 1.00 0.00 C ATOM 1006 NZ LYS A 66 0.568 1.299 -3.564 1.00 0.00 N ATOM 0 H LYS A 66 -2.295 2.548 1.853 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.449 2.621 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.634 0.310 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.054 0.079 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.882 2.044 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.533 0.329 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.438 0.291 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.665 2.027 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.737 2.396 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.031 0.676 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.567 1.446 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.269 0.352 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.016 2.018 -4.037 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.350 0.732 1.315 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.710 0.193 1.535 1.00 0.00 C ATOM 1022 C VAL A 67 -7.766 1.226 2.006 1.00 0.00 C ATOM 1023 O VAL A 67 -8.963 0.961 1.964 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.591 -1.082 2.398 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.611 -0.864 3.914 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.563 -2.169 1.943 1.00 0.00 C ATOM 0 H VAL A 67 -4.666 0.393 1.991 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.136 -0.084 0.571 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.578 -1.439 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.521 -1.825 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.777 -0.223 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.549 -0.389 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.447 -3.049 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.585 -1.799 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.351 -2.436 0.908 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.310 2.455 2.239 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.113 3.568 2.790 1.00 0.00 C ATOM 1038 C LEU A 68 -8.471 4.676 1.788 1.00 0.00 C ATOM 1039 O LEU A 68 -9.401 5.438 2.034 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.387 4.244 3.963 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.262 3.465 5.280 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.591 2.834 5.713 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.081 2.494 5.243 1.00 0.00 C ATOM 0 H LEU A 68 -6.344 2.722 2.047 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.039 3.084 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.381 4.500 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.900 5.182 4.177 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.030 4.177 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.450 2.294 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.336 3.617 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.933 2.142 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.021 1.958 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.222 1.781 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.158 3.050 5.081 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.576 4.890 0.828 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.735 5.901 -0.233 1.00 0.00 C ATOM 1057 C PHE A 69 -8.034 5.301 -1.617 1.00 0.00 C ATOM 1058 O PHE A 69 -8.839 5.861 -2.358 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.480 6.784 -0.278 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.418 7.777 0.889 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.980 7.381 2.150 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.787 9.099 0.678 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.903 8.302 3.188 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.706 10.023 1.713 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.264 9.626 2.970 1.00 0.00 C ATOM 0 H PHE A 69 -6.705 4.363 0.757 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.610 6.501 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.593 6.150 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.460 7.333 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.699 6.353 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.138 9.410 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.563 7.989 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.987 11.051 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.201 10.344 3.774 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.418 4.161 -1.935 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.716 3.415 -3.177 1.00 0.00 C ATOM 1077 C ALA A 70 -9.075 2.692 -3.100 1.00 0.00 C ATOM 1078 O ALA A 70 -9.826 2.665 -4.073 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.585 2.429 -3.487 1.00 0.00 C ATOM 0 H ALA A 70 -6.704 3.725 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.785 4.136 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.817 1.886 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.651 2.976 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.482 1.723 -2.663 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.330 2.048 -1.960 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.657 1.486 -1.640 1.00 0.00 C ATOM 1087 C GLN A 71 -11.264 2.016 -0.311 1.00 0.00 C ATOM 1088 O GLN A 71 -11.521 1.232 0.608 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.635 -0.053 -1.755 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.651 -0.810 -0.849 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.222 -0.854 -1.396 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.458 0.099 -1.353 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.812 -1.999 -1.887 1.00 0.00 N ATOM 0 H GLN A 71 -8.632 1.898 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.355 1.854 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.639 -0.422 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.409 -0.311 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.640 -0.339 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.009 -1.830 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.448 -2.795 -1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.857 -2.093 -2.232 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.703 3.290 -0.287 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.234 3.974 0.916 1.00 0.00 C ATOM 1104 C PRO A 72 -13.675 3.594 1.329 1.00 0.00 C ATOM 1105 O PRO A 72 -14.433 4.392 1.886 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.101 5.458 0.567 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.359 5.498 -0.935 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.700 4.217 -1.440 1.00 0.00 C ATOM 0 HA PRO A 72 -11.676 3.673 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.823 6.065 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.111 5.841 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.425 5.517 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.921 6.384 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.251 3.798 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.685 4.408 -1.787 1.00 0.00 H new ATOM 1116 N THR A 73 -13.973 2.309 1.176 1.00 0.00 N ATOM 1117 CA THR A 73 -15.308 1.705 1.380 1.00 0.00 C ATOM 1118 C THR A 73 -15.178 0.298 1.976 1.00 0.00 C ATOM 1119 O THR A 73 -14.483 -0.557 1.426 1.00 0.00 O ATOM 1120 CB THR A 73 -16.142 1.681 0.079 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.342 0.915 0.254 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.386 1.201 -1.167 1.00 0.00 C ATOM 0 H THR A 73 -13.272 1.623 0.896 1.00 0.00 H new ATOM 0 HA THR A 73 -15.845 2.335 2.089 1.00 0.00 H new ATOM 0 HB THR A 73 -16.388 2.726 -0.112 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.855 0.915 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.054 1.219 -2.028 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.537 1.858 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.029 0.184 -1.007 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.989 0.047 3.001 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.026 -1.258 3.689 1.00 0.00 C ATOM 1132 C ILE A 74 -16.497 -2.418 2.786 1.00 0.00 C ATOM 1133 O ILE A 74 -16.035 -3.545 2.946 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.715 -1.123 5.065 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.023 -1.963 6.153 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.232 -1.317 5.058 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.968 -3.488 5.980 1.00 0.00 C ATOM 0 H ILE A 74 -16.639 0.734 3.383 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.005 -1.568 3.915 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.582 -0.073 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -14.998 -1.603 6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.522 -1.755 7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.618 -1.202 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.691 -0.572 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.469 -2.315 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.449 -3.932 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.982 -3.885 5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.434 -3.731 5.061 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.238 -2.079 1.729 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.605 -3.016 0.646 1.00 0.00 C ATOM 1151 C LYS A 75 -16.335 -3.649 0.038 1.00 0.00 C ATOM 1152 O LYS A 75 -15.996 -4.791 0.348 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.473 -2.229 -0.351 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.907 -2.986 -1.614 1.00 0.00 C ATOM 1155 CD LYS A 75 -18.049 -2.655 -2.843 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.243 -1.211 -3.327 1.00 0.00 C ATOM 1157 NZ LYS A 75 -17.452 -0.940 -4.536 1.00 0.00 N ATOM 0 H LYS A 75 -17.608 -1.138 1.592 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.189 -3.864 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.368 -1.888 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.923 -1.339 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.857 -4.058 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.948 -2.749 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.998 -2.815 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.299 -3.342 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.298 -1.034 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.952 -0.519 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.605 0.043 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.443 -1.086 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.748 -1.585 -5.296 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.496 -2.784 -0.529 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.187 -3.176 -1.087 1.00 0.00 C ATOM 1173 C ALA A 76 -13.187 -3.675 -0.028 1.00 0.00 C ATOM 1174 O ALA A 76 -12.442 -4.609 -0.310 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.605 -2.022 -1.899 1.00 0.00 C ATOM 0 H ALA A 76 -15.698 -1.788 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.363 -4.030 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.639 -2.316 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.284 -1.772 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.476 -1.152 -1.255 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.231 -3.125 1.189 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.452 -3.650 2.336 1.00 0.00 C ATOM 1183 C LEU A 77 -12.749 -5.137 2.608 1.00 0.00 C ATOM 1184 O LEU A 77 -11.838 -5.964 2.599 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.700 -2.833 3.615 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.222 -1.373 3.559 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.667 -0.620 4.814 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.701 -1.288 3.475 1.00 0.00 C ATOM 0 H LEU A 77 -13.800 -2.309 1.416 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.403 -3.555 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.768 -2.841 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.202 -3.330 4.447 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.661 -0.926 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.322 0.412 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.755 -0.636 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.242 -1.100 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.397 -0.242 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.261 -1.762 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.357 -1.799 2.576 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.038 -5.483 2.642 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.505 -6.879 2.766 1.00 0.00 C ATOM 1202 C ALA A 78 -14.100 -7.753 1.568 1.00 0.00 C ATOM 1203 O ALA A 78 -13.690 -8.891 1.771 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.021 -6.926 2.963 1.00 0.00 C ATOM 0 H ALA A 78 -14.797 -4.804 2.584 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.012 -7.293 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.344 -7.963 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.287 -6.384 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.514 -6.465 2.107 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.163 -7.207 0.353 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.623 -7.876 -0.851 1.00 0.00 C ATOM 1212 C GLN A 79 -12.109 -8.147 -0.795 1.00 0.00 C ATOM 1213 O GLN A 79 -11.662 -9.252 -1.093 1.00 0.00 O ATOM 1214 CB GLN A 79 -13.982 -7.094 -2.122 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.365 -7.458 -2.678 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.531 -7.077 -1.761 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.145 -6.027 -1.878 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -16.883 -7.966 -0.856 1.00 0.00 N ATOM 0 H GLN A 79 -14.584 -6.297 0.167 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.102 -8.855 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.953 -6.026 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.228 -7.285 -2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.498 -6.965 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.399 -8.532 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.362 -8.839 -0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.677 -7.782 -0.242 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.358 -7.152 -0.329 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.901 -7.235 -0.105 1.00 0.00 C ATOM 1229 C TYR A 80 -9.435 -8.200 0.999 1.00 0.00 C ATOM 1230 O TYR A 80 -8.271 -8.597 1.011 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.326 -5.833 0.113 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.803 -5.268 -1.210 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.668 -4.729 -2.155 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.456 -5.414 -1.515 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.190 -4.332 -3.397 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.972 -5.016 -2.753 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.837 -4.463 -3.690 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.316 -3.843 -4.778 1.00 0.00 O ATOM 0 H TYR A 80 -11.747 -6.240 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.504 -7.679 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.094 -5.176 0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.519 -5.872 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.717 -4.618 -1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.782 -5.839 -0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.867 -3.923 -4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.925 -5.136 -2.988 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.357 -4.037 -4.837 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.299 -8.448 1.984 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.022 -9.473 3.016 1.00 0.00 C ATOM 1250 C VAL A 81 -10.960 -10.685 3.038 1.00 0.00 C ATOM 1251 O VAL A 81 -10.575 -11.740 2.540 1.00 0.00 O ATOM 1252 CB VAL A 81 -9.731 -8.919 4.420 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.334 -8.308 4.391 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -10.758 -7.905 4.941 1.00 0.00 C ATOM 0 H VAL A 81 -11.190 -7.964 2.097 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.076 -9.879 2.658 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.799 -9.750 5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.093 -7.904 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.607 -9.075 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.302 -7.508 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.467 -7.572 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.796 -7.048 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.741 -8.374 4.988 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.193 -10.504 3.513 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.226 -11.560 3.597 1.00 0.00 C ATOM 1266 C ALA A 82 -13.804 -11.936 2.213 1.00 0.00 C ATOM 1267 O ALA A 82 -14.973 -11.724 1.884 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.306 -11.096 4.582 1.00 0.00 C ATOM 0 H ALA A 82 -12.517 -9.601 3.860 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.774 -12.481 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.080 -11.860 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.858 -10.931 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.749 -10.166 4.225 1.00 0.00 H new ATOM 1274 N THR A 83 -12.898 -12.480 1.408 1.00 0.00 N ATOM 1275 CA THR A 83 -13.049 -12.940 0.007 1.00 0.00 C ATOM 1276 C THR A 83 -11.786 -13.734 -0.390 1.00 0.00 C ATOM 1277 O THR A 83 -11.914 -14.881 -0.813 1.00 0.00 O ATOM 1278 CB THR A 83 -13.317 -11.767 -0.967 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.549 -11.119 -0.631 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.384 -12.191 -2.441 1.00 0.00 C ATOM 0 H THR A 83 -11.945 -12.630 1.738 1.00 0.00 H new ATOM 0 HA THR A 83 -13.923 -13.588 -0.062 1.00 0.00 H new ATOM 0 HB THR A 83 -12.468 -11.092 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.959 -11.573 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.574 -11.316 -3.063 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.437 -12.644 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.189 -12.914 -2.575 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.594 -13.147 -0.219 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.321 -13.864 -0.480 1.00 0.00 C ATOM 1290 C ARG A 84 -8.374 -14.107 0.718 1.00 0.00 C ATOM 1291 O ARG A 84 -7.623 -15.080 0.718 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.539 -13.244 -1.656 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.835 -11.904 -1.386 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.771 -10.694 -1.342 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.276 -10.327 -2.680 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.579 -9.772 -3.677 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.394 -9.210 -3.483 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.155 -9.590 -4.856 1.00 0.00 N ATOM 0 H ARG A 84 -10.476 -12.184 0.097 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.679 -14.861 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.788 -13.963 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.229 -13.104 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.304 -11.972 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.085 -11.740 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.613 -10.913 -0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.243 -9.844 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.261 -10.517 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.985 -9.191 -2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.891 -8.796 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.125 -9.873 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.629 -9.167 -5.621 1.00 0.00 H new ATOM 1312 N SER A 85 -8.410 -13.223 1.717 1.00 0.00 N ATOM 1313 CA SER A 85 -7.522 -13.211 2.908 1.00 0.00 C ATOM 1314 C SER A 85 -6.006 -13.199 2.634 1.00 0.00 C ATOM 1315 O SER A 85 -5.471 -12.069 2.564 1.00 0.00 O ATOM 1316 CB SER A 85 -7.880 -14.321 3.906 1.00 0.00 C ATOM 1317 OG SER A 85 -9.195 -14.103 4.427 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.394 -14.287 2.534 1.00 99.99 O ATOM 0 H SER A 85 -9.084 -12.458 1.730 1.00 0.00 H new ATOM 0 HA SER A 85 -7.728 -12.237 3.352 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.831 -15.293 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.155 -14.338 4.720 1.00 0.00 H new ATOM 0 HG SER A 85 -9.644 -13.409 3.901 1.00 0.00 H new TER 1324 SER A 85