USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 886 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 Single : A 12 ASN : amide:sc= 0.911 K(o=0.91,f=-0.72) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00776 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= -0.915 (180deg=-0.953) USER MOD Single : A 23 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.44) USER MOD Single : A 24 GLN : amide:sc= -0.919 K(o=-0.92,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= 0.399 K(o=0.4,f=-1.5) USER MOD Single : A 33 MET CE :methyl -147:sc= -10.1! (180deg=-12.1!) USER MOD Single : A 34 MET CE :methyl -107:sc= -2.79! (180deg=-5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -5.02! C(o=-5!,f=-7.9!) USER MOD Single : A 38 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.8!) USER MOD Single : A 47 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.7!) USER MOD Single : A 51 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.074) USER MOD Single : A 53 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.4!) USER MOD Single : A 63 SER OG : rot 65:sc= 0.258 USER MOD Single : B 12 ASN : amide:sc= 1.05 K(o=1.1,f=-0.74) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ -171:sc= -0.902 (180deg=-0.962) USER MOD Single : B 23 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.54) USER MOD Single : B 24 GLN : amide:sc= -0.962 X(o=-0.96,f=-1.4) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HE2:sc= 0.388 K(o=0.39,f=-1.4) USER MOD Single : B 33 MET CE :methyl -150:sc= -10.2! (180deg=-12.2!) USER MOD Single : B 34 MET CE :methyl -116:sc= -3.02! (180deg=-5.23!) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-8!) USER MOD Single : B 38 GLN : amide:sc=-0.00655 K(o=-0.0065,f=-1.4!) USER MOD Single : B 39 ASN : amide:sc=-0.00346 K(o=-0.0035,f=-1.8!) USER MOD Single : B 47 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.7!) USER MOD Single : B 51 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.077) USER MOD Single : B 53 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.0011) USER MOD Single : B 54 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.5!) USER MOD Single : B 63 SER OG : rot 72:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -26.347 1.441 -7.346 1.00 0.00 N ATOM 2 CA LEU A 8 -26.216 2.447 -8.438 1.00 0.00 C ATOM 3 C LEU A 8 -25.164 1.992 -9.453 1.00 0.00 C ATOM 4 O LEU A 8 -23.990 1.905 -9.148 1.00 0.00 O ATOM 5 CB LEU A 8 -25.769 3.733 -7.741 1.00 0.00 C ATOM 6 CG LEU A 8 -26.971 4.659 -7.555 1.00 0.00 C ATOM 7 CD1 LEU A 8 -27.088 5.054 -6.081 1.00 0.00 C ATOM 8 CD2 LEU A 8 -26.783 5.916 -8.406 1.00 0.00 C ATOM 0 HA LEU A 8 -27.148 2.584 -8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -25.324 3.499 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -25.001 4.231 -8.333 1.00 0.00 H new ATOM 0 HG LEU A 8 -27.879 4.142 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -27.945 5.714 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -27.222 4.159 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -26.180 5.571 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -27.640 6.577 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -25.875 6.433 -8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -26.700 5.635 -9.456 1.00 0.00 H new ATOM 20 N GLU A 9 -25.574 1.701 -10.657 1.00 0.00 N ATOM 21 CA GLU A 9 -24.596 1.252 -11.689 1.00 0.00 C ATOM 22 C GLU A 9 -24.952 1.857 -13.054 1.00 0.00 C ATOM 23 O GLU A 9 -25.422 1.161 -13.932 1.00 0.00 O ATOM 24 CB GLU A 9 -24.732 -0.270 -11.726 1.00 0.00 C ATOM 25 CG GLU A 9 -23.398 -0.892 -12.147 1.00 0.00 C ATOM 26 CD GLU A 9 -23.654 -2.236 -12.831 1.00 0.00 C ATOM 27 OE1 GLU A 9 -23.736 -3.230 -12.128 1.00 0.00 O ATOM 28 OE2 GLU A 9 -23.763 -2.249 -14.046 1.00 0.00 O ATOM 0 H GLU A 9 -26.543 1.755 -10.971 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.578 1.565 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -25.026 -0.643 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -25.517 -0.559 -12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -22.870 -0.222 -12.825 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -22.759 -1.032 -11.275 1.00 0.00 H new ATOM 35 N PRO A 10 -24.715 3.139 -13.190 1.00 0.00 N ATOM 36 CA PRO A 10 -25.017 3.833 -14.465 1.00 0.00 C ATOM 37 C PRO A 10 -24.002 3.440 -15.542 1.00 0.00 C ATOM 38 O PRO A 10 -24.363 3.079 -16.645 1.00 0.00 O ATOM 39 CB PRO A 10 -24.888 5.312 -14.110 1.00 0.00 C ATOM 40 CG PRO A 10 -23.967 5.349 -12.933 1.00 0.00 C ATOM 41 CD PRO A 10 -24.150 4.053 -12.187 1.00 0.00 C ATOM 0 HA PRO A 10 -25.999 3.581 -14.867 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.484 5.884 -14.945 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -25.858 5.745 -13.866 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -22.933 5.464 -13.257 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -24.197 6.199 -12.291 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -23.203 3.680 -11.797 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.820 4.174 -11.336 1.00 0.00 H new ATOM 49 N ASP A 11 -22.733 3.505 -15.227 1.00 0.00 N ATOM 50 CA ASP A 11 -21.678 3.139 -16.224 1.00 0.00 C ATOM 51 C ASP A 11 -21.766 4.048 -17.454 1.00 0.00 C ATOM 52 O ASP A 11 -21.027 5.004 -17.584 1.00 0.00 O ATOM 53 CB ASP A 11 -21.960 1.682 -16.608 1.00 0.00 C ATOM 54 CG ASP A 11 -20.843 0.787 -16.071 1.00 0.00 C ATOM 55 OD1 ASP A 11 -19.810 0.711 -16.716 1.00 0.00 O ATOM 56 OD2 ASP A 11 -21.038 0.193 -15.023 1.00 0.00 O ATOM 0 H ASP A 11 -22.379 3.798 -14.316 1.00 0.00 H new ATOM 0 HA ASP A 11 -20.675 3.258 -15.813 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -22.921 1.367 -16.200 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.027 1.587 -17.692 1.00 0.00 H new ATOM 61 N ASN A 12 -22.661 3.759 -18.356 1.00 0.00 N ATOM 62 CA ASN A 12 -22.794 4.607 -19.575 1.00 0.00 C ATOM 63 C ASN A 12 -24.272 4.801 -19.925 1.00 0.00 C ATOM 64 O ASN A 12 -24.624 5.064 -21.057 1.00 0.00 O ATOM 65 CB ASN A 12 -22.080 3.828 -20.680 1.00 0.00 C ATOM 66 CG ASN A 12 -21.631 4.794 -21.778 1.00 0.00 C ATOM 67 OD1 ASN A 12 -20.461 4.864 -22.101 1.00 0.00 O ATOM 68 ND2 ASN A 12 -22.517 5.545 -22.372 1.00 0.00 N ATOM 0 H ASN A 12 -23.307 2.972 -18.303 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.367 5.600 -19.435 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -21.218 3.301 -20.270 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -22.747 3.073 -21.096 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -22.228 6.190 -23.107 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -23.499 5.487 -22.101 1.00 0.00 H new ATOM 75 N VAL A 13 -25.141 4.671 -18.960 1.00 0.00 N ATOM 76 CA VAL A 13 -26.595 4.846 -19.238 1.00 0.00 C ATOM 77 C VAL A 13 -26.929 6.346 -19.368 1.00 0.00 C ATOM 78 O VAL A 13 -27.425 6.776 -20.390 1.00 0.00 O ATOM 79 CB VAL A 13 -27.298 4.177 -18.038 1.00 0.00 C ATOM 80 CG1 VAL A 13 -28.664 4.821 -17.760 1.00 0.00 C ATOM 81 CG2 VAL A 13 -27.504 2.694 -18.350 1.00 0.00 C ATOM 0 H VAL A 13 -24.907 4.451 -17.992 1.00 0.00 H new ATOM 0 HA VAL A 13 -26.919 4.396 -20.177 1.00 0.00 H new ATOM 0 HB VAL A 13 -26.671 4.306 -17.156 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.133 4.327 -16.909 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.529 5.879 -17.536 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -29.302 4.715 -18.638 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.000 2.211 -17.508 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -28.121 2.592 -19.243 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -26.537 2.221 -18.522 1.00 0.00 H new ATOM 91 N PRO A 14 -26.646 7.098 -18.332 1.00 0.00 N ATOM 92 CA PRO A 14 -26.929 8.554 -18.360 1.00 0.00 C ATOM 93 C PRO A 14 -25.905 9.273 -19.241 1.00 0.00 C ATOM 94 O PRO A 14 -26.252 10.073 -20.088 1.00 0.00 O ATOM 95 CB PRO A 14 -26.778 8.979 -16.904 1.00 0.00 C ATOM 96 CG PRO A 14 -25.861 7.966 -16.295 1.00 0.00 C ATOM 97 CD PRO A 14 -26.049 6.680 -17.056 1.00 0.00 C ATOM 0 HA PRO A 14 -27.911 8.792 -18.768 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -26.362 9.984 -16.828 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -27.742 8.994 -16.396 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -24.825 8.300 -16.354 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -26.091 7.825 -15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -25.100 6.166 -17.210 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -26.701 5.991 -16.518 1.00 0.00 H new ATOM 105 N MET A 15 -24.646 8.992 -19.045 1.00 0.00 N ATOM 106 CA MET A 15 -23.593 9.656 -19.865 1.00 0.00 C ATOM 107 C MET A 15 -23.740 11.179 -19.781 1.00 0.00 C ATOM 108 O MET A 15 -24.562 11.770 -20.451 1.00 0.00 O ATOM 109 CB MET A 15 -23.836 9.171 -21.296 1.00 0.00 C ATOM 110 CG MET A 15 -22.646 9.558 -22.176 1.00 0.00 C ATOM 111 SD MET A 15 -21.215 8.542 -21.734 1.00 0.00 S ATOM 112 CE MET A 15 -19.966 9.515 -22.611 1.00 0.00 C ATOM 0 H MET A 15 -24.300 8.330 -18.351 1.00 0.00 H new ATOM 0 HA MET A 15 -22.588 9.414 -19.520 1.00 0.00 H new ATOM 0 HB2 MET A 15 -23.973 8.090 -21.306 1.00 0.00 H new ATOM 0 HB3 MET A 15 -24.752 9.612 -21.690 1.00 0.00 H new ATOM 0 HG2 MET A 15 -22.896 9.416 -23.227 1.00 0.00 H new ATOM 0 HG3 MET A 15 -22.411 10.614 -22.044 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.986 9.059 -22.471 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.206 9.542 -23.674 1.00 0.00 H new ATOM 0 HE3 MET A 15 -19.953 10.531 -22.217 1.00 0.00 H new ATOM 122 N ASP A 16 -22.950 11.817 -18.960 1.00 0.00 N ATOM 123 CA ASP A 16 -23.052 13.298 -18.834 1.00 0.00 C ATOM 124 C ASP A 16 -21.810 13.972 -19.428 1.00 0.00 C ATOM 125 O ASP A 16 -21.766 14.284 -20.601 1.00 0.00 O ATOM 126 CB ASP A 16 -23.173 13.556 -17.329 1.00 0.00 C ATOM 127 CG ASP A 16 -23.136 15.061 -17.061 1.00 0.00 C ATOM 128 OD1 ASP A 16 -23.602 15.806 -17.908 1.00 0.00 O ATOM 129 OD2 ASP A 16 -22.641 15.445 -16.014 1.00 0.00 O ATOM 0 H ASP A 16 -22.241 11.378 -18.373 1.00 0.00 H new ATOM 0 HA ASP A 16 -23.903 13.709 -19.377 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -24.103 13.132 -16.951 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.359 13.062 -16.799 1.00 0.00 H new ATOM 134 N MET A 17 -20.806 14.192 -18.633 1.00 0.00 N ATOM 135 CA MET A 17 -19.564 14.846 -19.150 1.00 0.00 C ATOM 136 C MET A 17 -18.496 14.926 -18.052 1.00 0.00 C ATOM 137 O MET A 17 -17.313 14.868 -18.323 1.00 0.00 O ATOM 138 CB MET A 17 -19.993 16.252 -19.576 1.00 0.00 C ATOM 139 CG MET A 17 -20.549 17.007 -18.367 1.00 0.00 C ATOM 140 SD MET A 17 -20.951 18.706 -18.850 1.00 0.00 S ATOM 141 CE MET A 17 -21.359 19.319 -17.197 1.00 0.00 C ATOM 0 H MET A 17 -20.786 13.948 -17.643 1.00 0.00 H new ATOM 0 HA MET A 17 -19.127 14.284 -19.975 1.00 0.00 H new ATOM 0 HB2 MET A 17 -19.143 16.791 -19.995 1.00 0.00 H new ATOM 0 HB3 MET A 17 -20.749 16.191 -20.359 1.00 0.00 H new ATOM 0 HG2 MET A 17 -21.439 16.505 -17.989 1.00 0.00 H new ATOM 0 HG3 MET A 17 -19.818 17.011 -17.559 1.00 0.00 H new ATOM 0 HE1 MET A 17 -21.642 20.370 -17.258 1.00 0.00 H new ATOM 0 HE2 MET A 17 -22.190 18.743 -16.790 1.00 0.00 H new ATOM 0 HE3 MET A 17 -20.491 19.214 -16.546 1.00 0.00 H new ATOM 151 N SER A 18 -18.901 15.069 -16.815 1.00 0.00 N ATOM 152 CA SER A 18 -17.908 15.163 -15.699 1.00 0.00 C ATOM 153 C SER A 18 -17.022 16.402 -15.883 1.00 0.00 C ATOM 154 O SER A 18 -16.914 16.925 -16.975 1.00 0.00 O ATOM 155 CB SER A 18 -17.071 13.883 -15.774 1.00 0.00 C ATOM 156 OG SER A 18 -17.928 12.776 -16.018 1.00 0.00 O ATOM 0 H SER A 18 -19.878 15.125 -16.528 1.00 0.00 H new ATOM 0 HA SER A 18 -18.396 15.260 -14.729 1.00 0.00 H new ATOM 0 HB2 SER A 18 -16.329 13.966 -16.568 1.00 0.00 H new ATOM 0 HB3 SER A 18 -16.525 13.737 -14.842 1.00 0.00 H new ATOM 0 HG SER A 18 -17.395 11.955 -16.068 1.00 0.00 H new ATOM 162 N PRO A 19 -16.419 16.837 -14.804 1.00 0.00 N ATOM 163 CA PRO A 19 -15.538 18.034 -14.855 1.00 0.00 C ATOM 164 C PRO A 19 -14.242 17.739 -15.612 1.00 0.00 C ATOM 165 O PRO A 19 -13.509 18.636 -15.977 1.00 0.00 O ATOM 166 CB PRO A 19 -15.259 18.337 -13.386 1.00 0.00 C ATOM 167 CG PRO A 19 -15.447 17.031 -12.683 1.00 0.00 C ATOM 168 CD PRO A 19 -16.493 16.268 -13.451 1.00 0.00 C ATOM 0 HA PRO A 19 -15.997 18.871 -15.381 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.248 18.719 -13.246 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.942 19.095 -13.002 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.511 16.474 -12.647 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.764 17.189 -11.652 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.285 15.198 -13.455 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.484 16.399 -13.016 1.00 0.00 H new ATOM 176 N LYS A 20 -13.961 16.491 -15.854 1.00 0.00 N ATOM 177 CA LYS A 20 -12.715 16.110 -16.595 1.00 0.00 C ATOM 178 C LYS A 20 -11.462 16.497 -15.795 1.00 0.00 C ATOM 179 O LYS A 20 -10.751 15.644 -15.306 1.00 0.00 O ATOM 180 CB LYS A 20 -12.769 16.872 -17.926 1.00 0.00 C ATOM 181 CG LYS A 20 -11.893 16.158 -18.957 1.00 0.00 C ATOM 182 CD LYS A 20 -10.436 16.175 -18.490 1.00 0.00 C ATOM 183 CE LYS A 20 -9.509 16.260 -19.705 1.00 0.00 C ATOM 184 NZ LYS A 20 -8.309 15.463 -19.328 1.00 0.00 N ATOM 0 H LYS A 20 -14.545 15.705 -15.569 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.660 15.033 -16.754 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.797 16.929 -18.283 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.423 17.896 -17.786 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.232 15.130 -19.088 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.981 16.649 -19.926 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.265 17.025 -17.829 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.217 15.275 -17.915 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.988 15.855 -20.596 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.243 17.293 -19.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.577 15.570 -20.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.940 15.802 -18.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.571 14.460 -19.244 1.00 0.00 H new ATOM 198 N ALA A 21 -11.181 17.771 -15.662 1.00 0.00 N ATOM 199 CA ALA A 21 -9.967 18.200 -14.897 1.00 0.00 C ATOM 200 C ALA A 21 -9.887 17.450 -13.563 1.00 0.00 C ATOM 201 O ALA A 21 -8.892 16.833 -13.242 1.00 0.00 O ATOM 202 CB ALA A 21 -10.159 19.698 -14.657 1.00 0.00 C ATOM 0 H ALA A 21 -11.739 18.532 -16.050 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.044 17.987 -15.436 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.308 20.089 -14.100 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.234 20.213 -15.615 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.073 19.861 -14.085 1.00 0.00 H new ATOM 208 N LEU A 22 -10.940 17.487 -12.800 1.00 0.00 N ATOM 209 CA LEU A 22 -10.947 16.764 -11.499 1.00 0.00 C ATOM 210 C LEU A 22 -10.913 15.258 -11.764 1.00 0.00 C ATOM 211 O LEU A 22 -9.940 14.588 -11.479 1.00 0.00 O ATOM 212 CB LEU A 22 -12.270 17.180 -10.847 1.00 0.00 C ATOM 213 CG LEU A 22 -12.388 16.616 -9.428 1.00 0.00 C ATOM 214 CD1 LEU A 22 -13.602 17.249 -8.762 1.00 0.00 C ATOM 215 CD2 LEU A 22 -12.595 15.098 -9.469 1.00 0.00 C ATOM 0 H LEU A 22 -11.800 17.989 -13.021 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.092 16.996 -10.864 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.337 18.267 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.104 16.826 -11.453 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.474 16.837 -8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -13.705 16.861 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.474 18.331 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -14.498 17.009 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.677 14.714 -8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.509 14.870 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.747 14.628 -9.967 1.00 0.00 H new ATOM 227 N GLN A 23 -11.979 14.727 -12.303 1.00 0.00 N ATOM 228 CA GLN A 23 -12.044 13.262 -12.596 1.00 0.00 C ATOM 229 C GLN A 23 -10.740 12.770 -13.239 1.00 0.00 C ATOM 230 O GLN A 23 -10.350 11.631 -13.076 1.00 0.00 O ATOM 231 CB GLN A 23 -13.211 13.114 -13.576 1.00 0.00 C ATOM 232 CG GLN A 23 -13.380 11.641 -13.953 1.00 0.00 C ATOM 233 CD GLN A 23 -13.967 11.539 -15.363 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.492 12.181 -16.278 1.00 0.00 O ATOM 235 NE2 GLN A 23 -14.986 10.753 -15.577 1.00 0.00 N ATOM 0 H GLN A 23 -12.817 15.251 -12.556 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.181 12.672 -11.690 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.128 13.492 -13.125 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.026 13.710 -14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.418 11.131 -13.910 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.036 11.144 -13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.385 10.214 -14.808 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.384 10.677 -16.513 1.00 0.00 H new ATOM 244 N GLN A 24 -10.061 13.618 -13.962 1.00 0.00 N ATOM 245 CA GLN A 24 -8.783 13.191 -14.605 1.00 0.00 C ATOM 246 C GLN A 24 -7.643 13.226 -13.583 1.00 0.00 C ATOM 247 O GLN A 24 -6.715 12.445 -13.648 1.00 0.00 O ATOM 248 CB GLN A 24 -8.536 14.210 -15.717 1.00 0.00 C ATOM 249 CG GLN A 24 -7.315 13.788 -16.535 1.00 0.00 C ATOM 250 CD GLN A 24 -6.080 14.539 -16.035 1.00 0.00 C ATOM 251 OE1 GLN A 24 -6.146 15.718 -15.750 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.948 13.901 -15.917 1.00 0.00 N ATOM 0 H GLN A 24 -10.334 14.585 -14.136 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.835 12.173 -14.991 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.412 14.280 -16.362 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.376 15.199 -15.289 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.160 12.713 -16.448 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.480 14.001 -17.591 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.893 12.911 -16.156 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.118 14.392 -15.585 1.00 0.00 H new ATOM 261 N LYS A 25 -7.708 14.126 -12.640 1.00 0.00 N ATOM 262 CA LYS A 25 -6.628 14.211 -11.614 1.00 0.00 C ATOM 263 C LYS A 25 -6.732 13.036 -10.638 1.00 0.00 C ATOM 264 O LYS A 25 -5.763 12.356 -10.366 1.00 0.00 O ATOM 265 CB LYS A 25 -6.874 15.535 -10.889 1.00 0.00 C ATOM 266 CG LYS A 25 -6.143 16.662 -11.621 1.00 0.00 C ATOM 267 CD LYS A 25 -6.954 17.955 -11.508 1.00 0.00 C ATOM 268 CE LYS A 25 -6.178 18.973 -10.669 1.00 0.00 C ATOM 269 NZ LYS A 25 -6.600 20.302 -11.192 1.00 0.00 N ATOM 0 H LYS A 25 -8.461 14.806 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.633 14.168 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.943 15.746 -10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.523 15.468 -9.859 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.151 16.804 -11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.003 16.398 -12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.152 18.361 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.921 17.751 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.413 18.873 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.102 18.831 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.110 21.054 -10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.358 20.371 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.628 20.411 -11.075 1.00 0.00 H new ATOM 283 N ILE A 26 -7.900 12.794 -10.108 1.00 0.00 N ATOM 284 CA ILE A 26 -8.063 11.663 -9.149 1.00 0.00 C ATOM 285 C ILE A 26 -7.697 10.339 -9.825 1.00 0.00 C ATOM 286 O ILE A 26 -6.993 9.521 -9.267 1.00 0.00 O ATOM 287 CB ILE A 26 -9.543 11.679 -8.768 1.00 0.00 C ATOM 288 CG1 ILE A 26 -9.869 12.986 -8.042 1.00 0.00 C ATOM 289 CG2 ILE A 26 -9.844 10.496 -7.844 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.360 13.021 -7.702 1.00 0.00 C ATOM 0 H ILE A 26 -8.747 13.329 -10.297 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.416 11.763 -8.278 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.151 11.602 -9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.275 13.067 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.608 13.838 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.899 10.506 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.611 9.564 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.236 10.574 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.593 13.952 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.944 12.960 -8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.606 12.177 -7.058 1.00 0.00 H new ATOM 302 N HIS A 27 -8.173 10.121 -11.020 1.00 0.00 N ATOM 303 CA HIS A 27 -7.856 8.847 -11.729 1.00 0.00 C ATOM 304 C HIS A 27 -6.341 8.691 -11.894 1.00 0.00 C ATOM 305 O HIS A 27 -5.834 7.599 -12.052 1.00 0.00 O ATOM 306 CB HIS A 27 -8.532 8.975 -13.094 1.00 0.00 C ATOM 307 CG HIS A 27 -8.972 7.617 -13.566 1.00 0.00 C ATOM 308 ND1 HIS A 27 -8.197 6.483 -13.379 1.00 0.00 N ATOM 309 CD2 HIS A 27 -10.104 7.193 -14.218 1.00 0.00 C ATOM 310 CE1 HIS A 27 -8.866 5.442 -13.909 1.00 0.00 C ATOM 311 NE2 HIS A 27 -10.034 5.821 -14.434 1.00 0.00 N ATOM 0 H HIS A 27 -8.768 10.769 -11.537 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.206 7.973 -11.179 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.390 9.643 -13.025 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.842 9.416 -13.813 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.286 6.444 -12.923 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.924 7.829 -14.518 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.503 4.425 -13.910 1.00 0.00 H new ATOM 319 N GLU A 28 -5.614 9.775 -11.859 1.00 0.00 N ATOM 320 CA GLU A 28 -4.134 9.684 -12.015 1.00 0.00 C ATOM 321 C GLU A 28 -3.485 9.268 -10.692 1.00 0.00 C ATOM 322 O GLU A 28 -2.493 8.566 -10.671 1.00 0.00 O ATOM 323 CB GLU A 28 -3.689 11.093 -12.411 1.00 0.00 C ATOM 324 CG GLU A 28 -4.041 11.345 -13.879 1.00 0.00 C ATOM 325 CD GLU A 28 -3.052 10.600 -14.777 1.00 0.00 C ATOM 326 OE1 GLU A 28 -2.435 9.664 -14.296 1.00 0.00 O ATOM 327 OE2 GLU A 28 -2.930 10.977 -15.932 1.00 0.00 O ATOM 0 H GLU A 28 -5.980 10.718 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.843 8.941 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.178 11.832 -11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.615 11.203 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.058 11.009 -14.083 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.009 12.413 -14.093 1.00 0.00 H new ATOM 334 N LEU A 29 -4.036 9.694 -9.589 1.00 0.00 N ATOM 335 CA LEU A 29 -3.450 9.322 -8.270 1.00 0.00 C ATOM 336 C LEU A 29 -3.852 7.892 -7.897 1.00 0.00 C ATOM 337 O LEU A 29 -3.070 7.140 -7.352 1.00 0.00 O ATOM 338 CB LEU A 29 -4.042 10.323 -7.277 1.00 0.00 C ATOM 339 CG LEU A 29 -3.456 11.711 -7.541 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.433 12.780 -7.051 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.128 11.854 -6.792 1.00 0.00 C ATOM 0 H LEU A 29 -4.867 10.284 -9.544 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.360 9.353 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.127 10.350 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.822 10.012 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.287 11.836 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.015 13.769 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.379 12.679 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.602 12.655 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.709 12.843 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.298 11.729 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.430 11.093 -7.140 1.00 0.00 H new ATOM 353 N GLU A 30 -5.067 7.514 -8.185 1.00 0.00 N ATOM 354 CA GLU A 30 -5.518 6.133 -7.846 1.00 0.00 C ATOM 355 C GLU A 30 -4.578 5.100 -8.476 1.00 0.00 C ATOM 356 O GLU A 30 -4.172 4.147 -7.841 1.00 0.00 O ATOM 357 CB GLU A 30 -6.920 6.017 -8.443 1.00 0.00 C ATOM 358 CG GLU A 30 -7.764 5.072 -7.584 1.00 0.00 C ATOM 359 CD GLU A 30 -8.698 4.260 -8.483 1.00 0.00 C ATOM 360 OE1 GLU A 30 -9.124 4.793 -9.495 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.971 3.120 -8.145 1.00 0.00 O ATOM 0 H GLU A 30 -5.767 8.100 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.516 5.950 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.389 7.000 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.862 5.642 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.116 4.403 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.345 5.643 -6.860 1.00 0.00 H new ATOM 368 N GLY A 31 -4.228 5.284 -9.720 1.00 0.00 N ATOM 369 CA GLY A 31 -3.317 4.313 -10.388 1.00 0.00 C ATOM 370 C GLY A 31 -1.917 4.425 -9.782 1.00 0.00 C ATOM 371 O GLY A 31 -1.161 3.475 -9.760 1.00 0.00 O ATOM 0 H GLY A 31 -4.534 6.064 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.697 3.299 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.278 4.512 -11.459 1.00 0.00 H new ATOM 375 N LEU A 32 -1.565 5.581 -9.288 1.00 0.00 N ATOM 376 CA LEU A 32 -0.213 5.753 -8.683 1.00 0.00 C ATOM 377 C LEU A 32 -0.020 4.762 -7.531 1.00 0.00 C ATOM 378 O LEU A 32 1.028 4.165 -7.382 1.00 0.00 O ATOM 379 CB LEU A 32 -0.192 7.192 -8.167 1.00 0.00 C ATOM 380 CG LEU A 32 1.148 7.842 -8.518 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.333 7.843 -10.037 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.164 9.283 -8.004 1.00 0.00 C ATOM 0 H LEU A 32 -2.155 6.413 -9.277 1.00 0.00 H new ATOM 0 HA LEU A 32 0.589 5.566 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.010 7.760 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.342 7.204 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 32 1.957 7.279 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.288 8.306 -10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.320 6.817 -10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.524 8.406 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.118 9.748 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.354 9.845 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.031 9.285 -6.922 1.00 0.00 H new ATOM 394 N MET A 33 -1.023 4.582 -6.716 1.00 0.00 N ATOM 395 CA MET A 33 -0.897 3.629 -5.575 1.00 0.00 C ATOM 396 C MET A 33 -0.515 2.236 -6.085 1.00 0.00 C ATOM 397 O MET A 33 0.321 1.563 -5.516 1.00 0.00 O ATOM 398 CB MET A 33 -2.284 3.595 -4.932 1.00 0.00 C ATOM 399 CG MET A 33 -2.397 4.710 -3.890 1.00 0.00 C ATOM 400 SD MET A 33 -4.068 5.406 -3.931 1.00 0.00 S ATOM 401 CE MET A 33 -4.967 3.881 -3.554 1.00 0.00 C ATOM 0 H MET A 33 -1.925 5.053 -6.790 1.00 0.00 H new ATOM 0 HA MET A 33 -0.124 3.934 -4.870 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.052 3.718 -5.695 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.454 2.626 -4.462 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.179 4.318 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.662 5.489 -4.094 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.928 3.889 -4.068 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.384 3.023 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.131 3.812 -2.479 1.00 0.00 H new ATOM 411 N MET A 34 -1.126 1.798 -7.151 1.00 0.00 N ATOM 412 CA MET A 34 -0.808 0.447 -7.700 1.00 0.00 C ATOM 413 C MET A 34 0.704 0.280 -7.882 1.00 0.00 C ATOM 414 O MET A 34 1.250 -0.782 -7.663 1.00 0.00 O ATOM 415 CB MET A 34 -1.516 0.396 -9.054 1.00 0.00 C ATOM 416 CG MET A 34 -1.822 -1.057 -9.417 1.00 0.00 C ATOM 417 SD MET A 34 -3.588 -1.381 -9.183 1.00 0.00 S ATOM 418 CE MET A 34 -3.461 -2.161 -7.556 1.00 0.00 C ATOM 0 H MET A 34 -1.835 2.318 -7.668 1.00 0.00 H new ATOM 0 HA MET A 34 -1.133 -0.352 -7.033 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.439 0.974 -9.015 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.888 0.849 -9.821 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.540 -1.251 -10.452 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.233 -1.730 -8.794 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.629 -3.234 -7.653 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.467 -1.985 -7.145 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.210 -1.735 -6.889 1.00 0.00 H new ATOM 428 N GLN A 35 1.382 1.318 -8.286 1.00 0.00 N ATOM 429 CA GLN A 35 2.856 1.214 -8.488 1.00 0.00 C ATOM 430 C GLN A 35 3.553 0.812 -7.182 1.00 0.00 C ATOM 431 O GLN A 35 3.935 -0.327 -6.997 1.00 0.00 O ATOM 432 CB GLN A 35 3.292 2.615 -8.927 1.00 0.00 C ATOM 433 CG GLN A 35 4.818 2.675 -9.025 1.00 0.00 C ATOM 434 CD GLN A 35 5.229 2.912 -10.479 1.00 0.00 C ATOM 435 OE1 GLN A 35 5.794 2.042 -11.113 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.968 4.061 -11.039 1.00 0.00 N ATOM 0 H GLN A 35 0.980 2.234 -8.485 1.00 0.00 H new ATOM 0 HA GLN A 35 3.118 0.454 -9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.846 2.859 -9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.935 3.358 -8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.202 3.476 -8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.253 1.744 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.494 4.791 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.238 4.229 -12.008 1.00 0.00 H new ATOM 445 N HIS A 36 3.731 1.741 -6.284 1.00 0.00 N ATOM 446 CA HIS A 36 4.414 1.420 -4.997 1.00 0.00 C ATOM 447 C HIS A 36 3.723 0.250 -4.288 1.00 0.00 C ATOM 448 O HIS A 36 4.356 -0.717 -3.915 1.00 0.00 O ATOM 449 CB HIS A 36 4.295 2.694 -4.167 1.00 0.00 C ATOM 450 CG HIS A 36 5.494 3.569 -4.414 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.892 4.548 -3.519 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.391 3.622 -5.452 1.00 0.00 C ATOM 453 CE1 HIS A 36 6.985 5.144 -4.029 1.00 0.00 C ATOM 454 NE2 HIS A 36 7.331 4.618 -5.207 1.00 0.00 N ATOM 0 H HIS A 36 3.433 2.711 -6.385 1.00 0.00 H new ATOM 0 HA HIS A 36 5.450 1.118 -5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.382 3.228 -4.430 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.225 2.445 -3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.370 2.987 -6.326 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.518 5.949 -3.545 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.116 4.888 -5.800 1.00 0.00 H new ATOM 462 N ALA A 37 2.430 0.332 -4.093 1.00 0.00 N ATOM 463 CA ALA A 37 1.694 -0.776 -3.404 1.00 0.00 C ATOM 464 C ALA A 37 2.113 -2.133 -3.984 1.00 0.00 C ATOM 465 O ALA A 37 2.129 -3.135 -3.296 1.00 0.00 O ATOM 466 CB ALA A 37 0.215 -0.505 -3.687 1.00 0.00 C ATOM 0 H ALA A 37 1.850 1.120 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 37 1.905 -0.810 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.393 -1.276 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.059 0.471 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.043 -0.516 -4.763 1.00 0.00 H new ATOM 472 N GLN A 38 2.467 -2.166 -5.240 1.00 0.00 N ATOM 473 CA GLN A 38 2.903 -3.450 -5.858 1.00 0.00 C ATOM 474 C GLN A 38 4.359 -3.728 -5.480 1.00 0.00 C ATOM 475 O GLN A 38 4.758 -4.858 -5.286 1.00 0.00 O ATOM 476 CB GLN A 38 2.770 -3.234 -7.366 1.00 0.00 C ATOM 477 CG GLN A 38 1.374 -3.665 -7.823 1.00 0.00 C ATOM 478 CD GLN A 38 1.383 -3.905 -9.334 1.00 0.00 C ATOM 479 OE1 GLN A 38 2.340 -3.578 -10.008 1.00 0.00 O ATOM 480 NE2 GLN A 38 0.349 -4.467 -9.899 1.00 0.00 N ATOM 0 H GLN A 38 2.473 -1.359 -5.864 1.00 0.00 H new ATOM 0 HA GLN A 38 2.310 -4.301 -5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.936 -2.185 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.531 -3.808 -7.895 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.074 -4.574 -7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.644 -2.896 -7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.454 -4.742 -9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.345 -4.631 -10.906 1.00 0.00 H new ATOM 489 N ASN A 39 5.152 -2.698 -5.363 1.00 0.00 N ATOM 490 CA ASN A 39 6.579 -2.892 -4.983 1.00 0.00 C ATOM 491 C ASN A 39 6.738 -2.707 -3.471 1.00 0.00 C ATOM 492 O ASN A 39 7.797 -2.369 -2.982 1.00 0.00 O ATOM 493 CB ASN A 39 7.346 -1.807 -5.741 1.00 0.00 C ATOM 494 CG ASN A 39 7.544 -2.243 -7.194 1.00 0.00 C ATOM 495 OD1 ASN A 39 7.100 -3.303 -7.588 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.196 -1.463 -8.012 1.00 0.00 N ATOM 0 H ASN A 39 4.872 -1.729 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 39 6.945 -3.889 -5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.798 -0.866 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.312 -1.632 -5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.333 -1.743 -8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.568 -0.573 -7.680 1.00 0.00 H new ATOM 503 N LEU A 40 5.683 -2.926 -2.733 1.00 0.00 N ATOM 504 CA LEU A 40 5.749 -2.767 -1.252 1.00 0.00 C ATOM 505 C LEU A 40 6.271 -1.377 -0.883 1.00 0.00 C ATOM 506 O LEU A 40 6.876 -1.185 0.154 1.00 0.00 O ATOM 507 CB LEU A 40 6.715 -3.853 -0.774 1.00 0.00 C ATOM 508 CG LEU A 40 6.043 -5.221 -0.896 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.385 -5.840 -2.252 1.00 0.00 C ATOM 510 CD2 LEU A 40 6.547 -6.137 0.223 1.00 0.00 C ATOM 0 H LEU A 40 4.773 -3.210 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 40 4.768 -2.864 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.628 -3.830 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.004 -3.668 0.261 1.00 0.00 H new ATOM 0 HG LEU A 40 4.963 -5.103 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.906 -6.815 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.028 -5.189 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.465 -5.958 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.069 -7.113 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.627 -6.254 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.304 -5.697 1.190 1.00 0.00 H new ATOM 522 N GLU A 41 6.034 -0.402 -1.716 1.00 0.00 N ATOM 523 CA GLU A 41 6.505 0.978 -1.403 1.00 0.00 C ATOM 524 C GLU A 41 5.314 1.862 -1.016 1.00 0.00 C ATOM 525 O GLU A 41 5.393 3.074 -1.050 1.00 0.00 O ATOM 526 CB GLU A 41 7.150 1.480 -2.695 1.00 0.00 C ATOM 527 CG GLU A 41 8.443 0.703 -2.956 1.00 0.00 C ATOM 528 CD GLU A 41 9.482 1.635 -3.582 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.081 2.610 -4.195 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.661 1.359 -3.436 1.00 0.00 O ATOM 0 H GLU A 41 5.535 -0.500 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 41 7.204 0.999 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.462 1.353 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.363 2.546 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.826 0.289 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.246 -0.138 -3.621 1.00 0.00 H new ATOM 537 N PHE A 42 4.209 1.259 -0.656 1.00 0.00 N ATOM 538 CA PHE A 42 3.002 2.044 -0.276 1.00 0.00 C ATOM 539 C PHE A 42 3.258 2.938 0.941 1.00 0.00 C ATOM 540 O PHE A 42 2.427 3.751 1.283 1.00 0.00 O ATOM 541 CB PHE A 42 1.926 1.004 0.048 1.00 0.00 C ATOM 542 CG PHE A 42 2.419 0.039 1.104 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.650 0.486 2.427 1.00 0.00 C ATOM 544 CD2 PHE A 42 2.632 -1.319 0.774 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.097 -0.423 3.411 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.074 -2.225 1.759 1.00 0.00 C ATOM 547 CZ PHE A 42 3.308 -1.776 3.078 1.00 0.00 C ATOM 0 H PHE A 42 4.094 0.247 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 42 2.706 2.714 -1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.023 1.504 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.658 0.457 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.484 1.522 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.456 -1.663 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.277 -0.081 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.234 -3.263 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.649 -2.470 3.832 1.00 0.00 H new ATOM 557 N GLU A 43 4.383 2.817 1.604 1.00 0.00 N ATOM 558 CA GLU A 43 4.637 3.695 2.788 1.00 0.00 C ATOM 559 C GLU A 43 4.350 5.151 2.411 1.00 0.00 C ATOM 560 O GLU A 43 3.396 5.749 2.867 1.00 0.00 O ATOM 561 CB GLU A 43 6.119 3.504 3.116 1.00 0.00 C ATOM 562 CG GLU A 43 6.510 4.427 4.270 1.00 0.00 C ATOM 563 CD GLU A 43 8.011 4.717 4.208 1.00 0.00 C ATOM 564 OE1 GLU A 43 8.461 5.188 3.176 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.685 4.461 5.191 1.00 0.00 O ATOM 0 H GLU A 43 5.128 2.157 1.380 1.00 0.00 H new ATOM 0 HA GLU A 43 4.004 3.448 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.312 2.466 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.728 3.724 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.947 5.358 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.258 3.962 5.223 1.00 0.00 H new ATOM 572 N GLU A 44 5.153 5.706 1.553 1.00 0.00 N ATOM 573 CA GLU A 44 4.916 7.107 1.107 1.00 0.00 C ATOM 574 C GLU A 44 3.850 7.124 0.001 1.00 0.00 C ATOM 575 O GLU A 44 3.255 8.144 -0.287 1.00 0.00 O ATOM 576 CB GLU A 44 6.264 7.585 0.564 1.00 0.00 C ATOM 577 CG GLU A 44 6.712 6.669 -0.576 1.00 0.00 C ATOM 578 CD GLU A 44 7.716 7.409 -1.462 1.00 0.00 C ATOM 579 OE1 GLU A 44 8.893 7.378 -1.144 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.290 7.995 -2.444 1.00 0.00 O ATOM 0 H GLU A 44 5.966 5.251 1.139 1.00 0.00 H new ATOM 0 HA GLU A 44 4.556 7.748 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.180 8.612 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.009 7.583 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.165 5.764 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.850 6.358 -1.166 1.00 0.00 H new ATOM 587 N ALA A 45 3.623 6.000 -0.630 1.00 0.00 N ATOM 588 CA ALA A 45 2.618 5.936 -1.733 1.00 0.00 C ATOM 589 C ALA A 45 1.187 5.894 -1.190 1.00 0.00 C ATOM 590 O ALA A 45 0.336 6.654 -1.606 1.00 0.00 O ATOM 591 CB ALA A 45 2.942 4.636 -2.472 1.00 0.00 C ATOM 0 H ALA A 45 4.094 5.118 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 45 2.671 6.815 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.249 4.507 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.962 4.679 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.847 3.794 -1.786 1.00 0.00 H new ATOM 597 N ALA A 46 0.906 5.007 -0.276 1.00 0.00 N ATOM 598 CA ALA A 46 -0.479 4.917 0.272 1.00 0.00 C ATOM 599 C ALA A 46 -0.968 6.296 0.713 1.00 0.00 C ATOM 600 O ALA A 46 -2.152 6.554 0.763 1.00 0.00 O ATOM 601 CB ALA A 46 -0.388 3.966 1.466 1.00 0.00 C ATOM 0 H ALA A 46 1.573 4.342 0.115 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.188 4.555 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.374 3.854 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.030 2.993 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.305 4.372 2.203 1.00 0.00 H new ATOM 607 N GLN A 47 -0.070 7.194 1.023 1.00 0.00 N ATOM 608 CA GLN A 47 -0.505 8.556 1.445 1.00 0.00 C ATOM 609 C GLN A 47 -1.454 9.138 0.396 1.00 0.00 C ATOM 610 O GLN A 47 -2.362 9.882 0.707 1.00 0.00 O ATOM 611 CB GLN A 47 0.774 9.384 1.528 1.00 0.00 C ATOM 612 CG GLN A 47 1.658 8.851 2.657 1.00 0.00 C ATOM 613 CD GLN A 47 1.364 9.624 3.944 1.00 0.00 C ATOM 614 OE1 GLN A 47 0.479 10.456 3.977 1.00 0.00 O ATOM 615 NE2 GLN A 47 2.074 9.385 5.012 1.00 0.00 N ATOM 0 H GLN A 47 0.939 7.044 1.002 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.036 8.546 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.311 9.339 0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.530 10.431 1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.471 7.788 2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.710 8.955 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.817 8.687 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.886 9.896 5.874 1.00 0.00 H new ATOM 624 N ILE A 48 -1.260 8.785 -0.849 1.00 0.00 N ATOM 625 CA ILE A 48 -2.163 9.300 -1.919 1.00 0.00 C ATOM 626 C ILE A 48 -3.609 8.985 -1.541 1.00 0.00 C ATOM 627 O ILE A 48 -4.529 9.687 -1.911 1.00 0.00 O ATOM 628 CB ILE A 48 -1.755 8.545 -3.185 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.315 8.913 -3.555 1.00 0.00 C ATOM 630 CG2 ILE A 48 -2.688 8.927 -4.336 1.00 0.00 C ATOM 631 CD1 ILE A 48 0.255 7.854 -4.501 1.00 0.00 C ATOM 0 H ILE A 48 -0.517 8.164 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.086 10.378 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.824 7.472 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.290 9.893 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.297 8.980 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.395 8.387 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.714 8.666 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.621 10.000 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.280 8.115 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.244 6.882 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.352 7.809 -5.405 1.00 0.00 H new ATOM 643 N ARG A 49 -3.808 7.939 -0.785 1.00 0.00 N ATOM 644 CA ARG A 49 -5.190 7.577 -0.351 1.00 0.00 C ATOM 645 C ARG A 49 -5.863 8.808 0.269 1.00 0.00 C ATOM 646 O ARG A 49 -7.050 9.020 0.124 1.00 0.00 O ATOM 647 CB ARG A 49 -4.989 6.464 0.686 1.00 0.00 C ATOM 648 CG ARG A 49 -6.287 6.211 1.463 1.00 0.00 C ATOM 649 CD ARG A 49 -6.033 6.425 2.958 1.00 0.00 C ATOM 650 NE ARG A 49 -5.543 7.829 3.076 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.254 8.713 3.721 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.507 8.897 3.407 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.711 9.412 4.679 1.00 0.00 N ATOM 0 H ARG A 49 -3.072 7.318 -0.448 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.830 7.246 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.672 5.548 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.193 6.742 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.070 6.885 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.639 5.195 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.944 6.276 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.295 5.718 3.337 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.654 8.097 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.931 8.350 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.063 9.588 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.731 9.267 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.266 10.103 5.184 1.00 0.00 H new ATOM 667 N ASP A 50 -5.104 9.626 0.947 1.00 0.00 N ATOM 668 CA ASP A 50 -5.691 10.849 1.560 1.00 0.00 C ATOM 669 C ASP A 50 -6.147 11.800 0.454 1.00 0.00 C ATOM 670 O ASP A 50 -7.151 12.474 0.573 1.00 0.00 O ATOM 671 CB ASP A 50 -4.556 11.471 2.375 1.00 0.00 C ATOM 672 CG ASP A 50 -5.111 12.602 3.243 1.00 0.00 C ATOM 673 OD1 ASP A 50 -5.554 13.591 2.682 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.084 12.460 4.454 1.00 0.00 O ATOM 0 H ASP A 50 -4.104 9.499 1.102 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.559 10.634 2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.087 10.713 3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.784 11.855 1.709 1.00 0.00 H new ATOM 679 N GLN A 51 -5.419 11.850 -0.630 1.00 0.00 N ATOM 680 CA GLN A 51 -5.816 12.747 -1.752 1.00 0.00 C ATOM 681 C GLN A 51 -6.985 12.124 -2.518 1.00 0.00 C ATOM 682 O GLN A 51 -7.894 12.804 -2.948 1.00 0.00 O ATOM 683 CB GLN A 51 -4.577 12.841 -2.644 1.00 0.00 C ATOM 684 CG GLN A 51 -3.382 13.313 -1.814 1.00 0.00 C ATOM 685 CD GLN A 51 -2.115 13.268 -2.670 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.083 12.806 -2.225 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.149 13.731 -3.889 1.00 0.00 N ATOM 0 H GLN A 51 -4.568 11.309 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.140 13.730 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.362 11.869 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.759 13.535 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.554 14.327 -1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.263 12.679 -0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.015 14.119 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.310 13.705 -4.468 1.00 0.00 H new ATOM 696 N LEU A 52 -6.968 10.828 -2.682 1.00 0.00 N ATOM 697 CA LEU A 52 -8.079 10.152 -3.412 1.00 0.00 C ATOM 698 C LEU A 52 -9.373 10.249 -2.599 1.00 0.00 C ATOM 699 O LEU A 52 -10.432 10.524 -3.126 1.00 0.00 O ATOM 700 CB LEU A 52 -7.635 8.694 -3.541 1.00 0.00 C ATOM 701 CG LEU A 52 -7.694 8.267 -5.010 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.132 8.385 -5.518 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.784 9.174 -5.842 1.00 0.00 C ATOM 0 H LEU A 52 -6.233 10.208 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.276 10.605 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.621 8.577 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.279 8.053 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.360 7.234 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.174 8.081 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.781 7.740 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.467 9.418 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.826 8.870 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.118 10.207 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.759 9.091 -5.481 1.00 0.00 H new ATOM 715 N HIS A 53 -9.292 10.025 -1.315 1.00 0.00 N ATOM 716 CA HIS A 53 -10.514 10.105 -0.464 1.00 0.00 C ATOM 717 C HIS A 53 -10.950 11.565 -0.309 1.00 0.00 C ATOM 718 O HIS A 53 -12.124 11.879 -0.341 1.00 0.00 O ATOM 719 CB HIS A 53 -10.094 9.525 0.886 1.00 0.00 C ATOM 720 CG HIS A 53 -11.303 9.390 1.773 1.00 0.00 C ATOM 721 ND1 HIS A 53 -11.926 8.172 1.991 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.011 10.312 2.503 1.00 0.00 C ATOM 723 CE1 HIS A 53 -12.963 8.390 2.822 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.060 9.678 3.165 1.00 0.00 N ATOM 0 H HIS A 53 -8.432 9.790 -0.819 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.356 9.564 -0.895 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.623 8.552 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.354 10.172 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.789 11.368 2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.634 7.618 3.169 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.753 10.105 3.779 1.00 0.00 H new ATOM 732 N GLN A 54 -10.014 12.459 -0.143 1.00 0.00 N ATOM 733 CA GLN A 54 -10.376 13.897 0.011 1.00 0.00 C ATOM 734 C GLN A 54 -10.932 14.443 -1.306 1.00 0.00 C ATOM 735 O GLN A 54 -11.929 15.137 -1.330 1.00 0.00 O ATOM 736 CB GLN A 54 -9.066 14.598 0.373 1.00 0.00 C ATOM 737 CG GLN A 54 -9.310 16.103 0.495 1.00 0.00 C ATOM 738 CD GLN A 54 -8.555 16.647 1.709 1.00 0.00 C ATOM 739 OE1 GLN A 54 -8.299 15.925 2.653 1.00 0.00 O ATOM 740 NE2 GLN A 54 -8.184 17.898 1.726 1.00 0.00 N ATOM 0 H GLN A 54 -9.015 12.256 -0.107 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.143 14.053 0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.678 14.204 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.313 14.402 -0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.977 16.610 -0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.377 16.302 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.398 18.504 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.680 18.269 2.531 1.00 0.00 H new ATOM 749 N LEU A 55 -10.297 14.132 -2.403 1.00 0.00 N ATOM 750 CA LEU A 55 -10.792 14.631 -3.718 1.00 0.00 C ATOM 751 C LEU A 55 -12.215 14.127 -3.970 1.00 0.00 C ATOM 752 O LEU A 55 -12.969 14.714 -4.721 1.00 0.00 O ATOM 753 CB LEU A 55 -9.827 14.052 -4.752 1.00 0.00 C ATOM 754 CG LEU A 55 -8.627 14.987 -4.911 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.369 14.162 -5.194 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.880 15.944 -6.079 1.00 0.00 C ATOM 0 H LEU A 55 -9.457 13.554 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.827 15.720 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.492 13.063 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.334 13.928 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.488 15.558 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.514 14.829 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.188 13.478 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.507 13.591 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.026 16.611 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.019 15.371 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.776 16.532 -5.880 1.00 0.00 H new ATOM 768 N ARG A 56 -12.589 13.044 -3.344 1.00 0.00 N ATOM 769 CA ARG A 56 -13.964 12.503 -3.546 1.00 0.00 C ATOM 770 C ARG A 56 -15.004 13.595 -3.282 1.00 0.00 C ATOM 771 O ARG A 56 -15.914 13.801 -4.060 1.00 0.00 O ATOM 772 CB ARG A 56 -14.100 11.374 -2.523 1.00 0.00 C ATOM 773 CG ARG A 56 -15.492 10.751 -2.628 1.00 0.00 C ATOM 774 CD ARG A 56 -15.964 10.318 -1.238 1.00 0.00 C ATOM 775 NE ARG A 56 -17.380 9.898 -1.427 1.00 0.00 N ATOM 776 CZ ARG A 56 -17.991 9.225 -0.489 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.189 7.943 -0.630 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.405 9.835 0.587 1.00 0.00 N ATOM 0 H ARG A 56 -12.003 12.511 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.124 12.150 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.337 10.616 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.938 11.760 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.192 11.469 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.468 9.893 -3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.357 9.499 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.887 11.136 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.872 10.136 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.867 7.467 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.666 7.417 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.252 10.838 0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.882 9.310 1.320 1.00 0.00 H new ATOM 792 N GLU A 57 -14.875 14.297 -2.189 1.00 0.00 N ATOM 793 CA GLU A 57 -15.854 15.379 -1.878 1.00 0.00 C ATOM 794 C GLU A 57 -15.789 16.468 -2.950 1.00 0.00 C ATOM 795 O GLU A 57 -16.798 16.947 -3.426 1.00 0.00 O ATOM 796 CB GLU A 57 -15.418 15.935 -0.521 1.00 0.00 C ATOM 797 CG GLU A 57 -15.322 14.795 0.496 1.00 0.00 C ATOM 798 CD GLU A 57 -15.574 15.342 1.902 1.00 0.00 C ATOM 799 OE1 GLU A 57 -15.349 16.523 2.106 1.00 0.00 O ATOM 800 OE2 GLU A 57 -15.987 14.569 2.751 1.00 0.00 O ATOM 0 H GLU A 57 -14.135 14.169 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.881 15.014 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.454 16.434 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.132 16.683 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.052 14.020 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.337 14.331 0.446 1.00 0.00 H new ATOM 807 N LEU A 58 -14.605 16.863 -3.332 1.00 0.00 N ATOM 808 CA LEU A 58 -14.472 17.920 -4.375 1.00 0.00 C ATOM 809 C LEU A 58 -15.187 17.490 -5.658 1.00 0.00 C ATOM 810 O LEU A 58 -15.555 18.306 -6.479 1.00 0.00 O ATOM 811 CB LEU A 58 -12.967 18.050 -4.616 1.00 0.00 C ATOM 812 CG LEU A 58 -12.459 19.349 -3.988 1.00 0.00 C ATOM 813 CD1 LEU A 58 -10.972 19.209 -3.657 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.653 20.502 -4.976 1.00 0.00 C ATOM 0 H LEU A 58 -13.724 16.500 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.918 18.865 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.444 17.196 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.758 18.045 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.017 19.553 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.610 20.135 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.831 18.387 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.414 19.005 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.291 21.428 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.094 20.297 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.712 20.603 -5.214 1.00 0.00 H new ATOM 826 N PHE A 59 -15.387 16.212 -5.837 1.00 0.00 N ATOM 827 CA PHE A 59 -16.079 15.730 -7.067 1.00 0.00 C ATOM 828 C PHE A 59 -17.416 16.455 -7.239 1.00 0.00 C ATOM 829 O PHE A 59 -17.758 16.901 -8.317 1.00 0.00 O ATOM 830 CB PHE A 59 -16.303 14.235 -6.836 1.00 0.00 C ATOM 831 CG PHE A 59 -16.679 13.575 -8.140 1.00 0.00 C ATOM 832 CD1 PHE A 59 -17.935 13.839 -8.731 1.00 0.00 C ATOM 833 CD2 PHE A 59 -15.773 12.692 -8.772 1.00 0.00 C ATOM 834 CE1 PHE A 59 -18.286 13.221 -9.952 1.00 0.00 C ATOM 835 CE2 PHE A 59 -16.125 12.074 -9.993 1.00 0.00 C ATOM 836 CZ PHE A 59 -17.381 12.338 -10.582 1.00 0.00 C ATOM 0 H PHE A 59 -15.101 15.481 -5.185 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.498 15.919 -7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.399 13.779 -6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.092 14.084 -6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -18.627 14.514 -8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.812 12.490 -8.322 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -19.246 13.424 -10.404 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.433 11.400 -10.476 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.650 11.865 -11.515 1.00 0.00 H new ATOM 846 N ILE A 60 -18.175 16.576 -6.185 1.00 0.00 N ATOM 847 CA ILE A 60 -19.489 17.273 -6.288 1.00 0.00 C ATOM 848 C ILE A 60 -19.279 18.788 -6.343 1.00 0.00 C ATOM 849 O ILE A 60 -19.992 19.500 -7.022 1.00 0.00 O ATOM 850 CB ILE A 60 -20.246 16.881 -5.019 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.492 15.371 -5.019 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.586 17.615 -4.977 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.906 14.920 -3.618 1.00 0.00 C ATOM 0 H ILE A 60 -17.943 16.223 -5.257 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.035 16.995 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.655 17.154 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.271 15.119 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -19.589 14.845 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.126 17.335 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.412 18.691 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.178 17.343 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.081 13.844 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.112 15.158 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.820 15.436 -3.325 1.00 0.00 H new ATOM 865 N ALA A 61 -18.303 19.287 -5.634 1.00 0.00 N ATOM 866 CA ALA A 61 -18.048 20.756 -5.646 1.00 0.00 C ATOM 867 C ALA A 61 -17.715 21.220 -7.067 1.00 0.00 C ATOM 868 O ALA A 61 -17.895 22.371 -7.411 1.00 0.00 O ATOM 869 CB ALA A 61 -16.847 20.957 -4.721 1.00 0.00 C ATOM 0 H ALA A 61 -17.672 18.741 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.915 21.330 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.596 22.017 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.094 20.600 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.994 20.398 -5.105 1.00 0.00 H new ATOM 875 N ALA A 62 -17.233 20.333 -7.892 1.00 0.00 N ATOM 876 CA ALA A 62 -16.889 20.723 -9.290 1.00 0.00 C ATOM 877 C ALA A 62 -18.117 20.584 -10.194 1.00 0.00 C ATOM 878 O ALA A 62 -18.721 21.561 -10.593 1.00 0.00 O ATOM 879 CB ALA A 62 -15.796 19.744 -9.718 1.00 0.00 C ATOM 0 H ALA A 62 -17.062 19.355 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 62 -16.558 21.759 -9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.488 19.966 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.939 19.841 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.180 18.725 -9.668 1.00 0.00 H new ATOM 885 N SER A 63 -18.494 19.378 -10.518 1.00 0.00 N ATOM 886 CA SER A 63 -19.684 19.179 -11.395 1.00 0.00 C ATOM 887 C SER A 63 -20.923 18.881 -10.546 1.00 0.00 C ATOM 888 O SER A 63 -21.648 17.963 -10.890 1.00 0.00 O ATOM 889 CB SER A 63 -19.334 17.975 -12.270 1.00 0.00 C ATOM 890 OG SER A 63 -19.296 16.804 -11.464 1.00 0.00 O ATOM 891 OXT SER A 63 -21.126 19.579 -9.566 1.00 0.00 O ATOM 0 H SER A 63 -18.030 18.522 -10.214 1.00 0.00 H new ATOM 0 HA SER A 63 -19.911 20.064 -11.990 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.073 17.861 -13.063 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.369 18.130 -12.753 1.00 0.00 H new ATOM 0 HG SER A 63 -20.191 16.623 -11.108 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 26.109 -7.882 -1.319 1.00 0.00 N ATOM 899 CA LEU B 8 25.974 -9.215 -0.665 1.00 0.00 C ATOM 900 C LEU B 8 24.893 -10.042 -1.365 1.00 0.00 C ATOM 901 O LEU B 8 23.724 -9.708 -1.333 1.00 0.00 O ATOM 902 CB LEU B 8 25.566 -8.908 0.777 1.00 0.00 C ATOM 903 CG LEU B 8 26.789 -9.011 1.687 1.00 0.00 C ATOM 904 CD1 LEU B 8 26.944 -7.715 2.485 1.00 0.00 C ATOM 905 CD2 LEU B 8 26.608 -10.184 2.654 1.00 0.00 C ATOM 0 HA LEU B 8 26.896 -9.794 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU B 8 25.137 -7.908 0.839 1.00 0.00 H new ATOM 0 HB3 LEU B 8 24.796 -9.607 1.105 1.00 0.00 H new ATOM 0 HG LEU B 8 27.679 -9.173 1.079 1.00 0.00 H new ATOM 0 HD11 LEU B 8 27.817 -7.789 3.134 1.00 0.00 H new ATOM 0 HD12 LEU B 8 27.073 -6.878 1.798 1.00 0.00 H new ATOM 0 HD13 LEU B 8 26.053 -7.553 3.092 1.00 0.00 H new ATOM 0 HD21 LEU B 8 27.480 -10.258 3.303 1.00 0.00 H new ATOM 0 HD22 LEU B 8 25.717 -10.022 3.260 1.00 0.00 H new ATOM 0 HD23 LEU B 8 26.498 -11.109 2.088 1.00 0.00 H new ATOM 917 N GLU B 9 25.272 -11.118 -1.998 1.00 0.00 N ATOM 918 CA GLU B 9 24.265 -11.965 -2.700 1.00 0.00 C ATOM 919 C GLU B 9 24.603 -13.451 -2.518 1.00 0.00 C ATOM 920 O GLU B 9 25.042 -14.099 -3.446 1.00 0.00 O ATOM 921 CB GLU B 9 24.370 -11.566 -4.172 1.00 0.00 C ATOM 922 CG GLU B 9 23.016 -11.772 -4.854 1.00 0.00 C ATOM 923 CD GLU B 9 23.232 -12.047 -6.343 1.00 0.00 C ATOM 924 OE1 GLU B 9 23.309 -11.090 -7.096 1.00 0.00 O ATOM 925 OE2 GLU B 9 23.314 -13.208 -6.705 1.00 0.00 O ATOM 0 H GLU B 9 26.235 -11.448 -2.060 1.00 0.00 H new ATOM 0 HA GLU B 9 23.258 -11.819 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU B 9 24.677 -10.523 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU B 9 25.134 -12.164 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU B 9 22.487 -12.606 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU B 9 22.393 -10.888 -4.723 1.00 0.00 H new ATOM 932 N PRO B 10 24.388 -13.944 -1.323 1.00 0.00 N ATOM 933 CA PRO B 10 24.678 -15.369 -1.029 1.00 0.00 C ATOM 934 C PRO B 10 23.633 -16.274 -1.690 1.00 0.00 C ATOM 935 O PRO B 10 23.965 -17.231 -2.359 1.00 0.00 O ATOM 936 CB PRO B 10 24.583 -15.450 0.492 1.00 0.00 C ATOM 937 CG PRO B 10 23.689 -14.319 0.886 1.00 0.00 C ATOM 938 CD PRO B 10 23.863 -13.235 -0.147 1.00 0.00 C ATOM 0 HA PRO B 10 25.647 -15.696 -1.407 1.00 0.00 H new ATOM 0 HB2 PRO B 10 24.171 -16.408 0.811 1.00 0.00 H new ATOM 0 HB3 PRO B 10 25.566 -15.355 0.954 1.00 0.00 H new ATOM 0 HG2 PRO B 10 22.650 -14.646 0.929 1.00 0.00 H new ATOM 0 HG3 PRO B 10 23.949 -13.951 1.878 1.00 0.00 H new ATOM 0 HD2 PRO B 10 22.918 -12.740 -0.369 1.00 0.00 H new ATOM 0 HD3 PRO B 10 24.554 -12.465 0.196 1.00 0.00 H new ATOM 946 N ASP B 11 22.373 -15.973 -1.505 1.00 0.00 N ATOM 947 CA ASP B 11 21.291 -16.807 -2.116 1.00 0.00 C ATOM 948 C ASP B 11 21.370 -18.247 -1.598 1.00 0.00 C ATOM 949 O ASP B 11 20.648 -18.634 -0.701 1.00 0.00 O ATOM 950 CB ASP B 11 21.537 -16.763 -3.628 1.00 0.00 C ATOM 951 CG ASP B 11 20.413 -15.976 -4.304 1.00 0.00 C ATOM 952 OD1 ASP B 11 19.367 -16.558 -4.537 1.00 0.00 O ATOM 953 OD2 ASP B 11 20.619 -14.805 -4.578 1.00 0.00 O ATOM 0 H ASP B 11 22.044 -15.180 -0.954 1.00 0.00 H new ATOM 0 HA ASP B 11 20.300 -16.432 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP B 11 22.499 -16.296 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP B 11 21.580 -17.775 -4.030 1.00 0.00 H new ATOM 958 N ASN B 12 22.242 -19.041 -2.155 1.00 0.00 N ATOM 959 CA ASN B 12 22.365 -20.454 -1.693 1.00 0.00 C ATOM 960 C ASN B 12 23.840 -20.865 -1.644 1.00 0.00 C ATOM 961 O ASN B 12 24.173 -22.031 -1.724 1.00 0.00 O ATOM 962 CB ASN B 12 21.613 -21.280 -2.738 1.00 0.00 C ATOM 963 CG ASN B 12 21.161 -22.602 -2.116 1.00 0.00 C ATOM 964 OD1 ASN B 12 19.986 -22.913 -2.112 1.00 0.00 O ATOM 965 ND2 ASN B 12 22.049 -23.397 -1.586 1.00 0.00 N ATOM 0 H ASN B 12 22.875 -18.774 -2.909 1.00 0.00 H new ATOM 0 HA ASN B 12 21.960 -20.599 -0.692 1.00 0.00 H new ATOM 0 HB2 ASN B 12 20.750 -20.724 -3.104 1.00 0.00 H new ATOM 0 HB3 ASN B 12 22.256 -21.471 -3.597 1.00 0.00 H new ATOM 0 HD21 ASN B 12 21.758 -24.280 -1.168 1.00 0.00 H new ATOM 0 HD22 ASN B 12 23.035 -23.135 -1.590 1.00 0.00 H new ATOM 972 N VAL B 13 24.725 -19.916 -1.514 1.00 0.00 N ATOM 973 CA VAL B 13 26.176 -20.254 -1.461 1.00 0.00 C ATOM 974 C VAL B 13 26.536 -20.811 -0.069 1.00 0.00 C ATOM 975 O VAL B 13 27.019 -21.921 0.038 1.00 0.00 O ATOM 976 CB VAL B 13 26.890 -18.923 -1.775 1.00 0.00 C ATOM 977 CG1 VAL B 13 28.274 -18.860 -1.113 1.00 0.00 C ATOM 978 CG2 VAL B 13 27.061 -18.799 -3.291 1.00 0.00 C ATOM 0 H VAL B 13 24.507 -18.922 -1.442 1.00 0.00 H new ATOM 0 HA VAL B 13 26.471 -21.030 -2.168 1.00 0.00 H new ATOM 0 HB VAL B 13 26.284 -18.107 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL B 13 28.750 -17.910 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL B 13 28.165 -18.947 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL B 13 28.891 -19.679 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL B 13 27.565 -17.861 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL B 13 27.658 -19.633 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL B 13 26.082 -18.814 -3.770 1.00 0.00 H new ATOM 988 N PRO B 14 26.289 -20.029 0.954 1.00 0.00 N ATOM 989 CA PRO B 14 26.600 -20.477 2.333 1.00 0.00 C ATOM 990 C PRO B 14 25.573 -21.512 2.796 1.00 0.00 C ATOM 991 O PRO B 14 25.916 -22.557 3.311 1.00 0.00 O ATOM 992 CB PRO B 14 26.487 -19.201 3.161 1.00 0.00 C ATOM 993 CG PRO B 14 25.564 -18.316 2.387 1.00 0.00 C ATOM 994 CD PRO B 14 25.712 -18.679 0.932 1.00 0.00 C ATOM 0 HA PRO B 14 27.578 -20.950 2.419 1.00 0.00 H new ATOM 0 HB2 PRO B 14 26.092 -19.410 4.155 1.00 0.00 H new ATOM 0 HB3 PRO B 14 27.461 -18.732 3.297 1.00 0.00 H new ATOM 0 HG2 PRO B 14 24.534 -18.454 2.715 1.00 0.00 H new ATOM 0 HG3 PRO B 14 25.812 -17.267 2.549 1.00 0.00 H new ATOM 0 HD2 PRO B 14 24.751 -18.665 0.418 1.00 0.00 H new ATOM 0 HD3 PRO B 14 26.362 -17.977 0.410 1.00 0.00 H new ATOM 1002 N MET B 15 24.312 -21.227 2.614 1.00 0.00 N ATOM 1003 CA MET B 15 23.255 -22.187 3.041 1.00 0.00 C ATOM 1004 C MET B 15 23.433 -22.544 4.520 1.00 0.00 C ATOM 1005 O MET B 15 24.253 -23.367 4.876 1.00 0.00 O ATOM 1006 CB MET B 15 23.459 -23.423 2.163 1.00 0.00 C ATOM 1007 CG MET B 15 22.259 -24.359 2.310 1.00 0.00 C ATOM 1008 SD MET B 15 20.818 -23.625 1.498 1.00 0.00 S ATOM 1009 CE MET B 15 19.570 -24.726 2.210 1.00 0.00 C ATOM 0 H MET B 15 23.968 -20.367 2.186 1.00 0.00 H new ATOM 0 HA MET B 15 22.253 -21.772 2.931 1.00 0.00 H new ATOM 0 HB2 MET B 15 23.576 -23.126 1.121 1.00 0.00 H new ATOM 0 HB3 MET B 15 24.374 -23.940 2.452 1.00 0.00 H new ATOM 0 HG2 MET B 15 22.485 -25.329 1.867 1.00 0.00 H new ATOM 0 HG3 MET B 15 22.046 -24.532 3.365 1.00 0.00 H new ATOM 0 HE1 MET B 15 18.584 -24.448 1.837 1.00 0.00 H new ATOM 0 HE2 MET B 15 19.788 -25.755 1.926 1.00 0.00 H new ATOM 0 HE3 MET B 15 19.585 -24.639 3.296 1.00 0.00 H new ATOM 1019 N ASP B 16 22.674 -21.930 5.386 1.00 0.00 N ATOM 1020 CA ASP B 16 22.805 -22.234 6.838 1.00 0.00 C ATOM 1021 C ASP B 16 21.565 -22.977 7.344 1.00 0.00 C ATOM 1022 O ASP B 16 21.504 -24.190 7.310 1.00 0.00 O ATOM 1023 CB ASP B 16 22.964 -20.866 7.513 1.00 0.00 C ATOM 1024 CG ASP B 16 22.961 -21.040 9.033 1.00 0.00 C ATOM 1025 OD1 ASP B 16 23.424 -22.071 9.492 1.00 0.00 O ATOM 1026 OD2 ASP B 16 22.496 -20.139 9.710 1.00 0.00 O ATOM 0 H ASP B 16 21.969 -21.231 5.150 1.00 0.00 H new ATOM 0 HA ASP B 16 23.651 -22.885 7.056 1.00 0.00 H new ATOM 0 HB2 ASP B 16 23.894 -20.397 7.192 1.00 0.00 H new ATOM 0 HB3 ASP B 16 22.153 -20.204 7.211 1.00 0.00 H new ATOM 1031 N MET B 17 20.582 -22.265 7.807 1.00 0.00 N ATOM 1032 CA MET B 17 19.343 -22.930 8.315 1.00 0.00 C ATOM 1033 C MET B 17 18.300 -21.885 8.733 1.00 0.00 C ATOM 1034 O MET B 17 17.111 -22.111 8.629 1.00 0.00 O ATOM 1035 CB MET B 17 19.791 -23.746 9.531 1.00 0.00 C ATOM 1036 CG MET B 17 20.385 -22.812 10.586 1.00 0.00 C ATOM 1037 SD MET B 17 20.810 -23.765 12.065 1.00 0.00 S ATOM 1038 CE MET B 17 21.264 -22.364 13.116 1.00 0.00 C ATOM 0 H MET B 17 20.578 -21.246 7.858 1.00 0.00 H new ATOM 0 HA MET B 17 18.879 -23.553 7.551 1.00 0.00 H new ATOM 0 HB2 MET B 17 18.944 -24.290 9.948 1.00 0.00 H new ATOM 0 HB3 MET B 17 20.530 -24.489 9.231 1.00 0.00 H new ATOM 0 HG2 MET B 17 21.273 -22.318 10.191 1.00 0.00 H new ATOM 0 HG3 MET B 17 19.670 -22.029 10.838 1.00 0.00 H new ATOM 0 HE1 MET B 17 21.566 -22.729 14.098 1.00 0.00 H new ATOM 0 HE2 MET B 17 22.092 -21.821 12.660 1.00 0.00 H new ATOM 0 HE3 MET B 17 20.408 -21.698 13.224 1.00 0.00 H new ATOM 1048 N SER B 18 18.733 -20.747 9.213 1.00 0.00 N ATOM 1049 CA SER B 18 17.766 -19.691 9.647 1.00 0.00 C ATOM 1050 C SER B 18 16.900 -20.209 10.802 1.00 0.00 C ATOM 1051 O SER B 18 16.779 -21.403 10.994 1.00 0.00 O ATOM 1052 CB SER B 18 16.902 -19.385 8.419 1.00 0.00 C ATOM 1053 OG SER B 18 17.732 -19.313 7.267 1.00 0.00 O ATOM 0 H SER B 18 19.717 -20.502 9.324 1.00 0.00 H new ATOM 0 HA SER B 18 18.277 -18.797 10.005 1.00 0.00 H new ATOM 0 HB2 SER B 18 16.147 -20.160 8.289 1.00 0.00 H new ATOM 0 HB3 SER B 18 16.372 -18.443 8.559 1.00 0.00 H new ATOM 0 HG SER B 18 17.182 -19.119 6.479 1.00 0.00 H new ATOM 1059 N PRO B 19 16.327 -19.291 11.542 1.00 0.00 N ATOM 1060 CA PRO B 19 15.470 -19.669 12.696 1.00 0.00 C ATOM 1061 C PRO B 19 14.152 -20.291 12.229 1.00 0.00 C ATOM 1062 O PRO B 19 13.429 -20.888 13.002 1.00 0.00 O ATOM 1063 CB PRO B 19 15.226 -18.345 13.412 1.00 0.00 C ATOM 1064 CG PRO B 19 15.403 -17.300 12.357 1.00 0.00 C ATOM 1065 CD PRO B 19 16.418 -17.832 11.382 1.00 0.00 C ATOM 0 HA PRO B 19 15.935 -20.418 13.336 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.225 -18.307 13.842 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.931 -18.203 14.231 1.00 0.00 H new ATOM 0 HG2 PRO B 19 14.457 -17.093 11.856 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.743 -16.362 12.796 1.00 0.00 H new ATOM 0 HD2 PRO B 19 16.190 -17.527 10.361 1.00 0.00 H new ATOM 0 HD3 PRO B 19 17.420 -17.466 11.608 1.00 0.00 H new ATOM 1073 N LYS B 20 13.842 -20.163 10.971 1.00 0.00 N ATOM 1074 CA LYS B 20 12.574 -20.746 10.426 1.00 0.00 C ATOM 1075 C LYS B 20 11.345 -20.072 11.055 1.00 0.00 C ATOM 1076 O LYS B 20 10.628 -19.350 10.394 1.00 0.00 O ATOM 1077 CB LYS B 20 12.616 -22.239 10.772 1.00 0.00 C ATOM 1078 CG LYS B 20 11.705 -23.011 9.815 1.00 0.00 C ATOM 1079 CD LYS B 20 10.259 -22.548 10.001 1.00 0.00 C ATOM 1080 CE LYS B 20 9.309 -23.722 9.758 1.00 0.00 C ATOM 1081 NZ LYS B 20 8.101 -23.116 9.130 1.00 0.00 N ATOM 0 H LYS B 20 14.417 -19.674 10.284 1.00 0.00 H new ATOM 0 HA LYS B 20 12.495 -20.589 9.350 1.00 0.00 H new ATOM 0 HB2 LYS B 20 13.638 -22.612 10.698 1.00 0.00 H new ATOM 0 HB3 LYS B 20 12.294 -22.394 11.802 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.021 -22.848 8.785 1.00 0.00 H new ATOM 0 HG3 LYS B 20 11.783 -24.081 10.006 1.00 0.00 H new ATOM 0 HD2 LYS B 20 10.119 -22.156 11.008 1.00 0.00 H new ATOM 0 HD3 LYS B 20 10.035 -21.736 9.309 1.00 0.00 H new ATOM 0 HE2 LYS B 20 9.762 -24.468 9.104 1.00 0.00 H new ATOM 0 HE3 LYS B 20 9.058 -24.226 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 7.345 -23.828 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 7.777 -22.313 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 8.337 -22.784 8.173 1.00 0.00 H new ATOM 1095 N ALA B 21 11.091 -20.305 12.320 1.00 0.00 N ATOM 1096 CA ALA B 21 9.902 -19.677 12.979 1.00 0.00 C ATOM 1097 C ALA B 21 9.836 -18.184 12.644 1.00 0.00 C ATOM 1098 O ALA B 21 8.836 -17.686 12.168 1.00 0.00 O ATOM 1099 CB ALA B 21 10.128 -19.879 14.478 1.00 0.00 C ATOM 0 H ALA B 21 11.655 -20.902 12.925 1.00 0.00 H new ATOM 0 HA ALA B 21 8.964 -20.119 12.644 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.297 -19.445 15.033 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.192 -20.945 14.696 1.00 0.00 H new ATOM 0 HB3 ALA B 21 11.057 -19.391 14.775 1.00 0.00 H new ATOM 1105 N LEU B 22 10.905 -17.478 12.871 1.00 0.00 N ATOM 1106 CA LEU B 22 10.925 -16.025 12.550 1.00 0.00 C ATOM 1107 C LEU B 22 10.855 -15.847 11.033 1.00 0.00 C ATOM 1108 O LEU B 22 9.876 -15.369 10.496 1.00 0.00 O ATOM 1109 CB LEU B 22 12.269 -15.538 13.103 1.00 0.00 C ATOM 1110 CG LEU B 22 12.405 -14.018 12.964 1.00 0.00 C ATOM 1111 CD1 LEU B 22 13.644 -13.579 13.732 1.00 0.00 C ATOM 1112 CD2 LEU B 22 12.581 -13.628 11.494 1.00 0.00 C ATOM 0 H LEU B 22 11.770 -17.846 13.267 1.00 0.00 H new ATOM 0 HA LEU B 22 10.089 -15.470 12.975 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.357 -15.820 14.152 1.00 0.00 H new ATOM 0 HB3 LEU B 22 13.084 -16.029 12.571 1.00 0.00 H new ATOM 0 HG LEU B 22 11.507 -13.538 13.354 1.00 0.00 H new ATOM 0 HD11 LEU B 22 13.761 -12.499 13.647 1.00 0.00 H new ATOM 0 HD12 LEU B 22 13.536 -13.851 14.782 1.00 0.00 H new ATOM 0 HD13 LEU B 22 14.523 -14.073 13.318 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.676 -12.545 11.414 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.479 -14.101 11.097 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.713 -13.959 10.923 1.00 0.00 H new ATOM 1124 N GLN B 23 11.901 -16.227 10.344 1.00 0.00 N ATOM 1125 CA GLN B 23 11.931 -16.091 8.854 1.00 0.00 C ATOM 1126 C GLN B 23 10.604 -16.546 8.232 1.00 0.00 C ATOM 1127 O GLN B 23 10.196 -16.059 7.196 1.00 0.00 O ATOM 1128 CB GLN B 23 13.074 -17.002 8.405 1.00 0.00 C ATOM 1129 CG GLN B 23 13.207 -16.946 6.881 1.00 0.00 C ATOM 1130 CD GLN B 23 13.762 -18.275 6.366 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.282 -19.329 6.732 1.00 0.00 O ATOM 1132 NE2 GLN B 23 14.762 -18.270 5.527 1.00 0.00 N ATOM 0 H GLN B 23 12.744 -16.630 10.753 1.00 0.00 H new ATOM 0 HA GLN B 23 12.075 -15.057 8.542 1.00 0.00 H new ATOM 0 HB2 GLN B 23 14.007 -16.689 8.873 1.00 0.00 H new ATOM 0 HB3 GLN B 23 12.884 -18.026 8.726 1.00 0.00 H new ATOM 0 HG2 GLN B 23 12.236 -16.746 6.428 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.868 -16.128 6.593 1.00 0.00 H new ATOM 0 HE21 GLN B 23 15.165 -17.385 5.219 1.00 0.00 H new ATOM 0 HE22 GLN B 23 15.140 -19.151 5.179 1.00 0.00 H new ATOM 1141 N GLN B 24 9.927 -17.472 8.854 1.00 0.00 N ATOM 1142 CA GLN B 24 8.629 -17.947 8.293 1.00 0.00 C ATOM 1143 C GLN B 24 7.511 -16.962 8.646 1.00 0.00 C ATOM 1144 O GLN B 24 6.566 -16.788 7.902 1.00 0.00 O ATOM 1145 CB GLN B 24 8.379 -19.302 8.958 1.00 0.00 C ATOM 1146 CG GLN B 24 7.133 -19.947 8.348 1.00 0.00 C ATOM 1147 CD GLN B 24 5.922 -19.665 9.241 1.00 0.00 C ATOM 1148 OE1 GLN B 24 6.018 -19.730 10.451 1.00 0.00 O ATOM 1149 NE2 GLN B 24 4.781 -19.354 8.692 1.00 0.00 N ATOM 0 H GLN B 24 10.215 -17.920 9.724 1.00 0.00 H new ATOM 0 HA GLN B 24 8.653 -18.026 7.206 1.00 0.00 H new ATOM 0 HB2 GLN B 24 9.243 -19.952 8.820 1.00 0.00 H new ATOM 0 HB3 GLN B 24 8.246 -19.173 10.032 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.960 -19.552 7.347 1.00 0.00 H new ATOM 0 HG3 GLN B 24 7.280 -21.022 8.246 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.702 -19.300 7.677 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.968 -19.165 9.278 1.00 0.00 H new ATOM 1158 N LYS B 25 7.612 -16.317 9.777 1.00 0.00 N ATOM 1159 CA LYS B 25 6.555 -15.345 10.177 1.00 0.00 C ATOM 1160 C LYS B 25 6.657 -14.074 9.328 1.00 0.00 C ATOM 1161 O LYS B 25 5.681 -13.605 8.778 1.00 0.00 O ATOM 1162 CB LYS B 25 6.842 -15.031 11.645 1.00 0.00 C ATOM 1163 CG LYS B 25 6.118 -16.044 12.535 1.00 0.00 C ATOM 1164 CD LYS B 25 6.956 -16.317 13.786 1.00 0.00 C ATOM 1165 CE LYS B 25 6.218 -15.794 15.020 1.00 0.00 C ATOM 1166 NZ LYS B 25 6.654 -16.681 16.134 1.00 0.00 N ATOM 0 H LYS B 25 8.380 -16.421 10.440 1.00 0.00 H new ATOM 0 HA LYS B 25 5.551 -15.744 10.033 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.915 -15.068 11.833 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.511 -14.020 11.883 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.138 -15.660 12.818 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.951 -16.971 11.987 1.00 0.00 H new ATOM 0 HD2 LYS B 25 7.141 -17.386 13.886 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.928 -15.832 13.698 1.00 0.00 H new ATOM 0 HE2 LYS B 25 6.473 -14.753 15.221 1.00 0.00 H new ATOM 0 HE3 LYS B 25 5.138 -15.836 14.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 6.189 -16.385 17.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 6.392 -17.664 15.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 7.686 -16.615 16.247 1.00 0.00 H new ATOM 1180 N ILE B 26 7.830 -13.514 9.218 1.00 0.00 N ATOM 1181 CA ILE B 26 7.992 -12.275 8.405 1.00 0.00 C ATOM 1182 C ILE B 26 7.586 -12.537 6.952 1.00 0.00 C ATOM 1183 O ILE B 26 6.878 -11.759 6.345 1.00 0.00 O ATOM 1184 CB ILE B 26 9.480 -11.934 8.492 1.00 0.00 C ATOM 1185 CG1 ILE B 26 9.845 -11.617 9.944 1.00 0.00 C ATOM 1186 CG2 ILE B 26 9.776 -10.715 7.616 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.343 -11.322 10.039 1.00 0.00 C ATOM 0 H ILE B 26 8.684 -13.861 9.656 1.00 0.00 H new ATOM 0 HA ILE B 26 7.365 -11.460 8.767 1.00 0.00 H new ATOM 0 HB ILE B 26 10.069 -12.783 8.145 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.271 -10.760 10.296 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.587 -12.458 10.587 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.837 -10.472 7.678 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.515 -10.938 6.582 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.188 -9.866 7.964 1.00 0.00 H new ATOM 0 HD11 ILE B 26 11.604 -11.096 11.073 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.907 -12.192 9.704 1.00 0.00 H new ATOM 0 HD13 ILE B 26 11.586 -10.467 9.408 1.00 0.00 H new ATOM 1199 N HIS B 27 8.033 -13.627 6.389 1.00 0.00 N ATOM 1200 CA HIS B 27 7.677 -13.937 4.975 1.00 0.00 C ATOM 1201 C HIS B 27 6.156 -14.029 4.816 1.00 0.00 C ATOM 1202 O HIS B 27 5.624 -13.861 3.736 1.00 0.00 O ATOM 1203 CB HIS B 27 8.327 -15.292 4.691 1.00 0.00 C ATOM 1204 CG HIS B 27 8.731 -15.361 3.244 1.00 0.00 C ATOM 1205 ND1 HIS B 27 7.938 -14.846 2.231 1.00 0.00 N ATOM 1206 CD2 HIS B 27 9.840 -15.881 2.625 1.00 0.00 C ATOM 1207 CE1 HIS B 27 8.575 -15.065 1.066 1.00 0.00 C ATOM 1208 NE2 HIS B 27 9.739 -15.693 1.249 1.00 0.00 N ATOM 0 H HIS B 27 8.629 -14.316 6.847 1.00 0.00 H new ATOM 0 HA HIS B 27 8.021 -13.166 4.286 1.00 0.00 H new ATOM 0 HB2 HIS B 27 9.199 -15.430 5.330 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.630 -16.097 4.924 1.00 0.00 H new ATOM 0 HD1 HIS B 27 7.036 -14.385 2.347 1.00 0.00 H new ATOM 0 HD2 HIS B 27 10.665 -16.363 3.128 1.00 0.00 H new ATOM 0 HE1 HIS B 27 8.191 -14.769 0.101 1.00 0.00 H new ATOM 1216 N GLU B 28 5.452 -14.295 5.882 1.00 0.00 N ATOM 1217 CA GLU B 28 3.966 -14.398 5.787 1.00 0.00 C ATOM 1218 C GLU B 28 3.336 -13.002 5.781 1.00 0.00 C ATOM 1219 O GLU B 28 2.332 -12.766 5.139 1.00 0.00 O ATOM 1220 CB GLU B 28 3.541 -15.174 7.034 1.00 0.00 C ATOM 1221 CG GLU B 28 3.867 -16.657 6.848 1.00 0.00 C ATOM 1222 CD GLU B 28 2.846 -17.290 5.901 1.00 0.00 C ATOM 1223 OE1 GLU B 28 2.221 -16.553 5.157 1.00 0.00 O ATOM 1224 OE2 GLU B 28 2.707 -18.502 5.936 1.00 0.00 O ATOM 0 H GLU B 28 5.839 -14.445 6.813 1.00 0.00 H new ATOM 0 HA GLU B 28 3.645 -14.893 4.870 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.057 -14.784 7.911 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.473 -15.045 7.209 1.00 0.00 H new ATOM 0 HG2 GLU B 28 4.873 -16.771 6.444 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.851 -17.167 7.811 1.00 0.00 H new ATOM 1231 N LEU B 29 3.919 -12.075 6.491 1.00 0.00 N ATOM 1232 CA LEU B 29 3.353 -10.696 6.527 1.00 0.00 C ATOM 1233 C LEU B 29 3.735 -9.936 5.254 1.00 0.00 C ATOM 1234 O LEU B 29 2.949 -9.187 4.706 1.00 0.00 O ATOM 1235 CB LEU B 29 3.984 -10.039 7.754 1.00 0.00 C ATOM 1236 CG LEU B 29 3.420 -10.680 9.023 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.429 -10.530 10.163 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.112 -9.986 9.406 1.00 0.00 C ATOM 0 H LEU B 29 4.763 -12.213 7.048 1.00 0.00 H new ATOM 0 HA LEU B 29 2.264 -10.698 6.582 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.067 -10.156 7.725 1.00 0.00 H new ATOM 0 HB3 LEU B 29 3.779 -8.969 7.752 1.00 0.00 H new ATOM 0 HG LEU B 29 3.231 -11.738 8.842 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.027 -10.987 11.067 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.362 -11.024 9.891 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.618 -9.472 10.344 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.709 -10.442 10.310 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.301 -8.928 9.587 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.392 -10.093 8.594 1.00 0.00 H new ATOM 1250 N GLU B 30 4.937 -10.121 4.779 1.00 0.00 N ATOM 1251 CA GLU B 30 5.367 -9.407 3.542 1.00 0.00 C ATOM 1252 C GLU B 30 4.395 -9.702 2.396 1.00 0.00 C ATOM 1253 O GLU B 30 3.984 -8.815 1.673 1.00 0.00 O ATOM 1254 CB GLU B 30 6.755 -9.965 3.225 1.00 0.00 C ATOM 1255 CG GLU B 30 7.597 -8.884 2.545 1.00 0.00 C ATOM 1256 CD GLU B 30 8.497 -9.527 1.488 1.00 0.00 C ATOM 1257 OE1 GLU B 30 8.913 -10.654 1.698 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.754 -8.881 0.485 1.00 0.00 O ATOM 0 H GLU B 30 5.639 -10.734 5.193 1.00 0.00 H new ATOM 0 HA GLU B 30 5.383 -8.325 3.674 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.243 -10.298 4.141 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.669 -10.836 2.575 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.948 -8.141 2.082 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.203 -8.361 3.285 1.00 0.00 H new ATOM 1265 N GLY B 31 4.024 -10.941 2.224 1.00 0.00 N ATOM 1266 CA GLY B 31 3.079 -11.291 1.126 1.00 0.00 C ATOM 1267 C GLY B 31 1.694 -10.722 1.441 1.00 0.00 C ATOM 1268 O GLY B 31 0.921 -10.419 0.555 1.00 0.00 O ATOM 0 H GLY B 31 4.334 -11.726 2.796 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.441 -10.890 0.179 1.00 0.00 H new ATOM 0 HA3 GLY B 31 3.022 -12.374 1.013 1.00 0.00 H new ATOM 1272 N LEU B 32 1.376 -10.575 2.698 1.00 0.00 N ATOM 1273 CA LEU B 32 0.040 -10.025 3.068 1.00 0.00 C ATOM 1274 C LEU B 32 -0.148 -8.635 2.453 1.00 0.00 C ATOM 1275 O LEU B 32 -1.204 -8.306 1.949 1.00 0.00 O ATOM 1276 CB LEU B 32 0.057 -9.942 4.596 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.277 -10.445 5.150 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -1.493 -11.897 4.721 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.254 -10.364 6.678 1.00 0.00 C ATOM 0 H LEU B 32 1.982 -10.811 3.484 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.779 -10.645 2.704 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.877 -10.540 4.994 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.230 -8.913 4.913 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.088 -9.828 4.763 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.444 -12.255 5.116 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.506 -11.957 3.633 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.683 -12.515 5.108 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.204 -10.722 7.076 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.443 -10.982 7.063 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.099 -9.330 6.985 1.00 0.00 H new ATOM 1291 N MET B 33 0.867 -7.816 2.489 1.00 0.00 N ATOM 1292 CA MET B 33 0.747 -6.448 1.904 1.00 0.00 C ATOM 1293 C MET B 33 0.327 -6.534 0.434 1.00 0.00 C ATOM 1294 O MET B 33 -0.510 -5.784 -0.028 1.00 0.00 O ATOM 1295 CB MET B 33 2.146 -5.843 2.022 1.00 0.00 C ATOM 1296 CG MET B 33 2.302 -5.165 3.385 1.00 0.00 C ATOM 1297 SD MET B 33 3.984 -5.429 4.001 1.00 0.00 S ATOM 1298 CE MET B 33 4.862 -4.644 2.624 1.00 0.00 C ATOM 0 H MET B 33 1.775 -8.034 2.898 1.00 0.00 H new ATOM 0 HA MET B 33 -0.005 -5.847 2.416 1.00 0.00 H new ATOM 0 HB2 MET B 33 2.900 -6.621 1.904 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.308 -5.118 1.224 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.099 -4.098 3.298 1.00 0.00 H new ATOM 0 HG3 MET B 33 1.577 -5.571 4.090 1.00 0.00 H new ATOM 0 HE1 MET B 33 5.835 -5.118 2.495 1.00 0.00 H new ATOM 0 HE2 MET B 33 4.279 -4.757 1.710 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.001 -3.584 2.838 1.00 0.00 H new ATOM 1308 N MET B 34 0.907 -7.439 -0.305 1.00 0.00 N ATOM 1309 CA MET B 34 0.552 -7.575 -1.748 1.00 0.00 C ATOM 1310 C MET B 34 -0.966 -7.679 -1.923 1.00 0.00 C ATOM 1311 O MET B 34 -1.528 -7.158 -2.865 1.00 0.00 O ATOM 1312 CB MET B 34 1.229 -8.869 -2.199 1.00 0.00 C ATOM 1313 CG MET B 34 1.498 -8.808 -3.704 1.00 0.00 C ATOM 1314 SD MET B 34 3.261 -8.517 -3.993 1.00 0.00 S ATOM 1315 CE MET B 34 3.151 -6.733 -4.268 1.00 0.00 C ATOM 0 H MET B 34 1.615 -8.093 0.029 1.00 0.00 H new ATOM 0 HA MET B 34 0.877 -6.713 -2.332 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.164 -9.010 -1.657 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.594 -9.724 -1.967 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.191 -9.741 -4.177 1.00 0.00 H new ATOM 0 HG3 MET B 34 0.908 -8.011 -4.157 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.450 -6.503 -5.291 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.125 -6.403 -4.108 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.811 -6.216 -3.572 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.633 -8.353 -1.028 1.00 0.00 N ATOM 1326 CA GLN B 35 -3.112 -8.496 -1.150 1.00 0.00 C ATOM 1327 C GLN B 35 -3.791 -7.119 -1.146 1.00 0.00 C ATOM 1328 O GLN B 35 -4.190 -6.610 -2.174 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.530 -9.311 0.077 1.00 0.00 C ATOM 1330 CG GLN B 35 -5.057 -9.400 0.144 1.00 0.00 C ATOM 1331 CD GLN B 35 -5.493 -10.855 -0.034 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -6.087 -11.205 -1.034 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -5.220 -11.724 0.901 1.00 0.00 N ATOM 0 H GLN B 35 -1.218 -8.811 -0.217 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.403 -8.981 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -3.100 -10.311 0.024 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -3.143 -8.845 0.983 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -5.412 -9.018 1.101 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -5.502 -8.778 -0.633 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.721 -11.430 1.741 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -5.505 -12.697 0.792 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.931 -6.522 0.005 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.593 -5.187 0.083 1.00 0.00 C ATOM 1344 C HIS B 36 -3.911 -4.182 -0.852 1.00 0.00 C ATOM 1345 O HIS B 36 -4.555 -3.541 -1.658 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.432 -4.758 1.538 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.618 -5.228 2.334 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.980 -4.644 3.538 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.536 -6.225 2.111 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -7.070 -5.289 3.990 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -7.452 -6.262 3.158 1.00 0.00 N ATOM 0 H HIS B 36 -3.615 -6.901 0.898 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.638 -5.231 -0.223 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.514 -5.176 1.952 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.345 -3.673 1.601 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.546 -6.881 1.253 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -7.575 -5.049 4.914 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -8.244 -6.895 3.267 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.612 -4.038 -0.749 1.00 0.00 N ATOM 1360 CA ALA B 37 -1.884 -3.071 -1.632 1.00 0.00 C ATOM 1361 C ALA B 37 -2.340 -3.231 -3.088 1.00 0.00 C ATOM 1362 O ALA B 37 -2.363 -2.286 -3.849 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.407 -3.442 -1.489 1.00 0.00 C ATOM 0 H ALA B 37 -2.023 -4.549 -0.091 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.075 -2.034 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.197 -2.778 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.106 -3.341 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.258 -4.473 -1.811 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.719 -4.421 -3.470 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.192 -4.640 -4.866 1.00 0.00 C ATOM 1371 C GLN B 38 -4.643 -4.174 -4.991 1.00 0.00 C ATOM 1372 O GLN B 38 -5.057 -3.653 -6.008 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.088 -6.148 -5.094 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.711 -6.484 -5.671 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.756 -7.862 -6.331 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -2.721 -8.587 -6.187 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -0.746 -8.258 -7.057 1.00 0.00 N ATOM 0 H GLN B 38 -2.721 -5.250 -2.876 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.607 -4.085 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.240 -6.680 -4.155 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.871 -6.478 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.417 -5.729 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.961 -6.472 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN B 38 0.064 -7.650 -7.178 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -0.767 -9.175 -7.503 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.417 -4.349 -3.953 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.840 -3.909 -3.995 1.00 0.00 C ATOM 1388 C ASN B 39 -6.962 -2.511 -3.381 1.00 0.00 C ATOM 1389 O ASN B 39 -8.005 -2.123 -2.891 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.599 -4.935 -3.153 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.836 -6.199 -3.979 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -7.422 -6.281 -5.119 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.490 -7.197 -3.450 1.00 0.00 N ATOM 0 H ASN B 39 -5.123 -4.779 -3.076 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.233 -3.853 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.030 -5.176 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.551 -4.519 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.653 -8.045 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.838 -7.129 -2.494 1.00 0.00 H new ATOM 1400 N LEU B 40 -5.897 -1.756 -3.404 1.00 0.00 N ATOM 1401 CA LEU B 40 -5.931 -0.382 -2.826 1.00 0.00 C ATOM 1402 C LEU B 40 -6.418 -0.419 -1.376 1.00 0.00 C ATOM 1403 O LEU B 40 -6.997 0.529 -0.882 1.00 0.00 O ATOM 1404 CB LEU B 40 -6.907 0.401 -3.707 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.265 0.666 -5.069 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.648 -0.452 -6.040 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -6.764 2.006 -5.614 1.00 0.00 C ATOM 0 H LEU B 40 -4.999 -2.034 -3.801 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.943 0.078 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.832 -0.162 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.170 1.344 -3.228 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.181 0.697 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.190 -0.263 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.295 -1.408 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.732 -0.483 -6.150 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.307 2.197 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.848 1.973 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.493 2.804 -4.923 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.179 -1.500 -0.686 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.618 -1.588 0.736 1.00 0.00 C ATOM 1421 C GLU B 41 -5.402 -1.486 1.665 1.00 0.00 C ATOM 1422 O GLU B 41 -5.457 -1.863 2.818 1.00 0.00 O ATOM 1423 CB GLU B 41 -7.280 -2.960 0.865 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.592 -2.969 0.078 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.625 -3.820 0.818 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.217 -4.693 1.566 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.807 -3.585 0.623 1.00 0.00 O ATOM 0 H GLU B 41 -5.699 -2.326 -1.045 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.300 -0.783 1.011 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.612 -3.735 0.488 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.471 -3.186 1.914 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.963 -1.951 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.426 -3.368 -0.922 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.302 -0.985 1.164 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.072 -0.862 1.994 1.00 0.00 C ATOM 1436 C PHE B 42 -3.286 0.052 3.204 1.00 0.00 C ATOM 1437 O PHE B 42 -2.432 0.136 4.061 1.00 0.00 O ATOM 1438 CB PHE B 42 -2.008 -0.270 1.065 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.497 1.026 0.454 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.690 2.169 1.265 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -2.743 1.101 -0.936 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.132 3.378 0.687 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.181 2.310 -1.511 1.00 0.00 C ATOM 1444 CZ PHE B 42 -3.377 3.450 -0.698 1.00 0.00 C ATOM 0 H PHE B 42 -4.205 -0.653 0.204 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.780 -1.832 2.397 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -1.089 -0.091 1.623 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -1.769 -0.983 0.276 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -2.499 2.116 2.327 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -2.595 0.230 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -3.283 4.249 1.307 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.367 2.366 -2.573 1.00 0.00 H new ATOM 0 HZ PHE B 42 -3.715 4.376 -1.139 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.399 0.737 3.306 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.612 1.624 4.492 1.00 0.00 C ATOM 1456 C GLU B 43 -4.304 0.842 5.771 1.00 0.00 C ATOM 1457 O GLU B 43 -3.329 1.095 6.452 1.00 0.00 O ATOM 1458 CB GLU B 43 -6.090 2.014 4.439 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.439 2.862 5.663 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.935 2.740 5.959 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -8.396 1.623 6.127 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.594 3.765 6.011 1.00 0.00 O ATOM 0 H GLU B 43 -5.161 0.721 2.628 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.967 2.503 4.483 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.297 2.572 3.526 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.712 1.119 4.414 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.859 2.532 6.525 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.177 3.905 5.483 1.00 0.00 H new ATOM 1469 N GLU B 44 -5.113 -0.127 6.079 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.859 -0.959 7.287 1.00 0.00 C ATOM 1471 C GLU B 44 -3.817 -2.038 6.962 1.00 0.00 C ATOM 1472 O GLU B 44 -3.208 -2.614 7.841 1.00 0.00 O ATOM 1473 CB GLU B 44 -6.209 -1.596 7.624 1.00 0.00 C ATOM 1474 CG GLU B 44 -6.698 -2.421 6.431 1.00 0.00 C ATOM 1475 CD GLU B 44 -7.704 -3.466 6.911 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -8.876 -3.136 7.001 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.288 -4.581 7.181 1.00 0.00 O ATOM 0 H GLU B 44 -5.944 -0.382 5.545 1.00 0.00 H new ATOM 0 HA GLU B 44 -4.470 -0.376 8.122 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -6.113 -2.232 8.504 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.937 -0.822 7.867 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -7.161 -1.769 5.690 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -5.855 -2.910 5.943 1.00 0.00 H new ATOM 1484 N ALA B 45 -3.624 -2.324 5.699 1.00 0.00 N ATOM 1485 CA ALA B 45 -2.644 -3.378 5.298 1.00 0.00 C ATOM 1486 C ALA B 45 -1.202 -2.865 5.379 1.00 0.00 C ATOM 1487 O ALA B 45 -0.346 -3.494 5.967 1.00 0.00 O ATOM 1488 CB ALA B 45 -3.007 -3.709 3.850 1.00 0.00 C ATOM 0 H ALA B 45 -4.107 -1.869 4.924 1.00 0.00 H new ATOM 0 HA ALA B 45 -2.694 -4.245 5.957 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -2.334 -4.479 3.473 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.034 -4.072 3.806 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.912 -2.813 3.237 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.921 -1.739 4.783 1.00 0.00 N ATOM 1495 CA ALA B 46 0.473 -1.208 4.820 1.00 0.00 C ATOM 1496 C ALA B 46 0.998 -1.187 6.255 1.00 0.00 C ATOM 1497 O ALA B 46 2.188 -1.231 6.487 1.00 0.00 O ATOM 1498 CB ALA B 46 0.385 0.209 4.253 1.00 0.00 C ATOM 0 H ALA B 46 -1.593 -1.165 4.274 1.00 0.00 H new ATOM 0 HA ALA B 46 1.160 -1.828 4.244 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.376 0.662 4.250 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.001 0.170 3.234 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.285 0.807 4.870 1.00 0.00 H new ATOM 1504 N GLN B 47 0.123 -1.134 7.225 1.00 0.00 N ATOM 1505 CA GLN B 47 0.594 -1.127 8.640 1.00 0.00 C ATOM 1506 C GLN B 47 1.533 -2.312 8.874 1.00 0.00 C ATOM 1507 O GLN B 47 2.460 -2.239 9.655 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.666 -1.266 9.489 1.00 0.00 C ATOM 1509 CG GLN B 47 -1.537 -0.019 9.322 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.201 0.988 10.423 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -0.299 0.771 11.208 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -1.893 2.090 10.516 1.00 0.00 N ATOM 0 H GLN B 47 -0.889 -1.096 7.100 1.00 0.00 H new ATOM 0 HA GLN B 47 1.144 -0.220 8.890 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -1.223 -2.154 9.189 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.398 -1.397 10.537 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -1.368 0.427 8.342 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -2.592 -0.290 9.371 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -2.650 2.274 9.858 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -1.677 2.768 11.247 1.00 0.00 H new ATOM 1521 N ILE B 48 1.306 -3.402 8.186 1.00 0.00 N ATOM 1522 CA ILE B 48 2.197 -4.585 8.351 1.00 0.00 C ATOM 1523 C ILE B 48 3.644 -4.155 8.122 1.00 0.00 C ATOM 1524 O ILE B 48 4.571 -4.724 8.665 1.00 0.00 O ATOM 1525 CB ILE B 48 1.748 -5.578 7.276 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.309 -6.017 7.557 1.00 0.00 C ATOM 1527 CG2 ILE B 48 2.664 -6.802 7.290 1.00 0.00 C ATOM 1528 CD1 ILE B 48 -0.302 -6.611 6.287 1.00 0.00 C ATOM 0 H ILE B 48 0.544 -3.522 7.519 1.00 0.00 H new ATOM 0 HA ILE B 48 2.139 -5.026 9.346 1.00 0.00 H new ATOM 0 HB ILE B 48 1.800 -5.099 6.298 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.293 -6.754 8.360 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.283 -5.166 7.894 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.341 -7.507 6.524 1.00 0.00 H new ATOM 0 HG22 ILE B 48 3.689 -6.491 7.089 1.00 0.00 H new ATOM 0 HG23 ILE B 48 2.615 -7.282 8.268 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -1.327 -6.923 6.488 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.300 -5.860 5.497 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.285 -7.473 5.970 1.00 0.00 H new ATOM 1540 N ARG B 49 3.839 -3.133 7.331 1.00 0.00 N ATOM 1541 CA ARG B 49 5.222 -2.635 7.074 1.00 0.00 C ATOM 1542 C ARG B 49 5.930 -2.402 8.414 1.00 0.00 C ATOM 1543 O ARG B 49 7.119 -2.618 8.546 1.00 0.00 O ATOM 1544 CB ARG B 49 5.021 -1.319 6.309 1.00 0.00 C ATOM 1545 CG ARG B 49 6.329 -0.522 6.257 1.00 0.00 C ATOM 1546 CD ARG B 49 6.110 0.853 6.895 1.00 0.00 C ATOM 1547 NE ARG B 49 5.651 0.572 8.286 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.391 0.927 9.300 1.00 0.00 C ATOM 1549 NH1 ARG B 49 7.641 0.557 9.356 1.00 0.00 N ATOM 1550 NH2 ARG B 49 5.882 1.653 10.257 1.00 0.00 N ATOM 0 H ARG B 49 3.099 -2.621 6.851 1.00 0.00 H new ATOM 0 HA ARG B 49 5.838 -3.333 6.508 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.676 -1.529 5.297 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.246 -0.725 6.793 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.117 -1.059 6.785 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.658 -0.408 5.224 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.030 1.438 6.895 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.366 1.429 6.344 1.00 0.00 H new ATOM 0 HE ARG B 49 4.759 0.103 8.444 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.039 -0.010 8.607 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.220 0.834 10.149 1.00 0.00 H new ATOM 0 HH21 ARG B 49 4.905 1.943 10.213 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.461 1.930 11.050 1.00 0.00 H new ATOM 1564 N ASP B 50 5.202 -1.976 9.410 1.00 0.00 N ATOM 1565 CA ASP B 50 5.826 -1.747 10.742 1.00 0.00 C ATOM 1566 C ASP B 50 6.277 -3.086 11.327 1.00 0.00 C ATOM 1567 O ASP B 50 7.296 -3.178 11.982 1.00 0.00 O ATOM 1568 CB ASP B 50 4.721 -1.127 11.599 1.00 0.00 C ATOM 1569 CG ASP B 50 5.315 -0.627 12.917 1.00 0.00 C ATOM 1570 OD1 ASP B 50 5.765 -1.454 13.692 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.310 0.574 13.128 1.00 0.00 O ATOM 0 H ASP B 50 4.203 -1.777 9.358 1.00 0.00 H new ATOM 0 HA ASP B 50 6.702 -1.101 10.692 1.00 0.00 H new ATOM 0 HB2 ASP B 50 4.251 -0.302 11.064 1.00 0.00 H new ATOM 0 HB3 ASP B 50 3.942 -1.864 11.796 1.00 0.00 H new ATOM 1576 N GLN B 51 5.528 -4.127 11.083 1.00 0.00 N ATOM 1577 CA GLN B 51 5.918 -5.465 11.611 1.00 0.00 C ATOM 1578 C GLN B 51 7.059 -6.036 10.768 1.00 0.00 C ATOM 1579 O GLN B 51 7.972 -6.657 11.275 1.00 0.00 O ATOM 1580 CB GLN B 51 4.664 -6.328 11.477 1.00 0.00 C ATOM 1581 CG GLN B 51 3.495 -5.651 12.196 1.00 0.00 C ATOM 1582 CD GLN B 51 2.211 -6.440 11.939 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.179 -5.867 11.648 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.229 -7.742 12.033 1.00 0.00 N ATOM 0 H GLN B 51 4.664 -4.109 10.541 1.00 0.00 H new ATOM 0 HA GLN B 51 6.267 -5.423 12.643 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.421 -6.474 10.424 1.00 0.00 H new ATOM 0 HB3 GLN B 51 4.843 -7.316 11.902 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.694 -5.599 13.266 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.381 -4.626 11.842 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.094 -8.224 12.277 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.378 -8.277 11.862 1.00 0.00 H new ATOM 1593 N LEU B 52 7.014 -5.823 9.480 1.00 0.00 N ATOM 1594 CA LEU B 52 8.097 -6.344 8.597 1.00 0.00 C ATOM 1595 C LEU B 52 9.409 -5.611 8.889 1.00 0.00 C ATOM 1596 O LEU B 52 10.461 -6.211 8.977 1.00 0.00 O ATOM 1597 CB LEU B 52 7.622 -6.046 7.173 1.00 0.00 C ATOM 1598 CG LEU B 52 7.643 -7.331 6.343 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.072 -7.872 6.275 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.734 -8.375 6.997 1.00 0.00 C ATOM 0 H LEU B 52 6.273 -5.310 9.001 1.00 0.00 H new ATOM 0 HA LEU B 52 8.284 -7.407 8.750 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.614 -5.632 7.195 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.265 -5.295 6.714 1.00 0.00 H new ATOM 0 HG LEU B 52 7.287 -7.118 5.335 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.087 -8.788 5.684 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.720 -7.129 5.810 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.429 -8.085 7.283 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.748 -9.291 6.406 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.090 -8.588 8.005 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.715 -7.991 7.046 1.00 0.00 H new ATOM 1612 N HIS B 53 9.350 -4.316 9.043 1.00 0.00 N ATOM 1613 CA HIS B 53 10.590 -3.541 9.335 1.00 0.00 C ATOM 1614 C HIS B 53 11.058 -3.817 10.765 1.00 0.00 C ATOM 1615 O HIS B 53 12.236 -3.954 11.029 1.00 0.00 O ATOM 1616 CB HIS B 53 10.188 -2.076 9.173 1.00 0.00 C ATOM 1617 CG HIS B 53 11.411 -1.205 9.268 1.00 0.00 C ATOM 1618 ND1 HIS B 53 12.016 -0.656 8.149 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.153 -0.779 10.342 1.00 0.00 C ATOM 1620 CE1 HIS B 53 13.073 0.063 8.570 1.00 0.00 C ATOM 1621 NE2 HIS B 53 13.202 0.022 9.899 1.00 0.00 N ATOM 0 H HIS B 53 8.497 -3.761 8.979 1.00 0.00 H new ATOM 0 HA HIS B 53 11.414 -3.811 8.674 1.00 0.00 H new ATOM 0 HB2 HIS B 53 9.697 -1.927 8.211 1.00 0.00 H new ATOM 0 HB3 HIS B 53 9.470 -1.798 9.944 1.00 0.00 H new ATOM 0 HD2 HIS B 53 11.953 -1.028 11.374 1.00 0.00 H new ATOM 0 HE1 HIS B 53 13.736 0.607 7.913 1.00 0.00 H new ATOM 0 HE2 HIS B 53 13.915 0.479 10.467 1.00 0.00 H new ATOM 1629 N GLN B 54 10.144 -3.900 11.692 1.00 0.00 N ATOM 1630 CA GLN B 54 10.535 -4.168 13.106 1.00 0.00 C ATOM 1631 C GLN B 54 11.075 -5.595 13.238 1.00 0.00 C ATOM 1632 O GLN B 54 12.085 -5.831 13.872 1.00 0.00 O ATOM 1633 CB GLN B 54 9.248 -4.004 13.912 1.00 0.00 C ATOM 1634 CG GLN B 54 9.523 -4.321 15.384 1.00 0.00 C ATOM 1635 CD GLN B 54 8.803 -3.302 16.270 1.00 0.00 C ATOM 1636 OE1 GLN B 54 8.554 -2.189 15.854 1.00 0.00 O ATOM 1637 NE2 GLN B 54 8.458 -3.639 17.482 1.00 0.00 N ATOM 0 H GLN B 54 9.142 -3.794 11.532 1.00 0.00 H new ATOM 0 HA GLN B 54 11.319 -3.496 13.454 1.00 0.00 H new ATOM 0 HB2 GLN B 54 8.871 -2.986 13.813 1.00 0.00 H new ATOM 0 HB3 GLN B 54 8.476 -4.669 13.524 1.00 0.00 H new ATOM 0 HG2 GLN B 54 9.181 -5.329 15.620 1.00 0.00 H new ATOM 0 HG3 GLN B 54 10.595 -4.294 15.578 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.668 -4.574 17.830 1.00 0.00 H new ATOM 0 HE22 GLN B 54 7.979 -2.967 18.081 1.00 0.00 H new ATOM 1646 N LEU B 55 10.411 -6.548 12.643 1.00 0.00 N ATOM 1647 CA LEU B 55 10.889 -7.957 12.733 1.00 0.00 C ATOM 1648 C LEU B 55 12.297 -8.074 12.144 1.00 0.00 C ATOM 1649 O LEU B 55 13.045 -8.974 12.472 1.00 0.00 O ATOM 1650 CB LEU B 55 9.891 -8.769 11.906 1.00 0.00 C ATOM 1651 CG LEU B 55 8.707 -9.172 12.786 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.428 -9.190 11.946 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.954 -10.568 13.363 1.00 0.00 C ATOM 0 H LEU B 55 9.559 -6.412 12.099 1.00 0.00 H new ATOM 0 HA LEU B 55 10.945 -8.310 13.763 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.543 -8.181 11.057 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.376 -9.657 11.501 1.00 0.00 H new ATOM 0 HG LEU B 55 8.598 -8.454 13.599 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.584 -9.477 12.574 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.251 -8.197 11.532 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.537 -9.908 11.133 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.111 -10.857 13.991 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.062 -11.284 12.549 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.865 -10.558 13.961 1.00 0.00 H new ATOM 1665 N ARG B 56 12.663 -7.171 11.275 1.00 0.00 N ATOM 1666 CA ARG B 56 14.022 -7.229 10.666 1.00 0.00 C ATOM 1667 C ARG B 56 15.088 -7.303 11.762 1.00 0.00 C ATOM 1668 O ARG B 56 15.986 -8.121 11.716 1.00 0.00 O ATOM 1669 CB ARG B 56 14.156 -5.928 9.874 1.00 0.00 C ATOM 1670 CG ARG B 56 15.535 -5.871 9.213 1.00 0.00 C ATOM 1671 CD ARG B 56 16.027 -4.421 9.183 1.00 0.00 C ATOM 1672 NE ARG B 56 17.430 -4.502 8.692 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.047 -3.420 8.300 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.218 -3.191 7.027 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.494 -2.568 9.182 1.00 0.00 N ATOM 0 H ARG B 56 12.079 -6.396 10.961 1.00 0.00 H new ATOM 0 HA ARG B 56 14.155 -8.107 10.033 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.375 -5.870 9.116 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.023 -5.072 10.535 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.240 -6.494 9.763 1.00 0.00 H new ATOM 0 HG3 ARG B 56 15.481 -6.269 8.200 1.00 0.00 H new ATOM 0 HD2 ARG B 56 15.412 -3.809 8.523 1.00 0.00 H new ATOM 0 HD3 ARG B 56 15.981 -3.968 10.173 1.00 0.00 H new ATOM 0 HE ARG B 56 17.909 -5.402 8.662 1.00 0.00 H new ATOM 0 HH11 ARG B 56 17.870 -3.857 6.338 1.00 0.00 H new ATOM 0 HH12 ARG B 56 18.700 -2.346 6.721 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.361 -2.747 10.177 1.00 0.00 H new ATOM 0 HH22 ARG B 56 18.976 -1.723 8.876 1.00 0.00 H new ATOM 1689 N GLU B 57 14.994 -6.456 12.751 1.00 0.00 N ATOM 1690 CA GLU B 57 16.001 -6.480 13.851 1.00 0.00 C ATOM 1691 C GLU B 57 15.934 -7.818 14.591 1.00 0.00 C ATOM 1692 O GLU B 57 16.943 -8.426 14.889 1.00 0.00 O ATOM 1693 CB GLU B 57 15.603 -5.333 14.782 1.00 0.00 C ATOM 1694 CG GLU B 57 15.507 -4.031 13.984 1.00 0.00 C ATOM 1695 CD GLU B 57 15.798 -2.845 14.903 1.00 0.00 C ATOM 1696 OE1 GLU B 57 15.600 -2.983 16.099 1.00 0.00 O ATOM 1697 OE2 GLU B 57 16.215 -1.816 14.395 1.00 0.00 O ATOM 0 H GLU B 57 14.265 -5.749 12.845 1.00 0.00 H new ATOM 0 HA GLU B 57 17.020 -6.367 13.482 1.00 0.00 H new ATOM 0 HB2 GLU B 57 14.646 -5.552 15.256 1.00 0.00 H new ATOM 0 HB3 GLU B 57 16.338 -5.228 15.580 1.00 0.00 H new ATOM 0 HG2 GLU B 57 16.217 -4.046 13.157 1.00 0.00 H new ATOM 0 HG3 GLU B 57 14.513 -3.932 13.549 1.00 0.00 H new ATOM 1704 N LEU B 58 14.751 -8.280 14.887 1.00 0.00 N ATOM 1705 CA LEU B 58 14.616 -9.580 15.606 1.00 0.00 C ATOM 1706 C LEU B 58 15.297 -10.697 14.809 1.00 0.00 C ATOM 1707 O LEU B 58 15.664 -11.722 15.349 1.00 0.00 O ATOM 1708 CB LEU B 58 13.111 -9.827 15.699 1.00 0.00 C ATOM 1709 CG LEU B 58 12.641 -9.590 17.135 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.159 -9.211 17.132 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.837 -10.868 17.952 1.00 0.00 C ATOM 0 H LEU B 58 13.872 -7.815 14.663 1.00 0.00 H new ATOM 0 HA LEU B 58 15.086 -9.560 16.589 1.00 0.00 H new ATOM 0 HB2 LEU B 58 12.580 -9.162 15.017 1.00 0.00 H new ATOM 0 HB3 LEU B 58 12.880 -10.848 15.394 1.00 0.00 H new ATOM 0 HG LEU B 58 13.222 -8.781 17.578 1.00 0.00 H new ATOM 0 HD11 LEU B 58 10.825 -9.042 18.156 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.017 -8.301 16.549 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.578 -10.020 16.689 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.502 -10.700 18.976 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.256 -11.676 17.508 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.893 -11.139 17.955 1.00 0.00 H new ATOM 1723 N PHE B 59 15.468 -10.505 13.530 1.00 0.00 N ATOM 1724 CA PHE B 59 16.125 -11.556 12.700 1.00 0.00 C ATOM 1725 C PHE B 59 17.473 -11.947 13.312 1.00 0.00 C ATOM 1726 O PHE B 59 17.800 -13.112 13.424 1.00 0.00 O ATOM 1727 CB PHE B 59 16.326 -10.910 11.328 1.00 0.00 C ATOM 1728 CG PHE B 59 16.661 -11.976 10.314 1.00 0.00 C ATOM 1729 CD1 PHE B 59 17.910 -12.635 10.368 1.00 0.00 C ATOM 1730 CD2 PHE B 59 15.726 -12.316 9.311 1.00 0.00 C ATOM 1731 CE1 PHE B 59 18.224 -13.633 9.418 1.00 0.00 C ATOM 1732 CE2 PHE B 59 16.040 -13.313 8.361 1.00 0.00 C ATOM 1733 CZ PHE B 59 17.289 -13.973 8.414 1.00 0.00 C ATOM 0 H PHE B 59 15.182 -9.667 13.023 1.00 0.00 H new ATOM 0 HA PHE B 59 15.528 -12.466 12.638 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.422 -10.379 11.028 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.128 -10.173 11.375 1.00 0.00 H new ATOM 0 HD1 PHE B 59 18.625 -12.376 11.135 1.00 0.00 H new ATOM 0 HD2 PHE B 59 14.771 -11.813 9.271 1.00 0.00 H new ATOM 0 HE1 PHE B 59 19.179 -14.136 9.459 1.00 0.00 H new ATOM 0 HE2 PHE B 59 15.325 -13.571 7.594 1.00 0.00 H new ATOM 0 HZ PHE B 59 17.528 -14.736 7.688 1.00 0.00 H new ATOM 1743 N ILE B 60 18.256 -10.982 13.711 1.00 0.00 N ATOM 1744 CA ILE B 60 19.580 -11.300 14.317 1.00 0.00 C ATOM 1745 C ILE B 60 19.399 -11.782 15.758 1.00 0.00 C ATOM 1746 O ILE B 60 20.111 -12.647 16.228 1.00 0.00 O ATOM 1747 CB ILE B 60 20.355 -9.983 14.286 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.573 -9.554 12.832 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.711 -10.171 14.968 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.007 -8.088 12.792 1.00 0.00 C ATOM 0 H ILE B 60 18.036 -9.988 13.644 1.00 0.00 H new ATOM 0 HA ILE B 60 20.101 -12.093 13.780 1.00 0.00 H new ATOM 0 HB ILE B 60 19.787 -9.216 14.812 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.333 -10.182 12.366 1.00 0.00 H new ATOM 0 HG13 ILE B 60 19.655 -9.688 12.261 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.263 -9.231 14.945 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.558 -10.477 16.003 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.279 -10.938 14.442 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.162 -7.783 11.757 1.00 0.00 H new ATOM 0 HD12 ILE B 60 20.232 -7.467 13.241 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.936 -7.968 13.349 1.00 0.00 H new ATOM 1762 N ALA B 61 18.448 -11.231 16.463 1.00 0.00 N ATOM 1763 CA ALA B 61 18.220 -11.660 17.872 1.00 0.00 C ATOM 1764 C ALA B 61 17.868 -13.150 17.919 1.00 0.00 C ATOM 1765 O ALA B 61 18.062 -13.812 18.919 1.00 0.00 O ATOM 1766 CB ALA B 61 17.043 -10.814 18.359 1.00 0.00 C ATOM 0 H ALA B 61 17.820 -10.503 16.124 1.00 0.00 H new ATOM 0 HA ALA B 61 19.104 -11.523 18.495 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.813 -11.072 19.393 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.304 -9.758 18.298 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.172 -11.009 17.734 1.00 0.00 H new ATOM 1772 N ALA B 62 17.350 -13.680 16.846 1.00 0.00 N ATOM 1773 CA ALA B 62 16.987 -15.126 16.828 1.00 0.00 C ATOM 1774 C ALA B 62 18.193 -15.969 16.407 1.00 0.00 C ATOM 1775 O ALA B 62 18.806 -16.640 17.214 1.00 0.00 O ATOM 1776 CB ALA B 62 15.865 -15.240 15.796 1.00 0.00 C ATOM 0 H ALA B 62 17.162 -13.175 15.980 1.00 0.00 H new ATOM 0 HA ALA B 62 16.676 -15.486 17.809 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.541 -16.278 15.724 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.024 -14.618 16.103 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.229 -14.905 14.825 1.00 0.00 H new ATOM 1782 N SER B 63 18.539 -15.940 15.149 1.00 0.00 N ATOM 1783 CA SER B 63 19.706 -16.740 14.678 1.00 0.00 C ATOM 1784 C SER B 63 20.956 -15.859 14.608 1.00 0.00 C ATOM 1785 O SER B 63 21.655 -15.937 13.611 1.00 0.00 O ATOM 1786 CB SER B 63 19.316 -17.230 13.285 1.00 0.00 C ATOM 1787 OG SER B 63 19.270 -16.123 12.394 1.00 0.00 O ATOM 1788 OXT SER B 63 21.193 -15.123 15.551 1.00 0.00 O ATOM 0 H SER B 63 18.065 -15.397 14.427 1.00 0.00 H new ATOM 0 HA SER B 63 19.937 -17.567 15.349 1.00 0.00 H new ATOM 0 HB2 SER B 63 20.037 -17.967 12.931 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.345 -17.725 13.319 1.00 0.00 H new ATOM 0 HG SER B 63 20.181 -15.811 12.212 1.00 0.00 H new TER 1794 SER B 63