USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=10 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= -0.132 X(o=-0.13,f=-0.33) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -119:sc=-0.00848 (180deg=-0.224) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.173 K(o=-0.17,f=-4.8!) USER MOD Single : A 24 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.027) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -170:sc= -3.21! (180deg=-3.55!) USER MOD Single : A 34 MET CE :methyl 146:sc= -0.48 (180deg=-3.1!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -5.03! C(o=-5!,f=-6.5!) USER MOD Single : A 38 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.76) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.096) USER MOD Single : A 51 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.068) USER MOD Single : A 53 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.75) USER MOD Single : A 54 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.37) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl -126:sc=-0.00558 (180deg=-0.227) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.237 K(o=-0.24,f=-4.7!) USER MOD Single : B 24 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.031) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 MET CE :methyl -170:sc= -5.14! (180deg=-5.59!) USER MOD Single : B 34 MET CE :methyl 146:sc= -0.648 (180deg=-3.77!) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-6.5!) USER MOD Single : B 38 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.75) USER MOD Single : B 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 GLN : amide:sc= -0.0639 X(o=-0.064,f=-0.092) USER MOD Single : B 51 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.072) USER MOD Single : B 53 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-0.75) USER MOD Single : B 54 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -34.374 9.861 -26.290 1.00 0.00 N ATOM 2 CA LEU A 8 -33.487 9.574 -25.126 1.00 0.00 C ATOM 3 C LEU A 8 -32.123 9.077 -25.609 1.00 0.00 C ATOM 4 O LEU A 8 -31.801 7.911 -25.497 1.00 0.00 O ATOM 5 CB LEU A 8 -34.210 8.480 -24.338 1.00 0.00 C ATOM 6 CG LEU A 8 -34.485 7.287 -25.254 1.00 0.00 C ATOM 7 CD1 LEU A 8 -34.165 5.988 -24.513 1.00 0.00 C ATOM 8 CD2 LEU A 8 -35.960 7.290 -25.662 1.00 0.00 C ATOM 0 HA LEU A 8 -33.303 10.460 -24.518 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -33.603 8.167 -23.489 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -35.146 8.866 -23.935 1.00 0.00 H new ATOM 0 HG LEU A 8 -33.859 7.360 -26.144 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -34.361 5.138 -25.167 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -33.115 5.985 -24.220 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -34.790 5.913 -23.623 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -36.159 6.440 -26.315 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -36.584 7.217 -24.771 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -36.189 8.215 -26.191 1.00 0.00 H new ATOM 20 N GLU A 9 -31.319 9.953 -26.147 1.00 0.00 N ATOM 21 CA GLU A 9 -29.975 9.531 -26.638 1.00 0.00 C ATOM 22 C GLU A 9 -28.884 10.410 -26.015 1.00 0.00 C ATOM 23 O GLU A 9 -28.176 11.104 -26.718 1.00 0.00 O ATOM 24 CB GLU A 9 -30.027 9.732 -28.153 1.00 0.00 C ATOM 25 CG GLU A 9 -28.835 9.027 -28.804 1.00 0.00 C ATOM 26 CD GLU A 9 -28.628 9.574 -30.217 1.00 0.00 C ATOM 27 OE1 GLU A 9 -27.926 10.562 -30.352 1.00 0.00 O ATOM 28 OE2 GLU A 9 -29.175 8.994 -31.142 1.00 0.00 O ATOM 0 H GLU A 9 -31.534 10.943 -26.268 1.00 0.00 H new ATOM 0 HA GLU A 9 -29.742 8.500 -26.372 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -30.960 9.334 -28.551 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -30.007 10.796 -28.390 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.936 9.183 -28.207 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -29.011 7.952 -28.841 1.00 0.00 H new ATOM 35 N PRO A 10 -28.781 10.355 -24.710 1.00 0.00 N ATOM 36 CA PRO A 10 -27.763 11.163 -23.995 1.00 0.00 C ATOM 37 C PRO A 10 -26.364 10.580 -24.218 1.00 0.00 C ATOM 38 O PRO A 10 -25.448 11.274 -24.608 1.00 0.00 O ATOM 39 CB PRO A 10 -28.172 11.045 -22.530 1.00 0.00 C ATOM 40 CG PRO A 10 -28.943 9.767 -22.443 1.00 0.00 C ATOM 41 CD PRO A 10 -29.592 9.548 -23.785 1.00 0.00 C ATOM 0 HA PRO A 10 -27.721 12.197 -24.338 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -27.299 11.024 -21.877 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -28.781 11.895 -22.221 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -28.283 8.936 -22.194 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -29.695 9.824 -21.656 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -29.585 8.494 -24.064 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -30.633 9.871 -23.782 1.00 0.00 H new ATOM 49 N ASP A 11 -26.196 9.305 -23.971 1.00 0.00 N ATOM 50 CA ASP A 11 -24.859 8.660 -24.163 1.00 0.00 C ATOM 51 C ASP A 11 -23.819 9.303 -23.239 1.00 0.00 C ATOM 52 O ASP A 11 -23.486 8.771 -22.198 1.00 0.00 O ATOM 53 CB ASP A 11 -24.493 8.890 -25.632 1.00 0.00 C ATOM 54 CG ASP A 11 -24.447 7.547 -26.364 1.00 0.00 C ATOM 55 OD1 ASP A 11 -23.462 6.845 -26.209 1.00 0.00 O ATOM 56 OD2 ASP A 11 -25.398 7.244 -27.065 1.00 0.00 O ATOM 0 H ASP A 11 -26.931 8.679 -23.643 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.885 7.598 -23.921 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -25.225 9.547 -26.101 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.526 9.388 -25.703 1.00 0.00 H new ATOM 61 N ASN A 12 -23.304 10.442 -23.610 1.00 0.00 N ATOM 62 CA ASN A 12 -22.286 11.115 -22.751 1.00 0.00 C ATOM 63 C ASN A 12 -22.549 12.624 -22.706 1.00 0.00 C ATOM 64 O ASN A 12 -21.641 13.417 -22.559 1.00 0.00 O ATOM 65 CB ASN A 12 -20.945 10.825 -23.424 1.00 0.00 C ATOM 66 CG ASN A 12 -20.984 11.313 -24.874 1.00 0.00 C ATOM 67 OD1 ASN A 12 -21.258 10.549 -25.777 1.00 0.00 O ATOM 68 ND2 ASN A 12 -20.721 12.564 -25.135 1.00 0.00 N ATOM 0 H ASN A 12 -23.543 10.937 -24.470 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.311 10.756 -21.722 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -20.140 11.323 -22.883 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.735 9.756 -23.395 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -20.746 12.900 -26.098 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -20.491 13.206 -24.376 1.00 0.00 H new ATOM 75 N VAL A 13 -23.785 13.023 -22.832 1.00 0.00 N ATOM 76 CA VAL A 13 -24.106 14.480 -22.798 1.00 0.00 C ATOM 77 C VAL A 13 -24.356 14.944 -21.346 1.00 0.00 C ATOM 78 O VAL A 13 -23.833 15.961 -20.937 1.00 0.00 O ATOM 79 CB VAL A 13 -25.355 14.627 -23.695 1.00 0.00 C ATOM 80 CG1 VAL A 13 -26.207 15.832 -23.272 1.00 0.00 C ATOM 81 CG2 VAL A 13 -24.901 14.826 -25.143 1.00 0.00 C ATOM 0 H VAL A 13 -24.586 12.405 -22.957 1.00 0.00 H new ATOM 0 HA VAL A 13 -23.291 15.107 -23.161 1.00 0.00 H new ATOM 0 HB VAL A 13 -25.960 13.726 -23.596 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -27.078 15.908 -23.923 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -26.535 15.702 -22.241 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -25.614 16.743 -23.352 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -25.774 14.931 -25.787 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -24.289 15.725 -25.212 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -24.316 13.964 -25.463 1.00 0.00 H new ATOM 91 N PRO A 14 -25.143 14.193 -20.612 1.00 0.00 N ATOM 92 CA PRO A 14 -25.438 14.562 -19.215 1.00 0.00 C ATOM 93 C PRO A 14 -24.350 14.013 -18.292 1.00 0.00 C ATOM 94 O PRO A 14 -23.844 14.703 -17.430 1.00 0.00 O ATOM 95 CB PRO A 14 -26.770 13.877 -18.942 1.00 0.00 C ATOM 96 CG PRO A 14 -26.835 12.721 -19.895 1.00 0.00 C ATOM 97 CD PRO A 14 -25.823 12.955 -20.993 1.00 0.00 C ATOM 0 HA PRO A 14 -25.475 15.638 -19.048 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -26.830 13.536 -17.908 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -27.603 14.562 -19.101 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -26.622 11.787 -19.375 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -27.837 12.631 -20.315 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -25.121 12.124 -21.068 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -26.308 13.052 -21.964 1.00 0.00 H new ATOM 105 N MET A 15 -23.984 12.773 -18.472 1.00 0.00 N ATOM 106 CA MET A 15 -22.929 12.182 -17.608 1.00 0.00 C ATOM 107 C MET A 15 -21.815 11.580 -18.468 1.00 0.00 C ATOM 108 O MET A 15 -21.720 11.840 -19.651 1.00 0.00 O ATOM 109 CB MET A 15 -23.637 11.094 -16.801 1.00 0.00 C ATOM 110 CG MET A 15 -23.320 11.272 -15.314 1.00 0.00 C ATOM 111 SD MET A 15 -24.844 11.629 -14.403 1.00 0.00 S ATOM 112 CE MET A 15 -24.647 10.364 -13.125 1.00 0.00 C ATOM 0 H MET A 15 -24.370 12.147 -19.179 1.00 0.00 H new ATOM 0 HA MET A 15 -22.461 12.925 -16.962 1.00 0.00 H new ATOM 0 HB2 MET A 15 -24.713 11.149 -16.963 1.00 0.00 H new ATOM 0 HB3 MET A 15 -23.314 10.109 -17.137 1.00 0.00 H new ATOM 0 HG2 MET A 15 -22.853 10.369 -14.921 1.00 0.00 H new ATOM 0 HG3 MET A 15 -22.606 12.084 -15.179 1.00 0.00 H new ATOM 0 HE1 MET A 15 -25.493 10.405 -12.439 1.00 0.00 H new ATOM 0 HE2 MET A 15 -24.605 9.380 -13.591 1.00 0.00 H new ATOM 0 HE3 MET A 15 -23.724 10.544 -12.574 1.00 0.00 H new ATOM 122 N ASP A 16 -20.968 10.777 -17.880 1.00 0.00 N ATOM 123 CA ASP A 16 -19.854 10.159 -18.659 1.00 0.00 C ATOM 124 C ASP A 16 -19.002 11.251 -19.308 1.00 0.00 C ATOM 125 O ASP A 16 -18.980 11.404 -20.512 1.00 0.00 O ATOM 126 CB ASP A 16 -20.533 9.296 -19.726 1.00 0.00 C ATOM 127 CG ASP A 16 -19.748 7.996 -19.905 1.00 0.00 C ATOM 128 OD1 ASP A 16 -19.709 7.216 -18.968 1.00 0.00 O ATOM 129 OD2 ASP A 16 -19.200 7.801 -20.977 1.00 0.00 O ATOM 0 H ASP A 16 -20.999 10.522 -16.893 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.190 9.567 -18.030 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.559 9.076 -19.432 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.581 9.838 -20.671 1.00 0.00 H new ATOM 134 N MET A 17 -18.306 12.013 -18.512 1.00 0.00 N ATOM 135 CA MET A 17 -17.457 13.103 -19.075 1.00 0.00 C ATOM 136 C MET A 17 -16.669 13.791 -17.957 1.00 0.00 C ATOM 137 O MET A 17 -15.531 14.177 -18.133 1.00 0.00 O ATOM 138 CB MET A 17 -18.440 14.085 -19.721 1.00 0.00 C ATOM 139 CG MET A 17 -19.533 14.459 -18.715 1.00 0.00 C ATOM 140 SD MET A 17 -20.808 15.439 -19.547 1.00 0.00 S ATOM 141 CE MET A 17 -19.902 17.004 -19.585 1.00 0.00 C ATOM 0 H MET A 17 -18.287 11.929 -17.496 1.00 0.00 H new ATOM 0 HA MET A 17 -16.729 12.727 -19.793 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.912 14.981 -20.048 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.887 13.636 -20.608 1.00 0.00 H new ATOM 0 HG2 MET A 17 -19.973 13.558 -18.288 1.00 0.00 H new ATOM 0 HG3 MET A 17 -19.104 15.027 -17.889 1.00 0.00 H new ATOM 0 HE1 MET A 17 -20.455 17.758 -19.024 1.00 0.00 H new ATOM 0 HE2 MET A 17 -18.919 16.866 -19.136 1.00 0.00 H new ATOM 0 HE3 MET A 17 -19.786 17.332 -20.618 1.00 0.00 H new ATOM 151 N SER A 18 -17.267 13.948 -16.805 1.00 0.00 N ATOM 152 CA SER A 18 -16.554 14.612 -15.674 1.00 0.00 C ATOM 153 C SER A 18 -16.051 15.996 -16.104 1.00 0.00 C ATOM 154 O SER A 18 -16.146 16.355 -17.261 1.00 0.00 O ATOM 155 CB SER A 18 -15.380 13.690 -15.346 1.00 0.00 C ATOM 156 OG SER A 18 -15.828 12.341 -15.350 1.00 0.00 O ATOM 0 H SER A 18 -18.219 13.645 -16.599 1.00 0.00 H new ATOM 0 HA SER A 18 -17.202 14.765 -14.811 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.583 13.823 -16.077 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.964 13.944 -14.371 1.00 0.00 H new ATOM 0 HG SER A 18 -15.077 11.746 -15.142 1.00 0.00 H new ATOM 162 N PRO A 19 -15.531 16.736 -15.152 1.00 0.00 N ATOM 163 CA PRO A 19 -15.013 18.091 -15.442 1.00 0.00 C ATOM 164 C PRO A 19 -13.560 18.048 -15.938 1.00 0.00 C ATOM 165 O PRO A 19 -12.877 19.052 -15.957 1.00 0.00 O ATOM 166 CB PRO A 19 -15.118 18.798 -14.096 1.00 0.00 C ATOM 167 CG PRO A 19 -15.084 17.714 -13.059 1.00 0.00 C ATOM 168 CD PRO A 19 -15.383 16.395 -13.736 1.00 0.00 C ATOM 0 HA PRO A 19 -15.566 18.594 -16.235 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.294 19.498 -13.957 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.041 19.375 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.107 17.680 -12.578 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.817 17.914 -12.278 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.576 15.678 -13.582 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.292 15.942 -13.340 1.00 0.00 H new ATOM 176 N LYS A 20 -13.094 16.901 -16.358 1.00 0.00 N ATOM 177 CA LYS A 20 -11.691 16.778 -16.881 1.00 0.00 C ATOM 178 C LYS A 20 -10.653 17.075 -15.790 1.00 0.00 C ATOM 179 O LYS A 20 -9.919 16.201 -15.374 1.00 0.00 O ATOM 180 CB LYS A 20 -11.584 17.802 -18.017 1.00 0.00 C ATOM 181 CG LYS A 20 -10.447 17.402 -18.959 1.00 0.00 C ATOM 182 CD LYS A 20 -9.113 17.875 -18.379 1.00 0.00 C ATOM 183 CE LYS A 20 -8.455 18.862 -19.348 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.992 18.624 -19.204 1.00 0.00 N ATOM 0 H LYS A 20 -13.628 16.032 -16.363 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.489 15.763 -17.223 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.525 17.852 -18.566 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.400 18.796 -17.609 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.435 16.320 -19.092 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.604 17.843 -19.944 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.273 18.351 -17.412 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.455 17.022 -18.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.784 18.689 -20.372 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.714 19.891 -19.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.472 19.264 -19.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.706 18.803 -18.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.774 17.638 -19.453 1.00 0.00 H new ATOM 198 N ALA A 21 -10.575 18.299 -15.334 1.00 0.00 N ATOM 199 CA ALA A 21 -9.571 18.655 -14.282 1.00 0.00 C ATOM 200 C ALA A 21 -9.566 17.616 -13.154 1.00 0.00 C ATOM 201 O ALA A 21 -8.527 17.157 -12.723 1.00 0.00 O ATOM 202 CB ALA A 21 -10.023 20.015 -13.751 1.00 0.00 C ATOM 0 H ALA A 21 -11.165 19.071 -15.645 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.557 18.682 -14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.337 20.348 -12.973 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.028 20.740 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.027 19.928 -13.336 1.00 0.00 H new ATOM 208 N LEU A 22 -10.720 17.239 -12.681 1.00 0.00 N ATOM 209 CA LEU A 22 -10.784 16.227 -11.588 1.00 0.00 C ATOM 210 C LEU A 22 -10.628 14.829 -12.179 1.00 0.00 C ATOM 211 O LEU A 22 -9.898 14.001 -11.671 1.00 0.00 O ATOM 212 CB LEU A 22 -12.175 16.390 -10.975 1.00 0.00 C ATOM 213 CG LEU A 22 -12.202 17.639 -10.092 1.00 0.00 C ATOM 214 CD1 LEU A 22 -12.139 18.885 -10.974 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.497 17.657 -9.277 1.00 0.00 C ATOM 0 H LEU A 22 -11.623 17.587 -13.003 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.996 16.362 -10.847 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.924 16.473 -11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.429 15.509 -10.385 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.347 17.627 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.158 19.776 -10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.218 18.872 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.996 18.897 -11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.518 18.546 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.352 17.671 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.545 16.767 -8.650 1.00 0.00 H new ATOM 227 N GLN A 23 -11.314 14.568 -13.254 1.00 0.00 N ATOM 228 CA GLN A 23 -11.221 13.224 -13.897 1.00 0.00 C ATOM 229 C GLN A 23 -9.756 12.851 -14.143 1.00 0.00 C ATOM 230 O GLN A 23 -9.362 11.710 -13.996 1.00 0.00 O ATOM 231 CB GLN A 23 -11.965 13.371 -15.224 1.00 0.00 C ATOM 232 CG GLN A 23 -12.023 12.014 -15.930 1.00 0.00 C ATOM 233 CD GLN A 23 -12.083 12.229 -17.444 1.00 0.00 C ATOM 234 OE1 GLN A 23 -11.987 13.344 -17.916 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.240 11.199 -18.230 1.00 0.00 N ATOM 0 H GLN A 23 -11.938 15.228 -13.719 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.646 12.438 -13.273 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.974 13.745 -15.048 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.461 14.101 -15.857 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.147 11.419 -15.671 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.897 11.455 -15.596 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -12.321 10.263 -17.834 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.282 11.330 -19.241 1.00 0.00 H new ATOM 244 N GLN A 24 -8.946 13.803 -14.520 1.00 0.00 N ATOM 245 CA GLN A 24 -7.508 13.499 -14.777 1.00 0.00 C ATOM 246 C GLN A 24 -6.745 13.374 -13.456 1.00 0.00 C ATOM 247 O GLN A 24 -5.916 12.502 -13.288 1.00 0.00 O ATOM 248 CB GLN A 24 -6.991 14.692 -15.583 1.00 0.00 C ATOM 249 CG GLN A 24 -6.259 14.188 -16.829 1.00 0.00 C ATOM 250 CD GLN A 24 -4.750 14.328 -16.627 1.00 0.00 C ATOM 251 OE1 GLN A 24 -4.210 15.411 -16.734 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.042 13.271 -16.336 1.00 0.00 N ATOM 0 H GLN A 24 -9.217 14.776 -14.661 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.375 12.557 -15.308 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.821 15.336 -15.872 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.318 15.293 -14.972 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.516 13.146 -17.018 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.574 14.757 -17.704 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.496 12.362 -16.246 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.035 13.354 -16.198 1.00 0.00 H new ATOM 261 N LYS A 25 -7.017 14.239 -12.518 1.00 0.00 N ATOM 262 CA LYS A 25 -6.303 14.169 -11.209 1.00 0.00 C ATOM 263 C LYS A 25 -6.799 12.968 -10.397 1.00 0.00 C ATOM 264 O LYS A 25 -6.029 12.283 -9.754 1.00 0.00 O ATOM 265 CB LYS A 25 -6.650 15.477 -10.498 1.00 0.00 C ATOM 266 CG LYS A 25 -5.844 16.622 -11.114 1.00 0.00 C ATOM 267 CD LYS A 25 -6.527 17.956 -10.799 1.00 0.00 C ATOM 268 CE LYS A 25 -5.735 18.691 -9.716 1.00 0.00 C ATOM 269 NZ LYS A 25 -5.719 20.115 -10.151 1.00 0.00 N ATOM 0 H LYS A 25 -7.702 14.991 -12.600 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.227 14.045 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.717 15.680 -10.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.430 15.394 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.828 16.619 -10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.767 16.487 -12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.587 18.568 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.549 17.783 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.207 18.582 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.724 18.294 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.193 20.684 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.258 20.189 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.695 20.468 -10.219 1.00 0.00 H new ATOM 283 N ILE A 26 -8.078 12.711 -10.419 1.00 0.00 N ATOM 284 CA ILE A 26 -8.620 11.557 -9.646 1.00 0.00 C ATOM 285 C ILE A 26 -8.111 10.237 -10.234 1.00 0.00 C ATOM 286 O ILE A 26 -7.731 9.333 -9.517 1.00 0.00 O ATOM 287 CB ILE A 26 -10.137 11.659 -9.793 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.625 12.956 -9.141 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.800 10.464 -9.107 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.058 13.245 -9.588 1.00 0.00 C ATOM 0 H ILE A 26 -8.771 13.250 -10.938 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.309 11.579 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.400 11.661 -10.851 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.582 12.868 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.972 13.783 -9.420 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.882 10.538 -9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.453 9.540 -9.570 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.538 10.461 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.405 14.168 -9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.086 13.351 -10.672 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.706 12.422 -9.287 1.00 0.00 H new ATOM 302 N HIS A 27 -8.103 10.120 -11.533 1.00 0.00 N ATOM 303 CA HIS A 27 -7.622 8.857 -12.164 1.00 0.00 C ATOM 304 C HIS A 27 -6.092 8.794 -12.133 1.00 0.00 C ATOM 305 O HIS A 27 -5.502 7.739 -12.254 1.00 0.00 O ATOM 306 CB HIS A 27 -8.127 8.919 -13.606 1.00 0.00 C ATOM 307 CG HIS A 27 -8.522 7.540 -14.059 1.00 0.00 C ATOM 308 ND1 HIS A 27 -7.643 6.702 -14.729 1.00 0.00 N ATOM 309 CD2 HIS A 27 -9.696 6.839 -13.946 1.00 0.00 C ATOM 310 CE1 HIS A 27 -8.298 5.556 -14.991 1.00 0.00 C ATOM 311 NE2 HIS A 27 -9.553 5.585 -14.534 1.00 0.00 N ATOM 0 H HIS A 27 -8.408 10.843 -12.185 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.984 7.972 -11.641 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.980 9.594 -13.675 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.350 9.319 -14.258 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.595 7.205 -13.473 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.862 4.714 -15.508 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.255 4.848 -14.601 1.00 0.00 H new ATOM 319 N GLU A 28 -5.444 9.917 -11.974 1.00 0.00 N ATOM 320 CA GLU A 28 -3.953 9.918 -11.938 1.00 0.00 C ATOM 321 C GLU A 28 -3.454 9.470 -10.562 1.00 0.00 C ATOM 322 O GLU A 28 -2.656 8.562 -10.446 1.00 0.00 O ATOM 323 CB GLU A 28 -3.551 11.368 -12.210 1.00 0.00 C ATOM 324 CG GLU A 28 -3.435 11.593 -13.718 1.00 0.00 C ATOM 325 CD GLU A 28 -2.081 11.074 -14.209 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.126 11.165 -13.455 1.00 0.00 O ATOM 327 OE2 GLU A 28 -2.023 10.597 -15.329 1.00 0.00 O ATOM 0 H GLU A 28 -5.882 10.832 -11.868 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.523 9.232 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.291 12.047 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.601 11.590 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.244 11.078 -14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.534 12.654 -13.947 1.00 0.00 H new ATOM 334 N LEU A 29 -3.916 10.102 -9.518 1.00 0.00 N ATOM 335 CA LEU A 29 -3.466 9.714 -8.150 1.00 0.00 C ATOM 336 C LEU A 29 -3.912 8.284 -7.830 1.00 0.00 C ATOM 337 O LEU A 29 -3.289 7.590 -7.052 1.00 0.00 O ATOM 338 CB LEU A 29 -4.147 10.710 -7.211 1.00 0.00 C ATOM 339 CG LEU A 29 -3.414 12.052 -7.272 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.336 13.161 -6.763 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.163 11.987 -6.394 1.00 0.00 C ATOM 0 H LEU A 29 -4.586 10.871 -9.553 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.381 9.737 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.191 10.840 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.141 10.326 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.127 12.263 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.814 14.117 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.229 13.207 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.623 12.951 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.639 12.942 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.452 11.776 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.506 11.196 -6.755 1.00 0.00 H new ATOM 353 N GLU A 30 -4.986 7.840 -8.422 1.00 0.00 N ATOM 354 CA GLU A 30 -5.470 6.456 -8.148 1.00 0.00 C ATOM 355 C GLU A 30 -4.445 5.428 -8.638 1.00 0.00 C ATOM 356 O GLU A 30 -4.259 4.389 -8.037 1.00 0.00 O ATOM 357 CB GLU A 30 -6.774 6.329 -8.936 1.00 0.00 C ATOM 358 CG GLU A 30 -7.478 5.025 -8.556 1.00 0.00 C ATOM 359 CD GLU A 30 -7.928 4.298 -9.824 1.00 0.00 C ATOM 360 OE1 GLU A 30 -8.302 4.973 -10.769 1.00 0.00 O ATOM 361 OE2 GLU A 30 -7.890 3.079 -9.829 1.00 0.00 O ATOM 0 H GLU A 30 -5.550 8.374 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.617 6.274 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.423 7.179 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.567 6.344 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.804 4.390 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.338 5.236 -7.921 1.00 0.00 H new ATOM 368 N GLY A 31 -3.782 5.709 -9.725 1.00 0.00 N ATOM 369 CA GLY A 31 -2.771 4.748 -10.252 1.00 0.00 C ATOM 370 C GLY A 31 -1.493 4.836 -9.417 1.00 0.00 C ATOM 371 O GLY A 31 -0.708 3.910 -9.366 1.00 0.00 O ATOM 0 H GLY A 31 -3.896 6.562 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.168 3.733 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.551 4.972 -11.296 1.00 0.00 H new ATOM 375 N LEU A 32 -1.274 5.944 -8.761 1.00 0.00 N ATOM 376 CA LEU A 32 -0.045 6.089 -7.931 1.00 0.00 C ATOM 377 C LEU A 32 -0.102 5.144 -6.728 1.00 0.00 C ATOM 378 O LEU A 32 0.912 4.701 -6.225 1.00 0.00 O ATOM 379 CB LEU A 32 -0.048 7.546 -7.470 1.00 0.00 C ATOM 380 CG LEU A 32 1.367 7.956 -7.059 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.248 8.066 -8.306 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.319 9.310 -6.349 1.00 0.00 C ATOM 0 H LEU A 32 -1.893 6.754 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 32 0.859 5.839 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.406 8.191 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.732 7.671 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 32 1.782 7.206 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.257 8.358 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.282 7.102 -8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.833 8.816 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.327 9.603 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.905 10.060 -7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.691 9.233 -5.462 1.00 0.00 H new ATOM 394 N MET A 33 -1.279 4.832 -6.262 1.00 0.00 N ATOM 395 CA MET A 33 -1.401 3.917 -5.090 1.00 0.00 C ATOM 396 C MET A 33 -0.806 2.546 -5.423 1.00 0.00 C ATOM 397 O MET A 33 0.174 2.125 -4.839 1.00 0.00 O ATOM 398 CB MET A 33 -2.903 3.801 -4.832 1.00 0.00 C ATOM 399 CG MET A 33 -3.377 5.007 -4.017 1.00 0.00 C ATOM 400 SD MET A 33 -4.984 5.559 -4.636 1.00 0.00 S ATOM 401 CE MET A 33 -5.982 4.257 -3.874 1.00 0.00 C ATOM 0 H MET A 33 -2.163 5.171 -6.641 1.00 0.00 H new ATOM 0 HA MET A 33 -0.865 4.291 -4.218 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.442 3.754 -5.778 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.120 2.878 -4.295 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.454 4.740 -2.963 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.650 5.816 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.997 4.298 -4.270 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.544 3.284 -4.098 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.007 4.403 -2.794 1.00 0.00 H new ATOM 411 N MET A 34 -1.390 1.847 -6.357 1.00 0.00 N ATOM 412 CA MET A 34 -0.858 0.502 -6.726 1.00 0.00 C ATOM 413 C MET A 34 0.582 0.621 -7.232 1.00 0.00 C ATOM 414 O MET A 34 1.385 -0.275 -7.063 1.00 0.00 O ATOM 415 CB MET A 34 -1.779 0.007 -7.842 1.00 0.00 C ATOM 416 CG MET A 34 -1.381 -1.415 -8.239 1.00 0.00 C ATOM 417 SD MET A 34 -1.938 -2.576 -6.967 1.00 0.00 S ATOM 418 CE MET A 34 -3.707 -2.216 -7.090 1.00 0.00 C ATOM 0 H MET A 34 -2.212 2.148 -6.881 1.00 0.00 H new ATOM 0 HA MET A 34 -0.839 -0.182 -5.877 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.816 0.026 -7.507 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.711 0.669 -8.705 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.824 -1.673 -9.201 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.300 -1.481 -8.358 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.277 -3.126 -6.903 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.977 -1.460 -6.352 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.934 -1.845 -8.089 1.00 0.00 H new ATOM 428 N GLN A 35 0.914 1.718 -7.854 1.00 0.00 N ATOM 429 CA GLN A 35 2.301 1.892 -8.373 1.00 0.00 C ATOM 430 C GLN A 35 3.319 1.685 -7.247 1.00 0.00 C ATOM 431 O GLN A 35 3.957 0.655 -7.158 1.00 0.00 O ATOM 432 CB GLN A 35 2.351 3.331 -8.892 1.00 0.00 C ATOM 433 CG GLN A 35 3.776 3.670 -9.338 1.00 0.00 C ATOM 434 CD GLN A 35 3.813 3.816 -10.860 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.356 2.975 -11.550 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.257 4.856 -11.417 1.00 0.00 N ATOM 0 H GLN A 35 0.285 2.502 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 35 2.545 1.171 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.660 3.451 -9.727 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.030 4.021 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.106 4.595 -8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.464 2.886 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.801 5.562 -10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.278 4.964 -12.431 1.00 0.00 H new ATOM 445 N HIS A 36 3.480 2.654 -6.390 1.00 0.00 N ATOM 446 CA HIS A 36 4.460 2.510 -5.275 1.00 0.00 C ATOM 447 C HIS A 36 4.095 1.305 -4.400 1.00 0.00 C ATOM 448 O HIS A 36 4.942 0.519 -4.026 1.00 0.00 O ATOM 449 CB HIS A 36 4.350 3.812 -4.484 1.00 0.00 C ATOM 450 CG HIS A 36 5.220 4.859 -5.124 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.054 6.212 -4.873 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.266 4.767 -6.008 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.979 6.874 -5.592 1.00 0.00 C ATOM 454 NE2 HIS A 36 6.744 6.041 -6.303 1.00 0.00 N ATOM 0 H HIS A 36 2.976 3.540 -6.413 1.00 0.00 H new ATOM 0 HA HIS A 36 5.475 2.339 -5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.314 4.149 -4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.657 3.650 -3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.659 3.846 -6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.090 7.948 -5.594 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.513 6.286 -6.927 1.00 0.00 H new ATOM 462 N ALA A 37 2.837 1.148 -4.076 1.00 0.00 N ATOM 463 CA ALA A 37 2.416 -0.012 -3.233 1.00 0.00 C ATOM 464 C ALA A 37 3.004 -1.312 -3.795 1.00 0.00 C ATOM 465 O ALA A 37 3.433 -2.180 -3.061 1.00 0.00 O ATOM 466 CB ALA A 37 0.890 -0.032 -3.324 1.00 0.00 C ATOM 0 H ALA A 37 2.082 1.773 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 37 2.762 0.076 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.501 -0.859 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.490 0.908 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.589 -0.160 -4.364 1.00 0.00 H new ATOM 472 N GLN A 38 3.036 -1.444 -5.095 1.00 0.00 N ATOM 473 CA GLN A 38 3.606 -2.680 -5.704 1.00 0.00 C ATOM 474 C GLN A 38 5.065 -2.831 -5.275 1.00 0.00 C ATOM 475 O GLN A 38 5.550 -3.922 -5.048 1.00 0.00 O ATOM 476 CB GLN A 38 3.504 -2.468 -7.214 1.00 0.00 C ATOM 477 CG GLN A 38 2.339 -3.291 -7.769 1.00 0.00 C ATOM 478 CD GLN A 38 2.855 -4.247 -8.846 1.00 0.00 C ATOM 479 OE1 GLN A 38 3.936 -4.789 -8.726 1.00 0.00 O ATOM 480 NE2 GLN A 38 2.122 -4.478 -9.900 1.00 0.00 N ATOM 0 H GLN A 38 2.693 -0.751 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 38 3.080 -3.583 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.353 -1.411 -7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.435 -2.765 -7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.863 -3.854 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.580 -2.630 -8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.215 -4.023 -10.000 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.456 -5.114 -10.624 1.00 0.00 H new ATOM 489 N ASN A 39 5.764 -1.735 -5.144 1.00 0.00 N ATOM 490 CA ASN A 39 7.188 -1.804 -4.710 1.00 0.00 C ATOM 491 C ASN A 39 7.269 -1.693 -3.182 1.00 0.00 C ATOM 492 O ASN A 39 8.309 -1.402 -2.624 1.00 0.00 O ATOM 493 CB ASN A 39 7.865 -0.604 -5.373 1.00 0.00 C ATOM 494 CG ASN A 39 8.458 -1.032 -6.717 1.00 0.00 C ATOM 495 OD1 ASN A 39 9.659 -1.157 -6.852 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.660 -1.261 -7.724 1.00 0.00 N ATOM 0 H ASN A 39 5.409 -0.795 -5.319 1.00 0.00 H new ATOM 0 HA ASN A 39 7.666 -2.742 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.143 0.199 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.649 -0.212 -4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.044 -1.545 -8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.652 -1.156 -7.610 1.00 0.00 H new ATOM 503 N LEU A 40 6.173 -1.922 -2.505 1.00 0.00 N ATOM 504 CA LEU A 40 6.168 -1.834 -1.018 1.00 0.00 C ATOM 505 C LEU A 40 6.682 -0.472 -0.551 1.00 0.00 C ATOM 506 O LEU A 40 7.146 -0.320 0.562 1.00 0.00 O ATOM 507 CB LEU A 40 7.091 -2.957 -0.543 1.00 0.00 C ATOM 508 CG LEU A 40 6.398 -4.306 -0.740 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.429 -4.685 -2.222 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.126 -5.376 0.075 1.00 0.00 C ATOM 0 H LEU A 40 5.276 -2.168 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 40 5.162 -1.938 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.027 -2.933 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.342 -2.815 0.508 1.00 0.00 H new ATOM 0 HG LEU A 40 5.363 -4.235 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.935 -5.647 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.911 -3.923 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.464 -4.756 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.633 -6.338 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.161 -5.447 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.104 -5.107 1.131 1.00 0.00 H new ATOM 522 N GLU A 41 6.587 0.527 -1.384 1.00 0.00 N ATOM 523 CA GLU A 41 7.053 1.881 -0.971 1.00 0.00 C ATOM 524 C GLU A 41 6.145 2.401 0.143 1.00 0.00 C ATOM 525 O GLU A 41 6.598 2.931 1.138 1.00 0.00 O ATOM 526 CB GLU A 41 6.925 2.748 -2.224 1.00 0.00 C ATOM 527 CG GLU A 41 8.165 2.564 -3.101 1.00 0.00 C ATOM 528 CD GLU A 41 9.218 3.606 -2.721 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.147 4.116 -1.615 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.078 3.877 -3.544 1.00 0.00 O ATOM 0 H GLU A 41 6.208 0.465 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 41 8.075 1.882 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.029 2.472 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.816 3.796 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.569 1.560 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.898 2.668 -4.153 1.00 0.00 H new ATOM 537 N PHE A 42 4.862 2.234 -0.019 1.00 0.00 N ATOM 538 CA PHE A 42 3.896 2.693 1.020 1.00 0.00 C ATOM 539 C PHE A 42 4.196 4.125 1.459 1.00 0.00 C ATOM 540 O PHE A 42 5.054 4.781 0.910 1.00 0.00 O ATOM 541 CB PHE A 42 4.079 1.726 2.189 1.00 0.00 C ATOM 542 CG PHE A 42 3.254 0.482 1.961 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.910 0.589 1.535 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.826 -0.792 2.179 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.140 -0.577 1.329 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.054 -1.958 1.972 1.00 0.00 C ATOM 547 CZ PHE A 42 1.711 -1.849 1.547 1.00 0.00 C ATOM 0 H PHE A 42 4.437 1.795 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 42 2.873 2.696 0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.131 1.461 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.779 2.206 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.472 1.562 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.853 -0.875 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.113 -0.495 1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.491 -2.932 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.121 -2.740 1.389 1.00 0.00 H new ATOM 557 N GLU A 43 3.457 4.600 2.435 1.00 0.00 N ATOM 558 CA GLU A 43 3.612 5.994 2.956 1.00 0.00 C ATOM 559 C GLU A 43 3.211 6.978 1.867 1.00 0.00 C ATOM 560 O GLU A 43 2.254 7.712 1.992 1.00 0.00 O ATOM 561 CB GLU A 43 5.088 6.161 3.341 1.00 0.00 C ATOM 562 CG GLU A 43 5.324 7.601 3.794 1.00 0.00 C ATOM 563 CD GLU A 43 6.827 7.865 3.896 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.480 7.865 2.866 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.301 8.062 5.003 1.00 0.00 O ATOM 0 H GLU A 43 2.731 4.060 2.905 1.00 0.00 H new ATOM 0 HA GLU A 43 2.978 6.182 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.349 5.467 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.728 5.924 2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.870 8.295 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.848 7.772 4.759 1.00 0.00 H new ATOM 572 N GLU A 44 3.929 6.972 0.796 1.00 0.00 N ATOM 573 CA GLU A 44 3.601 7.877 -0.339 1.00 0.00 C ATOM 574 C GLU A 44 2.499 7.253 -1.203 1.00 0.00 C ATOM 575 O GLU A 44 1.682 7.943 -1.779 1.00 0.00 O ATOM 576 CB GLU A 44 4.906 8.021 -1.130 1.00 0.00 C ATOM 577 CG GLU A 44 5.296 6.675 -1.749 1.00 0.00 C ATOM 578 CD GLU A 44 6.541 6.856 -2.618 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.670 7.909 -3.221 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.345 5.938 -2.667 1.00 0.00 O ATOM 0 H GLU A 44 4.742 6.374 0.648 1.00 0.00 H new ATOM 0 HA GLU A 44 3.230 8.846 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.785 8.769 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.702 8.373 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.490 5.944 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.473 6.287 -2.350 1.00 0.00 H new ATOM 587 N ALA A 45 2.484 5.948 -1.310 1.00 0.00 N ATOM 588 CA ALA A 45 1.450 5.276 -2.152 1.00 0.00 C ATOM 589 C ALA A 45 0.121 5.138 -1.404 1.00 0.00 C ATOM 590 O ALA A 45 -0.938 5.350 -1.963 1.00 0.00 O ATOM 591 CB ALA A 45 2.030 3.894 -2.451 1.00 0.00 C ATOM 0 H ALA A 45 3.143 5.320 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 45 1.235 5.849 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.330 3.331 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.975 4.003 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.199 3.360 -1.516 1.00 0.00 H new ATOM 597 N ALA A 46 0.160 4.757 -0.158 1.00 0.00 N ATOM 598 CA ALA A 46 -1.110 4.577 0.603 1.00 0.00 C ATOM 599 C ALA A 46 -1.686 5.923 1.054 1.00 0.00 C ATOM 600 O ALA A 46 -2.877 6.055 1.247 1.00 0.00 O ATOM 601 CB ALA A 46 -0.730 3.715 1.806 1.00 0.00 C ATOM 0 H ALA A 46 1.013 4.563 0.366 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.884 4.112 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.613 3.536 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.330 2.762 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.025 4.231 2.399 1.00 0.00 H new ATOM 607 N GLN A 47 -0.865 6.923 1.222 1.00 0.00 N ATOM 608 CA GLN A 47 -1.404 8.246 1.658 1.00 0.00 C ATOM 609 C GLN A 47 -2.315 8.819 0.572 1.00 0.00 C ATOM 610 O GLN A 47 -3.283 9.498 0.856 1.00 0.00 O ATOM 611 CB GLN A 47 -0.184 9.140 1.857 1.00 0.00 C ATOM 612 CG GLN A 47 0.321 9.004 3.295 1.00 0.00 C ATOM 613 CD GLN A 47 -0.587 9.800 4.233 1.00 0.00 C ATOM 614 OE1 GLN A 47 -1.399 9.232 4.936 1.00 0.00 O ATOM 615 NE2 GLN A 47 -0.483 11.100 4.275 1.00 0.00 N ATOM 0 H GLN A 47 0.144 6.885 1.079 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.995 8.167 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.603 8.860 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.443 10.178 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.335 7.954 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.346 9.369 3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.199 11.576 3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.084 11.640 4.898 1.00 0.00 H new ATOM 624 N ILE A 48 -2.019 8.548 -0.672 1.00 0.00 N ATOM 625 CA ILE A 48 -2.877 9.074 -1.774 1.00 0.00 C ATOM 626 C ILE A 48 -4.339 8.714 -1.508 1.00 0.00 C ATOM 627 O ILE A 48 -5.248 9.411 -1.913 1.00 0.00 O ATOM 628 CB ILE A 48 -2.369 8.382 -3.039 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.932 8.825 -3.322 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.260 8.763 -4.224 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.890 10.343 -3.504 1.00 0.00 C ATOM 0 H ILE A 48 -1.222 7.986 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.826 10.159 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.396 7.302 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.281 8.529 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.558 8.331 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.897 8.269 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.284 8.448 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.234 9.843 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.134 10.657 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.528 10.627 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.246 10.828 -2.595 1.00 0.00 H new ATOM 643 N ARG A 49 -4.569 7.632 -0.816 1.00 0.00 N ATOM 644 CA ARG A 49 -5.967 7.225 -0.503 1.00 0.00 C ATOM 645 C ARG A 49 -6.691 8.385 0.191 1.00 0.00 C ATOM 646 O ARG A 49 -7.895 8.521 0.102 1.00 0.00 O ATOM 647 CB ARG A 49 -5.812 6.013 0.430 1.00 0.00 C ATOM 648 CG ARG A 49 -7.130 5.710 1.153 1.00 0.00 C ATOM 649 CD ARG A 49 -6.928 5.868 2.663 1.00 0.00 C ATOM 650 NE ARG A 49 -6.425 7.259 2.848 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.142 8.129 3.505 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.404 8.287 3.213 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.597 8.838 4.456 1.00 0.00 N ATOM 0 H ARG A 49 -3.846 7.011 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.556 6.974 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.500 5.142 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.028 6.209 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.912 6.386 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.460 4.697 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.862 5.712 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.214 5.137 3.043 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.521 7.531 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.829 7.731 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.965 8.967 3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.611 8.712 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.157 9.518 4.970 1.00 0.00 H new ATOM 667 N ASP A 50 -5.962 9.224 0.874 1.00 0.00 N ATOM 668 CA ASP A 50 -6.604 10.378 1.565 1.00 0.00 C ATOM 669 C ASP A 50 -6.925 11.480 0.552 1.00 0.00 C ATOM 670 O ASP A 50 -7.912 12.178 0.673 1.00 0.00 O ATOM 671 CB ASP A 50 -5.566 10.863 2.578 1.00 0.00 C ATOM 672 CG ASP A 50 -6.271 11.586 3.726 1.00 0.00 C ATOM 673 OD1 ASP A 50 -7.398 11.226 4.023 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.673 12.490 4.288 1.00 0.00 O ATOM 0 H ASP A 50 -4.950 9.161 0.984 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.542 10.104 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.995 10.018 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.856 11.533 2.094 1.00 0.00 H new ATOM 679 N GLN A 51 -6.100 11.637 -0.447 1.00 0.00 N ATOM 680 CA GLN A 51 -6.361 12.691 -1.469 1.00 0.00 C ATOM 681 C GLN A 51 -7.408 12.202 -2.472 1.00 0.00 C ATOM 682 O GLN A 51 -8.275 12.943 -2.891 1.00 0.00 O ATOM 683 CB GLN A 51 -5.016 12.912 -2.161 1.00 0.00 C ATOM 684 CG GLN A 51 -3.966 13.312 -1.123 1.00 0.00 C ATOM 685 CD GLN A 51 -2.598 13.427 -1.797 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.592 13.055 -1.227 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.517 13.933 -2.998 1.00 0.00 N ATOM 0 H GLN A 51 -5.258 11.082 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.747 13.610 -1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.706 12.002 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.109 13.690 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.238 14.262 -0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.928 12.571 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.361 14.246 -3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.610 14.016 -3.457 1.00 0.00 H new ATOM 696 N LEU A 52 -7.335 10.957 -2.860 1.00 0.00 N ATOM 697 CA LEU A 52 -8.328 10.420 -3.834 1.00 0.00 C ATOM 698 C LEU A 52 -9.732 10.448 -3.225 1.00 0.00 C ATOM 699 O LEU A 52 -10.689 10.835 -3.867 1.00 0.00 O ATOM 700 CB LEU A 52 -7.885 8.979 -4.095 1.00 0.00 C ATOM 701 CG LEU A 52 -7.967 8.684 -5.594 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.407 8.874 -6.075 1.00 0.00 C ATOM 703 CD2 LEU A 52 -7.047 9.643 -6.353 1.00 0.00 C ATOM 0 H LEU A 52 -6.631 10.289 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.368 11.007 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.865 8.831 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.519 8.286 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.655 7.656 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.465 8.664 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.064 8.192 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.720 9.902 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.105 9.434 -7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.360 10.671 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.020 9.509 -6.012 1.00 0.00 H new ATOM 715 N HIS A 53 -9.861 10.043 -1.992 1.00 0.00 N ATOM 716 CA HIS A 53 -11.204 10.049 -1.343 1.00 0.00 C ATOM 717 C HIS A 53 -11.697 11.487 -1.165 1.00 0.00 C ATOM 718 O HIS A 53 -12.859 11.784 -1.358 1.00 0.00 O ATOM 719 CB HIS A 53 -10.989 9.382 0.016 1.00 0.00 C ATOM 720 CG HIS A 53 -12.298 9.313 0.754 1.00 0.00 C ATOM 721 ND1 HIS A 53 -12.769 10.364 1.524 1.00 0.00 N ATOM 722 CD2 HIS A 53 -13.247 8.325 0.847 1.00 0.00 C ATOM 723 CE1 HIS A 53 -13.953 9.988 2.042 1.00 0.00 C ATOM 724 NE2 HIS A 53 -14.291 8.754 1.662 1.00 0.00 N ATOM 0 H HIS A 53 -9.096 9.708 -1.406 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.954 9.528 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.582 8.380 -0.119 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.260 9.946 0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -13.192 7.362 0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.556 10.610 2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -15.133 8.237 1.914 1.00 0.00 H new ATOM 732 N GLN A 54 -10.822 12.383 -0.798 1.00 0.00 N ATOM 733 CA GLN A 54 -11.240 13.802 -0.609 1.00 0.00 C ATOM 734 C GLN A 54 -11.622 14.422 -1.955 1.00 0.00 C ATOM 735 O GLN A 54 -12.598 15.138 -2.065 1.00 0.00 O ATOM 736 CB GLN A 54 -10.013 14.502 -0.025 1.00 0.00 C ATOM 737 CG GLN A 54 -10.196 14.681 1.484 1.00 0.00 C ATOM 738 CD GLN A 54 -9.416 15.910 1.951 1.00 0.00 C ATOM 739 OE1 GLN A 54 -9.844 16.613 2.844 1.00 0.00 O ATOM 740 NE2 GLN A 54 -8.278 16.201 1.381 1.00 0.00 N ATOM 0 H GLN A 54 -9.835 12.194 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.109 13.894 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.117 13.915 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.873 15.472 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.254 14.797 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.846 13.793 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.918 15.611 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.749 17.018 1.686 1.00 0.00 H new ATOM 749 N LEU A 55 -10.861 14.153 -2.980 1.00 0.00 N ATOM 750 CA LEU A 55 -11.183 14.727 -4.319 1.00 0.00 C ATOM 751 C LEU A 55 -12.471 14.107 -4.864 1.00 0.00 C ATOM 752 O LEU A 55 -13.134 14.674 -5.710 1.00 0.00 O ATOM 753 CB LEU A 55 -9.992 14.356 -5.204 1.00 0.00 C ATOM 754 CG LEU A 55 -8.957 15.481 -5.167 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.550 14.880 -5.141 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.112 16.357 -6.413 1.00 0.00 C ATOM 0 H LEU A 55 -10.031 13.561 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.342 15.805 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.544 13.425 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.325 14.188 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.111 16.086 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.812 15.682 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.438 14.254 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.396 14.275 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.375 17.159 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.958 15.751 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.114 16.786 -6.434 1.00 0.00 H new ATOM 768 N ARG A 56 -12.832 12.948 -4.384 1.00 0.00 N ATOM 769 CA ARG A 56 -14.078 12.293 -4.875 1.00 0.00 C ATOM 770 C ARG A 56 -15.277 13.224 -4.680 1.00 0.00 C ATOM 771 O ARG A 56 -16.038 13.472 -5.594 1.00 0.00 O ATOM 772 CB ARG A 56 -14.229 11.037 -4.015 1.00 0.00 C ATOM 773 CG ARG A 56 -15.493 10.281 -4.432 1.00 0.00 C ATOM 774 CD ARG A 56 -16.053 9.521 -3.227 1.00 0.00 C ATOM 775 NE ARG A 56 -17.482 9.270 -3.564 1.00 0.00 N ATOM 776 CZ ARG A 56 -18.316 8.896 -2.632 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.483 9.638 -1.571 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.981 7.781 -2.760 1.00 0.00 N ATOM 0 H ARG A 56 -12.318 12.427 -3.674 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.030 12.057 -5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.355 10.397 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.287 11.310 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.238 10.979 -4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.264 9.586 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.515 8.587 -3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.960 10.106 -2.312 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.809 9.390 -4.523 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.962 10.509 -1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.134 9.347 -0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.849 7.201 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.633 7.489 -2.031 1.00 0.00 H new ATOM 792 N GLU A 57 -15.451 13.742 -3.495 1.00 0.00 N ATOM 793 CA GLU A 57 -16.602 14.657 -3.244 1.00 0.00 C ATOM 794 C GLU A 57 -16.500 15.894 -4.139 1.00 0.00 C ATOM 795 O GLU A 57 -17.492 16.424 -4.598 1.00 0.00 O ATOM 796 CB GLU A 57 -16.480 15.049 -1.770 1.00 0.00 C ATOM 797 CG GLU A 57 -17.673 15.920 -1.372 1.00 0.00 C ATOM 798 CD GLU A 57 -18.751 15.046 -0.729 1.00 0.00 C ATOM 799 OE1 GLU A 57 -18.691 14.856 0.476 1.00 0.00 O ATOM 800 OE2 GLU A 57 -19.618 14.581 -1.450 1.00 0.00 O ATOM 0 H GLU A 57 -14.847 13.572 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.560 14.186 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.445 14.155 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.549 15.591 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.354 16.695 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.076 16.426 -2.249 1.00 0.00 H new ATOM 807 N LEU A 58 -15.307 16.359 -4.391 1.00 0.00 N ATOM 808 CA LEU A 58 -15.143 17.562 -5.257 1.00 0.00 C ATOM 809 C LEU A 58 -15.803 17.328 -6.618 1.00 0.00 C ATOM 810 O LEU A 58 -16.176 18.257 -7.307 1.00 0.00 O ATOM 811 CB LEU A 58 -13.632 17.735 -5.417 1.00 0.00 C ATOM 812 CG LEU A 58 -13.210 19.091 -4.850 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.694 19.113 -4.650 1.00 0.00 C ATOM 814 CD2 LEU A 58 -13.611 20.199 -5.827 1.00 0.00 C ATOM 0 H LEU A 58 -14.439 15.959 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.610 18.447 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.107 16.933 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.357 17.668 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.704 19.253 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.394 20.080 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.407 18.324 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.198 18.950 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.311 21.166 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.117 20.036 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.692 20.185 -5.969 1.00 0.00 H new ATOM 826 N PHE A 59 -15.949 16.092 -7.012 1.00 0.00 N ATOM 827 CA PHE A 59 -16.584 15.800 -8.330 1.00 0.00 C ATOM 828 C PHE A 59 -17.951 16.484 -8.420 1.00 0.00 C ATOM 829 O PHE A 59 -18.389 16.880 -9.483 1.00 0.00 O ATOM 830 CB PHE A 59 -16.743 14.280 -8.365 1.00 0.00 C ATOM 831 CG PHE A 59 -17.439 13.875 -9.641 1.00 0.00 C ATOM 832 CD1 PHE A 59 -18.839 14.020 -9.759 1.00 0.00 C ATOM 833 CD2 PHE A 59 -16.691 13.351 -10.720 1.00 0.00 C ATOM 834 CE1 PHE A 59 -19.493 13.641 -10.953 1.00 0.00 C ATOM 835 CE2 PHE A 59 -17.343 12.973 -11.914 1.00 0.00 C ATOM 836 CZ PHE A 59 -18.743 13.118 -12.031 1.00 0.00 C ATOM 0 H PHE A 59 -15.657 15.273 -6.479 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.989 16.167 -9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.766 13.800 -8.303 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.318 13.944 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.411 14.421 -8.935 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.620 13.240 -10.631 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -20.564 13.751 -11.042 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.771 12.573 -12.738 1.00 0.00 H new ATOM 0 HZ PHE A 59 -19.241 12.829 -12.945 1.00 0.00 H new ATOM 846 N ILE A 60 -18.629 16.626 -7.314 1.00 0.00 N ATOM 847 CA ILE A 60 -19.966 17.285 -7.339 1.00 0.00 C ATOM 848 C ILE A 60 -19.806 18.807 -7.380 1.00 0.00 C ATOM 849 O ILE A 60 -20.640 19.516 -7.906 1.00 0.00 O ATOM 850 CB ILE A 60 -20.645 16.851 -6.039 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.685 15.323 -5.972 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.072 17.400 -6.000 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.207 14.859 -4.596 1.00 0.00 C ATOM 0 H ILE A 60 -18.315 16.315 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.548 17.005 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.084 17.239 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.699 14.967 -6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.052 14.898 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.556 17.091 -5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.045 18.489 -6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.634 17.013 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.236 13.770 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.186 15.203 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.858 15.273 -3.826 1.00 0.00 H new ATOM 865 N ALA A 61 -18.738 19.315 -6.827 1.00 0.00 N ATOM 866 CA ALA A 61 -18.524 20.790 -6.834 1.00 0.00 C ATOM 867 C ALA A 61 -18.248 21.278 -8.259 1.00 0.00 C ATOM 868 O ALA A 61 -18.426 22.437 -8.573 1.00 0.00 O ATOM 869 CB ALA A 61 -17.302 21.018 -5.943 1.00 0.00 C ATOM 0 H ALA A 61 -18.005 18.772 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 61 -19.397 21.335 -6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.079 22.084 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.509 20.647 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.446 20.486 -6.357 1.00 0.00 H new ATOM 875 N ALA A 62 -17.814 20.400 -9.123 1.00 0.00 N ATOM 876 CA ALA A 62 -17.528 20.815 -10.526 1.00 0.00 C ATOM 877 C ALA A 62 -18.650 20.345 -11.457 1.00 0.00 C ATOM 878 O ALA A 62 -19.352 21.141 -12.048 1.00 0.00 O ATOM 879 CB ALA A 62 -16.212 20.123 -10.883 1.00 0.00 C ATOM 0 H ALA A 62 -17.645 19.415 -8.918 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.462 21.898 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.932 20.379 -11.905 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.430 20.453 -10.199 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.335 19.043 -10.800 1.00 0.00 H new ATOM 885 N SER A 63 -18.823 19.059 -11.591 1.00 0.00 N ATOM 886 CA SER A 63 -19.900 18.540 -12.482 1.00 0.00 C ATOM 887 C SER A 63 -21.195 18.343 -11.690 1.00 0.00 C ATOM 888 O SER A 63 -21.111 17.892 -10.559 1.00 0.00 O ATOM 889 CB SER A 63 -19.377 17.201 -12.996 1.00 0.00 C ATOM 890 OG SER A 63 -20.273 16.691 -13.975 1.00 0.00 O ATOM 891 OXT SER A 63 -22.247 18.648 -12.225 1.00 0.00 O ATOM 0 H SER A 63 -18.266 18.345 -11.122 1.00 0.00 H new ATOM 0 HA SER A 63 -20.129 19.228 -13.296 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.383 17.327 -13.426 1.00 0.00 H new ATOM 0 HB3 SER A 63 -19.281 16.495 -12.172 1.00 0.00 H new ATOM 0 HG SER A 63 -19.939 15.832 -14.308 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 34.109 -28.220 0.946 1.00 0.00 N ATOM 899 CA LEU B 8 33.228 -27.020 1.034 1.00 0.00 C ATOM 900 C LEU B 8 31.846 -27.335 0.456 1.00 0.00 C ATOM 901 O LEU B 8 31.495 -26.890 -0.618 1.00 0.00 O ATOM 902 CB LEU B 8 33.930 -25.951 0.195 1.00 0.00 C ATOM 903 CG LEU B 8 34.163 -26.483 -1.220 1.00 0.00 C ATOM 904 CD1 LEU B 8 33.817 -25.396 -2.239 1.00 0.00 C ATOM 905 CD2 LEU B 8 35.634 -26.878 -1.378 1.00 0.00 C ATOM 0 HA LEU B 8 33.075 -26.695 2.063 1.00 0.00 H new ATOM 0 HB2 LEU B 8 33.324 -25.046 0.159 1.00 0.00 H new ATOM 0 HB3 LEU B 8 34.881 -25.680 0.654 1.00 0.00 H new ATOM 0 HG LEU B 8 33.530 -27.354 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU B 8 33.983 -25.776 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU B 8 32.771 -25.112 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU B 8 34.450 -24.525 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU B 8 35.803 -27.258 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU B 8 36.265 -26.006 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU B 8 35.883 -27.652 -0.652 1.00 0.00 H new ATOM 917 N GLU B 9 31.059 -28.100 1.163 1.00 0.00 N ATOM 918 CA GLU B 9 29.699 -28.444 0.654 1.00 0.00 C ATOM 919 C GLU B 9 28.638 -28.099 1.707 1.00 0.00 C ATOM 920 O GLU B 9 27.940 -28.970 2.188 1.00 0.00 O ATOM 921 CB GLU B 9 29.738 -29.953 0.407 1.00 0.00 C ATOM 922 CG GLU B 9 28.520 -30.367 -0.421 1.00 0.00 C ATOM 923 CD GLU B 9 28.312 -31.878 -0.301 1.00 0.00 C ATOM 924 OE1 GLU B 9 27.634 -32.290 0.625 1.00 0.00 O ATOM 925 OE2 GLU B 9 28.833 -32.595 -1.139 1.00 0.00 O ATOM 0 H GLU B 9 31.298 -28.501 2.070 1.00 0.00 H new ATOM 0 HA GLU B 9 29.443 -27.890 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU B 9 30.655 -30.223 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU B 9 29.744 -30.488 1.357 1.00 0.00 H new ATOM 0 HG2 GLU B 9 27.633 -29.838 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU B 9 28.666 -30.091 -1.465 1.00 0.00 H new ATOM 932 N PRO B 10 28.548 -26.832 2.034 1.00 0.00 N ATOM 933 CA PRO B 10 27.559 -26.379 3.042 1.00 0.00 C ATOM 934 C PRO B 10 26.142 -26.418 2.459 1.00 0.00 C ATOM 935 O PRO B 10 25.241 -26.992 3.036 1.00 0.00 O ATOM 936 CB PRO B 10 27.982 -24.944 3.343 1.00 0.00 C ATOM 937 CG PRO B 10 28.719 -24.493 2.123 1.00 0.00 C ATOM 938 CD PRO B 10 29.346 -25.716 1.506 1.00 0.00 C ATOM 0 HA PRO B 10 27.539 -27.008 3.932 1.00 0.00 H new ATOM 0 HB2 PRO B 10 27.117 -24.310 3.538 1.00 0.00 H new ATOM 0 HB3 PRO B 10 28.617 -24.897 4.228 1.00 0.00 H new ATOM 0 HG2 PRO B 10 28.040 -24.012 1.419 1.00 0.00 H new ATOM 0 HG3 PRO B 10 29.482 -23.759 2.383 1.00 0.00 H new ATOM 0 HD2 PRO B 10 29.307 -25.678 0.417 1.00 0.00 H new ATOM 0 HD3 PRO B 10 30.396 -25.810 1.784 1.00 0.00 H new ATOM 946 N ASP B 11 25.945 -25.813 1.315 1.00 0.00 N ATOM 947 CA ASP B 11 24.589 -25.805 0.681 1.00 0.00 C ATOM 948 C ASP B 11 23.576 -25.104 1.592 1.00 0.00 C ATOM 949 O ASP B 11 23.242 -23.953 1.393 1.00 0.00 O ATOM 950 CB ASP B 11 24.213 -27.278 0.486 1.00 0.00 C ATOM 951 CG ASP B 11 24.124 -27.588 -1.009 1.00 0.00 C ATOM 952 OD1 ASP B 11 23.123 -27.234 -1.609 1.00 0.00 O ATOM 953 OD2 ASP B 11 25.058 -28.175 -1.529 1.00 0.00 O ATOM 0 H ASP B 11 26.668 -25.322 0.789 1.00 0.00 H new ATOM 0 HA ASP B 11 24.590 -25.264 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP B 11 24.957 -27.920 0.958 1.00 0.00 H new ATOM 0 HB3 ASP B 11 23.259 -27.488 0.969 1.00 0.00 H new ATOM 958 N ASN B 12 23.086 -25.787 2.590 1.00 0.00 N ATOM 959 CA ASN B 12 22.097 -25.157 3.511 1.00 0.00 C ATOM 960 C ASN B 12 22.399 -25.551 4.959 1.00 0.00 C ATOM 961 O ASN B 12 21.514 -25.637 5.786 1.00 0.00 O ATOM 962 CB ASN B 12 20.741 -25.712 3.075 1.00 0.00 C ATOM 963 CG ASN B 12 20.775 -27.241 3.123 1.00 0.00 C ATOM 964 OD1 ASN B 12 21.020 -27.886 2.123 1.00 0.00 O ATOM 965 ND2 ASN B 12 20.542 -27.853 4.252 1.00 0.00 N ATOM 0 H ASN B 12 23.327 -26.754 2.808 1.00 0.00 H new ATOM 0 HA ASN B 12 22.125 -24.068 3.466 1.00 0.00 H new ATOM 0 HB2 ASN B 12 19.955 -25.335 3.729 1.00 0.00 H new ATOM 0 HB3 ASN B 12 20.506 -25.375 2.066 1.00 0.00 H new ATOM 0 HD21 ASN B 12 20.566 -28.872 4.294 1.00 0.00 H new ATOM 0 HD22 ASN B 12 20.336 -27.312 5.092 1.00 0.00 H new ATOM 972 N VAL B 13 23.643 -25.791 5.271 1.00 0.00 N ATOM 973 CA VAL B 13 24.002 -26.181 6.665 1.00 0.00 C ATOM 974 C VAL B 13 24.280 -24.927 7.522 1.00 0.00 C ATOM 975 O VAL B 13 23.789 -24.827 8.628 1.00 0.00 O ATOM 976 CB VAL B 13 25.244 -27.086 6.511 1.00 0.00 C ATOM 977 CG1 VAL B 13 26.132 -27.032 7.762 1.00 0.00 C ATOM 978 CG2 VAL B 13 24.780 -28.529 6.295 1.00 0.00 C ATOM 0 H VAL B 13 24.427 -25.734 4.621 1.00 0.00 H new ATOM 0 HA VAL B 13 23.200 -26.707 7.182 1.00 0.00 H new ATOM 0 HB VAL B 13 25.826 -26.732 5.660 1.00 0.00 H new ATOM 0 HG11 VAL B 13 26.998 -27.680 7.622 1.00 0.00 H new ATOM 0 HG12 VAL B 13 26.468 -26.008 7.926 1.00 0.00 H new ATOM 0 HG13 VAL B 13 25.562 -27.370 8.628 1.00 0.00 H new ATOM 0 HG21 VAL B 13 25.649 -29.178 6.185 1.00 0.00 H new ATOM 0 HG22 VAL B 13 24.191 -28.854 7.153 1.00 0.00 H new ATOM 0 HG23 VAL B 13 24.170 -28.584 5.394 1.00 0.00 H new ATOM 988 N PRO B 14 25.056 -24.009 6.994 1.00 0.00 N ATOM 989 CA PRO B 14 25.375 -22.778 7.742 1.00 0.00 C ATOM 990 C PRO B 14 24.284 -21.735 7.515 1.00 0.00 C ATOM 991 O PRO B 14 23.805 -21.107 8.439 1.00 0.00 O ATOM 992 CB PRO B 14 26.693 -22.324 7.130 1.00 0.00 C ATOM 993 CG PRO B 14 26.717 -22.902 5.745 1.00 0.00 C ATOM 994 CD PRO B 14 25.699 -24.018 5.681 1.00 0.00 C ATOM 0 HA PRO B 14 25.442 -22.928 8.820 1.00 0.00 H new ATOM 0 HB2 PRO B 14 26.758 -21.236 7.102 1.00 0.00 H new ATOM 0 HB3 PRO B 14 27.540 -22.678 7.717 1.00 0.00 H new ATOM 0 HG2 PRO B 14 26.485 -22.133 5.008 1.00 0.00 H new ATOM 0 HG3 PRO B 14 27.711 -23.281 5.508 1.00 0.00 H new ATOM 0 HD2 PRO B 14 24.975 -23.848 4.884 1.00 0.00 H new ATOM 0 HD3 PRO B 14 26.175 -24.978 5.480 1.00 0.00 H new ATOM 1002 N MET B 15 23.885 -21.545 6.287 1.00 0.00 N ATOM 1003 CA MET B 15 22.824 -20.544 6.001 1.00 0.00 C ATOM 1004 C MET B 15 21.685 -21.190 5.207 1.00 0.00 C ATOM 1005 O MET B 15 21.584 -22.397 5.117 1.00 0.00 O ATOM 1006 CB MET B 15 23.512 -19.459 5.172 1.00 0.00 C ATOM 1007 CG MET B 15 23.216 -18.085 5.783 1.00 0.00 C ATOM 1008 SD MET B 15 24.760 -17.323 6.345 1.00 0.00 S ATOM 1009 CE MET B 15 24.543 -15.732 5.509 1.00 0.00 C ATOM 0 H MET B 15 24.248 -22.040 5.472 1.00 0.00 H new ATOM 0 HA MET B 15 22.383 -20.139 6.912 1.00 0.00 H new ATOM 0 HB2 MET B 15 24.588 -19.633 5.146 1.00 0.00 H new ATOM 0 HB3 MET B 15 23.158 -19.495 4.142 1.00 0.00 H new ATOM 0 HG2 MET B 15 22.730 -17.445 5.046 1.00 0.00 H new ATOM 0 HG3 MET B 15 22.525 -18.189 6.619 1.00 0.00 H new ATOM 0 HE1 MET B 15 25.398 -15.090 5.722 1.00 0.00 H new ATOM 0 HE2 MET B 15 24.469 -15.893 4.434 1.00 0.00 H new ATOM 0 HE3 MET B 15 23.632 -15.254 5.868 1.00 0.00 H new ATOM 1019 N ASP B 16 20.824 -20.392 4.633 1.00 0.00 N ATOM 1020 CA ASP B 16 19.687 -20.956 3.848 1.00 0.00 C ATOM 1021 C ASP B 16 18.856 -21.889 4.727 1.00 0.00 C ATOM 1022 O ASP B 16 18.824 -23.087 4.527 1.00 0.00 O ATOM 1023 CB ASP B 16 20.330 -21.729 2.695 1.00 0.00 C ATOM 1024 CG ASP B 16 19.510 -21.522 1.420 1.00 0.00 C ATOM 1025 OD1 ASP B 16 19.460 -20.399 0.947 1.00 0.00 O ATOM 1026 OD2 ASP B 16 18.946 -22.490 0.938 1.00 0.00 O ATOM 0 H ASP B 16 20.859 -19.373 4.674 1.00 0.00 H new ATOM 0 HA ASP B 16 19.015 -20.179 3.482 1.00 0.00 H new ATOM 0 HB2 ASP B 16 21.354 -21.388 2.541 1.00 0.00 H new ATOM 0 HB3 ASP B 16 20.381 -22.790 2.939 1.00 0.00 H new ATOM 1031 N MET B 17 18.188 -21.346 5.707 1.00 0.00 N ATOM 1032 CA MET B 17 17.362 -22.198 6.611 1.00 0.00 C ATOM 1033 C MET B 17 16.604 -21.323 7.615 1.00 0.00 C ATOM 1034 O MET B 17 15.474 -21.600 7.965 1.00 0.00 O ATOM 1035 CB MET B 17 18.362 -23.104 7.337 1.00 0.00 C ATOM 1036 CG MET B 17 19.475 -22.252 7.955 1.00 0.00 C ATOM 1037 SD MET B 17 20.766 -23.336 8.615 1.00 0.00 S ATOM 1038 CE MET B 17 19.900 -23.822 10.129 1.00 0.00 C ATOM 0 H MET B 17 18.178 -20.349 5.922 1.00 0.00 H new ATOM 0 HA MET B 17 16.617 -22.775 6.063 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.853 -23.674 8.114 1.00 0.00 H new ATOM 0 HB3 MET B 17 18.788 -23.825 6.639 1.00 0.00 H new ATOM 0 HG2 MET B 17 19.895 -21.583 7.204 1.00 0.00 H new ATOM 0 HG3 MET B 17 19.070 -21.625 8.749 1.00 0.00 H new ATOM 0 HE1 MET B 17 20.534 -23.618 10.992 1.00 0.00 H new ATOM 0 HE2 MET B 17 18.974 -23.254 10.217 1.00 0.00 H new ATOM 0 HE3 MET B 17 19.670 -24.887 10.091 1.00 0.00 H new ATOM 1048 N SER B 18 17.219 -20.269 8.081 1.00 0.00 N ATOM 1049 CA SER B 18 16.536 -19.376 9.064 1.00 0.00 C ATOM 1050 C SER B 18 16.064 -20.187 10.278 1.00 0.00 C ATOM 1051 O SER B 18 16.155 -21.398 10.284 1.00 0.00 O ATOM 1052 CB SER B 18 15.342 -18.791 8.310 1.00 0.00 C ATOM 1053 OG SER B 18 15.755 -18.406 7.005 1.00 0.00 O ATOM 0 H SER B 18 18.165 -19.987 7.824 1.00 0.00 H new ATOM 0 HA SER B 18 17.198 -18.596 9.442 1.00 0.00 H new ATOM 0 HB2 SER B 18 14.540 -19.527 8.248 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.944 -17.930 8.847 1.00 0.00 H new ATOM 0 HG SER B 18 14.992 -18.032 6.517 1.00 0.00 H new ATOM 1059 N PRO B 19 15.573 -19.489 11.275 1.00 0.00 N ATOM 1060 CA PRO B 19 15.088 -20.155 12.502 1.00 0.00 C ATOM 1061 C PRO B 19 13.629 -20.613 12.360 1.00 0.00 C ATOM 1062 O PRO B 19 12.972 -20.921 13.333 1.00 0.00 O ATOM 1063 CB PRO B 19 15.225 -19.074 13.566 1.00 0.00 C ATOM 1064 CG PRO B 19 15.174 -17.766 12.829 1.00 0.00 C ATOM 1065 CD PRO B 19 15.433 -18.033 11.363 1.00 0.00 C ATOM 0 HA PRO B 19 15.647 -21.061 12.737 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.421 -19.142 14.298 1.00 0.00 H new ATOM 0 HB3 PRO B 19 16.163 -19.179 14.112 1.00 0.00 H new ATOM 0 HG2 PRO B 19 14.201 -17.294 12.962 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.920 -17.077 13.227 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.611 -17.675 10.743 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.335 -17.526 11.020 1.00 0.00 H new ATOM 1073 N LYS B 20 13.128 -20.683 11.152 1.00 0.00 N ATOM 1074 CA LYS B 20 11.717 -21.143 10.924 1.00 0.00 C ATOM 1075 C LYS B 20 10.700 -20.181 11.552 1.00 0.00 C ATOM 1076 O LYS B 20 9.947 -19.528 10.856 1.00 0.00 O ATOM 1077 CB LYS B 20 11.624 -22.527 11.577 1.00 0.00 C ATOM 1078 CG LYS B 20 10.466 -23.309 10.954 1.00 0.00 C ATOM 1079 CD LYS B 20 9.152 -22.887 11.612 1.00 0.00 C ATOM 1080 CE LYS B 20 8.510 -24.097 12.294 1.00 0.00 C ATOM 1081 NZ LYS B 20 7.043 -23.886 12.149 1.00 0.00 N ATOM 0 H LYS B 20 13.639 -20.439 10.304 1.00 0.00 H new ATOM 0 HA LYS B 20 11.484 -21.176 9.860 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.559 -23.070 11.439 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.471 -22.424 12.651 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.424 -23.123 9.881 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.624 -24.379 11.086 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.336 -22.099 12.343 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.474 -22.476 10.864 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.824 -25.028 11.823 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.798 -24.158 13.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 6.533 -24.676 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.773 -22.995 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.797 -23.839 11.140 1.00 0.00 H new ATOM 1095 N ALA B 21 10.658 -20.099 12.857 1.00 0.00 N ATOM 1096 CA ALA B 21 9.675 -19.191 13.531 1.00 0.00 C ATOM 1097 C ALA B 21 9.657 -17.812 12.863 1.00 0.00 C ATOM 1098 O ALA B 21 8.611 -17.262 12.578 1.00 0.00 O ATOM 1099 CB ALA B 21 10.170 -19.078 14.973 1.00 0.00 C ATOM 0 H ALA B 21 11.263 -20.623 13.489 1.00 0.00 H new ATOM 0 HA ALA B 21 8.658 -19.578 13.471 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.502 -18.427 15.537 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.185 -20.067 15.431 1.00 0.00 H new ATOM 0 HB3 ALA B 21 11.176 -18.659 14.980 1.00 0.00 H new ATOM 1105 N LEU B 22 10.805 -17.253 12.608 1.00 0.00 N ATOM 1106 CA LEU B 22 10.856 -15.914 11.952 1.00 0.00 C ATOM 1107 C LEU B 22 10.656 -16.075 10.448 1.00 0.00 C ATOM 1108 O LEU B 22 9.911 -15.347 9.822 1.00 0.00 O ATOM 1109 CB LEU B 22 12.256 -15.380 12.247 1.00 0.00 C ATOM 1110 CG LEU B 22 12.326 -14.896 13.696 1.00 0.00 C ATOM 1111 CD1 LEU B 22 12.286 -16.100 14.636 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.631 -14.124 13.913 1.00 0.00 C ATOM 0 H LEU B 22 11.713 -17.664 12.825 1.00 0.00 H new ATOM 0 HA LEU B 22 10.081 -15.240 12.316 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.997 -16.161 12.078 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.495 -14.562 11.568 1.00 0.00 H new ATOM 0 HG LEU B 22 11.478 -14.243 13.903 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.336 -15.757 15.669 1.00 0.00 H new ATOM 0 HD12 LEU B 22 11.359 -16.652 14.481 1.00 0.00 H new ATOM 0 HD13 LEU B 22 13.135 -16.752 14.429 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.682 -13.778 14.946 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.479 -14.777 13.707 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.662 -13.266 13.241 1.00 0.00 H new ATOM 1124 N GLN B 23 11.324 -17.031 9.868 1.00 0.00 N ATOM 1125 CA GLN B 23 11.188 -17.257 8.399 1.00 0.00 C ATOM 1126 C GLN B 23 9.712 -17.380 8.013 1.00 0.00 C ATOM 1127 O GLN B 23 9.291 -16.908 6.975 1.00 0.00 O ATOM 1128 CB GLN B 23 11.922 -18.572 8.135 1.00 0.00 C ATOM 1129 CG GLN B 23 11.938 -18.855 6.632 1.00 0.00 C ATOM 1130 CD GLN B 23 11.986 -20.365 6.397 1.00 0.00 C ATOM 1131 OE1 GLN B 23 11.913 -21.140 7.330 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.108 -20.821 5.180 1.00 0.00 N ATOM 0 H GLN B 23 11.960 -17.668 10.347 1.00 0.00 H new ATOM 0 HA GLN B 23 11.598 -16.433 7.815 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.942 -18.514 8.516 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.430 -19.388 8.664 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.050 -18.431 6.162 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.802 -18.377 6.170 1.00 0.00 H new ATOM 0 HE21 GLN B 23 12.169 -20.172 4.396 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.142 -21.827 5.013 1.00 0.00 H new ATOM 1141 N GLN B 24 8.922 -18.013 8.837 1.00 0.00 N ATOM 1142 CA GLN B 24 7.475 -18.169 8.512 1.00 0.00 C ATOM 1143 C GLN B 24 6.723 -16.865 8.796 1.00 0.00 C ATOM 1144 O GLN B 24 5.873 -16.449 8.034 1.00 0.00 O ATOM 1145 CB GLN B 24 6.980 -19.283 9.435 1.00 0.00 C ATOM 1146 CG GLN B 24 6.222 -20.327 8.613 1.00 0.00 C ATOM 1147 CD GLN B 24 4.719 -20.169 8.848 1.00 0.00 C ATOM 1148 OE1 GLN B 24 4.205 -20.584 9.868 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.987 -19.584 7.940 1.00 0.00 N ATOM 0 H GLN B 24 9.216 -18.429 9.721 1.00 0.00 H new ATOM 0 HA GLN B 24 7.312 -18.406 7.461 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.823 -19.749 9.945 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.330 -18.869 10.206 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.450 -20.207 7.554 1.00 0.00 H new ATOM 0 HG3 GLN B 24 6.542 -21.330 8.896 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.418 -19.236 7.084 1.00 0.00 H new ATOM 0 HE22 GLN B 24 2.983 -19.475 8.086 1.00 0.00 H new ATOM 1158 N LYS B 25 7.027 -16.217 9.888 1.00 0.00 N ATOM 1159 CA LYS B 25 6.327 -14.943 10.219 1.00 0.00 C ATOM 1160 C LYS B 25 6.800 -13.820 9.291 1.00 0.00 C ATOM 1161 O LYS B 25 6.020 -13.003 8.842 1.00 0.00 O ATOM 1162 CB LYS B 25 6.716 -14.643 11.666 1.00 0.00 C ATOM 1163 CG LYS B 25 5.932 -15.559 12.607 1.00 0.00 C ATOM 1164 CD LYS B 25 6.653 -15.646 13.954 1.00 0.00 C ATOM 1165 CE LYS B 25 5.892 -14.820 14.994 1.00 0.00 C ATOM 1166 NZ LYS B 25 5.910 -15.649 16.231 1.00 0.00 N ATOM 0 H LYS B 25 7.730 -16.515 10.565 1.00 0.00 H new ATOM 0 HA LYS B 25 5.247 -15.021 10.095 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.787 -14.793 11.804 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.508 -13.599 11.901 1.00 0.00 H new ATOM 0 HG2 LYS B 25 4.922 -15.175 12.748 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.837 -16.552 12.169 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.719 -16.685 14.277 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.674 -15.277 13.857 1.00 0.00 H new ATOM 0 HE2 LYS B 25 6.371 -13.855 15.159 1.00 0.00 H new ATOM 0 HE3 LYS B 25 4.871 -14.619 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.407 -15.149 16.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 5.442 -16.559 16.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 6.894 -15.819 16.521 1.00 0.00 H new ATOM 1180 N ILE B 26 8.072 -13.770 9.003 1.00 0.00 N ATOM 1181 CA ILE B 26 8.593 -12.698 8.106 1.00 0.00 C ATOM 1182 C ILE B 26 8.044 -12.878 6.688 1.00 0.00 C ATOM 1183 O ILE B 26 7.648 -11.929 6.041 1.00 0.00 O ATOM 1184 CB ILE B 26 10.111 -12.873 8.120 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.639 -12.625 9.535 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.750 -11.873 7.155 1.00 0.00 C ATOM 1187 CD1 ILE B 26 12.075 -13.140 9.642 1.00 0.00 C ATOM 0 H ILE B 26 8.773 -14.425 9.350 1.00 0.00 H new ATOM 0 HA ILE B 26 8.294 -11.703 8.436 1.00 0.00 H new ATOM 0 HB ILE B 26 10.362 -13.887 7.810 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.605 -11.560 9.766 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.005 -13.129 10.265 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.833 -11.998 7.165 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.374 -12.049 6.147 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.499 -10.858 7.464 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.451 -12.963 10.650 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.095 -14.209 9.430 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.704 -12.615 8.923 1.00 0.00 H new ATOM 1199 N HIS B 27 8.019 -14.088 6.200 1.00 0.00 N ATOM 1200 CA HIS B 27 7.497 -14.326 4.823 1.00 0.00 C ATOM 1201 C HIS B 27 5.966 -14.273 4.815 1.00 0.00 C ATOM 1202 O HIS B 27 5.348 -14.082 3.787 1.00 0.00 O ATOM 1203 CB HIS B 27 7.987 -15.725 4.450 1.00 0.00 C ATOM 1204 CG HIS B 27 8.341 -15.760 2.989 1.00 0.00 C ATOM 1205 ND1 HIS B 27 7.434 -16.154 2.019 1.00 0.00 N ATOM 1206 CD2 HIS B 27 9.498 -15.452 2.318 1.00 0.00 C ATOM 1207 CE1 HIS B 27 8.054 -16.074 0.827 1.00 0.00 C ATOM 1208 NE2 HIS B 27 9.315 -15.651 0.953 1.00 0.00 N ATOM 0 H HIS B 27 8.337 -14.922 6.694 1.00 0.00 H new ATOM 0 HA HIS B 27 7.842 -13.570 4.117 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.856 -15.990 5.052 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.213 -16.462 4.665 1.00 0.00 H new ATOM 0 HD2 HIS B 27 10.412 -15.108 2.779 1.00 0.00 H new ATOM 0 HE1 HIS B 27 7.589 -16.321 -0.116 1.00 0.00 H new ATOM 0 HE2 HIS B 27 9.997 -15.505 0.209 1.00 0.00 H new ATOM 1216 N GLU B 28 5.350 -14.443 5.954 1.00 0.00 N ATOM 1217 CA GLU B 28 3.860 -14.405 6.006 1.00 0.00 C ATOM 1218 C GLU B 28 3.364 -12.955 5.991 1.00 0.00 C ATOM 1219 O GLU B 28 2.545 -12.579 5.177 1.00 0.00 O ATOM 1220 CB GLU B 28 3.493 -15.082 7.327 1.00 0.00 C ATOM 1221 CG GLU B 28 3.365 -16.591 7.109 1.00 0.00 C ATOM 1222 CD GLU B 28 1.993 -16.905 6.509 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.049 -16.207 6.840 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.911 -17.838 5.727 1.00 0.00 O ATOM 0 H GLU B 28 5.813 -14.606 6.848 1.00 0.00 H new ATOM 0 HA GLU B 28 3.405 -14.904 5.150 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.256 -14.876 8.078 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.555 -14.678 7.707 1.00 0.00 H new ATOM 0 HG2 GLU B 28 4.154 -16.941 6.443 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.489 -17.118 8.055 1.00 0.00 H new ATOM 1231 N LEU B 29 3.855 -12.142 6.885 1.00 0.00 N ATOM 1232 CA LEU B 29 3.409 -10.718 6.920 1.00 0.00 C ATOM 1233 C LEU B 29 3.820 -9.999 5.633 1.00 0.00 C ATOM 1234 O LEU B 29 3.188 -9.052 5.210 1.00 0.00 O ATOM 1235 CB LEU B 29 4.127 -10.109 8.126 1.00 0.00 C ATOM 1236 CG LEU B 29 3.427 -10.552 9.413 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.384 -10.388 10.595 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.185 -9.689 9.640 1.00 0.00 C ATOM 0 H LEU B 29 4.544 -12.400 7.592 1.00 0.00 H new ATOM 0 HA LEU B 29 2.326 -10.628 7.000 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.170 -10.425 8.139 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.124 -9.021 8.054 1.00 0.00 H new ATOM 0 HG LEU B 29 3.132 -11.598 9.326 1.00 0.00 H new ATOM 0 HD11 LEU B 29 3.887 -10.703 11.512 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.270 -11.002 10.433 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.678 -9.342 10.683 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.686 -10.004 10.556 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.480 -8.643 9.728 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.503 -9.804 8.797 1.00 0.00 H new ATOM 1250 N GLU B 30 4.877 -10.440 5.006 1.00 0.00 N ATOM 1251 CA GLU B 30 5.328 -9.780 3.747 1.00 0.00 C ATOM 1252 C GLU B 30 4.271 -9.949 2.652 1.00 0.00 C ATOM 1253 O GLU B 30 4.064 -9.073 1.836 1.00 0.00 O ATOM 1254 CB GLU B 30 6.619 -10.501 3.362 1.00 0.00 C ATOM 1255 CG GLU B 30 7.292 -9.760 2.205 1.00 0.00 C ATOM 1256 CD GLU B 30 7.710 -10.765 1.129 1.00 0.00 C ATOM 1257 OE1 GLU B 30 8.092 -11.865 1.491 1.00 0.00 O ATOM 1258 OE2 GLU B 30 7.641 -10.417 -0.038 1.00 0.00 O ATOM 0 H GLU B 30 5.448 -11.229 5.311 1.00 0.00 H new ATOM 0 HA GLU B 30 5.482 -8.709 3.875 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.292 -10.547 4.219 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.401 -11.529 3.072 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.608 -9.024 1.784 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.164 -9.215 2.567 1.00 0.00 H new ATOM 1265 N GLY B 31 3.602 -11.069 2.626 1.00 0.00 N ATOM 1266 CA GLY B 31 2.562 -11.292 1.582 1.00 0.00 C ATOM 1267 C GLY B 31 1.295 -10.514 1.943 1.00 0.00 C ATOM 1268 O GLY B 31 0.487 -10.196 1.094 1.00 0.00 O ATOM 0 H GLY B 31 3.730 -11.839 3.282 1.00 0.00 H new ATOM 0 HA2 GLY B 31 2.934 -10.969 0.610 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.337 -12.355 1.500 1.00 0.00 H new ATOM 1272 N LEU B 32 1.114 -10.205 3.198 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.103 -9.448 3.611 1.00 0.00 C ATOM 1274 C LEU B 32 -0.057 -8.023 3.053 1.00 0.00 C ATOM 1275 O LEU B 32 -1.077 -7.410 2.804 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.057 -9.428 5.140 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.456 -9.148 5.690 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.348 -10.370 5.459 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.364 -8.860 7.190 1.00 0.00 C ATOM 0 H LEU B 32 1.755 -10.443 3.955 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.019 -9.904 3.236 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.308 -10.384 5.516 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.640 -8.663 5.483 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.883 -8.285 5.179 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.346 -10.172 5.851 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.412 -10.577 4.391 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.922 -11.233 5.971 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.360 -8.660 7.584 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.938 -9.724 7.701 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.727 -7.991 7.355 1.00 0.00 H new ATOM 1291 N MET B 33 1.118 -7.490 2.858 1.00 0.00 N ATOM 1292 CA MET B 33 1.228 -6.104 2.317 1.00 0.00 C ATOM 1293 C MET B 33 0.593 -6.025 0.926 1.00 0.00 C ATOM 1294 O MET B 33 -0.389 -5.341 0.719 1.00 0.00 O ATOM 1295 CB MET B 33 2.730 -5.828 2.238 1.00 0.00 C ATOM 1296 CG MET B 33 3.243 -5.398 3.613 1.00 0.00 C ATOM 1297 SD MET B 33 4.858 -6.156 3.919 1.00 0.00 S ATOM 1298 CE MET B 33 5.830 -5.052 2.865 1.00 0.00 C ATOM 0 H MET B 33 2.006 -7.953 3.049 1.00 0.00 H new ATOM 0 HA MET B 33 0.712 -5.375 2.942 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.258 -6.722 1.904 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.929 -5.048 1.504 1.00 0.00 H new ATOM 0 HG2 MET B 33 3.324 -4.312 3.659 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.536 -5.698 4.387 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.841 -5.445 2.762 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.365 -4.985 1.882 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.870 -4.061 3.316 1.00 0.00 H new ATOM 1308 N MET B 34 1.150 -6.717 -0.030 1.00 0.00 N ATOM 1309 CA MET B 34 0.580 -6.679 -1.408 1.00 0.00 C ATOM 1310 C MET B 34 -0.862 -7.193 -1.401 1.00 0.00 C ATOM 1311 O MET B 34 -1.687 -6.769 -2.187 1.00 0.00 O ATOM 1312 CB MET B 34 1.475 -7.606 -2.231 1.00 0.00 C ATOM 1313 CG MET B 34 1.035 -7.574 -3.695 1.00 0.00 C ATOM 1314 SD MET B 34 1.576 -6.023 -4.454 1.00 0.00 S ATOM 1315 CE MET B 34 3.352 -6.251 -4.195 1.00 0.00 C ATOM 0 H MET B 34 1.975 -7.307 0.083 1.00 0.00 H new ATOM 0 HA MET B 34 0.553 -5.668 -1.815 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.516 -7.293 -2.146 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.415 -8.623 -1.845 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.460 -8.422 -4.232 1.00 0.00 H new ATOM 0 HG3 MET B 34 -0.049 -7.665 -3.762 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.901 -5.811 -5.028 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.650 -5.764 -3.266 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.577 -7.316 -4.135 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.173 -8.105 -0.522 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.562 -8.647 -0.467 1.00 0.00 C ATOM 1327 C GLN B 35 -3.572 -7.506 -0.312 1.00 0.00 C ATOM 1328 O GLN B 35 -4.235 -7.120 -1.254 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.580 -9.560 0.762 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.000 -10.080 0.997 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.052 -11.580 0.698 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.624 -11.995 -0.291 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.473 -12.416 1.516 1.00 0.00 N ATOM 0 H GLN B 35 -0.526 -8.499 0.161 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.834 -9.184 -1.376 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -1.896 -10.396 0.616 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.233 -9.013 1.639 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.301 -9.894 2.028 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.704 -9.547 0.358 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -2.993 -12.068 2.346 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.500 -13.418 1.325 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.698 -6.965 0.869 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.668 -5.853 1.080 1.00 0.00 C ATOM 1344 C HIS B 36 -4.324 -4.667 0.171 1.00 0.00 C ATOM 1345 O HIS B 36 -5.188 -4.080 -0.449 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.516 -5.473 2.552 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.366 -6.387 3.393 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.162 -6.538 4.756 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.424 -7.202 3.079 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -6.077 -7.417 5.207 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -6.872 -7.852 4.225 1.00 0.00 N ATOM 0 H HIS B 36 -3.171 -7.245 1.697 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.691 -6.143 0.840 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.471 -5.550 2.853 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.816 -4.436 2.705 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.845 -7.321 2.092 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -6.158 -7.732 6.237 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -7.642 -8.517 4.299 1.00 0.00 H new ATOM 1359 N ALA B 37 -3.068 -4.316 0.079 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.667 -3.174 -0.799 1.00 0.00 C ATOM 1361 C ALA B 37 -3.294 -3.335 -2.188 1.00 0.00 C ATOM 1362 O ALA B 37 -3.738 -2.380 -2.795 1.00 0.00 O ATOM 1363 CB ALA B 37 -1.144 -3.261 -0.888 1.00 0.00 C ATOM 0 H ALA B 37 -2.301 -4.771 0.574 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.999 -2.213 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.770 -2.454 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.715 -3.171 0.110 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.859 -4.220 -1.320 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.345 -4.541 -2.692 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.953 -4.764 -4.034 1.00 0.00 C ATOM 1371 C GLN B 38 -5.412 -4.306 -4.013 1.00 0.00 C ATOM 1372 O GLN B 38 -5.921 -3.772 -4.979 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.863 -6.272 -4.271 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.726 -6.568 -5.251 1.00 0.00 C ATOM 1375 CD GLN B 38 -3.279 -7.321 -6.462 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -4.372 -7.046 -6.918 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -2.565 -8.267 -7.008 1.00 0.00 N ATOM 0 H GLN B 38 -2.992 -5.379 -2.231 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.447 -4.206 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.688 -6.789 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.807 -6.645 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.256 -5.638 -5.571 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.955 -7.162 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.648 -8.499 -6.626 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -2.924 -8.775 -7.816 1.00 0.00 H new ATOM 1386 N ASN B 39 -6.080 -4.495 -2.908 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.500 -4.054 -2.808 1.00 0.00 C ATOM 1388 C ASN B 39 -7.560 -2.624 -2.257 1.00 0.00 C ATOM 1389 O ASN B 39 -8.586 -2.171 -1.788 1.00 0.00 O ATOM 1390 CB ASN B 39 -8.153 -5.034 -1.832 1.00 0.00 C ATOM 1391 CG ASN B 39 -8.773 -6.195 -2.613 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -9.978 -6.283 -2.740 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.993 -7.096 -3.146 1.00 0.00 N ATOM 0 H ASN B 39 -5.703 -4.936 -2.069 1.00 0.00 H new ATOM 0 HA ASN B 39 -8.005 -4.050 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.411 -5.411 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.919 -4.525 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.395 -7.874 -3.669 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -6.981 -7.022 -3.039 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.463 -1.912 -2.312 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.439 -0.515 -1.798 1.00 0.00 C ATOM 1402 C LEU B 40 -6.913 -0.461 -0.345 1.00 0.00 C ATOM 1403 O LEU B 40 -7.359 0.563 0.134 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.387 0.267 -2.709 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.731 0.465 -4.077 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.791 -0.844 -4.866 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.477 1.558 -4.846 1.00 0.00 C ATOM 0 H LEU B 40 -5.578 -2.244 -2.695 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.432 -0.098 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.329 -0.271 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.622 1.233 -2.263 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.690 0.760 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.324 -0.703 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.261 -1.623 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.831 -1.140 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.011 1.700 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.517 1.262 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.435 2.491 -4.284 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.802 -1.547 0.366 1.00 0.00 N ATOM 1420 CA GLU B 41 -7.227 -1.541 1.795 1.00 0.00 C ATOM 1421 C GLU B 41 -6.294 -0.628 2.590 1.00 0.00 C ATOM 1422 O GLU B 41 -6.723 0.171 3.398 1.00 0.00 O ATOM 1423 CB GLU B 41 -7.092 -2.992 2.259 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.345 -3.774 1.863 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.367 -3.709 3.000 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.270 -2.799 3.806 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.230 -4.571 3.045 1.00 0.00 O ATOM 0 H GLU B 41 -6.437 -2.436 0.023 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.244 -1.174 1.934 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.209 -3.448 1.810 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.955 -3.028 3.340 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.773 -3.358 0.951 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.087 -4.811 1.650 1.00 0.00 H new ATOM 1434 N PHE B 42 -5.018 -0.739 2.346 1.00 0.00 N ATOM 1435 CA PHE B 42 -4.029 0.121 3.060 1.00 0.00 C ATOM 1436 C PHE B 42 -4.286 0.127 4.565 1.00 0.00 C ATOM 1437 O PHE B 42 -5.133 -0.587 5.058 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.225 1.522 2.478 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.435 1.661 1.199 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.092 1.222 1.142 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -4.039 2.235 0.058 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.355 1.360 -0.055 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.300 2.373 -1.138 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.959 1.934 -1.194 1.00 0.00 C ATOM 0 H PHE B 42 -4.613 -1.394 1.677 1.00 0.00 H new ATOM 0 HA PHE B 42 -3.011 -0.244 2.925 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.283 1.700 2.284 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.902 2.273 3.199 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.630 0.781 2.013 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -5.065 2.568 0.100 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -0.329 1.026 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.761 2.814 -2.010 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.395 2.038 -2.109 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.526 0.921 5.283 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.639 1.015 6.771 1.00 0.00 C ATOM 1456 C GLU B 43 -3.225 -0.313 7.386 1.00 0.00 C ATOM 1457 O GLU B 43 -2.248 -0.410 8.098 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.105 1.339 7.083 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.299 1.358 8.599 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.794 1.383 8.924 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.457 0.398 8.646 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -7.250 2.388 9.443 1.00 0.00 O ATOM 0 H GLU B 43 -2.809 1.527 4.883 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.991 1.788 7.184 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.376 2.305 6.657 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.760 0.595 6.629 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.834 0.480 9.046 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.808 2.232 9.028 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.954 -1.336 7.090 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.616 -2.683 7.619 1.00 0.00 C ATOM 1471 C GLU B 44 -2.541 -3.335 6.740 1.00 0.00 C ATOM 1472 O GLU B 44 -1.713 -4.089 7.211 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.925 -3.479 7.564 1.00 0.00 C ATOM 1474 CG GLU B 44 -5.357 -3.680 6.108 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.607 -4.562 6.065 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.716 -5.443 6.902 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.434 -4.341 5.197 1.00 0.00 O ATOM 0 H GLU B 44 -4.783 -1.303 6.496 1.00 0.00 H new ATOM 0 HA GLU B 44 -3.216 -2.643 8.632 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.792 -4.446 8.049 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.704 -2.951 8.113 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.562 -2.716 5.642 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.551 -4.144 5.539 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.560 -3.060 5.460 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.554 -3.675 4.545 1.00 0.00 C ATOM 1486 C ALA B 45 -0.220 -2.924 4.593 1.00 0.00 C ATOM 1487 O ALA B 45 0.837 -3.523 4.604 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.172 -3.559 3.153 1.00 0.00 C ATOM 0 H ALA B 45 -3.230 -2.436 5.010 1.00 0.00 H new ATOM 0 HA ALA B 45 -1.335 -4.705 4.826 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.494 -3.990 2.417 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.120 -4.096 3.130 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.344 -2.509 2.917 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.256 -1.621 4.593 1.00 0.00 N ATOM 1495 CA ALA B 46 1.016 -0.843 4.606 1.00 0.00 C ATOM 1496 C ALA B 46 1.632 -0.804 6.008 1.00 0.00 C ATOM 1497 O ALA B 46 2.829 -0.663 6.157 1.00 0.00 O ATOM 1498 CB ALA B 46 0.625 0.558 4.144 1.00 0.00 C ATOM 0 H ALA B 46 -1.109 -1.061 4.585 1.00 0.00 H new ATOM 0 HA ALA B 46 1.771 -1.293 3.961 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.509 1.195 4.126 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.196 0.505 3.143 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.110 0.976 4.832 1.00 0.00 H new ATOM 1504 N GLN B 47 0.840 -0.928 7.036 1.00 0.00 N ATOM 1505 CA GLN B 47 1.418 -0.896 8.412 1.00 0.00 C ATOM 1506 C GLN B 47 2.332 -2.105 8.621 1.00 0.00 C ATOM 1507 O GLN B 47 3.319 -2.033 9.326 1.00 0.00 O ATOM 1508 CB GLN B 47 0.225 -0.961 9.360 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.268 0.457 9.659 1.00 0.00 C ATOM 1510 CD GLN B 47 0.670 1.123 10.666 1.00 0.00 C ATOM 1511 OE1 GLN B 47 1.475 1.958 10.304 1.00 0.00 O ATOM 1512 NE2 GLN B 47 0.601 0.786 11.925 1.00 0.00 N ATOM 0 H GLN B 47 -0.172 -1.049 6.987 1.00 0.00 H new ATOM 0 HA GLN B 47 2.017 -0.002 8.583 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.576 -1.549 8.913 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.509 -1.461 10.286 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.306 1.041 8.740 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.282 0.424 10.057 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.075 0.085 12.229 1.00 0.00 H new ATOM 0 HE22 GLN B 47 1.223 1.224 12.605 1.00 0.00 H new ATOM 1521 N ILE B 48 2.016 -3.216 8.009 1.00 0.00 N ATOM 1522 CA ILE B 48 2.874 -4.426 8.170 1.00 0.00 C ATOM 1523 C ILE B 48 4.331 -4.071 7.860 1.00 0.00 C ATOM 1524 O ILE B 48 5.252 -4.664 8.384 1.00 0.00 O ATOM 1525 CB ILE B 48 2.335 -5.435 7.155 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.906 -5.829 7.537 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.222 -6.682 7.152 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.903 -6.442 8.940 1.00 0.00 C ATOM 0 H ILE B 48 1.202 -3.337 7.406 1.00 0.00 H new ATOM 0 HA ILE B 48 2.849 -4.825 9.184 1.00 0.00 H new ATOM 0 HB ILE B 48 2.337 -4.986 6.162 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.257 -4.954 7.509 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.509 -6.543 6.816 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.837 -7.401 6.428 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.240 -6.404 6.880 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.221 -7.131 8.145 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.114 -6.723 9.212 1.00 0.00 H new ATOM 0 HD12 ILE B 48 1.539 -7.327 8.952 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.282 -5.713 9.656 1.00 0.00 H new ATOM 1540 N ARG B 49 4.539 -3.096 7.018 1.00 0.00 N ATOM 1541 CA ARG B 49 5.929 -2.683 6.680 1.00 0.00 C ATOM 1542 C ARG B 49 6.691 -2.358 7.971 1.00 0.00 C ATOM 1543 O ARG B 49 7.898 -2.485 8.042 1.00 0.00 O ATOM 1544 CB ARG B 49 5.753 -1.440 5.795 1.00 0.00 C ATOM 1545 CG ARG B 49 7.070 -0.664 5.677 1.00 0.00 C ATOM 1546 CD ARG B 49 6.890 0.736 6.271 1.00 0.00 C ATOM 1547 NE ARG B 49 6.426 0.513 7.670 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.172 0.888 8.671 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.434 0.559 8.704 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.657 1.594 9.641 1.00 0.00 N ATOM 0 H ARG B 49 3.804 -2.567 6.549 1.00 0.00 H new ATOM 0 HA ARG B 49 6.502 -3.456 6.168 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.412 -1.739 4.804 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.982 -0.795 6.216 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.865 -1.194 6.201 1.00 0.00 H new ATOM 0 HG3 ARG B 49 7.370 -0.592 4.632 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.826 1.295 6.251 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.161 1.314 5.702 1.00 0.00 H new ATOM 0 HE ARG B 49 5.525 0.067 7.844 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.837 0.008 7.946 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.017 0.853 9.488 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.671 1.852 9.616 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.241 1.887 10.424 1.00 0.00 H new ATOM 1564 N ASP B 50 5.992 -1.944 8.992 1.00 0.00 N ATOM 1565 CA ASP B 50 6.672 -1.619 10.278 1.00 0.00 C ATOM 1566 C ASP B 50 7.010 -2.908 11.030 1.00 0.00 C ATOM 1567 O ASP B 50 8.016 -2.999 11.706 1.00 0.00 O ATOM 1568 CB ASP B 50 5.658 -0.787 11.064 1.00 0.00 C ATOM 1569 CG ASP B 50 6.395 0.101 12.068 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.516 0.487 11.777 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.826 0.381 13.110 1.00 0.00 O ATOM 0 H ASP B 50 4.980 -1.817 8.992 1.00 0.00 H new ATOM 0 HA ASP B 50 7.608 -1.081 10.129 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.070 -0.173 10.383 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.960 -1.442 11.586 1.00 0.00 H new ATOM 1576 N GLN B 51 6.179 -3.908 10.915 1.00 0.00 N ATOM 1577 CA GLN B 51 6.454 -5.192 11.620 1.00 0.00 C ATOM 1578 C GLN B 51 7.477 -6.014 10.833 1.00 0.00 C ATOM 1579 O GLN B 51 8.359 -6.631 11.396 1.00 0.00 O ATOM 1580 CB GLN B 51 5.107 -5.914 11.669 1.00 0.00 C ATOM 1581 CG GLN B 51 4.081 -5.032 12.381 1.00 0.00 C ATOM 1582 CD GLN B 51 2.709 -5.708 12.336 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.700 -5.050 12.172 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.627 -7.003 12.475 1.00 0.00 N ATOM 0 H GLN B 51 5.321 -3.891 10.363 1.00 0.00 H new ATOM 0 HA GLN B 51 6.868 -5.038 12.616 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.768 -6.142 10.659 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.211 -6.865 12.192 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.383 -4.867 13.415 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.032 -4.054 11.903 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.473 -7.556 12.613 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.717 -7.462 12.446 1.00 0.00 H new ATOM 1593 N LEU B 52 7.368 -6.024 9.532 1.00 0.00 N ATOM 1594 CA LEU B 52 8.335 -6.805 8.708 1.00 0.00 C ATOM 1595 C LEU B 52 9.746 -6.235 8.872 1.00 0.00 C ATOM 1596 O LEU B 52 10.705 -6.963 9.030 1.00 0.00 O ATOM 1597 CB LEU B 52 7.853 -6.637 7.267 1.00 0.00 C ATOM 1598 CG LEU B 52 7.910 -7.985 6.548 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.349 -8.505 6.550 1.00 0.00 C ATOM 1600 CD2 LEU B 52 7.007 -8.987 7.272 1.00 0.00 C ATOM 0 H LEU B 52 6.652 -5.525 9.004 1.00 0.00 H new ATOM 0 HA LEU B 52 8.379 -7.853 9.003 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.834 -6.250 7.256 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.476 -5.909 6.747 1.00 0.00 H new ATOM 0 HG LEU B 52 7.569 -7.862 5.520 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.389 -9.466 6.037 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.994 -7.792 6.036 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.690 -8.628 7.578 1.00 0.00 H new ATOM 0 HD21 LEU B 52 7.047 -9.949 6.760 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.349 -9.109 8.300 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.981 -8.618 7.272 1.00 0.00 H new ATOM 1612 N HIS B 53 9.879 -4.937 8.837 1.00 0.00 N ATOM 1613 CA HIS B 53 11.229 -4.322 8.992 1.00 0.00 C ATOM 1614 C HIS B 53 11.761 -4.569 10.407 1.00 0.00 C ATOM 1615 O HIS B 53 12.928 -4.844 10.602 1.00 0.00 O ATOM 1616 CB HIS B 53 11.012 -2.827 8.754 1.00 0.00 C ATOM 1617 CG HIS B 53 12.327 -2.106 8.863 1.00 0.00 C ATOM 1618 ND1 HIS B 53 12.833 -1.673 10.079 1.00 0.00 N ATOM 1619 CD2 HIS B 53 13.251 -1.734 7.919 1.00 0.00 C ATOM 1620 CE1 HIS B 53 14.012 -1.072 9.836 1.00 0.00 C ATOM 1621 NE2 HIS B 53 14.315 -1.081 8.535 1.00 0.00 N ATOM 0 H HIS B 53 9.113 -4.276 8.708 1.00 0.00 H new ATOM 0 HA HIS B 53 11.958 -4.743 8.300 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.577 -2.664 7.768 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.306 -2.430 9.484 1.00 0.00 H new ATOM 0 HD2 HIS B 53 13.166 -1.920 6.859 1.00 0.00 H new ATOM 0 HE1 HIS B 53 14.638 -0.635 10.600 1.00 0.00 H new ATOM 0 HE2 HIS B 53 15.146 -0.693 8.089 1.00 0.00 H new ATOM 1629 N GLN B 54 10.913 -4.475 11.394 1.00 0.00 N ATOM 1630 CA GLN B 54 11.370 -4.705 12.794 1.00 0.00 C ATOM 1631 C GLN B 54 11.753 -6.174 12.989 1.00 0.00 C ATOM 1632 O GLN B 54 12.746 -6.490 13.614 1.00 0.00 O ATOM 1633 CB GLN B 54 10.168 -4.344 13.668 1.00 0.00 C ATOM 1634 CG GLN B 54 10.373 -2.953 14.270 1.00 0.00 C ATOM 1635 CD GLN B 54 9.630 -2.858 15.604 1.00 0.00 C ATOM 1636 OE1 GLN B 54 10.087 -2.209 16.524 1.00 0.00 O ATOM 1637 NE2 GLN B 54 8.494 -3.485 15.749 1.00 0.00 N ATOM 0 H GLN B 54 9.924 -4.249 11.292 1.00 0.00 H new ATOM 0 HA GLN B 54 12.249 -4.111 13.045 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.254 -4.364 13.074 1.00 0.00 H new ATOM 0 HB3 GLN B 54 10.048 -5.081 14.462 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.436 -2.763 14.420 1.00 0.00 H new ATOM 0 HG3 GLN B 54 10.007 -2.190 13.583 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.110 -4.030 14.977 1.00 0.00 H new ATOM 0 HE22 GLN B 54 7.990 -3.430 16.634 1.00 0.00 H new ATOM 1646 N LEU B 55 10.974 -7.076 12.455 1.00 0.00 N ATOM 1647 CA LEU B 55 11.294 -8.524 12.609 1.00 0.00 C ATOM 1648 C LEU B 55 12.561 -8.870 11.821 1.00 0.00 C ATOM 1649 O LEU B 55 13.228 -9.847 12.099 1.00 0.00 O ATOM 1650 CB LEU B 55 10.085 -9.260 12.031 1.00 0.00 C ATOM 1651 CG LEU B 55 9.080 -9.547 13.147 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.658 -9.342 12.620 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.245 -10.992 13.621 1.00 0.00 C ATOM 0 H LEU B 55 10.130 -6.873 11.919 1.00 0.00 H new ATOM 0 HA LEU B 55 11.480 -8.799 13.647 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.617 -8.657 11.252 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.403 -10.193 11.565 1.00 0.00 H new ATOM 0 HG LEU B 55 9.259 -8.868 13.980 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.942 -9.547 13.416 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.540 -8.312 12.282 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.478 -10.021 11.786 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.529 -11.198 14.417 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.066 -11.671 12.787 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.258 -11.138 13.997 1.00 0.00 H new ATOM 1665 N ARG B 56 12.897 -8.076 10.841 1.00 0.00 N ATOM 1666 CA ARG B 56 14.121 -8.361 10.037 1.00 0.00 C ATOM 1667 C ARG B 56 15.346 -8.447 10.951 1.00 0.00 C ATOM 1668 O ARG B 56 16.103 -9.396 10.903 1.00 0.00 O ATOM 1669 CB ARG B 56 14.248 -7.176 9.080 1.00 0.00 C ATOM 1670 CG ARG B 56 15.487 -7.359 8.201 1.00 0.00 C ATOM 1671 CD ARG B 56 16.041 -5.989 7.807 1.00 0.00 C ATOM 1672 NE ARG B 56 17.460 -6.242 7.429 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.293 -5.243 7.317 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.493 -4.443 8.328 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.927 -5.045 6.193 1.00 0.00 N ATOM 0 H ARG B 56 12.378 -7.243 10.562 1.00 0.00 H new ATOM 0 HA ARG B 56 14.055 -9.310 9.505 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.356 -7.100 8.458 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.323 -6.246 9.644 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.245 -7.929 8.738 1.00 0.00 H new ATOM 0 HG3 ARG B 56 15.231 -7.930 7.308 1.00 0.00 H new ATOM 0 HD2 ARG B 56 15.481 -5.561 6.975 1.00 0.00 H new ATOM 0 HD3 ARG B 56 15.973 -5.283 8.634 1.00 0.00 H new ATOM 0 HE ARG B 56 17.780 -7.195 7.258 1.00 0.00 H new ATOM 0 HH11 ARG B 56 17.998 -4.598 9.207 1.00 0.00 H new ATOM 0 HH12 ARG B 56 19.144 -3.663 8.240 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.771 -5.671 5.403 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.578 -4.265 6.105 1.00 0.00 H new ATOM 1689 N GLU B 57 15.546 -7.464 11.785 1.00 0.00 N ATOM 1690 CA GLU B 57 16.723 -7.491 12.701 1.00 0.00 C ATOM 1691 C GLU B 57 16.643 -8.705 13.628 1.00 0.00 C ATOM 1692 O GLU B 57 17.643 -9.302 13.974 1.00 0.00 O ATOM 1693 CB GLU B 57 16.627 -6.194 13.505 1.00 0.00 C ATOM 1694 CG GLU B 57 17.847 -6.069 14.420 1.00 0.00 C ATOM 1695 CD GLU B 57 18.910 -5.203 13.740 1.00 0.00 C ATOM 1696 OE1 GLU B 57 18.858 -3.997 13.908 1.00 0.00 O ATOM 1697 OE2 GLU B 57 19.757 -5.763 13.062 1.00 0.00 O ATOM 0 H GLU B 57 14.946 -6.644 11.872 1.00 0.00 H new ATOM 0 HA GLU B 57 17.667 -7.567 12.161 1.00 0.00 H new ATOM 0 HB2 GLU B 57 16.576 -5.339 12.831 1.00 0.00 H new ATOM 0 HB3 GLU B 57 15.712 -6.188 14.098 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.556 -5.625 15.372 1.00 0.00 H new ATOM 0 HG3 GLU B 57 18.253 -7.057 14.639 1.00 0.00 H new ATOM 1704 N LEU B 58 15.459 -9.078 14.034 1.00 0.00 N ATOM 1705 CA LEU B 58 15.317 -10.255 14.939 1.00 0.00 C ATOM 1706 C LEU B 58 15.956 -11.492 14.302 1.00 0.00 C ATOM 1707 O LEU B 58 16.345 -12.421 14.982 1.00 0.00 O ATOM 1708 CB LEU B 58 13.809 -10.453 15.101 1.00 0.00 C ATOM 1709 CG LEU B 58 13.430 -10.300 16.574 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.916 -10.111 16.695 1.00 0.00 C ATOM 1711 CD2 LEU B 58 13.848 -11.557 17.340 1.00 0.00 C ATOM 0 H LEU B 58 14.585 -8.619 13.778 1.00 0.00 H new ATOM 0 HA LEU B 58 15.812 -10.100 15.898 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.269 -9.723 14.498 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.520 -11.440 14.741 1.00 0.00 H new ATOM 0 HG LEU B 58 13.939 -9.432 16.992 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.646 -10.002 17.745 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.616 -9.217 16.148 1.00 0.00 H new ATOM 0 HD13 LEU B 58 11.406 -10.979 16.278 1.00 0.00 H new ATOM 0 HD21 LEU B 58 13.578 -11.449 18.391 1.00 0.00 H new ATOM 0 HD22 LEU B 58 13.338 -12.425 16.922 1.00 0.00 H new ATOM 0 HD23 LEU B 58 14.926 -11.694 17.254 1.00 0.00 H new ATOM 1723 N PHE B 59 16.066 -11.512 13.002 1.00 0.00 N ATOM 1724 CA PHE B 59 16.679 -12.691 12.323 1.00 0.00 C ATOM 1725 C PHE B 59 18.062 -12.980 12.913 1.00 0.00 C ATOM 1726 O PHE B 59 18.497 -14.113 12.972 1.00 0.00 O ATOM 1727 CB PHE B 59 16.797 -12.284 10.854 1.00 0.00 C ATOM 1728 CG PHE B 59 17.468 -13.391 10.078 1.00 0.00 C ATOM 1729 CD1 PHE B 59 18.870 -13.550 10.144 1.00 0.00 C ATOM 1730 CD2 PHE B 59 16.694 -14.269 9.286 1.00 0.00 C ATOM 1731 CE1 PHE B 59 19.500 -14.586 9.418 1.00 0.00 C ATOM 1732 CE2 PHE B 59 17.323 -15.305 8.561 1.00 0.00 C ATOM 1733 CZ PHE B 59 18.726 -15.464 8.626 1.00 0.00 C ATOM 0 H PHE B 59 15.759 -10.764 12.380 1.00 0.00 H new ATOM 0 HA PHE B 59 16.085 -13.596 12.449 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.809 -12.083 10.441 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.373 -11.363 10.766 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.461 -12.879 10.750 1.00 0.00 H new ATOM 0 HD2 PHE B 59 15.622 -14.148 9.235 1.00 0.00 H new ATOM 0 HE1 PHE B 59 20.572 -14.707 9.468 1.00 0.00 H new ATOM 0 HE2 PHE B 59 16.731 -15.976 7.956 1.00 0.00 H new ATOM 0 HZ PHE B 59 19.206 -16.256 8.071 1.00 0.00 H new ATOM 1743 N ILE B 60 18.755 -11.964 13.350 1.00 0.00 N ATOM 1744 CA ILE B 60 20.109 -12.183 13.936 1.00 0.00 C ATOM 1745 C ILE B 60 19.986 -12.660 15.385 1.00 0.00 C ATOM 1746 O ILE B 60 20.833 -13.373 15.887 1.00 0.00 O ATOM 1747 CB ILE B 60 20.790 -10.815 13.877 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.792 -10.309 12.434 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.232 -10.941 14.375 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.316 -8.856 12.401 1.00 0.00 C ATOM 0 H ILE B 60 18.443 -10.993 13.327 1.00 0.00 H new ATOM 0 HA ILE B 60 20.675 -12.944 13.399 1.00 0.00 H new ATOM 0 HB ILE B 60 20.248 -10.111 14.508 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.795 -10.384 12.013 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.141 -10.930 11.819 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.718 -9.966 14.333 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.232 -11.302 15.403 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.775 -11.644 13.744 1.00 0.00 H new ATOM 0 HD11 ILE B 60 20.318 -8.496 11.372 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.306 -8.795 12.805 1.00 0.00 H new ATOM 0 HD13 ILE B 60 20.985 -8.240 13.002 1.00 0.00 H new ATOM 1762 N ALA B 61 18.938 -12.274 16.060 1.00 0.00 N ATOM 1763 CA ALA B 61 18.762 -12.708 17.475 1.00 0.00 C ATOM 1764 C ALA B 61 18.483 -14.212 17.538 1.00 0.00 C ATOM 1765 O ALA B 61 18.688 -14.850 18.551 1.00 0.00 O ATOM 1766 CB ALA B 61 17.558 -11.917 17.985 1.00 0.00 C ATOM 0 H ALA B 61 18.196 -11.677 15.693 1.00 0.00 H new ATOM 0 HA ALA B 61 19.653 -12.526 18.076 1.00 0.00 H new ATOM 0 HB1 ALA B 61 17.363 -12.181 19.024 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.768 -10.850 17.915 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.683 -12.155 17.380 1.00 0.00 H new ATOM 1772 N ALA B 62 18.018 -14.784 16.461 1.00 0.00 N ATOM 1773 CA ALA B 62 17.726 -16.247 16.459 1.00 0.00 C ATOM 1774 C ALA B 62 18.825 -17.004 15.710 1.00 0.00 C ATOM 1775 O ALA B 62 19.541 -17.803 16.279 1.00 0.00 O ATOM 1776 CB ALA B 62 16.388 -16.383 15.732 1.00 0.00 C ATOM 0 H ALA B 62 17.827 -14.302 15.582 1.00 0.00 H new ATOM 0 HA ALA B 62 17.686 -16.662 17.466 1.00 0.00 H new ATOM 0 HB1 ALA B 62 16.103 -17.434 15.689 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.624 -15.821 16.269 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.483 -15.991 14.719 1.00 0.00 H new ATOM 1782 N SER B 63 18.964 -16.760 14.435 1.00 0.00 N ATOM 1783 CA SER B 63 20.016 -17.468 13.651 1.00 0.00 C ATOM 1784 C SER B 63 21.314 -16.656 13.656 1.00 0.00 C ATOM 1785 O SER B 63 21.232 -15.444 13.551 1.00 0.00 O ATOM 1786 CB SER B 63 19.453 -17.569 12.234 1.00 0.00 C ATOM 1787 OG SER B 63 20.324 -18.361 11.438 1.00 0.00 O ATOM 1788 OXT SER B 63 22.368 -17.262 13.764 1.00 0.00 O ATOM 0 H SER B 63 18.395 -16.102 13.903 1.00 0.00 H new ATOM 0 HA SER B 63 20.252 -18.448 14.066 1.00 0.00 H new ATOM 0 HB2 SER B 63 18.458 -18.013 12.257 1.00 0.00 H new ATOM 0 HB3 SER B 63 19.349 -16.575 11.800 1.00 0.00 H new ATOM 0 HG SER B 63 19.965 -18.429 10.529 1.00 0.00 H new TER 1794 SER B 63