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 Set 1.1: B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 18 SER OG : rot 180:sc= -0.134 USER MOD Set 2.1: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 SER OG : rot 180:sc= -0.129 USER MOD Single : A 12 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.061) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.517 K(o=-0.52,f=-6!) USER MOD Single : A 24 GLN : amide:sc= -0.0355 X(o=-0.036,f=-0.34) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.075) USER MOD Single : A 33 MET CE :methyl 163:sc= -0.474 (180deg=-0.9) USER MOD Single : A 34 MET CE :methyl 168:sc= -0.0575 (180deg=-0.292) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.37! K(o=-2.4!,f=-0.9) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 39 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.9) USER MOD Single : A 51 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.8!) USER MOD Single : A 53 HIS : no HE2:sc= 0.132 K(o=0.13,f=-0.87) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -50:sc= 1.13 USER MOD Single : B 12 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.059) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.513 K(o=-0.51,f=-6.3!) USER MOD Single : B 24 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.3) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.096) USER MOD Single : B 33 MET CE :methyl 167:sc= -1.17 (180deg=-1.62) USER MOD Single : B 34 MET CE :methyl 168:sc= -0.0585 (180deg=-0.402) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -2.34! K(o=-2.3!,f=-0.99) USER MOD Single : B 38 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : B 39 ASN : amide:sc= -0.0155 K(o=-0.015,f=-1.1) USER MOD Single : B 47 GLN : amide:sc= -1.55 X(o=-1.6,f=-1.8) USER MOD Single : B 51 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.9!) USER MOD Single : B 53 HIS : no HE2:sc= 0.118 K(o=0.12,f=-0.83) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 SER OG : rot -56:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -33.907 14.384 -28.620 1.00 0.00 N ATOM 2 CA LEU A 8 -32.504 14.762 -28.956 1.00 0.00 C ATOM 3 C LEU A 8 -32.125 16.069 -28.255 1.00 0.00 C ATOM 4 O LEU A 8 -32.117 17.126 -28.853 1.00 0.00 O ATOM 5 CB LEU A 8 -32.497 14.946 -30.474 1.00 0.00 C ATOM 6 CG LEU A 8 -31.079 14.732 -31.008 1.00 0.00 C ATOM 7 CD1 LEU A 8 -31.129 13.841 -32.250 1.00 0.00 C ATOM 8 CD2 LEU A 8 -30.465 16.085 -31.376 1.00 0.00 C ATOM 0 HA LEU A 8 -31.785 14.009 -28.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -33.183 14.238 -30.940 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -32.847 15.946 -30.731 1.00 0.00 H new ATOM 0 HG LEU A 8 -30.471 14.251 -30.242 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -30.119 13.689 -32.630 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -31.567 12.878 -31.989 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -31.737 14.320 -33.017 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -29.455 15.935 -31.757 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -31.074 16.565 -32.142 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -30.429 16.721 -30.491 1.00 0.00 H new ATOM 20 N GLU A 9 -31.812 16.004 -26.989 1.00 0.00 N ATOM 21 CA GLU A 9 -31.435 17.243 -26.250 1.00 0.00 C ATOM 22 C GLU A 9 -30.266 16.958 -25.297 1.00 0.00 C ATOM 23 O GLU A 9 -30.344 17.257 -24.122 1.00 0.00 O ATOM 24 CB GLU A 9 -32.687 17.632 -25.464 1.00 0.00 C ATOM 25 CG GLU A 9 -33.561 18.552 -26.318 1.00 0.00 C ATOM 26 CD GLU A 9 -34.820 18.929 -25.535 1.00 0.00 C ATOM 27 OE1 GLU A 9 -35.199 18.171 -24.659 1.00 0.00 O ATOM 28 OE2 GLU A 9 -35.384 19.972 -25.826 1.00 0.00 O ATOM 0 H GLU A 9 -31.801 15.148 -26.435 1.00 0.00 H new ATOM 0 HA GLU A 9 -31.110 18.040 -26.919 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -33.246 16.739 -25.184 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -32.407 18.135 -24.539 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -33.006 19.450 -26.589 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -33.834 18.053 -27.248 1.00 0.00 H new ATOM 35 N PRO A 10 -29.217 16.387 -25.836 1.00 0.00 N ATOM 36 CA PRO A 10 -28.026 16.063 -25.012 1.00 0.00 C ATOM 37 C PRO A 10 -27.262 17.341 -24.654 1.00 0.00 C ATOM 38 O PRO A 10 -26.963 17.593 -23.504 1.00 0.00 O ATOM 39 CB PRO A 10 -27.191 15.167 -25.922 1.00 0.00 C ATOM 40 CG PRO A 10 -27.604 15.532 -27.312 1.00 0.00 C ATOM 41 CD PRO A 10 -29.037 15.993 -27.240 1.00 0.00 C ATOM 0 HA PRO A 10 -28.277 15.583 -24.066 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -26.125 15.335 -25.770 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.380 14.113 -25.718 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -26.965 16.320 -27.710 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -27.507 14.676 -27.980 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -29.221 16.829 -27.915 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -29.726 15.197 -27.522 1.00 0.00 H new ATOM 49 N ASP A 11 -26.945 18.149 -25.634 1.00 0.00 N ATOM 50 CA ASP A 11 -26.198 19.418 -25.368 1.00 0.00 C ATOM 51 C ASP A 11 -24.832 19.109 -24.745 1.00 0.00 C ATOM 52 O ASP A 11 -23.820 19.109 -25.418 1.00 0.00 O ATOM 53 CB ASP A 11 -27.068 20.215 -24.391 1.00 0.00 C ATOM 54 CG ASP A 11 -27.583 21.480 -25.082 1.00 0.00 C ATOM 55 OD1 ASP A 11 -28.004 21.377 -26.223 1.00 0.00 O ATOM 56 OD2 ASP A 11 -27.546 22.527 -24.459 1.00 0.00 O ATOM 0 H ASP A 11 -27.173 17.983 -26.614 1.00 0.00 H new ATOM 0 HA ASP A 11 -26.012 19.978 -26.284 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -27.906 19.605 -24.053 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -26.490 20.481 -23.506 1.00 0.00 H new ATOM 61 N ASN A 12 -24.795 18.846 -23.469 1.00 0.00 N ATOM 62 CA ASN A 12 -23.495 18.536 -22.808 1.00 0.00 C ATOM 63 C ASN A 12 -23.731 18.079 -21.367 1.00 0.00 C ATOM 64 O ASN A 12 -22.948 18.359 -20.481 1.00 0.00 O ATOM 65 CB ASN A 12 -22.716 19.853 -22.832 1.00 0.00 C ATOM 66 CG ASN A 12 -21.216 19.558 -22.902 1.00 0.00 C ATOM 67 OD1 ASN A 12 -20.490 20.212 -23.622 1.00 0.00 O ATOM 68 ND2 ASN A 12 -20.719 18.592 -22.179 1.00 0.00 N ATOM 0 H ASN A 12 -25.609 18.832 -22.854 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.956 17.733 -23.311 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.020 20.452 -23.690 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -22.941 20.437 -21.940 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.721 18.387 -22.219 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.329 18.042 -21.574 1.00 0.00 H new ATOM 75 N VAL A 13 -24.804 17.376 -21.123 1.00 0.00 N ATOM 76 CA VAL A 13 -25.085 16.904 -19.738 1.00 0.00 C ATOM 77 C VAL A 13 -24.278 15.622 -19.442 1.00 0.00 C ATOM 78 O VAL A 13 -23.631 15.532 -18.418 1.00 0.00 O ATOM 79 CB VAL A 13 -26.612 16.675 -19.702 1.00 0.00 C ATOM 80 CG1 VAL A 13 -26.990 15.576 -18.698 1.00 0.00 C ATOM 81 CG2 VAL A 13 -27.296 17.980 -19.286 1.00 0.00 C ATOM 0 H VAL A 13 -25.497 17.109 -21.822 1.00 0.00 H new ATOM 0 HA VAL A 13 -24.787 17.617 -18.969 1.00 0.00 H new ATOM 0 HB VAL A 13 -26.937 16.362 -20.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.071 15.440 -18.697 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -26.507 14.641 -18.983 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -26.660 15.866 -17.700 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.375 17.832 -19.257 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -26.944 18.277 -18.298 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -27.057 18.762 -20.007 1.00 0.00 H new ATOM 91 N PRO A 14 -24.335 14.671 -20.345 1.00 0.00 N ATOM 92 CA PRO A 14 -23.590 13.411 -20.150 1.00 0.00 C ATOM 93 C PRO A 14 -22.149 13.585 -20.624 1.00 0.00 C ATOM 94 O PRO A 14 -21.210 13.167 -19.975 1.00 0.00 O ATOM 95 CB PRO A 14 -24.325 12.421 -21.043 1.00 0.00 C ATOM 96 CG PRO A 14 -24.977 13.249 -22.110 1.00 0.00 C ATOM 97 CD PRO A 14 -25.077 14.670 -21.608 1.00 0.00 C ATOM 0 HA PRO A 14 -23.546 13.090 -19.109 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -23.635 11.696 -21.476 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -25.066 11.857 -20.477 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -24.394 13.211 -23.030 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -25.967 12.858 -22.343 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -24.646 15.373 -22.321 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -26.116 14.965 -21.457 1.00 0.00 H new ATOM 105 N MET A 15 -21.972 14.200 -21.761 1.00 0.00 N ATOM 106 CA MET A 15 -20.600 14.404 -22.294 1.00 0.00 C ATOM 107 C MET A 15 -19.720 15.098 -21.252 1.00 0.00 C ATOM 108 O MET A 15 -20.084 16.115 -20.696 1.00 0.00 O ATOM 109 CB MET A 15 -20.780 15.294 -23.524 1.00 0.00 C ATOM 110 CG MET A 15 -19.571 15.140 -24.448 1.00 0.00 C ATOM 111 SD MET A 15 -19.709 16.312 -25.821 1.00 0.00 S ATOM 112 CE MET A 15 -20.181 15.115 -27.093 1.00 0.00 C ATOM 0 H MET A 15 -22.723 14.570 -22.344 1.00 0.00 H new ATOM 0 HA MET A 15 -20.111 13.462 -22.541 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.693 15.020 -24.053 1.00 0.00 H new ATOM 0 HB3 MET A 15 -20.888 16.335 -23.220 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.650 15.320 -23.893 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.519 14.120 -24.830 1.00 0.00 H new ATOM 0 HE1 MET A 15 -20.321 15.630 -28.043 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.395 14.367 -27.198 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.111 14.626 -26.805 1.00 0.00 H new ATOM 122 N ASP A 16 -18.562 14.558 -20.985 1.00 0.00 N ATOM 123 CA ASP A 16 -17.657 15.189 -19.980 1.00 0.00 C ATOM 124 C ASP A 16 -18.405 15.426 -18.665 1.00 0.00 C ATOM 125 O ASP A 16 -18.451 16.529 -18.156 1.00 0.00 O ATOM 126 CB ASP A 16 -17.239 16.521 -20.606 1.00 0.00 C ATOM 127 CG ASP A 16 -15.817 16.868 -20.165 1.00 0.00 C ATOM 128 OD1 ASP A 16 -15.670 17.435 -19.095 1.00 0.00 O ATOM 129 OD2 ASP A 16 -14.896 16.562 -20.906 1.00 0.00 O ATOM 0 H ASP A 16 -18.203 13.708 -21.419 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.798 14.559 -19.746 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.288 16.455 -21.693 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.928 17.310 -20.303 1.00 0.00 H new ATOM 134 N MET A 17 -18.989 14.400 -18.109 1.00 0.00 N ATOM 135 CA MET A 17 -19.731 14.570 -16.827 1.00 0.00 C ATOM 136 C MET A 17 -18.812 15.176 -15.763 1.00 0.00 C ATOM 137 O MET A 17 -19.240 15.943 -14.923 1.00 0.00 O ATOM 138 CB MET A 17 -20.158 13.157 -16.426 1.00 0.00 C ATOM 139 CG MET A 17 -18.916 12.283 -16.236 1.00 0.00 C ATOM 140 SD MET A 17 -19.424 10.579 -15.897 1.00 0.00 S ATOM 141 CE MET A 17 -18.329 10.293 -14.485 1.00 0.00 C ATOM 0 H MET A 17 -18.985 13.452 -18.486 1.00 0.00 H new ATOM 0 HA MET A 17 -20.585 15.240 -16.928 1.00 0.00 H new ATOM 0 HB2 MET A 17 -20.738 13.189 -15.504 1.00 0.00 H new ATOM 0 HB3 MET A 17 -20.803 12.729 -17.193 1.00 0.00 H new ATOM 0 HG2 MET A 17 -18.294 12.317 -17.130 1.00 0.00 H new ATOM 0 HG3 MET A 17 -18.312 12.664 -15.413 1.00 0.00 H new ATOM 0 HE1 MET A 17 -18.478 9.281 -14.108 1.00 0.00 H new ATOM 0 HE2 MET A 17 -17.292 10.415 -14.798 1.00 0.00 H new ATOM 0 HE3 MET A 17 -18.557 11.011 -13.697 1.00 0.00 H new ATOM 151 N SER A 18 -17.551 14.838 -15.791 1.00 0.00 N ATOM 152 CA SER A 18 -16.606 15.397 -14.782 1.00 0.00 C ATOM 153 C SER A 18 -16.076 16.758 -15.250 1.00 0.00 C ATOM 154 O SER A 18 -16.262 17.132 -16.391 1.00 0.00 O ATOM 155 CB SER A 18 -15.471 14.378 -14.698 1.00 0.00 C ATOM 156 OG SER A 18 -16.019 13.067 -14.654 1.00 0.00 O ATOM 0 H SER A 18 -17.135 14.199 -16.469 1.00 0.00 H new ATOM 0 HA SER A 18 -17.081 15.558 -13.814 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.811 14.480 -15.559 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.867 14.562 -13.810 1.00 0.00 H new ATOM 0 HG SER A 18 -15.293 12.411 -14.602 1.00 0.00 H new ATOM 162 N PRO A 19 -15.430 17.461 -14.349 1.00 0.00 N ATOM 163 CA PRO A 19 -14.874 18.791 -14.678 1.00 0.00 C ATOM 164 C PRO A 19 -13.475 18.682 -15.304 1.00 0.00 C ATOM 165 O PRO A 19 -12.729 19.639 -15.335 1.00 0.00 O ATOM 166 CB PRO A 19 -14.817 19.489 -13.325 1.00 0.00 C ATOM 167 CG PRO A 19 -14.738 18.393 -12.302 1.00 0.00 C ATOM 168 CD PRO A 19 -15.167 17.098 -12.955 1.00 0.00 C ATOM 0 HA PRO A 19 -15.473 19.327 -15.414 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.950 20.147 -13.261 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.700 20.108 -13.167 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.722 18.305 -11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.381 18.620 -11.452 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.388 16.339 -12.882 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.057 16.688 -12.477 1.00 0.00 H new ATOM 176 N LYS A 20 -13.125 17.530 -15.819 1.00 0.00 N ATOM 177 CA LYS A 20 -11.781 17.349 -16.465 1.00 0.00 C ATOM 178 C LYS A 20 -10.642 17.514 -15.450 1.00 0.00 C ATOM 179 O LYS A 20 -9.940 16.572 -15.140 1.00 0.00 O ATOM 180 CB LYS A 20 -11.696 18.428 -17.551 1.00 0.00 C ATOM 181 CG LYS A 20 -10.623 18.043 -18.571 1.00 0.00 C ATOM 182 CD LYS A 20 -9.240 18.372 -18.006 1.00 0.00 C ATOM 183 CE LYS A 20 -8.276 18.669 -19.157 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.971 18.959 -18.500 1.00 0.00 N ATOM 0 H LYS A 20 -13.715 16.698 -15.821 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.676 16.346 -16.878 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.661 18.537 -18.046 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.457 19.392 -17.102 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.690 16.980 -18.801 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.784 18.582 -19.505 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.303 19.232 -17.339 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.869 17.536 -17.413 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.197 17.819 -19.835 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.617 19.518 -19.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.257 19.173 -19.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.076 19.777 -17.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.668 18.130 -17.949 1.00 0.00 H new ATOM 198 N ALA A 21 -10.442 18.704 -14.940 1.00 0.00 N ATOM 199 CA ALA A 21 -9.337 18.932 -13.956 1.00 0.00 C ATOM 200 C ALA A 21 -9.324 17.836 -12.884 1.00 0.00 C ATOM 201 O ALA A 21 -8.295 17.273 -12.569 1.00 0.00 O ATOM 202 CB ALA A 21 -9.646 20.290 -13.326 1.00 0.00 C ATOM 0 H ALA A 21 -10.997 19.530 -15.163 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.357 18.910 -14.433 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.880 20.532 -12.590 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.660 21.056 -14.101 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.619 20.251 -12.837 1.00 0.00 H new ATOM 208 N LEU A 22 -10.461 17.527 -12.329 1.00 0.00 N ATOM 209 CA LEU A 22 -10.518 16.463 -11.285 1.00 0.00 C ATOM 210 C LEU A 22 -10.529 15.095 -11.959 1.00 0.00 C ATOM 211 O LEU A 22 -9.881 14.164 -11.524 1.00 0.00 O ATOM 212 CB LEU A 22 -11.833 16.699 -10.542 1.00 0.00 C ATOM 213 CG LEU A 22 -11.674 17.880 -9.583 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.532 19.170 -10.387 1.00 0.00 C ATOM 215 CD2 LEU A 22 -12.909 17.973 -8.683 1.00 0.00 C ATOM 0 H LEU A 22 -11.355 17.964 -12.552 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.663 16.493 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.634 16.900 -11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.116 15.803 -9.989 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.786 17.735 -8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.419 20.013 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.655 19.103 -11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.421 19.316 -11.000 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.798 18.814 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.797 18.120 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.013 17.051 -8.111 1.00 0.00 H new ATOM 227 N GLN A 23 -11.268 14.976 -13.024 1.00 0.00 N ATOM 228 CA GLN A 23 -11.337 13.674 -13.749 1.00 0.00 C ATOM 229 C GLN A 23 -9.927 13.162 -14.058 1.00 0.00 C ATOM 230 O GLN A 23 -9.620 12.003 -13.859 1.00 0.00 O ATOM 231 CB GLN A 23 -12.089 13.982 -15.044 1.00 0.00 C ATOM 232 CG GLN A 23 -12.318 12.686 -15.823 1.00 0.00 C ATOM 233 CD GLN A 23 -12.178 12.959 -17.321 1.00 0.00 C ATOM 234 OE1 GLN A 23 -11.858 14.059 -17.723 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.407 11.995 -18.172 1.00 0.00 N ATOM 0 H GLN A 23 -11.830 15.726 -13.427 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.833 12.901 -13.161 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.044 14.456 -14.818 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.518 14.686 -15.649 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.597 11.930 -15.512 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.310 12.289 -15.606 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -12.676 11.071 -17.835 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.317 12.167 -19.173 1.00 0.00 H new ATOM 244 N GLN A 24 -9.067 14.016 -14.540 1.00 0.00 N ATOM 245 CA GLN A 24 -7.678 13.577 -14.859 1.00 0.00 C ATOM 246 C GLN A 24 -6.877 13.377 -13.570 1.00 0.00 C ATOM 247 O GLN A 24 -6.209 12.379 -13.392 1.00 0.00 O ATOM 248 CB GLN A 24 -7.084 14.717 -15.688 1.00 0.00 C ATOM 249 CG GLN A 24 -5.664 14.347 -16.120 1.00 0.00 C ATOM 250 CD GLN A 24 -5.721 13.515 -17.403 1.00 0.00 C ATOM 251 OE1 GLN A 24 -6.350 13.906 -18.367 1.00 0.00 O ATOM 252 NE2 GLN A 24 -5.083 12.378 -17.458 1.00 0.00 N ATOM 0 H GLN A 24 -9.265 14.999 -14.727 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.657 12.628 -15.395 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.705 14.906 -16.564 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.070 15.637 -15.103 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.076 15.250 -16.285 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.167 13.783 -15.330 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.555 12.050 -16.649 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.112 11.818 -18.310 1.00 0.00 H new ATOM 261 N LYS A 25 -6.941 14.319 -12.668 1.00 0.00 N ATOM 262 CA LYS A 25 -6.183 14.180 -11.391 1.00 0.00 C ATOM 263 C LYS A 25 -6.611 12.907 -10.657 1.00 0.00 C ATOM 264 O LYS A 25 -5.792 12.163 -10.157 1.00 0.00 O ATOM 265 CB LYS A 25 -6.554 15.420 -10.576 1.00 0.00 C ATOM 266 CG LYS A 25 -5.337 16.340 -10.462 1.00 0.00 C ATOM 267 CD LYS A 25 -5.445 17.459 -11.499 1.00 0.00 C ATOM 268 CE LYS A 25 -4.139 18.258 -11.527 1.00 0.00 C ATOM 269 NZ LYS A 25 -4.145 18.957 -12.843 1.00 0.00 N ATOM 0 H LYS A 25 -7.484 15.177 -12.760 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.108 14.105 -11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.379 15.949 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.896 15.127 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.280 16.763 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.421 15.770 -10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.647 17.038 -12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.280 18.116 -11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.093 18.969 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.273 17.603 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.280 19.527 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.182 18.255 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.977 19.578 -12.902 1.00 0.00 H new ATOM 283 N ILE A 26 -7.889 12.650 -10.591 1.00 0.00 N ATOM 284 CA ILE A 26 -8.368 11.424 -9.890 1.00 0.00 C ATOM 285 C ILE A 26 -7.861 10.171 -10.611 1.00 0.00 C ATOM 286 O ILE A 26 -7.240 9.311 -10.019 1.00 0.00 O ATOM 287 CB ILE A 26 -9.892 11.500 -9.955 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.374 12.725 -9.173 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.494 10.236 -9.339 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.818 13.045 -9.564 1.00 0.00 C ATOM 0 H ILE A 26 -8.622 13.235 -10.992 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.007 11.368 -8.863 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.207 11.583 -10.995 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.310 12.534 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.731 13.580 -9.383 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.582 10.291 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.151 9.362 -9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.179 10.153 -8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.161 13.917 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.868 13.254 -10.633 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.456 12.192 -9.331 1.00 0.00 H new ATOM 302 N HIS A 27 -8.122 10.063 -11.885 1.00 0.00 N ATOM 303 CA HIS A 27 -7.656 8.867 -12.642 1.00 0.00 C ATOM 304 C HIS A 27 -6.130 8.753 -12.565 1.00 0.00 C ATOM 305 O HIS A 27 -5.571 7.681 -12.691 1.00 0.00 O ATOM 306 CB HIS A 27 -8.102 9.112 -14.084 1.00 0.00 C ATOM 307 CG HIS A 27 -8.496 7.805 -14.716 1.00 0.00 C ATOM 308 ND1 HIS A 27 -8.149 7.480 -16.018 1.00 0.00 N ATOM 309 CD2 HIS A 27 -9.207 6.733 -14.239 1.00 0.00 C ATOM 310 CE1 HIS A 27 -8.647 6.257 -16.277 1.00 0.00 C ATOM 311 NE2 HIS A 27 -9.301 5.756 -15.226 1.00 0.00 N ATOM 0 H HIS A 27 -8.637 10.751 -12.434 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.065 7.940 -12.240 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.943 9.805 -14.103 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.295 9.574 -14.652 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.630 6.658 -13.248 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.532 5.743 -17.220 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.769 4.852 -15.161 1.00 0.00 H new ATOM 319 N GLU A 28 -5.453 9.849 -12.359 1.00 0.00 N ATOM 320 CA GLU A 28 -3.965 9.802 -12.274 1.00 0.00 C ATOM 321 C GLU A 28 -3.529 9.329 -10.884 1.00 0.00 C ATOM 322 O GLU A 28 -2.717 8.435 -10.749 1.00 0.00 O ATOM 323 CB GLU A 28 -3.509 11.241 -12.519 1.00 0.00 C ATOM 324 CG GLU A 28 -3.508 11.528 -14.021 1.00 0.00 C ATOM 325 CD GLU A 28 -2.272 10.895 -14.663 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.243 10.859 -14.008 1.00 0.00 O ATOM 327 OE2 GLU A 28 -2.375 10.457 -15.797 1.00 0.00 O ATOM 0 H GLU A 28 -5.865 10.775 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.532 9.109 -12.995 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.173 11.936 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.511 11.392 -12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.413 11.128 -14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.511 12.604 -14.196 1.00 0.00 H new ATOM 334 N LEU A 29 -4.059 9.924 -9.851 1.00 0.00 N ATOM 335 CA LEU A 29 -3.673 9.509 -8.472 1.00 0.00 C ATOM 336 C LEU A 29 -4.090 8.057 -8.220 1.00 0.00 C ATOM 337 O LEU A 29 -3.415 7.319 -7.529 1.00 0.00 O ATOM 338 CB LEU A 29 -4.437 10.455 -7.545 1.00 0.00 C ATOM 339 CG LEU A 29 -3.491 11.538 -7.026 1.00 0.00 C ATOM 340 CD1 LEU A 29 -3.022 12.410 -8.193 1.00 0.00 C ATOM 341 CD2 LEU A 29 -4.225 12.408 -6.003 1.00 0.00 C ATOM 0 H LEU A 29 -4.742 10.679 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.596 9.562 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.270 10.911 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.862 9.898 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.628 11.069 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.348 13.182 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.499 11.791 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.885 12.879 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.551 13.181 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.088 12.876 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.559 11.788 -5.171 1.00 0.00 H new ATOM 353 N GLU A 30 -5.196 7.643 -8.773 1.00 0.00 N ATOM 354 CA GLU A 30 -5.655 6.239 -8.563 1.00 0.00 C ATOM 355 C GLU A 30 -4.594 5.255 -9.065 1.00 0.00 C ATOM 356 O GLU A 30 -4.332 4.242 -8.447 1.00 0.00 O ATOM 357 CB GLU A 30 -6.936 6.113 -9.388 1.00 0.00 C ATOM 358 CG GLU A 30 -7.547 4.728 -9.175 1.00 0.00 C ATOM 359 CD GLU A 30 -7.951 4.134 -10.526 1.00 0.00 C ATOM 360 OE1 GLU A 30 -7.100 4.062 -11.397 1.00 0.00 O ATOM 361 OE2 GLU A 30 -9.104 3.762 -10.666 1.00 0.00 O ATOM 0 H GLU A 30 -5.802 8.215 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.825 6.013 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.647 6.885 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.717 6.267 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.829 4.075 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.417 4.799 -8.522 1.00 0.00 H new ATOM 368 N GLY A 31 -3.981 5.546 -10.180 1.00 0.00 N ATOM 369 CA GLY A 31 -2.939 4.626 -10.719 1.00 0.00 C ATOM 370 C GLY A 31 -1.638 4.812 -9.937 1.00 0.00 C ATOM 371 O GLY A 31 -0.859 3.893 -9.781 1.00 0.00 O ATOM 0 H GLY A 31 -4.156 6.380 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.277 3.593 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.772 4.829 -11.777 1.00 0.00 H new ATOM 375 N LEU A 32 -1.396 5.996 -9.442 1.00 0.00 N ATOM 376 CA LEU A 32 -0.144 6.239 -8.670 1.00 0.00 C ATOM 377 C LEU A 32 -0.144 5.410 -7.383 1.00 0.00 C ATOM 378 O LEU A 32 0.893 5.029 -6.878 1.00 0.00 O ATOM 379 CB LEU A 32 -0.165 7.734 -8.346 1.00 0.00 C ATOM 380 CG LEU A 32 1.212 8.168 -7.842 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.120 8.471 -9.036 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.068 9.423 -6.981 1.00 0.00 C ATOM 0 H LEU A 32 -2.010 6.804 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 32 0.748 5.954 -9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.435 8.305 -9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.922 7.942 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 32 1.649 7.367 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.102 8.780 -8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.224 7.577 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.682 9.272 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.049 9.732 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.630 10.224 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.421 9.208 -6.130 1.00 0.00 H new ATOM 394 N MET A 33 -1.301 5.127 -6.849 1.00 0.00 N ATOM 395 CA MET A 33 -1.366 4.323 -5.594 1.00 0.00 C ATOM 396 C MET A 33 -0.775 2.929 -5.825 1.00 0.00 C ATOM 397 O MET A 33 0.183 2.538 -5.189 1.00 0.00 O ATOM 398 CB MET A 33 -2.856 4.223 -5.264 1.00 0.00 C ATOM 399 CG MET A 33 -3.116 4.840 -3.888 1.00 0.00 C ATOM 400 SD MET A 33 -4.751 5.614 -3.871 1.00 0.00 S ATOM 401 CE MET A 33 -5.709 4.131 -4.267 1.00 0.00 C ATOM 0 H MET A 33 -2.203 5.417 -7.226 1.00 0.00 H new ATOM 0 HA MET A 33 -0.797 4.779 -4.784 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.443 4.740 -6.023 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.172 3.180 -5.272 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.058 4.072 -3.117 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.349 5.580 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.757 4.297 -4.017 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.620 3.914 -5.331 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.328 3.287 -3.691 1.00 0.00 H new ATOM 411 N MET A 34 -1.342 2.177 -6.728 1.00 0.00 N ATOM 412 CA MET A 34 -0.816 0.806 -6.997 1.00 0.00 C ATOM 413 C MET A 34 0.656 0.871 -7.417 1.00 0.00 C ATOM 414 O MET A 34 1.424 -0.032 -7.155 1.00 0.00 O ATOM 415 CB MET A 34 -1.676 0.271 -8.142 1.00 0.00 C ATOM 416 CG MET A 34 -3.152 0.333 -7.746 1.00 0.00 C ATOM 417 SD MET A 34 -4.036 -1.060 -8.491 1.00 0.00 S ATOM 418 CE MET A 34 -4.022 -2.140 -7.041 1.00 0.00 C ATOM 0 H MET A 34 -2.147 2.451 -7.292 1.00 0.00 H new ATOM 0 HA MET A 34 -0.864 0.167 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.506 0.859 -9.044 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.394 -0.756 -8.373 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.250 0.301 -6.661 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.589 1.275 -8.078 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.701 -2.977 -7.204 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.013 -2.518 -6.878 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.344 -1.577 -6.165 1.00 0.00 H new ATOM 428 N GLN A 35 1.051 1.929 -8.069 1.00 0.00 N ATOM 429 CA GLN A 35 2.472 2.047 -8.507 1.00 0.00 C ATOM 430 C GLN A 35 3.417 1.855 -7.315 1.00 0.00 C ATOM 431 O GLN A 35 4.031 0.819 -7.159 1.00 0.00 O ATOM 432 CB GLN A 35 2.594 3.463 -9.076 1.00 0.00 C ATOM 433 CG GLN A 35 4.046 3.733 -9.479 1.00 0.00 C ATOM 434 CD GLN A 35 4.169 3.686 -11.004 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.214 2.622 -11.588 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.226 4.803 -11.676 1.00 0.00 N ATOM 0 H GLN A 35 0.453 2.717 -8.318 1.00 0.00 H new ATOM 0 HA GLN A 35 2.742 1.289 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.939 3.576 -9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.271 4.193 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.362 4.708 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.704 2.991 -9.027 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.188 5.696 -11.185 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.308 4.783 -12.692 1.00 0.00 H new ATOM 445 N HIS A 36 3.541 2.847 -6.475 1.00 0.00 N ATOM 446 CA HIS A 36 4.450 2.719 -5.299 1.00 0.00 C ATOM 447 C HIS A 36 4.062 1.497 -4.456 1.00 0.00 C ATOM 448 O HIS A 36 4.897 0.689 -4.102 1.00 0.00 O ATOM 449 CB HIS A 36 4.253 4.012 -4.509 1.00 0.00 C ATOM 450 CG HIS A 36 5.023 5.123 -5.170 1.00 0.00 C ATOM 451 ND1 HIS A 36 4.466 6.369 -5.403 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.305 5.188 -5.655 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.402 7.125 -6.005 1.00 0.00 C ATOM 454 NE2 HIS A 36 6.543 6.454 -6.182 1.00 0.00 N ATOM 0 H HIS A 36 3.053 3.739 -6.552 1.00 0.00 H new ATOM 0 HA HIS A 36 5.490 2.577 -5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.194 4.266 -4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.594 3.879 -3.482 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.021 4.380 -5.631 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.249 8.150 -6.308 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.403 6.796 -6.611 1.00 0.00 H new ATOM 462 N ALA A 37 2.801 1.351 -4.139 1.00 0.00 N ATOM 463 CA ALA A 37 2.360 0.175 -3.327 1.00 0.00 C ATOM 464 C ALA A 37 2.930 -1.116 -3.926 1.00 0.00 C ATOM 465 O ALA A 37 3.360 -2.005 -3.219 1.00 0.00 O ATOM 466 CB ALA A 37 0.834 0.180 -3.423 1.00 0.00 C ATOM 0 H ALA A 37 2.057 1.995 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 37 2.704 0.229 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.431 -0.656 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.447 1.116 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.535 0.084 -4.467 1.00 0.00 H new ATOM 472 N GLN A 38 2.949 -1.215 -5.230 1.00 0.00 N ATOM 473 CA GLN A 38 3.505 -2.438 -5.877 1.00 0.00 C ATOM 474 C GLN A 38 4.995 -2.550 -5.552 1.00 0.00 C ATOM 475 O GLN A 38 5.530 -3.628 -5.392 1.00 0.00 O ATOM 476 CB GLN A 38 3.292 -2.231 -7.377 1.00 0.00 C ATOM 477 CG GLN A 38 1.986 -2.903 -7.804 1.00 0.00 C ATOM 478 CD GLN A 38 1.681 -2.547 -9.261 1.00 0.00 C ATOM 479 OE1 GLN A 38 0.923 -1.637 -9.529 1.00 0.00 O ATOM 480 NE2 GLN A 38 2.243 -3.232 -10.219 1.00 0.00 N ATOM 0 H GLN A 38 2.604 -0.502 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 38 3.025 -3.353 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.258 -1.166 -7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.129 -2.651 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.068 -3.984 -7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.169 -2.577 -7.160 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.880 -3.996 -9.994 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.046 -3.003 -11.193 1.00 0.00 H new ATOM 489 N ASN A 39 5.664 -1.434 -5.435 1.00 0.00 N ATOM 490 CA ASN A 39 7.115 -1.462 -5.099 1.00 0.00 C ATOM 491 C ASN A 39 7.294 -1.385 -3.578 1.00 0.00 C ATOM 492 O ASN A 39 8.361 -1.078 -3.082 1.00 0.00 O ATOM 493 CB ASN A 39 7.705 -0.224 -5.775 1.00 0.00 C ATOM 494 CG ASN A 39 7.402 -0.267 -7.274 1.00 0.00 C ATOM 495 OD1 ASN A 39 7.188 -1.325 -7.833 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.374 0.847 -7.954 1.00 0.00 N ATOM 0 H ASN A 39 5.266 -0.503 -5.558 1.00 0.00 H new ATOM 0 HA ASN A 39 7.605 -2.375 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.284 0.680 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.782 -0.186 -5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.173 0.829 -8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.553 1.735 -7.486 1.00 0.00 H new ATOM 503 N LEU A 40 6.252 -1.663 -2.838 1.00 0.00 N ATOM 504 CA LEU A 40 6.341 -1.614 -1.351 1.00 0.00 C ATOM 505 C LEU A 40 6.826 -0.244 -0.877 1.00 0.00 C ATOM 506 O LEU A 40 7.355 -0.105 0.208 1.00 0.00 O ATOM 507 CB LEU A 40 7.340 -2.707 -0.970 1.00 0.00 C ATOM 508 CG LEU A 40 6.625 -4.058 -0.927 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.590 -4.662 -2.333 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.376 -5.002 0.014 1.00 0.00 C ATOM 0 H LEU A 40 5.337 -1.924 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 40 5.369 -1.772 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.155 -2.738 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.783 -2.487 0.001 1.00 0.00 H new ATOM 0 HG LEU A 40 5.606 -3.918 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.080 -5.625 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.056 -3.990 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.609 -4.802 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.867 -5.965 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.395 -5.141 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.402 -4.573 1.016 1.00 0.00 H new ATOM 522 N GLU A 41 6.630 0.774 -1.666 1.00 0.00 N ATOM 523 CA GLU A 41 7.062 2.134 -1.236 1.00 0.00 C ATOM 524 C GLU A 41 6.175 2.592 -0.077 1.00 0.00 C ATOM 525 O GLU A 41 6.644 3.106 0.919 1.00 0.00 O ATOM 526 CB GLU A 41 6.859 3.027 -2.460 1.00 0.00 C ATOM 527 CG GLU A 41 8.201 3.239 -3.165 1.00 0.00 C ATOM 528 CD GLU A 41 9.010 4.298 -2.413 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.056 4.226 -1.196 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.570 5.163 -3.067 1.00 0.00 O ATOM 0 H GLU A 41 6.192 0.725 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 41 8.096 2.164 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.145 2.568 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.439 3.986 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.756 2.302 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.037 3.555 -4.195 1.00 0.00 H new ATOM 537 N PHE A 42 4.895 2.385 -0.203 1.00 0.00 N ATOM 538 CA PHE A 42 3.949 2.777 0.881 1.00 0.00 C ATOM 539 C PHE A 42 4.201 4.209 1.347 1.00 0.00 C ATOM 540 O PHE A 42 5.032 4.907 0.806 1.00 0.00 O ATOM 541 CB PHE A 42 4.216 1.789 2.016 1.00 0.00 C ATOM 542 CG PHE A 42 3.379 0.549 1.818 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.004 0.663 1.512 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.971 -0.728 1.943 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.222 -0.498 1.332 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.188 -1.890 1.761 1.00 0.00 C ATOM 547 CZ PHE A 42 1.813 -1.774 1.457 1.00 0.00 C ATOM 0 H PHE A 42 4.458 1.956 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 42 2.914 2.747 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.273 1.526 2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.980 2.250 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.551 1.639 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.022 -0.816 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.171 -0.410 1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.640 -2.866 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.214 -2.662 1.320 1.00 0.00 H new ATOM 557 N GLU A 43 3.452 4.638 2.336 1.00 0.00 N ATOM 558 CA GLU A 43 3.559 6.025 2.885 1.00 0.00 C ATOM 559 C GLU A 43 3.118 7.016 1.819 1.00 0.00 C ATOM 560 O GLU A 43 2.131 7.709 1.959 1.00 0.00 O ATOM 561 CB GLU A 43 5.029 6.237 3.267 1.00 0.00 C ATOM 562 CG GLU A 43 5.214 7.675 3.750 1.00 0.00 C ATOM 563 CD GLU A 43 6.707 7.997 3.836 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.455 7.136 4.269 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.078 9.100 3.469 1.00 0.00 O ATOM 0 H GLU A 43 2.748 4.063 2.799 1.00 0.00 H new ATOM 0 HA GLU A 43 2.923 6.172 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.320 5.536 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.673 6.042 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.721 8.366 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.746 7.805 4.726 1.00 0.00 H new ATOM 572 N GLU A 44 3.832 7.061 0.746 1.00 0.00 N ATOM 573 CA GLU A 44 3.467 7.974 -0.369 1.00 0.00 C ATOM 574 C GLU A 44 2.387 7.322 -1.239 1.00 0.00 C ATOM 575 O GLU A 44 1.567 7.990 -1.835 1.00 0.00 O ATOM 576 CB GLU A 44 4.762 8.181 -1.163 1.00 0.00 C ATOM 577 CG GLU A 44 5.206 6.856 -1.794 1.00 0.00 C ATOM 578 CD GLU A 44 6.389 7.111 -2.729 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.257 7.949 -3.607 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.409 6.465 -2.552 1.00 0.00 O ATOM 0 H GLU A 44 4.667 6.498 0.584 1.00 0.00 H new ATOM 0 HA GLU A 44 3.063 8.923 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.607 8.930 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.544 8.561 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.489 6.147 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.380 6.409 -2.348 1.00 0.00 H new ATOM 587 N ALA A 45 2.393 6.016 -1.324 1.00 0.00 N ATOM 588 CA ALA A 45 1.380 5.315 -2.165 1.00 0.00 C ATOM 589 C ALA A 45 0.048 5.176 -1.424 1.00 0.00 C ATOM 590 O ALA A 45 -1.006 5.430 -1.973 1.00 0.00 O ATOM 591 CB ALA A 45 1.980 3.934 -2.428 1.00 0.00 C ATOM 0 H ALA A 45 3.056 5.406 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 45 1.169 5.864 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.295 3.351 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.931 4.044 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.142 3.421 -1.480 1.00 0.00 H new ATOM 597 N ALA A 46 0.082 4.755 -0.191 1.00 0.00 N ATOM 598 CA ALA A 46 -1.189 4.581 0.569 1.00 0.00 C ATOM 599 C ALA A 46 -1.764 5.935 0.994 1.00 0.00 C ATOM 600 O ALA A 46 -2.934 6.047 1.299 1.00 0.00 O ATOM 601 CB ALA A 46 -0.807 3.741 1.789 1.00 0.00 C ATOM 0 H ALA A 46 0.932 4.524 0.323 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.961 4.101 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.691 3.568 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.401 2.785 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.057 4.271 2.375 1.00 0.00 H new ATOM 607 N GLN A 47 -0.964 6.964 1.015 1.00 0.00 N ATOM 608 CA GLN A 47 -1.492 8.299 1.419 1.00 0.00 C ATOM 609 C GLN A 47 -2.391 8.863 0.315 1.00 0.00 C ATOM 610 O GLN A 47 -3.407 9.473 0.581 1.00 0.00 O ATOM 611 CB GLN A 47 -0.263 9.184 1.608 1.00 0.00 C ATOM 612 CG GLN A 47 0.175 9.144 3.073 1.00 0.00 C ATOM 613 CD GLN A 47 1.447 9.974 3.249 1.00 0.00 C ATOM 614 OE1 GLN A 47 1.571 11.044 2.688 1.00 0.00 O ATOM 615 NE2 GLN A 47 2.405 9.524 4.012 1.00 0.00 N ATOM 0 H GLN A 47 0.026 6.941 0.772 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.091 8.243 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.548 8.840 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.491 10.208 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.618 9.534 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.355 8.114 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.302 8.625 4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.257 10.071 4.137 1.00 0.00 H new ATOM 624 N ILE A 48 -2.029 8.659 -0.926 1.00 0.00 N ATOM 625 CA ILE A 48 -2.870 9.180 -2.046 1.00 0.00 C ATOM 626 C ILE A 48 -4.329 8.768 -1.835 1.00 0.00 C ATOM 627 O ILE A 48 -5.245 9.447 -2.253 1.00 0.00 O ATOM 628 CB ILE A 48 -2.297 8.530 -3.307 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.879 9.053 -3.547 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.177 8.874 -4.511 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.919 10.569 -3.749 1.00 0.00 C ATOM 0 H ILE A 48 -1.189 8.155 -1.212 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.853 10.268 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.272 7.448 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.241 8.806 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.446 8.570 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.766 8.409 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.188 8.503 -4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.205 9.956 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.092 10.940 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.543 10.805 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.334 11.044 -2.860 1.00 0.00 H new ATOM 643 N ARG A 49 -4.547 7.664 -1.174 1.00 0.00 N ATOM 644 CA ARG A 49 -5.941 7.210 -0.915 1.00 0.00 C ATOM 645 C ARG A 49 -6.721 8.338 -0.225 1.00 0.00 C ATOM 646 O ARG A 49 -7.931 8.412 -0.309 1.00 0.00 O ATOM 647 CB ARG A 49 -5.780 5.985 -0.003 1.00 0.00 C ATOM 648 CG ARG A 49 -7.105 5.640 0.688 1.00 0.00 C ATOM 649 CD ARG A 49 -6.944 5.798 2.203 1.00 0.00 C ATOM 650 NE ARG A 49 -6.475 7.199 2.404 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.222 8.048 3.054 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.483 8.179 2.743 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.710 8.764 4.017 1.00 0.00 N ATOM 0 H ARG A 49 -3.817 7.056 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.495 6.958 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.438 5.132 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.015 6.183 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.898 6.294 0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.399 4.618 0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.887 5.621 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.224 5.082 2.599 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.571 7.493 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.884 7.617 1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.067 8.843 3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.725 8.660 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.294 9.428 4.525 1.00 0.00 H new ATOM 667 N ASP A 50 -6.032 9.218 0.448 1.00 0.00 N ATOM 668 CA ASP A 50 -6.728 10.344 1.133 1.00 0.00 C ATOM 669 C ASP A 50 -7.098 11.423 0.113 1.00 0.00 C ATOM 670 O ASP A 50 -8.109 12.084 0.233 1.00 0.00 O ATOM 671 CB ASP A 50 -5.712 10.883 2.143 1.00 0.00 C ATOM 672 CG ASP A 50 -6.427 11.778 3.156 1.00 0.00 C ATOM 673 OD1 ASP A 50 -7.403 11.326 3.733 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.986 12.901 3.339 1.00 0.00 O ATOM 0 H ASP A 50 -5.018 9.206 0.553 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.652 10.030 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.219 10.057 2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.935 11.447 1.628 1.00 0.00 H new ATOM 679 N GLN A 51 -6.285 11.600 -0.894 1.00 0.00 N ATOM 680 CA GLN A 51 -6.592 12.631 -1.926 1.00 0.00 C ATOM 681 C GLN A 51 -7.661 12.104 -2.888 1.00 0.00 C ATOM 682 O GLN A 51 -8.565 12.816 -3.278 1.00 0.00 O ATOM 683 CB GLN A 51 -5.272 12.861 -2.663 1.00 0.00 C ATOM 684 CG GLN A 51 -4.185 13.245 -1.657 1.00 0.00 C ATOM 685 CD GLN A 51 -2.885 13.551 -2.404 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.829 13.086 -2.024 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.918 14.319 -3.458 1.00 0.00 N ATOM 0 H GLN A 51 -5.423 11.076 -1.046 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.978 13.553 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.982 11.959 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.391 13.650 -3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.499 14.115 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.027 12.432 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.805 14.709 -3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.057 14.529 -3.963 1.00 0.00 H new ATOM 696 N LEU A 52 -7.565 10.860 -3.268 1.00 0.00 N ATOM 697 CA LEU A 52 -8.576 10.284 -4.200 1.00 0.00 C ATOM 698 C LEU A 52 -9.961 10.298 -3.548 1.00 0.00 C ATOM 699 O LEU A 52 -10.953 10.596 -4.180 1.00 0.00 O ATOM 700 CB LEU A 52 -8.113 8.847 -4.447 1.00 0.00 C ATOM 701 CG LEU A 52 -8.163 8.543 -5.945 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.599 8.700 -6.451 1.00 0.00 C ATOM 703 CD2 LEU A 52 -7.252 9.519 -6.694 1.00 0.00 C ATOM 0 H LEU A 52 -6.830 10.217 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.655 10.851 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.099 8.711 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.750 8.150 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.825 7.521 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.634 8.483 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.250 8.007 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.936 9.722 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.287 9.303 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.591 10.540 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.229 9.410 -6.335 1.00 0.00 H new ATOM 715 N HIS A 53 -10.032 9.976 -2.284 1.00 0.00 N ATOM 716 CA HIS A 53 -11.351 9.972 -1.589 1.00 0.00 C ATOM 717 C HIS A 53 -11.837 11.408 -1.372 1.00 0.00 C ATOM 718 O HIS A 53 -12.996 11.717 -1.562 1.00 0.00 O ATOM 719 CB HIS A 53 -11.090 9.285 -0.249 1.00 0.00 C ATOM 720 CG HIS A 53 -11.445 7.827 -0.354 1.00 0.00 C ATOM 721 ND1 HIS A 53 -10.496 6.854 -0.627 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.639 7.162 -0.225 1.00 0.00 C ATOM 723 CE1 HIS A 53 -11.129 5.668 -0.653 1.00 0.00 C ATOM 724 NE2 HIS A 53 -12.437 5.798 -0.414 1.00 0.00 N ATOM 0 H HIS A 53 -9.234 9.716 -1.704 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.121 9.460 -2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.042 9.396 0.030 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.681 9.758 0.535 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -9.500 7.009 -0.780 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -13.590 7.626 -0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.639 4.725 -0.844 1.00 0.00 H new ATOM 732 N GLN A 54 -10.956 12.287 -0.976 1.00 0.00 N ATOM 733 CA GLN A 54 -11.368 13.702 -0.748 1.00 0.00 C ATOM 734 C GLN A 54 -11.777 14.352 -2.072 1.00 0.00 C ATOM 735 O GLN A 54 -12.704 15.135 -2.129 1.00 0.00 O ATOM 736 CB GLN A 54 -10.127 14.387 -0.174 1.00 0.00 C ATOM 737 CG GLN A 54 -10.153 14.296 1.353 1.00 0.00 C ATOM 738 CD GLN A 54 -9.287 15.410 1.945 1.00 0.00 C ATOM 739 OE1 GLN A 54 -8.120 15.210 2.217 1.00 0.00 O ATOM 740 NE2 GLN A 54 -9.814 16.585 2.159 1.00 0.00 N ATOM 0 H GLN A 54 -9.971 12.087 -0.801 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.224 13.782 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.225 13.913 -0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.098 15.431 -0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.177 14.385 1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.784 13.323 1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.794 16.754 1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.246 17.334 2.554 1.00 0.00 H new ATOM 749 N LEU A 55 -11.093 14.032 -3.136 1.00 0.00 N ATOM 750 CA LEU A 55 -11.445 14.631 -4.456 1.00 0.00 C ATOM 751 C LEU A 55 -12.840 14.173 -4.890 1.00 0.00 C ATOM 752 O LEU A 55 -13.489 14.807 -5.698 1.00 0.00 O ATOM 753 CB LEU A 55 -10.383 14.108 -5.423 1.00 0.00 C ATOM 754 CG LEU A 55 -9.343 15.200 -5.680 1.00 0.00 C ATOM 755 CD1 LEU A 55 -8.051 14.860 -4.936 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.057 15.288 -7.181 1.00 0.00 C ATOM 0 H LEU A 55 -10.307 13.383 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.465 15.720 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.901 13.223 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.848 13.806 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.726 16.157 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.310 15.638 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.253 14.796 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.668 13.903 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.316 16.066 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.674 14.331 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.977 15.530 -7.713 1.00 0.00 H new ATOM 768 N ARG A 56 -13.306 13.076 -4.358 1.00 0.00 N ATOM 769 CA ARG A 56 -14.659 12.579 -4.740 1.00 0.00 C ATOM 770 C ARG A 56 -15.723 13.620 -4.384 1.00 0.00 C ATOM 771 O ARG A 56 -16.387 14.163 -5.246 1.00 0.00 O ATOM 772 CB ARG A 56 -14.860 11.305 -3.918 1.00 0.00 C ATOM 773 CG ARG A 56 -16.222 10.693 -4.248 1.00 0.00 C ATOM 774 CD ARG A 56 -16.662 9.778 -3.104 1.00 0.00 C ATOM 775 NE ARG A 56 -18.134 9.626 -3.277 1.00 0.00 N ATOM 776 CZ ARG A 56 -18.751 8.602 -2.754 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.975 7.537 -3.475 1.00 0.00 N ATOM 778 NH2 ARG A 56 -19.142 8.642 -1.510 1.00 0.00 N ATOM 0 H ARG A 56 -12.809 12.503 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.743 12.391 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.066 10.590 -4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.800 11.533 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.959 11.481 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.163 10.127 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.157 8.813 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.421 10.214 -2.135 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.660 10.323 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.668 7.505 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.457 6.737 -3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.965 9.474 -0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.624 7.842 -1.101 1.00 0.00 H new ATOM 792 N GLU A 57 -15.890 13.904 -3.121 1.00 0.00 N ATOM 793 CA GLU A 57 -16.911 14.911 -2.713 1.00 0.00 C ATOM 794 C GLU A 57 -16.672 16.233 -3.449 1.00 0.00 C ATOM 795 O GLU A 57 -17.572 17.031 -3.618 1.00 0.00 O ATOM 796 CB GLU A 57 -16.711 15.091 -1.208 1.00 0.00 C ATOM 797 CG GLU A 57 -15.280 15.559 -0.935 1.00 0.00 C ATOM 798 CD GLU A 57 -15.166 16.037 0.513 1.00 0.00 C ATOM 799 OE1 GLU A 57 -15.761 17.053 0.831 1.00 0.00 O ATOM 800 OE2 GLU A 57 -14.485 15.377 1.281 1.00 0.00 O ATOM 0 H GLU A 57 -15.364 13.483 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.925 14.592 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.423 15.819 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.903 14.151 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.579 14.744 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.014 16.366 -1.617 1.00 0.00 H new ATOM 807 N LEU A 58 -15.467 16.467 -3.887 1.00 0.00 N ATOM 808 CA LEU A 58 -15.170 17.737 -4.613 1.00 0.00 C ATOM 809 C LEU A 58 -15.890 17.755 -5.965 1.00 0.00 C ATOM 810 O LEU A 58 -16.093 18.797 -6.555 1.00 0.00 O ATOM 811 CB LEU A 58 -13.654 17.733 -4.812 1.00 0.00 C ATOM 812 CG LEU A 58 -13.012 18.739 -3.856 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.666 18.195 -3.370 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.790 20.065 -4.586 1.00 0.00 C ATOM 0 H LEU A 58 -14.674 15.835 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.507 18.616 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.255 16.735 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.411 17.989 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.670 18.898 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.208 18.912 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.822 17.249 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.008 18.036 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.332 20.783 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.132 19.904 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.747 20.454 -4.933 1.00 0.00 H new ATOM 826 N PHE A 59 -16.277 16.610 -6.460 1.00 0.00 N ATOM 827 CA PHE A 59 -16.982 16.565 -7.774 1.00 0.00 C ATOM 828 C PHE A 59 -18.175 17.525 -7.768 1.00 0.00 C ATOM 829 O PHE A 59 -18.445 18.201 -8.742 1.00 0.00 O ATOM 830 CB PHE A 59 -17.457 15.119 -7.917 1.00 0.00 C ATOM 831 CG PHE A 59 -18.216 14.965 -9.213 1.00 0.00 C ATOM 832 CD1 PHE A 59 -19.536 15.455 -9.322 1.00 0.00 C ATOM 833 CD2 PHE A 59 -17.605 14.330 -10.318 1.00 0.00 C ATOM 834 CE1 PHE A 59 -20.247 15.311 -10.535 1.00 0.00 C ATOM 835 CE2 PHE A 59 -18.315 14.185 -11.531 1.00 0.00 C ATOM 836 CZ PHE A 59 -19.636 14.675 -11.640 1.00 0.00 C ATOM 0 H PHE A 59 -16.136 15.705 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.338 16.866 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.604 14.441 -7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -18.095 14.849 -7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -20.003 15.940 -8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -16.595 13.956 -10.235 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -21.256 15.687 -10.618 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -17.848 13.700 -12.375 1.00 0.00 H new ATOM 0 HZ PHE A 59 -20.179 14.564 -12.567 1.00 0.00 H new ATOM 846 N ILE A 60 -18.890 17.591 -6.678 1.00 0.00 N ATOM 847 CA ILE A 60 -20.065 18.507 -6.612 1.00 0.00 C ATOM 848 C ILE A 60 -19.596 19.958 -6.460 1.00 0.00 C ATOM 849 O ILE A 60 -20.092 20.852 -7.114 1.00 0.00 O ATOM 850 CB ILE A 60 -20.844 18.064 -5.374 1.00 0.00 C ATOM 851 CG1 ILE A 60 -21.216 16.585 -5.511 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.119 18.899 -5.246 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.763 15.828 -4.260 1.00 0.00 C ATOM 0 H ILE A 60 -18.712 17.051 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.675 18.462 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.227 18.206 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.293 16.480 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.744 16.161 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.674 18.583 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.856 19.953 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.737 18.758 -6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.027 14.775 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.683 15.922 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.256 16.247 -3.383 1.00 0.00 H new ATOM 865 N ALA A 61 -18.642 20.195 -5.601 1.00 0.00 N ATOM 866 CA ALA A 61 -18.142 21.586 -5.409 1.00 0.00 C ATOM 867 C ALA A 61 -17.571 22.129 -6.723 1.00 0.00 C ATOM 868 O ALA A 61 -17.514 23.324 -6.939 1.00 0.00 O ATOM 869 CB ALA A 61 -17.042 21.470 -4.353 1.00 0.00 C ATOM 0 H ALA A 61 -18.188 19.486 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.932 22.270 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.622 22.456 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.462 21.064 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.257 20.807 -4.717 1.00 0.00 H new ATOM 875 N ALA A 62 -17.149 21.261 -7.600 1.00 0.00 N ATOM 876 CA ALA A 62 -16.581 21.728 -8.898 1.00 0.00 C ATOM 877 C ALA A 62 -17.607 21.542 -10.020 1.00 0.00 C ATOM 878 O ALA A 62 -18.050 22.495 -10.631 1.00 0.00 O ATOM 879 CB ALA A 62 -15.359 20.841 -9.138 1.00 0.00 C ATOM 0 H ALA A 62 -17.172 20.249 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 62 -16.319 22.786 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.884 21.123 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.650 20.969 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.671 19.798 -9.188 1.00 0.00 H new ATOM 885 N SER A 63 -17.988 20.325 -10.294 1.00 0.00 N ATOM 886 CA SER A 63 -18.984 20.081 -11.376 1.00 0.00 C ATOM 887 C SER A 63 -20.405 20.129 -10.808 1.00 0.00 C ATOM 888 O SER A 63 -21.218 19.325 -11.230 1.00 0.00 O ATOM 889 CB SER A 63 -18.664 18.682 -11.901 1.00 0.00 C ATOM 890 OG SER A 63 -19.583 18.346 -12.932 1.00 0.00 O ATOM 891 OXT SER A 63 -20.654 20.970 -9.959 1.00 0.00 O ATOM 0 H SER A 63 -17.653 19.489 -9.816 1.00 0.00 H new ATOM 0 HA SER A 63 -18.931 20.834 -12.163 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.644 18.649 -12.283 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.726 17.954 -11.092 1.00 0.00 H new ATOM 0 HG SER A 63 -20.497 18.516 -12.623 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 33.589 -31.933 4.722 1.00 0.00 N ATOM 899 CA LEU B 8 32.189 -32.351 5.023 1.00 0.00 C ATOM 900 C LEU B 8 31.852 -32.052 6.486 1.00 0.00 C ATOM 901 O LEU B 8 31.856 -32.929 7.326 1.00 0.00 O ATOM 902 CB LEU B 8 32.161 -33.857 4.763 1.00 0.00 C ATOM 903 CG LEU B 8 30.731 -34.293 4.441 1.00 0.00 C ATOM 904 CD1 LEU B 8 30.741 -35.226 3.229 1.00 0.00 C ATOM 905 CD2 LEU B 8 30.141 -35.030 5.646 1.00 0.00 C ATOM 0 HA LEU B 8 31.458 -31.819 4.414 1.00 0.00 H new ATOM 0 HB2 LEU B 8 32.824 -34.106 3.934 1.00 0.00 H new ATOM 0 HB3 LEU B 8 32.528 -34.395 5.637 1.00 0.00 H new ATOM 0 HG LEU B 8 30.125 -33.415 4.217 1.00 0.00 H new ATOM 0 HD11 LEU B 8 29.721 -35.536 3.000 1.00 0.00 H new ATOM 0 HD12 LEU B 8 31.162 -34.703 2.371 1.00 0.00 H new ATOM 0 HD13 LEU B 8 31.346 -36.105 3.451 1.00 0.00 H new ATOM 0 HD21 LEU B 8 29.122 -35.342 5.418 1.00 0.00 H new ATOM 0 HD22 LEU B 8 30.748 -35.908 5.868 1.00 0.00 H new ATOM 0 HD23 LEU B 8 30.133 -34.366 6.510 1.00 0.00 H new ATOM 917 N GLU B 9 31.557 -30.819 6.797 1.00 0.00 N ATOM 918 CA GLU B 9 31.219 -30.465 8.205 1.00 0.00 C ATOM 919 C GLU B 9 30.061 -29.460 8.237 1.00 0.00 C ATOM 920 O GLU B 9 30.164 -28.421 8.859 1.00 0.00 O ATOM 921 CB GLU B 9 32.492 -29.835 8.773 1.00 0.00 C ATOM 922 CG GLU B 9 33.373 -30.925 9.384 1.00 0.00 C ATOM 923 CD GLU B 9 34.653 -30.298 9.939 1.00 0.00 C ATOM 924 OE1 GLU B 9 35.030 -29.244 9.455 1.00 0.00 O ATOM 925 OE2 GLU B 9 35.235 -30.882 10.838 1.00 0.00 O ATOM 0 H GLU B 9 31.535 -30.042 6.137 1.00 0.00 H new ATOM 0 HA GLU B 9 30.901 -31.333 8.783 1.00 0.00 H new ATOM 0 HB2 GLU B 9 33.035 -29.313 7.985 1.00 0.00 H new ATOM 0 HB3 GLU B 9 32.237 -29.093 9.529 1.00 0.00 H new ATOM 0 HG2 GLU B 9 32.834 -31.440 10.179 1.00 0.00 H new ATOM 0 HG3 GLU B 9 33.619 -31.673 8.630 1.00 0.00 H new ATOM 932 N PRO B 10 28.990 -29.801 7.562 1.00 0.00 N ATOM 933 CA PRO B 10 27.806 -28.907 7.520 1.00 0.00 C ATOM 934 C PRO B 10 27.076 -28.925 8.866 1.00 0.00 C ATOM 935 O PRO B 10 26.802 -27.894 9.445 1.00 0.00 O ATOM 936 CB PRO B 10 26.937 -29.513 6.422 1.00 0.00 C ATOM 937 CG PRO B 10 27.335 -30.952 6.360 1.00 0.00 C ATOM 938 CD PRO B 10 28.779 -31.031 6.785 1.00 0.00 C ATOM 0 HA PRO B 10 28.062 -27.865 7.327 1.00 0.00 H new ATOM 0 HB2 PRO B 10 25.877 -29.407 6.654 1.00 0.00 H new ATOM 0 HB3 PRO B 10 27.105 -29.016 5.467 1.00 0.00 H new ATOM 0 HG2 PRO B 10 26.707 -31.554 7.016 1.00 0.00 H new ATOM 0 HG3 PRO B 10 27.209 -31.344 5.351 1.00 0.00 H new ATOM 0 HD2 PRO B 10 28.970 -31.920 7.386 1.00 0.00 H new ATOM 0 HD3 PRO B 10 29.446 -31.079 5.924 1.00 0.00 H new ATOM 946 N ASP B 11 26.762 -30.094 9.365 1.00 0.00 N ATOM 947 CA ASP B 11 26.046 -30.197 10.676 1.00 0.00 C ATOM 948 C ASP B 11 24.685 -29.500 10.595 1.00 0.00 C ATOM 949 O ASP B 11 23.662 -30.134 10.428 1.00 0.00 O ATOM 950 CB ASP B 11 26.951 -29.500 11.698 1.00 0.00 C ATOM 951 CG ASP B 11 27.481 -30.531 12.696 1.00 0.00 C ATOM 952 OD1 ASP B 11 27.882 -31.596 12.260 1.00 0.00 O ATOM 953 OD2 ASP B 11 27.477 -30.236 13.880 1.00 0.00 O ATOM 0 H ASP B 11 26.971 -30.987 8.919 1.00 0.00 H new ATOM 0 HA ASP B 11 25.856 -31.234 10.953 1.00 0.00 H new ATOM 0 HB2 ASP B 11 27.781 -29.010 11.190 1.00 0.00 H new ATOM 0 HB3 ASP B 11 26.395 -28.723 12.222 1.00 0.00 H new ATOM 958 N ASN B 12 24.663 -28.201 10.712 1.00 0.00 N ATOM 959 CA ASN B 12 23.368 -27.467 10.639 1.00 0.00 C ATOM 960 C ASN B 12 23.617 -25.957 10.610 1.00 0.00 C ATOM 961 O ASN B 12 22.855 -25.182 11.153 1.00 0.00 O ATOM 962 CB ASN B 12 22.617 -27.862 11.912 1.00 0.00 C ATOM 963 CG ASN B 12 21.111 -27.831 11.648 1.00 0.00 C ATOM 964 OD1 ASN B 12 20.387 -28.702 12.087 1.00 0.00 O ATOM 965 ND2 ASN B 12 20.604 -26.855 10.945 1.00 0.00 N ATOM 0 H ASN B 12 25.486 -27.616 10.855 1.00 0.00 H new ATOM 0 HA ASN B 12 22.804 -27.713 9.739 1.00 0.00 H new ATOM 0 HB2 ASN B 12 22.920 -28.859 12.231 1.00 0.00 H new ATOM 0 HB3 ASN B 12 22.869 -27.178 12.722 1.00 0.00 H new ATOM 0 HD21 ASN B 12 19.601 -26.824 10.765 1.00 0.00 H new ATOM 0 HD22 ASN B 12 21.211 -26.123 10.576 1.00 0.00 H new ATOM 972 N VAL B 13 24.678 -25.532 9.979 1.00 0.00 N ATOM 973 CA VAL B 13 24.971 -24.072 9.918 1.00 0.00 C ATOM 974 C VAL B 13 24.141 -23.411 8.797 1.00 0.00 C ATOM 975 O VAL B 13 23.509 -22.399 9.024 1.00 0.00 O ATOM 976 CB VAL B 13 26.493 -23.986 9.671 1.00 0.00 C ATOM 977 CG1 VAL B 13 26.863 -22.711 8.898 1.00 0.00 C ATOM 978 CG2 VAL B 13 27.212 -23.970 11.022 1.00 0.00 C ATOM 0 H VAL B 13 25.353 -26.131 9.504 1.00 0.00 H new ATOM 0 HA VAL B 13 24.700 -23.538 10.829 1.00 0.00 H new ATOM 0 HB VAL B 13 26.795 -24.849 9.078 1.00 0.00 H new ATOM 0 HG11 VAL B 13 27.941 -22.681 8.741 1.00 0.00 H new ATOM 0 HG12 VAL B 13 26.355 -22.710 7.933 1.00 0.00 H new ATOM 0 HG13 VAL B 13 26.555 -21.836 9.471 1.00 0.00 H new ATOM 0 HG21 VAL B 13 28.288 -23.909 10.861 1.00 0.00 H new ATOM 0 HG22 VAL B 13 26.882 -23.106 11.599 1.00 0.00 H new ATOM 0 HG23 VAL B 13 26.978 -24.883 11.570 1.00 0.00 H new ATOM 988 N PRO B 14 24.161 -24.002 7.626 1.00 0.00 N ATOM 989 CA PRO B 14 23.393 -23.446 6.494 1.00 0.00 C ATOM 990 C PRO B 14 21.948 -23.936 6.562 1.00 0.00 C ATOM 991 O PRO B 14 21.012 -23.186 6.372 1.00 0.00 O ATOM 992 CB PRO B 14 24.091 -24.023 5.270 1.00 0.00 C ATOM 993 CG PRO B 14 24.743 -25.288 5.740 1.00 0.00 C ATOM 994 CD PRO B 14 24.884 -25.219 7.242 1.00 0.00 C ATOM 0 HA PRO B 14 23.360 -22.357 6.487 1.00 0.00 H new ATOM 0 HB2 PRO B 14 23.378 -24.223 4.470 1.00 0.00 H new ATOM 0 HB3 PRO B 14 24.829 -23.325 4.873 1.00 0.00 H new ATOM 0 HG2 PRO B 14 24.144 -26.153 5.454 1.00 0.00 H new ATOM 0 HG3 PRO B 14 25.720 -25.408 5.272 1.00 0.00 H new ATOM 0 HD2 PRO B 14 24.458 -26.101 7.721 1.00 0.00 H new ATOM 0 HD3 PRO B 14 25.931 -25.169 7.540 1.00 0.00 H new ATOM 1002 N MET B 15 21.766 -25.200 6.827 1.00 0.00 N ATOM 1003 CA MET B 15 20.390 -25.757 6.905 1.00 0.00 C ATOM 1004 C MET B 15 19.543 -24.951 7.893 1.00 0.00 C ATOM 1005 O MET B 15 19.938 -24.715 9.017 1.00 0.00 O ATOM 1006 CB MET B 15 20.571 -27.193 7.399 1.00 0.00 C ATOM 1007 CG MET B 15 19.343 -28.023 7.018 1.00 0.00 C ATOM 1008 SD MET B 15 19.484 -29.676 7.740 1.00 0.00 S ATOM 1009 CE MET B 15 19.909 -30.554 6.215 1.00 0.00 C ATOM 0 H MET B 15 22.515 -25.872 6.993 1.00 0.00 H new ATOM 0 HA MET B 15 19.876 -25.717 5.945 1.00 0.00 H new ATOM 0 HB2 MET B 15 21.468 -27.629 6.960 1.00 0.00 H new ATOM 0 HB3 MET B 15 20.708 -27.202 8.480 1.00 0.00 H new ATOM 0 HG2 MET B 15 18.436 -27.535 7.375 1.00 0.00 H new ATOM 0 HG3 MET B 15 19.261 -28.094 5.933 1.00 0.00 H new ATOM 0 HE1 MET B 15 20.045 -31.614 6.431 1.00 0.00 H new ATOM 0 HE2 MET B 15 19.105 -30.432 5.489 1.00 0.00 H new ATOM 0 HE3 MET B 15 20.833 -30.146 5.806 1.00 0.00 H new ATOM 1019 N ASP B 16 18.377 -24.529 7.483 1.00 0.00 N ATOM 1020 CA ASP B 16 17.504 -23.740 8.399 1.00 0.00 C ATOM 1021 C ASP B 16 18.278 -22.556 8.985 1.00 0.00 C ATOM 1022 O ASP B 16 18.356 -22.387 10.186 1.00 0.00 O ATOM 1023 CB ASP B 16 17.106 -24.719 9.504 1.00 0.00 C ATOM 1024 CG ASP B 16 15.698 -24.384 10.001 1.00 0.00 C ATOM 1025 OD1 ASP B 16 15.582 -23.521 10.854 1.00 0.00 O ATOM 1026 OD2 ASP B 16 14.759 -24.997 9.519 1.00 0.00 O ATOM 0 H ASP B 16 17.992 -24.697 6.554 1.00 0.00 H new ATOM 0 HA ASP B 16 16.636 -23.326 7.886 1.00 0.00 H new ATOM 0 HB2 ASP B 16 17.136 -25.741 9.127 1.00 0.00 H new ATOM 0 HB3 ASP B 16 17.817 -24.662 10.328 1.00 0.00 H new ATOM 1031 N MET B 17 18.848 -21.734 8.148 1.00 0.00 N ATOM 1032 CA MET B 17 19.614 -20.561 8.660 1.00 0.00 C ATOM 1033 C MET B 17 18.727 -19.708 9.571 1.00 0.00 C ATOM 1034 O MET B 17 19.185 -19.130 10.535 1.00 0.00 O ATOM 1035 CB MET B 17 20.016 -19.775 7.413 1.00 0.00 C ATOM 1036 CG MET B 17 18.760 -19.330 6.662 1.00 0.00 C ATOM 1037 SD MET B 17 19.235 -18.520 5.116 1.00 0.00 S ATOM 1038 CE MET B 17 18.157 -17.075 5.275 1.00 0.00 C ATOM 0 H MET B 17 18.817 -21.823 7.132 1.00 0.00 H new ATOM 0 HA MET B 17 20.481 -20.859 9.250 1.00 0.00 H new ATOM 0 HB2 MET B 17 20.611 -18.906 7.694 1.00 0.00 H new ATOM 0 HB3 MET B 17 20.639 -20.393 6.766 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.124 -20.191 6.453 1.00 0.00 H new ATOM 0 HG3 MET B 17 18.178 -18.646 7.279 1.00 0.00 H new ATOM 0 HE1 MET B 17 18.290 -16.425 4.410 1.00 0.00 H new ATOM 0 HE2 MET B 17 17.118 -17.400 5.328 1.00 0.00 H new ATOM 0 HE3 MET B 17 18.413 -16.528 6.183 1.00 0.00 H new ATOM 1048 N SER B 18 17.459 -19.627 9.271 1.00 0.00 N ATOM 1049 CA SER B 18 16.542 -18.813 10.121 1.00 0.00 C ATOM 1050 C SER B 18 16.035 -19.648 11.302 1.00 0.00 C ATOM 1051 O SER B 18 16.211 -20.850 11.327 1.00 0.00 O ATOM 1052 CB SER B 18 15.387 -18.429 9.199 1.00 0.00 C ATOM 1053 OG SER B 18 15.906 -18.013 7.942 1.00 0.00 O ATOM 0 H SER B 18 17.018 -20.088 8.475 1.00 0.00 H new ATOM 0 HA SER B 18 17.036 -17.937 10.542 1.00 0.00 H new ATOM 0 HB2 SER B 18 14.716 -19.278 9.065 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.801 -17.627 9.647 1.00 0.00 H new ATOM 0 HG SER B 18 15.166 -17.768 7.348 1.00 0.00 H new ATOM 1059 N PRO B 19 15.420 -18.983 12.252 1.00 0.00 N ATOM 1060 CA PRO B 19 14.888 -19.676 13.444 1.00 0.00 C ATOM 1061 C PRO B 19 13.477 -20.229 13.197 1.00 0.00 C ATOM 1062 O PRO B 19 12.752 -20.528 14.123 1.00 0.00 O ATOM 1063 CB PRO B 19 14.868 -18.582 14.504 1.00 0.00 C ATOM 1064 CG PRO B 19 14.781 -17.285 13.751 1.00 0.00 C ATOM 1065 CD PRO B 19 15.171 -17.540 12.313 1.00 0.00 C ATOM 0 HA PRO B 19 15.487 -20.541 13.728 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.017 -18.703 15.175 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.767 -18.617 15.120 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.769 -16.883 13.804 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.443 -16.542 14.197 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.376 -17.245 11.628 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.059 -16.972 12.036 1.00 0.00 H new ATOM 1073 N LYS B 20 13.092 -20.388 11.955 1.00 0.00 N ATOM 1074 CA LYS B 20 11.735 -20.942 11.631 1.00 0.00 C ATOM 1075 C LYS B 20 10.617 -20.007 12.110 1.00 0.00 C ATOM 1076 O LYS B 20 9.899 -19.433 11.315 1.00 0.00 O ATOM 1077 CB LYS B 20 11.656 -22.291 12.353 1.00 0.00 C ATOM 1078 CG LYS B 20 10.558 -23.147 11.718 1.00 0.00 C ATOM 1079 CD LYS B 20 9.192 -22.689 12.232 1.00 0.00 C ATOM 1080 CE LYS B 20 8.216 -23.868 12.209 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.929 -23.311 12.710 1.00 0.00 N ATOM 0 H LYS B 20 13.663 -20.156 11.142 1.00 0.00 H new ATOM 0 HA LYS B 20 11.602 -21.048 10.554 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.615 -22.806 12.290 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.445 -22.137 13.411 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.597 -23.061 10.632 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.716 -24.198 11.960 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.285 -22.300 13.246 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.812 -21.877 11.612 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.107 -24.271 11.202 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.567 -24.683 12.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 6.208 -24.061 12.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 7.062 -22.941 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.617 -22.542 12.084 1.00 0.00 H new ATOM 1095 N ALA B 21 10.451 -19.860 13.400 1.00 0.00 N ATOM 1096 CA ALA B 21 9.367 -18.973 13.929 1.00 0.00 C ATOM 1097 C ALA B 21 9.348 -17.630 13.190 1.00 0.00 C ATOM 1098 O ALA B 21 8.313 -17.157 12.768 1.00 0.00 O ATOM 1099 CB ALA B 21 9.716 -18.765 15.404 1.00 0.00 C ATOM 0 H ALA B 21 11.020 -20.317 14.113 1.00 0.00 H new ATOM 0 HA ALA B 21 8.379 -19.414 13.794 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.967 -18.123 15.868 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.733 -19.729 15.913 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.696 -18.295 15.483 1.00 0.00 H new ATOM 1105 N LEU B 22 10.488 -17.020 13.025 1.00 0.00 N ATOM 1106 CA LEU B 22 10.538 -15.715 12.305 1.00 0.00 C ATOM 1107 C LEU B 22 10.508 -15.966 10.802 1.00 0.00 C ATOM 1108 O LEU B 22 9.847 -15.276 10.052 1.00 0.00 O ATOM 1109 CB LEU B 22 11.869 -15.083 12.712 1.00 0.00 C ATOM 1110 CG LEU B 22 11.753 -14.504 14.121 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.625 -15.645 15.130 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.003 -13.680 14.438 1.00 0.00 C ATOM 0 H LEU B 22 11.388 -17.368 13.357 1.00 0.00 H new ATOM 0 HA LEU B 22 9.695 -15.069 12.550 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.663 -15.830 12.679 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.141 -14.298 12.007 1.00 0.00 H new ATOM 0 HG LEU B 22 10.872 -13.865 14.181 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.542 -15.234 16.136 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.735 -16.233 14.904 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.506 -16.284 15.071 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.921 -13.267 15.443 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.884 -14.319 14.379 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.095 -12.867 13.718 1.00 0.00 H new ATOM 1124 N GLN B 23 11.226 -16.959 10.363 1.00 0.00 N ATOM 1125 CA GLN B 23 11.255 -17.279 8.905 1.00 0.00 C ATOM 1126 C GLN B 23 9.828 -17.413 8.362 1.00 0.00 C ATOM 1127 O GLN B 23 9.499 -16.887 7.318 1.00 0.00 O ATOM 1128 CB GLN B 23 11.991 -18.615 8.808 1.00 0.00 C ATOM 1129 CG GLN B 23 12.180 -18.989 7.336 1.00 0.00 C ATOM 1130 CD GLN B 23 12.022 -20.501 7.170 1.00 0.00 C ATOM 1131 OE1 GLN B 23 11.719 -21.200 8.117 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.214 -21.040 5.997 1.00 0.00 N ATOM 0 H GLN B 23 11.797 -17.567 10.951 1.00 0.00 H new ATOM 0 HA GLN B 23 11.744 -16.499 8.322 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.959 -18.545 9.304 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.425 -19.392 9.322 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.448 -18.466 6.720 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.166 -18.676 6.994 1.00 0.00 H new ATOM 0 HE21 GLN B 23 12.468 -20.454 5.202 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.110 -22.047 5.875 1.00 0.00 H new ATOM 1141 N GLN B 24 8.980 -18.113 9.063 1.00 0.00 N ATOM 1142 CA GLN B 24 7.577 -18.280 8.588 1.00 0.00 C ATOM 1143 C GLN B 24 6.793 -16.980 8.788 1.00 0.00 C ATOM 1144 O GLN B 24 6.106 -16.515 7.900 1.00 0.00 O ATOM 1145 CB GLN B 24 6.994 -19.396 9.455 1.00 0.00 C ATOM 1146 CG GLN B 24 5.559 -19.690 9.013 1.00 0.00 C ATOM 1147 CD GLN B 24 5.577 -20.680 7.847 1.00 0.00 C ATOM 1148 OE1 GLN B 24 6.199 -21.720 7.926 1.00 0.00 O ATOM 1149 NE2 GLN B 24 4.914 -20.399 6.758 1.00 0.00 N ATOM 0 H GLN B 24 9.198 -18.577 9.945 1.00 0.00 H new ATOM 0 HA GLN B 24 7.527 -18.521 7.526 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.604 -20.295 9.367 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.009 -19.101 10.504 1.00 0.00 H new ATOM 0 HG2 GLN B 24 4.988 -20.102 9.845 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.063 -18.767 8.713 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.391 -19.526 6.690 1.00 0.00 H new ATOM 0 HE22 GLN B 24 4.919 -21.053 5.975 1.00 0.00 H new ATOM 1158 N LYS B 25 6.893 -16.389 9.947 1.00 0.00 N ATOM 1159 CA LYS B 25 6.154 -15.119 10.202 1.00 0.00 C ATOM 1160 C LYS B 25 6.565 -14.054 9.183 1.00 0.00 C ATOM 1161 O LYS B 25 5.737 -13.353 8.636 1.00 0.00 O ATOM 1162 CB LYS B 25 6.564 -14.699 11.613 1.00 0.00 C ATOM 1163 CG LYS B 25 5.370 -14.844 12.558 1.00 0.00 C ATOM 1164 CD LYS B 25 5.484 -16.161 13.328 1.00 0.00 C ATOM 1165 CE LYS B 25 4.197 -16.405 14.119 1.00 0.00 C ATOM 1166 NZ LYS B 25 4.195 -17.866 14.408 1.00 0.00 N ATOM 0 H LYS B 25 7.454 -16.730 10.728 1.00 0.00 H new ATOM 0 HA LYS B 25 5.075 -15.244 10.112 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.393 -15.316 11.961 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.914 -13.667 11.609 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.340 -14.005 13.254 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.439 -14.822 11.991 1.00 0.00 H new ATOM 0 HD2 LYS B 25 5.659 -16.985 12.636 1.00 0.00 H new ATOM 0 HD3 LYS B 25 6.338 -16.126 14.005 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.182 -15.820 15.039 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.318 -16.115 13.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 3.341 -18.112 14.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.203 -18.397 13.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 5.039 -18.111 14.963 1.00 0.00 H new ATOM 1180 N ILE B 26 7.837 -13.928 8.922 1.00 0.00 N ATOM 1181 CA ILE B 26 8.300 -12.908 7.939 1.00 0.00 C ATOM 1182 C ILE B 26 7.754 -13.232 6.545 1.00 0.00 C ATOM 1183 O ILE B 26 7.125 -12.413 5.907 1.00 0.00 O ATOM 1184 CB ILE B 26 9.826 -13.007 7.954 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.346 -12.616 9.338 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.408 -12.059 6.905 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.790 -13.095 9.495 1.00 0.00 C ATOM 0 H ILE B 26 8.576 -14.488 9.347 1.00 0.00 H new ATOM 0 HA ILE B 26 7.955 -11.905 8.190 1.00 0.00 H new ATOM 0 HB ILE B 26 10.127 -14.030 7.727 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.295 -11.535 9.465 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.719 -13.058 10.112 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.496 -12.129 6.915 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.036 -12.335 5.918 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.108 -11.036 7.133 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.161 -12.816 10.481 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.828 -14.179 9.386 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.412 -12.632 8.729 1.00 0.00 H new ATOM 1199 N HIS B 27 7.991 -14.425 6.069 1.00 0.00 N ATOM 1200 CA HIS B 27 7.486 -14.801 4.716 1.00 0.00 C ATOM 1201 C HIS B 27 5.961 -14.680 4.669 1.00 0.00 C ATOM 1202 O HIS B 27 5.376 -14.487 3.621 1.00 0.00 O ATOM 1203 CB HIS B 27 7.915 -16.256 4.524 1.00 0.00 C ATOM 1204 CG HIS B 27 8.269 -16.488 3.082 1.00 0.00 C ATOM 1205 ND1 HIS B 27 7.894 -17.637 2.404 1.00 0.00 N ATOM 1206 CD2 HIS B 27 8.964 -15.728 2.174 1.00 0.00 C ATOM 1207 CE1 HIS B 27 8.360 -17.538 1.146 1.00 0.00 C ATOM 1208 NE2 HIS B 27 9.021 -16.394 0.952 1.00 0.00 N ATOM 0 H HIS B 27 8.511 -15.154 6.557 1.00 0.00 H new ATOM 0 HA HIS B 27 7.880 -14.153 3.933 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.771 -16.481 5.160 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.110 -16.926 4.824 1.00 0.00 H new ATOM 0 HD2 HIS B 27 9.400 -14.761 2.376 1.00 0.00 H new ATOM 0 HE1 HIS B 27 8.217 -18.292 0.386 1.00 0.00 H new ATOM 0 HE2 HIS B 27 9.471 -16.076 0.094 1.00 0.00 H new ATOM 1216 N GLU B 28 5.312 -14.792 5.795 1.00 0.00 N ATOM 1217 CA GLU B 28 3.824 -14.683 5.813 1.00 0.00 C ATOM 1218 C GLU B 28 3.400 -13.212 5.772 1.00 0.00 C ATOM 1219 O GLU B 28 2.572 -12.818 4.975 1.00 0.00 O ATOM 1220 CB GLU B 28 3.396 -15.328 7.132 1.00 0.00 C ATOM 1221 CG GLU B 28 3.377 -16.850 6.973 1.00 0.00 C ATOM 1222 CD GLU B 28 2.116 -17.269 6.215 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.098 -16.622 6.396 1.00 0.00 O ATOM 1224 OE2 GLU B 28 2.191 -18.230 5.468 1.00 0.00 O ATOM 0 H GLU B 28 5.746 -14.954 6.704 1.00 0.00 H new ATOM 0 HA GLU B 28 3.364 -15.169 4.953 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.084 -15.043 7.928 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.408 -14.969 7.421 1.00 0.00 H new ATOM 0 HG2 GLU B 28 4.265 -17.181 6.434 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.401 -17.329 7.952 1.00 0.00 H new ATOM 1231 N LEU B 29 3.961 -12.399 6.625 1.00 0.00 N ATOM 1232 CA LEU B 29 3.588 -10.955 6.634 1.00 0.00 C ATOM 1233 C LEU B 29 3.976 -10.299 5.307 1.00 0.00 C ATOM 1234 O LEU B 29 3.297 -9.419 4.816 1.00 0.00 O ATOM 1235 CB LEU B 29 4.389 -10.347 7.787 1.00 0.00 C ATOM 1236 CG LEU B 29 3.474 -10.153 8.997 1.00 0.00 C ATOM 1237 CD1 LEU B 29 3.006 -11.516 9.508 1.00 0.00 C ATOM 1238 CD2 LEU B 29 4.244 -9.431 10.106 1.00 0.00 C ATOM 0 H LEU B 29 4.661 -12.671 7.315 1.00 0.00 H new ATOM 0 HA LEU B 29 2.515 -10.807 6.759 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.222 -10.999 8.049 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.816 -9.391 7.483 1.00 0.00 H new ATOM 0 HG LEU B 29 2.608 -9.558 8.706 1.00 0.00 H new ATOM 0 HD11 LEU B 29 2.354 -11.377 10.370 1.00 0.00 H new ATOM 0 HD12 LEU B 29 2.459 -12.032 8.719 1.00 0.00 H new ATOM 0 HD13 LEU B 29 3.871 -12.112 9.799 1.00 0.00 H new ATOM 0 HD21 LEU B 29 3.593 -9.292 10.969 1.00 0.00 H new ATOM 0 HD22 LEU B 29 5.109 -10.027 10.396 1.00 0.00 H new ATOM 0 HD23 LEU B 29 4.578 -8.459 9.743 1.00 0.00 H new ATOM 1250 N GLU B 30 5.063 -10.721 4.722 1.00 0.00 N ATOM 1251 CA GLU B 30 5.494 -10.120 3.426 1.00 0.00 C ATOM 1252 C GLU B 30 4.404 -10.308 2.368 1.00 0.00 C ATOM 1253 O GLU B 30 4.130 -9.422 1.581 1.00 0.00 O ATOM 1254 CB GLU B 30 6.759 -10.886 3.036 1.00 0.00 C ATOM 1255 CG GLU B 30 7.343 -10.287 1.754 1.00 0.00 C ATOM 1256 CD GLU B 30 7.712 -11.413 0.787 1.00 0.00 C ATOM 1257 OE1 GLU B 30 6.846 -12.219 0.489 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.855 -11.450 0.361 1.00 0.00 O ATOM 0 H GLU B 30 5.672 -11.455 5.084 1.00 0.00 H new ATOM 0 HA GLU B 30 5.676 -9.048 3.507 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.492 -10.833 3.841 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.527 -11.940 2.885 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.619 -9.618 1.290 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.225 -9.690 1.988 1.00 0.00 H new ATOM 1265 N GLY B 31 3.780 -11.453 2.341 1.00 0.00 N ATOM 1266 CA GLY B 31 2.709 -11.695 1.333 1.00 0.00 C ATOM 1267 C GLY B 31 1.425 -10.988 1.770 1.00 0.00 C ATOM 1268 O GLY B 31 0.628 -10.566 0.954 1.00 0.00 O ATOM 0 H GLY B 31 3.965 -12.232 2.973 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.025 -11.327 0.357 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.529 -12.765 1.228 1.00 0.00 H new ATOM 1272 N LEU B 32 1.218 -10.852 3.051 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.016 -10.171 3.539 1.00 0.00 C ATOM 1274 C LEU B 32 -0.013 -8.700 3.114 1.00 0.00 C ATOM 1275 O LEU B 32 -1.050 -8.098 2.922 1.00 0.00 O ATOM 1276 CB LEU B 32 0.043 -10.290 5.062 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.316 -9.920 5.657 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.236 -11.141 5.628 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.129 -9.458 7.104 1.00 0.00 C ATOM 0 H LEU B 32 1.849 -11.183 3.781 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.923 -10.616 3.130 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.312 -11.307 5.347 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.817 -9.632 5.459 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.762 -9.116 5.072 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.205 -10.877 6.052 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.369 -11.472 4.598 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.791 -11.946 6.213 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.097 -9.194 7.530 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.683 -10.263 7.688 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.473 -8.588 7.126 1.00 0.00 H new ATOM 1291 N MET B 33 1.145 -8.118 2.968 1.00 0.00 N ATOM 1292 CA MET B 33 1.213 -6.685 2.557 1.00 0.00 C ATOM 1293 C MET B 33 0.588 -6.500 1.171 1.00 0.00 C ATOM 1294 O MET B 33 -0.368 -5.769 1.004 1.00 0.00 O ATOM 1295 CB MET B 33 2.706 -6.353 2.520 1.00 0.00 C ATOM 1296 CG MET B 33 2.999 -5.221 3.505 1.00 0.00 C ATOM 1297 SD MET B 33 4.652 -5.445 4.208 1.00 0.00 S ATOM 1298 CE MET B 33 5.570 -5.403 2.649 1.00 0.00 C ATOM 0 H MET B 33 2.047 -8.571 3.115 1.00 0.00 H new ATOM 0 HA MET B 33 0.667 -6.034 3.240 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.292 -7.235 2.778 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.999 -6.058 1.512 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.935 -4.258 2.998 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.252 -5.213 4.299 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.634 -5.293 2.856 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.401 -6.330 2.102 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.229 -4.560 2.048 1.00 0.00 H new ATOM 1308 N MET B 34 1.124 -7.152 0.177 1.00 0.00 N ATOM 1309 CA MET B 34 0.564 -7.009 -1.199 1.00 0.00 C ATOM 1310 C MET B 34 -0.912 -7.416 -1.220 1.00 0.00 C ATOM 1311 O MET B 34 -1.697 -6.898 -1.990 1.00 0.00 O ATOM 1312 CB MET B 34 1.393 -7.959 -2.063 1.00 0.00 C ATOM 1313 CG MET B 34 2.877 -7.611 -1.928 1.00 0.00 C ATOM 1314 SD MET B 34 3.717 -7.932 -3.499 1.00 0.00 S ATOM 1315 CE MET B 34 3.703 -6.232 -4.115 1.00 0.00 C ATOM 0 H MET B 34 1.925 -7.778 0.256 1.00 0.00 H new ATOM 0 HA MET B 34 0.612 -5.981 -1.558 1.00 0.00 H new ATOM 0 HB2 MET B 34 1.221 -8.990 -1.755 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.084 -7.882 -3.106 1.00 0.00 H new ATOM 0 HG2 MET B 34 2.992 -6.564 -1.649 1.00 0.00 H new ATOM 0 HG3 MET B 34 3.330 -8.204 -1.133 1.00 0.00 H new ATOM 0 HE1 MET B 34 4.360 -6.153 -4.981 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.688 -5.958 -4.403 1.00 0.00 H new ATOM 0 HE3 MET B 34 4.052 -5.559 -3.332 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.295 -8.341 -0.384 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.721 -8.781 -0.362 1.00 0.00 C ATOM 1327 C GLN B 35 -3.650 -7.576 -0.177 1.00 0.00 C ATOM 1328 O GLN B 35 -4.283 -7.122 -1.109 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.821 -9.732 0.834 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.272 -10.183 1.013 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.421 -11.628 0.533 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.499 -11.881 -0.653 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -4.464 -12.593 1.411 1.00 0.00 N ATOM 0 H GLN B 35 -0.685 -8.811 0.284 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.019 -9.264 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.177 -10.598 0.678 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.471 -9.234 1.738 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.561 -10.105 2.061 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.939 -9.531 0.449 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.398 -12.380 2.406 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -4.563 -13.560 1.102 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.739 -7.056 1.016 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.630 -5.884 1.256 1.00 0.00 C ATOM 1344 C HIS B 36 -4.257 -4.729 0.319 1.00 0.00 C ATOM 1345 O HIS B 36 -5.104 -4.149 -0.331 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.392 -5.503 2.716 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.148 -6.448 3.609 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -4.567 -7.036 4.721 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.437 -6.919 3.566 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.497 -7.821 5.296 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -6.654 -7.786 4.632 1.00 0.00 N ATOM 0 H HIS B 36 -3.233 -7.392 1.836 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.678 -6.112 1.063 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.327 -5.543 2.945 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.718 -4.478 2.894 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -7.171 -6.656 2.818 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -5.327 -8.408 6.187 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -7.513 -8.287 4.858 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.994 -4.394 0.238 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.567 -3.282 -0.666 1.00 0.00 C ATOM 1361 C ALA B 37 -3.175 -3.479 -2.059 1.00 0.00 C ATOM 1362 O ALA B 37 -3.614 -2.541 -2.696 1.00 0.00 O ATOM 1363 CB ALA B 37 -1.043 -3.389 -0.729 1.00 0.00 C ATOM 0 H ALA B 37 -2.240 -4.842 0.759 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.893 -2.305 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.650 -2.605 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.629 -3.275 0.273 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.763 -4.363 -1.129 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.215 -4.699 -2.530 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.809 -4.961 -3.872 1.00 0.00 C ATOM 1371 C GLN B 38 -5.295 -4.604 -3.848 1.00 0.00 C ATOM 1372 O GLN B 38 -5.851 -4.135 -4.821 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.616 -6.458 -4.111 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.332 -6.687 -4.911 1.00 0.00 C ATOM 1375 CD GLN B 38 -2.042 -8.186 -4.996 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -1.269 -8.714 -4.222 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -2.635 -8.902 -5.913 1.00 0.00 N ATOM 0 H GLN B 38 -2.862 -5.523 -2.043 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.344 -4.369 -4.661 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.562 -6.985 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.471 -6.864 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.436 -6.269 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.498 -6.171 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.284 -8.461 -6.564 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -2.449 -9.903 -5.978 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.937 -4.806 -2.728 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.382 -4.461 -2.622 1.00 0.00 C ATOM 1388 C ASN B 39 -7.535 -3.026 -2.105 1.00 0.00 C ATOM 1389 O ASN B 39 -8.585 -2.630 -1.640 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.957 -5.461 -1.615 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.678 -6.887 -2.095 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -7.497 -7.118 -3.274 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.637 -7.858 -1.225 1.00 0.00 N ATOM 0 H ASN B 39 -5.521 -5.196 -1.882 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.896 -4.514 -3.582 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.510 -5.302 -0.633 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.030 -5.306 -1.505 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.453 -8.812 -1.534 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.789 -7.663 -0.235 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.487 -2.247 -2.185 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.549 -0.837 -1.709 1.00 0.00 C ATOM 1402 C LEU B 40 -6.995 -0.773 -0.247 1.00 0.00 C ATOM 1403 O LEU B 40 -7.503 0.231 0.211 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.566 -0.147 -2.619 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.879 0.277 -3.918 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.879 -0.895 -4.901 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.637 1.456 -4.532 1.00 0.00 C ATOM 0 H LEU B 40 -5.584 -2.532 -2.564 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.573 -0.353 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.394 -0.822 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.988 0.723 -2.117 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.852 0.574 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.389 -0.593 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.341 -1.736 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.906 -1.192 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.149 1.760 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.664 1.158 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.639 2.291 -3.832 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.792 -1.824 0.496 1.00 0.00 N ATOM 1420 CA GLU B 41 -7.187 -1.799 1.932 1.00 0.00 C ATOM 1421 C GLU B 41 -6.272 -0.829 2.680 1.00 0.00 C ATOM 1422 O GLU B 41 -6.714 -0.020 3.472 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.984 -3.231 2.429 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.332 -3.954 2.464 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.105 -3.533 3.715 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.134 -2.347 3.998 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -9.656 -4.404 4.369 1.00 0.00 O ATOM 0 H GLU B 41 -6.372 -2.696 0.174 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.215 -1.470 2.087 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.292 -3.760 1.774 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.538 -3.222 3.423 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.908 -3.715 1.570 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.178 -5.033 2.465 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.998 -0.902 2.412 1.00 0.00 N ATOM 1435 CA PHE B 42 -4.026 0.015 3.074 1.00 0.00 C ATOM 1436 C PHE B 42 -4.240 0.051 4.587 1.00 0.00 C ATOM 1437 O PHE B 42 -5.064 -0.661 5.121 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.297 1.390 2.462 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.490 1.552 1.196 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.119 1.210 1.182 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -4.106 2.047 0.025 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.364 1.366 -0.002 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.350 2.202 -1.159 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.980 1.862 -1.171 1.00 0.00 C ATOM 0 H PHE B 42 -4.584 -1.564 1.756 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.998 -0.312 2.919 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.359 1.499 2.244 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -4.036 2.173 3.174 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.648 0.829 2.076 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -5.154 2.307 0.035 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -0.316 1.106 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.820 2.581 -2.054 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.403 1.982 -2.076 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.465 0.866 5.263 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.533 0.992 6.752 1.00 0.00 C ATOM 1456 C GLU B 43 -3.087 -0.319 7.382 1.00 0.00 C ATOM 1457 O GLU B 43 -2.083 -0.393 8.061 1.00 0.00 O ATOM 1458 CB GLU B 43 -4.991 1.310 7.103 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.137 1.359 8.623 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.620 1.363 8.996 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.380 2.033 8.315 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -6.972 0.697 9.955 1.00 0.00 O ATOM 0 H GLU B 43 -2.766 1.468 4.828 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.880 1.780 7.128 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.284 2.264 6.666 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.653 0.551 6.685 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.641 0.500 9.074 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.650 2.251 9.017 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.818 -1.352 7.134 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.451 -2.686 7.679 1.00 0.00 C ATOM 1471 C GLU B 44 -2.401 -3.342 6.777 1.00 0.00 C ATOM 1472 O GLU B 44 -1.575 -4.113 7.225 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.753 -3.493 7.683 1.00 0.00 C ATOM 1474 CG GLU B 44 -5.238 -3.713 6.245 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.430 -4.670 6.251 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.293 -5.753 6.796 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.461 -4.305 5.709 1.00 0.00 O ATOM 0 H GLU B 44 -4.668 -1.337 6.570 1.00 0.00 H new ATOM 0 HA GLU B 44 -3.020 -2.625 8.678 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.594 -4.454 8.173 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.516 -2.966 8.256 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.524 -2.762 5.797 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.432 -4.123 5.636 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.436 -3.047 5.502 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.453 -3.661 4.562 1.00 0.00 C ATOM 1486 C ALA B 45 -0.111 -2.925 4.609 1.00 0.00 C ATOM 1487 O ALA B 45 0.939 -3.534 4.666 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.087 -3.509 3.181 1.00 0.00 C ATOM 0 H ALA B 45 -3.104 -2.407 5.072 1.00 0.00 H new ATOM 0 HA ALA B 45 -1.246 -4.700 4.817 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.425 -3.937 2.428 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.044 -4.030 3.161 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.244 -2.452 2.967 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.135 -1.622 4.565 1.00 0.00 N ATOM 1495 CA ALA B 46 1.143 -0.855 4.583 1.00 0.00 C ATOM 1496 C ALA B 46 1.755 -0.844 5.986 1.00 0.00 C ATOM 1497 O ALA B 46 2.932 -0.596 6.152 1.00 0.00 O ATOM 1498 CB ALA B 46 0.761 0.556 4.140 1.00 0.00 C ATOM 0 H ALA B 46 -0.982 -1.056 4.517 1.00 0.00 H new ATOM 0 HA ALA B 46 1.895 -1.298 3.930 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.650 1.186 4.127 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.328 0.519 3.141 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.032 0.971 4.836 1.00 0.00 H new ATOM 1504 N GLN B 47 0.978 -1.112 6.998 1.00 0.00 N ATOM 1505 CA GLN B 47 1.542 -1.115 8.379 1.00 0.00 C ATOM 1506 C GLN B 47 2.436 -2.341 8.578 1.00 0.00 C ATOM 1507 O GLN B 47 3.469 -2.272 9.213 1.00 0.00 O ATOM 1508 CB GLN B 47 0.336 -1.177 9.312 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.078 0.242 9.706 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.330 0.183 10.584 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -1.438 -0.662 11.451 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -2.284 1.052 10.397 1.00 0.00 N ATOM 0 H GLN B 47 -0.017 -1.328 6.931 1.00 0.00 H new ATOM 0 HA GLN B 47 2.155 -0.234 8.572 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.493 -1.685 8.819 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.581 -1.756 10.202 1.00 0.00 H new ATOM 0 HG2 GLN B 47 0.733 0.733 10.244 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -0.274 0.836 8.813 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -2.193 1.761 9.669 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -3.122 1.023 10.978 1.00 0.00 H new ATOM 1521 N ILE B 48 2.049 -3.468 8.035 1.00 0.00 N ATOM 1522 CA ILE B 48 2.882 -4.698 8.190 1.00 0.00 C ATOM 1523 C ILE B 48 4.335 -4.392 7.818 1.00 0.00 C ATOM 1524 O ILE B 48 5.259 -4.997 8.325 1.00 0.00 O ATOM 1525 CB ILE B 48 2.274 -5.713 7.220 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.865 -6.082 7.688 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.142 -6.974 7.180 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.936 -6.712 9.081 1.00 0.00 C ATOM 0 H ILE B 48 1.194 -3.589 7.492 1.00 0.00 H new ATOM 0 HA ILE B 48 2.888 -5.074 9.213 1.00 0.00 H new ATOM 0 HB ILE B 48 2.227 -5.275 6.223 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.234 -5.193 7.711 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.408 -6.779 6.985 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.706 -7.694 6.488 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.147 -6.714 6.847 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.192 -7.413 8.177 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.068 -6.974 9.413 1.00 0.00 H new ATOM 0 HD12 ILE B 48 1.552 -7.610 9.043 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.375 -6.000 9.780 1.00 0.00 H new ATOM 1540 N ARG B 49 4.540 -3.443 6.946 1.00 0.00 N ATOM 1541 CA ARG B 49 5.928 -3.078 6.550 1.00 0.00 C ATOM 1542 C ARG B 49 6.744 -2.749 7.807 1.00 0.00 C ATOM 1543 O ARG B 49 7.953 -2.861 7.823 1.00 0.00 O ATOM 1544 CB ARG B 49 5.755 -1.849 5.644 1.00 0.00 C ATOM 1545 CG ARG B 49 7.083 -1.101 5.477 1.00 0.00 C ATOM 1546 CD ARG B 49 6.951 0.306 6.069 1.00 0.00 C ATOM 1547 NE ARG B 49 6.515 0.099 7.480 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.291 0.471 8.460 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.549 0.123 8.464 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.811 1.190 9.437 1.00 0.00 N ATOM 0 H ARG B 49 3.804 -2.904 6.490 1.00 0.00 H new ATOM 0 HA ARG B 49 6.461 -3.877 6.035 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.384 -2.161 4.668 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.007 -1.180 6.070 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.885 -1.644 5.977 1.00 0.00 H new ATOM 0 HG3 ARG B 49 7.349 -1.040 4.422 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.899 0.842 6.025 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.223 0.899 5.515 1.00 0.00 H new ATOM 0 HE ARG B 49 5.612 -0.332 7.678 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.925 -0.440 7.701 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.156 0.414 9.230 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.828 1.462 9.435 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.419 1.480 10.203 1.00 0.00 H new ATOM 1564 N ASP B 50 6.085 -2.352 8.862 1.00 0.00 N ATOM 1565 CA ASP B 50 6.817 -2.026 10.119 1.00 0.00 C ATOM 1566 C ASP B 50 7.194 -3.318 10.849 1.00 0.00 C ATOM 1567 O ASP B 50 8.222 -3.403 11.490 1.00 0.00 O ATOM 1568 CB ASP B 50 5.830 -1.205 10.952 1.00 0.00 C ATOM 1569 CG ASP B 50 6.581 -0.499 12.082 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.555 0.174 11.790 1.00 0.00 O ATOM 1571 OD2 ASP B 50 6.168 -0.644 13.221 1.00 0.00 O ATOM 0 H ASP B 50 5.072 -2.239 8.908 1.00 0.00 H new ATOM 0 HA ASP B 50 7.742 -1.479 9.934 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.327 -0.472 10.321 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.057 -1.854 11.364 1.00 0.00 H new ATOM 1576 N GLN B 51 6.370 -4.326 10.750 1.00 0.00 N ATOM 1577 CA GLN B 51 6.682 -5.613 11.431 1.00 0.00 C ATOM 1578 C GLN B 51 7.723 -6.393 10.624 1.00 0.00 C ATOM 1579 O GLN B 51 8.635 -6.980 11.169 1.00 0.00 O ATOM 1580 CB GLN B 51 5.355 -6.373 11.474 1.00 0.00 C ATOM 1581 CG GLN B 51 4.293 -5.510 12.158 1.00 0.00 C ATOM 1582 CD GLN B 51 2.988 -6.301 12.270 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.928 -5.793 11.961 1.00 0.00 O ATOM 1584 NE2 GLN B 51 3.020 -7.532 12.702 1.00 0.00 N ATOM 0 H GLN B 51 5.495 -4.313 10.227 1.00 0.00 H new ATOM 0 HA GLN B 51 7.096 -5.465 12.428 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.036 -6.627 10.463 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.479 -7.312 12.014 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.635 -5.210 13.149 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.129 -4.596 11.587 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.910 -7.959 12.961 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.156 -8.068 12.780 1.00 0.00 H new ATOM 1593 N LEU B 52 7.593 -6.396 9.324 1.00 0.00 N ATOM 1594 CA LEU B 52 8.576 -7.133 8.478 1.00 0.00 C ATOM 1595 C LEU B 52 9.971 -6.524 8.644 1.00 0.00 C ATOM 1596 O LEU B 52 10.960 -7.225 8.723 1.00 0.00 O ATOM 1597 CB LEU B 52 8.078 -6.952 7.044 1.00 0.00 C ATOM 1598 CG LEU B 52 8.098 -8.300 6.322 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.527 -8.842 6.289 1.00 0.00 C ATOM 1600 CD2 LEU B 52 7.196 -9.289 7.064 1.00 0.00 C ATOM 0 H LEU B 52 6.850 -5.921 8.812 1.00 0.00 H new ATOM 0 HA LEU B 52 8.653 -8.185 8.751 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.067 -6.545 7.048 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.708 -6.236 6.517 1.00 0.00 H new ATOM 0 HG LEU B 52 7.736 -8.170 5.302 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.540 -9.803 5.774 1.00 0.00 H new ATOM 0 HD12 LEU B 52 10.171 -8.139 5.761 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.891 -8.972 7.308 1.00 0.00 H new ATOM 0 HD21 LEU B 52 7.210 -10.250 6.550 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.559 -9.418 8.084 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.176 -8.905 7.087 1.00 0.00 H new ATOM 1612 N HIS B 53 10.056 -5.223 8.698 1.00 0.00 N ATOM 1613 CA HIS B 53 11.386 -4.569 8.861 1.00 0.00 C ATOM 1614 C HIS B 53 11.906 -4.778 10.285 1.00 0.00 C ATOM 1615 O HIS B 53 13.069 -5.061 10.496 1.00 0.00 O ATOM 1616 CB HIS B 53 11.132 -3.085 8.595 1.00 0.00 C ATOM 1617 CG HIS B 53 11.452 -2.769 7.161 1.00 0.00 C ATOM 1618 ND1 HIS B 53 10.479 -2.741 6.174 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.633 -2.464 6.529 1.00 0.00 C ATOM 1620 CE1 HIS B 53 11.085 -2.430 5.014 1.00 0.00 C ATOM 1621 NE2 HIS B 53 12.399 -2.251 5.174 1.00 0.00 N ATOM 0 H HIS B 53 9.263 -4.585 8.636 1.00 0.00 H new ATOM 0 HA HIS B 53 12.136 -4.982 8.186 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.092 -2.840 8.809 1.00 0.00 H new ATOM 0 HB3 HIS B 53 11.746 -2.476 9.258 1.00 0.00 H new ATOM 0 HD1 HIS B 53 9.484 -2.923 6.304 1.00 0.00 H new ATOM 0 HD2 HIS B 53 13.597 -2.399 7.011 1.00 0.00 H new ATOM 0 HE1 HIS B 53 10.572 -2.336 4.068 1.00 0.00 H new ATOM 1629 N GLN B 54 11.053 -4.644 11.263 1.00 0.00 N ATOM 1630 CA GLN B 54 11.499 -4.838 12.673 1.00 0.00 C ATOM 1631 C GLN B 54 11.900 -6.296 12.903 1.00 0.00 C ATOM 1632 O GLN B 54 12.843 -6.586 13.612 1.00 0.00 O ATOM 1633 CB GLN B 54 10.282 -4.474 13.526 1.00 0.00 C ATOM 1634 CG GLN B 54 10.330 -2.987 13.877 1.00 0.00 C ATOM 1635 CD GLN B 54 9.500 -2.732 15.136 1.00 0.00 C ATOM 1636 OE1 GLN B 54 8.333 -2.405 15.052 1.00 0.00 O ATOM 1637 NE2 GLN B 54 10.056 -2.869 16.309 1.00 0.00 N ATOM 0 H GLN B 54 10.067 -4.409 11.148 1.00 0.00 H new ATOM 0 HA GLN B 54 12.367 -4.227 12.921 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.364 -4.701 12.984 1.00 0.00 H new ATOM 0 HB3 GLN B 54 10.271 -5.073 14.437 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.361 -2.674 14.039 1.00 0.00 H new ATOM 0 HG3 GLN B 54 9.944 -2.394 13.048 1.00 0.00 H new ATOM 0 HE21 GLN B 54 11.036 -3.144 16.380 1.00 0.00 H new ATOM 0 HE22 GLN B 54 9.511 -2.702 17.155 1.00 0.00 H new ATOM 1646 N LEU B 55 11.192 -7.217 12.309 1.00 0.00 N ATOM 1647 CA LEU B 55 11.535 -8.657 12.494 1.00 0.00 C ATOM 1648 C LEU B 55 12.913 -8.953 11.894 1.00 0.00 C ATOM 1649 O LEU B 55 13.563 -9.915 12.252 1.00 0.00 O ATOM 1650 CB LEU B 55 10.447 -9.423 11.741 1.00 0.00 C ATOM 1651 CG LEU B 55 9.427 -9.974 12.739 1.00 0.00 C ATOM 1652 CD1 LEU B 55 8.140 -9.151 12.661 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.118 -11.433 12.399 1.00 0.00 C ATOM 0 H LEU B 55 10.391 -7.036 11.704 1.00 0.00 H new ATOM 0 HA LEU B 55 11.579 -8.940 13.546 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.953 -8.765 11.026 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.891 -10.239 11.170 1.00 0.00 H new ATOM 0 HG LEU B 55 9.837 -9.913 13.747 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.413 -9.544 13.372 1.00 0.00 H new ATOM 0 HD12 LEU B 55 8.358 -8.111 12.902 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.730 -9.211 11.653 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.391 -11.826 13.110 1.00 0.00 H new ATOM 0 HD22 LEU B 55 8.708 -11.493 11.391 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.034 -12.021 12.454 1.00 0.00 H new ATOM 1665 N ARG B 56 13.363 -8.133 10.984 1.00 0.00 N ATOM 1666 CA ARG B 56 14.699 -8.367 10.364 1.00 0.00 C ATOM 1667 C ARG B 56 15.791 -8.337 11.435 1.00 0.00 C ATOM 1668 O ARG B 56 16.452 -9.324 11.690 1.00 0.00 O ATOM 1669 CB ARG B 56 14.884 -7.215 9.376 1.00 0.00 C ATOM 1670 CG ARG B 56 16.227 -7.368 8.659 1.00 0.00 C ATOM 1671 CD ARG B 56 16.665 -6.012 8.101 1.00 0.00 C ATOM 1672 NE ARG B 56 18.130 -6.148 7.868 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.733 -5.358 7.021 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.922 -5.744 5.790 1.00 0.00 N ATOM 1675 NH2 ARG B 56 19.146 -4.182 7.408 1.00 0.00 N ATOM 0 H ARG B 56 12.864 -7.311 10.643 1.00 0.00 H new ATOM 0 HA ARG B 56 14.763 -9.338 9.874 1.00 0.00 H new ATOM 0 HB2 ARG B 56 14.071 -7.210 8.650 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.847 -6.261 9.902 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.979 -7.749 9.350 1.00 0.00 H new ATOM 0 HG3 ARG B 56 16.139 -8.095 7.851 1.00 0.00 H new ATOM 0 HD2 ARG B 56 16.138 -5.777 7.176 1.00 0.00 H new ATOM 0 HD3 ARG B 56 16.450 -5.207 8.804 1.00 0.00 H new ATOM 0 HE ARG B 56 18.662 -6.858 8.370 1.00 0.00 H new ATOM 0 HH11 ARG B 56 18.599 -6.663 5.488 1.00 0.00 H new ATOM 0 HH12 ARG B 56 19.393 -5.127 5.129 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.998 -3.881 8.371 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.617 -3.564 6.747 1.00 0.00 H new ATOM 1689 N GLU B 57 15.985 -7.210 12.066 1.00 0.00 N ATOM 1690 CA GLU B 57 17.035 -7.119 13.122 1.00 0.00 C ATOM 1691 C GLU B 57 16.813 -8.202 14.181 1.00 0.00 C ATOM 1692 O GLU B 57 17.727 -8.603 14.874 1.00 0.00 O ATOM 1693 CB GLU B 57 16.862 -5.728 13.732 1.00 0.00 C ATOM 1694 CG GLU B 57 15.447 -5.589 14.295 1.00 0.00 C ATOM 1695 CD GLU B 57 15.366 -4.338 15.173 1.00 0.00 C ATOM 1696 OE1 GLU B 57 15.989 -4.333 16.222 1.00 0.00 O ATOM 1697 OE2 GLU B 57 14.684 -3.406 14.781 1.00 0.00 O ATOM 0 H GLU B 57 15.463 -6.350 11.897 1.00 0.00 H new ATOM 0 HA GLU B 57 18.038 -7.267 12.723 1.00 0.00 H new ATOM 0 HB2 GLU B 57 17.596 -5.572 14.523 1.00 0.00 H new ATOM 0 HB3 GLU B 57 17.041 -4.963 12.976 1.00 0.00 H new ATOM 0 HG2 GLU B 57 14.725 -5.522 13.481 1.00 0.00 H new ATOM 0 HG3 GLU B 57 15.188 -6.473 14.878 1.00 0.00 H new ATOM 1704 N LEU B 58 15.605 -8.679 14.310 1.00 0.00 N ATOM 1705 CA LEU B 58 15.325 -9.736 15.324 1.00 0.00 C ATOM 1706 C LEU B 58 16.022 -11.043 14.935 1.00 0.00 C ATOM 1707 O LEU B 58 16.239 -11.911 15.757 1.00 0.00 O ATOM 1708 CB LEU B 58 13.806 -9.912 15.303 1.00 0.00 C ATOM 1709 CG LEU B 58 13.202 -9.281 16.558 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.853 -8.647 16.212 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.998 -10.360 17.623 1.00 0.00 C ATOM 0 H LEU B 58 14.800 -8.383 13.758 1.00 0.00 H new ATOM 0 HA LEU B 58 15.691 -9.465 16.314 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.388 -9.446 14.411 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.553 -10.971 15.258 1.00 0.00 H new ATOM 0 HG LEU B 58 13.877 -8.515 16.940 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.422 -8.197 17.107 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.996 -7.879 15.452 1.00 0.00 H new ATOM 0 HD13 LEU B 58 11.178 -9.413 15.830 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.567 -9.911 18.518 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.323 -11.126 17.241 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.958 -10.813 17.870 1.00 0.00 H new ATOM 1723 N PHE B 59 16.375 -11.191 13.686 1.00 0.00 N ATOM 1724 CA PHE B 59 17.059 -12.442 13.247 1.00 0.00 C ATOM 1725 C PHE B 59 18.273 -12.724 14.136 1.00 0.00 C ATOM 1726 O PHE B 59 18.542 -13.854 14.496 1.00 0.00 O ATOM 1727 CB PHE B 59 17.499 -12.168 11.809 1.00 0.00 C ATOM 1728 CG PHE B 59 18.234 -13.372 11.268 1.00 0.00 C ATOM 1729 CD1 PHE B 59 19.563 -13.630 11.672 1.00 0.00 C ATOM 1730 CD2 PHE B 59 17.591 -14.240 10.359 1.00 0.00 C ATOM 1731 CE1 PHE B 59 20.249 -14.755 11.166 1.00 0.00 C ATOM 1732 CE2 PHE B 59 18.277 -15.367 9.852 1.00 0.00 C ATOM 1733 CZ PHE B 59 19.606 -15.625 10.256 1.00 0.00 C ATOM 0 H PHE B 59 16.220 -10.501 12.951 1.00 0.00 H new ATOM 0 HA PHE B 59 16.408 -13.314 13.316 1.00 0.00 H new ATOM 0 HB2 PHE B 59 16.631 -11.949 11.187 1.00 0.00 H new ATOM 0 HB3 PHE B 59 18.144 -11.290 11.776 1.00 0.00 H new ATOM 0 HD1 PHE B 59 20.054 -12.966 12.368 1.00 0.00 H new ATOM 0 HD2 PHE B 59 16.575 -14.043 10.051 1.00 0.00 H new ATOM 0 HE1 PHE B 59 21.265 -14.951 11.474 1.00 0.00 H new ATOM 0 HE2 PHE B 59 17.785 -16.031 9.156 1.00 0.00 H new ATOM 0 HZ PHE B 59 20.130 -16.486 9.870 1.00 0.00 H new ATOM 1743 N ILE B 60 19.007 -11.706 14.495 1.00 0.00 N ATOM 1744 CA ILE B 60 20.203 -11.918 15.361 1.00 0.00 C ATOM 1745 C ILE B 60 19.768 -12.186 16.804 1.00 0.00 C ATOM 1746 O ILE B 60 20.273 -13.076 17.460 1.00 0.00 O ATOM 1747 CB ILE B 60 20.992 -10.612 15.272 1.00 0.00 C ATOM 1748 CG1 ILE B 60 21.329 -10.320 13.808 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.287 -10.743 16.076 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.879 -8.902 13.454 1.00 0.00 C ATOM 0 H ILE B 60 18.831 -10.738 14.227 1.00 0.00 H new ATOM 0 HA ILE B 60 20.797 -12.775 15.044 1.00 0.00 H new ATOM 0 HB ILE B 60 20.393 -9.797 15.678 1.00 0.00 H new ATOM 0 HG12 ILE B 60 22.401 -10.425 13.643 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.835 -11.043 13.159 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.850 -9.812 16.013 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.048 -10.953 17.119 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.886 -11.558 15.670 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.119 -8.694 12.411 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.803 -8.814 13.603 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.394 -8.186 14.095 1.00 0.00 H new ATOM 1762 N ALA B 61 18.833 -11.424 17.304 1.00 0.00 N ATOM 1763 CA ALA B 61 18.368 -11.636 18.704 1.00 0.00 C ATOM 1764 C ALA B 61 17.787 -13.044 18.860 1.00 0.00 C ATOM 1765 O ALA B 61 17.753 -13.595 19.943 1.00 0.00 O ATOM 1766 CB ALA B 61 17.283 -10.581 18.924 1.00 0.00 C ATOM 0 H ALA B 61 18.372 -10.664 16.804 1.00 0.00 H new ATOM 0 HA ALA B 61 19.178 -11.545 19.427 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.888 -10.671 19.936 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.709 -9.587 18.788 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.478 -10.732 18.205 1.00 0.00 H new ATOM 1772 N ALA B 62 17.330 -13.630 17.788 1.00 0.00 N ATOM 1773 CA ALA B 62 16.753 -15.002 17.875 1.00 0.00 C ATOM 1774 C ALA B 62 17.755 -16.033 17.349 1.00 0.00 C ATOM 1775 O ALA B 62 18.209 -16.897 18.073 1.00 0.00 O ATOM 1776 CB ALA B 62 15.508 -14.965 16.990 1.00 0.00 C ATOM 0 H ALA B 62 17.331 -13.218 16.855 1.00 0.00 H new ATOM 0 HA ALA B 62 16.516 -15.285 18.901 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.025 -15.942 17.001 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.815 -14.213 17.368 1.00 0.00 H new ATOM 0 HB3 ALA B 62 15.795 -14.714 15.969 1.00 0.00 H new ATOM 1782 N SER B 63 18.105 -15.948 16.095 1.00 0.00 N ATOM 1783 CA SER B 63 19.078 -16.923 15.524 1.00 0.00 C ATOM 1784 C SER B 63 20.509 -16.406 15.697 1.00 0.00 C ATOM 1785 O SER B 63 21.298 -16.587 14.785 1.00 0.00 O ATOM 1786 CB SER B 63 18.719 -17.020 14.043 1.00 0.00 C ATOM 1787 OG SER B 63 19.614 -17.918 13.399 1.00 0.00 O ATOM 1788 OXT SER B 63 20.790 -15.837 16.740 1.00 0.00 O ATOM 0 H SER B 63 17.760 -15.246 15.441 1.00 0.00 H new ATOM 0 HA SER B 63 19.029 -17.893 16.019 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.692 -17.367 13.928 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.776 -16.036 13.578 1.00 0.00 H new ATOM 0 HG SER B 63 20.537 -17.624 13.549 1.00 0.00 H new TER 1794 SER B 63