USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl 167:sc= -0.684 (180deg=-0.808) USER MOD Set 1.2: A 86 MET CE :methyl -166:sc= -8.49! (180deg=-10.6!) USER MOD Set 2.1: A 46 MET CE :methyl -140:sc= -4.69! (180deg=-0.191) USER MOD Set 2.2: A 51 GLN : amide:sc= -1.65 K(o=-12,f=-14!) USER MOD Set 2.3: A 52 ASN : amide:sc= -0.514 K(o=-12,f=-16!) USER MOD Set 2.4: B 121 MET CE :methyl -177:sc= -5.21! (180deg=-0.998) USER MOD Single : A 1 ALA N :NH3+ -168:sc= -0.0313 (180deg=-0.178) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 178:sc= -2.71! (180deg=-2.94!) USER MOD Single : A 4 THR OG1 : rot 38:sc= 0.447 USER MOD Single : A 6 GLN : amide:sc= -1.57! C(o=-1.6!,f=-7.1!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0539) USER MOD Single : A 28 MET CE :methyl -113:sc= -1.02 (180deg=-3.69!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 79:sc= 0.14 USER MOD Single : A 48 MET CE :methyl -165:sc= -10.9! (180deg=-11.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -152:sc= -1.52! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -136:sc= -2.74! (180deg=-7.71!) USER MOD Single : A 82 MET CE :methyl 153:sc= -10.8! (180deg=-15.1!) USER MOD Single : A 85 GLN : amide:sc= -5.53 K(o=-5.5,f=-8.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot -28:sc= 1.01 USER MOD Single : B 128 SER OG : rot 62:sc= 0.238 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.036) USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.726 -2.283 -12.401 1.00 0.00 N ATOM 2 CA ALA A 1 -16.435 -1.561 -12.268 1.00 0.00 C ATOM 3 C ALA A 1 -16.284 -0.959 -10.875 1.00 0.00 C ATOM 4 O ALA A 1 -15.178 -0.873 -10.342 1.00 0.00 O ATOM 5 CB ALA A 1 -16.329 -0.473 -13.326 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.719 -2.849 -13.273 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.859 -2.910 -11.582 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.506 -1.596 -12.441 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.628 -2.279 -12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.378 0.049 -13.217 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.385 -0.923 -14.317 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.148 0.236 -13.202 1.00 0.00 H new ATOM 13 N SER A 2 -17.403 -0.545 -10.291 1.00 0.00 N ATOM 14 CA SER A 2 -17.397 0.047 -8.959 1.00 0.00 C ATOM 15 C SER A 2 -18.028 -0.895 -7.939 1.00 0.00 C ATOM 16 O SER A 2 -19.091 -1.467 -8.183 1.00 0.00 O ATOM 17 CB SER A 2 -18.144 1.382 -8.967 1.00 0.00 C ATOM 18 OG SER A 2 -17.531 2.306 -9.850 1.00 0.00 O ATOM 0 H SER A 2 -18.326 -0.609 -10.720 1.00 0.00 H new ATOM 0 HA SER A 2 -16.360 0.220 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.180 1.221 -9.266 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.164 1.797 -7.959 1.00 0.00 H new ATOM 0 HG SER A 2 -18.029 3.150 -9.838 1.00 0.00 H new ATOM 24 N MET A 3 -17.367 -1.052 -6.797 1.00 0.00 N ATOM 25 CA MET A 3 -17.862 -1.924 -5.741 1.00 0.00 C ATOM 26 C MET A 3 -17.551 -1.339 -4.367 1.00 0.00 C ATOM 27 O MET A 3 -18.458 -1.018 -3.597 1.00 0.00 O ATOM 28 CB MET A 3 -17.241 -3.317 -5.866 1.00 0.00 C ATOM 29 CG MET A 3 -17.819 -4.143 -7.005 1.00 0.00 C ATOM 30 SD MET A 3 -19.156 -5.225 -6.468 1.00 0.00 S ATOM 31 CE MET A 3 -20.116 -4.100 -5.459 1.00 0.00 C ATOM 0 H MET A 3 -16.486 -0.586 -6.580 1.00 0.00 H new ATOM 0 HA MET A 3 -18.944 -2.006 -5.848 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.166 -3.214 -6.012 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.385 -3.855 -4.929 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.188 -3.474 -7.783 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.027 -4.744 -7.451 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.000 -4.614 -5.082 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.511 -3.757 -4.620 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.422 -3.244 -6.060 1.00 0.00 H new ATOM 41 N THR A 4 -16.264 -1.200 -4.067 1.00 0.00 N ATOM 42 CA THR A 4 -15.831 -0.652 -2.787 1.00 0.00 C ATOM 43 C THR A 4 -15.221 0.733 -2.970 1.00 0.00 C ATOM 44 O THR A 4 -14.110 0.871 -3.480 1.00 0.00 O ATOM 45 CB THR A 4 -14.817 -1.586 -2.124 1.00 0.00 C ATOM 46 OG1 THR A 4 -13.750 -1.877 -3.009 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.417 -2.902 -1.678 1.00 0.00 C ATOM 0 H THR A 4 -15.502 -1.460 -4.694 1.00 0.00 H new ATOM 0 HA THR A 4 -16.706 -0.563 -2.143 1.00 0.00 H new ATOM 0 HB THR A 4 -14.464 -1.050 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.531 -1.077 -3.532 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.644 -3.516 -1.216 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.211 -2.714 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.829 -3.425 -2.541 1.00 0.00 H new ATOM 55 N ASP A 5 -15.957 1.758 -2.550 1.00 0.00 N ATOM 56 CA ASP A 5 -15.487 3.136 -2.668 1.00 0.00 C ATOM 57 C ASP A 5 -14.422 3.455 -1.621 1.00 0.00 C ATOM 58 O ASP A 5 -13.842 4.540 -1.632 1.00 0.00 O ATOM 59 CB ASP A 5 -16.655 4.113 -2.529 1.00 0.00 C ATOM 60 CG ASP A 5 -17.512 3.821 -1.313 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.963 3.795 -0.192 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.733 3.619 -1.482 1.00 0.00 O ATOM 0 H ASP A 5 -16.880 1.662 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.040 3.246 -3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.268 5.130 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.273 4.066 -3.425 1.00 0.00 H new ATOM 67 N GLN A 6 -14.164 2.510 -0.716 1.00 0.00 N ATOM 68 CA GLN A 6 -13.165 2.707 0.330 1.00 0.00 C ATOM 69 C GLN A 6 -11.862 3.253 -0.254 1.00 0.00 C ATOM 70 O GLN A 6 -11.130 3.986 0.412 1.00 0.00 O ATOM 71 CB GLN A 6 -12.903 1.391 1.067 1.00 0.00 C ATOM 72 CG GLN A 6 -12.209 0.341 0.214 1.00 0.00 C ATOM 73 CD GLN A 6 -11.765 -0.864 1.020 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.616 -1.298 0.930 1.00 0.00 O ATOM 75 NE2 GLN A 6 -12.677 -1.413 1.814 1.00 0.00 N ATOM 0 H GLN A 6 -14.632 1.604 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.554 3.438 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.293 1.593 1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.852 0.989 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.885 0.016 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.342 0.788 -0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.618 -1.021 1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.437 -2.227 2.380 1.00 0.00 H new ATOM 84 N GLN A 7 -11.588 2.895 -1.504 1.00 0.00 N ATOM 85 CA GLN A 7 -10.379 3.352 -2.184 1.00 0.00 C ATOM 86 C GLN A 7 -10.396 4.862 -2.357 1.00 0.00 C ATOM 87 O GLN A 7 -9.353 5.516 -2.330 1.00 0.00 O ATOM 88 CB GLN A 7 -10.233 2.704 -3.564 1.00 0.00 C ATOM 89 CG GLN A 7 -11.548 2.485 -4.298 1.00 0.00 C ATOM 90 CD GLN A 7 -11.385 2.530 -5.805 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.876 3.444 -6.468 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.692 1.539 -6.354 1.00 0.00 N ATOM 0 H GLN A 7 -12.186 2.290 -2.067 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.534 3.060 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.587 3.330 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.730 1.744 -3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.965 1.520 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.264 3.247 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.303 0.802 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.549 1.515 -7.364 1.00 0.00 H new ATOM 101 N ALA A 8 -11.587 5.406 -2.550 1.00 0.00 N ATOM 102 CA ALA A 8 -11.743 6.835 -2.743 1.00 0.00 C ATOM 103 C ALA A 8 -11.501 7.589 -1.442 1.00 0.00 C ATOM 104 O ALA A 8 -10.680 8.506 -1.389 1.00 0.00 O ATOM 105 CB ALA A 8 -13.126 7.144 -3.296 1.00 0.00 C ATOM 0 H ALA A 8 -12.459 4.878 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.998 7.168 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.230 8.220 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.256 6.639 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.884 6.795 -2.595 1.00 0.00 H new ATOM 111 N GLU A 9 -12.209 7.189 -0.388 1.00 0.00 N ATOM 112 CA GLU A 9 -12.055 7.824 0.916 1.00 0.00 C ATOM 113 C GLU A 9 -10.586 7.818 1.322 1.00 0.00 C ATOM 114 O GLU A 9 -10.076 8.795 1.868 1.00 0.00 O ATOM 115 CB GLU A 9 -12.896 7.099 1.969 1.00 0.00 C ATOM 116 CG GLU A 9 -14.367 6.987 1.602 1.00 0.00 C ATOM 117 CD GLU A 9 -15.192 8.139 2.144 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.513 8.121 3.350 1.00 0.00 O ATOM 119 OE2 GLU A 9 -15.514 9.058 1.362 1.00 0.00 O ATOM 0 H GLU A 9 -12.892 6.431 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.403 8.855 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.491 6.098 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.806 7.626 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.466 6.953 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.764 6.048 1.988 1.00 0.00 H new ATOM 126 N ALA A 10 -9.916 6.707 1.031 1.00 0.00 N ATOM 127 CA ALA A 10 -8.502 6.541 1.333 1.00 0.00 C ATOM 128 C ALA A 10 -7.706 7.799 0.995 1.00 0.00 C ATOM 129 O ALA A 10 -7.096 8.415 1.868 1.00 0.00 O ATOM 130 CB ALA A 10 -7.961 5.356 0.552 1.00 0.00 C ATOM 0 H ALA A 10 -10.340 5.897 0.579 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.395 6.362 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.902 5.227 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.504 4.455 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.088 5.535 -0.516 1.00 0.00 H new ATOM 136 N ARG A 11 -7.719 8.171 -0.283 1.00 0.00 N ATOM 137 CA ARG A 11 -7.002 9.355 -0.744 1.00 0.00 C ATOM 138 C ARG A 11 -7.374 10.579 0.090 1.00 0.00 C ATOM 139 O ARG A 11 -6.590 11.520 0.214 1.00 0.00 O ATOM 140 CB ARG A 11 -7.308 9.614 -2.222 1.00 0.00 C ATOM 141 CG ARG A 11 -6.173 9.217 -3.153 1.00 0.00 C ATOM 142 CD ARG A 11 -6.387 9.763 -4.556 1.00 0.00 C ATOM 143 NE ARG A 11 -6.549 11.215 -4.561 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.806 11.928 -5.654 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.930 11.329 -6.833 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.941 13.244 -5.570 1.00 0.00 N ATOM 0 H ARG A 11 -8.219 7.669 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.934 9.173 -0.626 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.206 9.063 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.527 10.673 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.228 9.589 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.096 8.130 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.539 9.491 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.270 9.298 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.460 11.711 -3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.828 10.317 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.127 11.881 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.848 13.710 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.138 13.791 -6.408 1.00 0.00 H new ATOM 160 N ALA A 12 -8.573 10.556 0.663 1.00 0.00 N ATOM 161 CA ALA A 12 -9.048 11.660 1.487 1.00 0.00 C ATOM 162 C ALA A 12 -8.765 11.409 2.966 1.00 0.00 C ATOM 163 O ALA A 12 -8.761 12.340 3.771 1.00 0.00 O ATOM 164 CB ALA A 12 -10.537 11.881 1.264 1.00 0.00 C ATOM 0 H ALA A 12 -9.233 9.784 0.571 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.508 12.559 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.879 12.708 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.717 12.117 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.083 10.976 1.531 1.00 0.00 H new ATOM 170 N PHE A 13 -8.531 10.148 3.322 1.00 0.00 N ATOM 171 CA PHE A 13 -8.250 9.785 4.706 1.00 0.00 C ATOM 172 C PHE A 13 -6.821 10.161 5.098 1.00 0.00 C ATOM 173 O PHE A 13 -6.473 10.158 6.279 1.00 0.00 O ATOM 174 CB PHE A 13 -8.474 8.286 4.917 1.00 0.00 C ATOM 175 CG PHE A 13 -9.609 7.977 5.850 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.466 8.149 7.217 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.820 7.515 5.359 1.00 0.00 C ATOM 178 CE1 PHE A 13 -10.509 7.866 8.079 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.867 7.230 6.216 1.00 0.00 C ATOM 180 CZ PHE A 13 -11.711 7.405 7.577 1.00 0.00 C ATOM 0 H PHE A 13 -8.531 9.363 2.671 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.935 10.343 5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.668 7.816 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.560 7.842 5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.528 8.509 7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.947 7.376 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.385 8.005 9.143 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.806 6.871 5.821 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.527 7.182 8.248 1.00 0.00 H new ATOM 190 N LEU A 14 -5.997 10.479 4.104 1.00 0.00 N ATOM 191 CA LEU A 14 -4.609 10.850 4.354 1.00 0.00 C ATOM 192 C LEU A 14 -4.262 12.159 3.654 1.00 0.00 C ATOM 193 O LEU A 14 -5.051 12.684 2.868 1.00 0.00 O ATOM 194 CB LEU A 14 -3.672 9.738 3.880 1.00 0.00 C ATOM 195 CG LEU A 14 -4.171 8.315 4.152 1.00 0.00 C ATOM 196 CD1 LEU A 14 -4.295 7.529 2.855 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.243 7.602 5.122 1.00 0.00 C ATOM 0 H LEU A 14 -6.266 10.487 3.120 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.482 10.990 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.510 9.852 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.704 9.867 4.365 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.160 8.381 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.651 6.522 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.002 8.029 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.321 7.473 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.613 6.593 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.241 7.550 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.209 8.151 6.063 1.00 0.00 H new ATOM 209 N SER A 15 -3.074 12.680 3.943 1.00 0.00 N ATOM 210 CA SER A 15 -2.618 13.925 3.339 1.00 0.00 C ATOM 211 C SER A 15 -1.886 13.652 2.033 1.00 0.00 C ATOM 212 O SER A 15 -1.448 12.529 1.781 1.00 0.00 O ATOM 213 CB SER A 15 -1.693 14.674 4.301 1.00 0.00 C ATOM 214 OG SER A 15 -1.980 14.341 5.648 1.00 0.00 O ATOM 0 H SER A 15 -2.410 12.258 4.592 1.00 0.00 H new ATOM 0 HA SER A 15 -3.492 14.541 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.655 14.430 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.806 15.748 4.157 1.00 0.00 H new ATOM 0 HG SER A 15 -1.374 14.831 6.242 1.00 0.00 H new ATOM 220 N GLU A 16 -1.740 14.686 1.208 1.00 0.00 N ATOM 221 CA GLU A 16 -1.039 14.547 -0.065 1.00 0.00 C ATOM 222 C GLU A 16 0.310 13.866 0.150 1.00 0.00 C ATOM 223 O GLU A 16 0.835 13.200 -0.743 1.00 0.00 O ATOM 224 CB GLU A 16 -0.842 15.919 -0.718 1.00 0.00 C ATOM 225 CG GLU A 16 -1.613 16.089 -2.017 1.00 0.00 C ATOM 226 CD GLU A 16 -2.868 16.923 -1.845 1.00 0.00 C ATOM 227 OE1 GLU A 16 -3.668 16.611 -0.938 1.00 0.00 O ATOM 228 OE2 GLU A 16 -3.051 17.886 -2.618 1.00 0.00 O ATOM 0 H GLU A 16 -2.095 15.623 1.397 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.643 13.930 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.152 16.694 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.220 16.071 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.968 16.559 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.884 15.107 -2.406 1.00 0.00 H new ATOM 235 N GLU A 17 0.856 14.035 1.351 1.00 0.00 N ATOM 236 CA GLU A 17 2.133 13.437 1.710 1.00 0.00 C ATOM 237 C GLU A 17 2.061 11.916 1.619 1.00 0.00 C ATOM 238 O GLU A 17 2.792 11.296 0.847 1.00 0.00 O ATOM 239 CB GLU A 17 2.521 13.858 3.128 1.00 0.00 C ATOM 240 CG GLU A 17 3.430 15.075 3.174 1.00 0.00 C ATOM 241 CD GLU A 17 2.683 16.350 3.512 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.446 16.376 3.342 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.334 17.322 3.947 1.00 0.00 O ATOM 0 H GLU A 17 0.428 14.586 2.095 1.00 0.00 H new ATOM 0 HA GLU A 17 2.891 13.788 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.615 14.070 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.019 13.024 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.213 14.911 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.923 15.192 2.209 1.00 0.00 H new ATOM 250 N MET A 18 1.172 11.323 2.412 1.00 0.00 N ATOM 251 CA MET A 18 0.998 9.873 2.425 1.00 0.00 C ATOM 252 C MET A 18 0.703 9.341 1.025 1.00 0.00 C ATOM 253 O MET A 18 0.942 8.168 0.736 1.00 0.00 O ATOM 254 CB MET A 18 -0.135 9.489 3.381 1.00 0.00 C ATOM 255 CG MET A 18 0.122 8.204 4.157 1.00 0.00 C ATOM 256 SD MET A 18 1.317 8.419 5.492 1.00 0.00 S ATOM 257 CE MET A 18 0.908 7.029 6.546 1.00 0.00 C ATOM 0 H MET A 18 0.560 11.825 3.055 1.00 0.00 H new ATOM 0 HA MET A 18 1.929 9.423 2.770 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.293 10.304 4.088 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.057 9.379 2.810 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.818 7.842 4.572 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.484 7.438 3.472 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.697 6.888 7.285 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.036 7.224 7.055 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.814 6.128 5.940 1.00 0.00 H new ATOM 267 N ILE A 19 0.185 10.207 0.158 1.00 0.00 N ATOM 268 CA ILE A 19 -0.137 9.821 -1.210 1.00 0.00 C ATOM 269 C ILE A 19 1.131 9.667 -2.039 1.00 0.00 C ATOM 270 O ILE A 19 1.452 8.576 -2.510 1.00 0.00 O ATOM 271 CB ILE A 19 -1.065 10.858 -1.881 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.480 10.746 -1.312 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.080 10.675 -3.396 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.438 11.777 -1.868 1.00 0.00 C ATOM 0 H ILE A 19 -0.020 11.181 0.380 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.656 8.864 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.679 11.855 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.869 9.750 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.436 10.850 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.740 11.417 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.071 10.803 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.439 9.675 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.422 11.638 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.072 12.777 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.511 11.660 -2.949 1.00 0.00 H new ATOM 286 N ALA A 20 1.846 10.771 -2.213 1.00 0.00 N ATOM 287 CA ALA A 20 3.081 10.773 -2.983 1.00 0.00 C ATOM 288 C ALA A 20 4.005 9.641 -2.543 1.00 0.00 C ATOM 289 O ALA A 20 4.813 9.144 -3.328 1.00 0.00 O ATOM 290 CB ALA A 20 3.772 12.119 -2.840 1.00 0.00 C ATOM 0 H ALA A 20 1.589 11.680 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 20 2.837 10.609 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.696 12.117 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.115 12.906 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.001 12.301 -1.790 1.00 0.00 H new ATOM 296 N GLU A 21 3.873 9.234 -1.284 1.00 0.00 N ATOM 297 CA GLU A 21 4.687 8.156 -0.741 1.00 0.00 C ATOM 298 C GLU A 21 4.152 6.802 -1.199 1.00 0.00 C ATOM 299 O GLU A 21 4.916 5.862 -1.415 1.00 0.00 O ATOM 300 CB GLU A 21 4.710 8.223 0.789 1.00 0.00 C ATOM 301 CG GLU A 21 4.869 9.632 1.339 1.00 0.00 C ATOM 302 CD GLU A 21 6.160 9.817 2.113 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.507 8.920 2.911 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.822 10.857 1.922 1.00 0.00 O ATOM 0 H GLU A 21 3.209 9.636 -0.622 1.00 0.00 H new ATOM 0 HA GLU A 21 5.705 8.273 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.786 7.794 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.528 7.604 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.839 10.345 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.025 9.861 1.989 1.00 0.00 H new ATOM 311 N PHE A 22 2.832 6.715 -1.354 1.00 0.00 N ATOM 312 CA PHE A 22 2.194 5.480 -1.798 1.00 0.00 C ATOM 313 C PHE A 22 2.660 5.114 -3.203 1.00 0.00 C ATOM 314 O PHE A 22 3.024 3.970 -3.472 1.00 0.00 O ATOM 315 CB PHE A 22 0.670 5.629 -1.793 1.00 0.00 C ATOM 316 CG PHE A 22 0.067 5.784 -0.423 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.604 5.126 0.673 1.00 0.00 C ATOM 318 CD2 PHE A 22 -1.045 6.589 -0.237 1.00 0.00 C ATOM 319 CE1 PHE A 22 0.042 5.269 1.927 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.609 6.737 1.015 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.066 6.076 2.098 1.00 0.00 C ATOM 0 H PHE A 22 2.186 7.484 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 22 2.478 4.687 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.399 6.496 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.230 4.756 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.471 4.495 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.476 7.107 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.469 4.750 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.474 7.370 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.507 6.189 3.077 1.00 0.00 H new ATOM 331 N LYS A 23 2.643 6.101 -4.091 1.00 0.00 N ATOM 332 CA LYS A 23 3.063 5.899 -5.472 1.00 0.00 C ATOM 333 C LYS A 23 4.562 5.618 -5.552 1.00 0.00 C ATOM 334 O LYS A 23 5.064 5.151 -6.574 1.00 0.00 O ATOM 335 CB LYS A 23 2.719 7.130 -6.311 1.00 0.00 C ATOM 336 CG LYS A 23 2.944 6.926 -7.799 1.00 0.00 C ATOM 337 CD LYS A 23 4.294 7.470 -8.238 1.00 0.00 C ATOM 338 CE LYS A 23 4.211 8.128 -9.606 1.00 0.00 C ATOM 339 NZ LYS A 23 3.727 7.182 -10.649 1.00 0.00 N ATOM 0 H LYS A 23 2.342 7.052 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 23 2.530 5.034 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.676 7.396 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.322 7.972 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.885 5.863 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.151 7.422 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.651 8.194 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.022 6.660 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.541 8.987 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.194 8.506 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.844 7.612 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.277 6.301 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.721 6.972 -10.487 1.00 0.00 H new ATOM 353 N ALA A 24 5.269 5.915 -4.465 1.00 0.00 N ATOM 354 CA ALA A 24 6.710 5.706 -4.395 1.00 0.00 C ATOM 355 C ALA A 24 7.113 4.318 -4.885 1.00 0.00 C ATOM 356 O ALA A 24 7.699 4.174 -5.958 1.00 0.00 O ATOM 357 CB ALA A 24 7.191 5.918 -2.968 1.00 0.00 C ATOM 0 H ALA A 24 4.862 6.304 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 24 7.183 6.433 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.269 5.761 -2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.958 6.935 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.691 5.210 -2.307 1.00 0.00 H new ATOM 363 N ALA A 25 6.804 3.301 -4.088 1.00 0.00 N ATOM 364 CA ALA A 25 7.143 1.927 -4.435 1.00 0.00 C ATOM 365 C ALA A 25 6.138 1.322 -5.415 1.00 0.00 C ATOM 366 O ALA A 25 6.280 0.171 -5.825 1.00 0.00 O ATOM 367 CB ALA A 25 7.231 1.080 -3.175 1.00 0.00 C ATOM 0 H ALA A 25 6.319 3.403 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 25 8.113 1.938 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.485 0.054 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.001 1.484 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.271 1.093 -2.660 1.00 0.00 H new ATOM 373 N PHE A 26 5.122 2.098 -5.788 1.00 0.00 N ATOM 374 CA PHE A 26 4.102 1.624 -6.719 1.00 0.00 C ATOM 375 C PHE A 26 4.728 1.136 -8.022 1.00 0.00 C ATOM 376 O PHE A 26 4.201 0.235 -8.675 1.00 0.00 O ATOM 377 CB PHE A 26 3.091 2.735 -7.009 1.00 0.00 C ATOM 378 CG PHE A 26 1.904 2.273 -7.804 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.000 2.081 -9.172 1.00 0.00 C ATOM 380 CD2 PHE A 26 0.690 2.030 -7.181 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.910 1.656 -9.906 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.405 1.604 -7.909 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.295 1.417 -9.273 1.00 0.00 C ATOM 0 H PHE A 26 4.984 3.054 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 26 3.587 0.784 -6.253 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.744 3.155 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.591 3.538 -7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.940 2.266 -9.672 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.599 2.175 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.999 1.511 -10.972 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.345 1.418 -7.412 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.149 1.085 -9.844 1.00 0.00 H new ATOM 393 N ASP A 27 5.855 1.734 -8.394 1.00 0.00 N ATOM 394 CA ASP A 27 6.551 1.353 -9.620 1.00 0.00 C ATOM 395 C ASP A 27 7.353 0.072 -9.414 1.00 0.00 C ATOM 396 O ASP A 27 7.251 -0.868 -10.200 1.00 0.00 O ATOM 397 CB ASP A 27 7.475 2.482 -10.082 1.00 0.00 C ATOM 398 CG ASP A 27 8.377 2.985 -8.971 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.375 2.302 -8.661 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.085 4.063 -8.412 1.00 0.00 O ATOM 0 H ASP A 27 6.305 2.482 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 27 5.802 1.171 -10.391 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.088 2.129 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.873 3.309 -10.459 1.00 0.00 H new ATOM 405 N MET A 28 8.147 0.042 -8.349 1.00 0.00 N ATOM 406 CA MET A 28 8.963 -1.126 -8.037 1.00 0.00 C ATOM 407 C MET A 28 8.085 -2.305 -7.629 1.00 0.00 C ATOM 408 O MET A 28 8.460 -3.465 -7.810 1.00 0.00 O ATOM 409 CB MET A 28 9.953 -0.801 -6.918 1.00 0.00 C ATOM 410 CG MET A 28 11.312 -1.458 -7.096 1.00 0.00 C ATOM 411 SD MET A 28 12.411 -0.503 -8.158 1.00 0.00 S ATOM 412 CE MET A 28 13.464 0.280 -6.939 1.00 0.00 C ATOM 0 H MET A 28 8.243 0.813 -7.688 1.00 0.00 H new ATOM 0 HA MET A 28 9.519 -1.400 -8.933 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.086 0.280 -6.865 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.528 -1.117 -5.965 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.779 -1.588 -6.120 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.177 -2.453 -7.520 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.286 1.355 -6.942 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.239 -0.123 -5.951 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.509 0.084 -7.181 1.00 0.00 H new ATOM 422 N PHE A 29 6.914 -2.002 -7.079 1.00 0.00 N ATOM 423 CA PHE A 29 5.978 -3.031 -6.644 1.00 0.00 C ATOM 424 C PHE A 29 5.614 -3.960 -7.799 1.00 0.00 C ATOM 425 O PHE A 29 5.975 -5.137 -7.801 1.00 0.00 O ATOM 426 CB PHE A 29 4.711 -2.387 -6.080 1.00 0.00 C ATOM 427 CG PHE A 29 4.744 -2.200 -4.590 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.027 -3.264 -3.750 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.494 -0.958 -4.030 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.059 -3.093 -2.380 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.524 -0.781 -2.661 1.00 0.00 C ATOM 432 CZ PHE A 29 4.808 -1.850 -1.835 1.00 0.00 C ATOM 0 H PHE A 29 6.590 -1.047 -6.924 1.00 0.00 H new ATOM 0 HA PHE A 29 6.461 -3.620 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.563 -1.418 -6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.852 -3.005 -6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.225 -4.239 -4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.273 -0.118 -4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.280 -3.931 -1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.326 0.192 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.834 -1.714 -0.764 1.00 0.00 H new ATOM 442 N ASP A 30 4.898 -3.419 -8.780 1.00 0.00 N ATOM 443 CA ASP A 30 4.482 -4.195 -9.941 1.00 0.00 C ATOM 444 C ASP A 30 5.685 -4.788 -10.665 1.00 0.00 C ATOM 445 O ASP A 30 6.548 -4.062 -11.159 1.00 0.00 O ATOM 446 CB ASP A 30 3.677 -3.322 -10.904 1.00 0.00 C ATOM 447 CG ASP A 30 2.347 -2.890 -10.318 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.401 -3.705 -10.331 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.252 -1.738 -9.847 1.00 0.00 O ATOM 0 H ASP A 30 4.594 -2.445 -8.793 1.00 0.00 H new ATOM 0 HA ASP A 30 3.854 -5.013 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.261 -2.439 -11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.502 -3.872 -11.829 1.00 0.00 H new ATOM 454 N ALA A 31 5.734 -6.113 -10.722 1.00 0.00 N ATOM 455 CA ALA A 31 6.827 -6.812 -11.385 1.00 0.00 C ATOM 456 C ALA A 31 6.460 -7.158 -12.824 1.00 0.00 C ATOM 457 O ALA A 31 7.245 -6.938 -13.747 1.00 0.00 O ATOM 458 CB ALA A 31 7.190 -8.072 -10.616 1.00 0.00 C ATOM 0 H ALA A 31 5.027 -6.726 -10.316 1.00 0.00 H new ATOM 0 HA ALA A 31 7.692 -6.149 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.008 -8.584 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.499 -7.805 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.323 -8.731 -10.568 1.00 0.00 H new ATOM 464 N ASP A 32 5.259 -7.699 -13.006 1.00 0.00 N ATOM 465 CA ASP A 32 4.783 -8.074 -14.332 1.00 0.00 C ATOM 466 C ASP A 32 4.678 -6.852 -15.241 1.00 0.00 C ATOM 467 O ASP A 32 4.655 -6.979 -16.465 1.00 0.00 O ATOM 468 CB ASP A 32 3.425 -8.767 -14.231 1.00 0.00 C ATOM 469 CG ASP A 32 2.380 -7.896 -13.561 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.546 -7.586 -12.362 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.397 -7.523 -14.234 1.00 0.00 O ATOM 0 H ASP A 32 4.598 -7.887 -12.252 1.00 0.00 H new ATOM 0 HA ASP A 32 5.505 -8.765 -14.767 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.083 -9.037 -15.230 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.535 -9.695 -13.670 1.00 0.00 H new ATOM 476 N GLY A 33 4.612 -5.669 -14.636 1.00 0.00 N ATOM 477 CA GLY A 33 4.509 -4.447 -15.409 1.00 0.00 C ATOM 478 C GLY A 33 3.596 -3.425 -14.760 1.00 0.00 C ATOM 479 O GLY A 33 4.062 -2.495 -14.102 1.00 0.00 O ATOM 0 H GLY A 33 4.628 -5.537 -13.625 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.502 -4.015 -15.534 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.136 -4.682 -16.406 1.00 0.00 H new ATOM 483 N GLY A 34 2.291 -3.597 -14.947 1.00 0.00 N ATOM 484 CA GLY A 34 1.332 -2.675 -14.369 1.00 0.00 C ATOM 485 C GLY A 34 0.076 -3.372 -13.883 1.00 0.00 C ATOM 486 O GLY A 34 -1.037 -2.944 -14.188 1.00 0.00 O ATOM 0 H GLY A 34 1.881 -4.358 -15.488 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.797 -2.148 -13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.063 -1.924 -15.111 1.00 0.00 H new ATOM 490 N GLY A 35 0.254 -4.449 -13.124 1.00 0.00 N ATOM 491 CA GLY A 35 -0.881 -5.188 -12.606 1.00 0.00 C ATOM 492 C GLY A 35 -1.287 -4.727 -11.219 1.00 0.00 C ATOM 493 O GLY A 35 -1.799 -3.621 -11.051 1.00 0.00 O ATOM 0 H GLY A 35 1.165 -4.823 -12.859 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.726 -5.074 -13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.637 -6.250 -12.576 1.00 0.00 H new ATOM 497 N ASP A 36 -1.056 -5.578 -10.224 1.00 0.00 N ATOM 498 CA ASP A 36 -1.399 -5.250 -8.845 1.00 0.00 C ATOM 499 C ASP A 36 -0.324 -5.748 -7.885 1.00 0.00 C ATOM 500 O ASP A 36 0.706 -6.273 -8.307 1.00 0.00 O ATOM 501 CB ASP A 36 -2.752 -5.860 -8.473 1.00 0.00 C ATOM 502 CG ASP A 36 -3.868 -5.388 -9.385 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.130 -4.168 -9.419 1.00 0.00 O ATOM 504 OD2 ASP A 36 -4.478 -6.240 -10.065 1.00 0.00 O ATOM 0 H ASP A 36 -0.633 -6.498 -10.347 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.463 -4.165 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.683 -6.947 -8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.994 -5.600 -7.442 1.00 0.00 H new ATOM 509 N ILE A 37 -0.571 -5.575 -6.591 1.00 0.00 N ATOM 510 CA ILE A 37 0.374 -6.002 -5.568 1.00 0.00 C ATOM 511 C ILE A 37 -0.193 -7.153 -4.740 1.00 0.00 C ATOM 512 O ILE A 37 -1.182 -6.989 -4.025 1.00 0.00 O ATOM 513 CB ILE A 37 0.751 -4.827 -4.639 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.660 -3.845 -5.378 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.427 -5.323 -3.368 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.734 -2.484 -4.724 1.00 0.00 C ATOM 0 H ILE A 37 -1.419 -5.141 -6.226 1.00 0.00 H new ATOM 0 HA ILE A 37 1.272 -6.349 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.166 -4.314 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.664 -4.266 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.301 -3.729 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.680 -4.473 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.749 -5.986 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.336 -5.866 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.396 -1.839 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.738 -2.043 -4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.121 -2.588 -3.711 1.00 0.00 H new ATOM 528 N SER A 38 0.447 -8.313 -4.839 1.00 0.00 N ATOM 529 CA SER A 38 0.015 -9.492 -4.098 1.00 0.00 C ATOM 530 C SER A 38 0.939 -9.748 -2.910 1.00 0.00 C ATOM 531 O SER A 38 1.709 -8.874 -2.512 1.00 0.00 O ATOM 532 CB SER A 38 -0.012 -10.715 -5.018 1.00 0.00 C ATOM 533 OG SER A 38 -0.450 -10.365 -6.319 1.00 0.00 O ATOM 0 H SER A 38 1.268 -8.462 -5.426 1.00 0.00 H new ATOM 0 HA SER A 38 -0.992 -9.312 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.984 -11.155 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.674 -11.474 -4.600 1.00 0.00 H new ATOM 0 HG SER A 38 -0.457 -11.163 -6.888 1.00 0.00 H new ATOM 539 N THR A 39 0.860 -10.950 -2.348 1.00 0.00 N ATOM 540 CA THR A 39 1.691 -11.315 -1.205 1.00 0.00 C ATOM 541 C THR A 39 3.166 -11.393 -1.595 1.00 0.00 C ATOM 542 O THR A 39 4.047 -11.323 -0.737 1.00 0.00 O ATOM 543 CB THR A 39 1.237 -12.656 -0.627 1.00 0.00 C ATOM 544 OG1 THR A 39 1.328 -13.680 -1.603 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.187 -12.637 -0.114 1.00 0.00 C ATOM 0 H THR A 39 0.230 -11.687 -2.665 1.00 0.00 H new ATOM 0 HA THR A 39 1.577 -10.539 -0.449 1.00 0.00 H new ATOM 0 HB THR A 39 1.905 -12.849 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.035 -14.530 -1.213 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.444 -13.619 0.282 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.279 -11.892 0.676 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.864 -12.386 -0.930 1.00 0.00 H new ATOM 553 N LYS A 40 3.431 -11.543 -2.890 1.00 0.00 N ATOM 554 CA LYS A 40 4.801 -11.636 -3.383 1.00 0.00 C ATOM 555 C LYS A 40 5.354 -10.261 -3.747 1.00 0.00 C ATOM 556 O LYS A 40 6.562 -10.029 -3.674 1.00 0.00 O ATOM 557 CB LYS A 40 4.862 -12.559 -4.602 1.00 0.00 C ATOM 558 CG LYS A 40 6.104 -13.436 -4.640 1.00 0.00 C ATOM 559 CD LYS A 40 5.761 -14.902 -4.432 1.00 0.00 C ATOM 560 CE LYS A 40 6.895 -15.650 -3.749 1.00 0.00 C ATOM 561 NZ LYS A 40 7.724 -16.413 -4.723 1.00 0.00 N ATOM 0 H LYS A 40 2.716 -11.603 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 40 5.416 -12.050 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.977 -13.196 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.827 -11.954 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.608 -13.312 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.802 -13.112 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.856 -14.983 -3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.546 -15.366 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.526 -14.941 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.483 -16.335 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.486 -16.909 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.128 -17.107 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.138 -15.757 -5.415 1.00 0.00 H new ATOM 575 N GLU A 41 4.469 -9.353 -4.143 1.00 0.00 N ATOM 576 CA GLU A 41 4.875 -8.004 -4.524 1.00 0.00 C ATOM 577 C GLU A 41 5.213 -7.158 -3.299 1.00 0.00 C ATOM 578 O GLU A 41 5.982 -6.200 -3.392 1.00 0.00 O ATOM 579 CB GLU A 41 3.768 -7.327 -5.334 1.00 0.00 C ATOM 580 CG GLU A 41 3.594 -7.908 -6.728 1.00 0.00 C ATOM 581 CD GLU A 41 3.421 -6.840 -7.790 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.055 -5.700 -7.432 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.651 -7.142 -8.979 1.00 0.00 O ATOM 0 H GLU A 41 3.466 -9.526 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 41 5.772 -8.087 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.826 -7.415 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.989 -6.263 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.462 -8.521 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.726 -8.567 -6.737 1.00 0.00 H new ATOM 590 N LEU A 42 4.635 -7.511 -2.155 1.00 0.00 N ATOM 591 CA LEU A 42 4.880 -6.772 -0.922 1.00 0.00 C ATOM 592 C LEU A 42 6.205 -7.183 -0.287 1.00 0.00 C ATOM 593 O LEU A 42 7.031 -6.336 0.052 1.00 0.00 O ATOM 594 CB LEU A 42 3.733 -6.989 0.067 1.00 0.00 C ATOM 595 CG LEU A 42 3.196 -5.713 0.719 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.330 -4.919 1.352 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.457 -4.864 -0.305 1.00 0.00 C ATOM 0 H LEU A 42 3.997 -8.300 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 42 4.937 -5.713 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.914 -7.487 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.072 -7.666 0.851 1.00 0.00 H new ATOM 0 HG LEU A 42 2.495 -5.995 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.929 -4.015 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.819 -5.527 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.055 -4.646 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.081 -3.960 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.138 -4.591 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.621 -5.432 -0.714 1.00 0.00 H new ATOM 609 N GLY A 43 6.402 -8.487 -0.127 1.00 0.00 N ATOM 610 CA GLY A 43 7.629 -8.984 0.469 1.00 0.00 C ATOM 611 C GLY A 43 8.870 -8.519 -0.271 1.00 0.00 C ATOM 612 O GLY A 43 9.966 -8.513 0.288 1.00 0.00 O ATOM 0 H GLY A 43 5.735 -9.209 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.684 -8.653 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.606 -10.074 0.483 1.00 0.00 H new ATOM 616 N THR A 44 8.700 -8.133 -1.531 1.00 0.00 N ATOM 617 CA THR A 44 9.815 -7.669 -2.350 1.00 0.00 C ATOM 618 C THR A 44 10.443 -6.403 -1.763 1.00 0.00 C ATOM 619 O THR A 44 11.474 -6.462 -1.092 1.00 0.00 O ATOM 620 CB THR A 44 9.339 -7.414 -3.787 1.00 0.00 C ATOM 621 OG1 THR A 44 9.284 -8.627 -4.517 1.00 0.00 O ATOM 622 CG2 THR A 44 10.216 -6.452 -4.566 1.00 0.00 C ATOM 0 H THR A 44 7.799 -8.132 -2.009 1.00 0.00 H new ATOM 0 HA THR A 44 10.579 -8.446 -2.360 1.00 0.00 H new ATOM 0 HB THR A 44 8.352 -6.963 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.467 -9.114 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.813 -6.325 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.238 -5.487 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.228 -6.852 -4.629 1.00 0.00 H new ATOM 630 N VAL A 45 9.822 -5.262 -2.037 1.00 0.00 N ATOM 631 CA VAL A 45 10.315 -3.977 -1.559 1.00 0.00 C ATOM 632 C VAL A 45 10.495 -3.964 -0.042 1.00 0.00 C ATOM 633 O VAL A 45 11.439 -3.365 0.472 1.00 0.00 O ATOM 634 CB VAL A 45 9.360 -2.837 -1.972 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.929 -3.181 -1.593 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.786 -1.512 -1.352 1.00 0.00 C ATOM 0 H VAL A 45 8.969 -5.201 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 45 11.290 -3.820 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 45 9.411 -2.725 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.268 -2.367 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.628 -4.097 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.863 -3.326 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.095 -0.727 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.775 -1.599 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.793 -1.261 -1.686 1.00 0.00 H new ATOM 646 N MET A 46 9.586 -4.616 0.670 1.00 0.00 N ATOM 647 CA MET A 46 9.652 -4.660 2.126 1.00 0.00 C ATOM 648 C MET A 46 10.886 -5.420 2.608 1.00 0.00 C ATOM 649 O MET A 46 11.350 -5.213 3.729 1.00 0.00 O ATOM 650 CB MET A 46 8.386 -5.300 2.699 1.00 0.00 C ATOM 651 CG MET A 46 7.240 -4.318 2.887 1.00 0.00 C ATOM 652 SD MET A 46 7.660 -2.965 4.003 1.00 0.00 S ATOM 653 CE MET A 46 6.076 -2.661 4.779 1.00 0.00 C ATOM 0 H MET A 46 8.797 -5.120 0.266 1.00 0.00 H new ATOM 0 HA MET A 46 9.727 -3.633 2.484 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.062 -6.102 2.035 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.623 -5.758 3.660 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.955 -3.909 1.918 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.372 -4.849 3.277 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.927 -1.587 4.894 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.281 -3.073 4.157 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.054 -3.137 5.759 1.00 0.00 H new ATOM 663 N ARG A 47 11.412 -6.304 1.763 1.00 0.00 N ATOM 664 CA ARG A 47 12.588 -7.093 2.124 1.00 0.00 C ATOM 665 C ARG A 47 13.884 -6.355 1.794 1.00 0.00 C ATOM 666 O ARG A 47 14.868 -6.461 2.526 1.00 0.00 O ATOM 667 CB ARG A 47 12.565 -8.441 1.403 1.00 0.00 C ATOM 668 CG ARG A 47 11.732 -9.496 2.113 1.00 0.00 C ATOM 669 CD ARG A 47 11.457 -10.692 1.215 1.00 0.00 C ATOM 670 NE ARG A 47 12.131 -11.899 1.688 1.00 0.00 N ATOM 671 CZ ARG A 47 13.405 -12.188 1.429 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.148 -11.362 0.702 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.938 -13.306 1.901 1.00 0.00 N ATOM 0 H ARG A 47 11.046 -6.491 0.830 1.00 0.00 H new ATOM 0 HA ARG A 47 12.555 -7.256 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.174 -8.298 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.587 -8.806 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.253 -9.827 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.787 -9.058 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.383 -10.871 1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.786 -10.467 0.201 1.00 0.00 H new ATOM 0 HE ARG A 47 11.594 -12.559 2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.744 -10.499 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.123 -11.590 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.373 -13.943 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.914 -13.529 1.704 1.00 0.00 H new ATOM 687 N MET A 48 13.884 -5.616 0.690 1.00 0.00 N ATOM 688 CA MET A 48 15.071 -4.875 0.273 1.00 0.00 C ATOM 689 C MET A 48 15.206 -3.563 1.043 1.00 0.00 C ATOM 690 O MET A 48 16.291 -2.987 1.117 1.00 0.00 O ATOM 691 CB MET A 48 15.026 -4.595 -1.231 1.00 0.00 C ATOM 692 CG MET A 48 13.763 -3.878 -1.680 1.00 0.00 C ATOM 693 SD MET A 48 14.084 -2.630 -2.941 1.00 0.00 S ATOM 694 CE MET A 48 12.604 -1.631 -2.809 1.00 0.00 C ATOM 0 H MET A 48 13.081 -5.514 0.070 1.00 0.00 H new ATOM 0 HA MET A 48 15.941 -5.492 0.496 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.892 -3.993 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.109 -5.539 -1.770 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.054 -4.609 -2.070 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.292 -3.405 -0.818 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.520 -0.987 -3.685 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.731 -2.281 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.659 -1.016 -1.911 1.00 0.00 H new ATOM 704 N LEU A 49 14.101 -3.093 1.613 1.00 0.00 N ATOM 705 CA LEU A 49 14.105 -1.850 2.374 1.00 0.00 C ATOM 706 C LEU A 49 14.579 -2.083 3.804 1.00 0.00 C ATOM 707 O LEU A 49 15.425 -1.351 4.316 1.00 0.00 O ATOM 708 CB LEU A 49 12.707 -1.233 2.388 1.00 0.00 C ATOM 709 CG LEU A 49 12.259 -0.615 1.063 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.802 -0.190 1.144 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.144 0.570 0.702 1.00 0.00 C ATOM 0 H LEU A 49 13.193 -3.554 1.562 1.00 0.00 H new ATOM 0 HA LEU A 49 14.798 -1.163 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.990 -2.002 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.674 -0.464 3.160 1.00 0.00 H new ATOM 0 HG LEU A 49 12.356 -1.366 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.497 0.248 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.181 -1.060 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.682 0.547 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.811 0.998 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.078 1.325 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.177 0.236 0.606 1.00 0.00 H new ATOM 723 N GLY A 50 14.026 -3.108 4.445 1.00 0.00 N ATOM 724 CA GLY A 50 14.404 -3.416 5.812 1.00 0.00 C ATOM 725 C GLY A 50 13.323 -4.179 6.556 1.00 0.00 C ATOM 726 O GLY A 50 13.607 -4.885 7.522 1.00 0.00 O ATOM 0 H GLY A 50 13.324 -3.730 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.322 -4.004 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.621 -2.489 6.343 1.00 0.00 H new ATOM 730 N GLN A 51 12.080 -4.036 6.104 1.00 0.00 N ATOM 731 CA GLN A 51 10.956 -4.718 6.734 1.00 0.00 C ATOM 732 C GLN A 51 11.053 -6.226 6.517 1.00 0.00 C ATOM 733 O GLN A 51 11.763 -6.688 5.624 1.00 0.00 O ATOM 734 CB GLN A 51 9.634 -4.190 6.172 1.00 0.00 C ATOM 735 CG GLN A 51 8.677 -3.686 7.241 1.00 0.00 C ATOM 736 CD GLN A 51 8.031 -4.812 8.024 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.617 -5.342 8.970 1.00 0.00 O ATOM 738 NE2 GLN A 51 6.818 -5.185 7.634 1.00 0.00 N ATOM 0 H GLN A 51 11.827 -3.455 5.305 1.00 0.00 H new ATOM 0 HA GLN A 51 10.989 -4.519 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.843 -3.381 5.473 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.147 -4.983 5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.216 -3.034 7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.900 -3.082 6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.370 -4.718 6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.334 -5.938 8.123 1.00 0.00 H new ATOM 747 N ASN A 52 10.345 -6.990 7.340 1.00 0.00 N ATOM 748 CA ASN A 52 10.365 -8.443 7.226 1.00 0.00 C ATOM 749 C ASN A 52 9.001 -9.046 7.547 1.00 0.00 C ATOM 750 O ASN A 52 8.886 -9.930 8.397 1.00 0.00 O ATOM 751 CB ASN A 52 11.428 -9.030 8.151 1.00 0.00 C ATOM 752 CG ASN A 52 11.188 -8.678 9.606 1.00 0.00 C ATOM 753 OD1 ASN A 52 10.306 -7.881 9.927 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.975 -9.272 10.496 1.00 0.00 N ATOM 0 H ASN A 52 9.753 -6.631 8.089 1.00 0.00 H new ATOM 0 HA ASN A 52 10.609 -8.693 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.443 -10.114 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.410 -8.665 7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.861 -9.074 11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.693 -9.926 10.185 1.00 0.00 H new ATOM 761 N PRO A 53 7.946 -8.584 6.860 1.00 0.00 N ATOM 762 CA PRO A 53 6.588 -9.091 7.068 1.00 0.00 C ATOM 763 C PRO A 53 6.439 -10.531 6.586 1.00 0.00 C ATOM 764 O PRO A 53 6.429 -10.796 5.384 1.00 0.00 O ATOM 765 CB PRO A 53 5.723 -8.151 6.226 1.00 0.00 C ATOM 766 CG PRO A 53 6.642 -7.637 5.172 1.00 0.00 C ATOM 767 CD PRO A 53 7.995 -7.540 5.821 1.00 0.00 C ATOM 0 HA PRO A 53 6.312 -9.109 8.122 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.874 -8.678 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.318 -7.339 6.829 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.667 -8.308 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.313 -6.664 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.798 -7.720 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.166 -6.553 6.250 1.00 0.00 H new ATOM 775 N THR A 54 6.332 -11.459 7.532 1.00 0.00 N ATOM 776 CA THR A 54 6.192 -12.875 7.205 1.00 0.00 C ATOM 777 C THR A 54 5.005 -13.111 6.276 1.00 0.00 C ATOM 778 O THR A 54 4.235 -12.193 5.991 1.00 0.00 O ATOM 779 CB THR A 54 6.023 -13.700 8.482 1.00 0.00 C ATOM 780 OG1 THR A 54 6.614 -13.039 9.587 1.00 0.00 O ATOM 781 CG2 THR A 54 6.637 -15.080 8.389 1.00 0.00 C ATOM 0 H THR A 54 6.340 -11.256 8.532 1.00 0.00 H new ATOM 0 HA THR A 54 7.099 -13.191 6.690 1.00 0.00 H new ATOM 0 HB THR A 54 4.947 -13.808 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.494 -13.581 10.395 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.481 -15.611 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.167 -15.634 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.706 -14.990 8.196 1.00 0.00 H new ATOM 789 N LYS A 55 4.863 -14.347 5.808 1.00 0.00 N ATOM 790 CA LYS A 55 3.770 -14.706 4.912 1.00 0.00 C ATOM 791 C LYS A 55 2.423 -14.354 5.534 1.00 0.00 C ATOM 792 O LYS A 55 1.554 -13.782 4.877 1.00 0.00 O ATOM 793 CB LYS A 55 3.819 -16.200 4.585 1.00 0.00 C ATOM 794 CG LYS A 55 2.865 -16.611 3.475 1.00 0.00 C ATOM 795 CD LYS A 55 3.395 -16.212 2.108 1.00 0.00 C ATOM 796 CE LYS A 55 2.518 -16.754 0.990 1.00 0.00 C ATOM 797 NZ LYS A 55 2.806 -18.186 0.703 1.00 0.00 N ATOM 0 H LYS A 55 5.492 -15.117 6.035 1.00 0.00 H new ATOM 0 HA LYS A 55 3.886 -14.137 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.836 -16.467 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.583 -16.768 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.712 -17.690 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.893 -16.146 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.444 -15.125 2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.412 -16.586 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.469 -16.643 1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.675 -16.164 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.188 -18.517 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.800 -18.289 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.632 -18.753 1.557 1.00 0.00 H new ATOM 811 N CYS A 56 2.260 -14.696 6.808 1.00 0.00 N ATOM 812 CA CYS A 56 1.022 -14.412 7.522 1.00 0.00 C ATOM 813 C CYS A 56 0.808 -12.908 7.650 1.00 0.00 C ATOM 814 O CYS A 56 -0.326 -12.428 7.658 1.00 0.00 O ATOM 815 CB CYS A 56 1.047 -15.055 8.909 1.00 0.00 C ATOM 816 SG CYS A 56 -0.555 -15.690 9.458 1.00 0.00 S ATOM 0 H CYS A 56 2.970 -15.170 7.366 1.00 0.00 H new ATOM 0 HA CYS A 56 0.195 -14.835 6.951 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.768 -15.873 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.402 -14.320 9.632 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.431 -16.216 10.640 1.00 0.00 H new ATOM 822 N GLU A 57 1.908 -12.167 7.750 1.00 0.00 N ATOM 823 CA GLU A 57 1.843 -10.716 7.876 1.00 0.00 C ATOM 824 C GLU A 57 1.197 -10.093 6.644 1.00 0.00 C ATOM 825 O GLU A 57 0.106 -9.529 6.722 1.00 0.00 O ATOM 826 CB GLU A 57 3.246 -10.136 8.074 1.00 0.00 C ATOM 827 CG GLU A 57 3.993 -10.738 9.253 1.00 0.00 C ATOM 828 CD GLU A 57 3.190 -10.689 10.539 1.00 0.00 C ATOM 829 OE1 GLU A 57 2.356 -9.771 10.684 1.00 0.00 O ATOM 830 OE2 GLU A 57 3.394 -11.571 11.400 1.00 0.00 O ATOM 0 H GLU A 57 2.854 -12.548 7.746 1.00 0.00 H new ATOM 0 HA GLU A 57 1.232 -10.480 8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.828 -10.296 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.168 -9.058 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.247 -11.774 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.932 -10.203 9.395 1.00 0.00 H new ATOM 837 N LEU A 58 1.878 -10.201 5.509 1.00 0.00 N ATOM 838 CA LEU A 58 1.371 -9.650 4.260 1.00 0.00 C ATOM 839 C LEU A 58 0.048 -10.307 3.878 1.00 0.00 C ATOM 840 O LEU A 58 -0.832 -9.666 3.305 1.00 0.00 O ATOM 841 CB LEU A 58 2.396 -9.841 3.138 1.00 0.00 C ATOM 842 CG LEU A 58 3.835 -9.464 3.500 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.812 -10.067 2.501 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.994 -7.952 3.553 1.00 0.00 C ATOM 0 H LEU A 58 2.783 -10.665 5.429 1.00 0.00 H new ATOM 0 HA LEU A 58 1.199 -8.583 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.378 -10.885 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.086 -9.246 2.279 1.00 0.00 H new ATOM 0 HG LEU A 58 4.058 -9.868 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.830 -9.789 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.718 -11.153 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.589 -9.692 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.023 -7.703 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.752 -7.526 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.321 -7.542 4.306 1.00 0.00 H new ATOM 856 N ASP A 59 -0.085 -11.587 4.208 1.00 0.00 N ATOM 857 CA ASP A 59 -1.302 -12.331 3.906 1.00 0.00 C ATOM 858 C ASP A 59 -2.453 -11.870 4.790 1.00 0.00 C ATOM 859 O ASP A 59 -3.621 -12.013 4.428 1.00 0.00 O ATOM 860 CB ASP A 59 -1.071 -13.833 4.091 1.00 0.00 C ATOM 861 CG ASP A 59 -2.280 -14.656 3.698 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.762 -14.497 2.556 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.747 -15.462 4.530 1.00 0.00 O ATOM 0 H ASP A 59 0.635 -12.131 4.684 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.565 -12.139 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.214 -14.142 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.821 -14.034 5.133 1.00 0.00 H new ATOM 868 N ALA A 60 -2.121 -11.311 5.948 1.00 0.00 N ATOM 869 CA ALA A 60 -3.135 -10.828 6.871 1.00 0.00 C ATOM 870 C ALA A 60 -3.687 -9.483 6.413 1.00 0.00 C ATOM 871 O ALA A 60 -4.861 -9.178 6.620 1.00 0.00 O ATOM 872 CB ALA A 60 -2.567 -10.724 8.278 1.00 0.00 C ATOM 0 H ALA A 60 -1.161 -11.182 6.267 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.956 -11.545 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.339 -10.361 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.228 -11.706 8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.726 -10.030 8.281 1.00 0.00 H new ATOM 878 N ILE A 61 -2.831 -8.686 5.782 1.00 0.00 N ATOM 879 CA ILE A 61 -3.230 -7.377 5.284 1.00 0.00 C ATOM 880 C ILE A 61 -3.987 -7.520 3.965 1.00 0.00 C ATOM 881 O ILE A 61 -5.156 -7.149 3.868 1.00 0.00 O ATOM 882 CB ILE A 61 -2.001 -6.457 5.090 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.553 -5.878 6.435 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.304 -5.334 4.108 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.968 -6.910 7.373 1.00 0.00 C ATOM 0 H ILE A 61 -1.856 -8.925 5.604 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.886 -6.921 6.025 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.192 -7.059 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.812 -5.099 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.406 -5.402 6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.422 -4.704 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.576 -5.759 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.131 -4.733 4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.673 -6.428 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.714 -7.677 7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.095 -7.369 6.910 1.00 0.00 H new ATOM 897 N ILE A 62 -3.310 -8.065 2.956 1.00 0.00 N ATOM 898 CA ILE A 62 -3.913 -8.265 1.639 1.00 0.00 C ATOM 899 C ILE A 62 -5.328 -8.828 1.754 1.00 0.00 C ATOM 900 O ILE A 62 -6.209 -8.487 0.964 1.00 0.00 O ATOM 901 CB ILE A 62 -3.054 -9.209 0.772 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.684 -8.577 0.518 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.756 -9.523 -0.545 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.794 -9.404 -0.383 1.00 0.00 C ATOM 0 H ILE A 62 -2.341 -8.377 3.025 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.962 -7.288 1.159 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.915 -10.148 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.824 -7.592 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.180 -8.425 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.132 -10.190 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.712 -10.006 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.926 -8.598 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.160 -8.895 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.623 -10.380 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.277 -9.534 -1.351 1.00 0.00 H new ATOM 916 N CYS A 63 -5.540 -9.685 2.746 1.00 0.00 N ATOM 917 CA CYS A 63 -6.851 -10.286 2.966 1.00 0.00 C ATOM 918 C CYS A 63 -7.835 -9.242 3.482 1.00 0.00 C ATOM 919 O CYS A 63 -8.970 -9.160 3.013 1.00 0.00 O ATOM 920 CB CYS A 63 -6.747 -11.446 3.958 1.00 0.00 C ATOM 921 SG CYS A 63 -8.011 -12.719 3.737 1.00 0.00 S ATOM 0 H CYS A 63 -4.823 -9.979 3.409 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.217 -10.671 2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.763 -11.905 3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.817 -11.051 4.972 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.840 -13.658 4.619 1.00 0.00 H new ATOM 927 N GLU A 64 -7.388 -8.442 4.445 1.00 0.00 N ATOM 928 CA GLU A 64 -8.226 -7.396 5.017 1.00 0.00 C ATOM 929 C GLU A 64 -8.462 -6.288 3.998 1.00 0.00 C ATOM 930 O GLU A 64 -9.554 -5.726 3.916 1.00 0.00 O ATOM 931 CB GLU A 64 -7.575 -6.820 6.276 1.00 0.00 C ATOM 932 CG GLU A 64 -7.991 -7.528 7.555 1.00 0.00 C ATOM 933 CD GLU A 64 -7.757 -6.683 8.792 1.00 0.00 C ATOM 934 OE1 GLU A 64 -7.853 -5.442 8.690 1.00 0.00 O ATOM 935 OE2 GLU A 64 -7.475 -7.263 9.862 1.00 0.00 O ATOM 0 H GLU A 64 -6.451 -8.499 4.845 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.187 -7.834 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.491 -6.879 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.831 -5.763 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.047 -7.791 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.435 -8.461 7.647 1.00 0.00 H new ATOM 942 N VAL A 65 -7.430 -5.987 3.217 1.00 0.00 N ATOM 943 CA VAL A 65 -7.519 -4.955 2.194 1.00 0.00 C ATOM 944 C VAL A 65 -8.492 -5.368 1.094 1.00 0.00 C ATOM 945 O VAL A 65 -9.526 -4.732 0.891 1.00 0.00 O ATOM 946 CB VAL A 65 -6.138 -4.668 1.565 1.00 0.00 C ATOM 947 CG1 VAL A 65 -6.244 -3.602 0.482 1.00 0.00 C ATOM 948 CG2 VAL A 65 -5.139 -4.250 2.636 1.00 0.00 C ATOM 0 H VAL A 65 -6.521 -6.445 3.274 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.881 -4.049 2.680 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.779 -5.586 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.258 -3.418 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.921 -3.945 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.629 -2.679 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.172 -4.052 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.495 -3.348 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.034 -5.051 3.368 1.00 0.00 H new ATOM 958 N ASP A 66 -8.150 -6.440 0.388 1.00 0.00 N ATOM 959 CA ASP A 66 -8.986 -6.945 -0.693 1.00 0.00 C ATOM 960 C ASP A 66 -10.369 -7.328 -0.181 1.00 0.00 C ATOM 961 O ASP A 66 -10.508 -8.216 0.660 1.00 0.00 O ATOM 962 CB ASP A 66 -8.320 -8.154 -1.353 1.00 0.00 C ATOM 963 CG ASP A 66 -7.150 -7.758 -2.232 1.00 0.00 C ATOM 964 OD1 ASP A 66 -7.239 -6.709 -2.903 1.00 0.00 O ATOM 965 OD2 ASP A 66 -6.142 -8.496 -2.246 1.00 0.00 O ATOM 0 H ASP A 66 -7.297 -6.977 0.546 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.102 -6.152 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.975 -8.842 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.056 -8.690 -1.952 1.00 0.00 H new ATOM 970 N GLU A 67 -11.392 -6.652 -0.694 1.00 0.00 N ATOM 971 CA GLU A 67 -12.766 -6.922 -0.290 1.00 0.00 C ATOM 972 C GLU A 67 -13.461 -7.836 -1.295 1.00 0.00 C ATOM 973 O GLU A 67 -14.684 -7.804 -1.436 1.00 0.00 O ATOM 974 CB GLU A 67 -13.546 -5.614 -0.150 1.00 0.00 C ATOM 975 CG GLU A 67 -13.465 -5.002 1.239 1.00 0.00 C ATOM 976 CD GLU A 67 -14.764 -5.131 2.010 1.00 0.00 C ATOM 977 OE1 GLU A 67 -15.273 -6.266 2.131 1.00 0.00 O ATOM 978 OE2 GLU A 67 -15.272 -4.099 2.494 1.00 0.00 O ATOM 0 H GLU A 67 -11.295 -5.913 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.740 -7.427 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.167 -4.896 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.592 -5.796 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.665 -5.486 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.201 -3.948 1.153 1.00 0.00 H new ATOM 985 N ASP A 68 -12.675 -8.650 -1.992 1.00 0.00 N ATOM 986 CA ASP A 68 -13.218 -9.572 -2.984 1.00 0.00 C ATOM 987 C ASP A 68 -12.376 -10.843 -3.076 1.00 0.00 C ATOM 988 O ASP A 68 -12.419 -11.554 -4.080 1.00 0.00 O ATOM 989 CB ASP A 68 -13.287 -8.893 -4.353 1.00 0.00 C ATOM 990 CG ASP A 68 -11.921 -8.486 -4.870 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.230 -7.710 -4.177 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.541 -8.945 -5.968 1.00 0.00 O ATOM 0 H ASP A 68 -11.661 -8.690 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.223 -9.851 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.755 -9.570 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.924 -8.011 -4.286 1.00 0.00 H new ATOM 997 N GLY A 69 -11.612 -11.127 -2.022 1.00 0.00 N ATOM 998 CA GLY A 69 -10.773 -12.314 -2.008 1.00 0.00 C ATOM 999 C GLY A 69 -9.960 -12.474 -3.278 1.00 0.00 C ATOM 1000 O GLY A 69 -9.771 -13.588 -3.766 1.00 0.00 O ATOM 0 H GLY A 69 -11.560 -10.556 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.098 -12.266 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.400 -13.195 -1.870 1.00 0.00 H new ATOM 1004 N SER A 70 -9.481 -11.357 -3.816 1.00 0.00 N ATOM 1005 CA SER A 70 -8.687 -11.376 -5.039 1.00 0.00 C ATOM 1006 C SER A 70 -7.197 -11.465 -4.725 1.00 0.00 C ATOM 1007 O SER A 70 -6.419 -12.005 -5.510 1.00 0.00 O ATOM 1008 CB SER A 70 -8.968 -10.125 -5.872 1.00 0.00 C ATOM 1009 OG SER A 70 -9.235 -9.007 -5.041 1.00 0.00 O ATOM 0 H SER A 70 -9.629 -10.427 -3.424 1.00 0.00 H new ATOM 0 HA SER A 70 -8.971 -12.260 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.112 -9.910 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.819 -10.305 -6.529 1.00 0.00 H new ATOM 0 HG SER A 70 -9.825 -8.383 -5.512 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.806 -10.926 -3.574 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.408 -10.952 -3.184 1.00 0.00 C ATOM 1017 C GLY A 71 -4.560 -9.988 -3.994 1.00 0.00 C ATOM 1018 O GLY A 71 -3.332 -10.002 -3.897 1.00 0.00 O ATOM 0 H GLY A 71 -7.430 -10.473 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.325 -10.703 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.019 -11.963 -3.305 1.00 0.00 H new ATOM 1022 N THR A 72 -5.212 -9.148 -4.794 1.00 0.00 N ATOM 1023 CA THR A 72 -4.507 -8.175 -5.620 1.00 0.00 C ATOM 1024 C THR A 72 -4.897 -6.752 -5.236 1.00 0.00 C ATOM 1025 O THR A 72 -6.079 -6.441 -5.086 1.00 0.00 O ATOM 1026 CB THR A 72 -4.807 -8.417 -7.100 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.203 -8.390 -7.339 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.280 -9.741 -7.609 1.00 0.00 C ATOM 0 H THR A 72 -6.227 -9.123 -4.887 1.00 0.00 H new ATOM 0 HA THR A 72 -3.438 -8.298 -5.449 1.00 0.00 H new ATOM 0 HB THR A 72 -4.299 -7.613 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.375 -8.545 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.527 -9.849 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.198 -9.774 -7.484 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.735 -10.555 -7.045 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.896 -5.893 -5.077 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.133 -4.503 -4.709 1.00 0.00 C ATOM 1038 C ILE A 73 -4.211 -3.614 -5.948 1.00 0.00 C ATOM 1039 O ILE A 73 -3.241 -3.484 -6.694 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.026 -3.979 -3.770 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.883 -4.902 -2.558 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.332 -2.556 -3.324 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.671 -4.596 -1.706 1.00 0.00 C ATOM 0 H ILE A 73 -2.913 -6.136 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.088 -4.466 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.082 -3.970 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.779 -4.822 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.824 -5.934 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.540 -2.204 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.392 -1.906 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.284 -2.538 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.633 -5.289 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.768 -4.704 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.738 -3.574 -1.332 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.375 -3.008 -6.159 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.589 -2.133 -7.307 1.00 0.00 C ATOM 1057 C ASP A 74 -4.808 -0.830 -7.157 1.00 0.00 C ATOM 1058 O ASP A 74 -3.915 -0.724 -6.318 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.082 -1.835 -7.471 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.531 -1.919 -8.917 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.828 -3.039 -9.383 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -7.587 -0.863 -9.583 1.00 0.00 O ATOM 0 H ASP A 74 -6.186 -3.107 -5.549 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.226 -2.646 -8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.659 -2.540 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.296 -0.839 -7.084 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.150 0.156 -7.980 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.482 1.452 -7.944 1.00 0.00 C ATOM 1069 C PHE A 75 -4.699 2.145 -6.601 1.00 0.00 C ATOM 1070 O PHE A 75 -3.819 2.138 -5.741 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.987 2.342 -9.085 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.919 2.709 -10.075 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.149 3.847 -9.894 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.684 1.916 -11.187 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.165 4.188 -10.803 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.702 2.252 -12.100 1.00 0.00 C ATOM 1077 CZ PHE A 75 -1.941 3.389 -11.908 1.00 0.00 C ATOM 0 H PHE A 75 -5.887 0.082 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.413 1.284 -8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.794 1.828 -9.607 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.410 3.254 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.320 4.475 -9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.275 1.025 -11.342 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.572 5.078 -10.650 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.530 1.626 -12.963 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.173 3.653 -12.620 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.874 2.743 -6.427 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.199 3.439 -5.186 1.00 0.00 C ATOM 1089 C GLU A 76 -6.212 2.475 -4.005 1.00 0.00 C ATOM 1090 O GLU A 76 -6.032 2.885 -2.858 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.556 4.137 -5.300 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.550 5.332 -6.240 1.00 0.00 C ATOM 1093 CD GLU A 76 -6.957 6.572 -5.601 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.575 7.108 -4.657 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -5.874 7.009 -6.044 1.00 0.00 O ATOM 0 H GLU A 76 -6.615 2.760 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.427 4.189 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.297 3.417 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.870 4.466 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.982 5.082 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.571 5.544 -6.559 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.425 1.193 -4.288 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.459 0.176 -3.242 1.00 0.00 C ATOM 1104 C GLU A 77 -5.221 0.263 -2.354 1.00 0.00 C ATOM 1105 O GLU A 77 -5.270 -0.081 -1.175 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.566 -1.221 -3.860 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.951 -1.836 -3.734 1.00 0.00 C ATOM 1108 CD GLU A 77 -7.933 -3.348 -3.853 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.616 -3.853 -4.951 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.234 -4.027 -2.849 1.00 0.00 O ATOM 0 H GLU A 77 -6.576 0.834 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.338 0.358 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.297 -1.165 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.840 -1.878 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.382 -1.556 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.599 -1.423 -4.507 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.115 0.733 -2.926 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.869 0.871 -2.178 1.00 0.00 C ATOM 1119 C PHE A 78 -2.999 1.932 -1.087 1.00 0.00 C ATOM 1120 O PHE A 78 -2.209 1.963 -0.143 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.714 1.227 -3.113 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.368 1.071 -2.468 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.173 2.094 -1.707 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.352 -0.103 -2.614 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.408 1.951 -1.106 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.587 -0.254 -2.014 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.117 0.776 -1.259 1.00 0.00 C ATOM 0 H PHE A 78 -4.057 1.024 -3.902 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.658 -0.089 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.762 0.593 -3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.832 2.257 -3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.378 3.015 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.057 -0.910 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.819 2.757 -0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.138 -1.175 -2.134 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.083 0.662 -0.790 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.997 2.801 -1.221 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.224 3.857 -0.243 1.00 0.00 C ATOM 1139 C LEU A 79 -5.177 3.389 0.852 1.00 0.00 C ATOM 1140 O LEU A 79 -5.029 3.761 2.015 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.790 5.103 -0.927 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.838 5.792 -1.906 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.207 5.455 -3.341 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.851 7.299 -1.692 1.00 0.00 C ATOM 0 H LEU A 79 -4.660 2.794 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.266 4.105 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.698 4.825 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.080 5.821 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.829 5.425 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.517 5.955 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.145 4.377 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.224 5.791 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.168 7.773 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.859 7.680 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.535 7.525 -0.674 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.155 2.572 0.473 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.129 2.057 1.427 1.00 0.00 C ATOM 1158 C VAL A 80 -6.533 0.938 2.274 1.00 0.00 C ATOM 1159 O VAL A 80 -6.845 0.808 3.457 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.404 1.553 0.720 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.172 0.202 0.058 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.558 1.486 1.708 1.00 0.00 C ATOM 0 H VAL A 80 -6.293 2.253 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.402 2.886 2.080 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.662 2.261 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.089 -0.126 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.377 0.291 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.883 -0.529 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.453 1.129 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.304 0.802 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.745 2.479 2.117 1.00 0.00 H new ATOM 1172 N MET A 81 -5.661 0.143 1.664 1.00 0.00 N ATOM 1173 CA MET A 81 -5.002 -0.954 2.362 1.00 0.00 C ATOM 1174 C MET A 81 -4.399 -0.458 3.661 1.00 0.00 C ATOM 1175 O MET A 81 -4.426 -1.135 4.688 1.00 0.00 O ATOM 1176 CB MET A 81 -3.888 -1.526 1.493 1.00 0.00 C ATOM 1177 CG MET A 81 -3.045 -0.461 0.814 1.00 0.00 C ATOM 1178 SD MET A 81 -1.309 -0.921 0.702 1.00 0.00 S ATOM 1179 CE MET A 81 -0.948 -1.184 2.432 1.00 0.00 C ATOM 0 H MET A 81 -5.394 0.239 0.684 1.00 0.00 H new ATOM 0 HA MET A 81 -5.743 -1.725 2.572 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.242 -2.152 2.109 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.326 -2.172 0.732 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.434 -0.279 -0.188 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.134 0.475 1.366 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.009 -0.724 2.678 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.733 -0.735 3.040 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.899 -2.254 2.635 1.00 0.00 H new ATOM 1189 N MET A 82 -3.848 0.736 3.580 1.00 0.00 N ATOM 1190 CA MET A 82 -3.207 1.387 4.703 1.00 0.00 C ATOM 1191 C MET A 82 -4.242 1.942 5.672 1.00 0.00 C ATOM 1192 O MET A 82 -4.091 1.837 6.890 1.00 0.00 O ATOM 1193 CB MET A 82 -2.327 2.507 4.170 1.00 0.00 C ATOM 1194 CG MET A 82 -0.957 2.038 3.732 1.00 0.00 C ATOM 1195 SD MET A 82 0.128 1.683 5.121 1.00 0.00 S ATOM 1196 CE MET A 82 1.437 2.853 4.791 1.00 0.00 C ATOM 0 H MET A 82 -3.833 1.288 2.722 1.00 0.00 H new ATOM 0 HA MET A 82 -2.602 0.662 5.248 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.827 2.982 3.326 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.213 3.268 4.942 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.062 1.143 3.120 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.499 2.802 3.104 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.926 3.125 5.726 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.166 2.403 4.118 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.018 3.746 4.327 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.293 2.534 5.118 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.363 3.110 5.921 1.00 0.00 C ATOM 1208 C VAL A 83 -6.995 2.058 6.826 1.00 0.00 C ATOM 1209 O VAL A 83 -7.460 2.365 7.923 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.449 3.733 5.024 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.510 4.429 5.862 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.825 4.699 4.028 1.00 0.00 C ATOM 0 H VAL A 83 -5.427 2.628 4.111 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.922 3.891 6.540 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.935 2.932 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.266 4.861 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.979 3.706 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.047 5.220 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.606 5.131 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.310 5.495 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.111 4.165 3.401 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.004 0.813 6.361 1.00 0.00 N ATOM 1223 CA ARG A 84 -7.576 -0.286 7.131 1.00 0.00 C ATOM 1224 C ARG A 84 -6.647 -0.711 8.269 1.00 0.00 C ATOM 1225 O ARG A 84 -7.017 -1.536 9.105 1.00 0.00 O ATOM 1226 CB ARG A 84 -7.860 -1.481 6.218 1.00 0.00 C ATOM 1227 CG ARG A 84 -8.864 -1.179 5.116 1.00 0.00 C ATOM 1228 CD ARG A 84 -9.904 -2.283 4.984 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.267 -1.764 5.064 1.00 0.00 N ATOM 1230 CZ ARG A 84 -11.789 -1.216 6.159 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -11.067 -1.114 7.267 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.037 -0.770 6.146 1.00 0.00 N ATOM 0 H ARG A 84 -6.622 0.540 5.456 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.511 0.065 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.925 -1.813 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.233 -2.308 6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.362 -0.233 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.339 -1.058 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.767 -2.798 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.751 -3.021 5.771 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.853 -1.825 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.106 -1.456 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.472 -0.693 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.597 -0.847 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.437 -0.350 6.985 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.442 -0.145 8.301 1.00 0.00 N ATOM 1247 CA GLN A 85 -4.470 -0.472 9.341 1.00 0.00 C ATOM 1248 C GLN A 85 -4.160 0.750 10.202 1.00 0.00 C ATOM 1249 O GLN A 85 -3.711 0.619 11.341 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.173 -1.010 8.727 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.375 -1.790 7.435 1.00 0.00 C ATOM 1252 CD GLN A 85 -2.080 -2.014 6.679 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -1.751 -3.141 6.311 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -1.338 -0.939 6.442 1.00 0.00 N ATOM 0 H GLN A 85 -5.116 0.541 7.620 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.911 -1.245 9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.501 -0.174 8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -2.679 -1.654 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.829 -2.754 7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.076 -1.252 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.649 -0.023 6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.457 -1.029 5.936 1.00 0.00 H new ATOM 1263 N MET A 86 -4.396 1.936 9.649 1.00 0.00 N ATOM 1264 CA MET A 86 -4.135 3.178 10.365 1.00 0.00 C ATOM 1265 C MET A 86 -5.259 3.489 11.348 1.00 0.00 C ATOM 1266 O MET A 86 -5.011 3.930 12.470 1.00 0.00 O ATOM 1267 CB MET A 86 -3.973 4.329 9.371 1.00 0.00 C ATOM 1268 CG MET A 86 -2.595 4.387 8.732 1.00 0.00 C ATOM 1269 SD MET A 86 -2.333 5.896 7.781 1.00 0.00 S ATOM 1270 CE MET A 86 -1.882 5.216 6.187 1.00 0.00 C ATOM 0 H MET A 86 -4.767 2.062 8.707 1.00 0.00 H new ATOM 0 HA MET A 86 -3.211 3.059 10.931 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.725 4.231 8.588 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.168 5.271 9.883 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.835 4.316 9.510 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.465 3.524 8.079 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.452 6.001 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.150 4.420 6.325 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.769 4.812 5.699 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.494 3.256 10.919 1.00 0.00 N ATOM 1281 CA LYS A 87 -7.656 3.511 11.763 1.00 0.00 C ATOM 1282 C LYS A 87 -7.748 2.487 12.890 1.00 0.00 C ATOM 1283 O LYS A 87 -7.959 2.844 14.049 1.00 0.00 O ATOM 1284 CB LYS A 87 -8.935 3.484 10.927 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.276 4.823 10.294 1.00 0.00 C ATOM 1286 CD LYS A 87 -9.580 4.681 8.812 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.016 4.238 8.579 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.127 2.760 8.443 1.00 0.00 N ATOM 0 H LYS A 87 -6.717 2.891 9.993 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.541 4.500 12.206 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.830 2.736 10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.765 3.168 11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.137 5.258 10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.443 5.513 10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.406 5.633 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.898 3.957 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.638 4.574 9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.401 4.715 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.121 2.500 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.554 2.442 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.784 2.305 9.313 1.00 0.00 H new ATOM 1302 N GLU A 88 -7.590 1.212 12.542 1.00 0.00 N ATOM 1303 CA GLU A 88 -7.657 0.129 13.523 1.00 0.00 C ATOM 1304 C GLU A 88 -9.100 -0.146 13.941 1.00 0.00 C ATOM 1305 O GLU A 88 -9.598 -1.260 13.785 1.00 0.00 O ATOM 1306 CB GLU A 88 -6.807 0.461 14.754 1.00 0.00 C ATOM 1307 CG GLU A 88 -5.913 -0.684 15.202 1.00 0.00 C ATOM 1308 CD GLU A 88 -5.735 -0.730 16.707 1.00 0.00 C ATOM 1309 OE1 GLU A 88 -5.169 0.233 17.268 1.00 0.00 O ATOM 1310 OE2 GLU A 88 -6.161 -1.728 17.325 1.00 0.00 O ATOM 0 H GLU A 88 -7.414 0.902 11.586 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.259 -0.770 13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.187 1.330 14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.466 0.740 15.576 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.339 -1.628 14.861 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.937 -0.585 14.727 1.00 0.00 H new ATOM 1317 N ASP A 89 -9.765 0.876 14.476 1.00 0.00 N ATOM 1318 CA ASP A 89 -11.151 0.748 14.920 1.00 0.00 C ATOM 1319 C ASP A 89 -11.235 -0.040 16.223 1.00 0.00 C ATOM 1320 O ASP A 89 -10.442 -0.952 16.461 1.00 0.00 O ATOM 1321 CB ASP A 89 -12.006 0.070 13.844 1.00 0.00 C ATOM 1322 CG ASP A 89 -11.726 0.609 12.455 1.00 0.00 C ATOM 1323 OD1 ASP A 89 -10.794 0.100 11.797 1.00 0.00 O ATOM 1324 OD2 ASP A 89 -12.439 1.541 12.025 1.00 0.00 O ATOM 0 H ASP A 89 -9.365 1.804 14.613 1.00 0.00 H new ATOM 0 HA ASP A 89 -11.538 1.752 15.095 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.818 -1.004 13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.061 0.212 14.080 1.00 0.00 H new ATOM 1329 N ALA A 90 -12.200 0.317 17.064 1.00 0.00 N ATOM 1330 CA ALA A 90 -12.387 -0.356 18.344 1.00 0.00 C ATOM 1331 C ALA A 90 -12.767 -1.819 18.145 1.00 0.00 C ATOM 1332 O ALA A 90 -12.063 -2.693 18.694 1.00 0.00 O ATOM 1333 CB ALA A 90 -13.448 0.360 19.166 1.00 0.00 C ATOM 1334 OXT ALA A 90 -13.765 -2.080 17.441 1.00 0.00 O ATOM 0 H ALA A 90 -12.865 1.069 16.882 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.441 -0.324 18.885 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.578 -0.153 20.119 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.135 1.388 19.347 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.392 0.358 18.622 1.00 0.00 H new TER 1340 ALA A 90 ATOM 1341 N ARG B 115 2.039 -2.598 10.074 1.00 0.00 N ATOM 1342 CA ARG B 115 0.836 -2.229 9.282 1.00 0.00 C ATOM 1343 C ARG B 115 0.602 -0.720 9.302 1.00 0.00 C ATOM 1344 O ARG B 115 0.234 -0.126 8.289 1.00 0.00 O ATOM 1345 CB ARG B 115 -0.377 -2.971 9.855 1.00 0.00 C ATOM 1346 CG ARG B 115 -0.841 -2.448 11.207 1.00 0.00 C ATOM 1347 CD ARG B 115 -1.562 -3.523 12.003 1.00 0.00 C ATOM 1348 NE ARG B 115 -1.205 -3.488 13.419 1.00 0.00 N ATOM 1349 CZ ARG B 115 0.016 -3.744 13.884 1.00 0.00 C ATOM 1350 NH1 ARG B 115 1.000 -4.052 13.047 1.00 0.00 N ATOM 1351 NH2 ARG B 115 0.254 -3.691 15.186 1.00 0.00 N ATOM 0 HA ARG B 115 0.989 -2.518 8.242 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -1.202 -2.899 9.146 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -0.131 -4.029 9.951 1.00 0.00 H new ATOM 0 HG2 ARG B 115 0.018 -2.089 11.774 1.00 0.00 H new ATOM 0 HG3 ARG B 115 -1.505 -1.596 11.060 1.00 0.00 H new ATOM 0 HD2 ARG B 115 -2.639 -3.391 11.897 1.00 0.00 H new ATOM 0 HD3 ARG B 115 -1.319 -4.503 11.592 1.00 0.00 H new ATOM 0 HE ARG B 115 -1.935 -3.253 14.092 1.00 0.00 H new ATOM 0 HH11 ARG B 115 0.822 -4.093 12.044 1.00 0.00 H new ATOM 0 HH12 ARG B 115 1.934 -4.247 13.408 1.00 0.00 H new ATOM 0 HH21 ARG B 115 -0.498 -3.454 15.833 1.00 0.00 H new ATOM 0 HH22 ARG B 115 1.190 -3.887 15.542 1.00 0.00 H new ATOM 1367 N MET B 116 0.825 -0.102 10.458 1.00 0.00 N ATOM 1368 CA MET B 116 0.643 1.338 10.598 1.00 0.00 C ATOM 1369 C MET B 116 1.977 2.062 10.469 1.00 0.00 C ATOM 1370 O MET B 116 3.039 1.455 10.607 1.00 0.00 O ATOM 1371 CB MET B 116 -0.004 1.672 11.942 1.00 0.00 C ATOM 1372 CG MET B 116 -0.300 3.153 12.118 1.00 0.00 C ATOM 1373 SD MET B 116 -1.462 3.475 13.459 1.00 0.00 S ATOM 1374 CE MET B 116 -0.995 5.142 13.919 1.00 0.00 C ATOM 0 H MET B 116 1.131 -0.575 11.309 1.00 0.00 H new ATOM 0 HA MET B 116 -0.018 1.674 9.799 1.00 0.00 H new ATOM 0 HB2 MET B 116 -0.932 1.109 12.040 1.00 0.00 H new ATOM 0 HB3 MET B 116 0.654 1.343 12.746 1.00 0.00 H new ATOM 0 HG2 MET B 116 0.631 3.685 12.314 1.00 0.00 H new ATOM 0 HG3 MET B 116 -0.705 3.552 11.188 1.00 0.00 H new ATOM 0 HE1 MET B 116 -1.626 5.483 14.740 1.00 0.00 H new ATOM 0 HE2 MET B 116 0.048 5.154 14.234 1.00 0.00 H new ATOM 0 HE3 MET B 116 -1.123 5.805 13.063 1.00 0.00 H new ATOM 1384 N SER B 117 1.918 3.363 10.198 1.00 0.00 N ATOM 1385 CA SER B 117 3.127 4.165 10.046 1.00 0.00 C ATOM 1386 C SER B 117 4.075 3.520 9.042 1.00 0.00 C ATOM 1387 O SER B 117 5.296 3.607 9.175 1.00 0.00 O ATOM 1388 CB SER B 117 3.827 4.338 11.394 1.00 0.00 C ATOM 1389 OG SER B 117 4.607 3.200 11.716 1.00 0.00 O ATOM 0 H SER B 117 1.048 3.883 10.080 1.00 0.00 H new ATOM 0 HA SER B 117 2.840 5.148 9.672 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.464 5.222 11.365 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.084 4.505 12.174 1.00 0.00 H new ATOM 0 HG SER B 117 4.220 2.407 11.290 1.00 0.00 H new ATOM 1395 N ALA B 118 3.497 2.876 8.033 1.00 0.00 N ATOM 1396 CA ALA B 118 4.279 2.216 6.995 1.00 0.00 C ATOM 1397 C ALA B 118 4.857 3.228 6.006 1.00 0.00 C ATOM 1398 O ALA B 118 5.539 2.852 5.053 1.00 0.00 O ATOM 1399 CB ALA B 118 3.420 1.191 6.268 1.00 0.00 C ATOM 0 H ALA B 118 2.487 2.797 7.913 1.00 0.00 H new ATOM 0 HA ALA B 118 5.115 1.705 7.472 1.00 0.00 H new ATOM 0 HB1 ALA B 118 4.013 0.703 5.494 1.00 0.00 H new ATOM 0 HB2 ALA B 118 3.065 0.444 6.978 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.566 1.691 5.810 1.00 0.00 H new ATOM 1405 N ASP B 119 4.583 4.514 6.236 1.00 0.00 N ATOM 1406 CA ASP B 119 5.077 5.576 5.366 1.00 0.00 C ATOM 1407 C ASP B 119 6.558 5.390 5.045 1.00 0.00 C ATOM 1408 O ASP B 119 7.038 5.847 4.009 1.00 0.00 O ATOM 1409 CB ASP B 119 4.855 6.941 6.021 1.00 0.00 C ATOM 1410 CG ASP B 119 4.988 8.084 5.034 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.292 8.058 3.997 1.00 0.00 O ATOM 1412 OD2 ASP B 119 5.787 9.007 5.299 1.00 0.00 O ATOM 0 H ASP B 119 4.020 4.843 7.020 1.00 0.00 H new ATOM 0 HA ASP B 119 4.519 5.527 4.431 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.863 6.968 6.472 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.576 7.075 6.828 1.00 0.00 H new ATOM 1417 N ALA B 120 7.282 4.717 5.939 1.00 0.00 N ATOM 1418 CA ALA B 120 8.709 4.476 5.741 1.00 0.00 C ATOM 1419 C ALA B 120 8.994 3.962 4.334 1.00 0.00 C ATOM 1420 O ALA B 120 9.522 4.692 3.494 1.00 0.00 O ATOM 1421 CB ALA B 120 9.230 3.498 6.784 1.00 0.00 C ATOM 0 H ALA B 120 6.904 4.331 6.804 1.00 0.00 H new ATOM 0 HA ALA B 120 9.231 5.426 5.860 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.295 3.328 6.624 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.074 3.912 7.780 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.695 2.553 6.696 1.00 0.00 H new ATOM 1427 N MET B 121 8.632 2.707 4.071 1.00 0.00 N ATOM 1428 CA MET B 121 8.844 2.120 2.751 1.00 0.00 C ATOM 1429 C MET B 121 8.285 3.044 1.679 1.00 0.00 C ATOM 1430 O MET B 121 8.895 3.245 0.629 1.00 0.00 O ATOM 1431 CB MET B 121 8.177 0.741 2.659 1.00 0.00 C ATOM 1432 CG MET B 121 7.695 0.379 1.259 1.00 0.00 C ATOM 1433 SD MET B 121 7.052 -1.302 1.156 1.00 0.00 S ATOM 1434 CE MET B 121 5.608 -1.173 2.206 1.00 0.00 C ATOM 0 H MET B 121 8.194 2.083 4.749 1.00 0.00 H new ATOM 0 HA MET B 121 9.915 1.995 2.593 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.884 -0.017 2.996 1.00 0.00 H new ATOM 0 HB3 MET B 121 7.329 0.712 3.343 1.00 0.00 H new ATOM 0 HG2 MET B 121 6.918 1.080 0.954 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.520 0.492 0.555 1.00 0.00 H new ATOM 0 HE1 MET B 121 5.129 -2.149 2.288 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.908 -0.832 3.197 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.906 -0.460 1.774 1.00 0.00 H new ATOM 1444 N LEU B 122 7.118 3.606 1.963 1.00 0.00 N ATOM 1445 CA LEU B 122 6.462 4.515 1.041 1.00 0.00 C ATOM 1446 C LEU B 122 7.357 5.721 0.768 1.00 0.00 C ATOM 1447 O LEU B 122 7.328 6.296 -0.318 1.00 0.00 O ATOM 1448 CB LEU B 122 5.111 4.961 1.613 1.00 0.00 C ATOM 1449 CG LEU B 122 3.999 3.899 1.608 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.547 2.518 1.952 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.893 4.285 2.580 1.00 0.00 C ATOM 0 H LEU B 122 6.606 3.445 2.830 1.00 0.00 H new ATOM 0 HA LEU B 122 6.283 3.998 0.098 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.265 5.294 2.639 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.765 5.825 1.046 1.00 0.00 H new ATOM 0 HG LEU B 122 3.586 3.854 0.600 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.735 1.791 1.940 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.301 2.233 1.218 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.997 2.542 2.944 1.00 0.00 H new ATOM 0 HD21 LEU B 122 2.113 3.523 2.565 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.304 4.364 3.586 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.468 5.245 2.286 1.00 0.00 H new ATOM 1463 N ARG B 123 8.163 6.091 1.761 1.00 0.00 N ATOM 1464 CA ARG B 123 9.081 7.215 1.625 1.00 0.00 C ATOM 1465 C ARG B 123 10.437 6.748 1.097 1.00 0.00 C ATOM 1466 O ARG B 123 11.207 7.537 0.549 1.00 0.00 O ATOM 1467 CB ARG B 123 9.263 7.918 2.972 1.00 0.00 C ATOM 1468 CG ARG B 123 9.609 9.392 2.848 1.00 0.00 C ATOM 1469 CD ARG B 123 10.394 9.884 4.052 1.00 0.00 C ATOM 1470 NE ARG B 123 10.240 11.322 4.257 1.00 0.00 N ATOM 1471 CZ ARG B 123 11.069 12.060 4.990 1.00 0.00 C ATOM 1472 NH1 ARG B 123 12.112 11.501 5.592 1.00 0.00 N ATOM 1473 NH2 ARG B 123 10.855 13.362 5.124 1.00 0.00 N ATOM 0 H ARG B 123 8.197 5.627 2.669 1.00 0.00 H new ATOM 0 HA ARG B 123 8.653 7.918 0.910 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.346 7.816 3.552 1.00 0.00 H new ATOM 0 HB3 ARG B 123 10.051 7.414 3.531 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.192 9.555 1.941 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.693 9.974 2.747 1.00 0.00 H new ATOM 0 HD2 ARG B 123 10.060 9.353 4.944 1.00 0.00 H new ATOM 0 HD3 ARG B 123 11.450 9.648 3.917 1.00 0.00 H new ATOM 0 HE ARG B 123 9.450 11.788 3.811 1.00 0.00 H new ATOM 0 HH11 ARG B 123 12.281 10.500 5.494 1.00 0.00 H new ATOM 0 HH12 ARG B 123 12.744 12.073 6.153 1.00 0.00 H new ATOM 0 HH21 ARG B 123 10.055 13.797 4.665 1.00 0.00 H new ATOM 0 HH22 ARG B 123 11.491 13.928 5.686 1.00 0.00 H new ATOM 1487 N ALA B 124 10.723 5.459 1.275 1.00 0.00 N ATOM 1488 CA ALA B 124 11.986 4.876 0.832 1.00 0.00 C ATOM 1489 C ALA B 124 12.271 5.178 -0.635 1.00 0.00 C ATOM 1490 O ALA B 124 13.153 5.975 -0.957 1.00 0.00 O ATOM 1491 CB ALA B 124 11.977 3.371 1.061 1.00 0.00 C ATOM 0 H ALA B 124 10.092 4.796 1.726 1.00 0.00 H new ATOM 0 HA ALA B 124 12.781 5.331 1.423 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.924 2.946 0.727 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.842 3.165 2.123 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.159 2.922 0.497 1.00 0.00 H new ATOM 1497 N LEU B 125 11.530 4.523 -1.520 1.00 0.00 N ATOM 1498 CA LEU B 125 11.709 4.703 -2.954 1.00 0.00 C ATOM 1499 C LEU B 125 11.115 6.025 -3.441 1.00 0.00 C ATOM 1500 O LEU B 125 11.275 6.391 -4.605 1.00 0.00 O ATOM 1501 CB LEU B 125 11.080 3.530 -3.703 1.00 0.00 C ATOM 1502 CG LEU B 125 11.520 2.153 -3.211 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.471 1.109 -3.547 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.868 1.776 -3.810 1.00 0.00 C ATOM 0 H LEU B 125 10.797 3.860 -1.268 1.00 0.00 H new ATOM 0 HA LEU B 125 12.779 4.734 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU B 125 9.996 3.602 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.325 3.619 -4.762 1.00 0.00 H new ATOM 0 HG LEU B 125 11.629 2.192 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.801 0.134 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.529 1.372 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.329 1.070 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.165 0.792 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU B 125 12.790 1.754 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.616 2.512 -3.515 1.00 0.00 H new ATOM 1516 N LEU B 126 10.433 6.740 -2.548 1.00 0.00 N ATOM 1517 CA LEU B 126 9.826 8.019 -2.904 1.00 0.00 C ATOM 1518 C LEU B 126 10.876 8.994 -3.427 1.00 0.00 C ATOM 1519 O LEU B 126 10.855 9.376 -4.597 1.00 0.00 O ATOM 1520 CB LEU B 126 9.113 8.622 -1.694 1.00 0.00 C ATOM 1521 CG LEU B 126 7.919 9.521 -2.028 1.00 0.00 C ATOM 1522 CD1 LEU B 126 7.341 10.130 -0.762 1.00 0.00 C ATOM 1523 CD2 LEU B 126 8.330 10.610 -3.007 1.00 0.00 C ATOM 0 H LEU B 126 10.288 6.457 -1.579 1.00 0.00 H new ATOM 0 HA LEU B 126 9.098 7.839 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU B 126 8.769 7.811 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU B 126 9.834 9.201 -1.117 1.00 0.00 H new ATOM 0 HG LEU B 126 7.148 8.911 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.494 10.766 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU B 126 7.009 9.335 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU B 126 8.105 10.727 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.469 11.239 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU B 126 9.118 11.219 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.697 10.153 -3.926 1.00 0.00 H new ATOM 1535 N GLY B 127 11.794 9.393 -2.552 1.00 0.00 N ATOM 1536 CA GLY B 127 12.839 10.320 -2.943 1.00 0.00 C ATOM 1537 C GLY B 127 14.195 9.932 -2.388 1.00 0.00 C ATOM 1538 O GLY B 127 14.404 9.945 -1.174 1.00 0.00 O ATOM 0 H GLY B 127 11.832 9.090 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY B 127 12.894 10.363 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY B 127 12.581 11.321 -2.597 1.00 0.00 H new ATOM 1542 N SER B 128 15.119 9.584 -3.278 1.00 0.00 N ATOM 1543 CA SER B 128 16.463 9.190 -2.870 1.00 0.00 C ATOM 1544 C SER B 128 17.354 10.415 -2.676 1.00 0.00 C ATOM 1545 O SER B 128 18.397 10.545 -3.316 1.00 0.00 O ATOM 1546 CB SER B 128 17.079 8.252 -3.911 1.00 0.00 C ATOM 1547 OG SER B 128 17.167 8.882 -5.176 1.00 0.00 O ATOM 0 H SER B 128 14.962 9.567 -4.286 1.00 0.00 H new ATOM 0 HA SER B 128 16.389 8.665 -1.918 1.00 0.00 H new ATOM 0 HB2 SER B 128 18.072 7.944 -3.585 1.00 0.00 H new ATOM 0 HB3 SER B 128 16.476 7.348 -3.993 1.00 0.00 H new ATOM 0 HG SER B 128 17.754 9.664 -5.112 1.00 0.00 H new ATOM 1553 N LYS B 129 16.933 11.310 -1.788 1.00 0.00 N ATOM 1554 CA LYS B 129 17.692 12.524 -1.509 1.00 0.00 C ATOM 1555 C LYS B 129 17.943 12.676 -0.012 1.00 0.00 C ATOM 1556 O LYS B 129 19.056 12.988 0.413 1.00 0.00 O ATOM 1557 CB LYS B 129 16.948 13.750 -2.044 1.00 0.00 C ATOM 1558 CG LYS B 129 17.827 14.684 -2.863 1.00 0.00 C ATOM 1559 CD LYS B 129 17.208 14.994 -4.218 1.00 0.00 C ATOM 1560 CE LYS B 129 18.242 14.933 -5.330 1.00 0.00 C ATOM 1561 NZ LYS B 129 18.609 13.530 -5.671 1.00 0.00 N ATOM 0 H LYS B 129 16.071 11.218 -1.250 1.00 0.00 H new ATOM 0 HA LYS B 129 18.655 12.446 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS B 129 16.112 13.418 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS B 129 16.526 14.304 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS B 129 17.983 15.612 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS B 129 18.807 14.229 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS B 129 16.408 14.283 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS B 129 16.756 15.985 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS B 129 17.851 15.432 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS B 129 19.135 15.478 -5.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 19.316 13.532 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 19.006 13.061 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 17.761 13.016 -5.986 1.00 0.00 H new ATOM 1575 N HIS B 130 16.901 12.454 0.783 1.00 0.00 N ATOM 1576 CA HIS B 130 17.008 12.567 2.233 1.00 0.00 C ATOM 1577 C HIS B 130 16.870 11.201 2.896 1.00 0.00 C ATOM 1578 O HIS B 130 17.812 10.698 3.507 1.00 0.00 O ATOM 1579 CB HIS B 130 15.938 13.520 2.771 1.00 0.00 C ATOM 1580 CG HIS B 130 16.408 14.360 3.919 1.00 0.00 C ATOM 1581 ND1 HIS B 130 15.616 14.658 5.008 1.00 0.00 N ATOM 1582 CD2 HIS B 130 17.598 14.966 4.145 1.00 0.00 C ATOM 1583 CE1 HIS B 130 16.298 15.411 5.852 1.00 0.00 C ATOM 1584 NE2 HIS B 130 17.503 15.612 5.353 1.00 0.00 N ATOM 0 H HIS B 130 15.973 12.195 0.447 1.00 0.00 H new ATOM 0 HA HIS B 130 17.994 12.968 2.470 1.00 0.00 H new ATOM 0 HB2 HIS B 130 15.607 14.174 1.964 1.00 0.00 H new ATOM 0 HB3 HIS B 130 15.071 12.939 3.087 1.00 0.00 H new ATOM 0 HD2 HIS B 130 18.461 14.945 3.496 1.00 0.00 H new ATOM 0 HE1 HIS B 130 15.931 15.797 6.792 1.00 0.00 H new ATOM 0 HE2 HIS B 130 18.243 16.158 5.793 1.00 0.00 H new ATOM 1593 N LYS B 131 15.688 10.605 2.772 1.00 0.00 N ATOM 1594 CA LYS B 131 15.426 9.296 3.359 1.00 0.00 C ATOM 1595 C LYS B 131 15.605 9.335 4.874 1.00 0.00 C ATOM 1596 O LYS B 131 15.713 8.250 5.484 1.00 0.00 O ATOM 1597 CB LYS B 131 16.356 8.245 2.750 1.00 0.00 C ATOM 1598 CG LYS B 131 15.773 7.552 1.531 1.00 0.00 C ATOM 1599 CD LYS B 131 16.206 6.096 1.456 1.00 0.00 C ATOM 1600 CE LYS B 131 15.181 5.175 2.099 1.00 0.00 C ATOM 1601 NZ LYS B 131 15.816 4.200 3.029 1.00 0.00 N ATOM 1602 OXT LYS B 131 15.637 10.449 5.438 1.00 0.00 O ATOM 0 H LYS B 131 14.897 11.008 2.270 1.00 0.00 H new ATOM 0 HA LYS B 131 14.393 9.026 3.140 1.00 0.00 H new ATOM 0 HB2 LYS B 131 17.296 8.721 2.472 1.00 0.00 H new ATOM 0 HB3 LYS B 131 16.589 7.496 3.507 1.00 0.00 H new ATOM 0 HG2 LYS B 131 14.685 7.608 1.565 1.00 0.00 H new ATOM 0 HG3 LYS B 131 16.090 8.074 0.628 1.00 0.00 H new ATOM 0 HD2 LYS B 131 16.349 5.811 0.414 1.00 0.00 H new ATOM 0 HD3 LYS B 131 17.168 5.975 1.954 1.00 0.00 H new ATOM 0 HE2 LYS B 131 14.448 5.771 2.643 1.00 0.00 H new ATOM 0 HE3 LYS B 131 14.640 4.636 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 15.084 3.591 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 16.497 3.614 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 16.311 4.714 3.785 1.00 0.00 H new TER 1616 LYS B 131 HETATM 1617 CA CA A 132 -8.788 -6.329 -4.353 1.00 0.00 CA HETATM 1618 CA CA A 133 2.126 -6.062 -10.050 1.00 0.00 CA