USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 54 HIS : no HD1:sc= -1.68 K(o=-0.88,f=-3.2!) USER MOD Set 1.2: A 58 SER OG : rot -92:sc= 0.8 USER MOD Set 2.1: A 32 THR OG1 : rot -124:sc= 1.28 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 1.02 USER MOD Single : A 33 SER OG : rot 177:sc= -0.838 USER MOD Single : A 35 GLN : amide:sc= -2.55 K(o=-2.5,f=-6.4!) USER MOD Single : A 38 SER OG : rot 51:sc= 1.2 USER MOD Single : A 41 HIS : no HE2:sc= -2.45! C(o=-2.4!,f=-3.7!) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.252 F(o=-2.7!,f=-0.25) USER MOD Single : A 46 SER OG : rot 90:sc= 0.0794 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -5.77 K(o=-5.8,f=-19!) USER MOD Single : A 69 TYR OH : rot 15:sc= -0.214 USER MOD Single : A 70 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.8!) USER MOD Single : A 71 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.19) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.21) USER MOD Single : A 76 THR OG1 : rot 69:sc= -3.42! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -95:sc= -0.449 USER MOD Single : A 82 MET CE :methyl 174:sc= -1.01 (180deg=-1.07) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.2 K(o=-2.2,f=-5.2!) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -2.48 F(o=-3.7!,f=-2.5) USER MOD Single : A 103 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-2.8!) USER MOD Single : A 105 ASN : amide:sc= -2.9 K(o=-2.9,f=-8!) USER MOD Single : A 109 MET CE :methyl -174:sc= -8.83! (180deg=-8.92!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 64:sc= 1.16 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -177:sc= -1.17 (180deg=-1.21) USER MOD Single : A 124 GLN : amide:sc= 0.537 K(o=0.54,f=-0.0015) USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.577 F(o=-1.9,f=-0.58) USER MOD Single : A 127 MET CE :methyl -149:sc= -0.586 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.538 10.943 -7.409 1.00 0.00 N ATOM 44 CA THR A 32 -15.690 10.315 -6.774 1.00 0.00 C ATOM 45 C THR A 32 -15.291 9.668 -5.452 1.00 0.00 C ATOM 46 O THR A 32 -14.247 9.023 -5.356 1.00 0.00 O ATOM 47 CB THR A 32 -16.302 9.267 -7.704 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.232 8.458 -7.006 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.273 8.349 -8.328 1.00 0.00 C ATOM 0 HA THR A 32 -16.432 11.088 -6.573 1.00 0.00 H new ATOM 0 HB THR A 32 -16.790 9.834 -8.497 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.983 7.515 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.773 7.629 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.568 8.938 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.736 7.818 -7.543 1.00 0.00 H new ATOM 57 N SER A 33 -16.129 9.844 -4.435 1.00 0.00 N ATOM 58 CA SER A 33 -15.863 9.276 -3.118 1.00 0.00 C ATOM 59 C SER A 33 -15.633 7.769 -3.206 1.00 0.00 C ATOM 60 O SER A 33 -14.948 7.186 -2.366 1.00 0.00 O ATOM 61 CB SER A 33 -17.026 9.570 -2.168 1.00 0.00 C ATOM 62 OG SER A 33 -17.149 10.961 -1.927 1.00 0.00 O ATOM 0 H SER A 33 -16.998 10.375 -4.498 1.00 0.00 H new ATOM 0 HA SER A 33 -14.957 9.740 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.954 9.188 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.870 9.047 -1.225 1.00 0.00 H new ATOM 0 HG SER A 33 -17.929 11.127 -1.357 1.00 0.00 H new ATOM 68 N SER A 34 -16.210 7.145 -4.229 1.00 0.00 N ATOM 69 CA SER A 34 -16.067 5.708 -4.425 1.00 0.00 C ATOM 70 C SER A 34 -14.648 5.356 -4.861 1.00 0.00 C ATOM 71 O SER A 34 -14.115 4.314 -4.483 1.00 0.00 O ATOM 72 CB SER A 34 -17.071 5.213 -5.468 1.00 0.00 C ATOM 73 OG SER A 34 -16.858 5.842 -6.720 1.00 0.00 O ATOM 0 H SER A 34 -16.780 7.612 -4.934 1.00 0.00 H new ATOM 0 HA SER A 34 -16.268 5.215 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.981 4.133 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.086 5.414 -5.125 1.00 0.00 H new ATOM 0 HG SER A 34 -17.511 5.508 -7.369 1.00 0.00 H new ATOM 79 N GLN A 35 -14.042 6.228 -5.660 1.00 0.00 N ATOM 80 CA GLN A 35 -12.686 6.001 -6.146 1.00 0.00 C ATOM 81 C GLN A 35 -11.673 6.122 -5.015 1.00 0.00 C ATOM 82 O GLN A 35 -10.740 5.325 -4.917 1.00 0.00 O ATOM 83 CB GLN A 35 -12.348 6.987 -7.261 1.00 0.00 C ATOM 84 CG GLN A 35 -10.926 6.855 -7.785 1.00 0.00 C ATOM 85 CD GLN A 35 -10.092 8.095 -7.528 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.157 8.689 -6.452 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.302 8.492 -8.519 1.00 0.00 N ATOM 0 H GLN A 35 -14.467 7.097 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.636 4.987 -6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.045 6.841 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.497 8.002 -6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.448 5.996 -7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.955 6.657 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.280 7.969 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.717 9.320 -8.405 1.00 0.00 H new ATOM 96 N LEU A 36 -11.863 7.121 -4.160 1.00 0.00 N ATOM 97 CA LEU A 36 -10.965 7.340 -3.033 1.00 0.00 C ATOM 98 C LEU A 36 -10.816 6.062 -2.217 1.00 0.00 C ATOM 99 O LEU A 36 -9.704 5.637 -1.898 1.00 0.00 O ATOM 100 CB LEU A 36 -11.493 8.469 -2.146 1.00 0.00 C ATOM 101 CG LEU A 36 -11.782 9.781 -2.877 1.00 0.00 C ATOM 102 CD1 LEU A 36 -12.427 10.784 -1.935 1.00 0.00 C ATOM 103 CD2 LEU A 36 -10.503 10.350 -3.470 1.00 0.00 C ATOM 0 H LEU A 36 -12.630 7.791 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.987 7.624 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.408 8.132 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.766 8.662 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.478 9.578 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.626 11.712 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.364 10.376 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.755 10.984 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.725 11.284 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.785 10.539 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.080 9.636 -4.177 1.00 0.00 H new ATOM 115 N LEU A 37 -11.947 5.447 -1.893 1.00 0.00 N ATOM 116 CA LEU A 37 -11.946 4.212 -1.126 1.00 0.00 C ATOM 117 C LEU A 37 -11.665 3.013 -2.028 1.00 0.00 C ATOM 118 O LEU A 37 -11.215 1.968 -1.558 1.00 0.00 O ATOM 119 CB LEU A 37 -13.282 4.029 -0.400 1.00 0.00 C ATOM 120 CG LEU A 37 -14.472 3.690 -1.299 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.660 2.182 -1.389 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.738 4.357 -0.783 1.00 0.00 C ATOM 0 H LEU A 37 -12.875 5.785 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.151 4.276 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.169 3.237 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.509 4.945 0.146 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.267 4.071 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.511 1.959 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.761 1.728 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.843 1.778 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.574 4.104 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.948 4.007 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.601 5.438 -0.771 1.00 0.00 H new ATOM 134 N SER A 38 -11.922 3.163 -3.329 1.00 0.00 N ATOM 135 CA SER A 38 -11.680 2.078 -4.272 1.00 0.00 C ATOM 136 C SER A 38 -10.210 1.676 -4.257 1.00 0.00 C ATOM 137 O SER A 38 -9.873 0.505 -4.439 1.00 0.00 O ATOM 138 CB SER A 38 -12.090 2.490 -5.685 1.00 0.00 C ATOM 139 OG SER A 38 -13.491 2.379 -5.866 1.00 0.00 O ATOM 0 H SER A 38 -12.293 4.016 -3.747 1.00 0.00 H new ATOM 0 HA SER A 38 -12.284 1.224 -3.967 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.777 3.517 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.576 1.862 -6.413 1.00 0.00 H new ATOM 0 HG SER A 38 -13.953 2.847 -5.139 1.00 0.00 H new ATOM 145 N VAL A 39 -9.338 2.655 -4.040 1.00 0.00 N ATOM 146 CA VAL A 39 -7.907 2.400 -4.004 1.00 0.00 C ATOM 147 C VAL A 39 -7.459 1.947 -2.620 1.00 0.00 C ATOM 148 O VAL A 39 -6.660 1.023 -2.498 1.00 0.00 O ATOM 149 CB VAL A 39 -7.098 3.638 -4.428 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.229 3.864 -5.925 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.542 4.868 -3.651 1.00 0.00 C ATOM 0 H VAL A 39 -9.599 3.629 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.714 1.599 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.048 3.461 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.652 4.743 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.852 2.992 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.277 4.019 -6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.955 5.730 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.598 5.057 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.391 4.699 -2.585 1.00 0.00 H new ATOM 161 N ARG A 40 -7.984 2.582 -1.573 1.00 0.00 N ATOM 162 CA ARG A 40 -7.622 2.197 -0.211 1.00 0.00 C ATOM 163 C ARG A 40 -7.990 0.733 0.029 1.00 0.00 C ATOM 164 O ARG A 40 -7.390 0.059 0.866 1.00 0.00 O ATOM 165 CB ARG A 40 -8.305 3.114 0.819 1.00 0.00 C ATOM 166 CG ARG A 40 -8.657 2.434 2.137 1.00 0.00 C ATOM 167 CD ARG A 40 -10.050 1.827 2.100 1.00 0.00 C ATOM 168 NE ARG A 40 -10.333 1.036 3.296 1.00 0.00 N ATOM 169 CZ ARG A 40 -11.559 0.799 3.759 1.00 0.00 C ATOM 170 NH1 ARG A 40 -12.622 1.287 3.131 1.00 0.00 N ATOM 171 NH2 ARG A 40 -11.722 0.070 4.855 1.00 0.00 N ATOM 0 H ARG A 40 -8.650 3.352 -1.639 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.545 2.311 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.649 3.960 1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.217 3.518 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.926 1.655 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.597 3.159 2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.790 2.622 2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.148 1.196 1.216 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.543 0.641 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.503 1.848 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.558 1.101 3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.909 -0.308 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.660 -0.113 5.211 1.00 0.00 H new ATOM 185 N HIS A 41 -8.972 0.246 -0.727 1.00 0.00 N ATOM 186 CA HIS A 41 -9.413 -1.137 -0.615 1.00 0.00 C ATOM 187 C HIS A 41 -8.448 -2.061 -1.354 1.00 0.00 C ATOM 188 O HIS A 41 -8.156 -3.166 -0.896 1.00 0.00 O ATOM 189 CB HIS A 41 -10.823 -1.293 -1.189 1.00 0.00 C ATOM 190 CG HIS A 41 -11.911 -1.135 -0.172 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.551 -2.205 0.418 1.00 0.00 N ATOM 192 CD2 HIS A 41 -12.480 -0.024 0.354 1.00 0.00 C ATOM 193 CE1 HIS A 41 -13.466 -1.758 1.260 1.00 0.00 C ATOM 194 NE2 HIS A 41 -13.442 -0.439 1.240 1.00 0.00 N ATOM 0 H HIS A 41 -9.477 0.793 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.428 -1.411 0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.967 -0.556 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.910 -2.276 -1.651 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.349 -3.188 0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.224 0.999 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.122 -2.369 1.862 1.00 0.00 H new ATOM 203 N GLN A 42 -7.958 -1.596 -2.501 1.00 0.00 N ATOM 204 CA GLN A 42 -7.026 -2.376 -3.308 1.00 0.00 C ATOM 205 C GLN A 42 -5.602 -2.258 -2.767 1.00 0.00 C ATOM 206 O GLN A 42 -4.804 -3.188 -2.884 1.00 0.00 O ATOM 207 CB GLN A 42 -7.085 -1.922 -4.775 1.00 0.00 C ATOM 208 CG GLN A 42 -6.206 -0.721 -5.098 1.00 0.00 C ATOM 209 CD GLN A 42 -4.910 -1.113 -5.780 1.00 0.00 C ATOM 210 OE1 GLN A 42 -3.799 -0.973 -5.065 1.00 0.00 O flip ATOM 211 NE2 GLN A 42 -4.906 -1.538 -6.935 1.00 0.00 N flip ATOM 0 H GLN A 42 -8.191 -0.683 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.320 -3.424 -3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.789 -2.755 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.117 -1.679 -5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.757 -0.035 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.979 -0.183 -4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.783 -1.630 -7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.026 -1.799 -7.379 1.00 0.00 H new ATOM 220 N LEU A 43 -5.291 -1.108 -2.176 1.00 0.00 N ATOM 221 CA LEU A 43 -3.965 -0.867 -1.618 1.00 0.00 C ATOM 222 C LEU A 43 -3.756 -1.689 -0.350 1.00 0.00 C ATOM 223 O LEU A 43 -2.896 -2.568 -0.302 1.00 0.00 O ATOM 224 CB LEU A 43 -3.786 0.628 -1.308 1.00 0.00 C ATOM 225 CG LEU A 43 -2.453 1.276 -1.735 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.788 1.964 -0.550 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.502 0.258 -2.357 1.00 0.00 C ATOM 0 H LEU A 43 -5.940 -0.328 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.222 -1.171 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.598 1.174 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.902 0.768 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.683 2.023 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.849 2.415 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.449 2.739 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.590 1.231 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.575 0.754 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.284 -0.527 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.966 -0.182 -3.239 1.00 0.00 H new ATOM 239 N ALA A 44 -4.549 -1.392 0.674 1.00 0.00 N ATOM 240 CA ALA A 44 -4.458 -2.096 1.949 1.00 0.00 C ATOM 241 C ALA A 44 -4.508 -3.610 1.755 1.00 0.00 C ATOM 242 O ALA A 44 -3.820 -4.357 2.449 1.00 0.00 O ATOM 243 CB ALA A 44 -5.574 -1.646 2.879 1.00 0.00 C ATOM 0 H ALA A 44 -5.265 -0.666 0.646 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.497 -1.849 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.495 -2.179 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.489 -0.574 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.539 -1.862 2.421 1.00 0.00 H new ATOM 249 N GLU A 45 -5.329 -4.054 0.809 1.00 0.00 N ATOM 250 CA GLU A 45 -5.469 -5.478 0.526 1.00 0.00 C ATOM 251 C GLU A 45 -4.151 -6.071 0.036 1.00 0.00 C ATOM 252 O GLU A 45 -3.623 -7.012 0.628 1.00 0.00 O ATOM 253 CB GLU A 45 -6.564 -5.707 -0.518 1.00 0.00 C ATOM 254 CG GLU A 45 -7.926 -6.010 0.085 1.00 0.00 C ATOM 255 CD GLU A 45 -8.768 -6.906 -0.801 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.189 -7.621 -1.646 1.00 0.00 O ATOM 257 OE2 GLU A 45 -10.008 -6.893 -0.651 1.00 0.00 O ATOM 0 H GLU A 45 -5.907 -3.449 0.226 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.748 -5.980 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.644 -4.822 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.270 -6.534 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.792 -6.487 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.458 -5.075 0.261 1.00 0.00 H new ATOM 264 N SER A 46 -3.627 -5.515 -1.051 1.00 0.00 N ATOM 265 CA SER A 46 -2.372 -5.988 -1.624 1.00 0.00 C ATOM 266 C SER A 46 -1.195 -5.671 -0.706 1.00 0.00 C ATOM 267 O SER A 46 -0.190 -6.382 -0.701 1.00 0.00 O ATOM 268 CB SER A 46 -2.146 -5.356 -2.999 1.00 0.00 C ATOM 269 OG SER A 46 -3.196 -5.688 -3.891 1.00 0.00 O ATOM 0 H SER A 46 -4.052 -4.736 -1.553 1.00 0.00 H new ATOM 0 HA SER A 46 -2.439 -7.070 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.079 -4.273 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.195 -5.698 -3.408 1.00 0.00 H new ATOM 0 HG SER A 46 -3.905 -5.014 -3.828 1.00 0.00 H new ATOM 275 N ALA A 47 -1.324 -4.598 0.068 1.00 0.00 N ATOM 276 CA ALA A 47 -0.270 -4.188 0.987 1.00 0.00 C ATOM 277 C ALA A 47 -0.099 -5.199 2.117 1.00 0.00 C ATOM 278 O ALA A 47 -0.504 -4.950 3.252 1.00 0.00 O ATOM 279 CB ALA A 47 -0.571 -2.807 1.551 1.00 0.00 C ATOM 0 H ALA A 47 -2.148 -3.997 0.077 1.00 0.00 H new ATOM 0 HA ALA A 47 0.666 -4.146 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.224 -2.513 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.633 -2.086 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.520 -2.831 2.086 1.00 0.00 H new ATOM 285 N GLY A 48 0.503 -6.341 1.797 1.00 0.00 N ATOM 286 CA GLY A 48 0.717 -7.372 2.797 1.00 0.00 C ATOM 287 C GLY A 48 1.027 -8.723 2.181 1.00 0.00 C ATOM 288 O GLY A 48 0.432 -9.104 1.173 1.00 0.00 O ATOM 0 H GLY A 48 0.846 -6.571 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.539 -7.076 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.171 -7.457 3.423 1.00 0.00 H new ATOM 292 N LEU A 49 1.958 -9.450 2.791 1.00 0.00 N ATOM 293 CA LEU A 49 2.343 -10.768 2.297 1.00 0.00 C ATOM 294 C LEU A 49 1.370 -11.837 2.791 1.00 0.00 C ATOM 295 O LEU A 49 0.904 -11.780 3.928 1.00 0.00 O ATOM 296 CB LEU A 49 3.766 -11.110 2.748 1.00 0.00 C ATOM 297 CG LEU A 49 4.864 -10.191 2.204 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.239 -10.753 2.532 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.711 -10.001 0.702 1.00 0.00 C ATOM 0 H LEU A 49 2.459 -9.149 3.627 1.00 0.00 H new ATOM 0 HA LEU A 49 2.311 -10.745 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.800 -11.084 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.989 -12.133 2.446 1.00 0.00 H new ATOM 0 HG LEU A 49 4.764 -9.217 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.007 -10.088 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.350 -10.836 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.346 -11.739 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.501 -9.345 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.782 -10.968 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.740 -9.554 0.489 1.00 0.00 H new ATOM 311 N PRO A 50 1.043 -12.828 1.940 1.00 0.00 N ATOM 312 CA PRO A 50 0.115 -13.902 2.308 1.00 0.00 C ATOM 313 C PRO A 50 0.542 -14.636 3.580 1.00 0.00 C ATOM 314 O PRO A 50 -0.031 -14.417 4.647 1.00 0.00 O ATOM 315 CB PRO A 50 0.142 -14.841 1.094 1.00 0.00 C ATOM 316 CG PRO A 50 0.607 -13.990 -0.038 1.00 0.00 C ATOM 317 CD PRO A 50 1.542 -12.977 0.561 1.00 0.00 C ATOM 0 HA PRO A 50 -0.880 -13.518 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.816 -15.681 1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.845 -15.258 0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.114 -14.590 -0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.234 -13.501 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.575 -13.323 0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.513 -12.032 0.018 1.00 0.00 H new ATOM 325 N ARG A 51 1.545 -15.505 3.469 1.00 0.00 N ATOM 326 CA ARG A 51 2.026 -16.257 4.624 1.00 0.00 C ATOM 327 C ARG A 51 3.521 -16.553 4.517 1.00 0.00 C ATOM 328 O ARG A 51 4.332 -15.971 5.239 1.00 0.00 O ATOM 329 CB ARG A 51 1.242 -17.563 4.770 1.00 0.00 C ATOM 330 CG ARG A 51 1.461 -18.258 6.104 1.00 0.00 C ATOM 331 CD ARG A 51 2.629 -19.229 6.040 1.00 0.00 C ATOM 332 NE ARG A 51 2.788 -19.976 7.286 1.00 0.00 N ATOM 333 CZ ARG A 51 2.034 -21.019 7.627 1.00 0.00 C ATOM 334 NH1 ARG A 51 1.068 -21.440 6.820 1.00 0.00 N ATOM 335 NH2 ARG A 51 2.246 -21.642 8.778 1.00 0.00 N ATOM 0 H ARG A 51 2.037 -15.704 2.598 1.00 0.00 H new ATOM 0 HA ARG A 51 1.868 -15.642 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.179 -17.354 4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.528 -18.241 3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.648 -17.513 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.556 -18.794 6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.476 -19.926 5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.546 -18.680 5.827 1.00 0.00 H new ATOM 0 HE ARG A 51 3.520 -19.681 7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.900 -20.964 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.493 -22.240 7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.987 -21.322 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.668 -22.441 9.039 1.00 0.00 H new ATOM 349 N ASP A 52 3.877 -17.468 3.619 1.00 0.00 N ATOM 350 CA ASP A 52 5.272 -17.852 3.424 1.00 0.00 C ATOM 351 C ASP A 52 6.123 -16.661 2.997 1.00 0.00 C ATOM 352 O ASP A 52 7.280 -16.537 3.400 1.00 0.00 O ATOM 353 CB ASP A 52 5.372 -18.963 2.376 1.00 0.00 C ATOM 354 CG ASP A 52 4.610 -20.210 2.780 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.452 -20.078 3.228 1.00 0.00 O ATOM 356 OD2 ASP A 52 5.172 -21.317 2.648 1.00 0.00 O ATOM 0 H ASP A 52 3.218 -17.958 3.014 1.00 0.00 H new ATOM 0 HA ASP A 52 5.653 -18.217 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.986 -18.597 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.420 -19.216 2.218 1.00 0.00 H new ATOM 361 N GLN A 53 5.547 -15.790 2.176 1.00 0.00 N ATOM 362 CA GLN A 53 6.258 -14.611 1.690 1.00 0.00 C ATOM 363 C GLN A 53 6.867 -13.816 2.844 1.00 0.00 C ATOM 364 O GLN A 53 7.857 -13.107 2.664 1.00 0.00 O ATOM 365 CB GLN A 53 5.312 -13.722 0.880 1.00 0.00 C ATOM 366 CG GLN A 53 5.597 -13.734 -0.613 1.00 0.00 C ATOM 367 CD GLN A 53 4.449 -14.305 -1.424 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.785 -13.587 -2.172 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.210 -15.603 -1.278 1.00 0.00 N ATOM 0 H GLN A 53 4.590 -15.877 1.833 1.00 0.00 H new ATOM 0 HA GLN A 53 7.071 -14.949 1.047 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.286 -14.049 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.385 -12.698 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.802 -12.717 -0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.497 -14.320 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.786 -16.160 -0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.450 -16.043 -1.797 1.00 0.00 H new ATOM 378 N HIS A 54 6.273 -13.940 4.028 1.00 0.00 N ATOM 379 CA HIS A 54 6.762 -13.231 5.206 1.00 0.00 C ATOM 380 C HIS A 54 7.863 -14.024 5.905 1.00 0.00 C ATOM 381 O HIS A 54 8.842 -13.455 6.388 1.00 0.00 O ATOM 382 CB HIS A 54 5.615 -12.965 6.184 1.00 0.00 C ATOM 383 CG HIS A 54 6.044 -12.253 7.430 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.919 -12.801 8.346 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.723 -11.027 7.908 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.117 -11.944 9.331 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.403 -10.860 9.089 1.00 0.00 N ATOM 0 H HIS A 54 5.454 -14.524 4.197 1.00 0.00 H new ATOM 0 HA HIS A 54 7.178 -12.279 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.850 -12.373 5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.154 -13.914 6.458 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.056 -10.314 7.446 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.754 -12.103 10.188 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.363 -10.032 9.684 1.00 0.00 H new ATOM 396 N GLU A 55 7.692 -15.341 5.960 1.00 0.00 N ATOM 397 CA GLU A 55 8.665 -16.215 6.606 1.00 0.00 C ATOM 398 C GLU A 55 10.044 -16.099 5.960 1.00 0.00 C ATOM 399 O GLU A 55 11.045 -16.509 6.545 1.00 0.00 O ATOM 400 CB GLU A 55 8.187 -17.667 6.548 1.00 0.00 C ATOM 401 CG GLU A 55 8.977 -18.601 7.449 1.00 0.00 C ATOM 402 CD GLU A 55 9.319 -19.914 6.772 1.00 0.00 C ATOM 403 OE1 GLU A 55 10.100 -19.893 5.798 1.00 0.00 O ATOM 404 OE2 GLU A 55 8.805 -20.962 7.216 1.00 0.00 O ATOM 0 H GLU A 55 6.887 -15.827 5.564 1.00 0.00 H new ATOM 0 HA GLU A 55 8.753 -15.900 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.135 -17.706 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.255 -18.023 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.897 -18.107 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.401 -18.802 8.352 1.00 0.00 H new ATOM 411 N PHE A 56 10.095 -15.548 4.751 1.00 0.00 N ATOM 412 CA PHE A 56 11.359 -15.395 4.039 1.00 0.00 C ATOM 413 C PHE A 56 11.911 -13.977 4.190 1.00 0.00 C ATOM 414 O PHE A 56 13.091 -13.790 4.477 1.00 0.00 O ATOM 415 CB PHE A 56 11.169 -15.743 2.555 1.00 0.00 C ATOM 416 CG PHE A 56 12.076 -14.989 1.620 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.453 -15.065 1.755 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.549 -14.201 0.609 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.287 -14.371 0.900 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.379 -13.503 -0.248 1.00 0.00 C ATOM 421 CZ PHE A 56 13.750 -13.589 -0.102 1.00 0.00 C ATOM 0 H PHE A 56 9.279 -15.201 4.246 1.00 0.00 H new ATOM 0 HA PHE A 56 12.084 -16.082 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.336 -16.812 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.134 -15.544 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.879 -15.674 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.478 -14.132 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.359 -14.440 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.956 -12.891 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.400 -13.045 -0.771 1.00 0.00 H new ATOM 431 N VAL A 57 11.055 -12.985 3.978 1.00 0.00 N ATOM 432 CA VAL A 57 11.462 -11.587 4.071 1.00 0.00 C ATOM 433 C VAL A 57 11.805 -11.169 5.502 1.00 0.00 C ATOM 434 O VAL A 57 12.326 -10.075 5.720 1.00 0.00 O ATOM 435 CB VAL A 57 10.366 -10.650 3.525 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.096 -10.767 4.355 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.858 -9.210 3.487 1.00 0.00 C ATOM 0 H VAL A 57 10.073 -13.122 3.740 1.00 0.00 H new ATOM 0 HA VAL A 57 12.362 -11.496 3.463 1.00 0.00 H new ATOM 0 HB VAL A 57 10.133 -10.955 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.336 -10.098 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.731 -11.794 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.310 -10.494 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.069 -8.566 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.125 -8.890 4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.733 -9.141 2.841 1.00 0.00 H new ATOM 447 N SER A 58 11.505 -12.023 6.476 1.00 0.00 N ATOM 448 CA SER A 58 11.785 -11.697 7.873 1.00 0.00 C ATOM 449 C SER A 58 12.663 -12.751 8.544 1.00 0.00 C ATOM 450 O SER A 58 13.519 -12.423 9.365 1.00 0.00 O ATOM 451 CB SER A 58 10.476 -11.546 8.649 1.00 0.00 C ATOM 452 OG SER A 58 9.756 -12.766 8.677 1.00 0.00 O ATOM 0 H SER A 58 11.073 -12.935 6.328 1.00 0.00 H new ATOM 0 HA SER A 58 12.332 -10.754 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.689 -11.222 9.668 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.864 -10.770 8.189 1.00 0.00 H new ATOM 0 HG SER A 58 9.129 -12.793 7.925 1.00 0.00 H new ATOM 458 N SER A 59 12.437 -14.017 8.211 1.00 0.00 N ATOM 459 CA SER A 59 13.202 -15.108 8.808 1.00 0.00 C ATOM 460 C SER A 59 14.464 -15.440 8.010 1.00 0.00 C ATOM 461 O SER A 59 15.301 -16.216 8.470 1.00 0.00 O ATOM 462 CB SER A 59 12.328 -16.357 8.934 1.00 0.00 C ATOM 463 OG SER A 59 12.573 -17.029 10.158 1.00 0.00 O ATOM 0 H SER A 59 11.734 -14.313 7.534 1.00 0.00 H new ATOM 0 HA SER A 59 13.517 -14.774 9.797 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.276 -16.077 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.527 -17.030 8.100 1.00 0.00 H new ATOM 0 HG SER A 59 12.001 -17.823 10.215 1.00 0.00 H new ATOM 469 N GLN A 60 14.601 -14.869 6.816 1.00 0.00 N ATOM 470 CA GLN A 60 15.772 -15.143 5.985 1.00 0.00 C ATOM 471 C GLN A 60 16.363 -13.865 5.394 1.00 0.00 C ATOM 472 O GLN A 60 17.523 -13.538 5.641 1.00 0.00 O ATOM 473 CB GLN A 60 15.402 -16.112 4.862 1.00 0.00 C ATOM 474 CG GLN A 60 15.114 -17.524 5.346 1.00 0.00 C ATOM 475 CD GLN A 60 15.905 -18.574 4.591 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.512 -19.002 3.506 1.00 0.00 O ATOM 477 NE2 GLN A 60 17.026 -18.996 5.164 1.00 0.00 N ATOM 0 H GLN A 60 13.927 -14.223 6.406 1.00 0.00 H new ATOM 0 HA GLN A 60 16.530 -15.594 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.525 -15.731 4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.216 -16.144 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.347 -17.594 6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.049 -17.730 5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.314 -18.613 6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.599 -19.703 4.703 1.00 0.00 H new ATOM 486 N ALA A 61 15.561 -13.157 4.602 1.00 0.00 N ATOM 487 CA ALA A 61 15.999 -11.919 3.956 1.00 0.00 C ATOM 488 C ALA A 61 16.846 -11.052 4.889 1.00 0.00 C ATOM 489 O ALA A 61 16.671 -11.079 6.107 1.00 0.00 O ATOM 490 CB ALA A 61 14.795 -11.136 3.457 1.00 0.00 C ATOM 0 H ALA A 61 14.599 -13.420 4.390 1.00 0.00 H new ATOM 0 HA ALA A 61 16.628 -12.195 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.132 -10.217 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.242 -11.739 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.147 -10.890 4.298 1.00 0.00 H new ATOM 496 N PRO A 62 17.783 -10.272 4.320 1.00 0.00 N ATOM 497 CA PRO A 62 18.666 -9.395 5.097 1.00 0.00 C ATOM 498 C PRO A 62 17.944 -8.161 5.629 1.00 0.00 C ATOM 499 O PRO A 62 16.886 -7.783 5.126 1.00 0.00 O ATOM 500 CB PRO A 62 19.738 -8.991 4.084 1.00 0.00 C ATOM 501 CG PRO A 62 19.051 -9.061 2.765 1.00 0.00 C ATOM 502 CD PRO A 62 18.057 -10.187 2.872 1.00 0.00 C ATOM 0 HA PRO A 62 19.059 -9.894 5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.114 -7.987 4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.594 -9.665 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.551 -8.120 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.765 -9.246 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.151 -9.977 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.466 -11.121 2.486 1.00 0.00 H new ATOM 510 N GLN A 63 18.525 -7.537 6.651 1.00 0.00 N ATOM 511 CA GLN A 63 17.943 -6.342 7.259 1.00 0.00 C ATOM 512 C GLN A 63 17.512 -5.335 6.196 1.00 0.00 C ATOM 513 O GLN A 63 16.443 -4.733 6.296 1.00 0.00 O ATOM 514 CB GLN A 63 18.947 -5.694 8.215 1.00 0.00 C ATOM 515 CG GLN A 63 18.424 -4.437 8.891 1.00 0.00 C ATOM 516 CD GLN A 63 18.859 -4.330 10.340 1.00 0.00 C ATOM 517 OE1 GLN A 63 18.356 -5.047 11.206 1.00 0.00 O ATOM 518 NE2 GLN A 63 19.798 -3.432 10.611 1.00 0.00 N ATOM 0 H GLN A 63 19.401 -7.840 7.077 1.00 0.00 H new ATOM 0 HA GLN A 63 17.058 -6.646 7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.226 -6.418 8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.854 -5.448 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.776 -3.562 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.335 -4.428 8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.187 -2.859 9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 63 20.131 -3.315 11.568 1.00 0.00 H new ATOM 527 N SER A 64 18.347 -5.159 5.175 1.00 0.00 N ATOM 528 CA SER A 64 18.044 -4.227 4.094 1.00 0.00 C ATOM 529 C SER A 64 16.688 -4.547 3.474 1.00 0.00 C ATOM 530 O SER A 64 15.965 -3.653 3.032 1.00 0.00 O ATOM 531 CB SER A 64 19.134 -4.283 3.022 1.00 0.00 C ATOM 532 OG SER A 64 18.944 -5.390 2.158 1.00 0.00 O ATOM 0 H SER A 64 19.236 -5.648 5.074 1.00 0.00 H new ATOM 0 HA SER A 64 18.009 -3.220 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.126 -3.360 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.112 -4.352 3.497 1.00 0.00 H new ATOM 0 HG SER A 64 19.653 -5.402 1.481 1.00 0.00 H new ATOM 538 N LEU A 65 16.350 -5.831 3.451 1.00 0.00 N ATOM 539 CA LEU A 65 15.082 -6.280 2.895 1.00 0.00 C ATOM 540 C LEU A 65 13.956 -6.101 3.909 1.00 0.00 C ATOM 541 O LEU A 65 12.813 -5.827 3.545 1.00 0.00 O ATOM 542 CB LEU A 65 15.184 -7.750 2.478 1.00 0.00 C ATOM 543 CG LEU A 65 14.553 -8.089 1.126 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.038 -7.968 1.198 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.114 -7.188 0.036 1.00 0.00 C ATOM 0 H LEU A 65 16.940 -6.581 3.813 1.00 0.00 H new ATOM 0 HA LEU A 65 14.856 -5.675 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.237 -8.031 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.711 -8.362 3.246 1.00 0.00 H new ATOM 0 HG LEU A 65 14.801 -9.121 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.607 -8.213 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.653 -8.657 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.767 -6.947 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.654 -7.443 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.897 -6.147 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.193 -7.328 -0.032 1.00 0.00 H new ATOM 557 N ARG A 66 14.291 -6.264 5.184 1.00 0.00 N ATOM 558 CA ARG A 66 13.314 -6.129 6.258 1.00 0.00 C ATOM 559 C ARG A 66 13.003 -4.664 6.552 1.00 0.00 C ATOM 560 O ARG A 66 11.840 -4.261 6.571 1.00 0.00 O ATOM 561 CB ARG A 66 13.827 -6.816 7.524 1.00 0.00 C ATOM 562 CG ARG A 66 14.192 -8.276 7.316 1.00 0.00 C ATOM 563 CD ARG A 66 15.119 -8.782 8.409 1.00 0.00 C ATOM 564 NE ARG A 66 15.470 -10.188 8.223 1.00 0.00 N ATOM 565 CZ ARG A 66 16.015 -10.947 9.170 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.272 -10.442 10.370 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.304 -12.217 8.917 1.00 0.00 N ATOM 0 H ARG A 66 15.234 -6.490 5.500 1.00 0.00 H new ATOM 0 HA ARG A 66 12.392 -6.610 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.703 -6.279 7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.064 -6.747 8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.285 -8.880 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.673 -8.397 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.028 -8.180 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.639 -8.654 9.379 1.00 0.00 H new ATOM 0 HE ARG A 66 15.286 -10.612 7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.052 -9.467 10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.690 -11.029 11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.108 -12.611 7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.722 -12.799 9.643 1.00 0.00 H new ATOM 581 N ASN A 67 14.043 -3.871 6.793 1.00 0.00 N ATOM 582 CA ASN A 67 13.862 -2.456 7.097 1.00 0.00 C ATOM 583 C ASN A 67 13.121 -1.738 5.971 1.00 0.00 C ATOM 584 O ASN A 67 12.343 -0.818 6.222 1.00 0.00 O ATOM 585 CB ASN A 67 15.211 -1.780 7.359 1.00 0.00 C ATOM 586 CG ASN A 67 16.208 -2.003 6.241 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.865 -2.529 5.183 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.453 -1.602 6.472 1.00 0.00 N ATOM 0 H ASN A 67 15.014 -4.182 6.784 1.00 0.00 H new ATOM 0 HA ASN A 67 13.256 -2.388 8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.056 -0.709 7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.627 -2.160 8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.170 -1.726 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.692 -1.170 7.365 1.00 0.00 H new ATOM 595 N ARG A 68 13.356 -2.163 4.732 1.00 0.00 N ATOM 596 CA ARG A 68 12.693 -1.550 3.587 1.00 0.00 C ATOM 597 C ARG A 68 11.229 -1.978 3.517 1.00 0.00 C ATOM 598 O ARG A 68 10.385 -1.256 2.986 1.00 0.00 O ATOM 599 CB ARG A 68 13.420 -1.910 2.284 1.00 0.00 C ATOM 600 CG ARG A 68 13.200 -3.343 1.819 1.00 0.00 C ATOM 601 CD ARG A 68 13.451 -3.481 0.326 1.00 0.00 C ATOM 602 NE ARG A 68 12.831 -4.682 -0.228 1.00 0.00 N ATOM 603 CZ ARG A 68 12.556 -4.846 -1.521 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.838 -3.887 -2.395 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.000 -5.974 -1.942 1.00 0.00 N ATOM 0 H ARG A 68 13.995 -2.923 4.498 1.00 0.00 H new ATOM 0 HA ARG A 68 12.728 -0.468 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.090 -1.231 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.489 -1.745 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.865 -4.012 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.180 -3.650 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.062 -2.603 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.525 -3.510 0.141 1.00 0.00 H new ATOM 0 HE ARG A 68 12.595 -5.440 0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.268 -3.018 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.625 -4.019 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.783 -6.715 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.789 -6.100 -2.932 1.00 0.00 H new ATOM 619 N TYR A 69 10.937 -3.157 4.058 1.00 0.00 N ATOM 620 CA TYR A 69 9.577 -3.686 4.063 1.00 0.00 C ATOM 621 C TYR A 69 8.620 -2.727 4.764 1.00 0.00 C ATOM 622 O TYR A 69 7.655 -2.250 4.168 1.00 0.00 O ATOM 623 CB TYR A 69 9.548 -5.051 4.755 1.00 0.00 C ATOM 624 CG TYR A 69 8.174 -5.681 4.805 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.199 -5.199 5.668 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.855 -6.760 3.992 1.00 0.00 C ATOM 627 CE1 TYR A 69 5.944 -5.774 5.720 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.602 -7.341 4.036 1.00 0.00 C ATOM 629 CZ TYR A 69 5.650 -6.845 4.902 1.00 0.00 C ATOM 630 OH TYR A 69 4.402 -7.421 4.950 1.00 0.00 O ATOM 0 H TYR A 69 11.626 -3.766 4.500 1.00 0.00 H new ATOM 0 HA TYR A 69 9.252 -3.799 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.228 -5.726 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.924 -4.940 5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.426 -4.360 6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.599 -7.152 3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.197 -5.387 6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.369 -8.179 3.396 1.00 0.00 H new ATOM 0 HH TYR A 69 3.784 -6.824 5.421 1.00 0.00 H new ATOM 640 N ASN A 70 8.894 -2.450 6.035 1.00 0.00 N ATOM 641 CA ASN A 70 8.056 -1.549 6.819 1.00 0.00 C ATOM 642 C ASN A 70 8.083 -0.137 6.242 1.00 0.00 C ATOM 643 O ASN A 70 7.120 0.617 6.378 1.00 0.00 O ATOM 644 CB ASN A 70 8.521 -1.525 8.276 1.00 0.00 C ATOM 645 CG ASN A 70 10.019 -1.331 8.401 1.00 0.00 C ATOM 646 OD1 ASN A 70 10.753 -2.266 8.723 1.00 0.00 O ATOM 647 ND2 ASN A 70 10.482 -0.113 8.146 1.00 0.00 N ATOM 0 H ASN A 70 9.689 -2.836 6.544 1.00 0.00 H new ATOM 0 HA ASN A 70 7.032 -1.919 6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.008 -0.722 8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.237 -2.459 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.482 0.077 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.838 0.633 7.882 1.00 0.00 H new ATOM 654 N ASN A 71 9.193 0.217 5.601 1.00 0.00 N ATOM 655 CA ASN A 71 9.344 1.540 5.006 1.00 0.00 C ATOM 656 C ASN A 71 8.248 1.806 3.977 1.00 0.00 C ATOM 657 O ASN A 71 7.390 2.667 4.177 1.00 0.00 O ATOM 658 CB ASN A 71 10.722 1.673 4.352 1.00 0.00 C ATOM 659 CG ASN A 71 11.485 2.883 4.854 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.914 3.959 5.039 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.783 2.714 5.077 1.00 0.00 N ATOM 0 H ASN A 71 10.001 -0.394 5.481 1.00 0.00 H new ATOM 0 HA ASN A 71 9.254 2.281 5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.303 0.772 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.603 1.745 3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.348 3.493 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.215 1.805 4.910 1.00 0.00 H new ATOM 668 N LEU A 72 8.283 1.063 2.875 1.00 0.00 N ATOM 669 CA LEU A 72 7.293 1.221 1.815 1.00 0.00 C ATOM 670 C LEU A 72 5.876 1.092 2.366 1.00 0.00 C ATOM 671 O LEU A 72 4.974 1.829 1.967 1.00 0.00 O ATOM 672 CB LEU A 72 7.523 0.187 0.710 1.00 0.00 C ATOM 673 CG LEU A 72 7.510 -1.272 1.170 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.082 -1.792 1.261 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.335 -2.133 0.224 1.00 0.00 C ATOM 0 H LEU A 72 8.985 0.346 2.693 1.00 0.00 H new ATOM 0 HA LEU A 72 7.408 2.220 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.756 0.317 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.482 0.393 0.236 1.00 0.00 H new ATOM 0 HG LEU A 72 7.956 -1.326 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.093 -2.831 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.521 -1.191 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.608 -1.726 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.316 -3.168 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.916 -2.074 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.364 -1.774 0.210 1.00 0.00 H new ATOM 687 N TYR A 73 5.686 0.155 3.290 1.00 0.00 N ATOM 688 CA TYR A 73 4.377 -0.057 3.891 1.00 0.00 C ATOM 689 C TYR A 73 3.994 1.121 4.777 1.00 0.00 C ATOM 690 O TYR A 73 2.820 1.480 4.875 1.00 0.00 O ATOM 691 CB TYR A 73 4.355 -1.353 4.703 1.00 0.00 C ATOM 692 CG TYR A 73 2.959 -1.797 5.086 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.899 -1.660 4.197 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.701 -2.349 6.334 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.623 -2.058 4.541 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.426 -2.751 6.686 1.00 0.00 C ATOM 697 CZ TYR A 73 0.391 -2.603 5.786 1.00 0.00 C ATOM 698 OH TYR A 73 -0.879 -3.002 6.133 1.00 0.00 O ATOM 0 H TYR A 73 6.418 -0.465 3.636 1.00 0.00 H new ATOM 0 HA TYR A 73 3.648 -0.140 3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.834 -2.143 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.946 -1.216 5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.077 -1.235 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.509 -2.466 7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.189 -1.943 3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.241 -3.179 7.660 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.871 -3.365 7.043 1.00 0.00 H new ATOM 708 N SER A 74 4.991 1.728 5.417 1.00 0.00 N ATOM 709 CA SER A 74 4.753 2.874 6.287 1.00 0.00 C ATOM 710 C SER A 74 3.953 3.941 5.548 1.00 0.00 C ATOM 711 O SER A 74 3.088 4.601 6.125 1.00 0.00 O ATOM 712 CB SER A 74 6.081 3.456 6.779 1.00 0.00 C ATOM 713 OG SER A 74 6.166 3.407 8.193 1.00 0.00 O ATOM 0 H SER A 74 5.969 1.445 5.349 1.00 0.00 H new ATOM 0 HA SER A 74 4.178 2.540 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.910 2.899 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.177 4.488 6.441 1.00 0.00 H new ATOM 0 HG SER A 74 7.024 3.783 8.482 1.00 0.00 H new ATOM 719 N HIS A 75 4.245 4.092 4.260 1.00 0.00 N ATOM 720 CA HIS A 75 3.552 5.066 3.427 1.00 0.00 C ATOM 721 C HIS A 75 2.175 4.544 3.024 1.00 0.00 C ATOM 722 O HIS A 75 1.257 5.322 2.765 1.00 0.00 O ATOM 723 CB HIS A 75 4.381 5.382 2.180 1.00 0.00 C ATOM 724 CG HIS A 75 4.918 6.779 2.158 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.168 7.113 2.636 1.00 0.00 N ATOM 726 CD2 HIS A 75 4.369 7.933 1.710 1.00 0.00 C ATOM 727 CE1 HIS A 75 6.364 8.411 2.484 1.00 0.00 C ATOM 728 NE2 HIS A 75 5.288 8.931 1.924 1.00 0.00 N ATOM 0 H HIS A 75 4.958 3.551 3.771 1.00 0.00 H new ATOM 0 HA HIS A 75 3.421 5.981 4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.213 4.680 2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.765 5.224 1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.391 8.047 1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.253 8.954 2.769 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.160 9.915 1.688 1.00 0.00 H new ATOM 737 N THR A 76 2.037 3.221 2.973 1.00 0.00 N ATOM 738 CA THR A 76 0.771 2.600 2.602 1.00 0.00 C ATOM 739 C THR A 76 -0.237 2.676 3.746 1.00 0.00 C ATOM 740 O THR A 76 -1.434 2.845 3.520 1.00 0.00 O ATOM 741 CB THR A 76 0.984 1.139 2.208 1.00 0.00 C ATOM 742 OG1 THR A 76 1.931 1.031 1.161 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.289 0.458 1.752 1.00 0.00 C ATOM 0 H THR A 76 2.785 2.561 3.184 1.00 0.00 H new ATOM 0 HA THR A 76 0.374 3.150 1.749 1.00 0.00 H new ATOM 0 HB THR A 76 1.343 0.643 3.110 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.819 1.276 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.073 -0.577 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.022 0.480 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.690 0.980 0.883 1.00 0.00 H new ATOM 751 N GLN A 77 0.252 2.540 4.972 1.00 0.00 N ATOM 752 CA GLN A 77 -0.612 2.583 6.147 1.00 0.00 C ATOM 753 C GLN A 77 -1.064 4.009 6.456 1.00 0.00 C ATOM 754 O GLN A 77 -2.107 4.216 7.076 1.00 0.00 O ATOM 755 CB GLN A 77 0.114 1.995 7.358 1.00 0.00 C ATOM 756 CG GLN A 77 1.380 2.749 7.733 1.00 0.00 C ATOM 757 CD GLN A 77 1.515 2.953 9.230 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.186 2.181 9.915 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.877 3.998 9.744 1.00 0.00 N ATOM 0 H GLN A 77 1.241 2.399 5.180 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.498 1.986 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.564 1.992 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.368 0.956 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.247 2.201 7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.381 3.719 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.332 4.612 9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.932 4.187 10.745 1.00 0.00 H new ATOM 768 N ARG A 78 -0.272 4.988 6.030 1.00 0.00 N ATOM 769 CA ARG A 78 -0.596 6.390 6.276 1.00 0.00 C ATOM 770 C ARG A 78 -1.352 7.007 5.101 1.00 0.00 C ATOM 771 O ARG A 78 -2.118 7.955 5.277 1.00 0.00 O ATOM 772 CB ARG A 78 0.681 7.187 6.547 1.00 0.00 C ATOM 773 CG ARG A 78 1.662 7.177 5.385 1.00 0.00 C ATOM 774 CD ARG A 78 1.657 8.499 4.632 1.00 0.00 C ATOM 775 NE ARG A 78 2.980 9.119 4.606 1.00 0.00 N ATOM 776 CZ ARG A 78 3.500 9.798 5.626 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.814 9.947 6.752 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.711 10.328 5.520 1.00 0.00 N ATOM 0 H ARG A 78 0.595 4.838 5.515 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.243 6.431 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.414 8.218 6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.173 6.780 7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.666 6.975 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.407 6.368 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.314 8.333 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.946 9.180 5.100 1.00 0.00 H new ATOM 0 HE ARG A 78 3.537 9.026 3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.883 9.540 6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.218 10.468 7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.243 10.215 4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.110 10.848 6.301 1.00 0.00 H new ATOM 792 N THR A 79 -1.129 6.474 3.904 1.00 0.00 N ATOM 793 CA THR A 79 -1.790 6.988 2.708 1.00 0.00 C ATOM 794 C THR A 79 -3.272 6.623 2.692 1.00 0.00 C ATOM 795 O THR A 79 -4.123 7.470 2.422 1.00 0.00 O ATOM 796 CB THR A 79 -1.108 6.455 1.448 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.654 7.057 0.288 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.234 4.958 1.291 1.00 0.00 C ATOM 0 H THR A 79 -0.499 5.690 3.736 1.00 0.00 H new ATOM 0 HA THR A 79 -1.707 8.075 2.726 1.00 0.00 H new ATOM 0 HB THR A 79 -0.053 6.706 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.356 6.481 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.729 4.644 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.776 4.463 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.288 4.685 1.235 1.00 0.00 H new ATOM 806 N LEU A 80 -3.579 5.359 2.978 1.00 0.00 N ATOM 807 CA LEU A 80 -4.966 4.896 2.990 1.00 0.00 C ATOM 808 C LEU A 80 -5.846 5.832 3.813 1.00 0.00 C ATOM 809 O LEU A 80 -7.010 6.059 3.481 1.00 0.00 O ATOM 810 CB LEU A 80 -5.061 3.476 3.549 1.00 0.00 C ATOM 811 CG LEU A 80 -4.205 2.429 2.833 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.711 1.381 3.818 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.998 1.779 1.714 1.00 0.00 C ATOM 0 H LEU A 80 -2.891 4.641 3.203 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.322 4.894 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.774 3.498 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.103 3.157 3.510 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.337 2.926 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.104 0.644 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.110 1.862 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.565 0.885 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.378 1.036 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.882 1.294 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.305 2.540 0.996 1.00 0.00 H new ATOM 825 N ASP A 81 -5.280 6.377 4.886 1.00 0.00 N ATOM 826 CA ASP A 81 -6.011 7.293 5.755 1.00 0.00 C ATOM 827 C ASP A 81 -6.562 8.468 4.954 1.00 0.00 C ATOM 828 O ASP A 81 -7.629 8.999 5.263 1.00 0.00 O ATOM 829 CB ASP A 81 -5.101 7.805 6.873 1.00 0.00 C ATOM 830 CG ASP A 81 -5.123 6.907 8.094 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.179 6.835 8.759 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.086 6.276 8.387 1.00 0.00 O ATOM 0 H ASP A 81 -4.318 6.200 5.174 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.846 6.750 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.080 7.881 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.412 8.810 7.159 1.00 0.00 H new ATOM 837 N MET A 82 -5.826 8.865 3.921 1.00 0.00 N ATOM 838 CA MET A 82 -6.238 9.972 3.068 1.00 0.00 C ATOM 839 C MET A 82 -7.434 9.575 2.206 1.00 0.00 C ATOM 840 O MET A 82 -8.211 10.427 1.775 1.00 0.00 O ATOM 841 CB MET A 82 -5.074 10.415 2.177 1.00 0.00 C ATOM 842 CG MET A 82 -4.000 11.191 2.923 1.00 0.00 C ATOM 843 SD MET A 82 -3.074 12.303 1.847 1.00 0.00 S ATOM 844 CE MET A 82 -2.194 11.127 0.821 1.00 0.00 C ATOM 0 H MET A 82 -4.940 8.435 3.655 1.00 0.00 H new ATOM 0 HA MET A 82 -6.534 10.804 3.707 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.623 9.535 1.718 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.462 11.033 1.367 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.464 11.768 3.723 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.311 10.490 3.394 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.659 11.659 0.034 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.482 10.572 1.432 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.904 10.433 0.371 1.00 0.00 H new ATOM 854 N ALA A 83 -7.576 8.275 1.959 1.00 0.00 N ATOM 855 CA ALA A 83 -8.677 7.765 1.149 1.00 0.00 C ATOM 856 C ALA A 83 -9.982 7.755 1.939 1.00 0.00 C ATOM 857 O ALA A 83 -11.049 8.041 1.396 1.00 0.00 O ATOM 858 CB ALA A 83 -8.353 6.368 0.640 1.00 0.00 C ATOM 0 H ALA A 83 -6.942 7.556 2.309 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.807 8.430 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.183 5.999 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.449 6.403 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.194 5.700 1.487 1.00 0.00 H new ATOM 864 N ASP A 84 -9.890 7.422 3.223 1.00 0.00 N ATOM 865 CA ASP A 84 -11.065 7.374 4.086 1.00 0.00 C ATOM 866 C ASP A 84 -11.241 8.689 4.840 1.00 0.00 C ATOM 867 O ASP A 84 -11.476 8.696 6.049 1.00 0.00 O ATOM 868 CB ASP A 84 -10.949 6.213 5.075 1.00 0.00 C ATOM 869 CG ASP A 84 -12.267 5.491 5.277 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.689 4.758 4.358 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.878 5.661 6.353 1.00 0.00 O ATOM 0 H ASP A 84 -9.015 7.182 3.688 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.942 7.219 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.202 5.506 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.594 6.590 6.034 1.00 0.00 H new ATOM 876 N MET A 85 -11.117 9.800 4.121 1.00 0.00 N ATOM 877 CA MET A 85 -11.253 11.121 4.730 1.00 0.00 C ATOM 878 C MET A 85 -12.203 12.021 3.941 1.00 0.00 C ATOM 879 O MET A 85 -13.238 12.448 4.453 1.00 0.00 O ATOM 880 CB MET A 85 -9.883 11.790 4.844 1.00 0.00 C ATOM 881 CG MET A 85 -9.824 12.880 5.903 1.00 0.00 C ATOM 882 SD MET A 85 -8.678 12.494 7.241 1.00 0.00 S ATOM 883 CE MET A 85 -9.542 11.150 8.050 1.00 0.00 C ATOM 0 H MET A 85 -10.923 9.814 3.120 1.00 0.00 H new ATOM 0 HA MET A 85 -11.678 10.979 5.724 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.135 11.031 5.074 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.616 12.219 3.878 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.526 13.819 5.435 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.821 13.032 6.317 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.957 10.802 8.901 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.515 11.499 8.397 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.681 10.330 7.345 1.00 0.00 H new ATOM 893 N GLN A 86 -11.822 12.323 2.698 1.00 0.00 N ATOM 894 CA GLN A 86 -12.607 13.195 1.818 1.00 0.00 C ATOM 895 C GLN A 86 -14.114 13.037 2.023 1.00 0.00 C ATOM 896 O GLN A 86 -14.796 13.987 2.406 1.00 0.00 O ATOM 897 CB GLN A 86 -12.255 12.920 0.355 1.00 0.00 C ATOM 898 CG GLN A 86 -12.155 14.177 -0.494 1.00 0.00 C ATOM 899 CD GLN A 86 -10.958 15.034 -0.131 1.00 0.00 C ATOM 900 OE1 GLN A 86 -10.695 15.291 1.044 1.00 0.00 O ATOM 901 NE2 GLN A 86 -10.226 15.485 -1.142 1.00 0.00 N ATOM 0 H GLN A 86 -10.964 11.972 2.273 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.349 14.222 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.305 12.387 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.010 12.261 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.090 13.896 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.066 14.764 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.480 15.248 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.410 16.069 -0.960 1.00 0.00 H new ATOM 910 N HIS A 87 -14.628 11.841 1.761 1.00 0.00 N ATOM 911 CA HIS A 87 -16.058 11.572 1.914 1.00 0.00 C ATOM 912 C HIS A 87 -16.459 11.546 3.387 1.00 0.00 C ATOM 913 O HIS A 87 -16.993 10.551 3.879 1.00 0.00 O ATOM 914 CB HIS A 87 -16.444 10.246 1.249 1.00 0.00 C ATOM 915 CG HIS A 87 -15.359 9.220 1.274 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.578 8.740 0.282 1.00 0.00 N flip ATOM 917 CD2 HIS A 87 -14.958 8.575 2.423 1.00 0.00 C flip ATOM 918 CE1 HIS A 87 -13.725 7.823 0.842 1.00 0.00 C flip ATOM 919 NE2 HIS A 87 -13.974 7.744 2.136 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.080 11.042 1.442 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.595 12.382 1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -17.324 9.842 1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.726 10.438 0.214 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -14.615 9.009 -0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.382 8.726 3.405 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.973 7.258 0.311 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.611 16.963 -0.537 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.988 16.866 -1.943 1.00 0.00 C ATOM 1112 C LEU A 101 -6.811 15.607 -2.201 1.00 0.00 C ATOM 1113 O LEU A 101 -6.692 14.619 -1.478 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.742 16.868 -2.832 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.709 17.945 -2.496 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.391 17.658 -3.198 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.232 19.321 -2.880 1.00 0.00 C ATOM 0 HA LEU A 101 -6.599 17.734 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.263 15.892 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.054 16.996 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.533 17.932 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.668 18.435 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.010 16.689 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.549 17.644 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.485 20.076 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.436 19.347 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.151 19.527 -2.331 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.663 15.629 -3.240 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.514 14.488 -3.589 1.00 0.00 C ATOM 1131 C PRO A 102 -7.741 13.363 -4.270 1.00 0.00 C ATOM 1132 O PRO A 102 -8.027 12.185 -4.057 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.529 15.096 -4.555 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.802 16.224 -5.200 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.869 16.771 -4.152 1.00 0.00 C ATOM 0 HA PRO A 102 -8.958 14.027 -2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.862 14.365 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.417 15.446 -4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.249 15.882 -6.075 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.497 16.991 -5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.930 17.110 -4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.305 17.625 -3.633 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.765 13.731 -5.094 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.961 12.746 -5.808 1.00 0.00 C ATOM 1145 C HIS A 103 -4.753 12.298 -4.982 1.00 0.00 C ATOM 1146 O HIS A 103 -4.058 11.353 -5.355 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.505 13.306 -7.159 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.412 14.327 -7.062 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -4.155 15.052 -5.917 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.505 14.743 -7.978 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -3.139 15.869 -6.133 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.727 15.700 -7.376 1.00 0.00 N ATOM 0 H HIS A 103 -6.512 14.701 -5.283 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.587 11.871 -5.980 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.163 12.482 -7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.362 13.754 -7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.411 14.388 -8.994 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.718 16.557 -5.415 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.955 16.200 -7.817 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.506 12.975 -3.862 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.382 12.630 -2.997 1.00 0.00 C ATOM 1163 C GLU A 104 -3.474 11.176 -2.546 1.00 0.00 C ATOM 1164 O GLU A 104 -2.513 10.415 -2.661 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.343 13.554 -1.777 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.294 14.649 -1.878 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.067 14.359 -1.036 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -1.081 14.693 0.168 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.092 13.798 -1.579 1.00 0.00 O ATOM 0 H GLU A 104 -5.067 13.762 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.463 12.760 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.323 14.012 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.149 12.957 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.996 14.767 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.731 15.596 -1.563 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.640 10.798 -2.033 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.867 9.436 -1.565 1.00 0.00 C ATOM 1178 C ASN A 105 -4.757 8.442 -2.717 1.00 0.00 C ATOM 1179 O ASN A 105 -4.239 7.339 -2.551 1.00 0.00 O ATOM 1180 CB ASN A 105 -6.247 9.325 -0.914 1.00 0.00 C ATOM 1181 CG ASN A 105 -7.337 9.945 -1.765 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.887 9.298 -2.656 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.652 11.206 -1.494 1.00 0.00 N ATOM 0 H ASN A 105 -5.444 11.417 -1.931 1.00 0.00 H new ATOM 0 HA ASN A 105 -4.102 9.198 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -6.480 8.275 -0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.227 9.814 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.377 11.678 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.169 11.703 -0.746 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.248 8.843 -3.884 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.208 7.991 -5.065 1.00 0.00 C ATOM 1192 C VAL A 106 -3.777 7.800 -5.558 1.00 0.00 C ATOM 1193 O VAL A 106 -3.290 6.674 -5.663 1.00 0.00 O ATOM 1194 CB VAL A 106 -6.059 8.577 -6.207 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -6.139 7.605 -7.374 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.451 8.934 -5.707 1.00 0.00 C ATOM 0 H VAL A 106 -5.679 9.755 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.620 7.025 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.577 9.489 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.745 8.040 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.136 7.405 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.594 6.672 -7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.038 9.347 -6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.941 8.039 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.373 9.673 -4.910 1.00 0.00 H new ATOM 1206 N ASP A 107 -3.109 8.909 -5.862 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.733 8.866 -6.346 1.00 0.00 C ATOM 1208 C ASP A 107 -0.828 8.135 -5.359 1.00 0.00 C ATOM 1209 O ASP A 107 -0.069 7.244 -5.740 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.210 10.285 -6.582 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.350 10.385 -7.826 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.851 10.049 -7.747 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.876 10.799 -8.880 1.00 0.00 O ATOM 0 H ASP A 107 -3.498 9.848 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.724 8.320 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.053 10.970 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.630 10.604 -5.716 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.916 8.516 -4.089 1.00 0.00 N ATOM 1219 CA ASP A 108 -0.106 7.896 -3.047 1.00 0.00 C ATOM 1220 C ASP A 108 -0.427 6.409 -2.919 1.00 0.00 C ATOM 1221 O ASP A 108 0.403 5.623 -2.461 1.00 0.00 O ATOM 1222 CB ASP A 108 -0.340 8.596 -1.707 1.00 0.00 C ATOM 1223 CG ASP A 108 0.186 10.018 -1.699 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.305 10.614 -2.790 1.00 0.00 O ATOM 1225 OD2 ASP A 108 0.479 10.536 -0.601 1.00 0.00 O ATOM 0 H ASP A 108 -1.540 9.251 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 108 0.942 8.000 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.407 8.605 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.145 8.027 -0.913 1.00 0.00 H new ATOM 1230 N MET A 109 -1.634 6.030 -3.327 1.00 0.00 N ATOM 1231 CA MET A 109 -2.063 4.638 -3.258 1.00 0.00 C ATOM 1232 C MET A 109 -1.286 3.782 -4.250 1.00 0.00 C ATOM 1233 O MET A 109 -0.569 2.859 -3.862 1.00 0.00 O ATOM 1234 CB MET A 109 -3.564 4.535 -3.541 1.00 0.00 C ATOM 1235 CG MET A 109 -4.380 4.071 -2.346 1.00 0.00 C ATOM 1236 SD MET A 109 -4.021 5.002 -0.848 1.00 0.00 S ATOM 1237 CE MET A 109 -5.670 5.517 -0.394 1.00 0.00 C ATOM 0 H MET A 109 -2.332 6.668 -3.709 1.00 0.00 H new ATOM 0 HA MET A 109 -1.862 4.268 -2.253 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.931 5.509 -3.865 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.722 3.843 -4.369 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.441 4.163 -2.579 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.183 3.014 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.618 6.196 0.457 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.137 6.027 -1.237 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.263 4.643 -0.125 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.431 4.098 -5.532 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.740 3.360 -6.583 1.00 0.00 C ATOM 1249 C ARG A 110 0.770 3.381 -6.363 1.00 0.00 C ATOM 1250 O ARG A 110 1.492 2.524 -6.872 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.079 3.940 -7.959 1.00 0.00 C ATOM 1252 CG ARG A 110 -1.125 5.461 -7.994 1.00 0.00 C ATOM 1253 CD ARG A 110 -1.183 5.985 -9.421 1.00 0.00 C ATOM 1254 NE ARG A 110 -0.030 6.821 -9.746 1.00 0.00 N ATOM 1255 CZ ARG A 110 0.079 7.528 -10.869 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -0.893 7.504 -11.773 1.00 0.00 N ATOM 1257 NH2 ARG A 110 1.161 8.262 -11.088 1.00 0.00 N ATOM 0 H ARG A 110 -2.020 4.860 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.079 2.325 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.340 3.592 -8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.045 3.550 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.996 5.812 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.245 5.864 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.228 5.145 -10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.098 6.561 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 110 0.736 6.866 -9.074 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.728 6.942 -11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.804 8.047 -12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.910 8.285 -10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.244 8.804 -11.948 1.00 0.00 H new ATOM 1271 N SER A 111 1.243 4.360 -5.596 1.00 0.00 N ATOM 1272 CA SER A 111 2.666 4.478 -5.307 1.00 0.00 C ATOM 1273 C SER A 111 3.125 3.334 -4.410 1.00 0.00 C ATOM 1274 O SER A 111 4.223 2.802 -4.575 1.00 0.00 O ATOM 1275 CB SER A 111 2.962 5.821 -4.636 1.00 0.00 C ATOM 1276 OG SER A 111 4.186 6.365 -5.101 1.00 0.00 O ATOM 0 H SER A 111 0.663 5.080 -5.166 1.00 0.00 H new ATOM 0 HA SER A 111 3.214 4.425 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.150 6.519 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.006 5.689 -3.555 1.00 0.00 H new ATOM 0 HG SER A 111 4.351 7.224 -4.659 1.00 0.00 H new ATOM 1282 N ALA A 112 2.272 2.956 -3.462 1.00 0.00 N ATOM 1283 CA ALA A 112 2.588 1.870 -2.543 1.00 0.00 C ATOM 1284 C ALA A 112 2.701 0.547 -3.291 1.00 0.00 C ATOM 1285 O ALA A 112 3.643 -0.217 -3.079 1.00 0.00 O ATOM 1286 CB ALA A 112 1.535 1.774 -1.449 1.00 0.00 C ATOM 0 H ALA A 112 1.359 3.385 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 112 3.551 2.085 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.787 0.958 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.502 2.710 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.560 1.585 -1.898 1.00 0.00 H new ATOM 1292 N ILE A 113 1.740 0.284 -4.171 1.00 0.00 N ATOM 1293 CA ILE A 113 1.745 -0.945 -4.952 1.00 0.00 C ATOM 1294 C ILE A 113 2.978 -1.009 -5.849 1.00 0.00 C ATOM 1295 O ILE A 113 3.435 -2.089 -6.215 1.00 0.00 O ATOM 1296 CB ILE A 113 0.460 -1.088 -5.803 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.055 -2.560 -5.903 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.645 -0.491 -7.194 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.943 -2.984 -4.848 1.00 0.00 C ATOM 0 H ILE A 113 0.952 0.903 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 113 1.775 -1.776 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.336 -0.533 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.370 -2.746 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.947 -3.181 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.276 -0.608 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.885 0.569 -7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.458 -1.006 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.185 -4.039 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.513 -2.831 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.851 -2.389 -4.946 1.00 0.00 H new ATOM 1311 N THR A 114 3.518 0.157 -6.193 1.00 0.00 N ATOM 1312 CA THR A 114 4.705 0.223 -7.036 1.00 0.00 C ATOM 1313 C THR A 114 5.880 -0.438 -6.329 1.00 0.00 C ATOM 1314 O THR A 114 6.682 -1.137 -6.949 1.00 0.00 O ATOM 1315 CB THR A 114 5.043 1.676 -7.373 1.00 0.00 C ATOM 1316 OG1 THR A 114 3.943 2.315 -7.997 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.237 1.814 -8.293 1.00 0.00 C ATOM 0 H THR A 114 3.154 1.064 -5.902 1.00 0.00 H new ATOM 0 HA THR A 114 4.503 -0.309 -7.966 1.00 0.00 H new ATOM 0 HB THR A 114 5.283 2.146 -6.419 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.189 2.354 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.423 2.869 -8.492 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.114 1.374 -7.819 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.035 1.298 -9.231 1.00 0.00 H new ATOM 1325 N ASP A 115 5.965 -0.220 -5.020 1.00 0.00 N ATOM 1326 CA ASP A 115 7.030 -0.803 -4.215 1.00 0.00 C ATOM 1327 C ASP A 115 6.672 -2.232 -3.821 1.00 0.00 C ATOM 1328 O ASP A 115 7.522 -3.122 -3.831 1.00 0.00 O ATOM 1329 CB ASP A 115 7.275 0.041 -2.963 1.00 0.00 C ATOM 1330 CG ASP A 115 8.741 0.091 -2.578 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.487 -0.835 -2.959 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.143 1.057 -1.895 1.00 0.00 O ATOM 0 H ASP A 115 5.308 0.357 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 115 7.944 -0.820 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.912 1.054 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.698 -0.368 -2.134 1.00 0.00 H new ATOM 1337 N TRP A 116 5.403 -2.443 -3.483 1.00 0.00 N ATOM 1338 CA TRP A 116 4.924 -3.765 -3.094 1.00 0.00 C ATOM 1339 C TRP A 116 4.967 -4.721 -4.281 1.00 0.00 C ATOM 1340 O TRP A 116 5.476 -5.837 -4.175 1.00 0.00 O ATOM 1341 CB TRP A 116 3.498 -3.674 -2.550 1.00 0.00 C ATOM 1342 CG TRP A 116 3.438 -3.346 -1.091 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.316 -2.105 -0.534 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.497 -4.272 -0.001 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.295 -2.204 0.836 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.405 -3.524 1.188 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.619 -5.662 0.086 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.431 -4.120 2.447 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.644 -6.252 1.335 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.550 -5.481 2.501 1.00 0.00 C ATOM 0 H TRP A 116 4.688 -1.715 -3.471 1.00 0.00 H new ATOM 0 HA TRP A 116 5.578 -4.149 -2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.952 -2.914 -3.108 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.990 -4.623 -2.723 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.246 -1.181 -1.089 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.211 -1.422 1.486 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.692 -6.264 -0.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.360 -3.528 3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.738 -7.325 1.414 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.572 -5.972 3.463 1.00 0.00 H new ATOM 1361 N SER A 117 4.432 -4.272 -5.413 1.00 0.00 N ATOM 1362 CA SER A 117 4.410 -5.081 -6.627 1.00 0.00 C ATOM 1363 C SER A 117 5.815 -5.558 -6.978 1.00 0.00 C ATOM 1364 O SER A 117 6.027 -6.733 -7.280 1.00 0.00 O ATOM 1365 CB SER A 117 3.825 -4.279 -7.791 1.00 0.00 C ATOM 1366 OG SER A 117 3.728 -5.073 -8.960 1.00 0.00 O ATOM 0 H SER A 117 4.007 -3.350 -5.514 1.00 0.00 H new ATOM 0 HA SER A 117 3.780 -5.952 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.838 -3.905 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.452 -3.410 -7.989 1.00 0.00 H new ATOM 0 HG SER A 117 3.350 -4.538 -9.689 1.00 0.00 H new ATOM 1372 N ASP A 118 6.773 -4.638 -6.926 1.00 0.00 N ATOM 1373 CA ASP A 118 8.161 -4.965 -7.228 1.00 0.00 C ATOM 1374 C ASP A 118 8.663 -6.062 -6.296 1.00 0.00 C ATOM 1375 O ASP A 118 9.498 -6.882 -6.677 1.00 0.00 O ATOM 1376 CB ASP A 118 9.043 -3.721 -7.096 1.00 0.00 C ATOM 1377 CG ASP A 118 10.233 -3.754 -8.034 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.075 -4.231 -9.178 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.324 -3.304 -7.625 1.00 0.00 O ATOM 0 H ASP A 118 6.613 -3.662 -6.678 1.00 0.00 H new ATOM 0 HA ASP A 118 8.214 -5.325 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.446 -2.832 -7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.396 -3.637 -6.068 1.00 0.00 H new ATOM 1384 N MET A 119 8.140 -6.073 -5.074 1.00 0.00 N ATOM 1385 CA MET A 119 8.524 -7.073 -4.087 1.00 0.00 C ATOM 1386 C MET A 119 7.925 -8.430 -4.440 1.00 0.00 C ATOM 1387 O MET A 119 8.516 -9.472 -4.163 1.00 0.00 O ATOM 1388 CB MET A 119 8.065 -6.648 -2.691 1.00 0.00 C ATOM 1389 CG MET A 119 8.849 -7.306 -1.567 1.00 0.00 C ATOM 1390 SD MET A 119 8.393 -6.675 0.059 1.00 0.00 S ATOM 1391 CE MET A 119 10.002 -6.550 0.834 1.00 0.00 C ATOM 0 H MET A 119 7.449 -5.399 -4.744 1.00 0.00 H new ATOM 0 HA MET A 119 9.611 -7.158 -4.091 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.156 -5.566 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.008 -6.889 -2.576 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.682 -8.383 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.915 -7.144 -1.729 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.884 -6.223 1.867 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.492 -7.524 0.815 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.612 -5.827 0.292 1.00 0.00 H new ATOM 1401 N ARG A 120 6.749 -8.408 -5.059 1.00 0.00 N ATOM 1402 CA ARG A 120 6.073 -9.637 -5.456 1.00 0.00 C ATOM 1403 C ARG A 120 6.979 -10.486 -6.343 1.00 0.00 C ATOM 1404 O ARG A 120 7.067 -11.702 -6.177 1.00 0.00 O ATOM 1405 CB ARG A 120 4.771 -9.312 -6.193 1.00 0.00 C ATOM 1406 CG ARG A 120 3.596 -10.176 -5.763 1.00 0.00 C ATOM 1407 CD ARG A 120 2.465 -10.121 -6.778 1.00 0.00 C ATOM 1408 NE ARG A 120 1.457 -11.149 -6.530 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.661 -12.450 -6.724 1.00 0.00 C ATOM 1410 NH1 ARG A 120 2.835 -12.887 -7.163 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.689 -13.317 -6.476 1.00 0.00 N ATOM 0 H ARG A 120 6.245 -7.553 -5.296 1.00 0.00 H new ATOM 0 HA ARG A 120 5.837 -10.205 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.521 -8.264 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.929 -9.436 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.927 -11.207 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.232 -9.840 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.996 -9.138 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.872 -10.247 -7.781 1.00 0.00 H new ATOM 0 HE ARG A 120 0.543 -10.852 -6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.587 -12.225 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.985 -13.885 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.215 -12.987 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.845 -14.314 -6.625 1.00 0.00 H new ATOM 1425 N GLU A 121 7.654 -9.831 -7.283 1.00 0.00 N ATOM 1426 CA GLU A 121 8.558 -10.519 -8.196 1.00 0.00 C ATOM 1427 C GLU A 121 9.947 -10.664 -7.580 1.00 0.00 C ATOM 1428 O GLU A 121 10.641 -11.653 -7.814 1.00 0.00 O ATOM 1429 CB GLU A 121 8.651 -9.762 -9.523 1.00 0.00 C ATOM 1430 CG GLU A 121 7.682 -10.267 -10.579 1.00 0.00 C ATOM 1431 CD GLU A 121 7.948 -9.670 -11.947 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.773 -8.444 -12.104 1.00 0.00 O ATOM 1433 OE2 GLU A 121 8.332 -10.430 -12.862 1.00 0.00 O ATOM 0 H GLU A 121 7.591 -8.824 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 121 8.157 -11.515 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.460 -8.704 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.668 -9.842 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.751 -11.353 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.663 -10.029 -10.275 1.00 0.00 H new ATOM 1440 N ALA A 122 10.345 -9.671 -6.790 1.00 0.00 N ATOM 1441 CA ALA A 122 11.651 -9.688 -6.139 1.00 0.00 C ATOM 1442 C ALA A 122 11.701 -10.738 -5.036 1.00 0.00 C ATOM 1443 O ALA A 122 12.541 -11.637 -5.057 1.00 0.00 O ATOM 1444 CB ALA A 122 11.976 -8.313 -5.573 1.00 0.00 C ATOM 0 H ALA A 122 9.782 -8.845 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 122 12.399 -9.948 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.953 -8.340 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.990 -7.581 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.218 -8.032 -4.842 1.00 0.00 H new ATOM 1450 N LEU A 123 10.795 -10.616 -4.072 1.00 0.00 N ATOM 1451 CA LEU A 123 10.731 -11.551 -2.955 1.00 0.00 C ATOM 1452 C LEU A 123 10.543 -12.983 -3.450 1.00 0.00 C ATOM 1453 O LEU A 123 11.212 -13.903 -2.982 1.00 0.00 O ATOM 1454 CB LEU A 123 9.587 -11.170 -2.011 1.00 0.00 C ATOM 1455 CG LEU A 123 9.907 -11.293 -0.521 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.133 -10.467 -0.167 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.712 -10.862 0.316 1.00 0.00 C ATOM 0 H LEU A 123 10.093 -9.877 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 123 11.675 -11.496 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.292 -10.142 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.726 -11.800 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 123 10.124 -12.338 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.345 -10.568 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.989 -10.821 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.946 -9.419 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.956 -10.956 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.465 -9.824 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.857 -11.497 0.083 1.00 0.00 H new ATOM 1469 N GLN A 124 9.630 -13.163 -4.400 1.00 0.00 N ATOM 1470 CA GLN A 124 9.357 -14.484 -4.955 1.00 0.00 C ATOM 1471 C GLN A 124 10.618 -15.096 -5.557 1.00 0.00 C ATOM 1472 O GLN A 124 10.953 -16.248 -5.282 1.00 0.00 O ATOM 1473 CB GLN A 124 8.262 -14.397 -6.020 1.00 0.00 C ATOM 1474 CG GLN A 124 6.853 -14.457 -5.451 1.00 0.00 C ATOM 1475 CD GLN A 124 5.802 -14.677 -6.520 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.030 -15.634 -6.461 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.766 -13.788 -7.507 1.00 0.00 N ATOM 0 H GLN A 124 9.068 -12.412 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 124 9.016 -15.126 -4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.381 -13.467 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.393 -15.213 -6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.795 -15.262 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.639 -13.528 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.425 -13.010 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.079 -13.884 -8.255 1.00 0.00 H new ATOM 1486 N HIS A 125 11.312 -14.317 -6.380 1.00 0.00 N ATOM 1487 CA HIS A 125 12.536 -14.783 -7.022 1.00 0.00 C ATOM 1488 C HIS A 125 13.633 -15.030 -5.991 1.00 0.00 C ATOM 1489 O HIS A 125 14.357 -16.023 -6.066 1.00 0.00 O ATOM 1490 CB HIS A 125 13.014 -13.763 -8.057 1.00 0.00 C ATOM 1491 CG HIS A 125 14.233 -14.200 -8.809 1.00 0.00 C ATOM 1492 ND1 HIS A 125 15.432 -14.653 -8.369 1.00 0.00 N flip ATOM 1493 CD2 HIS A 125 14.308 -14.201 -10.186 1.00 0.00 C flip ATOM 1494 CE1 HIS A 125 16.198 -14.916 -9.477 1.00 0.00 C flip ATOM 1495 NE2 HIS A 125 15.498 -14.636 -10.561 1.00 0.00 N flip ATOM 0 H HIS A 125 11.048 -13.361 -6.618 1.00 0.00 H new ATOM 0 HA HIS A 125 12.316 -15.725 -7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.208 -13.572 -8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.226 -12.819 -7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.517 -13.894 -10.854 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.211 -15.292 -9.464 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.821 -14.738 -11.523 1.00 0.00 H new ATOM 1504 N ALA A 126 13.750 -14.119 -5.031 1.00 0.00 N ATOM 1505 CA ALA A 126 14.759 -14.236 -3.985 1.00 0.00 C ATOM 1506 C ALA A 126 14.459 -15.410 -3.060 1.00 0.00 C ATOM 1507 O ALA A 126 15.368 -16.112 -2.617 1.00 0.00 O ATOM 1508 CB ALA A 126 14.846 -12.942 -3.191 1.00 0.00 C ATOM 0 H ALA A 126 13.159 -13.291 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 126 15.722 -14.422 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.603 -13.043 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.117 -12.124 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.880 -12.731 -2.732 1.00 0.00 H new ATOM 1514 N MET A 127 13.177 -15.619 -2.773 1.00 0.00 N ATOM 1515 CA MET A 127 12.757 -16.712 -1.901 1.00 0.00 C ATOM 1516 C MET A 127 13.238 -18.053 -2.442 1.00 0.00 C ATOM 1517 O MET A 127 13.850 -18.843 -1.723 1.00 0.00 O ATOM 1518 CB MET A 127 11.233 -16.726 -1.766 1.00 0.00 C ATOM 1519 CG MET A 127 10.740 -17.427 -0.511 1.00 0.00 C ATOM 1520 SD MET A 127 9.051 -18.038 -0.674 1.00 0.00 S ATOM 1521 CE MET A 127 8.150 -16.501 -0.851 1.00 0.00 C ATOM 0 H MET A 127 12.412 -15.047 -3.131 1.00 0.00 H new ATOM 0 HA MET A 127 13.203 -16.552 -0.919 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.867 -15.699 -1.766 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.804 -17.217 -2.639 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.403 -18.261 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.793 -16.736 0.331 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.153 -16.613 -0.426 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.681 -15.706 -0.327 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.068 -16.247 -1.908 1.00 0.00 H new ATOM 1531 N GLY A 128 12.956 -18.301 -3.716 1.00 0.00 N ATOM 1532 CA GLY A 128 13.365 -19.546 -4.339 1.00 0.00 C ATOM 1533 C GLY A 128 12.565 -19.858 -5.589 1.00 0.00 C ATOM 1534 O GLY A 128 12.209 -21.010 -5.834 1.00 0.00 O ATOM 0 H GLY A 128 12.451 -17.661 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.424 -19.491 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.250 -20.361 -3.625 1.00 0.00 H new ATOM 1538 N ILE A 129 12.283 -18.828 -6.381 1.00 0.00 N ATOM 1539 CA ILE A 129 11.520 -18.998 -7.612 1.00 0.00 C ATOM 1540 C ILE A 129 12.246 -18.372 -8.797 1.00 0.00 C ATOM 1541 O ILE A 129 13.100 -17.502 -8.626 1.00 0.00 O ATOM 1542 CB ILE A 129 10.117 -18.371 -7.494 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.422 -18.856 -6.220 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.281 -18.708 -8.720 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.103 -18.166 -5.951 1.00 0.00 C ATOM 0 H ILE A 129 12.571 -17.868 -6.192 1.00 0.00 H new ATOM 0 HA ILE A 129 11.418 -20.071 -7.777 1.00 0.00 H new ATOM 0 HB ILE A 129 10.224 -17.288 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.252 -19.930 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.086 -18.697 -5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.293 -18.258 -8.622 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.770 -18.318 -9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.180 -19.790 -8.805 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.667 -18.560 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.268 -17.094 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.422 -18.347 -6.782 1.00 0.00 H new