USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 921 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 70 THR OG1 : rot 29:sc= 0.186 USER MOD Set 1.2: A 73 HIS :FLIP no HD1:sc= 0.0849 F(o=-0.27,f=0.27) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.601 K(o=-0.75,f=-5.8) USER MOD Set 2.2: A 16 LYS NZ :NH3+ 153:sc= 0.663 (180deg=0) USER MOD Set 2.3: A 46 MET CE :methyl 163:sc= -2.02 (180deg=-2.8!) USER MOD Set 3.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 60 MET CE :methyl -116:sc= 0 (180deg=-0.439) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0.373 USER MOD Set 4.2: A 17 GLN : amide:sc= 0.0946 X(o=0.47,f=0.063) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.331 K(o=0.34,f=-0.5) USER MOD Set 5.2: A 26 CYS SG : rot 65:sc= 0.667 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0446 K(o=-0.045,f=-2.1!) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 2.48 (180deg=2.19) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 29 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0046) USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.142 USER MOD Single : A 34 GLN : amide:sc= 1.45 K(o=1.5,f=0.54) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 22:sc= 0.38 USER MOD Single : A 42 SER OG : rot 72:sc= 1.29 USER MOD Single : A 43 ASN : amide:sc= 0.826 K(o=0.83,f=-2.8!) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.953) USER MOD Single : A 54 TYR OH : rot -88:sc=5.37e-05 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A 59 GLN : amide:sc= -0.608 K(o=-0.61,f=-1.4) USER MOD Single : A 61 CYS SG : rot 77:sc= -0.334 USER MOD Single : A 62 GLN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0605 F(o=-1.3!,f=-0.06) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -70:sc= 1.22 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 1.96 (180deg=1.83) USER MOD Single : A 81 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.04) USER MOD Single : A 82 TYR OH : rot 9:sc= 1.58 USER MOD Single : A 88 GLN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 95 GLN : amide:sc= 0.586 K(o=0.59,f=-7.7!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -4 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.474 12.625 -12.827 1.00 0.00 N ATOM 2 CA MET A 1 11.741 12.597 -12.068 1.00 0.00 C ATOM 3 C MET A 1 12.243 11.159 -11.960 1.00 0.00 C ATOM 4 O MET A 1 11.869 10.422 -11.047 1.00 0.00 O ATOM 5 CB MET A 1 11.611 13.265 -10.687 1.00 0.00 C ATOM 6 CG MET A 1 11.761 14.786 -10.743 1.00 0.00 C ATOM 7 SD MET A 1 11.552 15.618 -9.147 1.00 0.00 S ATOM 8 CE MET A 1 11.563 17.339 -9.716 1.00 0.00 C ATOM 0 H1 MET A 1 10.134 13.605 -12.899 1.00 0.00 H new ATOM 0 H2 MET A 1 10.632 12.242 -13.781 1.00 0.00 H new ATOM 0 H3 MET A 1 9.762 12.047 -12.336 1.00 0.00 H new ATOM 0 HA MET A 1 12.479 13.185 -12.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.640 13.017 -10.259 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.368 12.855 -10.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.748 15.027 -11.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.030 15.185 -11.446 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.444 18.005 -8.862 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.509 17.552 -10.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.742 17.496 -10.416 1.00 0.00 H new ATOM 19 N SER A 2 13.116 10.758 -12.887 1.00 0.00 N ATOM 20 CA SER A 2 13.733 9.422 -12.976 1.00 0.00 C ATOM 21 C SER A 2 14.332 8.911 -11.659 1.00 0.00 C ATOM 22 O SER A 2 14.088 7.768 -11.267 1.00 0.00 O ATOM 23 CB SER A 2 14.866 9.455 -14.019 1.00 0.00 C ATOM 24 OG SER A 2 14.540 10.267 -15.139 1.00 0.00 O ATOM 0 H SER A 2 13.430 11.380 -13.632 1.00 0.00 H new ATOM 0 HA SER A 2 12.926 8.743 -13.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.777 9.831 -13.552 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.076 8.440 -14.357 1.00 0.00 H new ATOM 0 HG SER A 2 15.286 10.262 -15.775 1.00 0.00 H new ATOM 30 N GLN A 3 15.081 9.763 -10.951 1.00 0.00 N ATOM 31 CA GLN A 3 15.748 9.405 -9.696 1.00 0.00 C ATOM 32 C GLN A 3 14.720 9.192 -8.577 1.00 0.00 C ATOM 33 O GLN A 3 14.853 8.251 -7.800 1.00 0.00 O ATOM 34 CB GLN A 3 16.788 10.478 -9.321 1.00 0.00 C ATOM 35 CG GLN A 3 17.972 10.535 -10.311 1.00 0.00 C ATOM 36 CD GLN A 3 18.791 11.823 -10.216 1.00 0.00 C ATOM 37 OE1 GLN A 3 18.722 12.603 -9.275 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.596 12.136 -11.203 1.00 0.00 N ATOM 0 H GLN A 3 15.242 10.729 -11.236 1.00 0.00 H new ATOM 0 HA GLN A 3 16.277 8.462 -9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.302 11.453 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.167 10.276 -8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 3 18.628 9.684 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 3 17.590 10.432 -11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.683 11.514 -12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.135 13.001 -11.167 1.00 0.00 H new ATOM 47 N PHE A 4 13.638 9.975 -8.544 1.00 0.00 N ATOM 48 CA PHE A 4 12.530 9.787 -7.598 1.00 0.00 C ATOM 49 C PHE A 4 11.797 8.451 -7.796 1.00 0.00 C ATOM 50 O PHE A 4 11.458 7.790 -6.810 1.00 0.00 O ATOM 51 CB PHE A 4 11.593 11.002 -7.679 1.00 0.00 C ATOM 52 CG PHE A 4 10.163 10.813 -7.200 1.00 0.00 C ATOM 53 CD1 PHE A 4 9.907 10.378 -5.889 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.081 11.109 -8.052 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.584 10.228 -5.439 1.00 0.00 C ATOM 56 CE2 PHE A 4 7.759 11.017 -7.581 1.00 0.00 C ATOM 57 CZ PHE A 4 7.509 10.565 -6.275 1.00 0.00 C ATOM 0 H PHE A 4 13.504 10.764 -9.177 1.00 0.00 H new ATOM 0 HA PHE A 4 12.937 9.727 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.039 11.811 -7.100 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.560 11.334 -8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.730 10.158 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.268 11.408 -9.073 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.394 9.851 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.936 11.294 -8.223 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.494 10.477 -5.916 1.00 0.00 H new ATOM 67 N GLU A 5 11.625 7.994 -9.039 1.00 0.00 N ATOM 68 CA GLU A 5 10.938 6.731 -9.341 1.00 0.00 C ATOM 69 C GLU A 5 11.756 5.490 -8.967 1.00 0.00 C ATOM 70 O GLU A 5 11.169 4.424 -8.778 1.00 0.00 O ATOM 71 CB GLU A 5 10.518 6.707 -10.824 1.00 0.00 C ATOM 72 CG GLU A 5 9.282 7.577 -11.114 1.00 0.00 C ATOM 73 CD GLU A 5 7.963 6.893 -10.722 1.00 0.00 C ATOM 74 OE1 GLU A 5 7.910 6.118 -9.744 1.00 0.00 O ATOM 75 OE2 GLU A 5 6.910 7.151 -11.352 1.00 0.00 O ATOM 0 H GLU A 5 11.958 8.488 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 5 10.047 6.689 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.350 7.052 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.309 5.679 -11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.372 8.519 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.257 7.821 -12.176 1.00 0.00 H new ATOM 83 N LYS A 6 13.076 5.628 -8.769 1.00 0.00 N ATOM 84 CA LYS A 6 13.894 4.612 -8.078 1.00 0.00 C ATOM 85 C LYS A 6 14.054 4.858 -6.570 1.00 0.00 C ATOM 86 O LYS A 6 14.172 3.887 -5.817 1.00 0.00 O ATOM 87 CB LYS A 6 15.202 4.353 -8.855 1.00 0.00 C ATOM 88 CG LYS A 6 16.242 5.481 -8.920 1.00 0.00 C ATOM 89 CD LYS A 6 17.104 5.646 -7.656 1.00 0.00 C ATOM 90 CE LYS A 6 17.949 6.916 -7.765 1.00 0.00 C ATOM 91 NZ LYS A 6 18.833 7.087 -6.594 1.00 0.00 N ATOM 0 H LYS A 6 13.607 6.441 -9.080 1.00 0.00 H new ATOM 0 HA LYS A 6 13.344 3.671 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.684 3.480 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.935 4.087 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.901 5.299 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.725 6.421 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.466 5.698 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.751 4.778 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.551 6.875 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.294 7.782 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.390 7.958 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.257 7.151 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.475 6.272 -6.522 1.00 0.00 H new ATOM 105 N GLN A 7 14.002 6.114 -6.096 1.00 0.00 N ATOM 106 CA GLN A 7 14.198 6.442 -4.679 1.00 0.00 C ATOM 107 C GLN A 7 13.006 6.019 -3.807 1.00 0.00 C ATOM 108 O GLN A 7 13.215 5.560 -2.681 1.00 0.00 O ATOM 109 CB GLN A 7 14.582 7.925 -4.471 1.00 0.00 C ATOM 110 CG GLN A 7 13.464 8.861 -3.980 1.00 0.00 C ATOM 111 CD GLN A 7 13.949 10.300 -3.836 1.00 0.00 C ATOM 112 OE1 GLN A 7 13.656 11.153 -4.661 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.687 10.631 -2.800 1.00 0.00 N ATOM 0 H GLN A 7 13.823 6.927 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 7 15.048 5.850 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.402 7.968 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.963 8.314 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.629 8.828 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.089 8.506 -3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.937 9.927 -2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.010 11.592 -2.690 1.00 0.00 H new ATOM 122 N LYS A 8 11.761 6.122 -4.307 1.00 0.00 N ATOM 123 CA LYS A 8 10.580 5.617 -3.574 1.00 0.00 C ATOM 124 C LYS A 8 10.686 4.109 -3.316 1.00 0.00 C ATOM 125 O LYS A 8 10.308 3.628 -2.251 1.00 0.00 O ATOM 126 CB LYS A 8 9.258 6.015 -4.272 1.00 0.00 C ATOM 127 CG LYS A 8 9.074 5.449 -5.689 1.00 0.00 C ATOM 128 CD LYS A 8 7.678 5.670 -6.299 1.00 0.00 C ATOM 129 CE LYS A 8 7.309 7.130 -6.635 1.00 0.00 C ATOM 130 NZ LYS A 8 6.345 7.145 -7.752 1.00 0.00 N ATOM 0 H LYS A 8 11.545 6.547 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 8 10.563 6.100 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.424 5.683 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.204 7.103 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.817 5.903 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.279 4.379 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.605 5.079 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.934 5.279 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.878 7.619 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.204 7.691 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.172 8.127 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.732 6.605 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.450 6.713 -7.444 1.00 0.00 H new ATOM 144 N GLU A 9 11.298 3.378 -4.247 1.00 0.00 N ATOM 145 CA GLU A 9 11.527 1.934 -4.127 1.00 0.00 C ATOM 146 C GLU A 9 12.658 1.582 -3.138 1.00 0.00 C ATOM 147 O GLU A 9 12.535 0.603 -2.399 1.00 0.00 O ATOM 148 CB GLU A 9 11.769 1.319 -5.514 1.00 0.00 C ATOM 149 CG GLU A 9 10.718 1.749 -6.552 1.00 0.00 C ATOM 150 CD GLU A 9 10.808 0.956 -7.864 1.00 0.00 C ATOM 151 OE1 GLU A 9 9.773 0.830 -8.565 1.00 0.00 O ATOM 152 OE2 GLU A 9 11.917 0.489 -8.229 1.00 0.00 O ATOM 0 H GLU A 9 11.654 3.774 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 9 10.623 1.496 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.759 1.608 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.765 0.232 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.723 1.623 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.841 2.811 -6.767 1.00 0.00 H new ATOM 160 N GLN A 10 13.707 2.406 -3.032 1.00 0.00 N ATOM 161 CA GLN A 10 14.710 2.293 -1.960 1.00 0.00 C ATOM 162 C GLN A 10 14.090 2.569 -0.578 1.00 0.00 C ATOM 163 O GLN A 10 14.304 1.797 0.359 1.00 0.00 O ATOM 164 CB GLN A 10 15.915 3.190 -2.283 1.00 0.00 C ATOM 165 CG GLN A 10 16.995 3.174 -1.180 1.00 0.00 C ATOM 166 CD GLN A 10 16.873 4.302 -0.148 1.00 0.00 C ATOM 167 OE1 GLN A 10 15.962 5.115 -0.166 1.00 0.00 O ATOM 168 NE2 GLN A 10 17.783 4.407 0.793 1.00 0.00 N ATOM 0 H GLN A 10 13.887 3.169 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 10 15.076 1.267 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.360 2.866 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.570 4.213 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.950 2.217 -0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.976 3.235 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.555 3.742 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.718 5.154 1.485 1.00 0.00 H new ATOM 177 N GLY A 11 13.238 3.594 -0.463 1.00 0.00 N ATOM 178 CA GLY A 11 12.499 3.891 0.770 1.00 0.00 C ATOM 179 C GLY A 11 11.575 2.742 1.191 1.00 0.00 C ATOM 180 O GLY A 11 11.555 2.358 2.361 1.00 0.00 O ATOM 0 H GLY A 11 13.041 4.243 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.206 4.097 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.907 4.795 0.626 1.00 0.00 H new ATOM 184 N ASN A 12 10.874 2.122 0.233 1.00 0.00 N ATOM 185 CA ASN A 12 10.079 0.913 0.463 1.00 0.00 C ATOM 186 C ASN A 12 10.926 -0.258 1.004 1.00 0.00 C ATOM 187 O ASN A 12 10.465 -0.977 1.894 1.00 0.00 O ATOM 188 CB ASN A 12 9.361 0.536 -0.844 1.00 0.00 C ATOM 189 CG ASN A 12 8.557 -0.741 -0.692 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.711 -0.863 0.181 1.00 0.00 O ATOM 191 ND2 ASN A 12 8.836 -1.765 -1.460 1.00 0.00 N ATOM 0 H ASN A 12 10.844 2.450 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 12 9.342 1.124 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.700 1.349 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.095 0.412 -1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.349 -2.651 -1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.540 -1.676 -2.193 1.00 0.00 H new ATOM 198 N SER A 13 12.164 -0.432 0.523 1.00 0.00 N ATOM 199 CA SER A 13 13.066 -1.458 1.061 1.00 0.00 C ATOM 200 C SER A 13 13.520 -1.129 2.487 1.00 0.00 C ATOM 201 O SER A 13 13.477 -2.012 3.341 1.00 0.00 O ATOM 202 CB SER A 13 14.268 -1.687 0.138 1.00 0.00 C ATOM 203 OG SER A 13 14.957 -2.853 0.564 1.00 0.00 O ATOM 0 H SER A 13 12.562 0.122 -0.235 1.00 0.00 H new ATOM 0 HA SER A 13 12.499 -2.388 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.935 -1.801 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.934 -0.824 0.165 1.00 0.00 H new ATOM 0 HG SER A 13 15.728 -3.010 -0.021 1.00 0.00 H new ATOM 209 N LEU A 14 13.869 0.127 2.804 1.00 0.00 N ATOM 210 CA LEU A 14 14.236 0.524 4.174 1.00 0.00 C ATOM 211 C LEU A 14 13.127 0.209 5.194 1.00 0.00 C ATOM 212 O LEU A 14 13.430 -0.317 6.267 1.00 0.00 O ATOM 213 CB LEU A 14 14.588 2.022 4.227 1.00 0.00 C ATOM 214 CG LEU A 14 15.910 2.456 3.571 1.00 0.00 C ATOM 215 CD1 LEU A 14 16.012 3.977 3.688 1.00 0.00 C ATOM 216 CD2 LEU A 14 17.133 1.850 4.261 1.00 0.00 C ATOM 0 H LEU A 14 13.905 0.889 2.127 1.00 0.00 H new ATOM 0 HA LEU A 14 15.111 -0.065 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.778 2.577 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.614 2.326 5.273 1.00 0.00 H new ATOM 0 HG LEU A 14 15.902 2.113 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.942 4.316 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.167 4.439 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.000 4.263 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.039 2.188 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.156 2.166 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.076 0.763 4.213 1.00 0.00 H new ATOM 228 N PHE A 15 11.850 0.429 4.850 1.00 0.00 N ATOM 229 CA PHE A 15 10.726 -0.015 5.689 1.00 0.00 C ATOM 230 C PHE A 15 10.741 -1.537 5.930 1.00 0.00 C ATOM 231 O PHE A 15 10.525 -1.982 7.057 1.00 0.00 O ATOM 232 CB PHE A 15 9.381 0.437 5.091 1.00 0.00 C ATOM 233 CG PHE A 15 9.011 1.879 5.388 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.616 2.238 6.690 1.00 0.00 C ATOM 235 CD2 PHE A 15 9.038 2.860 4.380 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.378 3.584 7.017 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.752 4.202 4.692 1.00 0.00 C ATOM 238 CZ PHE A 15 8.452 4.566 6.016 1.00 0.00 C ATOM 0 H PHE A 15 11.569 0.912 3.997 1.00 0.00 H new ATOM 0 HA PHE A 15 10.847 0.461 6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.414 0.299 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.593 -0.213 5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.495 1.474 7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.279 2.582 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.139 3.862 8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.763 4.952 3.915 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.278 5.603 6.264 1.00 0.00 H new ATOM 248 N LYS A 16 11.090 -2.348 4.925 1.00 0.00 N ATOM 249 CA LYS A 16 11.173 -3.815 5.046 1.00 0.00 C ATOM 250 C LYS A 16 12.328 -4.312 5.921 1.00 0.00 C ATOM 251 O LYS A 16 12.180 -5.344 6.569 1.00 0.00 O ATOM 252 CB LYS A 16 11.218 -4.451 3.645 1.00 0.00 C ATOM 253 CG LYS A 16 9.998 -5.327 3.332 1.00 0.00 C ATOM 254 CD LYS A 16 8.632 -4.637 3.486 1.00 0.00 C ATOM 255 CE LYS A 16 8.507 -3.262 2.829 1.00 0.00 C ATOM 256 NZ LYS A 16 8.662 -3.325 1.359 1.00 0.00 N ATOM 0 H LYS A 16 11.326 -2.005 3.994 1.00 0.00 H new ATOM 0 HA LYS A 16 10.271 -4.134 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.289 -3.661 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.121 -5.055 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.088 -5.693 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.021 -6.199 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.866 -5.290 3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.416 -4.532 4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.535 -2.833 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.262 -2.594 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.145 -2.536 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.670 -3.257 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.280 -4.226 1.008 1.00 0.00 H new ATOM 270 N GLN A 17 13.428 -3.565 6.034 1.00 0.00 N ATOM 271 CA GLN A 17 14.493 -3.843 7.019 1.00 0.00 C ATOM 272 C GLN A 17 14.210 -3.236 8.403 1.00 0.00 C ATOM 273 O GLN A 17 15.056 -3.318 9.294 1.00 0.00 O ATOM 274 CB GLN A 17 15.875 -3.415 6.499 1.00 0.00 C ATOM 275 CG GLN A 17 16.428 -4.374 5.436 1.00 0.00 C ATOM 276 CD GLN A 17 15.746 -4.174 4.094 1.00 0.00 C ATOM 277 OE1 GLN A 17 14.835 -4.900 3.703 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.122 -3.145 3.377 1.00 0.00 N ATOM 0 H GLN A 17 13.612 -2.750 5.449 1.00 0.00 H new ATOM 0 HA GLN A 17 14.501 -4.925 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.806 -2.412 6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.573 -3.363 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.501 -4.217 5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.288 -5.403 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.879 -2.544 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.658 -2.944 2.491 1.00 0.00 H new ATOM 287 N GLY A 18 13.039 -2.626 8.596 1.00 0.00 N ATOM 288 CA GLY A 18 12.647 -2.026 9.869 1.00 0.00 C ATOM 289 C GLY A 18 13.195 -0.614 10.091 1.00 0.00 C ATOM 290 O GLY A 18 12.978 -0.049 11.161 1.00 0.00 O ATOM 0 H GLY A 18 12.332 -2.535 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.559 -1.994 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.988 -2.668 10.681 1.00 0.00 H new ATOM 294 N LEU A 19 13.883 -0.016 9.110 1.00 0.00 N ATOM 295 CA LEU A 19 14.593 1.262 9.244 1.00 0.00 C ATOM 296 C LEU A 19 13.657 2.453 9.024 1.00 0.00 C ATOM 297 O LEU A 19 13.886 3.326 8.187 1.00 0.00 O ATOM 298 CB LEU A 19 15.855 1.262 8.357 1.00 0.00 C ATOM 299 CG LEU A 19 16.841 0.109 8.638 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.036 0.217 7.694 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.366 0.114 10.075 1.00 0.00 C ATOM 0 H LEU A 19 13.963 -0.419 8.176 1.00 0.00 H new ATOM 0 HA LEU A 19 14.944 1.379 10.269 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.548 1.213 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.377 2.209 8.492 1.00 0.00 H new ATOM 0 HG LEU A 19 16.291 -0.819 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.732 -0.598 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.691 0.155 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.539 1.171 7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.055 -0.719 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.887 1.052 10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.531 0.013 10.768 1.00 0.00 H new ATOM 313 N TYR A 20 12.565 2.460 9.789 1.00 0.00 N ATOM 314 CA TYR A 20 11.461 3.408 9.661 1.00 0.00 C ATOM 315 C TYR A 20 11.901 4.876 9.793 1.00 0.00 C ATOM 316 O TYR A 20 11.329 5.723 9.113 1.00 0.00 O ATOM 317 CB TYR A 20 10.356 3.085 10.687 1.00 0.00 C ATOM 318 CG TYR A 20 9.917 1.630 10.826 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.827 0.800 9.694 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.552 1.110 12.087 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.341 -0.514 9.807 1.00 0.00 C ATOM 322 CE2 TYR A 20 9.108 -0.225 12.211 1.00 0.00 C ATOM 323 CZ TYR A 20 8.997 -1.045 11.069 1.00 0.00 C ATOM 324 OH TYR A 20 8.590 -2.343 11.170 1.00 0.00 O ATOM 0 H TYR A 20 12.421 1.783 10.539 1.00 0.00 H new ATOM 0 HA TYR A 20 11.069 3.292 8.650 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.696 3.427 11.664 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.477 3.677 10.430 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.134 1.176 8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.613 1.738 12.964 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.230 -1.122 8.921 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.853 -0.619 13.184 1.00 0.00 H new ATOM 0 HH TYR A 20 8.392 -2.552 12.107 1.00 0.00 H new ATOM 334 N ARG A 21 12.929 5.207 10.592 1.00 0.00 N ATOM 335 CA ARG A 21 13.398 6.601 10.758 1.00 0.00 C ATOM 336 C ARG A 21 14.362 7.043 9.657 1.00 0.00 C ATOM 337 O ARG A 21 14.410 8.234 9.357 1.00 0.00 O ATOM 338 CB ARG A 21 13.973 6.852 12.169 1.00 0.00 C ATOM 339 CG ARG A 21 12.890 7.117 13.232 1.00 0.00 C ATOM 340 CD ARG A 21 12.200 5.839 13.721 1.00 0.00 C ATOM 341 NE ARG A 21 11.006 6.129 14.530 1.00 0.00 N ATOM 342 CZ ARG A 21 10.140 5.230 14.962 1.00 0.00 C ATOM 343 NH1 ARG A 21 10.310 3.957 14.753 1.00 0.00 N ATOM 344 NH2 ARG A 21 9.070 5.605 15.596 1.00 0.00 N ATOM 0 H ARG A 21 13.457 4.526 11.138 1.00 0.00 H new ATOM 0 HA ARG A 21 12.515 7.232 10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.565 5.988 12.471 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.651 7.705 12.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.342 7.627 14.083 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.141 7.791 12.818 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.917 5.230 12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.903 5.251 14.311 1.00 0.00 H new ATOM 0 HE ARG A 21 10.833 7.103 14.777 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.130 3.629 14.243 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.623 3.287 15.099 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.896 6.596 15.762 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.403 4.908 15.928 1.00 0.00 H new ATOM 358 N GLU A 22 15.057 6.121 8.990 1.00 0.00 N ATOM 359 CA GLU A 22 15.742 6.415 7.718 1.00 0.00 C ATOM 360 C GLU A 22 14.739 6.502 6.552 1.00 0.00 C ATOM 361 O GLU A 22 14.881 7.360 5.678 1.00 0.00 O ATOM 362 CB GLU A 22 16.824 5.356 7.417 1.00 0.00 C ATOM 363 CG GLU A 22 18.028 5.458 8.365 1.00 0.00 C ATOM 364 CD GLU A 22 19.078 4.352 8.161 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.359 3.949 7.007 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.712 3.941 9.168 1.00 0.00 O ATOM 0 H GLU A 22 15.164 5.157 9.307 1.00 0.00 H new ATOM 0 HA GLU A 22 16.227 7.385 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.386 4.361 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.165 5.472 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.505 6.428 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.672 5.421 9.394 1.00 0.00 H new ATOM 374 N ALA A 23 13.696 5.662 6.555 1.00 0.00 N ATOM 375 CA ALA A 23 12.687 5.599 5.492 1.00 0.00 C ATOM 376 C ALA A 23 11.668 6.756 5.519 1.00 0.00 C ATOM 377 O ALA A 23 11.319 7.303 4.473 1.00 0.00 O ATOM 378 CB ALA A 23 11.996 4.237 5.586 1.00 0.00 C ATOM 0 H ALA A 23 13.528 4.996 7.309 1.00 0.00 H new ATOM 0 HA ALA A 23 13.193 5.714 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.238 4.159 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.734 3.445 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.524 4.135 6.563 1.00 0.00 H new ATOM 384 N VAL A 24 11.233 7.205 6.700 1.00 0.00 N ATOM 385 CA VAL A 24 10.424 8.429 6.856 1.00 0.00 C ATOM 386 C VAL A 24 11.223 9.666 6.447 1.00 0.00 C ATOM 387 O VAL A 24 10.669 10.548 5.793 1.00 0.00 O ATOM 388 CB VAL A 24 9.864 8.525 8.291 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.325 9.910 8.649 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.719 7.518 8.481 1.00 0.00 C ATOM 0 H VAL A 24 11.430 6.731 7.582 1.00 0.00 H new ATOM 0 HA VAL A 24 9.568 8.378 6.183 1.00 0.00 H new ATOM 0 HB VAL A 24 10.707 8.309 8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.949 9.901 9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.125 10.645 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.516 10.173 7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.332 7.595 9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.921 7.736 7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.091 6.508 8.310 1.00 0.00 H new ATOM 400 N HIS A 25 12.533 9.707 6.707 1.00 0.00 N ATOM 401 CA HIS A 25 13.407 10.768 6.193 1.00 0.00 C ATOM 402 C HIS A 25 13.416 10.822 4.658 1.00 0.00 C ATOM 403 O HIS A 25 13.426 11.914 4.087 1.00 0.00 O ATOM 404 CB HIS A 25 14.811 10.571 6.785 1.00 0.00 C ATOM 405 CG HIS A 25 15.668 11.803 6.763 1.00 0.00 C ATOM 406 ND1 HIS A 25 16.236 12.392 5.659 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.059 12.525 7.855 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.946 13.455 6.067 1.00 0.00 C ATOM 409 NE2 HIS A 25 16.857 13.588 7.405 1.00 0.00 N ATOM 0 H HIS A 25 13.016 9.011 7.276 1.00 0.00 H new ATOM 0 HA HIS A 25 13.022 11.738 6.507 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.714 10.229 7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.318 9.780 6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.800 12.315 8.882 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.508 14.109 5.417 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.285 14.316 7.977 1.00 0.00 H new ATOM 418 N CYS A 26 13.286 9.674 3.982 1.00 0.00 N ATOM 419 CA CYS A 26 13.137 9.633 2.529 1.00 0.00 C ATOM 420 C CYS A 26 11.831 10.293 2.053 1.00 0.00 C ATOM 421 O CYS A 26 11.864 10.971 1.028 1.00 0.00 O ATOM 422 CB CYS A 26 13.269 8.194 2.012 1.00 0.00 C ATOM 423 SG CYS A 26 14.894 7.502 2.442 1.00 0.00 S ATOM 0 H CYS A 26 13.282 8.756 4.426 1.00 0.00 H new ATOM 0 HA CYS A 26 13.948 10.223 2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.480 7.575 2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.136 8.177 0.930 1.00 0.00 H new ATOM 0 HG CYS A 26 14.995 7.403 3.734 1.00 0.00 H new ATOM 429 N TYR A 27 10.701 10.178 2.781 1.00 0.00 N ATOM 430 CA TYR A 27 9.440 10.789 2.313 1.00 0.00 C ATOM 431 C TYR A 27 9.459 12.324 2.275 1.00 0.00 C ATOM 432 O TYR A 27 8.820 12.906 1.399 1.00 0.00 O ATOM 433 CB TYR A 27 8.157 10.172 2.922 1.00 0.00 C ATOM 434 CG TYR A 27 7.583 10.663 4.252 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.201 12.009 4.457 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.252 9.710 5.237 1.00 0.00 C ATOM 437 CE1 TYR A 27 6.583 12.406 5.661 1.00 0.00 C ATOM 438 CE2 TYR A 27 6.575 10.091 6.411 1.00 0.00 C ATOM 439 CZ TYR A 27 6.273 11.446 6.650 1.00 0.00 C ATOM 440 OH TYR A 27 5.686 11.804 7.825 1.00 0.00 O ATOM 0 H TYR A 27 10.634 9.683 3.670 1.00 0.00 H new ATOM 0 HA TYR A 27 9.383 10.502 1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.369 10.283 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.342 9.104 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.384 12.740 3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.521 8.675 5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.346 13.447 5.827 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.286 9.341 7.132 1.00 0.00 H new ATOM 0 HH TYR A 27 5.549 11.007 8.378 1.00 0.00 H new ATOM 450 N ASP A 28 10.226 12.992 3.146 1.00 0.00 N ATOM 451 CA ASP A 28 10.412 14.453 3.036 1.00 0.00 C ATOM 452 C ASP A 28 11.211 14.842 1.779 1.00 0.00 C ATOM 453 O ASP A 28 10.870 15.829 1.128 1.00 0.00 O ATOM 454 CB ASP A 28 11.057 15.024 4.311 1.00 0.00 C ATOM 455 CG ASP A 28 11.090 16.561 4.339 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.184 17.140 4.557 1.00 0.00 O ATOM 457 OD2 ASP A 28 10.013 17.201 4.229 1.00 0.00 O ATOM 0 H ASP A 28 10.722 12.557 3.924 1.00 0.00 H new ATOM 0 HA ASP A 28 9.423 14.898 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.508 14.663 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.075 14.644 4.397 1.00 0.00 H new ATOM 463 N GLN A 29 12.209 14.039 1.373 1.00 0.00 N ATOM 464 CA GLN A 29 13.002 14.334 0.162 1.00 0.00 C ATOM 465 C GLN A 29 12.146 14.354 -1.117 1.00 0.00 C ATOM 466 O GLN A 29 12.398 15.158 -2.019 1.00 0.00 O ATOM 467 CB GLN A 29 14.172 13.347 -0.046 1.00 0.00 C ATOM 468 CG GLN A 29 15.070 13.049 1.163 1.00 0.00 C ATOM 469 CD GLN A 29 15.328 14.253 2.060 1.00 0.00 C ATOM 470 OE1 GLN A 29 15.948 15.245 1.684 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.828 14.216 3.272 1.00 0.00 N ATOM 0 H GLN A 29 12.486 13.186 1.860 1.00 0.00 H new ATOM 0 HA GLN A 29 13.407 15.331 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.757 12.403 -0.398 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.802 13.736 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.610 12.259 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.025 12.664 0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.313 13.394 3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.954 15.010 3.900 1.00 0.00 H new ATOM 480 N LEU A 30 11.111 13.508 -1.197 1.00 0.00 N ATOM 481 CA LEU A 30 10.217 13.435 -2.368 1.00 0.00 C ATOM 482 C LEU A 30 9.425 14.736 -2.532 1.00 0.00 C ATOM 483 O LEU A 30 9.184 15.179 -3.654 1.00 0.00 O ATOM 484 CB LEU A 30 9.214 12.258 -2.270 1.00 0.00 C ATOM 485 CG LEU A 30 9.672 11.006 -1.509 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.516 10.024 -1.337 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.842 10.276 -2.158 1.00 0.00 C ATOM 0 H LEU A 30 10.867 12.853 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 30 10.861 13.275 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.305 12.628 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.946 11.958 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 30 10.016 11.373 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.863 9.144 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.713 10.502 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.145 9.723 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.104 9.404 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.560 9.956 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.700 10.946 -2.219 1.00 0.00 H new ATOM 499 N ILE A 31 9.025 15.332 -1.403 1.00 0.00 N ATOM 500 CA ILE A 31 8.221 16.559 -1.342 1.00 0.00 C ATOM 501 C ILE A 31 9.116 17.795 -1.505 1.00 0.00 C ATOM 502 O ILE A 31 8.717 18.728 -2.187 1.00 0.00 O ATOM 503 CB ILE A 31 7.370 16.603 -0.046 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.499 15.330 0.113 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.456 17.843 -0.056 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.817 15.192 1.481 1.00 0.00 C ATOM 0 H ILE A 31 9.258 14.964 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 31 7.517 16.561 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 31 8.060 16.654 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.733 15.330 -0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.124 14.454 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.863 17.865 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.066 18.744 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.792 17.798 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.229 14.274 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.575 15.157 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.162 16.047 1.649 1.00 0.00 H new ATOM 518 N THR A 32 10.348 17.811 -0.987 1.00 0.00 N ATOM 519 CA THR A 32 11.276 18.945 -1.202 1.00 0.00 C ATOM 520 C THR A 32 11.651 19.130 -2.681 1.00 0.00 C ATOM 521 O THR A 32 11.815 20.264 -3.138 1.00 0.00 O ATOM 522 CB THR A 32 12.527 18.800 -0.323 1.00 0.00 C ATOM 523 OG1 THR A 32 12.127 18.725 1.027 1.00 0.00 O ATOM 524 CG2 THR A 32 13.465 20.001 -0.420 1.00 0.00 C ATOM 0 H THR A 32 10.733 17.058 -0.416 1.00 0.00 H new ATOM 0 HA THR A 32 10.748 19.850 -0.903 1.00 0.00 H new ATOM 0 HB THR A 32 13.049 17.908 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.695 17.861 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.330 19.840 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.797 20.121 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.938 20.901 -0.101 1.00 0.00 H new ATOM 532 N ALA A 33 11.711 18.050 -3.467 1.00 0.00 N ATOM 533 CA ALA A 33 11.841 18.141 -4.926 1.00 0.00 C ATOM 534 C ALA A 33 10.528 18.530 -5.639 1.00 0.00 C ATOM 535 O ALA A 33 10.564 19.146 -6.707 1.00 0.00 O ATOM 536 CB ALA A 33 12.369 16.799 -5.436 1.00 0.00 C ATOM 0 H ALA A 33 11.671 17.094 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 33 12.537 18.947 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.476 16.838 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.339 16.594 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.669 16.007 -5.169 1.00 0.00 H new ATOM 542 N GLN A 34 9.369 18.173 -5.070 1.00 0.00 N ATOM 543 CA GLN A 34 8.051 18.267 -5.717 1.00 0.00 C ATOM 544 C GLN A 34 6.974 18.881 -4.776 1.00 0.00 C ATOM 545 O GLN A 34 5.998 18.201 -4.437 1.00 0.00 O ATOM 546 CB GLN A 34 7.656 16.858 -6.215 1.00 0.00 C ATOM 547 CG GLN A 34 8.682 16.146 -7.115 1.00 0.00 C ATOM 548 CD GLN A 34 8.340 14.673 -7.291 1.00 0.00 C ATOM 549 OE1 GLN A 34 7.874 14.231 -8.333 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.545 13.871 -6.266 1.00 0.00 N ATOM 0 H GLN A 34 9.320 17.801 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 34 8.112 18.949 -6.565 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.466 16.228 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.717 16.938 -6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.713 16.633 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.677 16.240 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.933 14.241 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.315 12.880 -6.340 1.00 0.00 H new ATOM 559 N PRO A 35 7.118 20.145 -4.309 1.00 0.00 N ATOM 560 CA PRO A 35 6.399 20.639 -3.125 1.00 0.00 C ATOM 561 C PRO A 35 4.874 20.712 -3.211 1.00 0.00 C ATOM 562 O PRO A 35 4.208 20.672 -2.170 1.00 0.00 O ATOM 563 CB PRO A 35 6.945 22.046 -2.882 1.00 0.00 C ATOM 564 CG PRO A 35 8.364 21.978 -3.438 1.00 0.00 C ATOM 565 CD PRO A 35 8.157 21.107 -4.674 1.00 0.00 C ATOM 0 HA PRO A 35 6.571 19.919 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.349 22.802 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.941 22.301 -1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.755 22.964 -3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.062 21.530 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.851 21.708 -5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.080 20.599 -4.955 1.00 0.00 H new ATOM 573 N GLN A 36 4.327 20.838 -4.421 1.00 0.00 N ATOM 574 CA GLN A 36 2.891 20.991 -4.672 1.00 0.00 C ATOM 575 C GLN A 36 2.339 19.847 -5.552 1.00 0.00 C ATOM 576 O GLN A 36 1.340 20.026 -6.251 1.00 0.00 O ATOM 577 CB GLN A 36 2.606 22.399 -5.230 1.00 0.00 C ATOM 578 CG GLN A 36 1.190 22.916 -4.898 1.00 0.00 C ATOM 579 CD GLN A 36 1.064 23.471 -3.480 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.444 22.897 -2.591 1.00 0.00 O ATOM 581 NE2 GLN A 36 1.616 24.633 -3.216 1.00 0.00 N ATOM 0 H GLN A 36 4.883 20.837 -5.276 1.00 0.00 H new ATOM 0 HA GLN A 36 2.349 20.906 -3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.342 23.096 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.735 22.386 -6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.919 23.695 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.475 22.104 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.136 25.127 -3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.525 25.041 -2.286 1.00 0.00 H new ATOM 590 N ASN A 37 3.006 18.682 -5.578 1.00 0.00 N ATOM 591 CA ASN A 37 2.563 17.521 -6.357 1.00 0.00 C ATOM 592 C ASN A 37 1.974 16.398 -5.476 1.00 0.00 C ATOM 593 O ASN A 37 2.692 15.830 -4.644 1.00 0.00 O ATOM 594 CB ASN A 37 3.699 16.972 -7.229 1.00 0.00 C ATOM 595 CG ASN A 37 3.766 17.648 -8.582 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.327 18.720 -8.759 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.150 17.030 -9.559 1.00 0.00 N ATOM 0 H ASN A 37 3.869 18.521 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 37 1.761 17.877 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.649 17.107 -6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.561 15.900 -7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.131 17.442 -10.492 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.689 16.136 -9.387 1.00 0.00 H new ATOM 604 N PRO A 38 0.720 15.967 -5.721 1.00 0.00 N ATOM 605 CA PRO A 38 0.115 14.828 -5.026 1.00 0.00 C ATOM 606 C PRO A 38 0.838 13.478 -5.187 1.00 0.00 C ATOM 607 O PRO A 38 0.593 12.576 -4.385 1.00 0.00 O ATOM 608 CB PRO A 38 -1.346 14.781 -5.489 1.00 0.00 C ATOM 609 CG PRO A 38 -1.367 15.601 -6.777 1.00 0.00 C ATOM 610 CD PRO A 38 -0.260 16.616 -6.581 1.00 0.00 C ATOM 0 HA PRO A 38 0.201 14.987 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.673 13.756 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.014 15.204 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.186 14.976 -7.651 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.332 16.086 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.184 16.901 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.641 17.528 -6.122 1.00 0.00 H new ATOM 618 N VAL A 39 1.776 13.324 -6.127 1.00 0.00 N ATOM 619 CA VAL A 39 2.720 12.184 -6.181 1.00 0.00 C ATOM 620 C VAL A 39 3.552 12.042 -4.895 1.00 0.00 C ATOM 621 O VAL A 39 3.740 10.922 -4.414 1.00 0.00 O ATOM 622 CB VAL A 39 3.597 12.296 -7.446 1.00 0.00 C ATOM 623 CG1 VAL A 39 4.840 13.178 -7.288 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.021 10.906 -7.911 1.00 0.00 C ATOM 0 H VAL A 39 1.909 13.992 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 39 2.141 11.263 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 39 2.970 12.787 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.394 13.197 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.536 14.191 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.475 12.774 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.640 10.994 -8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.591 10.416 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.135 10.313 -8.140 1.00 0.00 H new ATOM 634 N GLY A 40 3.972 13.153 -4.276 1.00 0.00 N ATOM 635 CA GLY A 40 4.691 13.140 -2.999 1.00 0.00 C ATOM 636 C GLY A 40 3.778 12.728 -1.844 1.00 0.00 C ATOM 637 O GLY A 40 4.130 11.850 -1.059 1.00 0.00 O ATOM 0 H GLY A 40 3.821 14.090 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.533 12.451 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.103 14.130 -2.803 1.00 0.00 H new ATOM 641 N TYR A 41 2.559 13.274 -1.792 1.00 0.00 N ATOM 642 CA TYR A 41 1.564 12.944 -0.758 1.00 0.00 C ATOM 643 C TYR A 41 1.105 11.475 -0.859 1.00 0.00 C ATOM 644 O TYR A 41 0.981 10.787 0.153 1.00 0.00 O ATOM 645 CB TYR A 41 0.371 13.914 -0.858 1.00 0.00 C ATOM 646 CG TYR A 41 0.692 15.397 -1.034 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.886 15.968 -0.534 1.00 0.00 C ATOM 648 CD2 TYR A 41 -0.204 16.202 -1.763 1.00 0.00 C ATOM 649 CE1 TYR A 41 2.221 17.302 -0.844 1.00 0.00 C ATOM 650 CE2 TYR A 41 0.129 17.533 -2.074 1.00 0.00 C ATOM 651 CZ TYR A 41 1.350 18.079 -1.633 1.00 0.00 C ATOM 652 OH TYR A 41 1.671 19.349 -1.990 1.00 0.00 O ATOM 0 H TYR A 41 2.230 13.962 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 41 2.030 13.060 0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.250 13.601 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.231 13.803 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.544 15.379 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.151 15.796 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.144 17.727 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.554 18.138 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 41 2.643 19.467 -1.940 1.00 0.00 H new ATOM 662 N SER A 42 0.958 10.954 -2.083 1.00 0.00 N ATOM 663 CA SER A 42 0.695 9.530 -2.357 1.00 0.00 C ATOM 664 C SER A 42 1.810 8.631 -1.821 1.00 0.00 C ATOM 665 O SER A 42 1.545 7.554 -1.288 1.00 0.00 O ATOM 666 CB SER A 42 0.576 9.276 -3.865 1.00 0.00 C ATOM 667 OG SER A 42 -0.426 10.081 -4.451 1.00 0.00 O ATOM 0 H SER A 42 1.019 11.519 -2.930 1.00 0.00 H new ATOM 0 HA SER A 42 -0.241 9.290 -1.853 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.533 9.479 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.348 8.225 -4.040 1.00 0.00 H new ATOM 0 HG SER A 42 -0.123 11.013 -4.478 1.00 0.00 H new ATOM 673 N ASN A 43 3.064 9.083 -1.915 1.00 0.00 N ATOM 674 CA ASN A 43 4.216 8.333 -1.421 1.00 0.00 C ATOM 675 C ASN A 43 4.432 8.493 0.100 1.00 0.00 C ATOM 676 O ASN A 43 4.913 7.560 0.742 1.00 0.00 O ATOM 677 CB ASN A 43 5.439 8.643 -2.293 1.00 0.00 C ATOM 678 CG ASN A 43 5.407 7.816 -3.569 1.00 0.00 C ATOM 679 OD1 ASN A 43 6.055 6.793 -3.660 1.00 0.00 O ATOM 680 ND2 ASN A 43 4.642 8.201 -4.564 1.00 0.00 N ATOM 0 H ASN A 43 3.306 9.980 -2.336 1.00 0.00 H new ATOM 0 HA ASN A 43 4.022 7.265 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.457 9.704 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.352 8.430 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.591 7.641 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.098 9.060 -4.486 1.00 0.00 H new ATOM 687 N LYS A 44 3.969 9.590 0.718 1.00 0.00 N ATOM 688 CA LYS A 44 3.807 9.682 2.182 1.00 0.00 C ATOM 689 C LYS A 44 2.726 8.716 2.694 1.00 0.00 C ATOM 690 O LYS A 44 2.955 8.028 3.685 1.00 0.00 O ATOM 691 CB LYS A 44 3.565 11.147 2.595 1.00 0.00 C ATOM 692 CG LYS A 44 3.392 11.280 4.118 1.00 0.00 C ATOM 693 CD LYS A 44 3.257 12.740 4.569 1.00 0.00 C ATOM 694 CE LYS A 44 2.926 12.765 6.066 1.00 0.00 C ATOM 695 NZ LYS A 44 2.863 14.140 6.607 1.00 0.00 N ATOM 0 H LYS A 44 3.696 10.438 0.221 1.00 0.00 H new ATOM 0 HA LYS A 44 4.731 9.362 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.403 11.762 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.676 11.526 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.508 10.724 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.247 10.826 4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.184 13.281 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.473 13.240 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.970 12.268 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.680 12.197 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.637 14.104 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.782 14.608 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.126 14.677 6.107 1.00 0.00 H new ATOM 709 N ALA A 45 1.599 8.571 1.992 1.00 0.00 N ATOM 710 CA ALA A 45 0.593 7.552 2.321 1.00 0.00 C ATOM 711 C ALA A 45 1.136 6.112 2.174 1.00 0.00 C ATOM 712 O ALA A 45 0.878 5.269 3.032 1.00 0.00 O ATOM 713 CB ALA A 45 -0.663 7.800 1.477 1.00 0.00 C ATOM 0 H ALA A 45 1.358 9.149 1.187 1.00 0.00 H new ATOM 0 HA ALA A 45 0.330 7.644 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.415 7.048 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.059 8.792 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.409 7.737 0.419 1.00 0.00 H new ATOM 719 N MET A 46 1.953 5.848 1.145 1.00 0.00 N ATOM 720 CA MET A 46 2.707 4.594 0.975 1.00 0.00 C ATOM 721 C MET A 46 3.682 4.343 2.141 1.00 0.00 C ATOM 722 O MET A 46 3.695 3.239 2.680 1.00 0.00 O ATOM 723 CB MET A 46 3.389 4.632 -0.402 1.00 0.00 C ATOM 724 CG MET A 46 4.299 3.472 -0.809 1.00 0.00 C ATOM 725 SD MET A 46 3.688 1.783 -0.616 1.00 0.00 S ATOM 726 CE MET A 46 5.160 0.943 -1.274 1.00 0.00 C ATOM 0 H MET A 46 2.113 6.514 0.389 1.00 0.00 H new ATOM 0 HA MET A 46 2.030 3.740 1.003 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.606 4.716 -1.155 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.979 5.547 -0.452 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.563 3.611 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.221 3.558 -0.234 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.141 -0.107 -0.981 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.165 1.016 -2.362 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.057 1.415 -0.875 1.00 0.00 H new ATOM 736 N ALA A 47 4.419 5.357 2.617 1.00 0.00 N ATOM 737 CA ALA A 47 5.245 5.246 3.829 1.00 0.00 C ATOM 738 C ALA A 47 4.410 4.902 5.081 1.00 0.00 C ATOM 739 O ALA A 47 4.787 4.012 5.842 1.00 0.00 O ATOM 740 CB ALA A 47 6.044 6.548 4.029 1.00 0.00 C ATOM 0 H ALA A 47 4.460 6.275 2.174 1.00 0.00 H new ATOM 0 HA ALA A 47 5.939 4.417 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.656 6.465 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.688 6.716 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.354 7.385 4.136 1.00 0.00 H new ATOM 746 N LEU A 48 3.255 5.549 5.273 1.00 0.00 N ATOM 747 CA LEU A 48 2.371 5.309 6.423 1.00 0.00 C ATOM 748 C LEU A 48 1.850 3.861 6.471 1.00 0.00 C ATOM 749 O LEU A 48 1.923 3.230 7.526 1.00 0.00 O ATOM 750 CB LEU A 48 1.219 6.336 6.414 1.00 0.00 C ATOM 751 CG LEU A 48 1.651 7.758 6.828 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.581 8.776 6.424 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.866 7.867 8.341 1.00 0.00 C ATOM 0 H LEU A 48 2.903 6.259 4.631 1.00 0.00 H new ATOM 0 HA LEU A 48 2.953 5.444 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.786 6.374 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.434 5.994 7.088 1.00 0.00 H new ATOM 0 HG LEU A 48 2.591 7.966 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.898 9.775 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.441 8.747 5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.359 8.531 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.169 8.883 8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.937 7.626 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.644 7.169 8.649 1.00 0.00 H new ATOM 765 N ILE A 49 1.404 3.283 5.345 1.00 0.00 N ATOM 766 CA ILE A 49 0.978 1.868 5.310 1.00 0.00 C ATOM 767 C ILE A 49 2.156 0.889 5.457 1.00 0.00 C ATOM 768 O ILE A 49 1.997 -0.175 6.057 1.00 0.00 O ATOM 769 CB ILE A 49 0.088 1.544 4.085 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.838 1.645 2.741 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.152 2.453 4.097 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.024 1.364 1.504 1.00 0.00 C ATOM 0 H ILE A 49 1.328 3.767 4.450 1.00 0.00 H new ATOM 0 HA ILE A 49 0.351 1.722 6.190 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.218 0.502 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.263 2.645 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.673 0.944 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.779 2.225 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.719 2.283 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.839 3.496 4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.587 1.458 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.428 0.353 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.844 2.081 1.462 1.00 0.00 H new ATOM 784 N LYS A 50 3.366 1.271 5.018 1.00 0.00 N ATOM 785 CA LYS A 50 4.602 0.493 5.230 1.00 0.00 C ATOM 786 C LYS A 50 5.156 0.578 6.667 1.00 0.00 C ATOM 787 O LYS A 50 6.007 -0.237 7.031 1.00 0.00 O ATOM 788 CB LYS A 50 5.644 0.877 4.153 1.00 0.00 C ATOM 789 CG LYS A 50 6.266 -0.313 3.402 1.00 0.00 C ATOM 790 CD LYS A 50 5.274 -1.239 2.672 1.00 0.00 C ATOM 791 CE LYS A 50 4.301 -0.479 1.768 1.00 0.00 C ATOM 792 NZ LYS A 50 3.400 -1.413 1.057 1.00 0.00 N ATOM 0 H LYS A 50 3.518 2.137 4.501 1.00 0.00 H new ATOM 0 HA LYS A 50 4.354 -0.562 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.169 1.538 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.443 1.446 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.977 0.074 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.835 -0.911 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.831 -1.959 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.707 -1.808 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.712 0.217 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.859 0.115 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.590 -0.888 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.918 -1.871 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.058 -2.138 1.720 1.00 0.00 H new ATOM 806 N LEU A 51 4.627 1.485 7.498 1.00 0.00 N ATOM 807 CA LEU A 51 4.820 1.564 8.961 1.00 0.00 C ATOM 808 C LEU A 51 3.614 0.992 9.752 1.00 0.00 C ATOM 809 O LEU A 51 3.666 0.863 10.978 1.00 0.00 O ATOM 810 CB LEU A 51 5.123 3.032 9.341 1.00 0.00 C ATOM 811 CG LEU A 51 6.307 3.227 10.311 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.530 4.724 10.536 1.00 0.00 C ATOM 813 CD2 LEU A 51 6.123 2.574 11.680 1.00 0.00 C ATOM 0 H LEU A 51 4.018 2.227 7.153 1.00 0.00 H new ATOM 0 HA LEU A 51 5.667 0.937 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.325 3.593 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.230 3.466 9.791 1.00 0.00 H new ATOM 0 HG LEU A 51 7.158 2.740 9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.366 4.868 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.753 5.206 9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.630 5.166 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.003 2.763 12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.243 2.994 12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.991 1.499 11.556 1.00 0.00 H new ATOM 825 N GLY A 52 2.518 0.643 9.071 1.00 0.00 N ATOM 826 CA GLY A 52 1.293 0.105 9.677 1.00 0.00 C ATOM 827 C GLY A 52 0.312 1.147 10.239 1.00 0.00 C ATOM 828 O GLY A 52 -0.600 0.794 10.987 1.00 0.00 O ATOM 0 H GLY A 52 2.455 0.729 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.771 -0.491 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.576 -0.572 10.483 1.00 0.00 H new ATOM 832 N GLU A 53 0.475 2.427 9.897 1.00 0.00 N ATOM 833 CA GLU A 53 -0.392 3.540 10.320 1.00 0.00 C ATOM 834 C GLU A 53 -1.542 3.751 9.313 1.00 0.00 C ATOM 835 O GLU A 53 -1.779 4.850 8.800 1.00 0.00 O ATOM 836 CB GLU A 53 0.440 4.806 10.608 1.00 0.00 C ATOM 837 CG GLU A 53 1.603 4.627 11.598 1.00 0.00 C ATOM 838 CD GLU A 53 1.113 4.449 13.039 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.751 3.310 13.429 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.059 5.452 13.797 1.00 0.00 O ATOM 0 H GLU A 53 1.241 2.733 9.296 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.873 3.286 11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.843 5.176 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.227 5.577 10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.195 3.759 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.261 5.494 11.544 1.00 0.00 H new ATOM 848 N TYR A 54 -2.248 2.657 8.999 1.00 0.00 N ATOM 849 CA TYR A 54 -3.295 2.594 7.970 1.00 0.00 C ATOM 850 C TYR A 54 -4.402 3.641 8.192 1.00 0.00 C ATOM 851 O TYR A 54 -4.849 4.286 7.244 1.00 0.00 O ATOM 852 CB TYR A 54 -3.885 1.168 7.919 1.00 0.00 C ATOM 853 CG TYR A 54 -2.873 0.033 7.936 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.009 -0.153 6.842 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.790 -0.834 9.045 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.055 -1.185 6.864 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.861 -1.896 9.051 1.00 0.00 C ATOM 858 CZ TYR A 54 -0.989 -2.074 7.955 1.00 0.00 C ATOM 859 OH TYR A 54 -0.058 -3.066 7.955 1.00 0.00 O ATOM 0 H TYR A 54 -2.102 1.763 9.469 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.836 2.831 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.558 1.043 8.767 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.490 1.077 7.017 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.079 0.498 5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.441 -0.684 9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.368 -1.297 6.039 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.817 -2.572 9.893 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.421 -3.855 7.500 1.00 0.00 H new ATOM 869 N THR A 55 -4.764 3.895 9.453 1.00 0.00 N ATOM 870 CA THR A 55 -5.770 4.893 9.859 1.00 0.00 C ATOM 871 C THR A 55 -5.363 6.337 9.542 1.00 0.00 C ATOM 872 O THR A 55 -6.240 7.185 9.364 1.00 0.00 O ATOM 873 CB THR A 55 -6.082 4.738 11.357 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.443 3.399 11.630 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.231 5.614 11.848 1.00 0.00 C ATOM 0 H THR A 55 -4.356 3.400 10.246 1.00 0.00 H new ATOM 0 HA THR A 55 -6.665 4.696 9.268 1.00 0.00 H new ATOM 0 HB THR A 55 -5.173 5.045 11.875 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.640 3.301 12.585 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.387 5.446 12.914 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.987 6.663 11.678 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.140 5.360 11.303 1.00 0.00 H new ATOM 883 N GLN A 56 -4.064 6.633 9.393 1.00 0.00 N ATOM 884 CA GLN A 56 -3.621 7.938 8.877 1.00 0.00 C ATOM 885 C GLN A 56 -3.701 7.973 7.343 1.00 0.00 C ATOM 886 O GLN A 56 -4.116 8.968 6.746 1.00 0.00 O ATOM 887 CB GLN A 56 -2.190 8.271 9.330 1.00 0.00 C ATOM 888 CG GLN A 56 -1.857 7.963 10.793 1.00 0.00 C ATOM 889 CD GLN A 56 -2.905 8.369 11.812 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.131 9.538 12.111 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.548 7.408 12.429 1.00 0.00 N ATOM 0 H GLN A 56 -3.305 5.991 9.621 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.293 8.691 9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.493 7.722 8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.013 9.332 9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.683 6.891 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.921 8.462 11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.366 6.434 12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.231 7.634 13.152 1.00 0.00 H new ATOM 900 N ALA A 57 -3.336 6.865 6.689 1.00 0.00 N ATOM 901 CA ALA A 57 -3.289 6.771 5.233 1.00 0.00 C ATOM 902 C ALA A 57 -4.679 6.900 4.584 1.00 0.00 C ATOM 903 O ALA A 57 -4.797 7.557 3.550 1.00 0.00 O ATOM 904 CB ALA A 57 -2.596 5.462 4.847 1.00 0.00 C ATOM 0 H ALA A 57 -3.064 6.004 7.163 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.714 7.613 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.554 5.379 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.584 5.453 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.156 4.620 5.254 1.00 0.00 H new ATOM 910 N ILE A 58 -5.737 6.347 5.194 1.00 0.00 N ATOM 911 CA ILE A 58 -7.112 6.466 4.671 1.00 0.00 C ATOM 912 C ILE A 58 -7.622 7.918 4.636 1.00 0.00 C ATOM 913 O ILE A 58 -8.327 8.292 3.696 1.00 0.00 O ATOM 914 CB ILE A 58 -8.097 5.529 5.408 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.224 5.865 6.910 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.695 4.058 5.190 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.237 4.992 7.662 1.00 0.00 C ATOM 0 H ILE A 58 -5.669 5.808 6.057 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.065 6.136 3.633 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.086 5.688 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.247 5.756 7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.513 6.911 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.396 3.408 5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.715 3.829 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.689 3.894 5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.267 5.290 8.710 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.225 5.119 7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.939 3.946 7.591 1.00 0.00 H new ATOM 929 N GLN A 59 -7.209 8.767 5.588 1.00 0.00 N ATOM 930 CA GLN A 59 -7.454 10.214 5.521 1.00 0.00 C ATOM 931 C GLN A 59 -6.564 10.873 4.459 1.00 0.00 C ATOM 932 O GLN A 59 -7.063 11.608 3.607 1.00 0.00 O ATOM 933 CB GLN A 59 -7.307 10.845 6.914 1.00 0.00 C ATOM 934 CG GLN A 59 -7.453 12.384 6.929 1.00 0.00 C ATOM 935 CD GLN A 59 -6.169 13.152 6.596 1.00 0.00 C ATOM 936 OE1 GLN A 59 -5.056 12.715 6.858 1.00 0.00 O ATOM 937 NE2 GLN A 59 -6.260 14.334 6.029 1.00 0.00 N ATOM 0 H GLN A 59 -6.699 8.472 6.421 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.482 10.391 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.056 10.413 7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.331 10.579 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.226 12.669 6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.800 12.693 7.915 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.176 14.721 5.800 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.415 14.865 5.817 1.00 0.00 H new ATOM 946 N MET A 60 -5.259 10.575 4.451 1.00 0.00 N ATOM 947 CA MET A 60 -4.307 11.230 3.547 1.00 0.00 C ATOM 948 C MET A 60 -4.583 10.955 2.058 1.00 0.00 C ATOM 949 O MET A 60 -4.374 11.837 1.223 1.00 0.00 O ATOM 950 CB MET A 60 -2.879 10.848 3.951 1.00 0.00 C ATOM 951 CG MET A 60 -1.838 11.656 3.163 1.00 0.00 C ATOM 952 SD MET A 60 -0.237 11.815 3.993 1.00 0.00 S ATOM 953 CE MET A 60 -0.670 13.113 5.190 1.00 0.00 C ATOM 0 H MET A 60 -4.836 9.879 5.065 1.00 0.00 H new ATOM 0 HA MET A 60 -4.435 12.307 3.655 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.743 11.020 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.723 9.783 3.777 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.686 11.183 2.193 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.236 12.653 2.973 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.085 14.009 4.983 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.732 13.345 5.107 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.453 12.764 6.200 1.00 0.00 H new ATOM 963 N CYS A 61 -5.115 9.780 1.704 1.00 0.00 N ATOM 964 CA CYS A 61 -5.508 9.490 0.321 1.00 0.00 C ATOM 965 C CYS A 61 -6.728 10.318 -0.111 1.00 0.00 C ATOM 966 O CYS A 61 -6.735 10.866 -1.210 1.00 0.00 O ATOM 967 CB CYS A 61 -5.729 7.982 0.127 1.00 0.00 C ATOM 968 SG CYS A 61 -4.200 7.096 0.521 1.00 0.00 S ATOM 0 H CYS A 61 -5.283 9.014 2.357 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.689 9.789 -0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.539 7.636 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.027 7.776 -0.901 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.054 7.035 1.811 1.00 0.00 H new ATOM 974 N GLN A 62 -7.719 10.502 0.766 1.00 0.00 N ATOM 975 CA GLN A 62 -8.877 11.364 0.491 1.00 0.00 C ATOM 976 C GLN A 62 -8.470 12.853 0.453 1.00 0.00 C ATOM 977 O GLN A 62 -8.885 13.583 -0.446 1.00 0.00 O ATOM 978 CB GLN A 62 -10.002 11.041 1.492 1.00 0.00 C ATOM 979 CG GLN A 62 -10.563 9.625 1.240 1.00 0.00 C ATOM 980 CD GLN A 62 -11.598 9.191 2.273 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.802 9.292 2.065 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.177 8.681 3.408 1.00 0.00 N ATOM 0 H GLN A 62 -7.743 10.060 1.685 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.270 11.158 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.621 11.111 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.801 11.777 1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.014 9.592 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.740 8.911 1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.177 8.594 3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.850 8.372 4.109 1.00 0.00 H new ATOM 991 N GLN A 63 -7.526 13.281 1.301 1.00 0.00 N ATOM 992 CA GLN A 63 -6.866 14.587 1.176 1.00 0.00 C ATOM 993 C GLN A 63 -6.126 14.753 -0.164 1.00 0.00 C ATOM 994 O GLN A 63 -6.029 15.874 -0.658 1.00 0.00 O ATOM 995 CB GLN A 63 -5.945 14.811 2.391 1.00 0.00 C ATOM 996 CG GLN A 63 -5.088 16.096 2.358 1.00 0.00 C ATOM 997 CD GLN A 63 -3.643 15.840 1.920 1.00 0.00 C ATOM 998 OE1 GLN A 63 -3.372 15.714 0.638 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.729 15.722 2.728 1.00 0.00 N flip ATOM 0 H GLN A 63 -7.198 12.730 2.094 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.632 15.362 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.560 14.830 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.277 13.954 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.546 16.814 1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.087 16.551 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.916 15.816 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.782 15.530 2.402 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.594 13.694 -0.784 1.00 0.00 N ATOM 1009 CA GLY A 64 -5.033 13.775 -2.140 1.00 0.00 C ATOM 1010 C GLY A 64 -6.094 13.828 -3.238 1.00 0.00 C ATOM 1011 O GLY A 64 -5.898 14.531 -4.225 1.00 0.00 O ATOM 0 H GLY A 64 -5.539 12.765 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.403 14.662 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.389 12.912 -2.310 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.257 13.195 -3.056 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.377 13.324 -3.997 1.00 0.00 C ATOM 1017 C LEU A 65 -8.916 14.765 -4.071 1.00 0.00 C ATOM 1018 O LEU A 65 -9.290 15.206 -5.159 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.474 12.297 -3.662 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.062 10.831 -3.894 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.163 9.894 -3.406 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.813 10.517 -5.371 1.00 0.00 C ATOM 0 H LEU A 65 -7.449 12.585 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.007 13.101 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.764 12.420 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.355 12.514 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.136 10.682 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.862 8.860 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.331 10.054 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.083 10.098 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.526 9.471 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.723 10.703 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.012 11.153 -5.748 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.814 15.564 -2.996 1.00 0.00 N ATOM 1035 CA ARG A 66 -9.097 17.019 -3.027 1.00 0.00 C ATOM 1036 C ARG A 66 -8.237 17.818 -4.028 1.00 0.00 C ATOM 1037 O ARG A 66 -8.612 18.939 -4.377 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.974 17.627 -1.615 1.00 0.00 C ATOM 1039 CG ARG A 66 -10.017 17.090 -0.620 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.933 17.835 0.720 1.00 0.00 C ATOM 1041 NE ARG A 66 -11.079 17.515 1.594 1.00 0.00 N ATOM 1042 CZ ARG A 66 -11.882 18.367 2.209 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -11.685 19.653 2.241 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -12.940 17.937 2.819 1.00 0.00 N ATOM 0 H ARG A 66 -8.533 15.224 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.123 17.105 -3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.976 17.424 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.075 18.710 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.017 17.201 -1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.856 16.024 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.004 17.571 1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.903 18.909 0.538 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.273 16.524 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.873 20.056 1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.343 20.258 2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.155 16.940 2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.558 18.595 3.293 1.00 0.00 H new ATOM 1058 N TYR A 67 -7.129 17.261 -4.531 1.00 0.00 N ATOM 1059 CA TYR A 67 -6.285 17.850 -5.589 1.00 0.00 C ATOM 1060 C TYR A 67 -6.733 17.464 -7.020 1.00 0.00 C ATOM 1061 O TYR A 67 -6.069 17.848 -7.983 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.802 17.487 -5.332 1.00 0.00 C ATOM 1063 CG TYR A 67 -4.146 18.189 -4.151 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.420 17.770 -2.835 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -3.234 19.244 -4.371 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.832 18.435 -1.739 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.606 19.881 -3.280 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.916 19.489 -1.960 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.318 20.123 -0.918 1.00 0.00 O ATOM 0 H TYR A 67 -6.780 16.359 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.404 18.932 -5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.732 16.411 -5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.230 17.716 -6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.084 16.935 -2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.016 19.565 -5.379 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.082 18.139 -0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.888 20.669 -3.455 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.719 20.820 -1.259 1.00 0.00 H new ATOM 1079 N THR A 68 -7.832 16.711 -7.193 1.00 0.00 N ATOM 1080 CA THR A 68 -8.200 16.059 -8.473 1.00 0.00 C ATOM 1081 C THR A 68 -9.488 16.604 -9.110 1.00 0.00 C ATOM 1082 O THR A 68 -10.563 16.012 -9.011 1.00 0.00 O ATOM 1083 CB THR A 68 -8.199 14.519 -8.361 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.204 14.001 -7.516 1.00 0.00 O ATOM 1085 CG2 THR A 68 -6.871 13.990 -7.819 1.00 0.00 C ATOM 0 H THR A 68 -8.501 16.532 -6.444 1.00 0.00 H new ATOM 0 HA THR A 68 -7.409 16.331 -9.172 1.00 0.00 H new ATOM 0 HB THR A 68 -8.380 14.189 -9.384 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.992 14.219 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.911 12.903 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.062 14.285 -8.487 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.692 14.405 -6.827 1.00 0.00 H new ATOM 1093 N SER A 69 -9.378 17.748 -9.794 1.00 0.00 N ATOM 1094 CA SER A 69 -10.432 18.325 -10.652 1.00 0.00 C ATOM 1095 C SER A 69 -9.926 18.830 -12.022 1.00 0.00 C ATOM 1096 O SER A 69 -10.680 19.475 -12.758 1.00 0.00 O ATOM 1097 CB SER A 69 -11.148 19.468 -9.916 1.00 0.00 C ATOM 1098 OG SER A 69 -11.736 19.044 -8.694 1.00 0.00 O ATOM 0 H SER A 69 -8.532 18.318 -9.769 1.00 0.00 H new ATOM 0 HA SER A 69 -11.123 17.508 -10.860 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.436 20.268 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.921 19.884 -10.562 1.00 0.00 H new ATOM 0 HG SER A 69 -12.178 19.805 -8.262 1.00 0.00 H new ATOM 1104 N THR A 70 -8.660 18.587 -12.380 1.00 0.00 N ATOM 1105 CA THR A 70 -7.992 19.122 -13.592 1.00 0.00 C ATOM 1106 C THR A 70 -7.030 18.100 -14.225 1.00 0.00 C ATOM 1107 O THR A 70 -6.617 17.124 -13.589 1.00 0.00 O ATOM 1108 CB THR A 70 -7.255 20.450 -13.310 1.00 0.00 C ATOM 1109 OG1 THR A 70 -6.333 20.301 -12.265 1.00 0.00 O ATOM 1110 CG2 THR A 70 -8.168 21.584 -12.857 1.00 0.00 C ATOM 0 H THR A 70 -8.045 17.995 -11.822 1.00 0.00 H new ATOM 0 HA THR A 70 -8.787 19.323 -14.310 1.00 0.00 H new ATOM 0 HB THR A 70 -6.791 20.697 -14.265 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.010 19.376 -12.243 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.574 22.481 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.908 21.786 -13.631 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.675 21.297 -11.936 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.672 18.298 -15.497 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.045 17.280 -16.354 1.00 0.00 C ATOM 1120 C ALA A 71 -4.586 16.882 -16.009 1.00 0.00 C ATOM 1121 O ALA A 71 -4.054 15.929 -16.588 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.187 17.751 -17.806 1.00 0.00 C ATOM 0 H ALA A 71 -6.812 19.189 -15.973 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.576 16.345 -16.175 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.732 17.018 -18.472 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.243 17.858 -18.052 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.687 18.712 -17.927 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.931 17.548 -15.050 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.594 17.170 -14.550 1.00 0.00 C ATOM 1130 C GLU A 72 -2.610 16.351 -13.238 1.00 0.00 C ATOM 1131 O GLU A 72 -1.554 16.106 -12.648 1.00 0.00 O ATOM 1132 CB GLU A 72 -1.640 18.376 -14.545 1.00 0.00 C ATOM 1133 CG GLU A 72 -1.929 19.459 -13.504 1.00 0.00 C ATOM 1134 CD GLU A 72 -0.810 20.510 -13.520 1.00 0.00 C ATOM 1135 OE1 GLU A 72 0.034 20.501 -12.590 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -0.733 21.318 -14.479 1.00 0.00 O ATOM 0 H GLU A 72 -4.315 18.374 -14.591 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.182 16.458 -15.265 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.626 18.010 -14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.663 18.835 -15.533 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.888 19.932 -13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.006 19.012 -12.513 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.795 15.899 -12.800 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.972 15.044 -11.611 1.00 0.00 C ATOM 1146 C HIS A 73 -4.956 13.864 -11.825 1.00 0.00 C ATOM 1147 O HIS A 73 -5.353 13.201 -10.866 1.00 0.00 O ATOM 1148 CB HIS A 73 -4.389 15.881 -10.386 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.872 17.299 -10.306 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -4.445 18.370 -10.921 1.00 0.00 N flip ATOM 1151 CD2 HIS A 73 -2.842 17.790 -9.536 1.00 0.00 C flip ATOM 1152 CE1 HIS A 73 -3.803 19.538 -10.492 1.00 0.00 C flip ATOM 1153 NE2 HIS A 73 -2.825 19.127 -9.668 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.674 16.120 -13.269 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.997 14.594 -11.426 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.478 15.917 -10.357 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.064 15.352 -9.490 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.166 17.203 -8.932 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.043 20.555 -10.766 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.160 19.746 -9.205 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.371 13.571 -13.064 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.369 12.520 -13.362 1.00 0.00 C ATOM 1164 C VAL A 74 -5.862 11.088 -13.139 1.00 0.00 C ATOM 1165 O VAL A 74 -6.615 10.252 -12.642 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.956 12.670 -14.780 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -7.937 13.843 -14.838 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -5.890 12.889 -15.860 1.00 0.00 C ATOM 0 H VAL A 74 -5.027 14.054 -13.894 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.163 12.679 -12.633 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.461 11.726 -14.986 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.339 13.931 -15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.753 13.670 -14.136 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.419 14.764 -14.572 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.372 12.986 -16.833 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.330 13.798 -15.640 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.209 12.038 -15.876 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.589 10.790 -13.413 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.975 9.504 -13.051 1.00 0.00 C ATOM 1180 C ALA A 75 -3.596 9.461 -11.560 1.00 0.00 C ATOM 1181 O ALA A 75 -3.690 8.409 -10.926 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.769 9.238 -13.955 1.00 0.00 C ATOM 0 H ALA A 75 -3.954 11.430 -13.891 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.704 8.709 -13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.315 8.284 -13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.094 9.204 -14.995 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.037 10.036 -13.830 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.280 10.614 -10.959 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.207 10.772 -9.501 1.00 0.00 C ATOM 1190 C ILE A 76 -4.544 10.420 -8.830 1.00 0.00 C ATOM 1191 O ILE A 76 -4.536 9.818 -7.756 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.721 12.195 -9.146 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.188 12.337 -9.253 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.227 12.702 -7.787 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.342 11.477 -8.300 1.00 0.00 C ATOM 0 H ILE A 76 -3.066 11.469 -11.473 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.476 10.066 -9.107 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.172 12.839 -9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.896 12.098 -10.276 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.932 13.383 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.844 13.707 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.317 12.724 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.879 12.035 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.716 11.671 -8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.589 11.727 -7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.552 10.422 -8.478 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.692 10.710 -9.457 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.001 10.285 -8.942 1.00 0.00 C ATOM 1209 C ARG A 77 -7.052 8.762 -8.782 1.00 0.00 C ATOM 1210 O ARG A 77 -7.374 8.294 -7.693 1.00 0.00 O ATOM 1211 CB ARG A 77 -8.133 10.862 -9.813 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.471 10.858 -9.063 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.597 11.502 -9.887 1.00 0.00 C ATOM 1214 NE ARG A 77 -11.889 11.418 -9.182 1.00 0.00 N ATOM 1215 CZ ARG A 77 -12.652 10.349 -9.030 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -12.377 9.182 -9.539 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -13.728 10.426 -8.312 1.00 0.00 N ATOM 0 H ARG A 77 -5.740 11.240 -10.327 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.152 10.692 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.883 11.881 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.225 10.277 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.744 9.832 -8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.360 11.394 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.355 12.546 -10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.674 11.004 -10.854 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.233 12.282 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.530 9.054 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.009 8.396 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.983 11.308 -7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.320 9.605 -8.191 1.00 0.00 H new ATOM 1231 N SER A 78 -6.607 8.002 -9.788 1.00 0.00 N ATOM 1232 CA SER A 78 -6.431 6.542 -9.713 1.00 0.00 C ATOM 1233 C SER A 78 -5.355 6.103 -8.707 1.00 0.00 C ATOM 1234 O SER A 78 -5.567 5.122 -7.993 1.00 0.00 O ATOM 1235 CB SER A 78 -6.095 5.984 -11.099 1.00 0.00 C ATOM 1236 OG SER A 78 -7.196 6.170 -11.966 1.00 0.00 O ATOM 0 H SER A 78 -6.353 8.389 -10.697 1.00 0.00 H new ATOM 0 HA SER A 78 -7.378 6.138 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.215 6.486 -11.500 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.852 4.924 -11.026 1.00 0.00 H new ATOM 0 HG SER A 78 -6.978 5.814 -12.853 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.241 6.840 -8.574 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.214 6.596 -7.545 1.00 0.00 C ATOM 1244 C LYS A 79 -3.828 6.646 -6.137 1.00 0.00 C ATOM 1245 O LYS A 79 -3.639 5.704 -5.372 1.00 0.00 O ATOM 1246 CB LYS A 79 -2.051 7.596 -7.714 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.817 7.309 -6.841 1.00 0.00 C ATOM 1248 CD LYS A 79 0.303 6.494 -7.510 1.00 0.00 C ATOM 1249 CE LYS A 79 1.042 7.316 -8.578 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.303 6.671 -9.017 1.00 0.00 N ATOM 0 H LYS A 79 -4.025 7.629 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.808 5.593 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.745 7.601 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.416 8.597 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.400 8.260 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.144 6.777 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.012 6.159 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.121 5.600 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.390 7.456 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.263 8.307 -8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.712 7.210 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.977 6.652 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.106 5.698 -9.327 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.613 7.677 -5.801 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.278 7.752 -4.492 1.00 0.00 C ATOM 1266 C LEU A 80 -6.506 6.823 -4.363 1.00 0.00 C ATOM 1267 O LEU A 80 -6.753 6.365 -3.247 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.552 9.207 -4.036 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.354 10.068 -3.563 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.272 9.291 -2.806 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.683 10.800 -4.718 1.00 0.00 C ATOM 0 H LEU A 80 -4.804 8.469 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.556 7.353 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.031 9.730 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.276 9.169 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.808 10.776 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.473 9.972 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.706 8.837 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.866 8.511 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.849 11.391 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.314 10.075 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.405 11.459 -5.200 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.199 6.439 -5.452 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.175 5.331 -5.393 1.00 0.00 C ATOM 1285 C GLN A 81 -7.491 4.038 -4.913 1.00 0.00 C ATOM 1286 O GLN A 81 -7.940 3.433 -3.934 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.867 5.008 -6.739 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.790 6.046 -7.399 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.808 6.688 -6.470 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.662 6.039 -5.883 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.776 7.990 -6.310 1.00 0.00 N ATOM 0 H GLN A 81 -7.105 6.871 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.939 5.678 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.083 4.769 -7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.453 4.100 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.174 6.832 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.323 5.566 -8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.070 8.546 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.457 8.446 -5.703 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.399 3.623 -5.571 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.744 2.343 -5.276 1.00 0.00 C ATOM 1302 C TYR A 82 -4.933 2.377 -3.972 1.00 0.00 C ATOM 1303 O TYR A 82 -4.885 1.371 -3.271 1.00 0.00 O ATOM 1304 CB TYR A 82 -4.970 1.794 -6.493 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.448 1.808 -6.425 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -2.769 0.900 -5.588 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.709 2.680 -7.248 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.363 0.885 -5.539 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.300 2.640 -7.233 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.626 1.745 -6.379 1.00 0.00 C ATOM 1311 OH TYR A 82 0.727 1.689 -6.399 1.00 0.00 O ATOM 0 H TYR A 82 -5.950 4.159 -6.314 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.533 1.615 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.290 0.765 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.273 2.366 -7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.333 0.209 -4.979 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.222 3.380 -7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.851 0.218 -4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.736 3.297 -7.878 1.00 0.00 H new ATOM 0 HH TYR A 82 1.030 0.912 -5.884 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.374 3.528 -3.563 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.776 3.680 -2.221 1.00 0.00 C ATOM 1323 C ARG A 83 -4.786 3.399 -1.105 1.00 0.00 C ATOM 1324 O ARG A 83 -4.414 2.771 -0.118 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.188 5.087 -2.043 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.888 5.344 -2.816 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.652 4.978 -1.981 1.00 0.00 C ATOM 1328 NE ARG A 83 0.472 4.518 -2.820 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.812 3.262 -3.044 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.142 2.257 -2.560 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.848 2.992 -3.764 1.00 0.00 N ATOM 0 H ARG A 83 -4.322 4.368 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.978 2.942 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.932 5.819 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.003 5.257 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.891 4.762 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.836 6.394 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.338 5.845 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.915 4.196 -1.269 1.00 0.00 H new ATOM 0 HE ARG A 83 1.039 5.238 -3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.682 2.424 -1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.441 1.302 -2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.405 3.749 -4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.110 2.022 -3.937 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.052 3.795 -1.267 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.115 3.486 -0.304 1.00 0.00 C ATOM 1347 C LEU A 84 -7.516 2.000 -0.341 1.00 0.00 C ATOM 1348 O LEU A 84 -7.682 1.382 0.711 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.295 4.442 -0.559 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.465 4.330 0.441 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.019 4.413 1.899 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.462 5.465 0.214 1.00 0.00 C ATOM 0 H LEU A 84 -6.370 4.339 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.752 3.647 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.921 5.466 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.678 4.259 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.912 3.352 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.888 4.328 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.324 3.601 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.526 5.369 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.283 5.376 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.961 6.423 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.854 5.407 -0.802 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.593 1.393 -1.527 1.00 0.00 N ATOM 1365 CA GLU A 85 -7.746 -0.070 -1.673 1.00 0.00 C ATOM 1366 C GLU A 85 -6.601 -0.845 -0.993 1.00 0.00 C ATOM 1367 O GLU A 85 -6.842 -1.860 -0.342 1.00 0.00 O ATOM 1368 CB GLU A 85 -7.803 -0.481 -3.157 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.066 -0.037 -3.907 1.00 0.00 C ATOM 1370 CD GLU A 85 -10.343 -0.744 -3.432 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.428 -0.117 -3.484 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -10.290 -1.927 -3.017 1.00 0.00 O ATOM 0 H GLU A 85 -7.552 1.893 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.685 -0.325 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.933 -0.067 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.724 -1.566 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.190 1.039 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.931 -0.225 -4.972 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.356 -0.370 -1.090 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.185 -1.036 -0.511 1.00 0.00 C ATOM 1382 C LEU A 86 -3.955 -0.706 0.968 1.00 0.00 C ATOM 1383 O LEU A 86 -3.353 -1.520 1.658 1.00 0.00 O ATOM 1384 CB LEU A 86 -2.943 -0.796 -1.392 1.00 0.00 C ATOM 1385 CG LEU A 86 -2.684 -1.895 -2.445 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -2.115 -3.163 -1.807 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -3.917 -2.280 -3.272 1.00 0.00 C ATOM 0 H LEU A 86 -5.130 0.497 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.389 -2.107 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.055 0.160 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.067 -0.713 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.957 -1.449 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.946 -3.914 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.171 -2.930 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.822 -3.550 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.647 -3.057 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.698 -2.652 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.283 -1.405 -3.809 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.509 0.379 1.514 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.600 0.554 2.967 1.00 0.00 C ATOM 1401 C ALA A 87 -5.608 -0.438 3.592 1.00 0.00 C ATOM 1402 O ALA A 87 -5.346 -1.003 4.657 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.973 2.009 3.279 1.00 0.00 C ATOM 0 H ALA A 87 -4.901 1.150 0.973 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.630 0.336 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.042 2.144 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.208 2.675 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.934 2.244 2.822 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.724 -0.715 2.903 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.660 -1.802 3.252 1.00 0.00 C ATOM 1411 C GLN A 88 -7.040 -3.193 3.008 1.00 0.00 C ATOM 1412 O GLN A 88 -7.335 -4.147 3.728 1.00 0.00 O ATOM 1413 CB GLN A 88 -8.962 -1.631 2.445 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.789 -0.421 2.909 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.857 -0.040 1.888 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.035 -0.351 2.018 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.480 0.663 0.845 1.00 0.00 N ATOM 0 H GLN A 88 -7.009 -0.187 2.078 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.882 -1.739 4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.718 -1.517 1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.564 -2.535 2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.263 -0.649 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.127 0.429 3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.500 0.924 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.167 0.948 0.147 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.128 -3.287 2.035 1.00 0.00 N ATOM 1427 CA GLY A 89 -5.348 -4.475 1.689 1.00 0.00 C ATOM 1428 C GLY A 89 -4.346 -4.842 2.780 1.00 0.00 C ATOM 1429 O GLY A 89 -4.366 -5.948 3.318 1.00 0.00 O ATOM 0 H GLY A 89 -5.904 -2.492 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.023 -5.314 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.817 -4.299 0.754 1.00 0.00 H new ATOM 1433 N ALA A 90 -3.490 -3.887 3.147 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.387 -4.064 4.084 1.00 0.00 C ATOM 1435 C ALA A 90 -2.842 -4.280 5.540 1.00 0.00 C ATOM 1436 O ALA A 90 -2.144 -4.975 6.287 1.00 0.00 O ATOM 1437 CB ALA A 90 -1.467 -2.849 3.945 1.00 0.00 C ATOM 0 H ALA A 90 -3.551 -2.935 2.785 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.854 -4.981 3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.628 -2.947 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.093 -2.791 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.024 -1.942 4.180 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.013 -3.758 5.942 1.00 0.00 N ATOM 1444 CA VAL A 91 -4.594 -4.051 7.274 1.00 0.00 C ATOM 1445 C VAL A 91 -5.202 -5.469 7.358 1.00 0.00 C ATOM 1446 O VAL A 91 -5.242 -6.074 8.434 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.571 -2.940 7.709 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -6.925 -3.000 6.999 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.813 -2.961 9.219 1.00 0.00 C ATOM 0 H VAL A 91 -4.579 -3.132 5.369 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.778 -4.051 7.996 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.079 -2.011 7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.559 -2.188 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.777 -2.899 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.405 -3.955 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.506 -2.164 9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.237 -3.923 9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.868 -2.811 9.741 1.00 0.00 H new ATOM 1459 N GLY A 92 -5.599 -6.043 6.215 1.00 0.00 N ATOM 1460 CA GLY A 92 -6.009 -7.444 6.078 1.00 0.00 C ATOM 1461 C GLY A 92 -7.385 -7.799 6.654 1.00 0.00 C ATOM 1462 O GLY A 92 -8.197 -6.925 6.985 1.00 0.00 O ATOM 0 H GLY A 92 -5.645 -5.529 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.002 -7.702 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.261 -8.070 6.564 1.00 0.00 H new ATOM 1466 N SER A 93 -7.652 -9.105 6.743 1.00 0.00 N ATOM 1467 CA SER A 93 -8.935 -9.689 7.153 1.00 0.00 C ATOM 1468 C SER A 93 -8.782 -11.034 7.881 1.00 0.00 C ATOM 1469 O SER A 93 -7.711 -11.645 7.888 1.00 0.00 O ATOM 1470 CB SER A 93 -9.787 -9.909 5.895 1.00 0.00 C ATOM 1471 OG SER A 93 -11.130 -10.180 6.244 1.00 0.00 O ATOM 0 H SER A 93 -6.953 -9.814 6.523 1.00 0.00 H new ATOM 0 HA SER A 93 -9.403 -8.995 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.742 -9.024 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.382 -10.738 5.315 1.00 0.00 H new ATOM 0 HG SER A 93 -11.659 -10.316 5.430 1.00 0.00 H new ATOM 1477 N VAL A 94 -9.897 -11.550 8.409 1.00 0.00 N ATOM 1478 CA VAL A 94 -10.057 -12.961 8.800 1.00 0.00 C ATOM 1479 C VAL A 94 -10.055 -13.888 7.569 1.00 0.00 C ATOM 1480 O VAL A 94 -9.658 -15.054 7.665 1.00 0.00 O ATOM 1481 CB VAL A 94 -11.354 -13.151 9.625 1.00 0.00 C ATOM 1482 CG1 VAL A 94 -11.465 -14.568 10.203 1.00 0.00 C ATOM 1483 CG2 VAL A 94 -11.453 -12.177 10.806 1.00 0.00 C ATOM 0 H VAL A 94 -10.732 -10.990 8.581 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.205 -13.235 9.423 1.00 0.00 H new ATOM 0 HB VAL A 94 -12.161 -12.960 8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.389 -14.657 10.774 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.470 -15.293 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.615 -14.762 10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.382 -12.356 11.348 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.607 -12.330 11.476 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.441 -11.152 10.435 1.00 0.00 H new ATOM 1493 N GLN A 95 -10.442 -13.377 6.394 1.00 0.00 N ATOM 1494 CA GLN A 95 -10.306 -14.069 5.103 1.00 0.00 C ATOM 1495 C GLN A 95 -8.875 -13.997 4.530 1.00 0.00 C ATOM 1496 O GLN A 95 -8.010 -13.294 5.056 1.00 0.00 O ATOM 1497 CB GLN A 95 -11.352 -13.525 4.102 1.00 0.00 C ATOM 1498 CG GLN A 95 -12.519 -14.496 3.854 1.00 0.00 C ATOM 1499 CD GLN A 95 -12.139 -15.784 3.114 1.00 0.00 C ATOM 1500 OE1 GLN A 95 -11.005 -16.252 3.115 1.00 0.00 O ATOM 1501 NE2 GLN A 95 -13.075 -16.427 2.465 1.00 0.00 N ATOM 0 H GLN A 95 -10.867 -12.453 6.310 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.499 -15.128 5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.747 -12.581 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.860 -13.310 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.961 -14.762 4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.288 -13.978 3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.027 -16.061 2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.853 -17.295 1.977 1.00 0.00 H new ATOM 1510 N ILE A 96 -8.634 -14.734 3.438 1.00 0.00 N ATOM 1511 CA ILE A 96 -7.348 -14.897 2.732 1.00 0.00 C ATOM 1512 C ILE A 96 -6.247 -15.366 3.705 1.00 0.00 C ATOM 1513 O ILE A 96 -5.398 -14.579 4.130 1.00 0.00 O ATOM 1514 CB ILE A 96 -6.964 -13.652 1.888 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -8.128 -13.233 0.963 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -5.723 -13.952 1.021 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -7.868 -11.978 0.117 1.00 0.00 C ATOM 0 H ILE A 96 -9.379 -15.269 2.992 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.465 -15.691 1.994 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.743 -12.839 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.357 -14.062 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.014 -13.063 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.466 -13.069 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.884 -14.216 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.940 -14.783 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.743 -11.766 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.672 -11.131 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.004 -12.145 -0.526 1.00 0.00 H new ATOM 1529 N PRO A 97 -6.233 -16.661 4.078 1.00 0.00 N ATOM 1530 CA PRO A 97 -5.284 -17.179 5.064 1.00 0.00 C ATOM 1531 C PRO A 97 -3.912 -17.499 4.450 1.00 0.00 C ATOM 1532 O PRO A 97 -2.945 -17.682 5.188 1.00 0.00 O ATOM 1533 CB PRO A 97 -5.978 -18.418 5.628 1.00 0.00 C ATOM 1534 CG PRO A 97 -6.740 -18.974 4.428 1.00 0.00 C ATOM 1535 CD PRO A 97 -7.085 -17.742 3.588 1.00 0.00 C ATOM 0 HA PRO A 97 -5.053 -16.448 5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.259 -19.139 6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.650 -18.164 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.131 -19.681 3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.639 -19.506 4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.905 -17.930 2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.139 -17.484 3.691 1.00 0.00 H new ATOM 1543 N VAL A 98 -3.827 -17.543 3.110 1.00 0.00 N ATOM 1544 CA VAL A 98 -2.666 -18.012 2.319 1.00 0.00 C ATOM 1545 C VAL A 98 -2.248 -19.441 2.710 1.00 0.00 C ATOM 1546 O VAL A 98 -1.114 -19.714 3.112 1.00 0.00 O ATOM 1547 CB VAL A 98 -1.511 -16.985 2.288 1.00 0.00 C ATOM 1548 CG1 VAL A 98 -0.521 -17.300 1.158 1.00 0.00 C ATOM 1549 CG2 VAL A 98 -2.029 -15.561 2.027 1.00 0.00 C ATOM 0 H VAL A 98 -4.599 -17.239 2.517 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.984 -18.083 1.279 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.028 -17.047 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.281 -16.561 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.099 -18.294 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.040 -17.269 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.190 -14.866 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.542 -15.531 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.723 -15.275 2.818 1.00 0.00 H new ATOM 1559 N VAL A 99 -3.215 -20.360 2.614 1.00 0.00 N ATOM 1560 CA VAL A 99 -3.072 -21.793 2.913 1.00 0.00 C ATOM 1561 C VAL A 99 -3.655 -22.606 1.756 1.00 0.00 C ATOM 1562 O VAL A 99 -4.811 -22.402 1.378 1.00 0.00 O ATOM 1563 CB VAL A 99 -3.764 -22.162 4.241 1.00 0.00 C ATOM 1564 CG1 VAL A 99 -3.659 -23.661 4.540 1.00 0.00 C ATOM 1565 CG2 VAL A 99 -3.140 -21.410 5.424 1.00 0.00 C ATOM 0 H VAL A 99 -4.159 -20.118 2.313 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.013 -22.025 3.026 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.810 -21.880 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.159 -23.880 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.134 -24.226 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.609 -23.945 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.650 -21.693 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.083 -21.666 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.242 -20.336 5.267 1.00 0.00 H new ATOM 1575 N GLU A 100 -2.849 -23.517 1.209 1.00 0.00 N ATOM 1576 CA GLU A 100 -3.171 -24.396 0.073 1.00 0.00 C ATOM 1577 C GLU A 100 -3.944 -23.681 -1.061 1.00 0.00 C ATOM 1578 O GLU A 100 -3.430 -22.703 -1.618 1.00 0.00 O ATOM 1579 CB GLU A 100 -3.816 -25.706 0.560 1.00 0.00 C ATOM 1580 CG GLU A 100 -2.904 -26.496 1.505 1.00 0.00 C ATOM 1581 CD GLU A 100 -3.462 -27.900 1.718 1.00 0.00 C ATOM 1582 OE1 GLU A 100 -4.375 -28.081 2.560 1.00 0.00 O ATOM 1583 OE2 GLU A 100 -3.017 -28.845 1.021 1.00 0.00 O ATOM 0 H GLU A 100 -1.905 -23.673 1.561 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.232 -24.675 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.752 -25.478 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.065 -26.326 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.899 -26.555 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.823 -25.979 2.461 1.00 0.00 H new ATOM 1591 N VAL A 101 -5.138 -24.175 -1.426 1.00 0.00 N ATOM 1592 CA VAL A 101 -6.021 -23.606 -2.468 1.00 0.00 C ATOM 1593 C VAL A 101 -7.515 -23.621 -2.101 1.00 0.00 C ATOM 1594 O VAL A 101 -8.252 -22.746 -2.551 1.00 0.00 O ATOM 1595 CB VAL A 101 -5.812 -24.304 -3.831 1.00 0.00 C ATOM 1596 CG1 VAL A 101 -4.449 -23.959 -4.443 1.00 0.00 C ATOM 1597 CG2 VAL A 101 -5.943 -25.831 -3.769 1.00 0.00 C ATOM 0 H VAL A 101 -5.532 -25.009 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.725 -22.560 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.615 -23.921 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.340 -24.469 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.381 -22.882 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.655 -24.281 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.784 -26.250 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.198 -26.232 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.940 -26.097 -3.419 1.00 0.00 H new ATOM 1607 N ASP A 102 -7.987 -24.556 -1.266 1.00 0.00 N ATOM 1608 CA ASP A 102 -9.404 -24.635 -0.847 1.00 0.00 C ATOM 1609 C ASP A 102 -9.804 -23.606 0.225 1.00 0.00 C ATOM 1610 O ASP A 102 -10.991 -23.341 0.423 1.00 0.00 O ATOM 1611 CB ASP A 102 -9.721 -26.040 -0.316 1.00 0.00 C ATOM 1612 CG ASP A 102 -9.976 -27.031 -1.442 1.00 0.00 C ATOM 1613 OD1 ASP A 102 -11.165 -27.250 -1.776 1.00 0.00 O ATOM 1614 OD2 ASP A 102 -8.996 -27.605 -1.977 1.00 0.00 O ATOM 0 H ASP A 102 -7.400 -25.284 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.983 -24.407 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.890 -26.392 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.597 -25.994 0.331 1.00 0.00 H new ATOM 1620 N GLU A 103 -8.842 -23.021 0.938 1.00 0.00 N ATOM 1621 CA GLU A 103 -9.103 -22.090 2.048 1.00 0.00 C ATOM 1622 C GLU A 103 -9.138 -20.614 1.607 1.00 0.00 C ATOM 1623 O GLU A 103 -9.181 -19.711 2.442 1.00 0.00 O ATOM 1624 CB GLU A 103 -8.096 -22.369 3.179 1.00 0.00 C ATOM 1625 CG GLU A 103 -8.715 -22.255 4.578 1.00 0.00 C ATOM 1626 CD GLU A 103 -9.752 -23.355 4.849 1.00 0.00 C ATOM 1627 OE1 GLU A 103 -9.352 -24.530 5.041 1.00 0.00 O ATOM 1628 OE2 GLU A 103 -10.979 -23.076 4.822 1.00 0.00 O ATOM 0 H GLU A 103 -7.849 -23.178 0.764 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.109 -22.269 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.683 -23.370 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.265 -21.669 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.926 -22.311 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.188 -21.279 4.685 1.00 0.00 H new ATOM 1636 N LEU A 104 -9.112 -20.358 0.296 1.00 0.00 N ATOM 1637 CA LEU A 104 -9.009 -19.036 -0.328 1.00 0.00 C ATOM 1638 C LEU A 104 -10.270 -18.695 -1.160 1.00 0.00 C ATOM 1639 O LEU A 104 -10.895 -19.619 -1.698 1.00 0.00 O ATOM 1640 CB LEU A 104 -7.739 -19.045 -1.198 1.00 0.00 C ATOM 1641 CG LEU A 104 -6.432 -18.954 -0.386 1.00 0.00 C ATOM 1642 CD1 LEU A 104 -5.261 -19.564 -1.151 1.00 0.00 C ATOM 1643 CD2 LEU A 104 -6.096 -17.495 -0.091 1.00 0.00 C ATOM 0 H LEU A 104 -9.165 -21.107 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.942 -18.260 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.724 -19.958 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.782 -18.209 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.587 -19.506 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.354 -19.484 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.469 -20.614 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.123 -19.030 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.171 -17.444 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.972 -16.953 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.905 -17.044 0.484 1.00 0.00 H new ATOM 1655 N PRO A 105 -10.643 -17.405 -1.290 1.00 0.00 N ATOM 1656 CA PRO A 105 -11.814 -16.961 -2.058 1.00 0.00 C ATOM 1657 C PRO A 105 -11.544 -16.819 -3.569 1.00 0.00 C ATOM 1658 O PRO A 105 -10.393 -16.699 -4.007 1.00 0.00 O ATOM 1659 CB PRO A 105 -12.200 -15.619 -1.429 1.00 0.00 C ATOM 1660 CG PRO A 105 -10.847 -15.039 -1.015 1.00 0.00 C ATOM 1661 CD PRO A 105 -10.070 -16.277 -0.562 1.00 0.00 C ATOM 0 HA PRO A 105 -12.613 -17.700 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -12.717 -14.973 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -12.863 -15.749 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.353 -14.533 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.949 -14.309 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.007 -16.172 -0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.161 -16.422 0.515 1.00 0.00 H new ATOM 1669 N GLU A 106 -12.613 -16.769 -4.377 1.00 0.00 N ATOM 1670 CA GLU A 106 -12.495 -16.563 -5.828 1.00 0.00 C ATOM 1671 C GLU A 106 -12.016 -15.142 -6.173 1.00 0.00 C ATOM 1672 O GLU A 106 -12.328 -14.158 -5.493 1.00 0.00 O ATOM 1673 CB GLU A 106 -13.769 -16.970 -6.594 1.00 0.00 C ATOM 1674 CG GLU A 106 -14.877 -15.903 -6.665 1.00 0.00 C ATOM 1675 CD GLU A 106 -16.151 -16.421 -7.352 1.00 0.00 C ATOM 1676 OE1 GLU A 106 -16.067 -17.160 -8.364 1.00 0.00 O ATOM 1677 OE2 GLU A 106 -17.272 -16.081 -6.899 1.00 0.00 O ATOM 0 H GLU A 106 -13.573 -16.869 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 106 -11.716 -17.242 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -13.487 -17.243 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -14.181 -17.864 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.122 -15.571 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -14.505 -15.033 -7.206 1.00 0.00 H new ATOM 1685 N GLY A 107 -11.229 -15.039 -7.239 1.00 0.00 N ATOM 1686 CA GLY A 107 -10.300 -13.938 -7.498 1.00 0.00 C ATOM 1687 C GLY A 107 -8.869 -14.319 -7.094 1.00 0.00 C ATOM 1688 O GLY A 107 -7.928 -14.039 -7.842 1.00 0.00 O ATOM 0 H GLY A 107 -11.218 -15.745 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.326 -13.677 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.615 -13.054 -6.944 1.00 0.00 H new ATOM 1692 N TYR A 108 -8.692 -15.052 -5.985 1.00 0.00 N ATOM 1693 CA TYR A 108 -7.392 -15.596 -5.579 1.00 0.00 C ATOM 1694 C TYR A 108 -7.186 -17.023 -6.109 1.00 0.00 C ATOM 1695 O TYR A 108 -6.261 -17.270 -6.888 1.00 0.00 O ATOM 1696 CB TYR A 108 -7.211 -15.484 -4.056 1.00 0.00 C ATOM 1697 CG TYR A 108 -5.763 -15.259 -3.653 1.00 0.00 C ATOM 1698 CD1 TYR A 108 -4.864 -16.339 -3.557 1.00 0.00 C ATOM 1699 CD2 TYR A 108 -5.307 -13.949 -3.420 1.00 0.00 C ATOM 1700 CE1 TYR A 108 -3.517 -16.110 -3.209 1.00 0.00 C ATOM 1701 CE2 TYR A 108 -3.962 -13.714 -3.082 1.00 0.00 C ATOM 1702 CZ TYR A 108 -3.058 -14.793 -2.974 1.00 0.00 C ATOM 1703 OH TYR A 108 -1.746 -14.564 -2.705 1.00 0.00 O ATOM 0 H TYR A 108 -9.450 -15.284 -5.344 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.606 -14.995 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.820 -14.662 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.578 -16.394 -3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.207 -17.345 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -5.993 -13.119 -3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.834 -16.942 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.620 -12.705 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 108 -1.602 -13.604 -2.570 1.00 0.00 H new ATOM 1713 N ASP A 109 -8.070 -17.961 -5.762 1.00 0.00 N ATOM 1714 CA ASP A 109 -8.057 -19.339 -6.278 1.00 0.00 C ATOM 1715 C ASP A 109 -9.475 -19.940 -6.275 1.00 0.00 C ATOM 1716 O ASP A 109 -10.272 -19.623 -5.389 1.00 0.00 O ATOM 1717 CB ASP A 109 -7.079 -20.194 -5.445 1.00 0.00 C ATOM 1718 CG ASP A 109 -6.507 -21.343 -6.275 1.00 0.00 C ATOM 1719 OD1 ASP A 109 -7.240 -22.330 -6.521 1.00 0.00 O ATOM 1720 OD2 ASP A 109 -5.359 -21.204 -6.767 1.00 0.00 O ATOM 0 H ASP A 109 -8.829 -17.785 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.714 -19.330 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.266 -19.568 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.594 -20.594 -4.571 1.00 0.00 H new ATOM 1726 N ARG A 110 -9.797 -20.817 -7.235 1.00 0.00 N ATOM 1727 CA ARG A 110 -11.078 -21.543 -7.288 1.00 0.00 C ATOM 1728 C ARG A 110 -10.886 -22.986 -7.782 1.00 0.00 C ATOM 1729 O ARG A 110 -10.011 -23.266 -8.609 1.00 0.00 O ATOM 1730 CB ARG A 110 -12.098 -20.720 -8.101 1.00 0.00 C ATOM 1731 CG ARG A 110 -13.556 -21.124 -7.825 1.00 0.00 C ATOM 1732 CD ARG A 110 -14.584 -20.233 -8.540 1.00 0.00 C ATOM 1733 NE ARG A 110 -14.654 -20.485 -9.992 1.00 0.00 N ATOM 1734 CZ ARG A 110 -14.869 -19.607 -10.958 1.00 0.00 C ATOM 1735 NH1 ARG A 110 -15.061 -18.338 -10.743 1.00 0.00 N ATOM 1736 NH2 ARG A 110 -14.902 -20.004 -12.197 1.00 0.00 N ATOM 0 H ARG A 110 -9.170 -21.047 -8.006 1.00 0.00 H new ATOM 0 HA ARG A 110 -11.489 -21.651 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.970 -19.663 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -11.889 -20.841 -9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -13.704 -22.158 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -13.738 -21.086 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.568 -20.398 -8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -14.330 -19.187 -8.370 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.521 -21.452 -10.286 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -15.050 -17.975 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -15.222 -17.706 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -14.762 -20.989 -12.421 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -15.068 -19.330 -12.944 1.00 0.00 H new ATOM 1750 N SER A 111 -11.661 -23.921 -7.232 1.00 0.00 N ATOM 1751 CA SER A 111 -11.484 -25.377 -7.410 1.00 0.00 C ATOM 1752 C SER A 111 -12.167 -25.942 -8.652 1.00 0.00 C ATOM 1753 O SER A 111 -13.322 -25.564 -8.954 1.00 0.00 O ATOM 1754 CB SER A 111 -11.949 -26.091 -6.147 1.00 0.00 C ATOM 1755 OG SER A 111 -11.112 -25.694 -5.070 1.00 0.00 O ATOM 1756 OXT SER A 111 -11.553 -26.804 -9.319 1.00 0.00 O ATOM 0 H SER A 111 -12.453 -23.688 -6.633 1.00 0.00 H new ATOM 0 HA SER A 111 -10.421 -25.555 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.988 -25.841 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.903 -27.171 -6.284 1.00 0.00 H new ATOM 0 HG SER A 111 -11.400 -26.144 -4.249 1.00 0.00 H new TER 1762 SER A 111 ATOM 1763 N MET B -4 0.852 4.172 -13.843 1.00 0.00 N ATOM 1764 CA MET B -4 0.596 4.785 -12.520 1.00 0.00 C ATOM 1765 C MET B -4 0.967 3.887 -11.333 1.00 0.00 C ATOM 1766 O MET B -4 1.167 4.421 -10.240 1.00 0.00 O ATOM 1767 CB MET B -4 -0.820 5.378 -12.405 1.00 0.00 C ATOM 1768 CG MET B -4 -1.974 4.366 -12.346 1.00 0.00 C ATOM 1769 SD MET B -4 -2.252 3.593 -10.729 1.00 0.00 S ATOM 1770 CE MET B -4 -3.615 2.480 -11.161 1.00 0.00 C ATOM 0 H1 MET B -4 0.577 4.838 -14.593 1.00 0.00 H new ATOM 0 H2 MET B -4 1.864 3.949 -13.932 1.00 0.00 H new ATOM 0 H3 MET B -4 0.295 3.298 -13.934 1.00 0.00 H new ATOM 0 HA MET B -4 1.287 5.626 -12.458 1.00 0.00 H new ATOM 0 HB2 MET B -4 -0.861 5.997 -11.509 1.00 0.00 H new ATOM 0 HB3 MET B -4 -0.986 6.038 -13.257 1.00 0.00 H new ATOM 0 HG2 MET B -4 -2.891 4.869 -12.651 1.00 0.00 H new ATOM 0 HG3 MET B -4 -1.783 3.580 -13.077 1.00 0.00 H new ATOM 0 HE1 MET B -4 -3.919 1.918 -10.278 1.00 0.00 H new ATOM 0 HE2 MET B -4 -4.459 3.064 -11.528 1.00 0.00 H new ATOM 0 HE3 MET B -4 -3.288 1.788 -11.937 1.00 0.00 H new ATOM 1781 N GLU B -3 1.038 2.557 -11.485 1.00 0.00 N ATOM 1782 CA GLU B -3 1.320 1.612 -10.386 1.00 0.00 C ATOM 1783 C GLU B -3 2.724 1.764 -9.759 1.00 0.00 C ATOM 1784 O GLU B -3 3.692 2.099 -10.442 1.00 0.00 O ATOM 1785 CB GLU B -3 1.055 0.161 -10.850 1.00 0.00 C ATOM 1786 CG GLU B -3 2.076 -0.388 -11.863 1.00 0.00 C ATOM 1787 CD GLU B -3 1.792 -1.840 -12.275 1.00 0.00 C ATOM 1788 OE1 GLU B -3 1.844 -2.747 -11.409 1.00 0.00 O ATOM 1789 OE2 GLU B -3 1.565 -2.116 -13.478 1.00 0.00 O ATOM 0 H GLU B -3 0.900 2.098 -12.385 1.00 0.00 H new ATOM 0 HA GLU B -3 0.631 1.864 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU B -3 1.046 -0.490 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU B -3 0.061 0.112 -11.294 1.00 0.00 H new ATOM 0 HG2 GLU B -3 2.073 0.243 -12.752 1.00 0.00 H new ATOM 0 HG3 GLU B -3 3.075 -0.327 -11.432 1.00 0.00 H new ATOM 1797 N GLU B -2 2.841 1.474 -8.460 1.00 0.00 N ATOM 1798 CA GLU B -2 4.077 1.567 -7.661 1.00 0.00 C ATOM 1799 C GLU B -2 4.382 0.241 -6.929 1.00 0.00 C ATOM 1800 O GLU B -2 3.518 -0.627 -6.803 1.00 0.00 O ATOM 1801 CB GLU B -2 3.983 2.728 -6.648 1.00 0.00 C ATOM 1802 CG GLU B -2 3.607 4.076 -7.281 1.00 0.00 C ATOM 1803 CD GLU B -2 3.514 5.242 -6.286 1.00 0.00 C ATOM 1804 OE1 GLU B -2 2.948 5.079 -5.181 1.00 0.00 O ATOM 1805 OE2 GLU B -2 3.917 6.365 -6.690 1.00 0.00 O ATOM 0 H GLU B -2 2.045 1.154 -7.908 1.00 0.00 H new ATOM 0 HA GLU B -2 4.898 1.765 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU B -2 3.243 2.475 -5.888 1.00 0.00 H new ATOM 0 HB3 GLU B -2 4.941 2.831 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU B -2 4.345 4.324 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU B -2 2.648 3.970 -7.788 1.00 0.00 H new ATOM 1813 N VAL B -1 5.612 0.086 -6.428 1.00 0.00 N ATOM 1814 CA VAL B -1 6.200 -1.187 -5.946 1.00 0.00 C ATOM 1815 C VAL B -1 5.493 -1.904 -4.767 1.00 0.00 C ATOM 1816 O VAL B -1 5.786 -3.077 -4.530 1.00 0.00 O ATOM 1817 CB VAL B -1 7.700 -0.939 -5.660 1.00 0.00 C ATOM 1818 CG1 VAL B -1 7.918 -0.061 -4.420 1.00 0.00 C ATOM 1819 CG2 VAL B -1 8.534 -2.216 -5.534 1.00 0.00 C ATOM 0 H VAL B -1 6.258 0.870 -6.340 1.00 0.00 H new ATOM 0 HA VAL B -1 6.048 -1.908 -6.749 1.00 0.00 H new ATOM 0 HB VAL B -1 8.054 -0.409 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL B -1 8.986 0.085 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL B -1 7.438 0.906 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL B -1 7.484 -0.549 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL B -1 9.573 -1.954 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL B -1 8.149 -2.823 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL B -1 8.475 -2.782 -6.464 1.00 0.00 H new ATOM 1829 N ASP B 0 4.574 -1.243 -4.050 1.00 0.00 N ATOM 1830 CA ASP B 0 3.635 -1.775 -3.026 1.00 0.00 C ATOM 1831 C ASP B 0 4.062 -3.005 -2.197 1.00 0.00 C ATOM 1832 O ASP B 0 3.735 -4.158 -2.567 1.00 0.00 O ATOM 1833 CB ASP B 0 2.237 -1.931 -3.661 1.00 0.00 C ATOM 1834 CG ASP B 0 1.457 -0.614 -3.634 1.00 0.00 C ATOM 1835 OD1 ASP B 0 0.577 -0.455 -2.757 1.00 0.00 O ATOM 1836 OD2 ASP B 0 1.740 0.317 -4.423 1.00 0.00 O ATOM 1837 OXT ASP B 0 4.627 -2.817 -1.092 1.00 0.00 O ATOM 0 H ASP B 0 4.450 -0.238 -4.174 1.00 0.00 H new ATOM 0 HA ASP B 0 3.632 -1.020 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP B 0 2.340 -2.273 -4.691 1.00 0.00 H new ATOM 0 HB3 ASP B 0 1.677 -2.698 -3.126 1.00 0.00 H new TER 1843 ASP B 0