USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 894 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 34 ASN : amide:sc= -0.356 K(o=0.57,f=-1.6!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 173:sc= 0.926 (180deg=0.792) USER MOD Set 2.1: A 16 THR OG1 : rot -160:sc= 1.03 USER MOD Set 2.2: A 18 THR OG1 : rot -39:sc= 1.26 USER MOD Set 3.1: A 4 HIS : no HE2:sc= -1.08 K(o=-2.5,f=-6.9!) USER MOD Set 3.2: A 6 HIS : no HE2:sc= -1.39 K(o=-2.5,f=-7.6!) USER MOD Set 4.1: A 2 HIS : no HD1:sc= -1.17 X(o=-1.3,f=-1.1) USER MOD Set 4.2: A 5 HIS : no HD1:sc= -0.171 X(o=-1.3,f=-1.1) 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 3 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.7!) USER MOD Single : A 7 HIS : no HD1:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : A 11 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.51) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -1.02 (180deg=-1.76) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.135) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -87:sc= 1.49 USER MOD Single : A 28 SER OG : rot -23:sc= 0.119 USER MOD Single : A 29 SER OG : rot -47:sc= 0.08 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0.0793 (180deg=0.0776) USER MOD Single : A 37 SER OG : rot -72:sc= 0.774 USER MOD Single : A 40 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.4!) USER MOD Single : A 42 LYS NZ :NH3+ -107:sc= 0.606 (180deg=-0.105) USER MOD Single : A 49 GLN : amide:sc= -0.215 K(o=-0.21,f=-3.2!) USER MOD Single : A 50 GLN : amide:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.58) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 66 SER OG : rot -21:sc= 0.461 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -102:sc= -0.395 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -107:sc= 0 (180deg=-0.178) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= -2.87 (180deg=-4.16!) USER MOD Single : A 104 SER OG : rot 171:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0453) USER MOD Single : A 108 SER OG : rot -26:sc= 0.222 USER MOD Single : A 110 ASN : amide:sc= 0.739 K(o=0.74,f=-0.027) USER MOD Single : A 111 SER OG : rot 78:sc= 0.559 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 108.466 6.469 -3.253 1.00 0.00 N ATOM 2 CA MET A 1 109.693 7.181 -2.798 1.00 0.00 C ATOM 3 C MET A 1 110.797 6.161 -2.532 1.00 0.00 C ATOM 4 O MET A 1 110.807 5.497 -1.495 1.00 0.00 O ATOM 5 CB MET A 1 109.378 7.969 -1.519 1.00 0.00 C ATOM 6 CG MET A 1 109.538 9.468 -1.784 1.00 0.00 C ATOM 7 SD MET A 1 109.101 10.394 -0.291 1.00 0.00 S ATOM 8 CE MET A 1 109.872 11.963 -0.759 1.00 0.00 C ATOM 0 H1 MET A 1 107.711 7.160 -3.435 1.00 0.00 H new ATOM 0 H2 MET A 1 108.673 5.944 -4.126 1.00 0.00 H new ATOM 0 H3 MET A 1 108.156 5.805 -2.515 1.00 0.00 H new ATOM 0 HA MET A 1 110.028 7.875 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 1 108.361 7.755 -1.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 110.046 7.659 -0.715 1.00 0.00 H new ATOM 0 HG2 MET A 1 110.565 9.689 -2.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 108.899 9.772 -2.613 1.00 0.00 H new ATOM 0 HE1 MET A 1 109.721 12.694 0.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 110.940 11.811 -0.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 109.420 12.330 -1.681 1.00 0.00 H new ATOM 20 N HIS A 2 111.725 6.042 -3.481 1.00 0.00 N ATOM 21 CA HIS A 2 112.835 5.100 -3.346 1.00 0.00 C ATOM 22 C HIS A 2 113.842 5.286 -4.479 1.00 0.00 C ATOM 23 O HIS A 2 113.694 6.177 -5.316 1.00 0.00 O ATOM 24 CB HIS A 2 112.312 3.656 -3.353 1.00 0.00 C ATOM 25 CG HIS A 2 111.385 3.443 -4.523 1.00 0.00 C ATOM 26 ND1 HIS A 2 110.598 2.308 -4.638 1.00 0.00 N ATOM 27 CD2 HIS A 2 111.108 4.203 -5.634 1.00 0.00 C ATOM 28 CE1 HIS A 2 109.892 2.416 -5.778 1.00 0.00 C ATOM 29 NE2 HIS A 2 110.166 3.552 -6.424 1.00 0.00 N ATOM 0 H HIS A 2 111.731 6.582 -4.346 1.00 0.00 H new ATOM 0 HA HIS A 2 113.333 5.297 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 2 113.148 2.959 -3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 2 111.787 3.447 -2.421 1.00 0.00 H new ATOM 0 HD2 HIS A 2 111.554 5.160 -5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 2 109.189 1.674 -6.128 1.00 0.00 H new ATOM 0 HE2 HIS A 2 109.770 3.873 -7.307 1.00 0.00 H new ATOM 37 N HIS A 3 114.864 4.435 -4.496 1.00 0.00 N ATOM 38 CA HIS A 3 115.897 4.500 -5.528 1.00 0.00 C ATOM 39 C HIS A 3 116.571 3.140 -5.684 1.00 0.00 C ATOM 40 O HIS A 3 116.732 2.640 -6.798 1.00 0.00 O ATOM 41 CB HIS A 3 116.945 5.560 -5.164 1.00 0.00 C ATOM 42 CG HIS A 3 117.367 5.389 -3.730 1.00 0.00 C ATOM 43 ND1 HIS A 3 118.453 4.607 -3.367 1.00 0.00 N ATOM 44 CD2 HIS A 3 116.858 5.889 -2.558 1.00 0.00 C ATOM 45 CE1 HIS A 3 118.559 4.659 -2.026 1.00 0.00 C ATOM 46 NE2 HIS A 3 117.611 5.427 -1.483 1.00 0.00 N ATOM 0 H HIS A 3 115.000 3.693 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 3 115.428 4.775 -6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 3 117.810 5.469 -5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 3 116.534 6.558 -5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 3 116.002 6.543 -2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 3 119.319 4.142 -1.458 1.00 0.00 H new ATOM 0 HE2 HIS A 3 117.469 5.631 -0.494 1.00 0.00 H new ATOM 54 N HIS A 4 116.952 2.546 -4.556 1.00 0.00 N ATOM 55 CA HIS A 4 117.598 1.239 -4.566 1.00 0.00 C ATOM 56 C HIS A 4 116.547 0.138 -4.482 1.00 0.00 C ATOM 57 O HIS A 4 116.629 -0.869 -5.186 1.00 0.00 O ATOM 58 CB HIS A 4 118.562 1.123 -3.379 1.00 0.00 C ATOM 59 CG HIS A 4 119.706 0.210 -3.733 1.00 0.00 C ATOM 60 ND1 HIS A 4 119.612 -0.743 -4.737 1.00 0.00 N ATOM 61 CD2 HIS A 4 120.976 0.094 -3.224 1.00 0.00 C ATOM 62 CE1 HIS A 4 120.795 -1.384 -4.799 1.00 0.00 C ATOM 63 NE2 HIS A 4 121.661 -0.913 -3.898 1.00 0.00 N ATOM 0 H HIS A 4 116.825 2.948 -3.627 1.00 0.00 H new ATOM 0 HA HIS A 4 118.158 1.129 -5.495 1.00 0.00 H new ATOM 0 HB2 HIS A 4 118.942 2.109 -3.111 1.00 0.00 H new ATOM 0 HB3 HIS A 4 118.034 0.737 -2.507 1.00 0.00 H new ATOM 0 HD1 HIS A 4 118.796 -0.925 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 4 121.382 0.693 -2.422 1.00 0.00 H new ATOM 0 HE1 HIS A 4 121.016 -2.182 -5.493 1.00 0.00 H new ATOM 71 N HIS A 5 115.558 0.349 -3.614 1.00 0.00 N ATOM 72 CA HIS A 5 114.477 -0.616 -3.430 1.00 0.00 C ATOM 73 C HIS A 5 115.032 -1.985 -3.037 1.00 0.00 C ATOM 74 O HIS A 5 115.053 -2.917 -3.842 1.00 0.00 O ATOM 75 CB HIS A 5 113.648 -0.731 -4.716 1.00 0.00 C ATOM 76 CG HIS A 5 112.226 -1.087 -4.372 1.00 0.00 C ATOM 77 ND1 HIS A 5 111.895 -1.804 -3.232 1.00 0.00 N ATOM 78 CD2 HIS A 5 111.037 -0.826 -5.007 1.00 0.00 C ATOM 79 CE1 HIS A 5 110.557 -1.947 -3.216 1.00 0.00 C ATOM 80 NE2 HIS A 5 109.985 -1.370 -4.277 1.00 0.00 N ATOM 0 H HIS A 5 115.484 1.180 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 5 113.835 -0.262 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 5 113.675 0.211 -5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 5 114.076 -1.491 -5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 5 110.934 -0.281 -5.933 1.00 0.00 H new ATOM 0 HE1 HIS A 5 110.012 -2.465 -2.441 1.00 0.00 H new ATOM 0 HE2 HIS A 5 108.991 -1.336 -4.503 1.00 0.00 H new ATOM 88 N HIS A 6 115.478 -2.092 -1.789 1.00 0.00 N ATOM 89 CA HIS A 6 116.032 -3.345 -1.284 1.00 0.00 C ATOM 90 C HIS A 6 115.634 -3.552 0.173 1.00 0.00 C ATOM 91 O HIS A 6 115.746 -4.656 0.707 1.00 0.00 O ATOM 92 CB HIS A 6 117.558 -3.328 -1.405 1.00 0.00 C ATOM 93 CG HIS A 6 117.953 -3.755 -2.791 1.00 0.00 C ATOM 94 ND1 HIS A 6 117.976 -2.871 -3.857 1.00 0.00 N ATOM 95 CD2 HIS A 6 118.336 -4.970 -3.303 1.00 0.00 C ATOM 96 CE1 HIS A 6 118.358 -3.561 -4.947 1.00 0.00 C ATOM 97 NE2 HIS A 6 118.591 -4.845 -4.665 1.00 0.00 N ATOM 0 H HIS A 6 115.467 -1.330 -1.111 1.00 0.00 H new ATOM 0 HA HIS A 6 115.633 -4.167 -1.879 1.00 0.00 H new ATOM 0 HB2 HIS A 6 117.939 -2.328 -1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 6 118.000 -3.997 -0.667 1.00 0.00 H new ATOM 0 HD1 HIS A 6 117.745 -1.878 -3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 6 118.426 -5.884 -2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 6 118.463 -3.129 -5.931 1.00 0.00 H new ATOM 105 N HIS A 7 115.165 -2.479 0.809 1.00 0.00 N ATOM 106 CA HIS A 7 114.746 -2.545 2.206 1.00 0.00 C ATOM 107 C HIS A 7 113.485 -3.398 2.344 1.00 0.00 C ATOM 108 O HIS A 7 113.181 -3.900 3.427 1.00 0.00 O ATOM 109 CB HIS A 7 114.473 -1.134 2.733 1.00 0.00 C ATOM 110 CG HIS A 7 115.769 -0.381 2.859 1.00 0.00 C ATOM 111 ND1 HIS A 7 116.365 -0.135 4.086 1.00 0.00 N ATOM 112 CD2 HIS A 7 116.593 0.190 1.921 1.00 0.00 C ATOM 113 CE1 HIS A 7 117.496 0.558 3.856 1.00 0.00 C ATOM 114 NE2 HIS A 7 117.683 0.783 2.554 1.00 0.00 N ATOM 0 H HIS A 7 115.066 -1.559 0.381 1.00 0.00 H new ATOM 0 HA HIS A 7 115.546 -3.002 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 7 113.799 -0.607 2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 7 113.976 -1.187 3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 7 116.422 0.181 0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 7 118.170 0.891 4.631 1.00 0.00 H new ATOM 0 HE2 HIS A 7 118.458 1.282 2.116 1.00 0.00 H new ATOM 122 N GLY A 8 112.761 -3.558 1.237 1.00 0.00 N ATOM 123 CA GLY A 8 111.538 -4.356 1.235 1.00 0.00 C ATOM 124 C GLY A 8 110.357 -3.556 1.773 1.00 0.00 C ATOM 125 O GLY A 8 110.058 -3.602 2.967 1.00 0.00 O ATOM 0 H GLY A 8 113.000 -3.147 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 8 111.321 -4.692 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 8 111.683 -5.249 1.843 1.00 0.00 H new ATOM 129 N GLU A 9 109.687 -2.828 0.882 1.00 0.00 N ATOM 130 CA GLU A 9 108.533 -2.022 1.269 1.00 0.00 C ATOM 131 C GLU A 9 107.268 -2.591 0.642 1.00 0.00 C ATOM 132 O GLU A 9 107.286 -3.047 -0.503 1.00 0.00 O ATOM 133 CB GLU A 9 108.726 -0.572 0.811 1.00 0.00 C ATOM 134 CG GLU A 9 109.692 0.148 1.759 1.00 0.00 C ATOM 135 CD GLU A 9 111.077 -0.489 1.684 1.00 0.00 C ATOM 136 OE1 GLU A 9 111.668 -0.460 0.615 1.00 0.00 O ATOM 137 OE2 GLU A 9 111.525 -1.000 2.696 1.00 0.00 O ATOM 0 H GLU A 9 109.923 -2.780 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 9 108.438 -2.044 2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 9 109.117 -0.551 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 9 107.766 -0.056 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 9 109.754 1.203 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 9 109.315 0.098 2.781 1.00 0.00 H new ATOM 144 N PHE A 10 106.173 -2.565 1.395 1.00 0.00 N ATOM 145 CA PHE A 10 104.907 -3.086 0.899 1.00 0.00 C ATOM 146 C PHE A 10 103.924 -1.946 0.679 1.00 0.00 C ATOM 147 O PHE A 10 103.597 -1.207 1.608 1.00 0.00 O ATOM 148 CB PHE A 10 104.322 -4.085 1.904 1.00 0.00 C ATOM 149 CG PHE A 10 105.445 -4.857 2.560 1.00 0.00 C ATOM 150 CD1 PHE A 10 106.258 -5.700 1.790 1.00 0.00 C ATOM 151 CD2 PHE A 10 105.676 -4.726 3.935 1.00 0.00 C ATOM 152 CE1 PHE A 10 107.299 -6.413 2.396 1.00 0.00 C ATOM 153 CE2 PHE A 10 106.719 -5.438 4.540 1.00 0.00 C ATOM 154 CZ PHE A 10 107.531 -6.281 3.771 1.00 0.00 C ATOM 0 H PHE A 10 106.138 -2.192 2.344 1.00 0.00 H new ATOM 0 HA PHE A 10 105.083 -3.593 -0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 10 103.739 -3.558 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 10 103.642 -4.771 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.081 -5.799 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 10 105.050 -4.076 4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 10 107.923 -7.065 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 10 106.897 -5.337 5.600 1.00 0.00 H new ATOM 0 HZ PHE A 10 108.336 -6.829 4.238 1.00 0.00 H new ATOM 164 N GLN A 11 103.461 -1.810 -0.557 1.00 0.00 N ATOM 165 CA GLN A 11 102.515 -0.757 -0.897 1.00 0.00 C ATOM 166 C GLN A 11 101.266 -1.351 -1.540 1.00 0.00 C ATOM 167 O GLN A 11 101.329 -1.935 -2.623 1.00 0.00 O ATOM 168 CB GLN A 11 103.179 0.253 -1.841 1.00 0.00 C ATOM 169 CG GLN A 11 103.527 -0.421 -3.173 1.00 0.00 C ATOM 170 CD GLN A 11 104.700 0.295 -3.839 1.00 0.00 C ATOM 171 OE1 GLN A 11 104.923 1.483 -3.604 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.468 -0.362 -4.664 1.00 0.00 N ATOM 0 H GLN A 11 103.724 -2.413 -1.337 1.00 0.00 H new ATOM 0 HA GLN A 11 102.215 -0.241 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.509 1.095 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.082 0.654 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 11 103.780 -1.468 -3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 11 102.660 -0.405 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.283 -1.346 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.253 0.108 -5.114 1.00 0.00 H new ATOM 181 N ILE A 12 100.132 -1.212 -0.858 1.00 0.00 N ATOM 182 CA ILE A 12 98.876 -1.753 -1.368 1.00 0.00 C ATOM 183 C ILE A 12 98.336 -0.894 -2.504 1.00 0.00 C ATOM 184 O ILE A 12 98.879 0.169 -2.810 1.00 0.00 O ATOM 185 CB ILE A 12 97.836 -1.834 -0.244 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.508 -0.423 0.262 1.00 0.00 C ATOM 187 CG2 ILE A 12 98.395 -2.676 0.907 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.356 -0.489 1.269 1.00 0.00 C ATOM 0 H ILE A 12 100.057 -0.734 0.040 1.00 0.00 H new ATOM 0 HA ILE A 12 99.072 -2.755 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 12 96.926 -2.298 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.388 0.019 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.235 0.219 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 12 97.657 -2.735 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 12 98.621 -3.680 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.306 -2.214 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.127 0.515 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.475 -0.913 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.645 -1.116 2.112 1.00 0.00 H new ATOM 200 N PHE A 13 97.255 -1.365 -3.117 1.00 0.00 N ATOM 201 CA PHE A 13 96.625 -0.643 -4.213 1.00 0.00 C ATOM 202 C PHE A 13 95.170 -0.365 -3.879 1.00 0.00 C ATOM 203 O PHE A 13 94.444 -1.258 -3.452 1.00 0.00 O ATOM 204 CB PHE A 13 96.714 -1.461 -5.504 1.00 0.00 C ATOM 205 CG PHE A 13 98.131 -1.433 -6.027 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.115 -2.230 -5.428 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.462 -0.610 -7.111 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.428 -2.204 -5.913 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.774 -0.585 -7.595 1.00 0.00 C ATOM 210 CZ PHE A 13 100.758 -1.381 -6.996 1.00 0.00 C ATOM 0 H PHE A 13 96.798 -2.244 -2.872 1.00 0.00 H new ATOM 0 HA PHE A 13 97.147 0.303 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.405 -2.489 -5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.032 -1.055 -6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 13 98.861 -2.865 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.704 0.005 -7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.186 -2.819 -5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 13 100.028 0.049 -8.432 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.771 -1.360 -7.369 1.00 0.00 H new ATOM 220 N ALA A 14 94.751 0.879 -4.084 1.00 0.00 N ATOM 221 CA ALA A 14 93.376 1.272 -3.808 1.00 0.00 C ATOM 222 C ALA A 14 92.694 1.702 -5.098 1.00 0.00 C ATOM 223 O ALA A 14 93.263 2.456 -5.887 1.00 0.00 O ATOM 224 CB ALA A 14 93.354 2.424 -2.802 1.00 0.00 C ATOM 0 H ALA A 14 95.343 1.630 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 14 92.841 0.421 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.322 2.712 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.829 2.106 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 14 93.895 3.276 -3.213 1.00 0.00 H new ATOM 230 N LYS A 15 91.476 1.216 -5.310 1.00 0.00 N ATOM 231 CA LYS A 15 90.732 1.561 -6.513 1.00 0.00 C ATOM 232 C LYS A 15 89.322 2.014 -6.168 1.00 0.00 C ATOM 233 O LYS A 15 88.523 1.247 -5.632 1.00 0.00 O ATOM 234 CB LYS A 15 90.664 0.363 -7.461 1.00 0.00 C ATOM 235 CG LYS A 15 90.131 0.825 -8.824 1.00 0.00 C ATOM 236 CD LYS A 15 91.102 0.400 -9.932 1.00 0.00 C ATOM 237 CE LYS A 15 90.780 -1.027 -10.386 1.00 0.00 C ATOM 238 NZ LYS A 15 90.925 -1.964 -9.237 1.00 0.00 N ATOM 0 H LYS A 15 90.988 0.588 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 15 91.255 2.381 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.653 -0.081 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.015 -0.408 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.147 0.393 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.010 1.908 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.027 1.085 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.128 0.453 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 15 89.765 -1.073 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 15 91.449 -1.321 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 90.975 -2.941 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 91.795 -1.740 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 90.106 -1.866 -8.604 1.00 0.00 H new ATOM 252 N THR A 16 89.024 3.266 -6.488 1.00 0.00 N ATOM 253 CA THR A 16 87.707 3.817 -6.219 1.00 0.00 C ATOM 254 C THR A 16 86.685 3.252 -7.198 1.00 0.00 C ATOM 255 O THR A 16 87.042 2.559 -8.153 1.00 0.00 O ATOM 256 CB THR A 16 87.748 5.342 -6.339 1.00 0.00 C ATOM 257 OG1 THR A 16 88.033 5.700 -7.684 1.00 0.00 O ATOM 258 CG2 THR A 16 88.834 5.905 -5.418 1.00 0.00 C ATOM 0 H THR A 16 89.674 3.915 -6.932 1.00 0.00 H new ATOM 0 HA THR A 16 87.413 3.541 -5.206 1.00 0.00 H new ATOM 0 HB THR A 16 86.782 5.754 -6.047 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.370 6.620 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 16 88.859 6.991 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 16 88.614 5.630 -4.386 1.00 0.00 H new ATOM 0 HG23 THR A 16 89.802 5.495 -5.704 1.00 0.00 H new ATOM 266 N LEU A 17 85.413 3.554 -6.958 1.00 0.00 N ATOM 267 CA LEU A 17 84.346 3.073 -7.828 1.00 0.00 C ATOM 268 C LEU A 17 84.392 3.790 -9.177 1.00 0.00 C ATOM 269 O LEU A 17 83.700 3.404 -10.119 1.00 0.00 O ATOM 270 CB LEU A 17 82.987 3.306 -7.158 1.00 0.00 C ATOM 271 CG LEU A 17 81.898 2.471 -7.846 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.354 1.013 -7.984 1.00 0.00 C ATOM 273 CD2 LEU A 17 80.624 2.520 -7.004 1.00 0.00 C ATOM 0 H LEU A 17 85.098 4.125 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 17 84.486 2.005 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.045 3.040 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 17 82.728 4.364 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 17 81.709 2.880 -8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.572 0.432 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.265 0.972 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.549 0.598 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 17 79.846 1.929 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 17 80.827 2.113 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.289 3.553 -6.910 1.00 0.00 H new ATOM 285 N THR A 18 85.218 4.830 -9.258 1.00 0.00 N ATOM 286 CA THR A 18 85.357 5.597 -10.493 1.00 0.00 C ATOM 287 C THR A 18 86.370 4.933 -11.425 1.00 0.00 C ATOM 288 O THR A 18 86.369 5.179 -12.632 1.00 0.00 O ATOM 289 CB THR A 18 85.813 7.025 -10.176 1.00 0.00 C ATOM 290 OG1 THR A 18 87.173 7.011 -9.766 1.00 0.00 O ATOM 291 CG2 THR A 18 84.946 7.610 -9.056 1.00 0.00 C ATOM 0 H THR A 18 85.799 5.160 -8.487 1.00 0.00 H new ATOM 0 HA THR A 18 84.387 5.628 -10.989 1.00 0.00 H new ATOM 0 HB THR A 18 85.710 7.641 -11.069 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.336 6.228 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 18 85.274 8.625 -8.834 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.904 7.627 -9.374 1.00 0.00 H new ATOM 0 HG23 THR A 18 85.043 6.994 -8.162 1.00 0.00 H new ATOM 299 N GLY A 19 87.232 4.094 -10.853 1.00 0.00 N ATOM 300 CA GLY A 19 88.251 3.398 -11.634 1.00 0.00 C ATOM 301 C GLY A 19 89.607 4.081 -11.495 1.00 0.00 C ATOM 302 O GLY A 19 90.446 4.003 -12.393 1.00 0.00 O ATOM 0 H GLY A 19 87.245 3.881 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.325 2.363 -11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.957 3.375 -12.683 1.00 0.00 H new ATOM 306 N LYS A 20 89.814 4.748 -10.362 1.00 0.00 N ATOM 307 CA LYS A 20 91.072 5.443 -10.104 1.00 0.00 C ATOM 308 C LYS A 20 91.995 4.556 -9.273 1.00 0.00 C ATOM 309 O LYS A 20 91.638 4.141 -8.172 1.00 0.00 O ATOM 310 CB LYS A 20 90.798 6.754 -9.357 1.00 0.00 C ATOM 311 CG LYS A 20 91.759 7.843 -9.847 1.00 0.00 C ATOM 312 CD LYS A 20 93.177 7.552 -9.341 1.00 0.00 C ATOM 313 CE LYS A 20 94.032 8.815 -9.452 1.00 0.00 C ATOM 314 NZ LYS A 20 94.131 9.222 -10.882 1.00 0.00 N ATOM 0 H LYS A 20 89.129 4.822 -9.610 1.00 0.00 H new ATOM 0 HA LYS A 20 91.556 5.668 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.767 7.067 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.920 6.604 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 20 91.753 7.883 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.429 8.819 -9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.142 7.215 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.623 6.746 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 20 93.590 9.619 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 20 95.026 8.631 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 94.901 9.912 -10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 94.327 8.386 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 93.234 9.653 -11.183 1.00 0.00 H new ATOM 328 N THR A 21 93.181 4.270 -9.806 1.00 0.00 N ATOM 329 CA THR A 21 94.145 3.427 -9.104 1.00 0.00 C ATOM 330 C THR A 21 95.106 4.280 -8.279 1.00 0.00 C ATOM 331 O THR A 21 95.671 5.255 -8.777 1.00 0.00 O ATOM 332 CB THR A 21 94.935 2.584 -10.112 1.00 0.00 C ATOM 333 OG1 THR A 21 94.048 2.085 -11.105 1.00 0.00 O ATOM 334 CG2 THR A 21 95.611 1.412 -9.396 1.00 0.00 C ATOM 0 H THR A 21 93.496 4.607 -10.716 1.00 0.00 H new ATOM 0 HA THR A 21 93.599 2.767 -8.430 1.00 0.00 H new ATOM 0 HB THR A 21 95.699 3.205 -10.580 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.550 1.547 -11.752 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.170 0.818 -10.119 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.292 1.794 -8.636 1.00 0.00 H new ATOM 0 HG23 THR A 21 94.853 0.788 -8.923 1.00 0.00 H new ATOM 342 N ILE A 22 95.283 3.903 -7.014 1.00 0.00 N ATOM 343 CA ILE A 22 96.175 4.632 -6.113 1.00 0.00 C ATOM 344 C ILE A 22 97.087 3.664 -5.364 1.00 0.00 C ATOM 345 O ILE A 22 96.618 2.693 -4.770 1.00 0.00 O ATOM 346 CB ILE A 22 95.353 5.446 -5.105 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.385 6.372 -5.856 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.291 6.292 -4.238 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.968 5.798 -5.794 1.00 0.00 C ATOM 0 H ILE A 22 94.822 3.098 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 22 96.789 5.307 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 22 94.787 4.763 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.404 7.368 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.700 6.478 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.704 6.869 -3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.978 5.638 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.859 6.971 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.284 6.458 -6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.955 4.811 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 22 92.654 5.716 -4.753 1.00 0.00 H new ATOM 361 N THR A 23 98.390 3.939 -5.392 1.00 0.00 N ATOM 362 CA THR A 23 99.361 3.090 -4.707 1.00 0.00 C ATOM 363 C THR A 23 99.880 3.786 -3.452 1.00 0.00 C ATOM 364 O THR A 23 100.447 4.876 -3.526 1.00 0.00 O ATOM 365 CB THR A 23 100.531 2.774 -5.645 1.00 0.00 C ATOM 366 OG1 THR A 23 100.023 2.368 -6.909 1.00 0.00 O ATOM 367 CG2 THR A 23 101.381 1.650 -5.047 1.00 0.00 C ATOM 0 H THR A 23 98.795 4.738 -5.879 1.00 0.00 H new ATOM 0 HA THR A 23 98.870 2.161 -4.418 1.00 0.00 H new ATOM 0 HB THR A 23 101.149 3.663 -5.769 1.00 0.00 H new ATOM 0 HG1 THR A 23 99.848 1.404 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.212 1.427 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.769 1.964 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.768 0.758 -4.921 1.00 0.00 H new ATOM 375 N LEU A 24 99.676 3.150 -2.299 1.00 0.00 N ATOM 376 CA LEU A 24 100.119 3.719 -1.028 1.00 0.00 C ATOM 377 C LEU A 24 100.981 2.727 -0.252 1.00 0.00 C ATOM 378 O LEU A 24 100.702 1.525 -0.230 1.00 0.00 O ATOM 379 CB LEU A 24 98.908 4.124 -0.177 1.00 0.00 C ATOM 380 CG LEU A 24 97.830 3.035 -0.247 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.972 3.084 1.020 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.938 3.263 -1.476 1.00 0.00 C ATOM 0 H LEU A 24 99.210 2.246 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 24 100.719 4.602 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.215 4.277 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.503 5.071 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 24 98.310 2.060 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.206 2.310 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.602 2.915 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.496 4.061 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.174 2.487 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.459 4.239 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.547 3.225 -2.379 1.00 0.00 H new ATOM 394 N GLU A 25 102.030 3.249 0.386 1.00 0.00 N ATOM 395 CA GLU A 25 102.941 2.419 1.170 1.00 0.00 C ATOM 396 C GLU A 25 102.415 2.246 2.591 1.00 0.00 C ATOM 397 O GLU A 25 102.332 3.207 3.356 1.00 0.00 O ATOM 398 CB GLU A 25 104.332 3.060 1.209 1.00 0.00 C ATOM 399 CG GLU A 25 104.802 3.365 -0.218 1.00 0.00 C ATOM 400 CD GLU A 25 106.285 3.035 -0.366 1.00 0.00 C ATOM 401 OE1 GLU A 25 106.596 1.879 -0.601 1.00 0.00 O ATOM 402 OE2 GLU A 25 107.089 3.946 -0.244 1.00 0.00 O ATOM 0 H GLU A 25 102.268 4.241 0.374 1.00 0.00 H new ATOM 0 HA GLU A 25 103.009 1.439 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.303 3.978 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 25 105.038 2.390 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 25 104.219 2.784 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.631 4.417 -0.448 1.00 0.00 H new ATOM 409 N VAL A 26 102.051 1.012 2.927 1.00 0.00 N ATOM 410 CA VAL A 26 101.522 0.711 4.255 1.00 0.00 C ATOM 411 C VAL A 26 102.083 -0.607 4.783 1.00 0.00 C ATOM 412 O VAL A 26 102.480 -1.483 4.012 1.00 0.00 O ATOM 413 CB VAL A 26 99.992 0.637 4.204 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.418 2.026 3.906 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.561 -0.338 3.103 1.00 0.00 C ATOM 0 H VAL A 26 102.112 0.208 2.303 1.00 0.00 H new ATOM 0 HA VAL A 26 101.826 1.510 4.931 1.00 0.00 H new ATOM 0 HB VAL A 26 99.617 0.288 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.330 1.970 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.720 2.720 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.795 2.377 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.473 -0.389 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.939 0.009 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.964 -1.328 3.315 1.00 0.00 H new ATOM 425 N GLU A 27 102.105 -0.735 6.106 1.00 0.00 N ATOM 426 CA GLU A 27 102.615 -1.945 6.748 1.00 0.00 C ATOM 427 C GLU A 27 101.678 -3.118 6.481 1.00 0.00 C ATOM 428 O GLU A 27 100.519 -2.924 6.121 1.00 0.00 O ATOM 429 CB GLU A 27 102.744 -1.727 8.259 1.00 0.00 C ATOM 430 CG GLU A 27 103.578 -0.470 8.533 1.00 0.00 C ATOM 431 CD GLU A 27 105.063 -0.822 8.557 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.551 -1.176 9.619 1.00 0.00 O ATOM 433 OE2 GLU A 27 105.690 -0.735 7.514 1.00 0.00 O ATOM 0 H GLU A 27 101.777 -0.019 6.754 1.00 0.00 H new ATOM 0 HA GLU A 27 103.597 -2.169 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.755 -1.623 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 27 103.214 -2.595 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 27 103.386 0.278 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.285 -0.030 9.486 1.00 0.00 H new ATOM 440 N SER A 28 102.184 -4.334 6.660 1.00 0.00 N ATOM 441 CA SER A 28 101.376 -5.530 6.433 1.00 0.00 C ATOM 442 C SER A 28 100.216 -5.600 7.422 1.00 0.00 C ATOM 443 O SER A 28 99.277 -6.371 7.229 1.00 0.00 O ATOM 444 CB SER A 28 102.244 -6.782 6.575 1.00 0.00 C ATOM 445 OG SER A 28 101.503 -7.917 6.147 1.00 0.00 O ATOM 0 H SER A 28 103.142 -4.518 6.959 1.00 0.00 H new ATOM 0 HA SER A 28 100.970 -5.479 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 28 103.151 -6.679 5.979 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.556 -6.907 7.612 1.00 0.00 H new ATOM 0 HG SER A 28 100.544 -7.724 6.209 1.00 0.00 H new ATOM 451 N SER A 29 100.309 -4.824 8.500 1.00 0.00 N ATOM 452 CA SER A 29 99.282 -4.824 9.537 1.00 0.00 C ATOM 453 C SER A 29 98.614 -3.455 9.666 1.00 0.00 C ATOM 454 O SER A 29 97.789 -3.250 10.558 1.00 0.00 O ATOM 455 CB SER A 29 99.904 -5.213 10.879 1.00 0.00 C ATOM 456 OG SER A 29 98.893 -5.739 11.731 1.00 0.00 O ATOM 0 H SER A 29 101.086 -4.187 8.677 1.00 0.00 H new ATOM 0 HA SER A 29 98.520 -5.550 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.690 -5.953 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.370 -4.344 11.342 1.00 0.00 H new ATOM 0 HG SER A 29 98.109 -5.151 11.710 1.00 0.00 H new ATOM 462 N ASP A 30 98.977 -2.521 8.782 1.00 0.00 N ATOM 463 CA ASP A 30 98.402 -1.173 8.814 1.00 0.00 C ATOM 464 C ASP A 30 96.887 -1.228 9.015 1.00 0.00 C ATOM 465 O ASP A 30 96.248 -2.237 8.715 1.00 0.00 O ATOM 466 CB ASP A 30 98.720 -0.443 7.503 1.00 0.00 C ATOM 467 CG ASP A 30 99.628 0.759 7.761 1.00 0.00 C ATOM 468 OD1 ASP A 30 100.614 0.597 8.462 1.00 0.00 O ATOM 469 OD2 ASP A 30 99.330 1.822 7.246 1.00 0.00 O ATOM 0 H ASP A 30 99.661 -2.672 8.041 1.00 0.00 H new ATOM 0 HA ASP A 30 98.842 -0.633 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.204 -1.128 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.795 -0.112 7.032 1.00 0.00 H new ATOM 474 N THR A 31 96.319 -0.137 9.525 1.00 0.00 N ATOM 475 CA THR A 31 94.879 -0.076 9.766 1.00 0.00 C ATOM 476 C THR A 31 94.191 0.817 8.739 1.00 0.00 C ATOM 477 O THR A 31 94.843 1.593 8.039 1.00 0.00 O ATOM 478 CB THR A 31 94.606 0.461 11.174 1.00 0.00 C ATOM 479 OG1 THR A 31 94.809 1.867 11.191 1.00 0.00 O ATOM 480 CG2 THR A 31 95.552 -0.205 12.175 1.00 0.00 C ATOM 0 H THR A 31 96.829 0.710 9.777 1.00 0.00 H new ATOM 0 HA THR A 31 94.477 -1.085 9.675 1.00 0.00 H new ATOM 0 HB THR A 31 93.576 0.238 11.452 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.633 2.212 12.091 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.354 0.181 13.175 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.393 -1.283 12.164 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.584 0.013 11.900 1.00 0.00 H new ATOM 488 N ILE A 32 92.866 0.699 8.662 1.00 0.00 N ATOM 489 CA ILE A 32 92.077 1.497 7.724 1.00 0.00 C ATOM 490 C ILE A 32 92.419 2.980 7.849 1.00 0.00 C ATOM 491 O ILE A 32 92.734 3.634 6.857 1.00 0.00 O ATOM 492 CB ILE A 32 90.584 1.293 7.996 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.232 -0.198 7.905 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.756 2.079 6.973 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.719 -0.779 6.572 1.00 0.00 C ATOM 0 H ILE A 32 92.317 0.060 9.237 1.00 0.00 H new ATOM 0 HA ILE A 32 92.315 1.169 6.712 1.00 0.00 H new ATOM 0 HB ILE A 32 90.356 1.654 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.690 -0.738 8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.154 -0.330 7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.695 1.930 7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.994 3.140 7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.990 1.727 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.463 -1.837 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.241 -0.250 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.800 -0.664 6.498 1.00 0.00 H new ATOM 507 N ASP A 33 92.343 3.505 9.071 1.00 0.00 N ATOM 508 CA ASP A 33 92.642 4.915 9.314 1.00 0.00 C ATOM 509 C ASP A 33 93.879 5.355 8.531 1.00 0.00 C ATOM 510 O ASP A 33 93.852 6.364 7.827 1.00 0.00 O ATOM 511 CB ASP A 33 92.870 5.149 10.810 1.00 0.00 C ATOM 512 CG ASP A 33 93.049 6.641 11.084 1.00 0.00 C ATOM 513 OD1 ASP A 33 94.173 7.107 11.006 1.00 0.00 O ATOM 514 OD2 ASP A 33 92.058 7.295 11.368 1.00 0.00 O ATOM 0 H ASP A 33 92.079 2.979 9.904 1.00 0.00 H new ATOM 0 HA ASP A 33 91.791 5.507 8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 33 92.024 4.765 11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.752 4.601 11.142 1.00 0.00 H new ATOM 519 N ASN A 34 94.959 4.586 8.660 1.00 0.00 N ATOM 520 CA ASN A 34 96.202 4.897 7.961 1.00 0.00 C ATOM 521 C ASN A 34 96.002 4.811 6.449 1.00 0.00 C ATOM 522 O ASN A 34 96.561 5.604 5.691 1.00 0.00 O ATOM 523 CB ASN A 34 97.297 3.917 8.388 1.00 0.00 C ATOM 524 CG ASN A 34 98.674 4.523 8.134 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.961 4.981 7.028 1.00 0.00 O ATOM 526 ND2 ASN A 34 99.551 4.549 9.099 1.00 0.00 N ATOM 0 H ASN A 34 94.997 3.747 9.239 1.00 0.00 H new ATOM 0 HA ASN A 34 96.500 5.913 8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 34 97.187 3.676 9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.195 2.983 7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 34 100.475 4.949 8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.313 4.169 10.015 1.00 0.00 H new ATOM 533 N VAL A 35 95.191 3.846 6.029 1.00 0.00 N ATOM 534 CA VAL A 35 94.906 3.659 4.608 1.00 0.00 C ATOM 535 C VAL A 35 94.171 4.879 4.056 1.00 0.00 C ATOM 536 O VAL A 35 94.569 5.448 3.036 1.00 0.00 O ATOM 537 CB VAL A 35 94.059 2.396 4.399 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.680 2.266 2.921 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.863 1.163 4.827 1.00 0.00 C ATOM 0 H VAL A 35 94.721 3.184 6.647 1.00 0.00 H new ATOM 0 HA VAL A 35 95.849 3.542 4.074 1.00 0.00 H new ATOM 0 HB VAL A 35 93.153 2.469 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.079 1.368 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.106 3.140 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.585 2.197 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.261 0.267 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.771 1.094 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.130 1.250 5.880 1.00 0.00 H new ATOM 549 N LYS A 36 93.103 5.283 4.743 1.00 0.00 N ATOM 550 CA LYS A 36 92.324 6.441 4.321 1.00 0.00 C ATOM 551 C LYS A 36 93.210 7.683 4.270 1.00 0.00 C ATOM 552 O LYS A 36 93.382 8.288 3.213 1.00 0.00 O ATOM 553 CB LYS A 36 91.160 6.672 5.289 1.00 0.00 C ATOM 554 CG LYS A 36 90.309 5.401 5.388 1.00 0.00 C ATOM 555 CD LYS A 36 88.881 5.764 5.807 1.00 0.00 C ATOM 556 CE LYS A 36 88.862 6.157 7.286 1.00 0.00 C ATOM 557 NZ LYS A 36 87.470 6.497 7.694 1.00 0.00 N ATOM 0 H LYS A 36 92.761 4.827 5.589 1.00 0.00 H new ATOM 0 HA LYS A 36 91.926 6.250 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.542 6.943 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.548 7.505 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.296 4.885 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.747 4.715 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.511 6.588 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.215 4.918 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 36 89.240 5.337 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 36 89.520 7.010 7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 87.466 6.813 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 87.106 7.259 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 86.865 5.657 7.596 1.00 0.00 H new ATOM 571 N SER A 37 93.768 8.057 5.421 1.00 0.00 N ATOM 572 CA SER A 37 94.639 9.228 5.498 1.00 0.00 C ATOM 573 C SER A 37 95.676 9.197 4.376 1.00 0.00 C ATOM 574 O SER A 37 95.881 10.189 3.681 1.00 0.00 O ATOM 575 CB SER A 37 95.345 9.266 6.854 1.00 0.00 C ATOM 576 OG SER A 37 95.995 8.022 7.083 1.00 0.00 O ATOM 0 H SER A 37 93.634 7.570 6.307 1.00 0.00 H new ATOM 0 HA SER A 37 94.027 10.123 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 37 96.072 10.078 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.623 9.463 7.647 1.00 0.00 H new ATOM 0 HG SER A 37 95.325 7.334 7.277 1.00 0.00 H new ATOM 582 N LYS A 38 96.320 8.044 4.202 1.00 0.00 N ATOM 583 CA LYS A 38 97.326 7.891 3.152 1.00 0.00 C ATOM 584 C LYS A 38 96.752 8.331 1.807 1.00 0.00 C ATOM 585 O LYS A 38 97.465 8.867 0.957 1.00 0.00 O ATOM 586 CB LYS A 38 97.780 6.430 3.063 1.00 0.00 C ATOM 587 CG LYS A 38 98.945 6.190 4.029 1.00 0.00 C ATOM 588 CD LYS A 38 100.270 6.494 3.322 1.00 0.00 C ATOM 589 CE LYS A 38 101.376 6.688 4.363 1.00 0.00 C ATOM 590 NZ LYS A 38 101.587 5.416 5.110 1.00 0.00 N ATOM 0 H LYS A 38 96.166 7.210 4.768 1.00 0.00 H new ATOM 0 HA LYS A 38 98.183 8.517 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.951 5.766 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.087 6.196 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.837 6.824 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.935 5.157 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.530 5.677 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.170 7.391 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 38 102.301 6.992 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.104 7.486 5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.415 5.512 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.745 5.206 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.749 4.640 4.436 1.00 0.00 H new ATOM 604 N ILE A 39 95.453 8.098 1.630 1.00 0.00 N ATOM 605 CA ILE A 39 94.771 8.466 0.393 1.00 0.00 C ATOM 606 C ILE A 39 94.569 9.983 0.304 1.00 0.00 C ATOM 607 O ILE A 39 94.837 10.583 -0.735 1.00 0.00 O ATOM 608 CB ILE A 39 93.420 7.724 0.313 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.385 6.859 -0.957 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.247 8.715 0.297 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.052 7.725 -2.176 1.00 0.00 C ATOM 0 H ILE A 39 94.853 7.657 2.327 1.00 0.00 H new ATOM 0 HA ILE A 39 95.391 8.171 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 39 93.320 7.091 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.349 6.371 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.641 6.070 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.307 8.166 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.263 9.313 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.337 9.371 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.030 7.102 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.077 8.192 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.812 8.498 -2.291 1.00 0.00 H new ATOM 623 N GLN A 40 94.074 10.598 1.383 1.00 0.00 N ATOM 624 CA GLN A 40 93.824 12.043 1.383 1.00 0.00 C ATOM 625 C GLN A 40 95.081 12.833 1.036 1.00 0.00 C ATOM 626 O GLN A 40 95.001 13.913 0.460 1.00 0.00 O ATOM 627 CB GLN A 40 93.270 12.487 2.745 1.00 0.00 C ATOM 628 CG GLN A 40 94.404 12.698 3.757 1.00 0.00 C ATOM 629 CD GLN A 40 94.619 14.187 4.002 1.00 0.00 C ATOM 630 OE1 GLN A 40 95.362 14.838 3.268 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.010 14.768 4.999 1.00 0.00 N ATOM 0 H GLN A 40 93.841 10.126 2.256 1.00 0.00 H new ATOM 0 HA GLN A 40 93.082 12.251 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.705 13.412 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.576 11.736 3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.162 12.199 4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.323 12.247 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 40 93.395 14.227 5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.149 15.764 5.171 1.00 0.00 H new ATOM 640 N ASP A 41 96.241 12.294 1.381 1.00 0.00 N ATOM 641 CA ASP A 41 97.493 12.972 1.080 1.00 0.00 C ATOM 642 C ASP A 41 97.801 12.845 -0.409 1.00 0.00 C ATOM 643 O ASP A 41 98.486 13.685 -0.992 1.00 0.00 O ATOM 644 CB ASP A 41 98.630 12.355 1.899 1.00 0.00 C ATOM 645 CG ASP A 41 99.894 13.200 1.759 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.070 14.104 2.559 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.665 12.931 0.853 1.00 0.00 O ATOM 0 H ASP A 41 96.342 11.401 1.863 1.00 0.00 H new ATOM 0 HA ASP A 41 97.400 14.027 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.340 12.291 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.823 11.338 1.559 1.00 0.00 H new ATOM 652 N LYS A 42 97.297 11.767 -1.002 1.00 0.00 N ATOM 653 CA LYS A 42 97.524 11.493 -2.416 1.00 0.00 C ATOM 654 C LYS A 42 96.414 12.063 -3.306 1.00 0.00 C ATOM 655 O LYS A 42 96.698 12.589 -4.382 1.00 0.00 O ATOM 656 CB LYS A 42 97.625 9.982 -2.629 1.00 0.00 C ATOM 657 CG LYS A 42 98.919 9.457 -1.996 1.00 0.00 C ATOM 658 CD LYS A 42 99.933 9.122 -3.095 1.00 0.00 C ATOM 659 CE LYS A 42 99.564 7.788 -3.745 1.00 0.00 C ATOM 660 NZ LYS A 42 100.586 7.434 -4.769 1.00 0.00 N ATOM 0 H LYS A 42 96.728 11.068 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 42 98.455 11.983 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.763 9.484 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.611 9.753 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 42 99.334 10.205 -1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.709 8.570 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.945 9.912 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 42 100.937 9.067 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 42 99.507 7.006 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 42 98.579 7.857 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 100.185 7.566 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.418 8.048 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 100.870 6.441 -4.647 1.00 0.00 H new ATOM 674 N GLU A 43 95.154 11.934 -2.878 1.00 0.00 N ATOM 675 CA GLU A 43 94.028 12.419 -3.685 1.00 0.00 C ATOM 676 C GLU A 43 93.266 13.558 -2.997 1.00 0.00 C ATOM 677 O GLU A 43 92.258 14.033 -3.522 1.00 0.00 O ATOM 678 CB GLU A 43 93.063 11.259 -3.964 1.00 0.00 C ATOM 679 CG GLU A 43 93.565 10.427 -5.150 1.00 0.00 C ATOM 680 CD GLU A 43 94.937 9.829 -4.844 1.00 0.00 C ATOM 681 OE1 GLU A 43 95.057 9.153 -3.837 1.00 0.00 O ATOM 682 OE2 GLU A 43 95.847 10.051 -5.626 1.00 0.00 O ATOM 0 H GLU A 43 94.890 11.505 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 43 94.437 12.811 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.975 10.628 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.068 11.648 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 43 92.855 9.629 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.625 11.053 -6.041 1.00 0.00 H new ATOM 689 N GLY A 44 93.752 14.005 -1.841 1.00 0.00 N ATOM 690 CA GLY A 44 93.099 15.103 -1.122 1.00 0.00 C ATOM 691 C GLY A 44 91.866 14.625 -0.359 1.00 0.00 C ATOM 692 O GLY A 44 91.681 14.969 0.809 1.00 0.00 O ATOM 0 H GLY A 44 94.584 13.632 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.806 15.553 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.810 15.880 -1.830 1.00 0.00 H new ATOM 696 N ILE A 45 91.024 13.845 -1.038 1.00 0.00 N ATOM 697 CA ILE A 45 89.790 13.317 -0.444 1.00 0.00 C ATOM 698 C ILE A 45 89.955 13.077 1.060 1.00 0.00 C ATOM 699 O ILE A 45 90.910 12.430 1.480 1.00 0.00 O ATOM 700 CB ILE A 45 89.408 11.996 -1.126 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.680 12.087 -2.635 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.922 11.707 -0.893 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.910 13.266 -3.241 1.00 0.00 C ATOM 0 H ILE A 45 91.174 13.562 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 45 89.003 14.056 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 45 90.007 11.191 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 45 90.748 12.211 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.381 11.159 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.653 10.769 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.730 11.630 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.324 12.516 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 45 89.111 13.320 -4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 45 87.841 13.124 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 45 89.230 14.193 -2.764 1.00 0.00 H new ATOM 715 N PRO A 46 89.053 13.579 1.874 1.00 0.00 N ATOM 716 CA PRO A 46 89.123 13.404 3.353 1.00 0.00 C ATOM 717 C PRO A 46 88.783 11.975 3.783 1.00 0.00 C ATOM 718 O PRO A 46 87.833 11.377 3.276 1.00 0.00 O ATOM 719 CB PRO A 46 88.097 14.399 3.917 1.00 0.00 C ATOM 720 CG PRO A 46 87.481 15.111 2.750 1.00 0.00 C ATOM 721 CD PRO A 46 87.875 14.360 1.479 1.00 0.00 C ATOM 0 HA PRO A 46 90.132 13.586 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.334 13.878 4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.579 15.108 4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.396 15.144 2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.829 16.143 2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.068 13.715 1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.107 15.048 0.666 1.00 0.00 H new ATOM 729 N PRO A 47 89.543 11.423 4.701 1.00 0.00 N ATOM 730 CA PRO A 47 89.320 10.036 5.202 1.00 0.00 C ATOM 731 C PRO A 47 87.891 9.822 5.703 1.00 0.00 C ATOM 732 O PRO A 47 87.284 8.781 5.446 1.00 0.00 O ATOM 733 CB PRO A 47 90.323 9.856 6.349 1.00 0.00 C ATOM 734 CG PRO A 47 91.092 11.135 6.489 1.00 0.00 C ATOM 735 CD PRO A 47 90.692 12.070 5.347 1.00 0.00 C ATOM 0 HA PRO A 47 89.462 9.309 4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.803 9.619 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 47 90.997 9.026 6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.880 11.601 7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.164 10.938 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.427 13.058 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.514 12.206 4.644 1.00 0.00 H new ATOM 743 N ASP A 48 87.366 10.809 6.427 1.00 0.00 N ATOM 744 CA ASP A 48 86.011 10.722 6.973 1.00 0.00 C ATOM 745 C ASP A 48 84.965 10.623 5.860 1.00 0.00 C ATOM 746 O ASP A 48 83.783 10.409 6.129 1.00 0.00 O ATOM 747 CB ASP A 48 85.722 11.957 7.832 1.00 0.00 C ATOM 748 CG ASP A 48 85.857 13.222 6.988 1.00 0.00 C ATOM 749 OD1 ASP A 48 84.868 13.627 6.397 1.00 0.00 O ATOM 750 OD2 ASP A 48 86.948 13.765 6.942 1.00 0.00 O ATOM 0 H ASP A 48 87.856 11.676 6.649 1.00 0.00 H new ATOM 0 HA ASP A 48 85.950 9.819 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.717 11.893 8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 48 86.414 11.995 8.673 1.00 0.00 H new ATOM 755 N GLN A 49 85.408 10.783 4.616 1.00 0.00 N ATOM 756 CA GLN A 49 84.501 10.712 3.472 1.00 0.00 C ATOM 757 C GLN A 49 84.791 9.474 2.626 1.00 0.00 C ATOM 758 O GLN A 49 84.074 9.184 1.668 1.00 0.00 O ATOM 759 CB GLN A 49 84.655 11.973 2.614 1.00 0.00 C ATOM 760 CG GLN A 49 83.457 12.105 1.665 1.00 0.00 C ATOM 761 CD GLN A 49 83.900 11.902 0.216 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.805 11.113 -0.057 1.00 0.00 O ATOM 763 NE2 GLN A 49 83.308 12.570 -0.736 1.00 0.00 N ATOM 0 H GLN A 49 86.383 10.962 4.374 1.00 0.00 H new ATOM 0 HA GLN A 49 83.479 10.644 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 49 84.723 12.853 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.581 11.923 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 49 82.696 11.370 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.002 13.089 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 49 82.558 13.224 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 49 83.595 12.438 -1.706 1.00 0.00 H new ATOM 772 N GLN A 50 85.854 8.756 2.981 1.00 0.00 N ATOM 773 CA GLN A 50 86.242 7.559 2.238 1.00 0.00 C ATOM 774 C GLN A 50 85.712 6.290 2.898 1.00 0.00 C ATOM 775 O GLN A 50 85.870 6.092 4.104 1.00 0.00 O ATOM 776 CB GLN A 50 87.765 7.465 2.159 1.00 0.00 C ATOM 777 CG GLN A 50 88.335 8.726 1.504 1.00 0.00 C ATOM 778 CD GLN A 50 89.736 8.998 2.040 1.00 0.00 C ATOM 779 OE1 GLN A 50 90.165 10.146 2.096 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.477 8.001 2.440 1.00 0.00 N ATOM 0 H GLN A 50 86.458 8.979 3.772 1.00 0.00 H new ATOM 0 HA GLN A 50 85.811 7.642 1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.182 7.344 3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 50 88.054 6.585 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.368 8.602 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.686 9.578 1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.118 7.047 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.415 8.175 2.800 1.00 0.00 H new ATOM 789 N ARG A 51 85.106 5.427 2.088 1.00 0.00 N ATOM 790 CA ARG A 51 84.573 4.158 2.573 1.00 0.00 C ATOM 791 C ARG A 51 85.388 3.012 1.974 1.00 0.00 C ATOM 792 O ARG A 51 85.753 3.056 0.796 1.00 0.00 O ATOM 793 CB ARG A 51 83.099 4.025 2.173 1.00 0.00 C ATOM 794 CG ARG A 51 82.484 2.787 2.835 1.00 0.00 C ATOM 795 CD ARG A 51 81.956 3.149 4.225 1.00 0.00 C ATOM 796 NE ARG A 51 81.780 1.941 5.025 1.00 0.00 N ATOM 797 CZ ARG A 51 80.615 1.657 5.598 1.00 0.00 C ATOM 798 NH1 ARG A 51 79.651 1.134 4.893 1.00 0.00 N ATOM 799 NH2 ARG A 51 80.435 1.903 6.868 1.00 0.00 N ATOM 0 H ARG A 51 84.971 5.584 1.089 1.00 0.00 H new ATOM 0 HA ARG A 51 84.643 4.122 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 51 82.551 4.918 2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.014 3.948 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 51 81.674 2.399 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.231 1.997 2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 51 82.651 3.825 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.007 3.677 4.136 1.00 0.00 H new ATOM 0 HE ARG A 51 82.566 1.303 5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 51 79.791 0.942 3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 51 78.757 0.916 5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 51 81.188 2.313 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 51 79.541 1.685 7.308 1.00 0.00 H new ATOM 813 N LEU A 52 85.677 1.992 2.783 1.00 0.00 N ATOM 814 CA LEU A 52 86.461 0.850 2.312 1.00 0.00 C ATOM 815 C LEU A 52 85.597 -0.404 2.243 1.00 0.00 C ATOM 816 O LEU A 52 85.150 -0.911 3.269 1.00 0.00 O ATOM 817 CB LEU A 52 87.637 0.591 3.268 1.00 0.00 C ATOM 818 CG LEU A 52 88.841 1.468 2.898 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.358 1.085 1.507 1.00 0.00 C ATOM 820 CD2 LEU A 52 88.431 2.944 2.908 1.00 0.00 C ATOM 0 H LEU A 52 85.383 1.933 3.758 1.00 0.00 H new ATOM 0 HA LEU A 52 86.836 1.084 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.331 0.799 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 52 87.921 -0.461 3.227 1.00 0.00 H new ATOM 0 HG LEU A 52 89.633 1.310 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.212 1.712 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.663 0.038 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.567 1.232 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 52 89.289 3.562 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 52 87.632 3.105 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 52 88.079 3.217 3.903 1.00 0.00 H new ATOM 832 N ILE A 53 85.371 -0.901 1.030 1.00 0.00 N ATOM 833 CA ILE A 53 84.563 -2.104 0.840 1.00 0.00 C ATOM 834 C ILE A 53 85.429 -3.223 0.271 1.00 0.00 C ATOM 835 O ILE A 53 86.068 -3.056 -0.769 1.00 0.00 O ATOM 836 CB ILE A 53 83.387 -1.801 -0.105 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.150 -1.431 0.723 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.062 -3.028 -0.965 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.445 -0.197 1.580 1.00 0.00 C ATOM 0 H ILE A 53 85.733 -0.493 0.168 1.00 0.00 H new ATOM 0 HA ILE A 53 84.163 -2.425 1.802 1.00 0.00 H new ATOM 0 HB ILE A 53 83.666 -0.972 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.306 -1.232 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 53 81.865 -2.268 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.228 -2.797 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.935 -3.297 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.792 -3.864 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 53 81.562 0.059 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.276 -0.411 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 53 82.708 0.640 0.934 1.00 0.00 H new ATOM 851 N TRP A 54 85.457 -4.361 0.964 1.00 0.00 N ATOM 852 CA TRP A 54 86.258 -5.495 0.520 1.00 0.00 C ATOM 853 C TRP A 54 85.526 -6.812 0.784 1.00 0.00 C ATOM 854 O TRP A 54 84.956 -7.020 1.856 1.00 0.00 O ATOM 855 CB TRP A 54 87.613 -5.473 1.247 1.00 0.00 C ATOM 856 CG TRP A 54 88.054 -6.863 1.591 1.00 0.00 C ATOM 857 CD1 TRP A 54 87.812 -7.485 2.768 1.00 0.00 C ATOM 858 CD2 TRP A 54 88.808 -7.806 0.777 1.00 0.00 C ATOM 859 NE1 TRP A 54 88.367 -8.749 2.726 1.00 0.00 N ATOM 860 CE2 TRP A 54 88.992 -8.995 1.522 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.345 -7.748 -0.523 1.00 0.00 C ATOM 862 CZ2 TRP A 54 89.684 -10.087 0.997 1.00 0.00 C ATOM 863 CZ3 TRP A 54 90.042 -8.845 -1.054 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.210 -10.013 -0.295 1.00 0.00 C ATOM 0 H TRP A 54 84.938 -4.519 1.828 1.00 0.00 H new ATOM 0 HA TRP A 54 86.424 -5.417 -0.554 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.362 -4.995 0.616 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.534 -4.876 2.156 1.00 0.00 H new ATOM 0 HD1 TRP A 54 87.273 -7.062 3.603 1.00 0.00 H new ATOM 0 HE1 TRP A 54 88.320 -9.420 3.493 1.00 0.00 H new ATOM 0 HE3 TRP A 54 89.220 -6.854 -1.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 89.812 -10.983 1.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 90.451 -8.789 -2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 54 90.746 -10.854 -0.709 1.00 0.00 H new ATOM 875 N ALA A 55 85.562 -7.693 -0.210 1.00 0.00 N ATOM 876 CA ALA A 55 84.921 -9.003 -0.115 1.00 0.00 C ATOM 877 C ALA A 55 83.419 -8.877 0.144 1.00 0.00 C ATOM 878 O ALA A 55 82.893 -9.456 1.096 1.00 0.00 O ATOM 879 CB ALA A 55 85.573 -9.830 0.999 1.00 0.00 C ATOM 0 H ALA A 55 86.032 -7.523 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 55 85.057 -9.508 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.088 -10.804 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.632 -9.966 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.464 -9.309 1.950 1.00 0.00 H new ATOM 885 N GLY A 56 82.731 -8.138 -0.725 1.00 0.00 N ATOM 886 CA GLY A 56 81.284 -7.960 -0.606 1.00 0.00 C ATOM 887 C GLY A 56 80.870 -7.378 0.745 1.00 0.00 C ATOM 888 O GLY A 56 79.677 -7.274 1.034 1.00 0.00 O ATOM 0 H GLY A 56 83.151 -7.653 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.936 -7.302 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.791 -8.921 -0.749 1.00 0.00 H new ATOM 892 N LYS A 57 81.845 -7.010 1.574 1.00 0.00 N ATOM 893 CA LYS A 57 81.541 -6.455 2.891 1.00 0.00 C ATOM 894 C LYS A 57 82.268 -5.135 3.116 1.00 0.00 C ATOM 895 O LYS A 57 83.387 -4.938 2.641 1.00 0.00 O ATOM 896 CB LYS A 57 81.948 -7.452 3.982 1.00 0.00 C ATOM 897 CG LYS A 57 81.051 -8.692 3.912 1.00 0.00 C ATOM 898 CD LYS A 57 79.686 -8.379 4.534 1.00 0.00 C ATOM 899 CE LYS A 57 78.762 -9.589 4.377 1.00 0.00 C ATOM 900 NZ LYS A 57 77.346 -9.160 4.554 1.00 0.00 N ATOM 0 H LYS A 57 82.840 -7.085 1.361 1.00 0.00 H new ATOM 0 HA LYS A 57 80.468 -6.270 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 57 82.992 -7.739 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 57 81.864 -6.986 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 57 80.926 -9.004 2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 57 81.520 -9.522 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.804 -8.133 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.246 -7.507 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 57 78.897 -10.037 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.017 -10.352 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 76.718 -9.982 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 77.223 -8.751 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 77.107 -8.447 3.836 1.00 0.00 H new ATOM 914 N GLN A 58 81.621 -4.236 3.854 1.00 0.00 N ATOM 915 CA GLN A 58 82.207 -2.935 4.155 1.00 0.00 C ATOM 916 C GLN A 58 83.244 -3.077 5.265 1.00 0.00 C ATOM 917 O GLN A 58 82.938 -3.570 6.351 1.00 0.00 O ATOM 918 CB GLN A 58 81.114 -1.956 4.593 1.00 0.00 C ATOM 919 CG GLN A 58 80.031 -1.872 3.510 1.00 0.00 C ATOM 920 CD GLN A 58 78.673 -2.247 4.095 1.00 0.00 C ATOM 921 OE1 GLN A 58 78.364 -3.430 4.239 1.00 0.00 O ATOM 922 NE2 GLN A 58 77.840 -1.306 4.443 1.00 0.00 N ATOM 0 H GLN A 58 80.694 -4.385 4.253 1.00 0.00 H new ATOM 0 HA GLN A 58 82.692 -2.550 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.675 -2.284 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.544 -0.970 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.993 -0.862 3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.278 -2.541 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.098 -0.326 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 58 76.931 -1.549 4.835 1.00 0.00 H new ATOM 931 N LEU A 59 84.471 -2.652 4.984 1.00 0.00 N ATOM 932 CA LEU A 59 85.547 -2.747 5.970 1.00 0.00 C ATOM 933 C LEU A 59 85.363 -1.722 7.084 1.00 0.00 C ATOM 934 O LEU A 59 85.064 -0.555 6.824 1.00 0.00 O ATOM 935 CB LEU A 59 86.904 -2.511 5.297 1.00 0.00 C ATOM 936 CG LEU A 59 87.310 -3.744 4.485 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.612 -3.449 3.731 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.523 -4.934 5.427 1.00 0.00 C ATOM 0 H LEU A 59 84.746 -2.242 4.091 1.00 0.00 H new ATOM 0 HA LEU A 59 85.515 -3.748 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.849 -1.639 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.661 -2.298 6.052 1.00 0.00 H new ATOM 0 HG LEU A 59 86.521 -3.985 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.904 -4.325 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.460 -2.604 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.399 -3.208 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 59 87.812 -5.810 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.311 -4.696 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.598 -5.143 5.964 1.00 0.00 H new ATOM 950 N GLU A 60 85.560 -2.165 8.324 1.00 0.00 N ATOM 951 CA GLU A 60 85.432 -1.281 9.477 1.00 0.00 C ATOM 952 C GLU A 60 86.786 -0.651 9.796 1.00 0.00 C ATOM 953 O GLU A 60 87.813 -1.324 9.744 1.00 0.00 O ATOM 954 CB GLU A 60 84.925 -2.071 10.689 1.00 0.00 C ATOM 955 CG GLU A 60 84.141 -1.142 11.622 1.00 0.00 C ATOM 956 CD GLU A 60 82.746 -0.885 11.058 1.00 0.00 C ATOM 957 OE1 GLU A 60 81.875 -1.711 11.282 1.00 0.00 O ATOM 958 OE2 GLU A 60 82.568 0.133 10.409 1.00 0.00 O ATOM 0 H GLU A 60 85.808 -3.127 8.554 1.00 0.00 H new ATOM 0 HA GLU A 60 84.716 -0.493 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 60 84.289 -2.892 10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.765 -2.514 11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 60 84.064 -1.590 12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 60 84.674 -0.198 11.739 1.00 0.00 H new ATOM 965 N ASP A 61 86.780 0.646 10.096 1.00 0.00 N ATOM 966 CA ASP A 61 88.018 1.367 10.396 1.00 0.00 C ATOM 967 C ASP A 61 88.916 0.586 11.361 1.00 0.00 C ATOM 968 O ASP A 61 90.138 0.738 11.339 1.00 0.00 O ATOM 969 CB ASP A 61 87.699 2.740 10.994 1.00 0.00 C ATOM 970 CG ASP A 61 88.942 3.627 10.952 1.00 0.00 C ATOM 971 OD1 ASP A 61 89.253 4.128 9.884 1.00 0.00 O ATOM 972 OD2 ASP A 61 89.567 3.788 11.986 1.00 0.00 O ATOM 0 H ASP A 61 85.937 1.218 10.138 1.00 0.00 H new ATOM 0 HA ASP A 61 88.557 1.489 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.888 3.209 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.356 2.628 12.023 1.00 0.00 H new ATOM 977 N GLY A 62 88.307 -0.244 12.207 1.00 0.00 N ATOM 978 CA GLY A 62 89.067 -1.036 13.176 1.00 0.00 C ATOM 979 C GLY A 62 89.738 -2.243 12.517 1.00 0.00 C ATOM 980 O GLY A 62 90.377 -3.049 13.195 1.00 0.00 O ATOM 0 H GLY A 62 87.298 -0.386 12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.825 -0.408 13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.402 -1.377 13.969 1.00 0.00 H new ATOM 984 N ARG A 63 89.587 -2.364 11.201 1.00 0.00 N ATOM 985 CA ARG A 63 90.179 -3.481 10.468 1.00 0.00 C ATOM 986 C ARG A 63 91.672 -3.252 10.236 1.00 0.00 C ATOM 987 O ARG A 63 92.119 -2.112 10.080 1.00 0.00 O ATOM 988 CB ARG A 63 89.464 -3.658 9.124 1.00 0.00 C ATOM 989 CG ARG A 63 89.901 -4.974 8.470 1.00 0.00 C ATOM 990 CD ARG A 63 90.770 -4.677 7.247 1.00 0.00 C ATOM 991 NE ARG A 63 91.120 -5.916 6.565 1.00 0.00 N ATOM 992 CZ ARG A 63 91.931 -5.915 5.513 1.00 0.00 C ATOM 993 NH1 ARG A 63 91.635 -5.196 4.465 1.00 0.00 N ATOM 994 NH2 ARG A 63 93.022 -6.631 5.529 1.00 0.00 N ATOM 0 H ARG A 63 89.063 -1.707 10.622 1.00 0.00 H new ATOM 0 HA ARG A 63 90.060 -4.385 11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.384 -3.657 9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.695 -2.820 8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 63 90.457 -5.580 9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 63 89.026 -5.553 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 63 90.236 -4.016 6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 63 91.676 -4.154 7.554 1.00 0.00 H new ATOM 0 HE ARG A 63 90.736 -6.799 6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 63 90.782 -4.636 4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 63 92.256 -5.194 3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 63 93.252 -7.192 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 63 93.645 -6.630 4.721 1.00 0.00 H new ATOM 1008 N THR A 64 92.434 -4.347 10.215 1.00 0.00 N ATOM 1009 CA THR A 64 93.881 -4.274 10.004 1.00 0.00 C ATOM 1010 C THR A 64 94.278 -5.003 8.724 1.00 0.00 C ATOM 1011 O THR A 64 93.537 -5.847 8.221 1.00 0.00 O ATOM 1012 CB THR A 64 94.617 -4.904 11.193 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.919 -6.066 11.619 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.695 -3.899 12.345 1.00 0.00 C ATOM 0 H THR A 64 92.074 -5.293 10.341 1.00 0.00 H new ATOM 0 HA THR A 64 94.159 -3.224 9.914 1.00 0.00 H new ATOM 0 HB THR A 64 95.627 -5.178 10.889 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.389 -6.470 12.378 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.219 -4.351 13.187 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.234 -3.011 12.017 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.687 -3.619 12.652 1.00 0.00 H new ATOM 1022 N LEU A 65 95.456 -4.667 8.206 1.00 0.00 N ATOM 1023 CA LEU A 65 95.959 -5.288 6.984 1.00 0.00 C ATOM 1024 C LEU A 65 96.309 -6.754 7.231 1.00 0.00 C ATOM 1025 O LEU A 65 96.019 -7.621 6.405 1.00 0.00 O ATOM 1026 CB LEU A 65 97.207 -4.532 6.497 1.00 0.00 C ATOM 1027 CG LEU A 65 96.819 -3.461 5.468 1.00 0.00 C ATOM 1028 CD1 LEU A 65 98.076 -2.943 4.768 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.871 -4.049 4.416 1.00 0.00 C ATOM 0 H LEU A 65 96.079 -3.969 8.612 1.00 0.00 H new ATOM 0 HA LEU A 65 95.181 -5.240 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.710 -4.066 7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.914 -5.233 6.052 1.00 0.00 H new ATOM 0 HG LEU A 65 96.317 -2.645 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.799 -2.183 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.750 -2.509 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.576 -3.768 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.605 -3.277 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.365 -4.873 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.968 -4.415 4.904 1.00 0.00 H new ATOM 1041 N SER A 66 96.942 -7.014 8.370 1.00 0.00 N ATOM 1042 CA SER A 66 97.347 -8.371 8.729 1.00 0.00 C ATOM 1043 C SER A 66 96.134 -9.244 9.040 1.00 0.00 C ATOM 1044 O SER A 66 96.257 -10.464 9.161 1.00 0.00 O ATOM 1045 CB SER A 66 98.274 -8.331 9.946 1.00 0.00 C ATOM 1046 OG SER A 66 98.725 -9.648 10.236 1.00 0.00 O ATOM 0 H SER A 66 97.186 -6.304 9.061 1.00 0.00 H new ATOM 0 HA SER A 66 97.873 -8.804 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 66 99.124 -7.678 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.747 -7.917 10.806 1.00 0.00 H new ATOM 0 HG SER A 66 98.110 -10.299 9.839 1.00 0.00 H new ATOM 1052 N ASP A 67 94.963 -8.620 9.160 1.00 0.00 N ATOM 1053 CA ASP A 67 93.742 -9.366 9.447 1.00 0.00 C ATOM 1054 C ASP A 67 93.510 -10.415 8.363 1.00 0.00 C ATOM 1055 O ASP A 67 93.483 -11.615 8.640 1.00 0.00 O ATOM 1056 CB ASP A 67 92.542 -8.416 9.514 1.00 0.00 C ATOM 1057 CG ASP A 67 91.298 -9.177 9.963 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.653 -9.772 9.118 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.011 -9.156 11.148 1.00 0.00 O ATOM 0 H ASP A 67 94.836 -7.613 9.064 1.00 0.00 H new ATOM 0 HA ASP A 67 93.852 -9.862 10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.751 -7.602 10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.370 -7.965 8.537 1.00 0.00 H new ATOM 1064 N TYR A 68 93.351 -9.948 7.128 1.00 0.00 N ATOM 1065 CA TYR A 68 93.130 -10.844 5.996 1.00 0.00 C ATOM 1066 C TYR A 68 94.464 -11.320 5.422 1.00 0.00 C ATOM 1067 O TYR A 68 94.493 -12.101 4.469 1.00 0.00 O ATOM 1068 CB TYR A 68 92.332 -10.122 4.906 1.00 0.00 C ATOM 1069 CG TYR A 68 90.878 -10.042 5.311 1.00 0.00 C ATOM 1070 CD1 TYR A 68 90.472 -9.116 6.279 1.00 0.00 C ATOM 1071 CD2 TYR A 68 89.937 -10.893 4.718 1.00 0.00 C ATOM 1072 CE1 TYR A 68 89.127 -9.041 6.655 1.00 0.00 C ATOM 1073 CE2 TYR A 68 88.591 -10.817 5.096 1.00 0.00 C ATOM 1074 CZ TYR A 68 88.186 -9.891 6.064 1.00 0.00 C ATOM 1075 OH TYR A 68 86.860 -9.816 6.436 1.00 0.00 O ATOM 0 H TYR A 68 93.371 -8.957 6.885 1.00 0.00 H new ATOM 0 HA TYR A 68 92.567 -11.709 6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 68 92.733 -9.120 4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.428 -10.653 3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 68 91.198 -8.459 6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 68 90.249 -11.607 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.815 -8.326 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.865 -11.474 4.640 1.00 0.00 H new ATOM 0 HH TYR A 68 86.340 -10.474 5.929 1.00 0.00 H new ATOM 1085 N ASN A 69 95.565 -10.830 5.997 1.00 0.00 N ATOM 1086 CA ASN A 69 96.902 -11.195 5.529 1.00 0.00 C ATOM 1087 C ASN A 69 97.166 -10.558 4.164 1.00 0.00 C ATOM 1088 O ASN A 69 98.001 -11.030 3.392 1.00 0.00 O ATOM 1089 CB ASN A 69 97.040 -12.720 5.436 1.00 0.00 C ATOM 1090 CG ASN A 69 98.487 -13.133 5.690 1.00 0.00 C ATOM 1091 OD1 ASN A 69 99.319 -13.074 4.783 1.00 0.00 O ATOM 1092 ND2 ASN A 69 98.840 -13.551 6.875 1.00 0.00 N ATOM 0 H ASN A 69 95.556 -10.182 6.785 1.00 0.00 H new ATOM 0 HA ASN A 69 97.637 -10.825 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.384 -13.197 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 69 96.724 -13.062 4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.805 -13.829 7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.150 -13.599 7.625 1.00 0.00 H new ATOM 1099 N ILE A 70 96.437 -9.478 3.889 1.00 0.00 N ATOM 1100 CA ILE A 70 96.574 -8.759 2.624 1.00 0.00 C ATOM 1101 C ILE A 70 98.034 -8.381 2.377 1.00 0.00 C ATOM 1102 O ILE A 70 98.713 -7.865 3.266 1.00 0.00 O ATOM 1103 CB ILE A 70 95.684 -7.507 2.638 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.288 -7.881 2.124 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.285 -6.420 1.737 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.327 -6.706 2.315 1.00 0.00 C ATOM 0 H ILE A 70 95.745 -9.082 4.525 1.00 0.00 H new ATOM 0 HA ILE A 70 96.252 -9.410 1.811 1.00 0.00 H new ATOM 0 HB ILE A 70 95.617 -7.124 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.340 -8.151 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 70 93.917 -8.755 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.645 -5.538 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.278 -6.155 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.359 -6.794 0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.338 -6.981 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.264 -6.456 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.693 -5.842 1.760 1.00 0.00 H new ATOM 1118 N GLN A 71 98.508 -8.656 1.163 1.00 0.00 N ATOM 1119 CA GLN A 71 99.889 -8.359 0.795 1.00 0.00 C ATOM 1120 C GLN A 71 100.015 -6.938 0.242 1.00 0.00 C ATOM 1121 O GLN A 71 99.296 -6.032 0.668 1.00 0.00 O ATOM 1122 CB GLN A 71 100.371 -9.371 -0.250 1.00 0.00 C ATOM 1123 CG GLN A 71 100.171 -10.793 0.282 1.00 0.00 C ATOM 1124 CD GLN A 71 100.559 -11.811 -0.785 1.00 0.00 C ATOM 1125 OE1 GLN A 71 101.745 -12.032 -1.034 1.00 0.00 O ATOM 1126 NE2 GLN A 71 99.625 -12.449 -1.435 1.00 0.00 N ATOM 0 H GLN A 71 97.956 -9.083 0.419 1.00 0.00 H new ATOM 0 HA GLN A 71 100.509 -8.432 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.819 -9.239 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.424 -9.201 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 71 100.776 -10.943 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 71 99.131 -10.938 0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 71 98.643 -12.265 -1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 71 99.877 -13.132 -2.150 1.00 0.00 H new ATOM 1135 N ARG A 72 100.935 -6.752 -0.704 1.00 0.00 N ATOM 1136 CA ARG A 72 101.160 -5.441 -1.311 1.00 0.00 C ATOM 1137 C ARG A 72 100.467 -5.349 -2.668 1.00 0.00 C ATOM 1138 O ARG A 72 99.920 -4.307 -3.025 1.00 0.00 O ATOM 1139 CB ARG A 72 102.664 -5.193 -1.487 1.00 0.00 C ATOM 1140 CG ARG A 72 103.355 -6.486 -1.938 1.00 0.00 C ATOM 1141 CD ARG A 72 104.770 -6.169 -2.426 1.00 0.00 C ATOM 1142 NE ARG A 72 104.734 -5.676 -3.799 1.00 0.00 N ATOM 1143 CZ ARG A 72 105.390 -4.576 -4.153 1.00 0.00 C ATOM 1144 NH1 ARG A 72 104.880 -3.404 -3.899 1.00 0.00 N ATOM 1145 NH2 ARG A 72 106.542 -4.670 -4.758 1.00 0.00 N ATOM 0 H ARG A 72 101.536 -7.492 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 72 100.742 -4.683 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.828 -4.406 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.097 -4.847 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.395 -7.196 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 72 102.781 -6.957 -2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.227 -5.423 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.390 -7.064 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 72 104.195 -6.185 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 72 103.978 -3.331 -3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.383 -2.559 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.939 -5.588 -4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.046 -3.826 -5.030 1.00 0.00 H new ATOM 1159 N GLU A 73 100.497 -6.445 -3.421 1.00 0.00 N ATOM 1160 CA GLU A 73 99.869 -6.475 -4.740 1.00 0.00 C ATOM 1161 C GLU A 73 98.351 -6.589 -4.614 1.00 0.00 C ATOM 1162 O GLU A 73 97.648 -6.768 -5.610 1.00 0.00 O ATOM 1163 CB GLU A 73 100.410 -7.656 -5.552 1.00 0.00 C ATOM 1164 CG GLU A 73 101.934 -7.545 -5.675 1.00 0.00 C ATOM 1165 CD GLU A 73 102.308 -6.276 -6.437 1.00 0.00 C ATOM 1166 OE1 GLU A 73 102.117 -6.252 -7.641 1.00 0.00 O ATOM 1167 OE2 GLU A 73 102.782 -5.345 -5.804 1.00 0.00 O ATOM 0 H GLU A 73 100.946 -7.318 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 73 100.107 -5.544 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.142 -8.595 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 73 99.956 -7.667 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.386 -7.530 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.329 -8.419 -6.192 1.00 0.00 H new ATOM 1174 N SER A 74 97.856 -6.483 -3.383 1.00 0.00 N ATOM 1175 CA SER A 74 96.422 -6.574 -3.128 1.00 0.00 C ATOM 1176 C SER A 74 95.684 -5.386 -3.739 1.00 0.00 C ATOM 1177 O SER A 74 96.157 -4.249 -3.675 1.00 0.00 O ATOM 1178 CB SER A 74 96.166 -6.609 -1.622 1.00 0.00 C ATOM 1179 OG SER A 74 96.715 -5.441 -1.025 1.00 0.00 O ATOM 0 H SER A 74 98.425 -6.335 -2.550 1.00 0.00 H new ATOM 0 HA SER A 74 96.051 -7.490 -3.588 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.095 -6.663 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.616 -7.501 -1.186 1.00 0.00 H new ATOM 0 HG SER A 74 97.564 -5.664 -0.590 1.00 0.00 H new ATOM 1185 N THR A 75 94.519 -5.661 -4.320 1.00 0.00 N ATOM 1186 CA THR A 75 93.708 -4.616 -4.933 1.00 0.00 C ATOM 1187 C THR A 75 92.556 -4.235 -4.007 1.00 0.00 C ATOM 1188 O THR A 75 91.563 -4.957 -3.903 1.00 0.00 O ATOM 1189 CB THR A 75 93.158 -5.097 -6.281 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.227 -5.595 -7.074 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.481 -3.932 -7.011 1.00 0.00 C ATOM 0 H THR A 75 94.117 -6.597 -4.379 1.00 0.00 H new ATOM 0 HA THR A 75 94.334 -3.739 -5.099 1.00 0.00 H new ATOM 0 HB THR A 75 92.427 -5.887 -6.111 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.878 -5.905 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.092 -4.279 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.661 -3.549 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.208 -3.138 -7.181 1.00 0.00 H new ATOM 1199 N LEU A 76 92.701 -3.097 -3.336 1.00 0.00 N ATOM 1200 CA LEU A 76 91.675 -2.618 -2.417 1.00 0.00 C ATOM 1201 C LEU A 76 90.681 -1.726 -3.148 1.00 0.00 C ATOM 1202 O LEU A 76 90.992 -1.165 -4.199 1.00 0.00 O ATOM 1203 CB LEU A 76 92.320 -1.825 -1.271 1.00 0.00 C ATOM 1204 CG LEU A 76 92.543 -2.737 -0.056 1.00 0.00 C ATOM 1205 CD1 LEU A 76 91.192 -3.217 0.490 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.390 -3.947 -0.468 1.00 0.00 C ATOM 0 H LEU A 76 93.518 -2.490 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 76 91.149 -3.482 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.271 -1.405 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 76 91.680 -0.987 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 76 93.065 -2.177 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 76 91.357 -3.864 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.595 -2.356 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 76 90.663 -3.773 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.547 -4.593 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 76 92.872 -4.505 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 76 94.354 -3.605 -0.845 1.00 0.00 H new ATOM 1218 N HIS A 77 89.488 -1.597 -2.579 1.00 0.00 N ATOM 1219 CA HIS A 77 88.452 -0.762 -3.174 1.00 0.00 C ATOM 1220 C HIS A 77 88.038 0.327 -2.192 1.00 0.00 C ATOM 1221 O HIS A 77 87.511 0.037 -1.117 1.00 0.00 O ATOM 1222 CB HIS A 77 87.238 -1.619 -3.554 1.00 0.00 C ATOM 1223 CG HIS A 77 87.024 -1.544 -5.042 1.00 0.00 C ATOM 1224 ND1 HIS A 77 87.948 -2.043 -5.946 1.00 0.00 N ATOM 1225 CD2 HIS A 77 86.004 -1.022 -5.798 1.00 0.00 C ATOM 1226 CE1 HIS A 77 87.472 -1.812 -7.183 1.00 0.00 C ATOM 1227 NE2 HIS A 77 86.289 -1.192 -7.150 1.00 0.00 N ATOM 0 H HIS A 77 89.215 -2.057 -1.711 1.00 0.00 H new ATOM 0 HA HIS A 77 88.847 -0.295 -4.076 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.399 -2.653 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.350 -1.266 -3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 77 85.116 -0.551 -5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 77 87.984 -2.093 -8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 77 85.718 -0.905 -7.945 1.00 0.00 H new ATOM 1235 N LEU A 78 88.289 1.581 -2.563 1.00 0.00 N ATOM 1236 CA LEU A 78 87.949 2.708 -1.700 1.00 0.00 C ATOM 1237 C LEU A 78 86.854 3.565 -2.333 1.00 0.00 C ATOM 1238 O LEU A 78 87.137 4.510 -3.070 1.00 0.00 O ATOM 1239 CB LEU A 78 89.206 3.558 -1.468 1.00 0.00 C ATOM 1240 CG LEU A 78 88.944 4.606 -0.378 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.120 4.634 0.603 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.789 5.986 -1.023 1.00 0.00 C ATOM 0 H LEU A 78 88.723 1.840 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 78 87.576 2.327 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.038 2.918 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.496 4.052 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 78 88.031 4.348 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.931 5.379 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.232 3.653 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 78 91.034 4.890 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.603 6.731 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.703 6.241 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.951 5.970 -1.720 1.00 0.00 H new ATOM 1254 N VAL A 79 85.600 3.227 -2.038 1.00 0.00 N ATOM 1255 CA VAL A 79 84.470 3.974 -2.585 1.00 0.00 C ATOM 1256 C VAL A 79 84.255 5.262 -1.795 1.00 0.00 C ATOM 1257 O VAL A 79 84.264 5.257 -0.564 1.00 0.00 O ATOM 1258 CB VAL A 79 83.195 3.118 -2.563 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.424 1.833 -3.365 1.00 0.00 C ATOM 1260 CG2 VAL A 79 82.827 2.755 -1.121 1.00 0.00 C ATOM 0 H VAL A 79 85.343 2.449 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 79 84.696 4.231 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 79 82.380 3.689 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.518 1.227 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.672 2.087 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 79 84.246 1.270 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 79 81.922 2.148 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 79 83.643 2.192 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 79 82.654 3.667 -0.549 1.00 0.00 H new ATOM 1270 N LEU A 80 84.080 6.368 -2.515 1.00 0.00 N ATOM 1271 CA LEU A 80 83.882 7.669 -1.881 1.00 0.00 C ATOM 1272 C LEU A 80 82.398 7.992 -1.732 1.00 0.00 C ATOM 1273 O LEU A 80 81.678 8.117 -2.723 1.00 0.00 O ATOM 1274 CB LEU A 80 84.555 8.761 -2.718 1.00 0.00 C ATOM 1275 CG LEU A 80 86.041 8.435 -2.891 1.00 0.00 C ATOM 1276 CD1 LEU A 80 86.662 9.394 -3.910 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.756 8.585 -1.543 1.00 0.00 C ATOM 0 H LEU A 80 84.071 6.389 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 80 84.329 7.631 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.073 8.835 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.439 9.729 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 80 86.149 7.411 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.720 9.160 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.154 9.286 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.555 10.420 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.814 8.353 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.648 9.609 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.315 7.900 -0.819 1.00 0.00 H new ATOM 1289 N ARG A 81 81.954 8.138 -0.486 1.00 0.00 N ATOM 1290 CA ARG A 81 80.558 8.462 -0.210 1.00 0.00 C ATOM 1291 C ARG A 81 80.336 9.965 -0.360 1.00 0.00 C ATOM 1292 O ARG A 81 81.050 10.769 0.241 1.00 0.00 O ATOM 1293 CB ARG A 81 80.191 8.006 1.212 1.00 0.00 C ATOM 1294 CG ARG A 81 79.190 8.981 1.847 1.00 0.00 C ATOM 1295 CD ARG A 81 78.597 8.360 3.114 1.00 0.00 C ATOM 1296 NE ARG A 81 77.525 7.431 2.769 1.00 0.00 N ATOM 1297 CZ ARG A 81 76.620 7.059 3.669 1.00 0.00 C ATOM 1298 NH1 ARG A 81 75.577 7.809 3.896 1.00 0.00 N ATOM 1299 NH2 ARG A 81 76.777 5.942 4.325 1.00 0.00 N ATOM 0 H ARG A 81 82.538 8.038 0.344 1.00 0.00 H new ATOM 0 HA ARG A 81 79.918 7.941 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 81 79.762 7.005 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.090 7.948 1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.687 9.921 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 81 78.395 9.214 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 81 79.376 7.837 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 81 78.212 9.144 3.766 1.00 0.00 H new ATOM 0 HE ARG A 81 77.469 7.061 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 81 75.455 8.682 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 81 74.883 7.522 4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 81 77.593 5.356 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 81 76.084 5.655 5.016 1.00 0.00 H new ATOM 1313 N LEU A 82 79.344 10.338 -1.164 1.00 0.00 N ATOM 1314 CA LEU A 82 79.037 11.749 -1.384 1.00 0.00 C ATOM 1315 C LEU A 82 78.064 12.248 -0.320 1.00 0.00 C ATOM 1316 O LEU A 82 76.998 11.665 -0.118 1.00 0.00 O ATOM 1317 CB LEU A 82 78.430 11.941 -2.781 1.00 0.00 C ATOM 1318 CG LEU A 82 78.989 13.211 -3.441 1.00 0.00 C ATOM 1319 CD1 LEU A 82 78.691 14.431 -2.564 1.00 0.00 C ATOM 1320 CD2 LEU A 82 80.505 13.074 -3.632 1.00 0.00 C ATOM 0 H LEU A 82 78.743 9.689 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 82 79.960 12.325 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 82 78.652 11.073 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.345 12.011 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 82 78.513 13.343 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 82 79.091 15.327 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 82 77.613 14.536 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 82 79.157 14.300 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 82 80.896 13.977 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 82 80.983 12.932 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 82 80.715 12.215 -4.269 1.00 0.00 H new ATOM 1332 N ARG A 83 78.445 13.326 0.361 1.00 0.00 N ATOM 1333 CA ARG A 83 77.606 13.898 1.412 1.00 0.00 C ATOM 1334 C ARG A 83 76.513 14.785 0.815 1.00 0.00 C ATOM 1335 O ARG A 83 76.094 15.770 1.425 1.00 0.00 O ATOM 1336 CB ARG A 83 78.475 14.717 2.373 1.00 0.00 C ATOM 1337 CG ARG A 83 77.896 14.642 3.792 1.00 0.00 C ATOM 1338 CD ARG A 83 79.032 14.711 4.815 1.00 0.00 C ATOM 1339 NE ARG A 83 79.763 13.446 4.849 1.00 0.00 N ATOM 1340 CZ ARG A 83 81.047 13.400 5.196 1.00 0.00 C ATOM 1341 NH1 ARG A 83 81.423 13.839 6.365 1.00 0.00 N ATOM 1342 NH2 ARG A 83 81.929 12.914 4.367 1.00 0.00 N ATOM 0 H ARG A 83 79.324 13.819 0.206 1.00 0.00 H new ATOM 0 HA ARG A 83 77.126 13.084 1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 83 79.497 14.337 2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 83 78.519 15.755 2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 83 77.197 15.462 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 83 77.335 13.716 3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 83 79.711 15.524 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 83 78.628 14.932 5.803 1.00 0.00 H new ATOM 0 HE ARG A 83 79.280 12.582 4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 83 80.733 14.218 7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 83 82.407 13.804 6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 83 81.635 12.569 3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 83 82.913 12.879 4.632 1.00 0.00 H new ATOM 1356 N GLY A 84 76.051 14.426 -0.381 1.00 0.00 N ATOM 1357 CA GLY A 84 75.006 15.190 -1.054 1.00 0.00 C ATOM 1358 C GLY A 84 74.405 14.392 -2.205 1.00 0.00 C ATOM 1359 O GLY A 84 73.243 14.586 -2.567 1.00 0.00 O ATOM 0 H GLY A 84 76.383 13.614 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 84 74.225 15.452 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 84 75.419 16.125 -1.431 1.00 0.00 H new ATOM 1363 N GLY A 85 75.203 13.494 -2.776 1.00 0.00 N ATOM 1364 CA GLY A 85 74.745 12.667 -3.887 1.00 0.00 C ATOM 1365 C GLY A 85 74.520 13.507 -5.140 1.00 0.00 C ATOM 1366 O GLY A 85 73.823 13.085 -6.065 1.00 0.00 O ATOM 0 H GLY A 85 76.166 13.321 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 85 75.481 11.890 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 85 73.818 12.163 -3.612 1.00 0.00 H new ATOM 1370 N SER A 86 75.116 14.698 -5.163 1.00 0.00 N ATOM 1371 CA SER A 86 74.978 15.595 -6.306 1.00 0.00 C ATOM 1372 C SER A 86 75.728 15.046 -7.518 1.00 0.00 C ATOM 1373 O SER A 86 75.569 15.541 -8.635 1.00 0.00 O ATOM 1374 CB SER A 86 75.523 16.979 -5.948 1.00 0.00 C ATOM 1375 OG SER A 86 76.881 16.859 -5.547 1.00 0.00 O ATOM 0 H SER A 86 75.696 15.062 -4.407 1.00 0.00 H new ATOM 0 HA SER A 86 73.920 15.673 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 86 75.443 17.647 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 86 74.932 17.419 -5.145 1.00 0.00 H new ATOM 0 HG SER A 86 77.234 17.744 -5.318 1.00 0.00 H new ATOM 1381 N MET A 87 76.545 14.019 -7.288 1.00 0.00 N ATOM 1382 CA MET A 87 77.316 13.404 -8.365 1.00 0.00 C ATOM 1383 C MET A 87 76.386 12.740 -9.377 1.00 0.00 C ATOM 1384 O MET A 87 76.412 13.067 -10.564 1.00 0.00 O ATOM 1385 CB MET A 87 78.276 12.360 -7.789 1.00 0.00 C ATOM 1386 CG MET A 87 79.492 13.059 -7.174 1.00 0.00 C ATOM 1387 SD MET A 87 80.576 13.658 -8.494 1.00 0.00 S ATOM 1388 CE MET A 87 81.424 12.094 -8.824 1.00 0.00 C ATOM 0 H MET A 87 76.689 13.598 -6.370 1.00 0.00 H new ATOM 0 HA MET A 87 77.887 14.183 -8.870 1.00 0.00 H new ATOM 0 HB2 MET A 87 77.767 11.762 -7.033 1.00 0.00 H new ATOM 0 HB3 MET A 87 78.597 11.675 -8.574 1.00 0.00 H new ATOM 0 HG2 MET A 87 79.169 13.891 -6.549 1.00 0.00 H new ATOM 0 HG3 MET A 87 80.034 12.368 -6.529 1.00 0.00 H new ATOM 0 HE1 MET A 87 82.442 12.144 -8.438 1.00 0.00 H new ATOM 0 HE2 MET A 87 80.889 11.280 -8.335 1.00 0.00 H new ATOM 0 HE3 MET A 87 81.452 11.915 -9.899 1.00 0.00 H new ATOM 1398 N GLY A 88 75.563 11.810 -8.897 1.00 0.00 N ATOM 1399 CA GLY A 88 74.622 11.103 -9.764 1.00 0.00 C ATOM 1400 C GLY A 88 75.349 10.402 -10.907 1.00 0.00 C ATOM 1401 O GLY A 88 75.385 10.904 -12.031 1.00 0.00 O ATOM 0 H GLY A 88 75.528 11.529 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 88 74.064 10.371 -9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 88 73.896 11.808 -10.169 1.00 0.00 H new ATOM 1405 N GLY A 89 75.927 9.242 -10.612 1.00 0.00 N ATOM 1406 CA GLY A 89 76.652 8.478 -11.621 1.00 0.00 C ATOM 1407 C GLY A 89 77.002 7.086 -11.106 1.00 0.00 C ATOM 1408 O GLY A 89 76.182 6.428 -10.465 1.00 0.00 O ATOM 0 H GLY A 89 75.908 8.812 -9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 89 76.046 8.394 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 89 77.564 9.007 -11.897 1.00 0.00 H new ATOM 1412 N ALA A 90 78.226 6.649 -11.391 1.00 0.00 N ATOM 1413 CA ALA A 90 78.686 5.332 -10.955 1.00 0.00 C ATOM 1414 C ALA A 90 78.799 5.272 -9.434 1.00 0.00 C ATOM 1415 O ALA A 90 78.998 4.203 -8.860 1.00 0.00 O ATOM 1416 CB ALA A 90 80.045 5.018 -11.587 1.00 0.00 C ATOM 0 H ALA A 90 78.915 7.184 -11.919 1.00 0.00 H new ATOM 0 HA ALA A 90 77.955 4.590 -11.277 1.00 0.00 H new ATOM 0 HB1 ALA A 90 80.381 4.035 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 90 79.951 5.024 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 90 80.771 5.771 -11.281 1.00 0.00 H new ATOM 1422 N ALA A 91 78.676 6.427 -8.787 1.00 0.00 N ATOM 1423 CA ALA A 91 78.764 6.498 -7.332 1.00 0.00 C ATOM 1424 C ALA A 91 78.030 7.733 -6.825 1.00 0.00 C ATOM 1425 O ALA A 91 78.509 8.858 -6.978 1.00 0.00 O ATOM 1426 CB ALA A 91 80.231 6.553 -6.898 1.00 0.00 C ATOM 0 H ALA A 91 78.516 7.324 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 91 78.300 5.608 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.287 6.606 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.747 5.658 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.705 7.435 -7.329 1.00 0.00 H new ATOM 1432 N ASP A 92 76.864 7.516 -6.227 1.00 0.00 N ATOM 1433 CA ASP A 92 76.063 8.620 -5.704 1.00 0.00 C ATOM 1434 C ASP A 92 76.371 8.844 -4.230 1.00 0.00 C ATOM 1435 O ASP A 92 76.728 9.949 -3.828 1.00 0.00 O ATOM 1436 CB ASP A 92 74.571 8.320 -5.882 1.00 0.00 C ATOM 1437 CG ASP A 92 74.259 7.976 -7.342 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.105 8.214 -8.189 1.00 0.00 O ATOM 1439 OD2 ASP A 92 73.173 7.480 -7.590 1.00 0.00 O ATOM 0 H ASP A 92 76.453 6.592 -6.092 1.00 0.00 H new ATOM 0 HA ASP A 92 76.314 9.524 -6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.282 7.490 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 92 73.982 9.183 -5.572 1.00 0.00 H new ATOM 1444 N GLU A 93 76.234 7.788 -3.432 1.00 0.00 N ATOM 1445 CA GLU A 93 76.506 7.878 -2.000 1.00 0.00 C ATOM 1446 C GLU A 93 76.296 6.520 -1.338 1.00 0.00 C ATOM 1447 O GLU A 93 77.112 6.091 -0.522 1.00 0.00 O ATOM 1448 CB GLU A 93 75.594 8.930 -1.352 1.00 0.00 C ATOM 1449 CG GLU A 93 75.652 8.811 0.176 1.00 0.00 C ATOM 1450 CD GLU A 93 74.519 7.920 0.680 1.00 0.00 C ATOM 1451 OE1 GLU A 93 73.374 8.319 0.551 1.00 0.00 O ATOM 1452 OE2 GLU A 93 74.814 6.851 1.189 1.00 0.00 O ATOM 0 H GLU A 93 75.938 6.865 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 93 77.544 8.180 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 93 75.904 9.929 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 93 74.569 8.795 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 93 76.613 8.396 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 93 75.575 9.800 0.628 1.00 0.00 H new ATOM 1459 N GLU A 94 75.198 5.851 -1.688 1.00 0.00 N ATOM 1460 CA GLU A 94 74.894 4.539 -1.122 1.00 0.00 C ATOM 1461 C GLU A 94 75.109 3.449 -2.164 1.00 0.00 C ATOM 1462 O GLU A 94 75.733 2.424 -1.885 1.00 0.00 O ATOM 1463 CB GLU A 94 73.436 4.494 -0.640 1.00 0.00 C ATOM 1464 CG GLU A 94 73.170 3.172 0.096 1.00 0.00 C ATOM 1465 CD GLU A 94 72.473 2.174 -0.832 1.00 0.00 C ATOM 1466 OE1 GLU A 94 73.151 1.577 -1.652 1.00 0.00 O ATOM 1467 OE2 GLU A 94 71.270 2.018 -0.705 1.00 0.00 O ATOM 0 H GLU A 94 74.508 6.194 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 94 75.562 4.368 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.237 5.336 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 94 72.760 4.590 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 94 74.110 2.751 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.550 3.356 0.974 1.00 0.00 H new ATOM 1474 N GLU A 95 74.578 3.676 -3.364 1.00 0.00 N ATOM 1475 CA GLU A 95 74.699 2.705 -4.450 1.00 0.00 C ATOM 1476 C GLU A 95 76.162 2.373 -4.726 1.00 0.00 C ATOM 1477 O GLU A 95 76.481 1.298 -5.227 1.00 0.00 O ATOM 1478 CB GLU A 95 74.043 3.257 -5.720 1.00 0.00 C ATOM 1479 CG GLU A 95 74.542 4.684 -5.991 1.00 0.00 C ATOM 1480 CD GLU A 95 74.784 4.886 -7.486 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.849 4.706 -8.248 1.00 0.00 O ATOM 1482 OE2 GLU A 95 75.902 5.221 -7.845 1.00 0.00 O ATOM 0 H GLU A 95 74.061 4.521 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 95 74.190 1.790 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.276 2.614 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.959 3.257 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 95 73.809 5.407 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.464 4.865 -5.439 1.00 0.00 H new ATOM 1489 N LEU A 96 77.046 3.298 -4.381 1.00 0.00 N ATOM 1490 CA LEU A 96 78.475 3.095 -4.583 1.00 0.00 C ATOM 1491 C LEU A 96 78.952 1.843 -3.837 1.00 0.00 C ATOM 1492 O LEU A 96 80.027 1.313 -4.121 1.00 0.00 O ATOM 1493 CB LEU A 96 79.238 4.345 -4.110 1.00 0.00 C ATOM 1494 CG LEU A 96 79.763 4.164 -2.679 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.610 5.378 -2.296 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.589 4.044 -1.703 1.00 0.00 C ATOM 0 H LEU A 96 76.801 4.195 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 96 78.673 2.941 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.071 4.543 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.581 5.214 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 96 80.366 3.257 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.985 5.254 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.450 5.467 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.999 6.279 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.970 3.916 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.982 4.948 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.978 3.182 -1.973 1.00 0.00 H new ATOM 1508 N ILE A 97 78.141 1.377 -2.889 1.00 0.00 N ATOM 1509 CA ILE A 97 78.480 0.188 -2.113 1.00 0.00 C ATOM 1510 C ILE A 97 77.815 -1.050 -2.711 1.00 0.00 C ATOM 1511 O ILE A 97 78.478 -2.061 -2.948 1.00 0.00 O ATOM 1512 CB ILE A 97 78.048 0.376 -0.648 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.193 1.034 0.135 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.719 -0.980 -0.008 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.620 1.951 1.219 1.00 0.00 C ATOM 0 H ILE A 97 77.248 1.803 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 97 79.560 0.044 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 97 77.160 1.007 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.822 0.269 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.826 1.607 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.415 -0.829 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 97 76.907 -1.455 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.601 -1.620 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.437 2.415 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.009 2.725 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.006 1.366 1.903 1.00 0.00 H new ATOM 1527 N ARG A 98 76.506 -0.969 -2.947 1.00 0.00 N ATOM 1528 CA ARG A 98 75.774 -2.100 -3.510 1.00 0.00 C ATOM 1529 C ARG A 98 76.412 -2.559 -4.819 1.00 0.00 C ATOM 1530 O ARG A 98 76.579 -3.760 -5.050 1.00 0.00 O ATOM 1531 CB ARG A 98 74.298 -1.726 -3.734 1.00 0.00 C ATOM 1532 CG ARG A 98 74.140 -0.909 -5.020 1.00 0.00 C ATOM 1533 CD ARG A 98 72.744 -0.283 -5.069 1.00 0.00 C ATOM 1534 NE ARG A 98 71.732 -1.314 -5.278 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.512 -1.005 -5.711 1.00 0.00 C ATOM 1536 NH1 ARG A 98 69.836 -0.046 -5.137 1.00 0.00 N ATOM 1537 NH2 ARG A 98 69.989 -1.664 -6.707 1.00 0.00 N ATOM 0 H ARG A 98 75.938 -0.143 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 98 75.820 -2.925 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.693 -2.631 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 98 73.929 -1.152 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.900 -0.129 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.292 -1.549 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.544 0.249 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.696 0.452 -5.873 1.00 0.00 H new ATOM 0 HE ARG A 98 71.964 -2.289 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 98 70.243 0.468 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 98 68.901 0.189 -5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 98 70.515 -2.415 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.054 -1.428 -7.040 1.00 0.00 H new ATOM 1551 N LYS A 99 76.782 -1.603 -5.670 1.00 0.00 N ATOM 1552 CA LYS A 99 77.410 -1.944 -6.940 1.00 0.00 C ATOM 1553 C LYS A 99 78.791 -2.526 -6.696 1.00 0.00 C ATOM 1554 O LYS A 99 78.995 -3.719 -6.860 1.00 0.00 O ATOM 1555 CB LYS A 99 77.563 -0.700 -7.819 1.00 0.00 C ATOM 1556 CG LYS A 99 76.206 -0.041 -8.057 1.00 0.00 C ATOM 1557 CD LYS A 99 76.336 0.975 -9.194 1.00 0.00 C ATOM 1558 CE LYS A 99 77.334 2.072 -8.817 1.00 0.00 C ATOM 1559 NZ LYS A 99 76.981 2.638 -7.485 1.00 0.00 N ATOM 0 H LYS A 99 76.660 -0.604 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 99 76.774 -2.673 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 99 78.239 0.009 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 99 78.012 -0.975 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.461 -0.795 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 99 75.863 0.453 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.665 0.472 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 99 75.363 1.417 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.345 1.665 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.325 2.859 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 77.434 3.567 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 75.949 2.746 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 77.313 1.997 -6.736 1.00 0.00 H new ATOM 1573 N ALA A 100 79.738 -1.660 -6.329 1.00 0.00 N ATOM 1574 CA ALA A 100 81.126 -2.064 -6.090 1.00 0.00 C ATOM 1575 C ALA A 100 81.240 -3.471 -5.495 1.00 0.00 C ATOM 1576 O ALA A 100 82.230 -4.165 -5.726 1.00 0.00 O ATOM 1577 CB ALA A 100 81.791 -1.061 -5.144 1.00 0.00 C ATOM 0 H ALA A 100 79.566 -0.664 -6.190 1.00 0.00 H new ATOM 0 HA ALA A 100 81.629 -2.078 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.824 -1.360 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.773 -0.069 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.250 -1.039 -4.198 1.00 0.00 H new ATOM 1583 N ILE A 101 80.226 -3.887 -4.745 1.00 0.00 N ATOM 1584 CA ILE A 101 80.226 -5.215 -4.134 1.00 0.00 C ATOM 1585 C ILE A 101 79.912 -6.283 -5.183 1.00 0.00 C ATOM 1586 O ILE A 101 80.668 -7.236 -5.363 1.00 0.00 O ATOM 1587 CB ILE A 101 79.181 -5.276 -3.014 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.753 -4.631 -1.745 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.813 -6.739 -2.731 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.636 -4.437 -0.716 1.00 0.00 C ATOM 0 H ILE A 101 79.396 -3.329 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 101 81.215 -5.405 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 101 78.287 -4.735 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.539 -5.261 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.208 -3.671 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 101 78.070 -6.780 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.403 -7.192 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.705 -7.286 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.046 -3.979 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.865 -3.790 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.201 -5.404 -0.465 1.00 0.00 H new ATOM 1602 N GLU A 102 78.788 -6.105 -5.862 1.00 0.00 N ATOM 1603 CA GLU A 102 78.345 -7.034 -6.894 1.00 0.00 C ATOM 1604 C GLU A 102 79.029 -6.711 -8.218 1.00 0.00 C ATOM 1605 O GLU A 102 78.916 -7.452 -9.193 1.00 0.00 O ATOM 1606 CB GLU A 102 76.828 -6.905 -7.051 1.00 0.00 C ATOM 1607 CG GLU A 102 76.281 -8.044 -7.913 1.00 0.00 C ATOM 1608 CD GLU A 102 76.317 -9.360 -7.137 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.456 -9.554 -6.295 1.00 0.00 O ATOM 1610 OE2 GLU A 102 77.205 -10.156 -7.399 1.00 0.00 O ATOM 0 H GLU A 102 78.159 -5.316 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 102 78.605 -8.053 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.352 -6.922 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.584 -5.946 -7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.258 -7.821 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.871 -8.135 -8.825 1.00 0.00 H new ATOM 1617 N LEU A 103 79.697 -5.570 -8.243 1.00 0.00 N ATOM 1618 CA LEU A 103 80.366 -5.093 -9.440 1.00 0.00 C ATOM 1619 C LEU A 103 81.834 -5.528 -9.499 1.00 0.00 C ATOM 1620 O LEU A 103 82.204 -6.362 -10.326 1.00 0.00 O ATOM 1621 CB LEU A 103 80.274 -3.562 -9.456 1.00 0.00 C ATOM 1622 CG LEU A 103 80.980 -3.006 -10.685 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.269 -3.499 -11.950 1.00 0.00 C ATOM 1624 CD2 LEU A 103 80.945 -1.475 -10.641 1.00 0.00 C ATOM 0 H LEU A 103 79.790 -4.951 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 103 79.875 -5.526 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 103 79.229 -3.253 -9.457 1.00 0.00 H new ATOM 0 HB3 LEU A 103 80.726 -3.154 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 103 82.015 -3.346 -10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 103 80.774 -3.101 -12.830 1.00 0.00 H new ATOM 0 HD12 LEU A 103 80.293 -4.588 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 103 79.233 -3.159 -11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.450 -1.074 -11.520 1.00 0.00 H new ATOM 0 HD22 LEU A 103 79.909 -1.135 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 103 81.451 -1.125 -9.741 1.00 0.00 H new ATOM 1636 N SER A 104 82.670 -4.924 -8.657 1.00 0.00 N ATOM 1637 CA SER A 104 84.103 -5.224 -8.664 1.00 0.00 C ATOM 1638 C SER A 104 84.503 -6.245 -7.602 1.00 0.00 C ATOM 1639 O SER A 104 85.567 -6.857 -7.706 1.00 0.00 O ATOM 1640 CB SER A 104 84.889 -3.933 -8.443 1.00 0.00 C ATOM 1641 OG SER A 104 84.814 -3.131 -9.614 1.00 0.00 O ATOM 0 H SER A 104 82.385 -4.230 -7.966 1.00 0.00 H new ATOM 0 HA SER A 104 84.335 -5.662 -9.635 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.485 -3.389 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 104 85.929 -4.162 -8.211 1.00 0.00 H new ATOM 0 HG SER A 104 85.191 -2.246 -9.429 1.00 0.00 H new ATOM 1647 N LEU A 105 83.672 -6.431 -6.583 1.00 0.00 N ATOM 1648 CA LEU A 105 84.004 -7.387 -5.529 1.00 0.00 C ATOM 1649 C LEU A 105 83.395 -8.758 -5.806 1.00 0.00 C ATOM 1650 O LEU A 105 83.879 -9.767 -5.295 1.00 0.00 O ATOM 1651 CB LEU A 105 83.546 -6.868 -4.160 1.00 0.00 C ATOM 1652 CG LEU A 105 84.749 -6.785 -3.202 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.617 -8.050 -3.320 1.00 0.00 C ATOM 1654 CD2 LEU A 105 85.591 -5.553 -3.552 1.00 0.00 C ATOM 0 H LEU A 105 82.783 -5.946 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 105 85.088 -7.497 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 105 83.088 -5.885 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.785 -7.530 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 105 84.382 -6.705 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 105 86.463 -7.976 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 105 85.020 -8.926 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.983 -8.146 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 105 86.444 -5.491 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.947 -5.636 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.982 -4.655 -3.451 1.00 0.00 H new ATOM 1666 N LYS A 106 82.328 -8.791 -6.604 1.00 0.00 N ATOM 1667 CA LYS A 106 81.658 -10.051 -6.936 1.00 0.00 C ATOM 1668 C LYS A 106 82.668 -11.139 -7.305 1.00 0.00 C ATOM 1669 O LYS A 106 82.360 -12.328 -7.247 1.00 0.00 O ATOM 1670 CB LYS A 106 80.682 -9.837 -8.101 1.00 0.00 C ATOM 1671 CG LYS A 106 81.348 -9.003 -9.203 1.00 0.00 C ATOM 1672 CD LYS A 106 82.358 -9.859 -9.978 1.00 0.00 C ATOM 1673 CE LYS A 106 82.198 -9.613 -11.481 1.00 0.00 C ATOM 1674 NZ LYS A 106 80.962 -10.288 -11.968 1.00 0.00 N ATOM 0 H LYS A 106 81.910 -7.965 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 106 81.109 -10.380 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 106 80.368 -10.800 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.784 -9.332 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 106 80.590 -8.616 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 106 81.852 -8.142 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 106 83.373 -9.613 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 106 82.202 -10.914 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 106 82.143 -8.543 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 106 83.068 -9.993 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 80.974 -10.326 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 80.921 -11.255 -11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 80.127 -9.755 -11.651 1.00 0.00 H new ATOM 1688 N GLU A 107 83.875 -10.721 -7.683 1.00 0.00 N ATOM 1689 CA GLU A 107 84.925 -11.664 -8.057 1.00 0.00 C ATOM 1690 C GLU A 107 85.268 -12.583 -6.882 1.00 0.00 C ATOM 1691 O GLU A 107 85.751 -13.700 -7.075 1.00 0.00 O ATOM 1692 CB GLU A 107 86.174 -10.891 -8.498 1.00 0.00 C ATOM 1693 CG GLU A 107 87.150 -11.835 -9.209 1.00 0.00 C ATOM 1694 CD GLU A 107 86.621 -12.189 -10.597 1.00 0.00 C ATOM 1695 OE1 GLU A 107 86.740 -11.360 -11.484 1.00 0.00 O ATOM 1696 OE2 GLU A 107 86.105 -13.284 -10.752 1.00 0.00 O ATOM 0 H GLU A 107 84.148 -9.740 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 107 84.567 -12.280 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 107 85.891 -10.077 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 107 86.657 -10.440 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 107 88.128 -11.362 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 107 87.284 -12.742 -8.620 1.00 0.00 H new ATOM 1703 N SER A 108 85.010 -12.103 -5.667 1.00 0.00 N ATOM 1704 CA SER A 108 85.288 -12.883 -4.462 1.00 0.00 C ATOM 1705 C SER A 108 84.311 -14.050 -4.334 1.00 0.00 C ATOM 1706 O SER A 108 84.534 -14.973 -3.546 1.00 0.00 O ATOM 1707 CB SER A 108 85.177 -11.985 -3.228 1.00 0.00 C ATOM 1708 OG SER A 108 85.621 -12.701 -2.083 1.00 0.00 O ATOM 0 H SER A 108 84.610 -11.181 -5.491 1.00 0.00 H new ATOM 0 HA SER A 108 86.299 -13.282 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 108 85.777 -11.085 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 108 84.145 -11.662 -3.091 1.00 0.00 H new ATOM 0 HG SER A 108 85.499 -13.662 -2.231 1.00 0.00 H new ATOM 1714 N ARG A 109 83.229 -14.003 -5.111 1.00 0.00 N ATOM 1715 CA ARG A 109 82.222 -15.062 -5.076 1.00 0.00 C ATOM 1716 C ARG A 109 82.767 -16.351 -5.689 1.00 0.00 C ATOM 1717 O ARG A 109 82.079 -17.374 -5.715 1.00 0.00 O ATOM 1718 CB ARG A 109 80.971 -14.618 -5.838 1.00 0.00 C ATOM 1719 CG ARG A 109 80.338 -13.415 -5.131 1.00 0.00 C ATOM 1720 CD ARG A 109 79.359 -12.713 -6.076 1.00 0.00 C ATOM 1721 NE ARG A 109 78.354 -13.655 -6.559 1.00 0.00 N ATOM 1722 CZ ARG A 109 77.950 -13.640 -7.825 1.00 0.00 C ATOM 1723 NH1 ARG A 109 78.824 -13.725 -8.791 1.00 0.00 N ATOM 1724 NH2 ARG A 109 76.680 -13.541 -8.104 1.00 0.00 N ATOM 0 H ARG A 109 83.028 -13.249 -5.768 1.00 0.00 H new ATOM 0 HA ARG A 109 81.964 -15.255 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.232 -14.354 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 109 80.256 -15.439 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 109 79.817 -13.743 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 109 81.114 -12.718 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 109 78.873 -11.887 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.901 -12.285 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 109 77.955 -14.337 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 109 79.818 -13.803 -8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 109 78.513 -13.713 -9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 109 75.996 -13.475 -7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 109 76.371 -13.530 -9.076 1.00 0.00 H new ATOM 1738 N ASN A 110 84.005 -16.296 -6.177 1.00 0.00 N ATOM 1739 CA ASN A 110 84.635 -17.465 -6.783 1.00 0.00 C ATOM 1740 C ASN A 110 84.902 -18.543 -5.734 1.00 0.00 C ATOM 1741 O ASN A 110 85.324 -19.652 -6.064 1.00 0.00 O ATOM 1742 CB ASN A 110 85.953 -17.059 -7.449 1.00 0.00 C ATOM 1743 CG ASN A 110 85.695 -16.615 -8.885 1.00 0.00 C ATOM 1744 OD1 ASN A 110 85.994 -17.349 -9.826 1.00 0.00 O ATOM 1745 ND2 ASN A 110 85.152 -15.449 -9.112 1.00 0.00 N ATOM 0 H ASN A 110 84.588 -15.459 -6.164 1.00 0.00 H new ATOM 0 HA ASN A 110 83.956 -17.870 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 110 86.420 -16.250 -6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 110 86.649 -17.898 -7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 110 84.976 -15.146 -10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 110 84.904 -14.841 -8.331 1.00 0.00 H new ATOM 1752 N SER A 111 84.651 -18.209 -4.469 1.00 0.00 N ATOM 1753 CA SER A 111 84.864 -19.153 -3.376 1.00 0.00 C ATOM 1754 C SER A 111 83.979 -20.387 -3.545 1.00 0.00 C ATOM 1755 O SER A 111 84.237 -21.431 -2.943 1.00 0.00 O ATOM 1756 CB SER A 111 84.552 -18.479 -2.039 1.00 0.00 C ATOM 1757 OG SER A 111 85.332 -17.296 -1.913 1.00 0.00 O ATOM 0 H SER A 111 84.302 -17.296 -4.178 1.00 0.00 H new ATOM 0 HA SER A 111 85.908 -19.467 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 111 83.491 -18.236 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 111 84.769 -19.160 -1.216 1.00 0.00 H new ATOM 0 HG SER A 111 84.933 -16.582 -2.454 1.00 0.00 H new ATOM 1763 N GLY A 112 82.938 -20.259 -4.365 1.00 0.00 N ATOM 1764 CA GLY A 112 82.019 -21.369 -4.607 1.00 0.00 C ATOM 1765 C GLY A 112 82.728 -22.536 -5.288 1.00 0.00 C ATOM 1766 O GLY A 112 82.214 -23.656 -5.310 1.00 0.00 O ATOM 0 H GLY A 112 82.710 -19.403 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 112 81.591 -21.702 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 112 81.191 -21.030 -5.230 1.00 0.00 H new ATOM 1770 N GLY A 113 83.910 -22.267 -5.842 1.00 0.00 N ATOM 1771 CA GLY A 113 84.684 -23.303 -6.522 1.00 0.00 C ATOM 1772 C GLY A 113 84.980 -24.470 -5.585 1.00 0.00 C ATOM 1773 O GLY A 113 84.730 -25.627 -5.924 1.00 0.00 O ATOM 0 H GLY A 113 84.350 -21.347 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 113 84.133 -23.661 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 113 85.619 -22.881 -6.889 1.00 0.00 H new ATOM 1777 N TYR A 114 85.510 -24.155 -4.405 1.00 0.00 N ATOM 1778 CA TYR A 114 85.838 -25.182 -3.418 1.00 0.00 C ATOM 1779 C TYR A 114 84.873 -25.121 -2.234 1.00 0.00 C ATOM 1780 O TYR A 114 84.133 -24.154 -2.144 1.00 0.00 O ATOM 1781 CB TYR A 114 87.274 -24.989 -2.922 1.00 0.00 C ATOM 1782 CG TYR A 114 87.871 -26.331 -2.562 1.00 0.00 C ATOM 1783 CD1 TYR A 114 88.257 -27.220 -3.572 1.00 0.00 C ATOM 1784 CD2 TYR A 114 88.039 -26.686 -1.217 1.00 0.00 C ATOM 1785 CE1 TYR A 114 88.810 -28.462 -3.241 1.00 0.00 C ATOM 1786 CE2 TYR A 114 88.592 -27.929 -0.885 1.00 0.00 C ATOM 1787 CZ TYR A 114 88.977 -28.816 -1.897 1.00 0.00 C ATOM 1788 OH TYR A 114 89.523 -30.040 -1.569 1.00 0.00 O ATOM 1789 OXT TYR A 114 84.888 -26.043 -1.435 1.00 0.00 O ATOM 0 H TYR A 114 85.721 -23.202 -4.110 1.00 0.00 H new ATOM 0 HA TYR A 114 85.746 -26.158 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 114 87.875 -24.508 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 114 87.284 -24.330 -2.054 1.00 0.00 H new ATOM 0 HD1 TYR A 114 88.128 -26.947 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 114 87.742 -26.001 -0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 114 89.108 -29.147 -4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 114 88.721 -28.203 0.152 1.00 0.00 H new ATOM 0 HH TYR A 114 89.570 -30.127 -0.594 1.00 0.00 H new TER 1799 TYR A 114