USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 39 ASN : amide:sc= 0.714 K(o=3.5,f=-2.7!) USER MOD Set 1.2: A 47 THR OG1 : rot -52:sc= 1.29 USER MOD Set 1.3: A 70 LYS NZ :NH3+ -165:sc= 1.08 (180deg=0) USER MOD Set 1.4: A 75 TYR OH : rot 112:sc= 0.401 USER MOD Set 2.1: A 23 THR OG1 : rot 167:sc= 2.17 USER MOD Set 2.2: A 26 THR OG1 : rot -9:sc= 1.19 USER MOD Set 2.3: A 74 HIS : no HD1:sc= -0.279 K(o=3.1,f=-0.48!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0284 (180deg=-0.342) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.33 (180deg=0.525) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0.395 (180deg=0.124) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.05 K(o=-1.1,f=-4.7!) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 1.24 (180deg=-0.149!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.33! C(o=-1.3!,f=-2.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.338 K(o=-0.34,f=-3.6!) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0.687 (180deg=0.66) USER MOD Single : A 59 SER OG : rot 82:sc=-0.00637 USER MOD Single : A 60 SER OG : rot 66:sc= 1.24 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0779 USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.267 USER MOD Single : A 72 CYS SG : rot 19:sc= 1.19 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -4.73! C(o=-4.7!,f=-3.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.727 K(o=-0.73,f=-0.15) USER MOD Single : A 89 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-3.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -1.68 X(o=-1.7,f=-1.9) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 170:sc= -2.2! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.838 -8.982 10.885 1.00 0.00 N ATOM 2 CA MET A 1 -9.982 -9.456 9.777 1.00 0.00 C ATOM 3 C MET A 1 -9.036 -8.356 9.334 1.00 0.00 C ATOM 4 O MET A 1 -9.202 -7.197 9.713 1.00 0.00 O ATOM 5 CB MET A 1 -10.837 -9.895 8.578 1.00 0.00 C ATOM 6 CG MET A 1 -11.627 -8.764 7.923 1.00 0.00 C ATOM 7 SD MET A 1 -12.942 -8.106 8.968 1.00 0.00 S ATOM 8 CE MET A 1 -14.085 -9.486 8.998 1.00 0.00 C ATOM 0 H1 MET A 1 -11.130 -9.792 11.469 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.306 -8.307 11.470 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.681 -8.514 10.496 1.00 0.00 H new ATOM 0 HA MET A 1 -9.408 -10.309 10.139 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.187 -10.349 7.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.533 -10.667 8.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.942 -7.957 7.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.061 -9.127 6.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.057 -9.146 9.355 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.190 -9.894 7.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.704 -10.259 9.665 1.00 0.00 H new ATOM 20 N TYR A 2 -8.042 -8.726 8.546 1.00 0.00 N ATOM 21 CA TYR A 2 -7.157 -7.759 7.929 1.00 0.00 C ATOM 22 C TYR A 2 -7.433 -7.685 6.440 1.00 0.00 C ATOM 23 O TYR A 2 -7.895 -8.654 5.835 1.00 0.00 O ATOM 24 CB TYR A 2 -5.689 -8.107 8.178 1.00 0.00 C ATOM 25 CG TYR A 2 -5.235 -7.811 9.588 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.390 -8.744 10.604 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.659 -6.588 9.903 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.983 -8.469 11.894 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.248 -6.304 11.190 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.411 -7.249 12.182 1.00 0.00 C ATOM 31 OH TYR A 2 -4.004 -6.970 13.468 1.00 0.00 O ATOM 0 H TYR A 2 -7.828 -9.697 8.318 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.349 -6.786 8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.533 -9.165 7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.067 -7.548 7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.837 -9.702 10.381 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.530 -5.846 9.129 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.112 -9.206 12.673 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.801 -5.348 11.419 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.621 -6.069 13.502 1.00 0.00 H new ATOM 41 N LEU A 3 -7.162 -6.532 5.865 1.00 0.00 N ATOM 42 CA LEU A 3 -7.408 -6.307 4.453 1.00 0.00 C ATOM 43 C LEU A 3 -6.463 -7.129 3.598 1.00 0.00 C ATOM 44 O LEU A 3 -5.250 -6.917 3.606 1.00 0.00 O ATOM 45 CB LEU A 3 -7.256 -4.828 4.118 1.00 0.00 C ATOM 46 CG LEU A 3 -8.143 -3.892 4.934 1.00 0.00 C ATOM 47 CD1 LEU A 3 -7.918 -2.457 4.503 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.608 -4.286 4.796 1.00 0.00 C ATOM 0 H LEU A 3 -6.768 -5.730 6.357 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.429 -6.620 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.215 -4.541 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.477 -4.685 3.060 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.875 -3.979 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.555 -1.796 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.873 -2.189 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.163 -2.352 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.224 -3.607 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.903 -4.228 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.746 -5.306 5.156 1.00 0.00 H new ATOM 60 N ARG A 4 -7.030 -8.082 2.883 1.00 0.00 N ATOM 61 CA ARG A 4 -6.268 -8.893 1.955 1.00 0.00 C ATOM 62 C ARG A 4 -5.899 -8.067 0.721 1.00 0.00 C ATOM 63 O ARG A 4 -6.543 -7.058 0.435 1.00 0.00 O ATOM 64 CB ARG A 4 -7.057 -10.156 1.585 1.00 0.00 C ATOM 65 CG ARG A 4 -7.087 -11.176 2.712 1.00 0.00 C ATOM 66 CD ARG A 4 -7.817 -12.446 2.310 1.00 0.00 C ATOM 67 NE ARG A 4 -7.798 -13.437 3.387 1.00 0.00 N ATOM 68 CZ ARG A 4 -8.878 -14.100 3.802 1.00 0.00 C ATOM 69 NH1 ARG A 4 -10.048 -13.903 3.210 1.00 0.00 N ATOM 70 NH2 ARG A 4 -8.788 -14.969 4.799 1.00 0.00 N ATOM 0 H ARG A 4 -8.022 -8.314 2.928 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.340 -9.214 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.078 -9.879 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.613 -10.611 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.067 -11.422 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.573 -10.739 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.849 -12.208 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.353 -12.867 1.418 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.908 -13.631 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.123 -13.243 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.873 -14.411 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.889 -15.133 5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.617 -15.473 5.112 1.00 0.00 H new ATOM 84 N PRO A 5 -4.852 -8.490 -0.010 1.00 0.00 N ATOM 85 CA PRO A 5 -4.256 -7.736 -1.127 1.00 0.00 C ATOM 86 C PRO A 5 -5.286 -7.156 -2.103 1.00 0.00 C ATOM 87 O PRO A 5 -5.133 -6.028 -2.577 1.00 0.00 O ATOM 88 CB PRO A 5 -3.359 -8.780 -1.827 1.00 0.00 C ATOM 89 CG PRO A 5 -3.702 -10.089 -1.198 1.00 0.00 C ATOM 90 CD PRO A 5 -4.154 -9.758 0.187 1.00 0.00 C ATOM 0 HA PRO A 5 -3.719 -6.859 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.545 -8.800 -2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.304 -8.544 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.487 -10.599 -1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.839 -10.755 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.812 -10.526 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.315 -9.658 0.876 1.00 0.00 H new ATOM 98 N ASP A 6 -6.335 -7.923 -2.394 1.00 0.00 N ATOM 99 CA ASP A 6 -7.387 -7.475 -3.309 1.00 0.00 C ATOM 100 C ASP A 6 -8.075 -6.208 -2.797 1.00 0.00 C ATOM 101 O ASP A 6 -8.255 -5.246 -3.544 1.00 0.00 O ATOM 102 CB ASP A 6 -8.422 -8.579 -3.531 1.00 0.00 C ATOM 103 CG ASP A 6 -9.492 -8.169 -4.527 1.00 0.00 C ATOM 104 OD1 ASP A 6 -9.257 -8.294 -5.747 1.00 0.00 O ATOM 105 OD2 ASP A 6 -10.569 -7.716 -4.096 1.00 0.00 O ATOM 0 H ASP A 6 -6.481 -8.857 -2.011 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.910 -7.242 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.921 -9.478 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.891 -8.832 -2.580 1.00 0.00 H new ATOM 110 N GLU A 7 -8.437 -6.202 -1.515 1.00 0.00 N ATOM 111 CA GLU A 7 -9.113 -5.052 -0.918 1.00 0.00 C ATOM 112 C GLU A 7 -8.205 -3.829 -0.928 1.00 0.00 C ATOM 113 O GLU A 7 -8.664 -2.700 -1.110 1.00 0.00 O ATOM 114 CB GLU A 7 -9.551 -5.355 0.517 1.00 0.00 C ATOM 115 CG GLU A 7 -10.674 -6.376 0.624 1.00 0.00 C ATOM 116 CD GLU A 7 -11.929 -5.964 -0.125 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.359 -4.795 0.000 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.503 -6.817 -0.835 1.00 0.00 O ATOM 0 H GLU A 7 -8.274 -6.977 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.999 -4.843 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.690 -5.718 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.872 -4.427 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.325 -7.333 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.919 -6.528 1.675 1.00 0.00 H new ATOM 125 N VAL A 8 -6.911 -4.062 -0.733 1.00 0.00 N ATOM 126 CA VAL A 8 -5.929 -2.986 -0.760 1.00 0.00 C ATOM 127 C VAL A 8 -5.896 -2.341 -2.142 1.00 0.00 C ATOM 128 O VAL A 8 -5.937 -1.115 -2.269 1.00 0.00 O ATOM 129 CB VAL A 8 -4.518 -3.500 -0.392 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.512 -2.360 -0.356 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.544 -4.226 0.945 1.00 0.00 C ATOM 0 H VAL A 8 -6.519 -4.987 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.226 -2.245 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.206 -4.203 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.529 -2.751 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.465 -1.885 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.820 -1.626 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.542 -4.580 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.885 -3.543 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.224 -5.076 0.885 1.00 0.00 H new ATOM 141 N ALA A 9 -5.843 -3.179 -3.173 1.00 0.00 N ATOM 142 CA ALA A 9 -5.851 -2.709 -4.553 1.00 0.00 C ATOM 143 C ALA A 9 -7.127 -1.929 -4.863 1.00 0.00 C ATOM 144 O ALA A 9 -7.095 -0.939 -5.596 1.00 0.00 O ATOM 145 CB ALA A 9 -5.696 -3.884 -5.509 1.00 0.00 C ATOM 0 H ALA A 9 -5.794 -4.193 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.007 -2.033 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.703 -3.520 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.752 -4.392 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.521 -4.582 -5.365 1.00 0.00 H new ATOM 151 N ARG A 10 -8.241 -2.382 -4.291 1.00 0.00 N ATOM 152 CA ARG A 10 -9.540 -1.743 -4.494 1.00 0.00 C ATOM 153 C ARG A 10 -9.492 -0.273 -4.089 1.00 0.00 C ATOM 154 O ARG A 10 -9.926 0.609 -4.839 1.00 0.00 O ATOM 155 CB ARG A 10 -10.615 -2.460 -3.674 1.00 0.00 C ATOM 156 CG ARG A 10 -12.026 -1.964 -3.957 1.00 0.00 C ATOM 157 CD ARG A 10 -13.030 -2.480 -2.935 1.00 0.00 C ATOM 158 NE ARG A 10 -12.932 -3.926 -2.731 1.00 0.00 N ATOM 159 CZ ARG A 10 -13.361 -4.842 -3.600 1.00 0.00 C ATOM 160 NH1 ARG A 10 -13.939 -4.480 -4.736 1.00 0.00 N ATOM 161 NH2 ARG A 10 -13.218 -6.128 -3.320 1.00 0.00 N ATOM 0 H ARG A 10 -8.269 -3.197 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.785 -1.808 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.566 -3.529 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.399 -2.330 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.034 -0.874 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.329 -2.282 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.870 -1.971 -1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.039 -2.231 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.506 -4.256 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.060 -3.491 -4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.263 -5.190 -5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.782 -6.414 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.544 -6.833 -3.981 1.00 0.00 H new ATOM 175 N VAL A 11 -8.959 -0.021 -2.901 1.00 0.00 N ATOM 176 CA VAL A 11 -8.886 1.332 -2.367 1.00 0.00 C ATOM 177 C VAL A 11 -7.925 2.188 -3.186 1.00 0.00 C ATOM 178 O VAL A 11 -8.211 3.351 -3.479 1.00 0.00 O ATOM 179 CB VAL A 11 -8.445 1.339 -0.886 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.444 2.755 -0.330 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.346 0.440 -0.057 1.00 0.00 C ATOM 0 H VAL A 11 -8.570 -0.737 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.889 1.753 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.428 0.951 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.130 2.736 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.753 3.371 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.448 3.174 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.020 0.458 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.374 0.796 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.291 -0.580 -0.437 1.00 0.00 H new ATOM 191 N LEU A 12 -6.790 1.607 -3.561 1.00 0.00 N ATOM 192 CA LEU A 12 -5.802 2.309 -4.371 1.00 0.00 C ATOM 193 C LEU A 12 -6.399 2.737 -5.710 1.00 0.00 C ATOM 194 O LEU A 12 -6.248 3.882 -6.128 1.00 0.00 O ATOM 195 CB LEU A 12 -4.574 1.425 -4.602 1.00 0.00 C ATOM 196 CG LEU A 12 -3.762 1.092 -3.347 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.636 0.131 -3.682 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.203 2.361 -2.718 1.00 0.00 C ATOM 0 H LEU A 12 -6.532 0.651 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.496 3.204 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.900 0.492 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.919 1.922 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.426 0.613 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.069 -0.095 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.053 -0.790 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.976 0.587 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.629 2.104 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.555 2.867 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.024 3.022 -2.442 1.00 0.00 H new ATOM 210 N GLU A 13 -7.090 1.811 -6.361 1.00 0.00 N ATOM 211 CA GLU A 13 -7.726 2.078 -7.649 1.00 0.00 C ATOM 212 C GLU A 13 -8.687 3.262 -7.528 1.00 0.00 C ATOM 213 O GLU A 13 -8.749 4.125 -8.406 1.00 0.00 O ATOM 214 CB GLU A 13 -8.456 0.813 -8.120 1.00 0.00 C ATOM 215 CG GLU A 13 -8.869 0.821 -9.587 1.00 0.00 C ATOM 216 CD GLU A 13 -10.235 1.434 -9.820 1.00 0.00 C ATOM 217 OE1 GLU A 13 -11.228 0.896 -9.285 1.00 0.00 O ATOM 218 OE2 GLU A 13 -10.327 2.434 -10.561 1.00 0.00 O ATOM 0 H GLU A 13 -7.226 0.861 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.970 2.342 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.812 -0.048 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.347 0.675 -7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.127 1.373 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.868 -0.202 -9.963 1.00 0.00 H new ATOM 225 N LYS A 14 -9.403 3.313 -6.411 1.00 0.00 N ATOM 226 CA LYS A 14 -10.323 4.409 -6.122 1.00 0.00 C ATOM 227 C LYS A 14 -9.563 5.713 -5.934 1.00 0.00 C ATOM 228 O LYS A 14 -9.947 6.759 -6.450 1.00 0.00 O ATOM 229 CB LYS A 14 -11.086 4.112 -4.838 1.00 0.00 C ATOM 230 CG LYS A 14 -12.244 5.063 -4.579 1.00 0.00 C ATOM 231 CD LYS A 14 -12.696 4.997 -3.130 1.00 0.00 C ATOM 232 CE LYS A 14 -11.612 5.494 -2.187 1.00 0.00 C ATOM 233 NZ LYS A 14 -11.386 6.960 -2.311 1.00 0.00 N ATOM 0 H LYS A 14 -9.364 2.600 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.010 4.506 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.468 3.092 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.395 4.158 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.943 6.082 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.078 4.812 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.596 5.598 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.959 3.970 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.890 5.257 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.682 4.966 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.838 7.297 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.860 7.157 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.302 7.451 -2.339 1.00 0.00 H new ATOM 247 N ALA A 15 -8.484 5.622 -5.170 1.00 0.00 N ATOM 248 CA ALA A 15 -7.657 6.779 -4.821 1.00 0.00 C ATOM 249 C ALA A 15 -6.970 7.406 -6.040 1.00 0.00 C ATOM 250 O ALA A 15 -6.311 8.444 -5.921 1.00 0.00 O ATOM 251 CB ALA A 15 -6.622 6.378 -3.782 1.00 0.00 C ATOM 0 H ALA A 15 -8.153 4.744 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.321 7.539 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.010 7.243 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.127 6.013 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.987 5.590 -4.187 1.00 0.00 H new ATOM 257 N GLY A 16 -7.116 6.781 -7.200 1.00 0.00 N ATOM 258 CA GLY A 16 -6.531 7.320 -8.416 1.00 0.00 C ATOM 259 C GLY A 16 -5.203 6.675 -8.746 1.00 0.00 C ATOM 260 O GLY A 16 -4.341 7.290 -9.371 1.00 0.00 O ATOM 0 H GLY A 16 -7.630 5.908 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.221 7.171 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.393 8.396 -8.305 1.00 0.00 H new ATOM 264 N PHE A 17 -5.040 5.438 -8.310 1.00 0.00 N ATOM 265 CA PHE A 17 -3.808 4.697 -8.528 1.00 0.00 C ATOM 266 C PHE A 17 -3.915 3.779 -9.739 1.00 0.00 C ATOM 267 O PHE A 17 -4.995 3.294 -10.073 1.00 0.00 O ATOM 268 CB PHE A 17 -3.476 3.859 -7.302 1.00 0.00 C ATOM 269 CG PHE A 17 -2.744 4.596 -6.219 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.425 5.410 -5.330 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.371 4.462 -6.084 1.00 0.00 C ATOM 272 CE1 PHE A 17 -2.750 6.079 -4.327 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.690 5.130 -5.085 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.382 5.940 -4.205 1.00 0.00 C ATOM 0 H PHE A 17 -5.754 4.920 -7.797 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.017 5.425 -8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.403 3.460 -6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.873 3.006 -7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.495 5.523 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.827 3.828 -6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.292 6.710 -3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.380 5.020 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.853 6.464 -3.423 1.00 0.00 H new ATOM 284 N THR A 18 -2.782 3.540 -10.384 1.00 0.00 N ATOM 285 CA THR A 18 -2.707 2.613 -11.503 1.00 0.00 C ATOM 286 C THR A 18 -1.516 1.679 -11.313 1.00 0.00 C ATOM 287 O THR A 18 -0.509 2.070 -10.722 1.00 0.00 O ATOM 288 CB THR A 18 -2.567 3.358 -12.850 1.00 0.00 C ATOM 289 OG1 THR A 18 -1.495 4.312 -12.781 1.00 0.00 O ATOM 290 CG2 THR A 18 -3.863 4.066 -13.220 1.00 0.00 C ATOM 0 H THR A 18 -1.893 3.981 -10.148 1.00 0.00 H new ATOM 0 HA THR A 18 -3.634 2.040 -11.528 1.00 0.00 H new ATOM 0 HB THR A 18 -2.344 2.620 -13.621 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.415 4.777 -13.640 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.737 4.582 -14.172 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.665 3.334 -13.308 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.116 4.790 -12.445 1.00 0.00 H new ATOM 298 N VAL A 19 -1.627 0.447 -11.783 1.00 0.00 N ATOM 299 CA VAL A 19 -0.543 -0.510 -11.625 1.00 0.00 C ATOM 300 C VAL A 19 0.458 -0.386 -12.775 1.00 0.00 C ATOM 301 O VAL A 19 0.075 -0.219 -13.936 1.00 0.00 O ATOM 302 CB VAL A 19 -1.067 -1.964 -11.526 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.602 -2.462 -12.861 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.014 -2.892 -10.998 1.00 0.00 C ATOM 0 H VAL A 19 -2.447 0.088 -12.272 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.038 -0.275 -10.688 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.898 -1.965 -10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.960 -3.486 -12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.423 -1.823 -13.185 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.806 -2.435 -13.605 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.377 -3.908 -10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.871 -2.873 -11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.324 -2.562 -10.006 1.00 0.00 H new ATOM 314 N ASP A 20 1.738 -0.429 -12.442 1.00 0.00 N ATOM 315 CA ASP A 20 2.797 -0.377 -13.442 1.00 0.00 C ATOM 316 C ASP A 20 3.349 -1.769 -13.701 1.00 0.00 C ATOM 317 O ASP A 20 3.381 -2.240 -14.840 1.00 0.00 O ATOM 318 CB ASP A 20 3.925 0.550 -12.982 1.00 0.00 C ATOM 319 CG ASP A 20 5.144 0.492 -13.889 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.005 0.742 -15.106 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.250 0.210 -13.385 1.00 0.00 O ATOM 0 H ASP A 20 2.072 -0.500 -11.481 1.00 0.00 H new ATOM 0 HA ASP A 20 2.374 0.015 -14.367 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.554 1.574 -12.945 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.220 0.280 -11.968 1.00 0.00 H new ATOM 326 N VAL A 21 3.755 -2.434 -12.631 1.00 0.00 N ATOM 327 CA VAL A 21 4.361 -3.749 -12.736 1.00 0.00 C ATOM 328 C VAL A 21 3.564 -4.774 -11.941 1.00 0.00 C ATOM 329 O VAL A 21 3.094 -4.488 -10.841 1.00 0.00 O ATOM 330 CB VAL A 21 5.827 -3.739 -12.231 1.00 0.00 C ATOM 331 CG1 VAL A 21 5.908 -3.302 -10.766 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.470 -5.105 -12.417 1.00 0.00 C ATOM 0 H VAL A 21 3.675 -2.082 -11.677 1.00 0.00 H new ATOM 0 HA VAL A 21 4.356 -4.023 -13.791 1.00 0.00 H new ATOM 0 HB VAL A 21 6.378 -3.013 -12.828 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.949 -3.306 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.499 -2.297 -10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.334 -3.992 -10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.498 -5.075 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.909 -5.851 -11.854 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.464 -5.369 -13.475 1.00 0.00 H new ATOM 342 N VAL A 22 3.384 -5.958 -12.500 1.00 0.00 N ATOM 343 CA VAL A 22 2.817 -7.050 -11.735 1.00 0.00 C ATOM 344 C VAL A 22 3.797 -8.213 -11.699 1.00 0.00 C ATOM 345 O VAL A 22 4.333 -8.635 -12.727 1.00 0.00 O ATOM 346 CB VAL A 22 1.431 -7.527 -12.258 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.535 -6.345 -12.591 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.551 -8.463 -13.455 1.00 0.00 C ATOM 0 H VAL A 22 3.619 -6.184 -13.466 1.00 0.00 H new ATOM 0 HA VAL A 22 2.643 -6.670 -10.728 1.00 0.00 H new ATOM 0 HB VAL A 22 0.971 -8.096 -11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.426 -6.708 -12.954 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.381 -5.742 -11.696 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.007 -5.736 -13.362 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.556 -8.766 -13.781 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.058 -7.948 -14.270 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.124 -9.345 -13.171 1.00 0.00 H new ATOM 358 N THR A 23 4.073 -8.687 -10.505 1.00 0.00 N ATOM 359 CA THR A 23 4.880 -9.873 -10.331 1.00 0.00 C ATOM 360 C THR A 23 4.068 -10.868 -9.536 1.00 0.00 C ATOM 361 O THR A 23 3.071 -10.489 -8.922 1.00 0.00 O ATOM 362 CB THR A 23 6.207 -9.586 -9.589 1.00 0.00 C ATOM 363 OG1 THR A 23 5.949 -9.188 -8.240 1.00 0.00 O ATOM 364 CG2 THR A 23 7.012 -8.503 -10.294 1.00 0.00 C ATOM 0 H THR A 23 3.748 -8.266 -9.635 1.00 0.00 H new ATOM 0 HA THR A 23 5.145 -10.259 -11.315 1.00 0.00 H new ATOM 0 HB THR A 23 6.790 -10.507 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.783 -9.214 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.938 -8.325 -9.748 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.245 -8.825 -11.309 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.430 -7.582 -10.331 1.00 0.00 H new ATOM 372 N ASN A 24 4.490 -12.120 -9.512 1.00 0.00 N ATOM 373 CA ASN A 24 3.781 -13.139 -8.743 1.00 0.00 C ATOM 374 C ASN A 24 3.935 -12.873 -7.240 1.00 0.00 C ATOM 375 O ASN A 24 3.431 -13.622 -6.401 1.00 0.00 O ATOM 376 CB ASN A 24 4.298 -14.543 -9.082 1.00 0.00 C ATOM 377 CG ASN A 24 5.733 -14.779 -8.632 1.00 0.00 C ATOM 378 OD1 ASN A 24 6.554 -13.860 -8.596 1.00 0.00 O ATOM 379 ND2 ASN A 24 6.044 -16.017 -8.280 1.00 0.00 N ATOM 0 H ASN A 24 5.313 -12.458 -10.011 1.00 0.00 H new ATOM 0 HA ASN A 24 2.725 -13.089 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.651 -15.284 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.232 -14.697 -10.159 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.990 -16.236 -7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.338 -16.752 -8.323 1.00 0.00 H new ATOM 386 N LYS A 25 4.651 -11.802 -6.922 1.00 0.00 N ATOM 387 CA LYS A 25 4.907 -11.406 -5.550 1.00 0.00 C ATOM 388 C LYS A 25 4.192 -10.096 -5.214 1.00 0.00 C ATOM 389 O LYS A 25 3.753 -9.894 -4.082 1.00 0.00 O ATOM 390 CB LYS A 25 6.414 -11.221 -5.344 1.00 0.00 C ATOM 391 CG LYS A 25 7.241 -12.450 -5.684 1.00 0.00 C ATOM 392 CD LYS A 25 7.201 -13.478 -4.571 1.00 0.00 C ATOM 393 CE LYS A 25 7.999 -13.014 -3.363 1.00 0.00 C ATOM 394 NZ LYS A 25 7.805 -13.910 -2.199 1.00 0.00 N ATOM 0 H LYS A 25 5.071 -11.183 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 25 4.529 -12.189 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.754 -10.386 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.597 -10.949 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.867 -12.897 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.274 -12.154 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.167 -13.661 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.602 -14.425 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.058 -12.975 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.698 -12.001 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.658 -13.895 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.989 -13.585 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.632 -14.880 -2.532 1.00 0.00 H new ATOM 408 N THR A 26 4.062 -9.206 -6.199 1.00 0.00 N ATOM 409 CA THR A 26 3.636 -7.834 -5.917 1.00 0.00 C ATOM 410 C THR A 26 2.767 -7.232 -6.996 1.00 0.00 C ATOM 411 O THR A 26 2.759 -7.675 -8.149 1.00 0.00 O ATOM 412 CB THR A 26 4.838 -6.881 -5.767 1.00 0.00 C ATOM 413 OG1 THR A 26 5.672 -6.932 -6.932 1.00 0.00 O ATOM 414 CG2 THR A 26 5.658 -7.223 -4.559 1.00 0.00 C ATOM 0 H THR A 26 4.242 -9.405 -7.183 1.00 0.00 H new ATOM 0 HA THR A 26 3.069 -7.925 -4.991 1.00 0.00 H new ATOM 0 HB THR A 26 4.440 -5.873 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.379 -7.666 -7.512 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.498 -6.532 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.040 -7.143 -3.665 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.034 -8.242 -4.651 1.00 0.00 H new ATOM 422 N TYR A 27 2.039 -6.208 -6.598 1.00 0.00 N ATOM 423 CA TYR A 27 1.499 -5.259 -7.534 1.00 0.00 C ATOM 424 C TYR A 27 2.239 -3.940 -7.373 1.00 0.00 C ATOM 425 O TYR A 27 2.124 -3.285 -6.337 1.00 0.00 O ATOM 426 CB TYR A 27 0.002 -5.011 -7.327 1.00 0.00 C ATOM 427 CG TYR A 27 -0.918 -6.109 -7.802 1.00 0.00 C ATOM 428 CD1 TYR A 27 -0.924 -6.515 -9.131 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.817 -6.710 -6.928 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.798 -7.488 -9.574 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.688 -7.688 -7.363 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.676 -8.073 -8.685 1.00 0.00 C ATOM 433 OH TYR A 27 -3.561 -9.030 -9.123 1.00 0.00 O ATOM 0 H TYR A 27 1.810 -6.016 -5.623 1.00 0.00 H new ATOM 0 HA TYR A 27 1.628 -5.673 -8.534 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.176 -4.848 -6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.269 -4.089 -7.841 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.234 -6.063 -9.828 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.834 -6.406 -5.892 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.794 -7.789 -10.611 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.376 -8.149 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.107 -9.340 -8.370 1.00 0.00 H new ATOM 443 N GLY A 28 3.016 -3.572 -8.376 1.00 0.00 N ATOM 444 CA GLY A 28 3.709 -2.301 -8.348 1.00 0.00 C ATOM 445 C GLY A 28 2.777 -1.175 -8.722 1.00 0.00 C ATOM 446 O GLY A 28 2.600 -0.867 -9.900 1.00 0.00 O ATOM 0 H GLY A 28 3.181 -4.132 -9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.117 -2.126 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.552 -2.326 -9.038 1.00 0.00 H new ATOM 450 N TYR A 29 2.177 -0.579 -7.716 1.00 0.00 N ATOM 451 CA TYR A 29 1.145 0.417 -7.903 1.00 0.00 C ATOM 452 C TYR A 29 1.728 1.823 -7.862 1.00 0.00 C ATOM 453 O TYR A 29 2.581 2.124 -7.030 1.00 0.00 O ATOM 454 CB TYR A 29 0.081 0.240 -6.823 1.00 0.00 C ATOM 455 CG TYR A 29 -1.204 -0.360 -7.345 1.00 0.00 C ATOM 456 CD1 TYR A 29 -2.192 0.441 -7.899 1.00 0.00 C ATOM 457 CD2 TYR A 29 -1.423 -1.728 -7.289 1.00 0.00 C ATOM 458 CE1 TYR A 29 -3.363 -0.105 -8.386 1.00 0.00 C ATOM 459 CE2 TYR A 29 -2.590 -2.285 -7.772 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.557 -1.470 -8.319 1.00 0.00 C ATOM 461 OH TYR A 29 -4.720 -2.020 -8.804 1.00 0.00 O ATOM 0 H TYR A 29 2.393 -0.773 -6.738 1.00 0.00 H new ATOM 0 HA TYR A 29 0.691 0.282 -8.885 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.477 -0.398 -6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.135 1.209 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.043 1.509 -7.950 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.667 -2.369 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.122 0.532 -8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.744 -3.353 -7.721 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.698 -2.992 -8.682 1.00 0.00 H new ATOM 471 N ARG A 30 1.272 2.682 -8.761 1.00 0.00 N ATOM 472 CA ARG A 30 1.819 4.023 -8.853 1.00 0.00 C ATOM 473 C ARG A 30 0.736 5.067 -9.108 1.00 0.00 C ATOM 474 O ARG A 30 -0.263 4.811 -9.786 1.00 0.00 O ATOM 475 CB ARG A 30 2.871 4.097 -9.962 1.00 0.00 C ATOM 476 CG ARG A 30 2.313 3.815 -11.344 1.00 0.00 C ATOM 477 CD ARG A 30 3.349 4.048 -12.433 1.00 0.00 C ATOM 478 NE ARG A 30 2.797 3.776 -13.755 1.00 0.00 N ATOM 479 CZ ARG A 30 3.506 3.713 -14.879 1.00 0.00 C ATOM 480 NH1 ARG A 30 4.803 3.996 -14.880 1.00 0.00 N ATOM 481 NH2 ARG A 30 2.902 3.394 -16.013 1.00 0.00 N ATOM 0 H ARG A 30 0.531 2.475 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 30 2.282 4.245 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.324 5.088 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.666 3.383 -9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.963 2.784 -11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.448 4.454 -11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.701 5.079 -12.388 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.214 3.408 -12.259 1.00 0.00 H new ATOM 0 HE ARG A 30 1.791 3.622 -13.823 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.267 4.265 -14.012 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.336 3.944 -15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.901 3.199 -16.020 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.438 3.343 -16.879 1.00 0.00 H new ATOM 495 N ARG A 31 0.949 6.239 -8.539 1.00 0.00 N ATOM 496 CA ARG A 31 0.135 7.408 -8.818 1.00 0.00 C ATOM 497 C ARG A 31 1.049 8.621 -8.895 1.00 0.00 C ATOM 498 O ARG A 31 1.346 9.254 -7.880 1.00 0.00 O ATOM 499 CB ARG A 31 -0.928 7.609 -7.736 1.00 0.00 C ATOM 500 CG ARG A 31 -1.861 8.781 -8.000 1.00 0.00 C ATOM 501 CD ARG A 31 -2.850 8.969 -6.863 1.00 0.00 C ATOM 502 NE ARG A 31 -2.176 9.284 -5.602 1.00 0.00 N ATOM 503 CZ ARG A 31 -2.814 9.587 -4.473 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.142 9.574 -4.434 1.00 0.00 N ATOM 505 NH2 ARG A 31 -2.117 9.881 -3.380 1.00 0.00 N ATOM 0 H ARG A 31 1.696 6.408 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.386 7.270 -9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.520 6.698 -7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.432 7.760 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.276 9.692 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.402 8.614 -8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.544 9.771 -7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.442 8.061 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.156 9.271 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.674 9.332 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.629 9.806 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.097 9.874 -3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.602 10.114 -2.513 1.00 0.00 H new ATOM 519 N GLY A 32 1.533 8.912 -10.092 1.00 0.00 N ATOM 520 CA GLY A 32 2.539 9.943 -10.244 1.00 0.00 C ATOM 521 C GLY A 32 3.863 9.493 -9.660 1.00 0.00 C ATOM 522 O GLY A 32 4.477 8.550 -10.160 1.00 0.00 O ATOM 0 H GLY A 32 1.249 8.455 -10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.665 10.182 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.209 10.856 -9.748 1.00 0.00 H new ATOM 526 N GLU A 33 4.286 10.140 -8.584 1.00 0.00 N ATOM 527 CA GLU A 33 5.507 9.745 -7.889 1.00 0.00 C ATOM 528 C GLU A 33 5.181 8.910 -6.654 1.00 0.00 C ATOM 529 O GLU A 33 6.045 8.636 -5.823 1.00 0.00 O ATOM 530 CB GLU A 33 6.335 10.971 -7.494 1.00 0.00 C ATOM 531 CG GLU A 33 7.095 11.608 -8.650 1.00 0.00 C ATOM 532 CD GLU A 33 6.191 12.196 -9.715 1.00 0.00 C ATOM 533 OE1 GLU A 33 5.441 13.146 -9.406 1.00 0.00 O ATOM 534 OE2 GLU A 33 6.224 11.713 -10.864 1.00 0.00 O ATOM 0 H GLU A 33 3.805 10.939 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 33 6.098 9.137 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.673 11.717 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.047 10.681 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.743 12.393 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.742 10.859 -9.106 1.00 0.00 H new ATOM 541 N ASN A 34 3.929 8.495 -6.549 1.00 0.00 N ATOM 542 CA ASN A 34 3.494 7.638 -5.453 1.00 0.00 C ATOM 543 C ASN A 34 3.657 6.181 -5.859 1.00 0.00 C ATOM 544 O ASN A 34 2.816 5.637 -6.569 1.00 0.00 O ATOM 545 CB ASN A 34 2.021 7.908 -5.100 1.00 0.00 C ATOM 546 CG ASN A 34 1.779 9.240 -4.405 1.00 0.00 C ATOM 547 OD1 ASN A 34 0.763 9.422 -3.729 1.00 0.00 O ATOM 548 ND2 ASN A 34 2.705 10.176 -4.549 1.00 0.00 N ATOM 0 H ASN A 34 3.192 8.738 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 34 4.106 7.854 -4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.428 7.875 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.660 7.105 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.590 11.081 -4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.533 9.991 -5.115 1.00 0.00 H new ATOM 555 N TYR A 35 4.756 5.566 -5.445 1.00 0.00 N ATOM 556 CA TYR A 35 5.033 4.178 -5.802 1.00 0.00 C ATOM 557 C TYR A 35 4.909 3.271 -4.588 1.00 0.00 C ATOM 558 O TYR A 35 5.656 3.413 -3.619 1.00 0.00 O ATOM 559 CB TYR A 35 6.433 4.037 -6.402 1.00 0.00 C ATOM 560 CG TYR A 35 6.635 4.835 -7.668 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.117 4.391 -8.879 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.342 6.029 -7.654 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.301 5.114 -10.041 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.533 6.757 -8.811 1.00 0.00 C ATOM 565 CZ TYR A 35 7.009 6.299 -10.000 1.00 0.00 C ATOM 566 OH TYR A 35 7.206 7.020 -11.153 1.00 0.00 O ATOM 0 H TYR A 35 5.470 6.003 -4.863 1.00 0.00 H new ATOM 0 HA TYR A 35 4.296 3.878 -6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.169 4.353 -5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.624 2.985 -6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.562 3.465 -8.912 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.749 6.394 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.894 4.755 -10.975 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.091 7.681 -8.784 1.00 0.00 H new ATOM 0 HH TYR A 35 7.722 7.828 -10.950 1.00 0.00 H new ATOM 576 N VAL A 36 3.969 2.341 -4.653 1.00 0.00 N ATOM 577 CA VAL A 36 3.750 1.390 -3.575 1.00 0.00 C ATOM 578 C VAL A 36 3.703 -0.032 -4.126 1.00 0.00 C ATOM 579 O VAL A 36 3.383 -0.246 -5.295 1.00 0.00 O ATOM 580 CB VAL A 36 2.444 1.686 -2.798 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.513 3.046 -2.121 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.234 1.611 -3.718 1.00 0.00 C ATOM 0 H VAL A 36 3.341 2.225 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 36 4.585 1.490 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 36 2.335 0.923 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.584 3.231 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.349 3.062 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.656 3.821 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.330 1.823 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.339 2.344 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.166 0.612 -4.149 1.00 0.00 H new ATOM 592 N TYR A 37 4.029 -0.998 -3.286 1.00 0.00 N ATOM 593 CA TYR A 37 4.018 -2.396 -3.690 1.00 0.00 C ATOM 594 C TYR A 37 2.978 -3.154 -2.877 1.00 0.00 C ATOM 595 O TYR A 37 3.087 -3.247 -1.656 1.00 0.00 O ATOM 596 CB TYR A 37 5.395 -3.028 -3.479 1.00 0.00 C ATOM 597 CG TYR A 37 6.501 -2.348 -4.250 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.704 -2.621 -5.597 1.00 0.00 C ATOM 599 CD2 TYR A 37 7.339 -1.432 -3.630 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.715 -1.999 -6.302 1.00 0.00 C ATOM 601 CE2 TYR A 37 8.349 -0.809 -4.330 1.00 0.00 C ATOM 602 CZ TYR A 37 8.533 -1.093 -5.664 1.00 0.00 C ATOM 603 OH TYR A 37 9.544 -0.472 -6.358 1.00 0.00 O ATOM 0 H TYR A 37 4.306 -0.841 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 37 3.768 -2.451 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.637 -3.003 -2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.352 -4.077 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.062 -3.329 -6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.197 -1.204 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.864 -2.222 -7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.995 -0.100 -3.833 1.00 0.00 H new ATOM 0 HH TYR A 37 10.025 0.137 -5.760 1.00 0.00 H new ATOM 613 N VAL A 38 1.959 -3.666 -3.541 1.00 0.00 N ATOM 614 CA VAL A 38 0.957 -4.475 -2.867 1.00 0.00 C ATOM 615 C VAL A 38 1.399 -5.930 -2.860 1.00 0.00 C ATOM 616 O VAL A 38 1.643 -6.513 -3.917 1.00 0.00 O ATOM 617 CB VAL A 38 -0.425 -4.366 -3.548 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.488 -5.109 -2.749 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.812 -2.911 -3.743 1.00 0.00 C ATOM 0 H VAL A 38 1.802 -3.538 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 38 0.860 -4.102 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.357 -4.835 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.451 -5.016 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.217 -6.162 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.557 -4.681 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.788 -2.856 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.856 -2.413 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.070 -2.418 -4.371 1.00 0.00 H new ATOM 629 N ASN A 39 1.525 -6.505 -1.676 1.00 0.00 N ATOM 630 CA ASN A 39 1.979 -7.883 -1.549 1.00 0.00 C ATOM 631 C ASN A 39 0.871 -8.847 -1.968 1.00 0.00 C ATOM 632 O ASN A 39 -0.209 -8.850 -1.382 1.00 0.00 O ATOM 633 CB ASN A 39 2.412 -8.179 -0.114 1.00 0.00 C ATOM 634 CG ASN A 39 3.132 -9.507 0.005 1.00 0.00 C ATOM 635 OD1 ASN A 39 2.516 -10.541 0.236 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.443 -9.480 -0.160 1.00 0.00 N ATOM 0 H ASN A 39 1.320 -6.042 -0.790 1.00 0.00 H new ATOM 0 HA ASN A 39 2.837 -8.021 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.065 -7.381 0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.536 -8.183 0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.983 -10.343 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.915 -8.596 -0.351 1.00 0.00 H new ATOM 643 N ARG A 40 1.145 -9.669 -2.973 1.00 0.00 N ATOM 644 CA ARG A 40 0.137 -10.578 -3.521 1.00 0.00 C ATOM 645 C ARG A 40 0.122 -11.913 -2.785 1.00 0.00 C ATOM 646 O ARG A 40 -0.534 -12.865 -3.214 1.00 0.00 O ATOM 647 CB ARG A 40 0.403 -10.830 -5.002 1.00 0.00 C ATOM 648 CG ARG A 40 0.211 -9.609 -5.877 1.00 0.00 C ATOM 649 CD ARG A 40 0.503 -9.925 -7.333 1.00 0.00 C ATOM 650 NE ARG A 40 -0.374 -10.969 -7.864 1.00 0.00 N ATOM 651 CZ ARG A 40 -0.635 -11.136 -9.158 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.055 -10.354 -10.061 1.00 0.00 N ATOM 653 NH2 ARG A 40 -1.465 -12.093 -9.551 1.00 0.00 N ATOM 0 H ARG A 40 2.056 -9.728 -3.428 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.834 -10.100 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.424 -11.193 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.260 -11.622 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.812 -9.246 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.868 -8.808 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.387 -9.020 -7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.541 -10.241 -7.432 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.812 -11.608 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.592 -9.624 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.256 -10.484 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.904 -12.702 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.664 -12.220 -10.543 1.00 0.00 H new ATOM 667 N GLU A 41 0.846 -11.980 -1.683 1.00 0.00 N ATOM 668 CA GLU A 41 0.961 -13.213 -0.924 1.00 0.00 C ATOM 669 C GLU A 41 0.431 -13.009 0.486 1.00 0.00 C ATOM 670 O GLU A 41 0.647 -13.838 1.375 1.00 0.00 O ATOM 671 CB GLU A 41 2.425 -13.645 -0.867 1.00 0.00 C ATOM 672 CG GLU A 41 3.123 -13.574 -2.214 1.00 0.00 C ATOM 673 CD GLU A 41 4.583 -13.942 -2.130 1.00 0.00 C ATOM 674 OE1 GLU A 41 5.370 -13.150 -1.575 1.00 0.00 O ATOM 675 OE2 GLU A 41 4.954 -15.030 -2.620 1.00 0.00 O ATOM 0 H GLU A 41 1.365 -11.193 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 41 0.373 -13.989 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.956 -13.012 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.481 -14.666 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.623 -14.243 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.029 -12.565 -2.615 1.00 0.00 H new ATOM 682 N ALA A 42 -0.274 -11.904 0.687 1.00 0.00 N ATOM 683 CA ALA A 42 -0.730 -11.539 2.014 1.00 0.00 C ATOM 684 C ALA A 42 -2.043 -12.224 2.365 1.00 0.00 C ATOM 685 O ALA A 42 -3.120 -11.745 2.023 1.00 0.00 O ATOM 686 CB ALA A 42 -0.863 -10.032 2.132 1.00 0.00 C ATOM 0 H ALA A 42 -0.540 -11.250 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 42 0.018 -11.882 2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.206 -9.774 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.105 -9.566 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.584 -9.672 1.398 1.00 0.00 H new ATOM 692 N ARG A 43 -1.945 -13.361 3.028 1.00 0.00 N ATOM 693 CA ARG A 43 -3.121 -14.019 3.568 1.00 0.00 C ATOM 694 C ARG A 43 -3.544 -13.271 4.817 1.00 0.00 C ATOM 695 O ARG A 43 -4.726 -13.184 5.150 1.00 0.00 O ATOM 696 CB ARG A 43 -2.816 -15.479 3.900 1.00 0.00 C ATOM 697 CG ARG A 43 -2.272 -16.265 2.721 1.00 0.00 C ATOM 698 CD ARG A 43 -1.911 -17.683 3.118 1.00 0.00 C ATOM 699 NE ARG A 43 -1.210 -18.385 2.050 1.00 0.00 N ATOM 700 CZ ARG A 43 -0.705 -19.610 2.166 1.00 0.00 C ATOM 701 NH1 ARG A 43 -0.846 -20.290 3.297 1.00 0.00 N ATOM 702 NH2 ARG A 43 -0.063 -20.153 1.144 1.00 0.00 N ATOM 0 H ARG A 43 -1.066 -13.847 3.206 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.925 -14.009 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.094 -15.515 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.726 -15.960 4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.015 -16.287 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.391 -15.762 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.285 -17.662 4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.818 -18.229 3.377 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.100 -17.906 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.344 -19.874 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.456 -21.229 3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.042 -19.632 0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.326 -21.092 1.227 1.00 0.00 H new ATOM 716 N MET A 44 -2.543 -12.723 5.493 1.00 0.00 N ATOM 717 CA MET A 44 -2.754 -11.863 6.641 1.00 0.00 C ATOM 718 C MET A 44 -2.313 -10.450 6.277 1.00 0.00 C ATOM 719 O MET A 44 -1.123 -10.207 6.065 1.00 0.00 O ATOM 720 CB MET A 44 -1.950 -12.355 7.849 1.00 0.00 C ATOM 721 CG MET A 44 -2.103 -13.839 8.136 1.00 0.00 C ATOM 722 SD MET A 44 -3.811 -14.326 8.439 1.00 0.00 S ATOM 723 CE MET A 44 -3.615 -16.095 8.650 1.00 0.00 C ATOM 0 H MET A 44 -1.561 -12.865 5.257 1.00 0.00 H new ATOM 0 HA MET A 44 -3.811 -11.877 6.908 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.895 -12.135 7.683 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.258 -11.792 8.730 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.713 -14.409 7.292 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.497 -14.100 9.004 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.587 -16.548 8.846 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.191 -16.525 7.743 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.948 -16.290 9.490 1.00 0.00 H new ATOM 733 N GLY A 45 -3.270 -9.538 6.171 1.00 0.00 N ATOM 734 CA GLY A 45 -2.974 -8.162 5.800 1.00 0.00 C ATOM 735 C GLY A 45 -2.234 -7.369 6.870 1.00 0.00 C ATOM 736 O GLY A 45 -2.676 -6.295 7.266 1.00 0.00 O ATOM 0 H GLY A 45 -4.259 -9.727 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.377 -8.164 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.909 -7.652 5.568 1.00 0.00 H new ATOM 740 N ARG A 46 -1.118 -7.907 7.346 1.00 0.00 N ATOM 741 CA ARG A 46 -0.196 -7.165 8.193 1.00 0.00 C ATOM 742 C ARG A 46 0.978 -6.678 7.353 1.00 0.00 C ATOM 743 O ARG A 46 1.669 -5.720 7.691 1.00 0.00 O ATOM 744 CB ARG A 46 0.310 -8.049 9.334 1.00 0.00 C ATOM 745 CG ARG A 46 -0.642 -8.144 10.513 1.00 0.00 C ATOM 746 CD ARG A 46 -0.058 -9.002 11.629 1.00 0.00 C ATOM 747 NE ARG A 46 1.297 -8.584 11.999 1.00 0.00 N ATOM 748 CZ ARG A 46 1.589 -7.839 13.066 1.00 0.00 C ATOM 749 NH1 ARG A 46 0.629 -7.447 13.892 1.00 0.00 N ATOM 750 NH2 ARG A 46 2.848 -7.508 13.321 1.00 0.00 N ATOM 0 H ARG A 46 -0.828 -8.866 7.156 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.717 -6.310 8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.495 -9.052 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.267 -7.661 9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.854 -7.145 10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.591 -8.568 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.705 -8.946 12.504 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.041 -10.045 11.312 1.00 0.00 H new ATOM 0 HE ARG A 46 2.068 -8.883 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.339 -7.715 13.713 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.858 -6.877 14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.594 -7.823 12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.070 -6.938 14.137 1.00 0.00 H new ATOM 764 N THR A 47 1.171 -7.348 6.236 1.00 0.00 N ATOM 765 CA THR A 47 2.220 -7.034 5.305 1.00 0.00 C ATOM 766 C THR A 47 1.651 -7.199 3.914 1.00 0.00 C ATOM 767 O THR A 47 1.566 -8.303 3.376 1.00 0.00 O ATOM 768 CB THR A 47 3.502 -7.896 5.507 1.00 0.00 C ATOM 769 OG1 THR A 47 4.019 -8.359 4.249 1.00 0.00 O ATOM 770 CG2 THR A 47 3.247 -9.085 6.424 1.00 0.00 C ATOM 0 H THR A 47 0.591 -8.137 5.950 1.00 0.00 H new ATOM 0 HA THR A 47 2.550 -6.008 5.471 1.00 0.00 H new ATOM 0 HB THR A 47 4.242 -7.251 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.305 -8.803 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.166 -9.660 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.918 -8.728 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.474 -9.719 5.991 1.00 0.00 H new ATOM 778 N ALA A 48 1.245 -6.084 3.358 1.00 0.00 N ATOM 779 CA ALA A 48 0.550 -6.064 2.084 1.00 0.00 C ATOM 780 C ALA A 48 0.607 -4.678 1.469 1.00 0.00 C ATOM 781 O ALA A 48 0.656 -4.540 0.250 1.00 0.00 O ATOM 782 CB ALA A 48 -0.902 -6.495 2.275 1.00 0.00 C ATOM 0 H ALA A 48 1.385 -5.162 3.772 1.00 0.00 H new ATOM 0 HA ALA A 48 1.042 -6.763 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.416 -6.477 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.931 -7.505 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.397 -5.811 2.964 1.00 0.00 H new ATOM 788 N LEU A 49 0.619 -3.653 2.305 1.00 0.00 N ATOM 789 CA LEU A 49 0.802 -2.297 1.816 1.00 0.00 C ATOM 790 C LEU A 49 2.231 -1.827 2.071 1.00 0.00 C ATOM 791 O LEU A 49 2.560 -1.373 3.171 1.00 0.00 O ATOM 792 CB LEU A 49 -0.196 -1.344 2.474 1.00 0.00 C ATOM 793 CG LEU A 49 -0.134 0.101 1.979 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.529 0.180 0.510 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.028 0.994 2.824 1.00 0.00 C ATOM 0 H LEU A 49 0.505 -3.732 3.316 1.00 0.00 H new ATOM 0 HA LEU A 49 0.620 -2.295 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.203 -1.726 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.026 -1.351 3.551 1.00 0.00 H new ATOM 0 HG LEU A 49 0.892 0.455 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.479 1.216 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.155 -0.427 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.546 -0.193 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.971 2.019 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.058 0.643 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.697 0.962 3.862 1.00 0.00 H new ATOM 807 N ILE A 50 3.087 -1.971 1.068 1.00 0.00 N ATOM 808 CA ILE A 50 4.458 -1.486 1.163 1.00 0.00 C ATOM 809 C ILE A 50 4.539 -0.091 0.554 1.00 0.00 C ATOM 810 O ILE A 50 4.416 0.067 -0.658 1.00 0.00 O ATOM 811 CB ILE A 50 5.464 -2.399 0.432 1.00 0.00 C ATOM 812 CG1 ILE A 50 5.135 -3.890 0.627 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.871 -2.095 0.919 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.173 -4.370 2.064 1.00 0.00 C ATOM 0 H ILE A 50 2.857 -2.419 0.181 1.00 0.00 H new ATOM 0 HA ILE A 50 4.723 -1.475 2.220 1.00 0.00 H new ATOM 0 HB ILE A 50 5.394 -2.194 -0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.142 -4.084 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.840 -4.482 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.582 -2.740 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.110 -1.052 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.931 -2.275 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.928 -5.431 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.171 -4.214 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.447 -3.810 2.654 1.00 0.00 H new ATOM 826 N ILE A 51 4.757 0.914 1.389 1.00 0.00 N ATOM 827 CA ILE A 51 4.648 2.302 0.946 1.00 0.00 C ATOM 828 C ILE A 51 6.006 2.984 0.796 1.00 0.00 C ATOM 829 O ILE A 51 6.066 4.213 0.755 1.00 0.00 O ATOM 830 CB ILE A 51 3.806 3.134 1.930 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.517 3.217 3.283 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.414 2.532 2.084 1.00 0.00 C ATOM 833 CD1 ILE A 51 3.895 4.206 4.239 1.00 0.00 C ATOM 0 H ILE A 51 5.009 0.799 2.371 1.00 0.00 H new ATOM 0 HA ILE A 51 4.166 2.259 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 51 3.693 4.143 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.516 2.230 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.559 3.491 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.833 3.133 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.914 2.518 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.498 1.514 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.454 4.208 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.921 5.203 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.861 3.922 4.434 1.00 0.00 H new ATOM 845 N HIS A 52 7.084 2.196 0.710 1.00 0.00 N ATOM 846 CA HIS A 52 8.443 2.751 0.592 1.00 0.00 C ATOM 847 C HIS A 52 8.901 3.355 1.934 1.00 0.00 C ATOM 848 O HIS A 52 8.091 3.890 2.692 1.00 0.00 O ATOM 849 CB HIS A 52 8.477 3.799 -0.554 1.00 0.00 C ATOM 850 CG HIS A 52 9.727 4.626 -0.664 1.00 0.00 C ATOM 851 ND1 HIS A 52 9.970 5.727 0.123 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.785 4.533 -1.503 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.115 6.275 -0.224 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.634 5.571 -1.209 1.00 0.00 N ATOM 0 H HIS A 52 7.045 1.177 0.720 1.00 0.00 H new ATOM 0 HA HIS A 52 9.142 1.952 0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.328 3.277 -1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.631 4.474 -0.426 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.356 6.067 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.934 3.781 -2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.555 7.154 0.223 1.00 0.00 H new ATOM 863 N PRO A 53 10.205 3.224 2.266 1.00 0.00 N ATOM 864 CA PRO A 53 10.805 3.855 3.462 1.00 0.00 C ATOM 865 C PRO A 53 10.634 5.381 3.485 1.00 0.00 C ATOM 866 O PRO A 53 9.842 5.935 2.721 1.00 0.00 O ATOM 867 CB PRO A 53 12.292 3.487 3.363 1.00 0.00 C ATOM 868 CG PRO A 53 12.496 3.014 1.962 1.00 0.00 C ATOM 869 CD PRO A 53 11.190 2.414 1.535 1.00 0.00 C ATOM 0 HA PRO A 53 10.324 3.506 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.924 4.347 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.552 2.709 4.081 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.778 3.839 1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.299 2.278 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.048 2.480 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.123 1.359 1.801 1.00 0.00 H new ATOM 877 N ARG A 54 11.373 6.057 4.370 1.00 0.00 N ATOM 878 CA ARG A 54 11.282 7.519 4.533 1.00 0.00 C ATOM 879 C ARG A 54 9.980 7.927 5.227 1.00 0.00 C ATOM 880 O ARG A 54 9.979 8.748 6.147 1.00 0.00 O ATOM 881 CB ARG A 54 11.408 8.235 3.180 1.00 0.00 C ATOM 882 CG ARG A 54 10.896 9.668 3.200 1.00 0.00 C ATOM 883 CD ARG A 54 11.039 10.337 1.846 1.00 0.00 C ATOM 884 NE ARG A 54 12.438 10.416 1.423 1.00 0.00 N ATOM 885 CZ ARG A 54 12.868 11.101 0.365 1.00 0.00 C ATOM 886 NH1 ARG A 54 12.023 11.805 -0.379 1.00 0.00 N ATOM 887 NH2 ARG A 54 14.154 11.086 0.057 1.00 0.00 N ATOM 0 H ARG A 54 12.049 5.613 4.992 1.00 0.00 H new ATOM 0 HA ARG A 54 12.115 7.824 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.454 8.236 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.857 7.671 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.848 9.675 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.446 10.240 3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.466 9.781 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.615 11.340 1.890 1.00 0.00 H new ATOM 0 HE ARG A 54 13.131 9.912 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.031 11.826 -0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.366 12.325 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.809 10.552 0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.491 11.608 -0.752 1.00 0.00 H new ATOM 901 N LEU A 55 8.877 7.337 4.792 1.00 0.00 N ATOM 902 CA LEU A 55 7.564 7.645 5.331 1.00 0.00 C ATOM 903 C LEU A 55 7.387 7.109 6.742 1.00 0.00 C ATOM 904 O LEU A 55 6.337 7.303 7.346 1.00 0.00 O ATOM 905 CB LEU A 55 6.484 7.070 4.419 1.00 0.00 C ATOM 906 CG LEU A 55 6.046 7.992 3.287 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.188 7.240 2.280 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.280 9.169 3.861 1.00 0.00 C ATOM 0 H LEU A 55 8.868 6.631 4.055 1.00 0.00 H new ATOM 0 HA LEU A 55 7.472 8.730 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.850 6.138 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.612 6.821 5.024 1.00 0.00 H new ATOM 0 HG LEU A 55 6.931 8.358 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.887 7.917 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.761 6.414 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.301 6.849 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.967 9.829 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.401 8.806 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.921 9.719 4.550 1.00 0.00 H new ATOM 920 N LYS A 56 8.413 6.448 7.263 1.00 0.00 N ATOM 921 CA LYS A 56 8.369 5.850 8.593 1.00 0.00 C ATOM 922 C LYS A 56 7.861 6.851 9.634 1.00 0.00 C ATOM 923 O LYS A 56 6.939 6.551 10.390 1.00 0.00 O ATOM 924 CB LYS A 56 9.762 5.345 8.977 1.00 0.00 C ATOM 925 CG LYS A 56 9.768 4.395 10.161 1.00 0.00 C ATOM 926 CD LYS A 56 11.150 3.799 10.377 1.00 0.00 C ATOM 927 CE LYS A 56 11.118 2.678 11.400 1.00 0.00 C ATOM 928 NZ LYS A 56 12.450 2.043 11.578 1.00 0.00 N ATOM 0 H LYS A 56 9.299 6.311 6.776 1.00 0.00 H new ATOM 0 HA LYS A 56 7.673 5.011 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.205 4.841 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.397 6.200 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.453 4.926 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.046 3.596 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.536 3.419 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.835 4.578 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.774 3.071 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.396 1.923 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.392 1.318 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.746 1.600 10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.145 2.766 11.853 1.00 0.00 H new ATOM 942 N ASP A 57 8.443 8.046 9.638 1.00 0.00 N ATOM 943 CA ASP A 57 8.053 9.094 10.584 1.00 0.00 C ATOM 944 C ASP A 57 6.597 9.507 10.377 1.00 0.00 C ATOM 945 O ASP A 57 5.789 9.460 11.306 1.00 0.00 O ATOM 946 CB ASP A 57 8.967 10.314 10.432 1.00 0.00 C ATOM 947 CG ASP A 57 8.626 11.429 11.401 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.101 11.384 12.556 1.00 0.00 O ATOM 949 OD2 ASP A 57 7.897 12.364 11.006 1.00 0.00 O ATOM 0 H ASP A 57 9.188 8.316 8.996 1.00 0.00 H new ATOM 0 HA ASP A 57 8.156 8.692 11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.002 10.008 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.895 10.691 9.412 1.00 0.00 H new ATOM 954 N ARG A 58 6.273 9.895 9.146 1.00 0.00 N ATOM 955 CA ARG A 58 4.923 10.327 8.789 1.00 0.00 C ATOM 956 C ARG A 58 3.888 9.249 9.112 1.00 0.00 C ATOM 957 O ARG A 58 2.882 9.513 9.772 1.00 0.00 O ATOM 958 CB ARG A 58 4.877 10.665 7.292 1.00 0.00 C ATOM 959 CG ARG A 58 3.510 11.106 6.784 1.00 0.00 C ATOM 960 CD ARG A 58 3.121 12.478 7.312 1.00 0.00 C ATOM 961 NE ARG A 58 1.865 12.952 6.726 1.00 0.00 N ATOM 962 CZ ARG A 58 1.581 14.235 6.498 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.467 15.184 6.780 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.410 14.563 5.968 1.00 0.00 N ATOM 0 H ARG A 58 6.935 9.919 8.371 1.00 0.00 H new ATOM 0 HA ARG A 58 4.678 11.211 9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.598 11.457 7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.196 9.790 6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.517 11.126 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.759 10.376 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.022 12.435 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.916 13.191 7.092 1.00 0.00 H new ATOM 0 HE ARG A 58 1.162 12.256 6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.374 14.934 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.240 16.162 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.267 13.836 5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.187 15.542 5.791 1.00 0.00 H new ATOM 978 N SER A 59 4.151 8.034 8.646 1.00 0.00 N ATOM 979 CA SER A 59 3.223 6.921 8.801 1.00 0.00 C ATOM 980 C SER A 59 2.956 6.599 10.271 1.00 0.00 C ATOM 981 O SER A 59 1.861 6.173 10.621 1.00 0.00 O ATOM 982 CB SER A 59 3.757 5.684 8.081 1.00 0.00 C ATOM 983 OG SER A 59 4.161 6.001 6.763 1.00 0.00 O ATOM 0 H SER A 59 5.010 7.793 8.152 1.00 0.00 H new ATOM 0 HA SER A 59 2.276 7.221 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.601 5.272 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.987 4.913 8.054 1.00 0.00 H new ATOM 0 HG SER A 59 5.063 6.385 6.781 1.00 0.00 H new ATOM 989 N SER A 60 3.947 6.827 11.132 1.00 0.00 N ATOM 990 CA SER A 60 3.811 6.523 12.557 1.00 0.00 C ATOM 991 C SER A 60 2.665 7.306 13.199 1.00 0.00 C ATOM 992 O SER A 60 2.201 6.963 14.288 1.00 0.00 O ATOM 993 CB SER A 60 5.119 6.820 13.295 1.00 0.00 C ATOM 994 OG SER A 60 6.173 5.996 12.825 1.00 0.00 O ATOM 0 H SER A 60 4.851 7.220 10.869 1.00 0.00 H new ATOM 0 HA SER A 60 3.581 5.461 12.641 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.386 7.868 13.160 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.980 6.662 14.364 1.00 0.00 H new ATOM 0 HG SER A 60 6.376 6.224 11.894 1.00 0.00 H new ATOM 1000 N SER A 61 2.208 8.350 12.521 1.00 0.00 N ATOM 1001 CA SER A 61 1.140 9.188 13.038 1.00 0.00 C ATOM 1002 C SER A 61 -0.206 8.828 12.402 1.00 0.00 C ATOM 1003 O SER A 61 -1.236 9.410 12.743 1.00 0.00 O ATOM 1004 CB SER A 61 1.469 10.658 12.775 1.00 0.00 C ATOM 1005 OG SER A 61 2.751 10.989 13.290 1.00 0.00 O ATOM 0 H SER A 61 2.563 8.636 11.609 1.00 0.00 H new ATOM 0 HA SER A 61 1.059 9.018 14.112 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.441 10.855 11.703 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.712 11.293 13.236 1.00 0.00 H new ATOM 0 HG SER A 61 2.942 11.933 13.110 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.192 7.861 11.487 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.395 7.478 10.752 1.00 0.00 C ATOM 1013 C LEU A 62 -1.397 5.983 10.451 1.00 0.00 C ATOM 1014 O LEU A 62 -2.056 5.196 11.134 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.494 8.264 9.439 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.800 9.752 9.586 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.580 10.473 8.269 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -3.229 9.954 10.063 1.00 0.00 C ATOM 0 H LEU A 62 0.641 7.328 11.237 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.256 7.712 11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.553 8.156 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.270 7.811 8.822 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.121 10.171 10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.803 11.533 8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.542 10.354 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.237 10.050 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.432 11.020 10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.919 9.520 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.362 9.467 11.029 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.646 5.600 9.428 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.573 4.213 9.000 1.00 0.00 C ATOM 1032 C ALA A 63 0.454 3.448 9.826 1.00 0.00 C ATOM 1033 O ALA A 63 1.649 3.461 9.519 1.00 0.00 O ATOM 1034 CB ALA A 63 -0.233 4.142 7.520 1.00 0.00 C ATOM 0 H ALA A 63 -0.074 6.239 8.875 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.546 3.747 9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.180 3.099 7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.004 4.654 6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.730 4.622 7.344 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.023 2.794 10.877 1.00 0.00 N ATOM 1041 CA ASP A 64 0.845 2.075 11.804 1.00 0.00 C ATOM 1042 C ASP A 64 1.555 0.921 11.104 1.00 0.00 C ATOM 1043 O ASP A 64 0.919 0.102 10.435 1.00 0.00 O ATOM 1044 CB ASP A 64 0.033 1.546 12.991 1.00 0.00 C ATOM 1045 CG ASP A 64 0.911 0.964 14.085 1.00 0.00 C ATOM 1046 OD1 ASP A 64 1.588 1.749 14.784 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.902 -0.271 14.275 1.00 0.00 O ATOM 0 H ASP A 64 -1.015 2.746 11.111 1.00 0.00 H new ATOM 0 HA ASP A 64 1.599 2.772 12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.568 2.355 13.405 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.660 0.781 12.641 1.00 0.00 H new ATOM 1052 N PRO A 65 2.890 0.866 11.213 1.00 0.00 N ATOM 1053 CA PRO A 65 3.692 -0.212 10.643 1.00 0.00 C ATOM 1054 C PRO A 65 3.563 -1.499 11.448 1.00 0.00 C ATOM 1055 O PRO A 65 3.888 -1.534 12.636 1.00 0.00 O ATOM 1056 CB PRO A 65 5.135 0.318 10.712 1.00 0.00 C ATOM 1057 CG PRO A 65 5.028 1.741 11.146 1.00 0.00 C ATOM 1058 CD PRO A 65 3.732 1.857 11.888 1.00 0.00 C ATOM 0 HA PRO A 65 3.373 -0.462 9.631 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.731 -0.262 11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.626 0.241 9.742 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.868 2.017 11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.046 2.412 10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.850 1.634 12.948 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.313 2.861 11.818 1.00 0.00 H new ATOM 1066 N ALA A 66 3.072 -2.551 10.800 1.00 0.00 N ATOM 1067 CA ALA A 66 2.939 -3.853 11.443 1.00 0.00 C ATOM 1068 C ALA A 66 4.304 -4.364 11.883 1.00 0.00 C ATOM 1069 O ALA A 66 4.458 -4.922 12.967 1.00 0.00 O ATOM 1070 CB ALA A 66 2.276 -4.842 10.502 1.00 0.00 C ATOM 0 H ALA A 66 2.760 -2.527 9.829 1.00 0.00 H new ATOM 0 HA ALA A 66 2.309 -3.745 12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.184 -5.809 10.996 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.285 -4.478 10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.882 -4.951 9.603 1.00 0.00 H new ATOM 1076 N SER A 67 5.288 -4.162 11.026 1.00 0.00 N ATOM 1077 CA SER A 67 6.666 -4.459 11.355 1.00 0.00 C ATOM 1078 C SER A 67 7.514 -3.236 11.043 1.00 0.00 C ATOM 1079 O SER A 67 6.995 -2.223 10.575 1.00 0.00 O ATOM 1080 CB SER A 67 7.156 -5.690 10.582 1.00 0.00 C ATOM 1081 OG SER A 67 8.500 -6.015 10.901 1.00 0.00 O ATOM 0 H SER A 67 5.153 -3.789 10.086 1.00 0.00 H new ATOM 0 HA SER A 67 6.751 -4.694 12.416 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.513 -6.541 10.809 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.072 -5.503 9.511 1.00 0.00 H new ATOM 0 HG SER A 67 8.776 -6.805 10.391 1.00 0.00 H new ATOM 1087 N ASP A 68 8.804 -3.330 11.293 1.00 0.00 N ATOM 1088 CA ASP A 68 9.691 -2.187 11.108 1.00 0.00 C ATOM 1089 C ASP A 68 9.962 -1.968 9.630 1.00 0.00 C ATOM 1090 O ASP A 68 9.582 -0.952 9.050 1.00 0.00 O ATOM 1091 CB ASP A 68 11.017 -2.386 11.843 1.00 0.00 C ATOM 1092 CG ASP A 68 11.791 -1.089 11.966 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.339 -0.199 12.719 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.840 -0.942 11.309 1.00 0.00 O ATOM 0 H ASP A 68 9.265 -4.178 11.623 1.00 0.00 H new ATOM 0 HA ASP A 68 9.193 -1.311 11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.825 -2.791 12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.621 -3.121 11.311 1.00 0.00 H new ATOM 1099 N ILE A 69 10.612 -2.950 9.038 1.00 0.00 N ATOM 1100 CA ILE A 69 10.943 -2.934 7.626 1.00 0.00 C ATOM 1101 C ILE A 69 10.866 -4.347 7.078 1.00 0.00 C ATOM 1102 O ILE A 69 10.988 -5.315 7.827 1.00 0.00 O ATOM 1103 CB ILE A 69 12.358 -2.369 7.363 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.334 -2.869 8.433 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.339 -0.846 7.317 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.786 -2.576 8.122 1.00 0.00 C ATOM 0 H ILE A 69 10.928 -3.788 9.526 1.00 0.00 H new ATOM 0 HA ILE A 69 10.225 -2.283 7.127 1.00 0.00 H new ATOM 0 HB ILE A 69 12.695 -2.726 6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.077 -2.411 9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.208 -3.945 8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.347 -0.475 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.677 -0.514 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.980 -0.458 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.415 -2.960 8.925 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.061 -3.057 7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.929 -1.499 8.033 1.00 0.00 H new ATOM 1118 N LYS A 70 10.650 -4.467 5.786 1.00 0.00 N ATOM 1119 CA LYS A 70 10.588 -5.769 5.157 1.00 0.00 C ATOM 1120 C LYS A 70 11.523 -5.826 3.963 1.00 0.00 C ATOM 1121 O LYS A 70 11.265 -5.209 2.929 1.00 0.00 O ATOM 1122 CB LYS A 70 9.160 -6.106 4.719 1.00 0.00 C ATOM 1123 CG LYS A 70 9.021 -7.533 4.207 1.00 0.00 C ATOM 1124 CD LYS A 70 7.613 -7.834 3.721 1.00 0.00 C ATOM 1125 CE LYS A 70 7.492 -9.285 3.276 1.00 0.00 C ATOM 1126 NZ LYS A 70 6.146 -9.604 2.731 1.00 0.00 N ATOM 0 H LYS A 70 10.515 -3.680 5.151 1.00 0.00 H new ATOM 0 HA LYS A 70 10.903 -6.509 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.483 -5.959 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.852 -5.413 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.727 -7.695 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.286 -8.230 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.898 -7.633 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.361 -7.173 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.246 -9.493 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.702 -9.940 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.027 -10.636 2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.416 -9.202 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.052 -9.198 1.778 1.00 0.00 H new ATOM 1140 N THR A 71 12.619 -6.542 4.126 1.00 0.00 N ATOM 1141 CA THR A 71 13.550 -6.782 3.041 1.00 0.00 C ATOM 1142 C THR A 71 13.079 -7.970 2.207 1.00 0.00 C ATOM 1143 O THR A 71 13.017 -9.093 2.714 1.00 0.00 O ATOM 1144 CB THR A 71 14.956 -7.073 3.593 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.874 -8.036 4.652 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.622 -5.810 4.117 1.00 0.00 C ATOM 0 H THR A 71 12.888 -6.972 5.011 1.00 0.00 H new ATOM 0 HA THR A 71 13.591 -5.889 2.417 1.00 0.00 H new ATOM 0 HB THR A 71 15.559 -7.466 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.270 -8.762 4.388 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.613 -6.053 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.713 -5.084 3.309 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.018 -5.386 4.919 1.00 0.00 H new ATOM 1154 N CYS A 72 12.743 -7.735 0.941 1.00 0.00 N ATOM 1155 CA CYS A 72 12.183 -8.797 0.115 1.00 0.00 C ATOM 1156 C CYS A 72 12.078 -8.430 -1.363 1.00 0.00 C ATOM 1157 O CYS A 72 11.185 -7.684 -1.776 1.00 0.00 O ATOM 1158 CB CYS A 72 10.802 -9.210 0.631 1.00 0.00 C ATOM 1159 SG CYS A 72 9.978 -10.459 -0.386 1.00 0.00 S ATOM 0 H CYS A 72 12.847 -6.835 0.473 1.00 0.00 H new ATOM 0 HA CYS A 72 12.882 -9.630 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.905 -9.593 1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.167 -8.326 0.687 1.00 0.00 H new ATOM 0 HG CYS A 72 10.857 -11.060 -1.132 1.00 0.00 H new ATOM 1165 N ASP A 73 13.023 -8.951 -2.131 1.00 0.00 N ATOM 1166 CA ASP A 73 12.890 -9.114 -3.580 1.00 0.00 C ATOM 1167 C ASP A 73 12.522 -7.838 -4.336 1.00 0.00 C ATOM 1168 O ASP A 73 13.385 -7.048 -4.710 1.00 0.00 O ATOM 1169 CB ASP A 73 11.847 -10.196 -3.890 1.00 0.00 C ATOM 1170 CG ASP A 73 12.227 -11.563 -3.359 1.00 0.00 C ATOM 1171 OD1 ASP A 73 12.175 -11.761 -2.127 1.00 0.00 O ATOM 1172 OD2 ASP A 73 12.565 -12.447 -4.174 1.00 0.00 O ATOM 0 H ASP A 73 13.917 -9.278 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 73 13.881 -9.402 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.889 -9.901 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.708 -10.259 -4.969 1.00 0.00 H new ATOM 1177 N HIS A 74 11.223 -7.637 -4.543 1.00 0.00 N ATOM 1178 CA HIS A 74 10.745 -6.667 -5.527 1.00 0.00 C ATOM 1179 C HIS A 74 10.455 -5.304 -4.915 1.00 0.00 C ATOM 1180 O HIS A 74 9.910 -4.427 -5.587 1.00 0.00 O ATOM 1181 CB HIS A 74 9.488 -7.189 -6.233 1.00 0.00 C ATOM 1182 CG HIS A 74 9.695 -8.467 -6.990 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.748 -9.465 -7.047 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.745 -8.909 -7.725 1.00 0.00 C ATOM 1185 CE1 HIS A 74 9.206 -10.464 -7.777 1.00 0.00 C ATOM 1186 NE2 HIS A 74 10.412 -10.153 -8.202 1.00 0.00 N ATOM 0 H HIS A 74 10.483 -8.131 -4.044 1.00 0.00 H new ATOM 0 HA HIS A 74 11.550 -6.539 -6.251 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.705 -7.342 -5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.128 -6.425 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.670 -8.381 -7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.680 -11.383 -7.990 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.003 -10.740 -8.790 1.00 0.00 H new ATOM 1195 N TYR A 75 10.812 -5.111 -3.657 1.00 0.00 N ATOM 1196 CA TYR A 75 10.665 -3.800 -3.037 1.00 0.00 C ATOM 1197 C TYR A 75 11.882 -2.956 -3.398 1.00 0.00 C ATOM 1198 O TYR A 75 12.598 -2.462 -2.529 1.00 0.00 O ATOM 1199 CB TYR A 75 10.522 -3.909 -1.511 1.00 0.00 C ATOM 1200 CG TYR A 75 9.504 -4.933 -1.048 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.417 -5.289 -1.839 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.647 -5.556 0.183 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.505 -6.237 -1.414 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.742 -6.507 0.612 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.673 -6.843 -0.187 1.00 0.00 C ATOM 1206 OH TYR A 75 6.780 -7.809 0.232 1.00 0.00 O ATOM 0 H TYR A 75 11.201 -5.832 -3.050 1.00 0.00 H new ATOM 0 HA TYR A 75 9.755 -3.330 -3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.493 -4.162 -1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.244 -2.933 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.283 -4.817 -2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.481 -5.293 0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.665 -6.502 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.873 -6.985 1.571 1.00 0.00 H new ATOM 0 HH TYR A 75 7.229 -8.680 0.260 1.00 0.00 H new ATOM 1216 N GLN A 76 12.097 -2.803 -4.705 1.00 0.00 N ATOM 1217 CA GLN A 76 13.308 -2.212 -5.266 1.00 0.00 C ATOM 1218 C GLN A 76 13.419 -0.726 -5.025 1.00 0.00 C ATOM 1219 O GLN A 76 14.135 -0.041 -5.749 1.00 0.00 O ATOM 1220 CB GLN A 76 13.406 -2.523 -6.754 1.00 0.00 C ATOM 1221 CG GLN A 76 12.248 -1.988 -7.574 1.00 0.00 C ATOM 1222 CD GLN A 76 12.222 -2.557 -8.978 1.00 0.00 C ATOM 1223 OE1 GLN A 76 11.609 -3.594 -9.233 1.00 0.00 O ATOM 1224 NE2 GLN A 76 12.905 -1.890 -9.895 1.00 0.00 N ATOM 0 H GLN A 76 11.422 -3.092 -5.413 1.00 0.00 H new ATOM 0 HA GLN A 76 14.147 -2.668 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.335 -2.106 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.462 -3.604 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.310 -2.225 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.315 -0.901 -7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.399 -1.035 -9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.937 -2.232 -10.856 1.00 0.00 H new ATOM 1233 N ASN A 77 12.688 -0.230 -4.038 1.00 0.00 N ATOM 1234 CA ASN A 77 12.884 1.121 -3.559 1.00 0.00 C ATOM 1235 C ASN A 77 14.378 1.412 -3.451 1.00 0.00 C ATOM 1236 O ASN A 77 15.066 0.860 -2.592 1.00 0.00 O ATOM 1237 CB ASN A 77 12.210 1.324 -2.195 1.00 0.00 C ATOM 1238 CG ASN A 77 10.693 1.249 -2.260 1.00 0.00 C ATOM 1239 OD1 ASN A 77 10.040 0.880 -1.288 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.121 1.609 -3.400 1.00 0.00 N ATOM 0 H ASN A 77 11.953 -0.748 -3.555 1.00 0.00 H new ATOM 0 HA ASN A 77 12.427 1.811 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.575 0.568 -1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.503 2.294 -1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.105 1.585 -3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.696 1.910 -4.187 1.00 0.00 H new ATOM 1247 N PHE A 78 14.841 2.220 -4.406 1.00 0.00 N ATOM 1248 CA PHE A 78 16.234 2.695 -4.540 1.00 0.00 C ATOM 1249 C PHE A 78 17.085 2.604 -3.267 1.00 0.00 C ATOM 1250 O PHE A 78 18.218 2.137 -3.350 1.00 0.00 O ATOM 1251 CB PHE A 78 16.253 4.130 -5.074 1.00 0.00 C ATOM 1252 CG PHE A 78 15.527 4.291 -6.376 1.00 0.00 C ATOM 1253 CD1 PHE A 78 16.084 3.829 -7.557 1.00 0.00 C ATOM 1254 CD2 PHE A 78 14.286 4.906 -6.419 1.00 0.00 C ATOM 1255 CE1 PHE A 78 15.417 3.974 -8.756 1.00 0.00 C ATOM 1256 CE2 PHE A 78 13.613 5.054 -7.616 1.00 0.00 C ATOM 1257 CZ PHE A 78 14.181 4.588 -8.786 1.00 0.00 C ATOM 0 H PHE A 78 14.235 2.581 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 78 16.698 2.007 -5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 78 15.805 4.792 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 78 17.288 4.449 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 78 17.052 3.350 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 78 13.840 5.274 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.861 3.608 -9.670 1.00 0.00 H new ATOM 0 HE2 PHE A 78 12.645 5.533 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.658 4.704 -9.724 1.00 0.00 H new ATOM 1267 N PRO A 79 16.596 3.105 -2.098 1.00 0.00 N ATOM 1268 CA PRO A 79 17.223 2.902 -0.795 1.00 0.00 C ATOM 1269 C PRO A 79 18.075 1.635 -0.700 1.00 0.00 C ATOM 1270 O PRO A 79 19.257 1.730 -0.377 1.00 0.00 O ATOM 1271 CB PRO A 79 16.008 2.821 0.132 1.00 0.00 C ATOM 1272 CG PRO A 79 14.904 3.559 -0.575 1.00 0.00 C ATOM 1273 CD PRO A 79 15.418 3.956 -1.936 1.00 0.00 C ATOM 0 HA PRO A 79 17.933 3.693 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.728 1.785 0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.224 3.273 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.021 2.928 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.607 4.440 -0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.678 3.776 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 79 15.675 5.014 -1.979 1.00 0.00 H new ATOM 1281 N LEU A 80 17.453 0.477 -0.985 1.00 0.00 N ATOM 1282 CA LEU A 80 18.137 -0.831 -1.064 1.00 0.00 C ATOM 1283 C LEU A 80 19.091 -1.064 0.124 1.00 0.00 C ATOM 1284 O LEU A 80 20.183 -0.504 0.199 1.00 0.00 O ATOM 1285 CB LEU A 80 18.826 -0.944 -2.444 1.00 0.00 C ATOM 1286 CG LEU A 80 19.610 -2.227 -2.762 1.00 0.00 C ATOM 1287 CD1 LEU A 80 21.006 -2.187 -2.168 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.861 -3.458 -2.279 1.00 0.00 C ATOM 0 H LEU A 80 16.451 0.420 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 80 17.405 -1.635 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.059 -0.824 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.511 -0.102 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 80 19.708 -2.288 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.532 -3.110 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.552 -1.338 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.938 -2.084 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.438 -4.352 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.716 -3.396 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.891 -3.511 -2.773 1.00 0.00 H new ATOM 1300 N TYR A 81 18.661 -1.925 1.042 1.00 0.00 N ATOM 1301 CA TYR A 81 19.366 -2.143 2.303 1.00 0.00 C ATOM 1302 C TYR A 81 20.812 -2.565 2.063 1.00 0.00 C ATOM 1303 O TYR A 81 21.076 -3.663 1.573 1.00 0.00 O ATOM 1304 CB TYR A 81 18.639 -3.207 3.133 1.00 0.00 C ATOM 1305 CG TYR A 81 19.096 -3.279 4.573 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.566 -2.421 5.528 1.00 0.00 C ATOM 1307 CD2 TYR A 81 20.049 -4.203 4.979 1.00 0.00 C ATOM 1308 CE1 TYR A 81 18.977 -2.475 6.844 1.00 0.00 C ATOM 1309 CE2 TYR A 81 20.467 -4.265 6.294 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.926 -3.400 7.223 1.00 0.00 C ATOM 1311 OH TYR A 81 20.340 -3.456 8.533 1.00 0.00 O ATOM 0 H TYR A 81 17.818 -2.489 0.934 1.00 0.00 H new ATOM 0 HA TYR A 81 19.376 -1.201 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.569 -3.002 3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.786 -4.181 2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.819 -1.698 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.470 -4.885 4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.558 -1.797 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 81 21.213 -4.986 6.593 1.00 0.00 H new ATOM 0 HH TYR A 81 21.011 -4.163 8.634 1.00 0.00 H new ATOM 1321 N LEU A 82 21.738 -1.676 2.402 1.00 0.00 N ATOM 1322 CA LEU A 82 23.158 -1.944 2.232 1.00 0.00 C ATOM 1323 C LEU A 82 23.704 -2.728 3.420 1.00 0.00 C ATOM 1324 O LEU A 82 23.006 -2.938 4.413 1.00 0.00 O ATOM 1325 CB LEU A 82 23.934 -0.634 2.067 1.00 0.00 C ATOM 1326 CG LEU A 82 23.586 0.182 0.817 1.00 0.00 C ATOM 1327 CD1 LEU A 82 24.383 1.478 0.784 1.00 0.00 C ATOM 1328 CD2 LEU A 82 23.847 -0.631 -0.440 1.00 0.00 C ATOM 0 H LEU A 82 21.528 -0.760 2.798 1.00 0.00 H new ATOM 0 HA LEU A 82 23.285 -2.544 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.758 -0.014 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.000 -0.863 2.046 1.00 0.00 H new ATOM 0 HG LEU A 82 22.525 0.430 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 82 24.122 2.043 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.150 2.071 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.449 1.250 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 82 23.594 -0.036 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.900 -0.909 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 82 23.234 -1.532 -0.424 1.00 0.00 H new ATOM 1340 N GLY A 83 24.956 -3.143 3.318 1.00 0.00 N ATOM 1341 CA GLY A 83 25.564 -3.938 4.365 1.00 0.00 C ATOM 1342 C GLY A 83 26.911 -4.483 3.947 1.00 0.00 C ATOM 1343 O GLY A 83 27.847 -3.719 3.715 1.00 0.00 O ATOM 0 H GLY A 83 25.566 -2.943 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 83 25.681 -3.330 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 83 24.902 -4.764 4.624 1.00 0.00 H new ATOM 1347 N GLY A 84 27.003 -5.796 3.823 1.00 0.00 N ATOM 1348 CA GLY A 84 28.249 -6.418 3.429 1.00 0.00 C ATOM 1349 C GLY A 84 28.199 -6.980 2.024 1.00 0.00 C ATOM 1350 O GLY A 84 28.638 -6.333 1.072 1.00 0.00 O ATOM 0 H GLY A 84 26.234 -6.445 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 84 29.054 -5.686 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 84 28.489 -7.219 4.129 1.00 0.00 H new ATOM 1354 N GLU A 85 27.656 -8.185 1.895 1.00 0.00 N ATOM 1355 CA GLU A 85 27.594 -8.872 0.618 1.00 0.00 C ATOM 1356 C GLU A 85 26.348 -8.468 -0.174 1.00 0.00 C ATOM 1357 O GLU A 85 26.148 -7.286 -0.466 1.00 0.00 O ATOM 1358 CB GLU A 85 27.614 -10.380 0.854 1.00 0.00 C ATOM 1359 CG GLU A 85 28.926 -10.881 1.432 1.00 0.00 C ATOM 1360 CD GLU A 85 30.098 -10.619 0.511 1.00 0.00 C ATOM 1361 OE1 GLU A 85 30.145 -11.229 -0.577 1.00 0.00 O ATOM 1362 OE2 GLU A 85 30.980 -9.813 0.870 1.00 0.00 O ATOM 0 H GLU A 85 27.249 -8.708 2.671 1.00 0.00 H new ATOM 0 HA GLU A 85 28.463 -8.585 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 85 26.802 -10.645 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 85 27.422 -10.891 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 85 29.106 -10.397 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 85 28.850 -11.951 1.624 1.00 0.00 H new ATOM 1369 N THR A 86 25.519 -9.449 -0.525 1.00 0.00 N ATOM 1370 CA THR A 86 24.312 -9.188 -1.293 1.00 0.00 C ATOM 1371 C THR A 86 23.337 -8.345 -0.473 1.00 0.00 C ATOM 1372 O THR A 86 23.410 -8.312 0.757 1.00 0.00 O ATOM 1373 CB THR A 86 23.634 -10.501 -1.748 1.00 0.00 C ATOM 1374 OG1 THR A 86 22.602 -10.219 -2.703 1.00 0.00 O ATOM 1375 CG2 THR A 86 23.046 -11.263 -0.564 1.00 0.00 C ATOM 0 H THR A 86 25.664 -10.430 -0.288 1.00 0.00 H new ATOM 0 HA THR A 86 24.598 -8.635 -2.187 1.00 0.00 H new ATOM 0 HB THR A 86 24.397 -11.127 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.180 -11.057 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 86 22.577 -12.181 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 86 23.840 -11.510 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.300 -10.643 -0.067 1.00 0.00 H new ATOM 1383 N HIS A 87 22.431 -7.657 -1.151 1.00 0.00 N ATOM 1384 CA HIS A 87 21.535 -6.727 -0.479 1.00 0.00 C ATOM 1385 C HIS A 87 20.085 -7.077 -0.755 1.00 0.00 C ATOM 1386 O HIS A 87 19.783 -7.828 -1.686 1.00 0.00 O ATOM 1387 CB HIS A 87 21.817 -5.291 -0.927 1.00 0.00 C ATOM 1388 CG HIS A 87 23.233 -4.858 -0.717 1.00 0.00 C ATOM 1389 ND1 HIS A 87 24.014 -4.337 -1.724 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.006 -4.855 0.394 1.00 0.00 C ATOM 1391 CE1 HIS A 87 25.204 -4.033 -1.245 1.00 0.00 C ATOM 1392 NE2 HIS A 87 25.224 -4.337 0.037 1.00 0.00 N ATOM 0 H HIS A 87 22.297 -7.724 -2.160 1.00 0.00 H new ATOM 0 HA HIS A 87 21.714 -6.806 0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.571 -5.196 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.156 -4.615 -0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 87 23.717 -5.197 1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.022 -3.608 -1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.019 -4.208 0.663 1.00 0.00 H new ATOM 1401 N GLU A 88 19.189 -6.512 0.037 1.00 0.00 N ATOM 1402 CA GLU A 88 17.774 -6.791 -0.097 1.00 0.00 C ATOM 1403 C GLU A 88 17.004 -5.510 -0.324 1.00 0.00 C ATOM 1404 O GLU A 88 17.188 -4.520 0.389 1.00 0.00 O ATOM 1405 CB GLU A 88 17.225 -7.495 1.141 1.00 0.00 C ATOM 1406 CG GLU A 88 17.642 -8.949 1.278 1.00 0.00 C ATOM 1407 CD GLU A 88 17.177 -9.805 0.116 1.00 0.00 C ATOM 1408 OE1 GLU A 88 16.000 -9.680 -0.293 1.00 0.00 O ATOM 1409 OE2 GLU A 88 17.991 -10.601 -0.402 1.00 0.00 O ATOM 0 H GLU A 88 19.421 -5.855 0.782 1.00 0.00 H new ATOM 0 HA GLU A 88 17.651 -7.451 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.553 -6.952 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.136 -7.443 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.728 -9.005 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.237 -9.353 2.206 1.00 0.00 H new ATOM 1416 N HIS A 89 16.150 -5.528 -1.326 1.00 0.00 N ATOM 1417 CA HIS A 89 15.296 -4.392 -1.616 1.00 0.00 C ATOM 1418 C HIS A 89 14.177 -4.358 -0.576 1.00 0.00 C ATOM 1419 O HIS A 89 13.442 -5.337 -0.432 1.00 0.00 O ATOM 1420 CB HIS A 89 14.718 -4.518 -3.030 1.00 0.00 C ATOM 1421 CG HIS A 89 15.751 -4.660 -4.108 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.308 -3.585 -4.770 1.00 0.00 N ATOM 1423 CD2 HIS A 89 16.324 -5.764 -4.645 1.00 0.00 C ATOM 1424 CE1 HIS A 89 17.176 -4.026 -5.664 1.00 0.00 C ATOM 1425 NE2 HIS A 89 17.205 -5.342 -5.607 1.00 0.00 N ATOM 0 H HIS A 89 16.028 -6.320 -1.957 1.00 0.00 H new ATOM 0 HA HIS A 89 15.868 -3.465 -1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.054 -5.382 -3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.108 -3.639 -3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.124 -6.788 -4.367 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.763 -3.411 -6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.788 -5.948 -6.184 1.00 0.00 H new ATOM 1434 N TYR A 90 14.049 -3.259 0.160 1.00 0.00 N ATOM 1435 CA TYR A 90 13.151 -3.247 1.309 1.00 0.00 C ATOM 1436 C TYR A 90 12.119 -2.133 1.248 1.00 0.00 C ATOM 1437 O TYR A 90 12.312 -1.101 0.600 1.00 0.00 O ATOM 1438 CB TYR A 90 13.942 -3.133 2.618 1.00 0.00 C ATOM 1439 CG TYR A 90 14.531 -1.760 2.897 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.761 -1.390 2.374 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.863 -0.846 3.709 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.308 -0.149 2.641 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.406 0.394 3.983 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.630 0.737 3.447 1.00 0.00 C ATOM 1445 OH TYR A 90 16.185 1.966 3.728 1.00 0.00 O ATOM 0 H TYR A 90 14.543 -2.384 -0.012 1.00 0.00 H new ATOM 0 HA TYR A 90 12.614 -4.195 1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.287 -3.405 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.752 -3.862 2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.301 -2.084 1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.905 -1.111 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.264 0.124 2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.875 1.092 4.614 1.00 0.00 H new ATOM 0 HH TYR A 90 15.580 2.473 4.309 1.00 0.00 H new ATOM 1455 N GLY A 91 11.028 -2.371 1.953 1.00 0.00 N ATOM 1456 CA GLY A 91 10.002 -1.379 2.153 1.00 0.00 C ATOM 1457 C GLY A 91 9.390 -1.548 3.526 1.00 0.00 C ATOM 1458 O GLY A 91 9.801 -2.435 4.270 1.00 0.00 O ATOM 0 H GLY A 91 10.833 -3.265 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.425 -0.379 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.233 -1.478 1.387 1.00 0.00 H new ATOM 1462 N ILE A 92 8.425 -0.719 3.880 1.00 0.00 N ATOM 1463 CA ILE A 92 7.799 -0.825 5.191 1.00 0.00 C ATOM 1464 C ILE A 92 6.419 -1.477 5.080 1.00 0.00 C ATOM 1465 O ILE A 92 5.547 -0.982 4.360 1.00 0.00 O ATOM 1466 CB ILE A 92 7.683 0.557 5.867 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.037 1.268 5.829 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.203 0.404 7.307 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.010 2.673 6.388 1.00 0.00 C ATOM 0 H ILE A 92 8.059 0.027 3.289 1.00 0.00 H new ATOM 0 HA ILE A 92 8.435 -1.456 5.812 1.00 0.00 H new ATOM 0 HB ILE A 92 6.953 1.157 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.761 0.678 6.391 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.388 1.305 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.126 1.387 7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.226 -0.079 7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.914 -0.206 7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.007 3.109 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.312 3.280 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.691 2.644 7.430 1.00 0.00 H new ATOM 1481 N PRO A 93 6.212 -2.604 5.785 1.00 0.00 N ATOM 1482 CA PRO A 93 4.959 -3.363 5.731 1.00 0.00 C ATOM 1483 C PRO A 93 3.829 -2.716 6.527 1.00 0.00 C ATOM 1484 O PRO A 93 4.022 -2.258 7.656 1.00 0.00 O ATOM 1485 CB PRO A 93 5.343 -4.713 6.335 1.00 0.00 C ATOM 1486 CG PRO A 93 6.470 -4.417 7.262 1.00 0.00 C ATOM 1487 CD PRO A 93 7.197 -3.227 6.693 1.00 0.00 C ATOM 0 HA PRO A 93 4.569 -3.425 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.503 -5.160 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.644 -5.420 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.100 -4.202 8.264 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.138 -5.275 7.346 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.508 -2.537 7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.098 -3.528 6.158 1.00 0.00 H new ATOM 1495 N HIS A 94 2.650 -2.666 5.922 1.00 0.00 N ATOM 1496 CA HIS A 94 1.474 -2.107 6.573 1.00 0.00 C ATOM 1497 C HIS A 94 0.255 -2.967 6.287 1.00 0.00 C ATOM 1498 O HIS A 94 0.271 -3.799 5.373 1.00 0.00 O ATOM 1499 CB HIS A 94 1.194 -0.680 6.089 1.00 0.00 C ATOM 1500 CG HIS A 94 2.290 0.291 6.378 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.400 0.418 5.577 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.446 1.183 7.382 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.194 1.342 6.073 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.640 1.827 7.171 1.00 0.00 N ATOM 0 H HIS A 94 2.483 -3.008 4.976 1.00 0.00 H new ATOM 0 HA HIS A 94 1.674 -2.086 7.644 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.017 -0.701 5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.276 -0.324 6.556 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.580 -0.121 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.760 1.357 8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.140 1.652 5.654 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.791 -2.740 7.062 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.051 -3.413 6.856 1.00 0.00 C ATOM 1515 C GLY A 95 -3.083 -2.916 7.840 1.00 0.00 C ATOM 1516 O GLY A 95 -2.725 -2.374 8.886 1.00 0.00 O ATOM 0 H GLY A 95 -0.787 -2.087 7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.399 -3.242 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.919 -4.489 6.971 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.356 -3.090 7.518 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.429 -2.535 8.335 1.00 0.00 C ATOM 1522 C PHE A 96 -6.606 -3.497 8.387 1.00 0.00 C ATOM 1523 O PHE A 96 -6.733 -4.377 7.539 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.872 -1.177 7.777 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.760 -0.170 7.709 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.287 0.431 8.863 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.176 0.163 6.498 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.253 1.343 8.812 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.144 1.077 6.439 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.682 1.667 7.598 1.00 0.00 C ATOM 0 H PHE A 96 -4.673 -3.609 6.699 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.056 -2.390 9.349 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.285 -1.320 6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.674 -0.781 8.400 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.733 0.183 9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.533 -0.298 5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.891 1.802 9.720 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.699 1.330 5.488 1.00 0.00 H new ATOM 0 HZ PHE A 96 -1.874 2.382 7.555 1.00 0.00 H new ATOM 1540 N SER A 97 -7.452 -3.333 9.392 1.00 0.00 N ATOM 1541 CA SER A 97 -8.607 -4.201 9.573 1.00 0.00 C ATOM 1542 C SER A 97 -9.810 -3.721 8.755 1.00 0.00 C ATOM 1543 O SER A 97 -10.712 -4.500 8.449 1.00 0.00 O ATOM 1544 CB SER A 97 -8.969 -4.262 11.054 1.00 0.00 C ATOM 1545 OG SER A 97 -7.812 -4.479 11.844 1.00 0.00 O ATOM 0 H SER A 97 -7.360 -2.603 10.099 1.00 0.00 H new ATOM 0 HA SER A 97 -8.344 -5.197 9.215 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.451 -3.332 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.688 -5.063 11.225 1.00 0.00 H new ATOM 0 HG SER A 97 -8.064 -4.513 12.790 1.00 0.00 H new ATOM 1551 N SER A 98 -9.826 -2.437 8.404 1.00 0.00 N ATOM 1552 CA SER A 98 -10.951 -1.868 7.669 1.00 0.00 C ATOM 1553 C SER A 98 -10.466 -0.968 6.537 1.00 0.00 C ATOM 1554 O SER A 98 -9.631 -0.081 6.743 1.00 0.00 O ATOM 1555 CB SER A 98 -11.867 -1.083 8.611 1.00 0.00 C ATOM 1556 OG SER A 98 -13.009 -0.607 7.922 1.00 0.00 O ATOM 0 H SER A 98 -9.078 -1.776 8.615 1.00 0.00 H new ATOM 0 HA SER A 98 -11.517 -2.691 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.176 -1.720 9.439 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.320 -0.244 9.041 1.00 0.00 H new ATOM 0 HG SER A 98 -13.655 -0.251 8.567 1.00 0.00 H new ATOM 1562 N ARG A 99 -10.982 -1.217 5.334 1.00 0.00 N ATOM 1563 CA ARG A 99 -10.573 -0.469 4.150 1.00 0.00 C ATOM 1564 C ARG A 99 -10.892 1.017 4.264 1.00 0.00 C ATOM 1565 O ARG A 99 -10.184 1.845 3.699 1.00 0.00 O ATOM 1566 CB ARG A 99 -11.177 -1.062 2.876 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.687 -0.985 2.769 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.161 -1.690 1.509 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.576 -1.452 1.233 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.346 -2.282 0.531 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.859 -3.430 0.075 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -16.609 -1.964 0.285 1.00 0.00 N ATOM 0 H ARG A 99 -11.686 -1.933 5.155 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.489 -0.560 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.743 -0.550 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.879 -2.108 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.145 -1.444 3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.005 0.057 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.567 -1.350 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.989 -2.762 1.610 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.999 -0.600 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.888 -3.682 0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.456 -4.060 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.991 -1.084 0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.199 -2.599 -0.252 1.00 0.00 H new ATOM 1586 N ILE A 100 -11.956 1.351 4.986 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.325 2.751 5.191 1.00 0.00 C ATOM 1588 C ILE A 100 -11.200 3.513 5.899 1.00 0.00 C ATOM 1589 O ILE A 100 -10.966 4.693 5.636 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.648 2.901 5.988 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.114 4.359 5.976 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.478 2.424 7.421 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.351 4.907 4.586 1.00 0.00 C ATOM 0 H ILE A 100 -12.576 0.678 5.437 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.484 3.181 4.202 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.403 2.281 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.035 4.442 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.368 4.975 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.420 2.540 7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.187 1.374 7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.706 3.016 7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.679 5.944 4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.426 4.856 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.119 4.316 4.088 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.486 2.823 6.783 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.371 3.428 7.490 1.00 0.00 C ATOM 1607 C ALA A 101 -8.194 3.586 6.545 1.00 0.00 C ATOM 1608 O ALA A 101 -7.555 4.633 6.512 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.987 2.588 8.703 1.00 0.00 C ATOM 0 H ALA A 101 -10.662 1.848 7.024 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.667 4.414 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.150 3.057 9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.838 2.517 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.698 1.589 8.377 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.925 2.544 5.764 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.886 2.597 4.737 1.00 0.00 C ATOM 1617 C LEU A 102 -7.148 3.764 3.790 1.00 0.00 C ATOM 1618 O LEU A 102 -6.241 4.522 3.447 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.857 1.281 3.954 1.00 0.00 C ATOM 1620 CG LEU A 102 -5.934 1.259 2.732 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.486 1.455 3.144 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.100 -0.041 1.959 1.00 0.00 C ATOM 0 H LEU A 102 -8.413 1.650 5.822 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.919 2.743 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.553 0.483 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.871 1.052 3.626 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.215 2.086 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.850 1.436 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.378 2.416 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.189 0.655 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.436 -0.038 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.850 -0.883 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.133 -0.135 1.623 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.410 3.897 3.404 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.880 4.973 2.541 1.00 0.00 C ATOM 1636 C GLU A 103 -8.437 6.331 3.092 1.00 0.00 C ATOM 1637 O GLU A 103 -7.824 7.139 2.391 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.413 4.883 2.473 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.033 5.380 1.179 1.00 0.00 C ATOM 1640 CD GLU A 103 -11.100 6.886 1.088 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -12.065 7.474 1.624 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -10.210 7.487 0.456 1.00 0.00 O ATOM 0 H GLU A 103 -9.147 3.251 3.686 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.456 4.874 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.707 3.844 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.832 5.455 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.456 4.998 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.040 4.972 1.087 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.734 6.551 4.365 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.394 7.795 5.047 1.00 0.00 C ATOM 1651 C ARG A 104 -6.891 7.932 5.270 1.00 0.00 C ATOM 1652 O ARG A 104 -6.338 9.030 5.176 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.116 7.854 6.389 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.620 7.950 6.258 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.286 8.018 7.615 1.00 0.00 C ATOM 1656 NE ARG A 104 -12.615 8.617 7.546 1.00 0.00 N ATOM 1657 CZ ARG A 104 -13.333 8.938 8.624 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -12.908 8.587 9.832 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -14.484 9.589 8.493 1.00 0.00 N ATOM 0 H ARG A 104 -9.217 5.874 4.955 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.712 8.621 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.865 6.965 6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.752 8.714 6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.881 8.835 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.995 7.086 5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.363 7.013 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.663 8.598 8.295 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.016 8.800 6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.033 8.072 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.456 8.832 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.822 9.845 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.029 9.832 9.320 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.231 6.823 5.577 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.812 6.845 5.871 1.00 0.00 C ATOM 1675 C TYR A 105 -3.992 7.190 4.635 1.00 0.00 C ATOM 1676 O TYR A 105 -3.068 7.987 4.723 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.359 5.514 6.469 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.785 5.322 7.910 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.771 6.383 8.809 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.189 4.079 8.376 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.148 6.208 10.127 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.569 3.896 9.691 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.548 4.962 10.562 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.918 4.774 11.874 1.00 0.00 O ATOM 0 H TYR A 105 -6.659 5.899 5.628 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.641 7.628 6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.762 4.699 5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.273 5.448 6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.460 7.361 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.207 3.239 7.698 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.129 7.042 10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.881 2.921 10.035 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.173 3.838 12.011 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.342 6.613 3.487 1.00 0.00 N ATOM 1695 CA LEU A 106 -3.659 6.937 2.229 1.00 0.00 C ATOM 1696 C LEU A 106 -3.714 8.438 1.976 1.00 0.00 C ATOM 1697 O LEU A 106 -2.753 9.051 1.512 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.315 6.215 1.048 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.299 4.687 1.100 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.069 4.118 -0.083 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -2.870 4.165 1.107 1.00 0.00 C ATOM 0 H LEU A 106 -5.088 5.923 3.398 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.623 6.610 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.351 6.545 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.816 6.532 0.132 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.782 4.364 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.052 3.029 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.101 4.467 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.606 4.450 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.881 3.076 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.359 4.492 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.345 4.553 1.980 1.00 0.00 H new ATOM 1713 N ASN A 107 -4.859 9.006 2.304 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.134 10.422 2.112 1.00 0.00 C ATOM 1715 C ASN A 107 -4.165 11.283 2.911 1.00 0.00 C ATOM 1716 O ASN A 107 -3.378 12.030 2.336 1.00 0.00 O ATOM 1717 CB ASN A 107 -6.578 10.676 2.553 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.134 12.029 2.171 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -6.416 13.021 2.064 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.442 12.063 1.971 1.00 0.00 N ATOM 0 H ASN A 107 -5.637 8.492 2.717 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.003 10.690 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.215 9.903 2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.635 10.569 3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.896 12.940 1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.996 11.212 2.072 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.207 11.148 4.230 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.375 11.975 5.090 1.00 0.00 C ATOM 1729 C GLY A 108 -1.906 11.594 5.044 1.00 0.00 C ATOM 1730 O GLY A 108 -1.044 12.369 5.454 1.00 0.00 O ATOM 0 H GLY A 108 -4.802 10.481 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.483 13.019 4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.733 11.896 6.117 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.623 10.390 4.576 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.254 9.908 4.483 1.00 0.00 C ATOM 1736 C LEU A 109 0.435 10.463 3.244 1.00 0.00 C ATOM 1737 O LEU A 109 1.547 10.983 3.325 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.235 8.380 4.441 1.00 0.00 C ATOM 1739 CG LEU A 109 1.144 7.734 4.329 1.00 0.00 C ATOM 1740 CD1 LEU A 109 1.989 8.070 5.547 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.006 6.228 4.165 1.00 0.00 C ATOM 0 H LEU A 109 -2.326 9.725 4.253 1.00 0.00 H new ATOM 0 HA LEU A 109 0.286 10.252 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.719 8.005 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.839 8.051 3.595 1.00 0.00 H new ATOM 0 HG LEU A 109 1.647 8.132 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.969 7.602 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.109 9.151 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.496 7.699 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.996 5.778 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.487 5.814 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.436 6.011 3.262 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.230 10.346 2.102 1.00 0.00 N ATOM 1754 CA PHE A 110 0.375 10.736 0.841 1.00 0.00 C ATOM 1755 C PHE A 110 0.189 12.220 0.552 1.00 0.00 C ATOM 1756 O PHE A 110 1.133 12.883 0.121 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.176 9.891 -0.308 1.00 0.00 C ATOM 1758 CG PHE A 110 0.323 8.470 -0.292 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.585 8.163 -0.779 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.458 7.445 0.220 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.053 6.864 -0.760 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.007 6.143 0.242 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.264 5.853 -0.246 1.00 0.00 C ATOM 0 H PHE A 110 -1.182 9.987 2.025 1.00 0.00 H new ATOM 0 HA PHE A 110 1.446 10.554 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.265 9.887 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 110 0.098 10.355 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.209 8.949 -1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.442 7.666 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.036 6.638 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.613 5.354 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.631 4.837 -0.226 1.00 0.00 H new ATOM 1773 N GLY A 111 -1.011 12.753 0.769 1.00 0.00 N ATOM 1774 CA GLY A 111 -1.217 14.154 0.507 1.00 0.00 C ATOM 1775 C GLY A 111 -2.047 14.834 1.568 1.00 0.00 C ATOM 1776 O GLY A 111 -1.719 14.791 2.754 1.00 0.00 O ATOM 0 H GLY A 111 -1.826 12.246 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.250 14.651 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.707 14.269 -0.460 1.00 0.00 H new ATOM 1780 N ASP A 112 -3.147 15.417 1.126 1.00 0.00 N ATOM 1781 CA ASP A 112 -4.017 16.217 1.945 1.00 0.00 C ATOM 1782 C ASP A 112 -5.257 16.528 1.163 1.00 0.00 C ATOM 1783 O ASP A 112 -5.210 17.105 0.075 1.00 0.00 O ATOM 1784 CB ASP A 112 -3.431 17.553 2.357 1.00 0.00 C ATOM 1785 CG ASP A 112 -2.558 17.511 3.593 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -3.115 17.483 4.711 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -1.315 17.556 3.459 1.00 0.00 O ATOM 0 H ASP A 112 -3.462 15.340 0.159 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.198 15.631 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.843 17.947 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.248 18.254 2.530 1.00 0.00 H new TER 1792 ASP A 112