USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1130 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 120 HIS : no HD1:sc= -10.5! C(o=-11!,f=-12!) USER MOD Set 1.2: A 121 LYS NZ :NH3+ 154:sc= -0.122 (180deg=0) USER MOD Set 2.1: A 58 ASN : amide:sc= -5 K(o=-5,f=-8.1!) USER MOD Set 2.2: A 90 TYR OH : rot 30:sc= 0 USER MOD Set 2.3: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 21 GLN : amide:sc= -4.61 K(o=-8.3,f=-0.89) USER MOD Set 3.2: A 79 GLN : amide:sc= -3.69 K(o=-8.3,f=-0.89) USER MOD Set 4.1: A 66 MET CE :methyl -161:sc= -4.31! (180deg=-1.32) USER MOD Set 4.2: A 69 TYR OH : rot -80:sc= -1.98! USER MOD Set 5.1: A 12 CYS SG : rot -59:sc= 0.704 USER MOD Set 5.2: A 15 GLN : amide:sc= -0.145 K(o=0.56,f=-7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.4!) USER MOD Single : A 25 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.85) USER MOD Single : A 32 TYR OH : rot 145:sc= -10.2! USER MOD Single : A 33 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.21) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0941) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -79:sc= 0.821 USER MOD Single : A 61 TYR OH : rot 90:sc= -5.63! USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= -0.215 (180deg=-0.804) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -6.39! (180deg=-6.47!) USER MOD Single : A 93 SER OG : rot -161:sc= -0.725 USER MOD Single : A 96 SER OG : rot 33:sc= 0.21 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -3.04 X(o=-3,f=-3.2!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -2.76! C(o=-2.8!,f=-2.5!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 110.596 9.954 -11.429 1.00 0.00 N ATOM 2 CA MET A 1 111.197 9.971 -12.788 1.00 0.00 C ATOM 3 C MET A 1 112.437 10.856 -12.832 1.00 0.00 C ATOM 4 O MET A 1 112.366 12.055 -12.560 1.00 0.00 O ATOM 5 CB MET A 1 110.148 10.480 -13.778 1.00 0.00 C ATOM 6 CG MET A 1 110.527 10.258 -15.233 1.00 0.00 C ATOM 7 SD MET A 1 111.576 11.570 -15.886 1.00 0.00 S ATOM 8 CE MET A 1 111.017 11.638 -17.585 1.00 0.00 C ATOM 0 H1 MET A 1 109.754 9.344 -11.429 1.00 0.00 H new ATOM 0 H2 MET A 1 111.290 9.586 -10.747 1.00 0.00 H new ATOM 0 H3 MET A 1 110.323 10.920 -11.158 1.00 0.00 H new ATOM 0 HA MET A 1 111.507 8.961 -13.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 109.200 9.981 -13.578 1.00 0.00 H new ATOM 0 HB3 MET A 1 109.989 11.545 -13.611 1.00 0.00 H new ATOM 0 HG2 MET A 1 111.045 9.303 -15.328 1.00 0.00 H new ATOM 0 HG3 MET A 1 109.620 10.190 -15.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 111.575 12.406 -18.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 111.182 10.671 -18.061 1.00 0.00 H new ATOM 0 HE3 MET A 1 109.954 11.878 -17.609 1.00 0.00 H new ATOM 20 N LYS A 2 113.574 10.259 -13.177 1.00 0.00 N ATOM 21 CA LYS A 2 114.830 10.995 -13.257 1.00 0.00 C ATOM 22 C LYS A 2 115.557 10.689 -14.562 1.00 0.00 C ATOM 23 O LYS A 2 115.191 9.765 -15.288 1.00 0.00 O ATOM 24 CB LYS A 2 115.726 10.647 -12.067 1.00 0.00 C ATOM 25 CG LYS A 2 114.955 10.350 -10.791 1.00 0.00 C ATOM 26 CD LYS A 2 115.170 8.918 -10.330 1.00 0.00 C ATOM 27 CE LYS A 2 116.244 8.834 -9.257 1.00 0.00 C ATOM 28 NZ LYS A 2 116.070 7.636 -8.390 1.00 0.00 N ATOM 0 H LYS A 2 113.651 9.268 -13.405 1.00 0.00 H new ATOM 0 HA LYS A 2 114.600 12.060 -13.231 1.00 0.00 H new ATOM 0 HB2 LYS A 2 116.336 9.781 -12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 2 116.410 11.475 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 2 115.270 11.037 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 2 113.892 10.524 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 2 114.234 8.515 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.455 8.299 -11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.226 8.801 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.215 9.734 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 116.822 7.615 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 115.143 7.679 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.123 6.776 -8.972 1.00 0.00 H new ATOM 42 N PRO A 3 116.603 11.469 -14.875 1.00 0.00 N ATOM 43 CA PRO A 3 117.393 11.289 -16.097 1.00 0.00 C ATOM 44 C PRO A 3 117.892 9.857 -16.259 1.00 0.00 C ATOM 45 O PRO A 3 118.970 9.507 -15.778 1.00 0.00 O ATOM 46 CB PRO A 3 118.568 12.247 -15.893 1.00 0.00 C ATOM 47 CG PRO A 3 118.033 13.303 -14.995 1.00 0.00 C ATOM 48 CD PRO A 3 117.100 12.591 -14.060 1.00 0.00 C ATOM 0 HA PRO A 3 116.811 11.488 -16.997 1.00 0.00 H new ATOM 0 HB2 PRO A 3 119.422 11.739 -15.444 1.00 0.00 H new ATOM 0 HB3 PRO A 3 118.908 12.666 -16.840 1.00 0.00 H new ATOM 0 HG2 PRO A 3 118.835 13.798 -14.448 1.00 0.00 H new ATOM 0 HG3 PRO A 3 117.510 14.074 -15.562 1.00 0.00 H new ATOM 0 HD2 PRO A 3 117.615 12.242 -13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 3 116.289 13.239 -13.729 1.00 0.00 H new ATOM 56 N ALA A 4 117.103 9.034 -16.941 1.00 0.00 N ATOM 57 CA ALA A 4 117.464 7.640 -17.166 1.00 0.00 C ATOM 58 C ALA A 4 117.605 6.890 -15.846 1.00 0.00 C ATOM 59 O ALA A 4 116.736 6.101 -15.473 1.00 0.00 O ATOM 60 CB ALA A 4 118.756 7.554 -17.964 1.00 0.00 C ATOM 0 H ALA A 4 116.209 9.309 -17.348 1.00 0.00 H new ATOM 0 HA ALA A 4 116.664 7.170 -17.737 1.00 0.00 H new ATOM 0 HB1 ALA A 4 119.015 6.508 -18.125 1.00 0.00 H new ATOM 0 HB2 ALA A 4 118.623 8.048 -18.927 1.00 0.00 H new ATOM 0 HB3 ALA A 4 119.558 8.045 -17.413 1.00 0.00 H new ATOM 66 N ALA A 5 118.705 7.140 -15.143 1.00 0.00 N ATOM 67 CA ALA A 5 118.958 6.488 -13.864 1.00 0.00 C ATOM 68 C ALA A 5 119.055 4.975 -14.029 1.00 0.00 C ATOM 69 O ALA A 5 118.276 4.371 -14.766 1.00 0.00 O ATOM 70 CB ALA A 5 117.868 6.844 -12.865 1.00 0.00 C ATOM 0 H ALA A 5 119.435 7.789 -15.438 1.00 0.00 H new ATOM 0 HA ALA A 5 119.914 6.847 -13.484 1.00 0.00 H new ATOM 0 HB1 ALA A 5 118.070 6.350 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 5 117.849 7.924 -12.716 1.00 0.00 H new ATOM 0 HB3 ALA A 5 116.902 6.514 -13.247 1.00 0.00 H new ATOM 76 N ARG A 6 120.015 4.370 -13.337 1.00 0.00 N ATOM 77 CA ARG A 6 120.213 2.927 -13.406 1.00 0.00 C ATOM 78 C ARG A 6 120.817 2.399 -12.109 1.00 0.00 C ATOM 79 O ARG A 6 121.914 1.840 -12.106 1.00 0.00 O ATOM 80 CB ARG A 6 121.119 2.572 -14.587 1.00 0.00 C ATOM 81 CG ARG A 6 121.118 1.091 -14.929 1.00 0.00 C ATOM 82 CD ARG A 6 120.512 0.837 -16.300 1.00 0.00 C ATOM 83 NE ARG A 6 120.853 -0.486 -16.814 1.00 0.00 N ATOM 84 CZ ARG A 6 120.772 -0.821 -18.097 1.00 0.00 C ATOM 85 NH1 ARG A 6 120.363 0.069 -18.992 1.00 0.00 N ATOM 86 NH2 ARG A 6 121.101 -2.045 -18.487 1.00 0.00 N ATOM 0 H ARG A 6 120.668 4.856 -12.722 1.00 0.00 H new ATOM 0 HA ARG A 6 119.240 2.457 -13.550 1.00 0.00 H new ATOM 0 HB2 ARG A 6 120.801 3.139 -15.462 1.00 0.00 H new ATOM 0 HB3 ARG A 6 122.138 2.883 -14.359 1.00 0.00 H new ATOM 0 HG2 ARG A 6 122.139 0.710 -14.905 1.00 0.00 H new ATOM 0 HG3 ARG A 6 120.555 0.542 -14.174 1.00 0.00 H new ATOM 0 HD2 ARG A 6 119.428 0.934 -16.240 1.00 0.00 H new ATOM 0 HD3 ARG A 6 120.862 1.598 -16.997 1.00 0.00 H new ATOM 0 HE ARG A 6 121.171 -1.193 -16.151 1.00 0.00 H new ATOM 0 HH11 ARG A 6 120.110 1.012 -18.695 1.00 0.00 H new ATOM 0 HH12 ARG A 6 120.301 -0.189 -19.977 1.00 0.00 H new ATOM 0 HH21 ARG A 6 121.417 -2.731 -17.801 1.00 0.00 H new ATOM 0 HH22 ARG A 6 121.038 -2.300 -19.473 1.00 0.00 H new ATOM 100 N ARG A 7 120.094 2.580 -11.009 1.00 0.00 N ATOM 101 CA ARG A 7 120.559 2.122 -9.705 1.00 0.00 C ATOM 102 C ARG A 7 119.405 1.563 -8.880 1.00 0.00 C ATOM 103 O ARG A 7 118.540 2.309 -8.421 1.00 0.00 O ATOM 104 CB ARG A 7 121.233 3.269 -8.949 1.00 0.00 C ATOM 105 CG ARG A 7 121.240 3.083 -7.440 1.00 0.00 C ATOM 106 CD ARG A 7 121.899 4.259 -6.737 1.00 0.00 C ATOM 107 NE ARG A 7 121.039 5.438 -6.719 1.00 0.00 N ATOM 108 CZ ARG A 7 121.160 6.425 -5.837 1.00 0.00 C ATOM 109 NH1 ARG A 7 122.101 6.371 -4.904 1.00 0.00 N ATOM 110 NH2 ARG A 7 120.340 7.465 -5.885 1.00 0.00 N ATOM 0 H ARG A 7 119.184 3.040 -10.994 1.00 0.00 H new ATOM 0 HA ARG A 7 121.285 1.325 -9.866 1.00 0.00 H new ATOM 0 HB2 ARG A 7 122.260 3.369 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 7 120.722 4.201 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 7 120.217 2.970 -7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 7 121.769 2.164 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 7 122.148 3.976 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 7 122.836 4.502 -7.238 1.00 0.00 H new ATOM 0 HE ARG A 7 120.304 5.509 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 7 122.733 5.571 -4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 7 122.193 7.129 -4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 7 119.614 7.509 -6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 7 120.435 8.221 -5.207 1.00 0.00 H new ATOM 124 N ARG A 8 119.399 0.247 -8.694 1.00 0.00 N ATOM 125 CA ARG A 8 118.351 -0.411 -7.921 1.00 0.00 C ATOM 126 C ARG A 8 118.512 -0.121 -6.434 1.00 0.00 C ATOM 127 O ARG A 8 117.621 0.454 -5.809 1.00 0.00 O ATOM 128 CB ARG A 8 118.379 -1.921 -8.166 1.00 0.00 C ATOM 129 CG ARG A 8 117.763 -2.334 -9.493 1.00 0.00 C ATOM 130 CD ARG A 8 117.592 -1.145 -10.424 1.00 0.00 C ATOM 131 NE ARG A 8 117.123 -1.548 -11.747 1.00 0.00 N ATOM 132 CZ ARG A 8 116.944 -0.699 -12.754 1.00 0.00 C ATOM 133 NH1 ARG A 8 117.196 0.592 -12.588 1.00 0.00 N ATOM 134 NH2 ARG A 8 116.514 -1.141 -13.928 1.00 0.00 N ATOM 0 H ARG A 8 120.107 -0.385 -9.068 1.00 0.00 H new ATOM 0 HA ARG A 8 117.389 -0.016 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 8 119.412 -2.267 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 8 117.848 -2.422 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 8 118.395 -3.083 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 8 116.794 -2.800 -9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 8 116.883 -0.442 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 8 118.543 -0.621 -10.521 1.00 0.00 H new ATOM 0 HE ARG A 8 116.922 -2.535 -11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 8 117.528 0.935 -11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 8 117.058 1.242 -13.362 1.00 0.00 H new ATOM 0 HH21 ARG A 8 116.320 -2.134 -14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 8 116.377 -0.488 -14.700 1.00 0.00 H new ATOM 148 N ALA A 9 119.659 -0.525 -5.883 1.00 0.00 N ATOM 149 CA ALA A 9 119.974 -0.320 -4.467 1.00 0.00 C ATOM 150 C ALA A 9 118.715 -0.184 -3.609 1.00 0.00 C ATOM 151 O ALA A 9 118.254 -1.159 -3.014 1.00 0.00 O ATOM 152 CB ALA A 9 120.879 0.895 -4.299 1.00 0.00 C ATOM 0 H ALA A 9 120.394 -1.002 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 9 120.502 -1.207 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.106 1.037 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 9 121.806 0.738 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.374 1.781 -4.683 1.00 0.00 H new ATOM 158 N ARG A 10 118.164 1.026 -3.549 1.00 0.00 N ATOM 159 CA ARG A 10 116.963 1.288 -2.763 1.00 0.00 C ATOM 160 C ARG A 10 116.026 0.084 -2.758 1.00 0.00 C ATOM 161 O ARG A 10 115.855 -0.578 -1.733 1.00 0.00 O ATOM 162 CB ARG A 10 116.230 2.513 -3.311 1.00 0.00 C ATOM 163 CG ARG A 10 115.562 3.355 -2.237 1.00 0.00 C ATOM 164 CD ARG A 10 114.046 3.269 -2.322 1.00 0.00 C ATOM 165 NE ARG A 10 113.574 3.263 -3.705 1.00 0.00 N ATOM 166 CZ ARG A 10 113.675 4.307 -4.521 1.00 0.00 C ATOM 167 NH1 ARG A 10 114.230 5.433 -4.094 1.00 0.00 N ATOM 168 NH2 ARG A 10 113.222 4.225 -5.765 1.00 0.00 N ATOM 0 H ARG A 10 118.532 1.842 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 10 117.274 1.481 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.938 3.134 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.475 2.184 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 10 115.892 3.020 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 10 115.875 4.394 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 10 113.706 2.364 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.605 4.113 -1.792 1.00 0.00 H new ATOM 0 HE ARG A 10 113.143 2.411 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.580 5.499 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.307 6.234 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 10 112.795 3.360 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 10 113.300 5.027 -6.390 1.00 0.00 H new ATOM 182 N GLU A 11 115.415 -0.189 -3.905 1.00 0.00 N ATOM 183 CA GLU A 11 114.486 -1.308 -4.030 1.00 0.00 C ATOM 184 C GLU A 11 115.178 -2.639 -3.748 1.00 0.00 C ATOM 185 O GLU A 11 114.591 -3.534 -3.148 1.00 0.00 O ATOM 186 CB GLU A 11 113.868 -1.329 -5.430 1.00 0.00 C ATOM 187 CG GLU A 11 113.429 0.042 -5.921 1.00 0.00 C ATOM 188 CD GLU A 11 113.854 0.312 -7.351 1.00 0.00 C ATOM 189 OE1 GLU A 11 114.997 0.774 -7.553 1.00 0.00 O ATOM 190 OE2 GLU A 11 113.044 0.062 -8.269 1.00 0.00 O ATOM 0 H GLU A 11 115.545 0.348 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 11 113.698 -1.171 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.592 -1.743 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.008 -1.998 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.344 0.120 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.849 0.809 -5.270 1.00 0.00 H new ATOM 197 N CYS A 12 116.423 -2.760 -4.185 1.00 0.00 N ATOM 198 CA CYS A 12 117.198 -3.983 -3.984 1.00 0.00 C ATOM 199 C CYS A 12 117.397 -4.281 -2.499 1.00 0.00 C ATOM 200 O CYS A 12 117.548 -5.434 -2.099 1.00 0.00 O ATOM 201 CB CYS A 12 118.557 -3.867 -4.676 1.00 0.00 C ATOM 202 SG CYS A 12 119.332 -5.457 -5.052 1.00 0.00 S ATOM 0 H CYS A 12 116.923 -2.024 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 12 116.636 -4.808 -4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.434 -3.307 -5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.228 -3.289 -4.041 1.00 0.00 H new ATOM 0 HG CYS A 12 119.501 -6.129 -3.952 1.00 0.00 H new ATOM 208 N ALA A 13 117.423 -3.227 -1.696 1.00 0.00 N ATOM 209 CA ALA A 13 117.641 -3.349 -0.257 1.00 0.00 C ATOM 210 C ALA A 13 116.579 -4.204 0.431 1.00 0.00 C ATOM 211 O ALA A 13 116.865 -4.861 1.433 1.00 0.00 O ATOM 212 CB ALA A 13 117.680 -1.965 0.365 1.00 0.00 C ATOM 0 H ALA A 13 117.295 -2.268 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 13 118.595 -3.856 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 117.843 -2.053 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.492 -1.389 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 13 116.733 -1.457 0.182 1.00 0.00 H new ATOM 218 N VAL A 14 115.362 -4.198 -0.092 1.00 0.00 N ATOM 219 CA VAL A 14 114.284 -4.981 0.502 1.00 0.00 C ATOM 220 C VAL A 14 114.653 -6.459 0.572 1.00 0.00 C ATOM 221 O VAL A 14 114.319 -7.149 1.535 1.00 0.00 O ATOM 222 CB VAL A 14 112.990 -4.845 -0.307 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.257 -5.207 -1.755 1.00 0.00 C ATOM 224 CG2 VAL A 14 111.893 -5.719 0.282 1.00 0.00 C ATOM 0 H VAL A 14 115.095 -3.665 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 14 114.130 -4.592 1.508 1.00 0.00 H new ATOM 0 HB VAL A 14 112.647 -3.811 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.336 -5.110 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 14 114.013 -4.536 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.614 -6.235 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.983 -5.607 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 14 112.210 -6.762 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 14 111.699 -5.415 1.311 1.00 0.00 H new ATOM 234 N GLN A 15 115.350 -6.933 -0.453 1.00 0.00 N ATOM 235 CA GLN A 15 115.773 -8.323 -0.513 1.00 0.00 C ATOM 236 C GLN A 15 116.605 -8.658 0.710 1.00 0.00 C ATOM 237 O GLN A 15 116.443 -9.717 1.318 1.00 0.00 O ATOM 238 CB GLN A 15 116.580 -8.582 -1.786 1.00 0.00 C ATOM 239 CG GLN A 15 118.050 -8.230 -1.649 1.00 0.00 C ATOM 240 CD GLN A 15 118.779 -8.236 -2.979 1.00 0.00 C ATOM 241 OE1 GLN A 15 119.699 -7.448 -3.199 1.00 0.00 O ATOM 242 NE2 GLN A 15 118.369 -9.127 -3.874 1.00 0.00 N ATOM 0 H GLN A 15 115.634 -6.372 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 15 114.889 -8.960 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.490 -9.634 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.150 -8.004 -2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 15 118.143 -7.244 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 15 118.528 -8.940 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 15 117.602 -9.761 -3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 15 118.821 -9.178 -4.787 1.00 0.00 H new ATOM 251 N ALA A 16 117.481 -7.734 1.085 1.00 0.00 N ATOM 252 CA ALA A 16 118.314 -7.920 2.257 1.00 0.00 C ATOM 253 C ALA A 16 117.439 -7.942 3.493 1.00 0.00 C ATOM 254 O ALA A 16 117.678 -8.709 4.426 1.00 0.00 O ATOM 255 CB ALA A 16 119.350 -6.820 2.352 1.00 0.00 C ATOM 0 H ALA A 16 117.630 -6.853 0.594 1.00 0.00 H new ATOM 0 HA ALA A 16 118.843 -8.870 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 16 119.966 -6.976 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.981 -6.837 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 16 118.850 -5.854 2.423 1.00 0.00 H new ATOM 261 N LEU A 17 116.395 -7.116 3.477 1.00 0.00 N ATOM 262 CA LEU A 17 115.464 -7.071 4.587 1.00 0.00 C ATOM 263 C LEU A 17 114.873 -8.455 4.761 1.00 0.00 C ATOM 264 O LEU A 17 114.614 -8.902 5.879 1.00 0.00 O ATOM 265 CB LEU A 17 114.356 -6.047 4.325 1.00 0.00 C ATOM 266 CG LEU A 17 114.454 -4.763 5.151 1.00 0.00 C ATOM 267 CD1 LEU A 17 114.371 -3.542 4.248 1.00 0.00 C ATOM 268 CD2 LEU A 17 113.360 -4.724 6.206 1.00 0.00 C ATOM 0 H LEU A 17 116.179 -6.477 2.712 1.00 0.00 H new ATOM 0 HA LEU A 17 115.985 -6.766 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.369 -5.783 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.393 -6.517 4.525 1.00 0.00 H new ATOM 0 HG LEU A 17 115.419 -4.751 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.442 -2.637 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 17 115.191 -3.564 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 17 113.421 -3.548 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 17 113.445 -3.804 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 17 112.385 -4.759 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 17 113.465 -5.581 6.871 1.00 0.00 H new ATOM 280 N TYR A 18 114.705 -9.150 3.638 1.00 0.00 N ATOM 281 CA TYR A 18 114.194 -10.511 3.663 1.00 0.00 C ATOM 282 C TYR A 18 115.252 -11.431 4.262 1.00 0.00 C ATOM 283 O TYR A 18 114.949 -12.310 5.069 1.00 0.00 O ATOM 284 CB TYR A 18 113.830 -10.975 2.252 1.00 0.00 C ATOM 285 CG TYR A 18 113.452 -12.437 2.173 1.00 0.00 C ATOM 286 CD1 TYR A 18 114.425 -13.421 2.059 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.120 -12.834 2.211 1.00 0.00 C ATOM 288 CE1 TYR A 18 114.084 -14.758 1.986 1.00 0.00 C ATOM 289 CE2 TYR A 18 111.771 -14.169 2.138 1.00 0.00 C ATOM 290 CZ TYR A 18 112.756 -15.126 2.026 1.00 0.00 C ATOM 291 OH TYR A 18 112.412 -16.456 1.954 1.00 0.00 O ATOM 0 H TYR A 18 114.915 -8.792 2.706 1.00 0.00 H new ATOM 0 HA TYR A 18 113.292 -10.544 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.999 -10.373 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.675 -10.791 1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 18 115.466 -13.136 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 18 111.345 -12.087 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.854 -15.511 1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.732 -14.461 2.169 1.00 0.00 H new ATOM 0 HH TYR A 18 111.437 -16.544 1.997 1.00 0.00 H new ATOM 301 N SER A 19 116.503 -11.197 3.870 1.00 0.00 N ATOM 302 CA SER A 19 117.633 -11.973 4.371 1.00 0.00 C ATOM 303 C SER A 19 117.872 -11.660 5.844 1.00 0.00 C ATOM 304 O SER A 19 118.315 -12.513 6.612 1.00 0.00 O ATOM 305 CB SER A 19 118.892 -11.669 3.558 1.00 0.00 C ATOM 306 OG SER A 19 119.088 -12.635 2.541 1.00 0.00 O ATOM 0 H SER A 19 116.759 -10.470 3.202 1.00 0.00 H new ATOM 0 HA SER A 19 117.400 -13.033 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.810 -10.678 3.112 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.759 -11.650 4.218 1.00 0.00 H new ATOM 0 HG SER A 19 119.898 -12.417 2.035 1.00 0.00 H new ATOM 312 N TRP A 20 117.578 -10.422 6.221 1.00 0.00 N ATOM 313 CA TRP A 20 117.757 -9.962 7.594 1.00 0.00 C ATOM 314 C TRP A 20 116.923 -10.798 8.561 1.00 0.00 C ATOM 315 O TRP A 20 117.420 -11.269 9.582 1.00 0.00 O ATOM 316 CB TRP A 20 117.321 -8.501 7.699 1.00 0.00 C ATOM 317 CG TRP A 20 117.824 -7.797 8.922 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.905 -8.136 9.686 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.264 -6.620 9.518 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.052 -7.239 10.718 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.057 -6.299 10.637 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.169 -5.806 9.213 1.00 0.00 C ATOM 323 CZ2 TRP A 20 117.787 -5.196 11.448 1.00 0.00 C ATOM 324 CZ3 TRP A 20 115.903 -4.715 10.019 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.710 -4.419 11.123 1.00 0.00 C ATOM 0 H TRP A 20 117.211 -9.711 5.588 1.00 0.00 H new ATOM 0 HA TRP A 20 118.810 -10.065 7.857 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.669 -7.965 6.816 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.232 -8.457 7.690 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.549 -8.984 9.506 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.783 -7.268 11.429 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.542 -6.026 8.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.407 -4.964 12.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.059 -4.081 9.793 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.477 -3.558 11.732 1.00 0.00 H new ATOM 336 N GLN A 21 115.649 -10.966 8.231 1.00 0.00 N ATOM 337 CA GLN A 21 114.734 -11.733 9.069 1.00 0.00 C ATOM 338 C GLN A 21 115.183 -13.186 9.213 1.00 0.00 C ATOM 339 O GLN A 21 115.256 -13.715 10.322 1.00 0.00 O ATOM 340 CB GLN A 21 113.319 -11.686 8.489 1.00 0.00 C ATOM 341 CG GLN A 21 112.443 -10.611 9.112 1.00 0.00 C ATOM 342 CD GLN A 21 112.507 -9.297 8.359 1.00 0.00 C ATOM 343 OE1 GLN A 21 112.713 -8.237 8.951 1.00 0.00 O ATOM 344 NE2 GLN A 21 112.332 -9.359 7.044 1.00 0.00 N ATOM 0 H GLN A 21 115.224 -10.581 7.387 1.00 0.00 H new ATOM 0 HA GLN A 21 114.738 -11.278 10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 21 113.381 -11.515 7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.845 -12.657 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 21 111.411 -10.960 9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 21 112.752 -10.449 10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 21 112.164 -10.259 6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 21 112.366 -8.507 6.484 1.00 0.00 H new ATOM 353 N LEU A 22 115.471 -13.830 8.086 1.00 0.00 N ATOM 354 CA LEU A 22 115.899 -15.228 8.094 1.00 0.00 C ATOM 355 C LEU A 22 117.366 -15.364 8.493 1.00 0.00 C ATOM 356 O LEU A 22 117.710 -16.172 9.356 1.00 0.00 O ATOM 357 CB LEU A 22 115.675 -15.854 6.717 1.00 0.00 C ATOM 358 CG LEU A 22 114.480 -15.302 5.940 1.00 0.00 C ATOM 359 CD1 LEU A 22 114.058 -16.273 4.849 1.00 0.00 C ATOM 360 CD2 LEU A 22 113.319 -15.018 6.881 1.00 0.00 C ATOM 0 H LEU A 22 115.417 -13.410 7.158 1.00 0.00 H new ATOM 0 HA LEU A 22 115.298 -15.755 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 22 116.575 -15.710 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.543 -16.929 6.841 1.00 0.00 H new ATOM 0 HG LEU A 22 114.778 -14.366 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 22 113.206 -15.863 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.887 -16.428 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 22 113.778 -17.226 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 22 112.477 -14.626 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.021 -15.940 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 22 113.626 -14.285 7.627 1.00 0.00 H new ATOM 372 N SER A 23 118.226 -14.576 7.858 1.00 0.00 N ATOM 373 CA SER A 23 119.656 -14.617 8.141 1.00 0.00 C ATOM 374 C SER A 23 119.974 -13.971 9.487 1.00 0.00 C ATOM 375 O SER A 23 120.700 -14.538 10.302 1.00 0.00 O ATOM 376 CB SER A 23 120.436 -13.914 7.030 1.00 0.00 C ATOM 377 OG SER A 23 121.792 -14.324 7.019 1.00 0.00 O ATOM 0 H SER A 23 117.958 -13.900 7.143 1.00 0.00 H new ATOM 0 HA SER A 23 119.957 -15.664 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.979 -14.134 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.381 -12.834 7.170 1.00 0.00 H new ATOM 0 HG SER A 23 122.268 -13.861 6.298 1.00 0.00 H new ATOM 383 N GLN A 24 119.428 -12.780 9.713 1.00 0.00 N ATOM 384 CA GLN A 24 119.660 -12.060 10.960 1.00 0.00 C ATOM 385 C GLN A 24 121.067 -11.472 10.992 1.00 0.00 C ATOM 386 O GLN A 24 121.651 -11.289 12.060 1.00 0.00 O ATOM 387 CB GLN A 24 119.457 -12.992 12.156 1.00 0.00 C ATOM 388 CG GLN A 24 118.459 -12.464 13.173 1.00 0.00 C ATOM 389 CD GLN A 24 119.057 -11.410 14.084 1.00 0.00 C ATOM 390 OE1 GLN A 24 120.257 -11.136 14.033 1.00 0.00 O ATOM 391 NE2 GLN A 24 118.221 -10.811 14.925 1.00 0.00 N ATOM 0 H GLN A 24 118.823 -12.294 9.051 1.00 0.00 H new ATOM 0 HA GLN A 24 118.941 -11.243 11.019 1.00 0.00 H new ATOM 0 HB2 GLN A 24 119.118 -13.963 11.796 1.00 0.00 H new ATOM 0 HB3 GLN A 24 120.416 -13.152 12.649 1.00 0.00 H new ATOM 0 HG2 GLN A 24 117.601 -12.042 12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 24 118.088 -13.292 13.776 1.00 0.00 H new ATOM 0 HE21 GLN A 24 117.234 -11.069 14.934 1.00 0.00 H new ATOM 0 HE22 GLN A 24 118.566 -10.093 15.562 1.00 0.00 H new ATOM 400 N ASN A 25 121.606 -11.178 9.812 1.00 0.00 N ATOM 401 CA ASN A 25 122.945 -10.610 9.704 1.00 0.00 C ATOM 402 C ASN A 25 122.893 -9.086 9.733 1.00 0.00 C ATOM 403 O ASN A 25 121.819 -8.493 9.842 1.00 0.00 O ATOM 404 CB ASN A 25 123.618 -11.083 8.415 1.00 0.00 C ATOM 405 CG ASN A 25 125.131 -11.073 8.514 1.00 0.00 C ATOM 406 OD1 ASN A 25 125.729 -11.929 9.165 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.760 -10.098 7.868 1.00 0.00 N ATOM 0 H ASN A 25 121.136 -11.324 8.918 1.00 0.00 H new ATOM 0 HA ASN A 25 123.529 -10.952 10.559 1.00 0.00 H new ATOM 0 HB2 ASN A 25 123.279 -12.092 8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.307 -10.442 7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.778 -10.039 7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.225 -9.408 7.340 1.00 0.00 H new ATOM 414 N ASP A 26 124.059 -8.456 9.636 1.00 0.00 N ATOM 415 CA ASP A 26 124.145 -7.001 9.652 1.00 0.00 C ATOM 416 C ASP A 26 123.371 -6.398 8.485 1.00 0.00 C ATOM 417 O ASP A 26 123.956 -6.005 7.475 1.00 0.00 O ATOM 418 CB ASP A 26 125.608 -6.554 9.593 1.00 0.00 C ATOM 419 CG ASP A 26 126.482 -7.307 10.576 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.530 -6.904 11.758 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.120 -8.299 10.165 1.00 0.00 O ATOM 0 H ASP A 26 124.957 -8.931 9.545 1.00 0.00 H new ATOM 0 HA ASP A 26 123.701 -6.646 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.990 -6.703 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.668 -5.486 9.802 1.00 0.00 H new ATOM 426 N ILE A 27 122.052 -6.330 8.630 1.00 0.00 N ATOM 427 CA ILE A 27 121.194 -5.776 7.589 1.00 0.00 C ATOM 428 C ILE A 27 121.875 -4.625 6.867 1.00 0.00 C ATOM 429 O ILE A 27 121.822 -4.529 5.641 1.00 0.00 O ATOM 430 CB ILE A 27 119.863 -5.267 8.165 1.00 0.00 C ATOM 431 CG1 ILE A 27 119.001 -4.676 7.049 1.00 0.00 C ATOM 432 CG2 ILE A 27 120.114 -4.235 9.254 1.00 0.00 C ATOM 433 CD1 ILE A 27 118.006 -5.652 6.463 1.00 0.00 C ATOM 0 H ILE A 27 121.553 -6.652 9.459 1.00 0.00 H new ATOM 0 HA ILE A 27 120.999 -6.587 6.887 1.00 0.00 H new ATOM 0 HB ILE A 27 119.329 -6.106 8.610 1.00 0.00 H new ATOM 0 HG12 ILE A 27 118.462 -3.812 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 27 119.652 -4.314 6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 27 119.161 -3.885 9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 27 120.697 -4.687 10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 27 120.664 -3.392 8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 27 117.432 -5.159 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 27 118.538 -6.505 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 27 117.330 -5.996 7.246 1.00 0.00 H new ATOM 445 N ALA A 28 122.504 -3.747 7.633 1.00 0.00 N ATOM 446 CA ALA A 28 123.180 -2.597 7.061 1.00 0.00 C ATOM 447 C ALA A 28 124.212 -3.018 6.026 1.00 0.00 C ATOM 448 O ALA A 28 124.208 -2.521 4.910 1.00 0.00 O ATOM 449 CB ALA A 28 123.836 -1.771 8.157 1.00 0.00 C ATOM 0 H ALA A 28 122.559 -3.810 8.650 1.00 0.00 H new ATOM 0 HA ALA A 28 122.432 -1.986 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.339 -0.912 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.075 -1.425 8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.565 -2.384 8.688 1.00 0.00 H new ATOM 455 N ASP A 29 125.106 -3.916 6.411 1.00 0.00 N ATOM 456 CA ASP A 29 126.162 -4.390 5.518 1.00 0.00 C ATOM 457 C ASP A 29 125.664 -5.371 4.446 1.00 0.00 C ATOM 458 O ASP A 29 126.151 -5.359 3.318 1.00 0.00 O ATOM 459 CB ASP A 29 127.273 -5.050 6.334 1.00 0.00 C ATOM 460 CG ASP A 29 128.493 -4.160 6.475 1.00 0.00 C ATOM 461 OD1 ASP A 29 128.540 -3.365 7.438 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.401 -4.258 5.624 1.00 0.00 O ATOM 0 H ASP A 29 125.124 -4.335 7.341 1.00 0.00 H new ATOM 0 HA ASP A 29 126.538 -3.512 4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 29 126.893 -5.301 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.563 -5.987 5.857 1.00 0.00 H new ATOM 467 N VAL A 30 124.747 -6.258 4.821 1.00 0.00 N ATOM 468 CA VAL A 30 124.251 -7.298 3.910 1.00 0.00 C ATOM 469 C VAL A 30 123.574 -6.778 2.636 1.00 0.00 C ATOM 470 O VAL A 30 123.919 -7.205 1.535 1.00 0.00 O ATOM 471 CB VAL A 30 123.255 -8.229 4.632 1.00 0.00 C ATOM 472 CG1 VAL A 30 122.029 -7.453 5.072 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.849 -9.392 3.740 1.00 0.00 C ATOM 0 H VAL A 30 124.328 -6.282 5.751 1.00 0.00 H new ATOM 0 HA VAL A 30 125.150 -7.830 3.601 1.00 0.00 H new ATOM 0 HB VAL A 30 123.751 -8.634 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.336 -8.124 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.328 -6.657 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.540 -7.019 4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.147 -10.032 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.376 -9.009 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.733 -9.969 3.470 1.00 0.00 H new ATOM 483 N GLU A 31 122.594 -5.894 2.773 1.00 0.00 N ATOM 484 CA GLU A 31 121.856 -5.407 1.601 1.00 0.00 C ATOM 485 C GLU A 31 122.770 -4.903 0.489 1.00 0.00 C ATOM 486 O GLU A 31 122.654 -5.324 -0.662 1.00 0.00 O ATOM 487 CB GLU A 31 120.886 -4.289 2.019 1.00 0.00 C ATOM 488 CG GLU A 31 121.061 -2.978 1.258 1.00 0.00 C ATOM 489 CD GLU A 31 120.785 -3.108 -0.229 1.00 0.00 C ATOM 490 OE1 GLU A 31 120.578 -4.248 -0.697 1.00 0.00 O ATOM 491 OE2 GLU A 31 120.778 -2.070 -0.924 1.00 0.00 O ATOM 0 H GLU A 31 122.291 -5.502 3.664 1.00 0.00 H new ATOM 0 HA GLU A 31 121.304 -6.257 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.864 -4.642 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 31 121.013 -4.095 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 31 120.392 -2.228 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 31 122.079 -2.615 1.402 1.00 0.00 H new ATOM 498 N TYR A 32 123.647 -3.991 0.829 1.00 0.00 N ATOM 499 CA TYR A 32 124.562 -3.398 -0.138 1.00 0.00 C ATOM 500 C TYR A 32 125.675 -4.347 -0.559 1.00 0.00 C ATOM 501 O TYR A 32 126.212 -4.229 -1.661 1.00 0.00 O ATOM 502 CB TYR A 32 125.124 -2.100 0.424 1.00 0.00 C ATOM 503 CG TYR A 32 124.086 -1.332 1.201 1.00 0.00 C ATOM 504 CD1 TYR A 32 123.816 -1.660 2.516 1.00 0.00 C ATOM 505 CD2 TYR A 32 123.356 -0.309 0.614 1.00 0.00 C ATOM 506 CE1 TYR A 32 122.848 -0.994 3.237 1.00 0.00 C ATOM 507 CE2 TYR A 32 122.386 0.366 1.326 1.00 0.00 C ATOM 508 CZ TYR A 32 122.136 0.020 2.635 1.00 0.00 C ATOM 509 OH TYR A 32 121.171 0.691 3.340 1.00 0.00 O ATOM 0 H TYR A 32 123.753 -3.634 1.779 1.00 0.00 H new ATOM 0 HA TYR A 32 123.995 -3.185 -1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 32 125.973 -2.321 1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 32 125.498 -1.482 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 32 124.375 -2.454 2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.549 -0.037 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 32 122.650 -1.265 4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 32 121.825 1.162 0.859 1.00 0.00 H new ATOM 0 HH TYR A 32 121.159 1.631 3.065 1.00 0.00 H new ATOM 519 N GLN A 33 126.034 -5.282 0.313 1.00 0.00 N ATOM 520 CA GLN A 33 127.096 -6.223 -0.007 1.00 0.00 C ATOM 521 C GLN A 33 126.623 -7.211 -1.063 1.00 0.00 C ATOM 522 O GLN A 33 127.408 -7.687 -1.883 1.00 0.00 O ATOM 523 CB GLN A 33 127.583 -6.936 1.252 1.00 0.00 C ATOM 524 CG GLN A 33 126.767 -8.163 1.622 1.00 0.00 C ATOM 525 CD GLN A 33 127.401 -9.450 1.136 1.00 0.00 C ATOM 526 OE1 GLN A 33 128.450 -9.866 1.629 1.00 0.00 O ATOM 527 NE2 GLN A 33 126.766 -10.092 0.161 1.00 0.00 N ATOM 0 H GLN A 33 125.612 -5.407 1.233 1.00 0.00 H new ATOM 0 HA GLN A 33 127.942 -5.673 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 33 128.622 -7.233 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 33 127.563 -6.234 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.651 -8.205 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.767 -8.072 1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 33 125.899 -9.712 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 33 127.146 -10.964 -0.207 1.00 0.00 H new ATOM 536 N PHE A 34 125.326 -7.491 -1.052 1.00 0.00 N ATOM 537 CA PHE A 34 124.729 -8.396 -2.023 1.00 0.00 C ATOM 538 C PHE A 34 124.959 -7.864 -3.433 1.00 0.00 C ATOM 539 O PHE A 34 125.141 -8.630 -4.380 1.00 0.00 O ATOM 540 CB PHE A 34 123.231 -8.547 -1.759 1.00 0.00 C ATOM 541 CG PHE A 34 122.554 -9.523 -2.680 1.00 0.00 C ATOM 542 CD1 PHE A 34 122.470 -9.269 -4.040 1.00 0.00 C ATOM 543 CD2 PHE A 34 122.002 -10.693 -2.184 1.00 0.00 C ATOM 544 CE1 PHE A 34 121.847 -10.164 -4.887 1.00 0.00 C ATOM 545 CE2 PHE A 34 121.378 -11.593 -3.028 1.00 0.00 C ATOM 546 CZ PHE A 34 121.301 -11.327 -4.382 1.00 0.00 C ATOM 0 H PHE A 34 124.666 -7.102 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 34 125.199 -9.375 -1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 34 123.083 -8.870 -0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 34 122.753 -7.573 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 34 122.896 -8.362 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 34 122.060 -10.904 -1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 34 121.787 -9.954 -5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 34 120.952 -12.502 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 34 120.814 -12.028 -5.044 1.00 0.00 H new ATOM 556 N LEU A 35 124.948 -6.540 -3.557 1.00 0.00 N ATOM 557 CA LEU A 35 125.152 -5.884 -4.845 1.00 0.00 C ATOM 558 C LEU A 35 126.494 -6.288 -5.448 1.00 0.00 C ATOM 559 O LEU A 35 126.623 -6.428 -6.664 1.00 0.00 O ATOM 560 CB LEU A 35 125.102 -4.360 -4.687 1.00 0.00 C ATOM 561 CG LEU A 35 123.950 -3.818 -3.836 1.00 0.00 C ATOM 562 CD1 LEU A 35 124.331 -2.482 -3.212 1.00 0.00 C ATOM 563 CD2 LEU A 35 122.690 -3.675 -4.677 1.00 0.00 C ATOM 0 H LEU A 35 124.799 -5.898 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 35 124.351 -6.201 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 35 126.042 -4.028 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 35 125.039 -3.912 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 35 123.750 -4.527 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.501 -2.111 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 35 125.208 -2.613 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 35 124.557 -1.764 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 35 121.881 -3.289 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 35 122.878 -2.985 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 35 122.407 -4.649 -5.077 1.00 0.00 H new ATOM 575 N ALA A 36 127.491 -6.473 -4.588 1.00 0.00 N ATOM 576 CA ALA A 36 128.824 -6.859 -5.034 1.00 0.00 C ATOM 577 C ALA A 36 128.797 -8.215 -5.733 1.00 0.00 C ATOM 578 O ALA A 36 129.659 -8.515 -6.558 1.00 0.00 O ATOM 579 CB ALA A 36 129.786 -6.888 -3.857 1.00 0.00 C ATOM 0 H ALA A 36 127.400 -6.362 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 36 129.170 -6.116 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.778 -7.178 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 36 129.836 -5.898 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 36 129.436 -7.609 -3.118 1.00 0.00 H new ATOM 585 N GLU A 37 127.803 -9.029 -5.395 1.00 0.00 N ATOM 586 CA GLU A 37 127.664 -10.353 -5.991 1.00 0.00 C ATOM 587 C GLU A 37 127.162 -10.252 -7.427 1.00 0.00 C ATOM 588 O GLU A 37 127.276 -11.200 -8.204 1.00 0.00 O ATOM 589 CB GLU A 37 126.706 -11.211 -5.163 1.00 0.00 C ATOM 590 CG GLU A 37 127.002 -11.187 -3.672 1.00 0.00 C ATOM 591 CD GLU A 37 126.752 -12.526 -3.007 1.00 0.00 C ATOM 592 OE1 GLU A 37 125.664 -13.100 -3.217 1.00 0.00 O ATOM 593 OE2 GLU A 37 127.646 -13.001 -2.274 1.00 0.00 O ATOM 0 H GLU A 37 127.082 -8.796 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 37 128.647 -10.825 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 37 125.686 -10.864 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 37 126.754 -12.240 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 128.041 -10.896 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 37 126.383 -10.427 -3.195 1.00 0.00 H new ATOM 600 N GLN A 38 126.606 -9.095 -7.774 1.00 0.00 N ATOM 601 CA GLN A 38 126.085 -8.868 -9.117 1.00 0.00 C ATOM 602 C GLN A 38 126.142 -7.389 -9.481 1.00 0.00 C ATOM 603 O GLN A 38 125.113 -6.720 -9.568 1.00 0.00 O ATOM 604 CB GLN A 38 124.645 -9.375 -9.221 1.00 0.00 C ATOM 605 CG GLN A 38 124.543 -10.868 -9.486 1.00 0.00 C ATOM 606 CD GLN A 38 123.272 -11.243 -10.222 1.00 0.00 C ATOM 607 OE1 GLN A 38 123.088 -10.894 -11.388 1.00 0.00 O ATOM 608 NE2 GLN A 38 122.383 -11.958 -9.541 1.00 0.00 N ATOM 0 H GLN A 38 126.505 -8.300 -7.143 1.00 0.00 H new ATOM 0 HA GLN A 38 126.710 -9.420 -9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 38 124.119 -9.142 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 38 124.136 -8.837 -10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 38 125.405 -11.189 -10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 38 124.582 -11.405 -8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 38 122.576 -12.226 -8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 38 121.508 -12.239 -9.983 1.00 0.00 H new ATOM 617 N ASP A 39 127.353 -6.883 -9.692 1.00 0.00 N ATOM 618 CA ASP A 39 127.544 -5.481 -10.046 1.00 0.00 C ATOM 619 C ASP A 39 126.422 -4.993 -10.957 1.00 0.00 C ATOM 620 O ASP A 39 126.464 -5.189 -12.171 1.00 0.00 O ATOM 621 CB ASP A 39 128.896 -5.287 -10.736 1.00 0.00 C ATOM 622 CG ASP A 39 129.413 -6.567 -11.364 1.00 0.00 C ATOM 623 OD1 ASP A 39 129.873 -7.453 -10.613 1.00 0.00 O ATOM 624 OD2 ASP A 39 129.359 -6.682 -12.607 1.00 0.00 O ATOM 0 H ASP A 39 128.216 -7.422 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 39 127.525 -4.894 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 128.802 -4.520 -11.505 1.00 0.00 H new ATOM 0 HB3 ASP A 39 129.623 -4.922 -10.010 1.00 0.00 H new ATOM 629 N VAL A 40 125.418 -4.358 -10.360 1.00 0.00 N ATOM 630 CA VAL A 40 124.284 -3.842 -11.116 1.00 0.00 C ATOM 631 C VAL A 40 124.746 -3.109 -12.371 1.00 0.00 C ATOM 632 O VAL A 40 124.272 -3.384 -13.473 1.00 0.00 O ATOM 633 CB VAL A 40 123.427 -2.887 -10.264 1.00 0.00 C ATOM 634 CG1 VAL A 40 122.464 -2.104 -11.142 1.00 0.00 C ATOM 635 CG2 VAL A 40 122.676 -3.659 -9.190 1.00 0.00 C ATOM 0 H VAL A 40 125.367 -4.189 -9.355 1.00 0.00 H new ATOM 0 HA VAL A 40 123.679 -4.702 -11.403 1.00 0.00 H new ATOM 0 HB VAL A 40 124.090 -2.176 -9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.868 -1.435 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.028 -1.519 -11.868 1.00 0.00 H new ATOM 0 HG13 VAL A 40 121.805 -2.796 -11.667 1.00 0.00 H new ATOM 0 HG21 VAL A 40 122.076 -2.968 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 40 122.024 -4.395 -9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 40 123.389 -4.168 -8.542 1.00 0.00 H new ATOM 645 N LYS A 41 125.673 -2.173 -12.195 1.00 0.00 N ATOM 646 CA LYS A 41 126.200 -1.399 -13.314 1.00 0.00 C ATOM 647 C LYS A 41 127.642 -0.977 -13.053 1.00 0.00 C ATOM 648 O LYS A 41 128.159 -0.065 -13.698 1.00 0.00 O ATOM 649 CB LYS A 41 125.332 -0.164 -13.560 1.00 0.00 C ATOM 650 CG LYS A 41 125.417 0.366 -14.982 1.00 0.00 C ATOM 651 CD LYS A 41 124.917 1.798 -15.073 1.00 0.00 C ATOM 652 CE LYS A 41 124.925 2.301 -16.507 1.00 0.00 C ATOM 653 NZ LYS A 41 123.841 1.681 -17.319 1.00 0.00 N ATOM 0 H LYS A 41 126.075 -1.932 -11.289 1.00 0.00 H new ATOM 0 HA LYS A 41 126.181 -2.031 -14.202 1.00 0.00 H new ATOM 0 HB2 LYS A 41 124.294 -0.409 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 41 125.632 0.624 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 41 126.449 0.317 -15.329 1.00 0.00 H new ATOM 0 HG3 LYS A 41 124.828 -0.269 -15.644 1.00 0.00 H new ATOM 0 HD2 LYS A 41 123.906 1.857 -14.671 1.00 0.00 H new ATOM 0 HD3 LYS A 41 125.543 2.443 -14.457 1.00 0.00 H new ATOM 0 HE2 LYS A 41 124.808 3.385 -16.512 1.00 0.00 H new ATOM 0 HE3 LYS A 41 125.891 2.082 -16.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 124.240 1.308 -18.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 123.406 0.904 -16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 123.119 2.397 -17.539 1.00 0.00 H new ATOM 667 N ASP A 42 128.286 -1.647 -12.103 1.00 0.00 N ATOM 668 CA ASP A 42 129.670 -1.341 -11.757 1.00 0.00 C ATOM 669 C ASP A 42 129.781 0.050 -11.139 1.00 0.00 C ATOM 670 O ASP A 42 130.706 0.802 -11.441 1.00 0.00 O ATOM 671 CB ASP A 42 130.561 -1.432 -12.997 1.00 0.00 C ATOM 672 CG ASP A 42 130.990 -2.855 -13.297 1.00 0.00 C ATOM 673 OD1 ASP A 42 130.320 -3.791 -12.813 1.00 0.00 O ATOM 674 OD2 ASP A 42 131.996 -3.032 -14.015 1.00 0.00 O ATOM 0 H ASP A 42 127.873 -2.405 -11.559 1.00 0.00 H new ATOM 0 HA ASP A 42 130.005 -2.074 -11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 42 130.026 -1.028 -13.856 1.00 0.00 H new ATOM 0 HB3 ASP A 42 131.445 -0.812 -12.852 1.00 0.00 H new ATOM 679 N VAL A 43 128.830 0.384 -10.271 1.00 0.00 N ATOM 680 CA VAL A 43 128.820 1.683 -9.611 1.00 0.00 C ATOM 681 C VAL A 43 129.157 1.549 -8.130 1.00 0.00 C ATOM 682 O VAL A 43 129.483 0.461 -7.653 1.00 0.00 O ATOM 683 CB VAL A 43 127.453 2.376 -9.753 1.00 0.00 C ATOM 684 CG1 VAL A 43 127.284 2.942 -11.155 1.00 0.00 C ATOM 685 CG2 VAL A 43 126.327 1.409 -9.422 1.00 0.00 C ATOM 0 H VAL A 43 128.057 -0.228 -10.009 1.00 0.00 H new ATOM 0 HA VAL A 43 129.580 2.292 -10.101 1.00 0.00 H new ATOM 0 HB VAL A 43 127.411 3.203 -9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 43 126.312 3.428 -11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 43 128.071 3.670 -11.351 1.00 0.00 H new ATOM 0 HG13 VAL A 43 127.348 2.134 -11.884 1.00 0.00 H new ATOM 0 HG21 VAL A 43 125.368 1.917 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 126.365 0.559 -10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 43 126.440 1.057 -8.397 1.00 0.00 H new ATOM 695 N ASP A 44 129.077 2.661 -7.407 1.00 0.00 N ATOM 696 CA ASP A 44 129.374 2.668 -5.980 1.00 0.00 C ATOM 697 C ASP A 44 128.091 2.735 -5.157 1.00 0.00 C ATOM 698 O ASP A 44 127.161 3.465 -5.497 1.00 0.00 O ATOM 699 CB ASP A 44 130.280 3.850 -5.631 1.00 0.00 C ATOM 700 CG ASP A 44 131.584 3.411 -4.996 1.00 0.00 C ATOM 701 OD1 ASP A 44 131.542 2.578 -4.067 1.00 0.00 O ATOM 702 OD2 ASP A 44 132.649 3.901 -5.427 1.00 0.00 O ATOM 0 H ASP A 44 128.809 3.569 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 44 129.891 1.740 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 44 130.493 4.420 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 44 129.754 4.518 -4.949 1.00 0.00 H new ATOM 707 N VAL A 45 128.050 1.968 -4.072 1.00 0.00 N ATOM 708 CA VAL A 45 126.883 1.941 -3.199 1.00 0.00 C ATOM 709 C VAL A 45 127.288 2.030 -1.735 1.00 0.00 C ATOM 710 O VAL A 45 126.465 1.827 -0.841 1.00 0.00 O ATOM 711 CB VAL A 45 126.064 0.655 -3.393 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.694 0.974 -3.971 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.813 -0.328 -4.281 1.00 0.00 C ATOM 0 H VAL A 45 128.812 1.357 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 45 126.276 2.805 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 45 125.919 0.189 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.130 0.050 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.157 1.635 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.812 1.466 -4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 45 126.217 -1.232 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 45 126.993 0.126 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.766 -0.583 -3.818 1.00 0.00 H new ATOM 723 N LEU A 46 128.555 2.333 -1.493 1.00 0.00 N ATOM 724 CA LEU A 46 129.060 2.440 -0.132 1.00 0.00 C ATOM 725 C LEU A 46 128.231 3.442 0.659 1.00 0.00 C ATOM 726 O LEU A 46 127.880 3.199 1.814 1.00 0.00 O ATOM 727 CB LEU A 46 130.530 2.866 -0.140 1.00 0.00 C ATOM 728 CG LEU A 46 130.771 4.358 -0.371 1.00 0.00 C ATOM 729 CD1 LEU A 46 132.172 4.748 0.076 1.00 0.00 C ATOM 730 CD2 LEU A 46 130.559 4.711 -1.835 1.00 0.00 C ATOM 0 H LEU A 46 129.250 2.509 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 46 128.982 1.463 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.979 2.584 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.051 2.305 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 46 130.052 4.920 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 46 132.325 5.813 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 46 132.289 4.531 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 46 132.907 4.179 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.735 5.777 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 46 131.254 4.141 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 46 129.536 4.469 -2.123 1.00 0.00 H new ATOM 742 N TYR A 47 127.904 4.560 0.024 1.00 0.00 N ATOM 743 CA TYR A 47 127.099 5.587 0.666 1.00 0.00 C ATOM 744 C TYR A 47 125.724 5.034 1.023 1.00 0.00 C ATOM 745 O TYR A 47 125.185 5.324 2.093 1.00 0.00 O ATOM 746 CB TYR A 47 126.953 6.802 -0.251 1.00 0.00 C ATOM 747 CG TYR A 47 127.236 8.118 0.437 1.00 0.00 C ATOM 748 CD1 TYR A 47 126.302 8.695 1.287 1.00 0.00 C ATOM 749 CD2 TYR A 47 128.439 8.784 0.235 1.00 0.00 C ATOM 750 CE1 TYR A 47 126.557 9.898 1.917 1.00 0.00 C ATOM 751 CE2 TYR A 47 128.702 9.987 0.862 1.00 0.00 C ATOM 752 CZ TYR A 47 127.758 10.540 1.702 1.00 0.00 C ATOM 753 OH TYR A 47 128.016 11.738 2.328 1.00 0.00 O ATOM 0 H TYR A 47 128.184 4.777 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 47 127.603 5.898 1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 47 127.631 6.691 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 47 125.940 6.823 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 47 125.360 8.195 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 47 129.180 8.354 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 47 125.819 10.333 2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 47 129.642 10.492 0.695 1.00 0.00 H new ATOM 0 HH TYR A 47 128.906 12.057 2.070 1.00 0.00 H new ATOM 763 N PHE A 48 125.165 4.223 0.126 1.00 0.00 N ATOM 764 CA PHE A 48 123.855 3.629 0.355 1.00 0.00 C ATOM 765 C PHE A 48 123.871 2.778 1.618 1.00 0.00 C ATOM 766 O PHE A 48 122.863 2.671 2.314 1.00 0.00 O ATOM 767 CB PHE A 48 123.409 2.785 -0.846 1.00 0.00 C ATOM 768 CG PHE A 48 121.936 2.895 -1.139 1.00 0.00 C ATOM 769 CD1 PHE A 48 121.346 4.138 -1.296 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.138 1.759 -1.253 1.00 0.00 C ATOM 771 CE1 PHE A 48 119.994 4.253 -1.560 1.00 0.00 C ATOM 772 CE2 PHE A 48 119.787 1.871 -1.517 1.00 0.00 C ATOM 773 CZ PHE A 48 119.214 3.119 -1.671 1.00 0.00 C ATOM 0 H PHE A 48 125.598 3.965 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 48 123.138 4.440 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 48 123.971 3.094 -1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.658 1.740 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 48 121.950 5.029 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.580 0.781 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 48 119.548 5.229 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.178 0.983 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.158 3.207 -1.878 1.00 0.00 H new ATOM 783 N ARG A 49 125.018 2.168 1.912 1.00 0.00 N ATOM 784 CA ARG A 49 125.133 1.327 3.092 1.00 0.00 C ATOM 785 C ARG A 49 124.733 2.093 4.352 1.00 0.00 C ATOM 786 O ARG A 49 124.007 1.569 5.200 1.00 0.00 O ATOM 787 CB ARG A 49 126.558 0.783 3.226 1.00 0.00 C ATOM 788 CG ARG A 49 127.037 0.039 1.988 1.00 0.00 C ATOM 789 CD ARG A 49 127.614 -1.329 2.329 1.00 0.00 C ATOM 790 NE ARG A 49 128.923 -1.228 2.966 1.00 0.00 N ATOM 791 CZ ARG A 49 129.745 -2.261 3.128 1.00 0.00 C ATOM 792 NH1 ARG A 49 129.392 -3.466 2.700 1.00 0.00 N ATOM 793 NH2 ARG A 49 130.921 -2.090 3.717 1.00 0.00 N ATOM 0 H ARG A 49 125.869 2.241 1.354 1.00 0.00 H new ATOM 0 HA ARG A 49 124.449 0.486 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.238 1.610 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.605 0.113 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 49 126.205 -0.082 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 49 127.794 0.634 1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.928 -1.856 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 49 127.699 -1.924 1.419 1.00 0.00 H new ATOM 0 HE ARG A 49 129.224 -0.315 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 49 128.489 -3.602 2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 49 130.024 -4.257 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 49 131.197 -1.165 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 49 131.550 -2.884 3.840 1.00 0.00 H new ATOM 807 N GLU A 50 125.187 3.336 4.462 1.00 0.00 N ATOM 808 CA GLU A 50 124.860 4.167 5.617 1.00 0.00 C ATOM 809 C GLU A 50 123.349 4.352 5.748 1.00 0.00 C ATOM 810 O GLU A 50 122.824 4.525 6.849 1.00 0.00 O ATOM 811 CB GLU A 50 125.542 5.532 5.498 1.00 0.00 C ATOM 812 CG GLU A 50 126.273 5.957 6.760 1.00 0.00 C ATOM 813 CD GLU A 50 126.742 7.398 6.706 1.00 0.00 C ATOM 814 OE1 GLU A 50 126.651 8.010 5.621 1.00 0.00 O ATOM 815 OE2 GLU A 50 127.196 7.914 7.748 1.00 0.00 O ATOM 0 H GLU A 50 125.781 3.791 3.768 1.00 0.00 H new ATOM 0 HA GLU A 50 125.224 3.661 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 50 126.250 5.504 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 50 124.792 6.284 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 125.614 5.825 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.133 5.305 6.915 1.00 0.00 H new ATOM 822 N LEU A 51 122.663 4.329 4.612 1.00 0.00 N ATOM 823 CA LEU A 51 121.215 4.514 4.573 1.00 0.00 C ATOM 824 C LEU A 51 120.477 3.487 5.430 1.00 0.00 C ATOM 825 O LEU A 51 119.518 3.826 6.126 1.00 0.00 O ATOM 826 CB LEU A 51 120.728 4.408 3.127 1.00 0.00 C ATOM 827 CG LEU A 51 119.886 5.580 2.628 1.00 0.00 C ATOM 828 CD1 LEU A 51 119.646 5.452 1.132 1.00 0.00 C ATOM 829 CD2 LEU A 51 118.565 5.647 3.380 1.00 0.00 C ATOM 0 H LEU A 51 123.090 4.183 3.697 1.00 0.00 H new ATOM 0 HA LEU A 51 120.999 5.502 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.596 4.305 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 51 120.143 3.494 3.025 1.00 0.00 H new ATOM 0 HG LEU A 51 120.430 6.506 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 51 119.045 6.293 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 51 120.602 5.451 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 51 119.119 4.520 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 51 117.978 6.488 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.010 4.722 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 51 118.759 5.779 4.445 1.00 0.00 H new ATOM 841 N LEU A 52 120.914 2.234 5.376 1.00 0.00 N ATOM 842 CA LEU A 52 120.273 1.171 6.142 1.00 0.00 C ATOM 843 C LEU A 52 120.359 1.438 7.638 1.00 0.00 C ATOM 844 O LEU A 52 119.470 1.051 8.398 1.00 0.00 O ATOM 845 CB LEU A 52 120.925 -0.171 5.826 1.00 0.00 C ATOM 846 CG LEU A 52 120.051 -1.190 5.086 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.302 -2.061 6.078 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.070 -0.513 4.139 1.00 0.00 C ATOM 0 H LEU A 52 121.707 1.930 4.812 1.00 0.00 H new ATOM 0 HA LEU A 52 119.221 1.143 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.817 0.014 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.257 -0.620 6.762 1.00 0.00 H new ATOM 0 HG LEU A 52 120.713 -1.815 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.686 -2.780 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.016 -2.594 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.666 -1.435 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.470 -1.270 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.416 0.150 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.621 0.067 3.398 1.00 0.00 H new ATOM 860 N ALA A 53 121.433 2.093 8.058 1.00 0.00 N ATOM 861 CA ALA A 53 121.628 2.394 9.468 1.00 0.00 C ATOM 862 C ALA A 53 120.461 3.198 10.020 1.00 0.00 C ATOM 863 O ALA A 53 120.037 2.991 11.158 1.00 0.00 O ATOM 864 CB ALA A 53 122.933 3.148 9.670 1.00 0.00 C ATOM 0 H ALA A 53 122.178 2.424 7.446 1.00 0.00 H new ATOM 0 HA ALA A 53 121.678 1.452 10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.066 3.367 10.729 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.764 2.537 9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 53 122.905 4.081 9.107 1.00 0.00 H new ATOM 870 N GLY A 54 119.931 4.106 9.208 1.00 0.00 N ATOM 871 CA GLY A 54 118.815 4.916 9.649 1.00 0.00 C ATOM 872 C GLY A 54 117.614 4.076 10.030 1.00 0.00 C ATOM 873 O GLY A 54 116.934 4.363 11.014 1.00 0.00 O ATOM 0 H GLY A 54 120.253 4.294 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.121 5.518 10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.535 5.609 8.855 1.00 0.00 H new ATOM 877 N VAL A 55 117.366 3.021 9.263 1.00 0.00 N ATOM 878 CA VAL A 55 116.252 2.128 9.541 1.00 0.00 C ATOM 879 C VAL A 55 116.506 1.363 10.829 1.00 0.00 C ATOM 880 O VAL A 55 115.583 1.059 11.585 1.00 0.00 O ATOM 881 CB VAL A 55 116.029 1.127 8.392 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.616 0.566 8.438 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.306 1.785 7.050 1.00 0.00 C ATOM 0 H VAL A 55 117.921 2.765 8.446 1.00 0.00 H new ATOM 0 HA VAL A 55 115.356 2.741 9.643 1.00 0.00 H new ATOM 0 HB VAL A 55 116.727 0.299 8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.478 -0.139 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.458 0.054 9.387 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.898 1.380 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.143 1.063 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.635 2.633 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.339 2.132 7.021 1.00 0.00 H new ATOM 893 N ALA A 56 117.776 1.054 11.065 1.00 0.00 N ATOM 894 CA ALA A 56 118.185 0.323 12.251 1.00 0.00 C ATOM 895 C ALA A 56 118.065 1.185 13.503 1.00 0.00 C ATOM 896 O ALA A 56 117.996 0.669 14.618 1.00 0.00 O ATOM 897 CB ALA A 56 119.608 -0.175 12.074 1.00 0.00 C ATOM 0 H ALA A 56 118.544 1.303 10.442 1.00 0.00 H new ATOM 0 HA ALA A 56 117.520 -0.531 12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 56 119.915 -0.724 12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.658 -0.834 11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.275 0.674 11.923 1.00 0.00 H new ATOM 903 N THR A 57 118.042 2.501 13.312 1.00 0.00 N ATOM 904 CA THR A 57 117.932 3.431 14.429 1.00 0.00 C ATOM 905 C THR A 57 116.806 4.430 14.194 1.00 0.00 C ATOM 906 O THR A 57 116.713 5.449 14.877 1.00 0.00 O ATOM 907 CB THR A 57 119.255 4.173 14.633 1.00 0.00 C ATOM 908 OG1 THR A 57 119.389 5.226 13.696 1.00 0.00 O ATOM 909 CG2 THR A 57 120.468 3.280 14.499 1.00 0.00 C ATOM 0 H THR A 57 118.098 2.946 12.396 1.00 0.00 H new ATOM 0 HA THR A 57 117.703 2.858 15.327 1.00 0.00 H new ATOM 0 HB THR A 57 119.218 4.556 15.653 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.240 5.689 13.844 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.372 3.869 14.655 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.419 2.486 15.244 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.488 2.841 13.501 1.00 0.00 H new ATOM 917 N ASN A 58 115.955 4.128 13.221 1.00 0.00 N ATOM 918 CA ASN A 58 114.832 4.997 12.891 1.00 0.00 C ATOM 919 C ASN A 58 113.700 4.200 12.253 1.00 0.00 C ATOM 920 O ASN A 58 112.909 4.738 11.479 1.00 0.00 O ATOM 921 CB ASN A 58 115.283 6.114 11.948 1.00 0.00 C ATOM 922 CG ASN A 58 114.748 7.470 12.361 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.073 7.599 13.383 1.00 0.00 O ATOM 924 ND2 ASN A 58 115.046 8.491 11.566 1.00 0.00 N ATOM 0 H ASN A 58 116.021 3.288 12.647 1.00 0.00 H new ATOM 0 HA ASN A 58 114.463 5.441 13.815 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.372 6.148 11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.949 5.888 10.935 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.713 9.428 11.792 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.608 8.338 10.729 1.00 0.00 H new ATOM 931 N THR A 59 113.626 2.916 12.582 1.00 0.00 N ATOM 932 CA THR A 59 112.584 2.053 12.038 1.00 0.00 C ATOM 933 C THR A 59 111.206 2.581 12.421 1.00 0.00 C ATOM 934 O THR A 59 110.322 2.711 11.574 1.00 0.00 O ATOM 935 CB THR A 59 112.753 0.618 12.547 1.00 0.00 C ATOM 936 OG1 THR A 59 113.717 0.561 13.583 1.00 0.00 O ATOM 937 CG2 THR A 59 113.183 -0.352 11.466 1.00 0.00 C ATOM 0 H THR A 59 114.272 2.451 13.220 1.00 0.00 H new ATOM 0 HA THR A 59 112.674 2.051 10.952 1.00 0.00 H new ATOM 0 HB THR A 59 111.768 0.323 12.909 1.00 0.00 H new ATOM 0 HG1 THR A 59 114.616 0.582 13.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.285 -1.350 11.892 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.434 -0.370 10.674 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.140 -0.035 11.052 1.00 0.00 H new ATOM 945 N ALA A 60 111.035 2.894 13.701 1.00 0.00 N ATOM 946 CA ALA A 60 109.769 3.417 14.197 1.00 0.00 C ATOM 947 C ALA A 60 109.408 4.718 13.492 1.00 0.00 C ATOM 948 O ALA A 60 108.233 5.032 13.306 1.00 0.00 O ATOM 949 CB ALA A 60 109.838 3.630 15.702 1.00 0.00 C ATOM 0 H ALA A 60 111.758 2.794 14.413 1.00 0.00 H new ATOM 0 HA ALA A 60 108.989 2.686 13.983 1.00 0.00 H new ATOM 0 HB1 ALA A 60 108.885 4.021 16.058 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.048 2.681 16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.631 4.341 15.933 1.00 0.00 H new ATOM 955 N TYR A 61 110.430 5.463 13.080 1.00 0.00 N ATOM 956 CA TYR A 61 110.220 6.720 12.379 1.00 0.00 C ATOM 957 C TYR A 61 109.470 6.447 11.090 1.00 0.00 C ATOM 958 O TYR A 61 108.511 7.141 10.751 1.00 0.00 O ATOM 959 CB TYR A 61 111.559 7.406 12.089 1.00 0.00 C ATOM 960 CG TYR A 61 111.595 8.152 10.774 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.530 8.949 10.373 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.698 8.060 9.934 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.564 9.635 9.174 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.739 8.742 8.733 1.00 0.00 C ATOM 965 CZ TYR A 61 111.670 9.528 8.357 1.00 0.00 C ATOM 966 OH TYR A 61 111.709 10.209 7.163 1.00 0.00 O ATOM 0 H TYR A 61 111.410 5.216 13.221 1.00 0.00 H new ATOM 0 HA TYR A 61 109.632 7.390 13.006 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.781 8.103 12.897 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.349 6.655 12.091 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.661 9.034 11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.537 7.445 10.225 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.728 10.252 8.878 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.604 8.660 8.092 1.00 0.00 H new ATOM 0 HH TYR A 61 112.102 11.096 7.305 1.00 0.00 H new ATOM 976 N LEU A 62 109.891 5.398 10.398 1.00 0.00 N ATOM 977 CA LEU A 62 109.237 4.986 9.172 1.00 0.00 C ATOM 978 C LEU A 62 107.859 4.440 9.516 1.00 0.00 C ATOM 979 O LEU A 62 106.914 4.541 8.732 1.00 0.00 O ATOM 980 CB LEU A 62 110.064 3.919 8.447 1.00 0.00 C ATOM 981 CG LEU A 62 111.497 4.328 8.098 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.149 3.276 7.212 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.514 5.686 7.412 1.00 0.00 C ATOM 0 H LEU A 62 110.685 4.818 10.669 1.00 0.00 H new ATOM 0 HA LEU A 62 109.142 5.844 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.100 3.025 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.547 3.645 7.527 1.00 0.00 H new ATOM 0 HG LEU A 62 112.068 4.404 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.167 3.582 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.171 2.321 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.576 3.171 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.541 5.959 7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.927 5.638 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.085 6.435 8.078 1.00 0.00 H new ATOM 995 N ASP A 63 107.759 3.865 10.713 1.00 0.00 N ATOM 996 CA ASP A 63 106.504 3.299 11.190 1.00 0.00 C ATOM 997 C ASP A 63 105.457 4.390 11.379 1.00 0.00 C ATOM 998 O ASP A 63 104.256 4.128 11.325 1.00 0.00 O ATOM 999 CB ASP A 63 106.721 2.550 12.506 1.00 0.00 C ATOM 1000 CG ASP A 63 105.429 2.343 13.273 1.00 0.00 C ATOM 1001 OD1 ASP A 63 104.562 1.591 12.783 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.287 2.934 14.365 1.00 0.00 O ATOM 0 H ASP A 63 108.535 3.780 11.370 1.00 0.00 H new ATOM 0 HA ASP A 63 106.143 2.596 10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.177 1.582 12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 63 107.423 3.107 13.126 1.00 0.00 H new ATOM 1007 N GLY A 64 105.922 5.614 11.605 1.00 0.00 N ATOM 1008 CA GLY A 64 105.012 6.725 11.804 1.00 0.00 C ATOM 1009 C GLY A 64 104.127 6.973 10.599 1.00 0.00 C ATOM 1010 O GLY A 64 102.971 7.370 10.743 1.00 0.00 O ATOM 0 H GLY A 64 106.912 5.856 11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.387 6.527 12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.586 7.626 12.021 1.00 0.00 H new ATOM 1014 N LEU A 65 104.664 6.729 9.407 1.00 0.00 N ATOM 1015 CA LEU A 65 103.900 6.922 8.180 1.00 0.00 C ATOM 1016 C LEU A 65 103.364 5.590 7.669 1.00 0.00 C ATOM 1017 O LEU A 65 102.400 5.547 6.904 1.00 0.00 O ATOM 1018 CB LEU A 65 104.752 7.606 7.106 1.00 0.00 C ATOM 1019 CG LEU A 65 106.072 6.914 6.769 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.497 7.246 5.343 1.00 0.00 C ATOM 1021 CD2 LEU A 65 107.158 7.321 7.756 1.00 0.00 C ATOM 0 H LEU A 65 105.619 6.399 9.265 1.00 0.00 H new ATOM 0 HA LEU A 65 103.055 7.572 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 65 104.160 7.684 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 65 104.969 8.623 7.433 1.00 0.00 H new ATOM 0 HG LEU A 65 105.925 5.837 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.439 6.746 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 65 105.730 6.906 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 65 106.626 8.324 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 65 108.090 6.818 7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 65 107.304 8.400 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.858 7.037 8.765 1.00 0.00 H new ATOM 1033 N MET A 66 103.992 4.502 8.106 1.00 0.00 N ATOM 1034 CA MET A 66 103.578 3.163 7.704 1.00 0.00 C ATOM 1035 C MET A 66 102.475 2.646 8.625 1.00 0.00 C ATOM 1036 O MET A 66 101.671 1.799 8.235 1.00 0.00 O ATOM 1037 CB MET A 66 104.774 2.209 7.728 1.00 0.00 C ATOM 1038 CG MET A 66 104.462 0.847 8.328 1.00 0.00 C ATOM 1039 SD MET A 66 103.369 -0.137 7.287 1.00 0.00 S ATOM 1040 CE MET A 66 104.545 -0.837 6.131 1.00 0.00 C ATOM 0 H MET A 66 104.791 4.523 8.740 1.00 0.00 H new ATOM 0 HA MET A 66 103.188 3.213 6.687 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.138 2.072 6.710 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.582 2.669 8.296 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.393 0.303 8.487 1.00 0.00 H new ATOM 0 HG3 MET A 66 104.001 0.982 9.306 1.00 0.00 H new ATOM 0 HE1 MET A 66 104.019 -1.184 5.242 1.00 0.00 H new ATOM 0 HE2 MET A 66 105.273 -0.077 5.848 1.00 0.00 H new ATOM 0 HE3 MET A 66 105.060 -1.676 6.599 1.00 0.00 H new ATOM 1050 N LYS A 67 102.448 3.167 9.847 1.00 0.00 N ATOM 1051 CA LYS A 67 101.451 2.768 10.835 1.00 0.00 C ATOM 1052 C LYS A 67 100.040 2.800 10.250 1.00 0.00 C ATOM 1053 O LYS A 67 99.325 1.799 10.284 1.00 0.00 O ATOM 1054 CB LYS A 67 101.525 3.682 12.059 1.00 0.00 C ATOM 1055 CG LYS A 67 100.592 3.267 13.185 1.00 0.00 C ATOM 1056 CD LYS A 67 101.359 2.988 14.468 1.00 0.00 C ATOM 1057 CE LYS A 67 100.446 3.032 15.683 1.00 0.00 C ATOM 1058 NZ LYS A 67 99.815 4.370 15.854 1.00 0.00 N ATOM 0 H LYS A 67 103.108 3.870 10.179 1.00 0.00 H new ATOM 0 HA LYS A 67 101.672 1.743 11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.549 3.693 12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.285 4.701 11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 67 99.860 4.055 13.361 1.00 0.00 H new ATOM 0 HG3 LYS A 67 100.037 2.376 12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 67 101.834 2.009 14.404 1.00 0.00 H new ATOM 0 HD3 LYS A 67 102.156 3.722 14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 67 99.669 2.274 15.581 1.00 0.00 H new ATOM 0 HE3 LYS A 67 101.018 2.783 16.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.532 4.496 16.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 100.496 5.111 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.976 4.438 15.244 1.00 0.00 H new ATOM 1072 N PRO A 68 99.616 3.957 9.712 1.00 0.00 N ATOM 1073 CA PRO A 68 98.296 4.126 9.129 1.00 0.00 C ATOM 1074 C PRO A 68 97.731 2.829 8.553 1.00 0.00 C ATOM 1075 O PRO A 68 96.747 2.292 9.063 1.00 0.00 O ATOM 1076 CB PRO A 68 98.555 5.147 8.026 1.00 0.00 C ATOM 1077 CG PRO A 68 99.721 5.964 8.501 1.00 0.00 C ATOM 1078 CD PRO A 68 100.386 5.204 9.628 1.00 0.00 C ATOM 0 HA PRO A 68 97.552 4.437 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 68 98.781 4.654 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.679 5.774 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.425 6.135 7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.387 6.943 8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.437 5.011 9.415 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.348 5.762 10.564 1.00 0.00 H new ATOM 1086 N TYR A 69 98.355 2.330 7.492 1.00 0.00 N ATOM 1087 CA TYR A 69 97.904 1.097 6.857 1.00 0.00 C ATOM 1088 C TYR A 69 98.486 -0.126 7.558 1.00 0.00 C ATOM 1089 O TYR A 69 99.172 -0.940 6.941 1.00 0.00 O ATOM 1090 CB TYR A 69 98.292 1.085 5.381 1.00 0.00 C ATOM 1091 CG TYR A 69 99.780 1.128 5.159 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.469 2.331 5.196 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.498 -0.035 4.920 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.832 2.376 4.997 1.00 0.00 C ATOM 1095 CE2 TYR A 69 101.863 0.000 4.722 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.527 1.207 4.761 1.00 0.00 C ATOM 1097 OH TYR A 69 103.888 1.248 4.563 1.00 0.00 O ATOM 0 H TYR A 69 99.171 2.758 7.055 1.00 0.00 H new ATOM 0 HA TYR A 69 96.818 1.056 6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 69 97.887 0.188 4.913 1.00 0.00 H new ATOM 0 HB3 TYR A 69 97.832 1.939 4.884 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.929 3.247 5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 69 99.980 -0.982 4.888 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.354 3.321 5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.408 -0.914 4.537 1.00 0.00 H new ATOM 0 HH TYR A 69 104.076 1.518 3.640 1.00 0.00 H new ATOM 1107 N LEU A 70 98.207 -0.247 8.851 1.00 0.00 N ATOM 1108 CA LEU A 70 98.701 -1.371 9.638 1.00 0.00 C ATOM 1109 C LEU A 70 97.654 -2.476 9.720 1.00 0.00 C ATOM 1110 O LEU A 70 96.751 -2.428 10.555 1.00 0.00 O ATOM 1111 CB LEU A 70 99.080 -0.906 11.045 1.00 0.00 C ATOM 1112 CG LEU A 70 100.545 -0.504 11.221 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.311 -1.593 11.952 1.00 0.00 C ATOM 1114 CD2 LEU A 70 101.184 -0.214 9.871 1.00 0.00 C ATOM 0 H LEU A 70 97.641 0.419 9.377 1.00 0.00 H new ATOM 0 HA LEU A 70 99.587 -1.770 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.451 -0.057 11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 70 98.851 -1.706 11.749 1.00 0.00 H new ATOM 0 HG LEU A 70 100.584 0.405 11.821 1.00 0.00 H new ATOM 0 HD11 LEU A 70 102.352 -1.290 12.069 1.00 0.00 H new ATOM 0 HD12 LEU A 70 100.867 -1.753 12.935 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.264 -2.518 11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.226 0.070 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 70 101.134 -1.106 9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 70 100.650 0.601 9.383 1.00 0.00 H new ATOM 1126 N SER A 71 97.781 -3.471 8.848 1.00 0.00 N ATOM 1127 CA SER A 71 96.845 -4.589 8.823 1.00 0.00 C ATOM 1128 C SER A 71 96.932 -5.400 10.111 1.00 0.00 C ATOM 1129 O SER A 71 97.283 -6.580 10.092 1.00 0.00 O ATOM 1130 CB SER A 71 97.125 -5.490 7.618 1.00 0.00 C ATOM 1131 OG SER A 71 96.540 -4.963 6.440 1.00 0.00 O ATOM 0 H SER A 71 98.523 -3.526 8.150 1.00 0.00 H new ATOM 0 HA SER A 71 95.837 -4.184 8.738 1.00 0.00 H new ATOM 0 HB2 SER A 71 98.201 -5.592 7.479 1.00 0.00 H new ATOM 0 HB3 SER A 71 96.732 -6.489 7.808 1.00 0.00 H new ATOM 0 HG SER A 71 96.735 -5.556 5.684 1.00 0.00 H new ATOM 1137 N ARG A 72 96.612 -4.760 11.231 1.00 0.00 N ATOM 1138 CA ARG A 72 96.655 -5.421 12.530 1.00 0.00 C ATOM 1139 C ARG A 72 98.092 -5.742 12.928 1.00 0.00 C ATOM 1140 O ARG A 72 98.583 -5.269 13.953 1.00 0.00 O ATOM 1141 CB ARG A 72 95.822 -6.705 12.499 1.00 0.00 C ATOM 1142 CG ARG A 72 94.432 -6.513 11.916 1.00 0.00 C ATOM 1143 CD ARG A 72 94.257 -7.298 10.625 1.00 0.00 C ATOM 1144 NE ARG A 72 92.941 -7.923 10.540 1.00 0.00 N ATOM 1145 CZ ARG A 72 92.538 -8.905 11.340 1.00 0.00 C ATOM 1146 NH1 ARG A 72 93.350 -9.372 12.280 1.00 0.00 N ATOM 1147 NH2 ARG A 72 91.326 -9.422 11.201 1.00 0.00 N ATOM 0 H ARG A 72 96.320 -3.783 11.265 1.00 0.00 H new ATOM 0 HA ARG A 72 96.235 -4.741 13.271 1.00 0.00 H new ATOM 0 HB2 ARG A 72 96.351 -7.458 11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 72 95.731 -7.094 13.513 1.00 0.00 H new ATOM 0 HG2 ARG A 72 93.684 -6.833 12.642 1.00 0.00 H new ATOM 0 HG3 ARG A 72 94.259 -5.454 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 72 94.398 -6.632 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 72 95.028 -8.066 10.560 1.00 0.00 H new ATOM 0 HE ARG A 72 92.294 -7.587 9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 72 94.284 -8.977 12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 72 93.040 -10.126 12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 72 90.700 -9.067 10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 72 91.019 -10.176 11.816 1.00 0.00 H new ATOM 1161 N LEU A 73 98.761 -6.549 12.111 1.00 0.00 N ATOM 1162 CA LEU A 73 100.142 -6.933 12.378 1.00 0.00 C ATOM 1163 C LEU A 73 100.984 -6.849 11.109 1.00 0.00 C ATOM 1164 O LEU A 73 100.564 -7.297 10.043 1.00 0.00 O ATOM 1165 CB LEU A 73 100.199 -8.351 12.949 1.00 0.00 C ATOM 1166 CG LEU A 73 99.103 -8.685 13.961 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.654 -10.130 13.805 1.00 0.00 C ATOM 1168 CD2 LEU A 73 99.592 -8.428 15.379 1.00 0.00 C ATOM 0 H LEU A 73 98.369 -6.950 11.259 1.00 0.00 H new ATOM 0 HA LEU A 73 100.551 -6.238 13.111 1.00 0.00 H new ATOM 0 HB2 LEU A 73 100.140 -9.061 12.124 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.169 -8.496 13.425 1.00 0.00 H new ATOM 0 HG LEU A 73 98.248 -8.037 13.768 1.00 0.00 H new ATOM 0 HD11 LEU A 73 97.874 -10.349 14.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.264 -10.283 12.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 99.502 -10.794 13.971 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.799 -8.671 16.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 100.463 -9.051 15.582 1.00 0.00 H new ATOM 0 HD23 LEU A 73 99.864 -7.378 15.485 1.00 0.00 H new ATOM 1180 N LEU A 74 102.175 -6.272 11.233 1.00 0.00 N ATOM 1181 CA LEU A 74 103.077 -6.130 10.096 1.00 0.00 C ATOM 1182 C LEU A 74 103.450 -7.492 9.523 1.00 0.00 C ATOM 1183 O LEU A 74 103.603 -7.647 8.311 1.00 0.00 O ATOM 1184 CB LEU A 74 104.341 -5.375 10.512 1.00 0.00 C ATOM 1185 CG LEU A 74 104.103 -3.970 11.068 1.00 0.00 C ATOM 1186 CD1 LEU A 74 105.397 -3.386 11.613 1.00 0.00 C ATOM 1187 CD2 LEU A 74 103.517 -3.065 9.996 1.00 0.00 C ATOM 0 H LEU A 74 102.538 -5.895 12.109 1.00 0.00 H new ATOM 0 HA LEU A 74 102.560 -5.561 9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 74 104.866 -5.963 11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.002 -5.300 9.648 1.00 0.00 H new ATOM 0 HG LEU A 74 103.387 -4.040 11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 74 105.209 -2.386 12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 74 105.775 -4.023 12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 74 106.136 -3.329 10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 74 103.354 -2.070 10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 74 104.209 -3.001 9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 74 102.567 -3.475 9.653 1.00 0.00 H new ATOM 1199 N GLU A 75 103.597 -8.479 10.402 1.00 0.00 N ATOM 1200 CA GLU A 75 103.953 -9.829 9.985 1.00 0.00 C ATOM 1201 C GLU A 75 102.855 -10.438 9.118 1.00 0.00 C ATOM 1202 O GLU A 75 103.136 -11.134 8.142 1.00 0.00 O ATOM 1203 CB GLU A 75 104.205 -10.714 11.207 1.00 0.00 C ATOM 1204 CG GLU A 75 105.019 -11.960 10.898 1.00 0.00 C ATOM 1205 CD GLU A 75 104.303 -13.237 11.293 1.00 0.00 C ATOM 1206 OE1 GLU A 75 103.200 -13.144 11.870 1.00 0.00 O ATOM 1207 OE2 GLU A 75 104.847 -14.329 11.025 1.00 0.00 O ATOM 0 H GLU A 75 103.475 -8.368 11.408 1.00 0.00 H new ATOM 0 HA GLU A 75 104.867 -9.770 9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 75 104.724 -10.130 11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 75 103.247 -11.012 11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 75 105.243 -11.988 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 75 105.973 -11.906 11.422 1.00 0.00 H new ATOM 1214 N GLU A 76 101.606 -10.172 9.482 1.00 0.00 N ATOM 1215 CA GLU A 76 100.465 -10.695 8.738 1.00 0.00 C ATOM 1216 C GLU A 76 100.684 -10.548 7.235 1.00 0.00 C ATOM 1217 O GLU A 76 100.618 -11.527 6.490 1.00 0.00 O ATOM 1218 CB GLU A 76 99.183 -9.968 9.151 1.00 0.00 C ATOM 1219 CG GLU A 76 98.574 -10.497 10.439 1.00 0.00 C ATOM 1220 CD GLU A 76 97.739 -11.744 10.219 1.00 0.00 C ATOM 1221 OE1 GLU A 76 96.668 -11.636 9.585 1.00 0.00 O ATOM 1222 OE2 GLU A 76 98.156 -12.827 10.680 1.00 0.00 O ATOM 0 H GLU A 76 101.357 -9.598 10.287 1.00 0.00 H new ATOM 0 HA GLU A 76 100.365 -11.755 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 76 99.399 -8.906 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 76 98.450 -10.056 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 76 99.371 -10.718 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 76 97.952 -9.722 10.888 1.00 0.00 H new ATOM 1229 N LEU A 77 100.944 -9.321 6.796 1.00 0.00 N ATOM 1230 CA LEU A 77 101.172 -9.048 5.382 1.00 0.00 C ATOM 1231 C LEU A 77 102.448 -9.728 4.896 1.00 0.00 C ATOM 1232 O LEU A 77 103.287 -10.140 5.696 1.00 0.00 O ATOM 1233 CB LEU A 77 101.260 -7.539 5.140 1.00 0.00 C ATOM 1234 CG LEU A 77 100.357 -7.009 4.025 1.00 0.00 C ATOM 1235 CD1 LEU A 77 99.472 -5.885 4.543 1.00 0.00 C ATOM 1236 CD2 LEU A 77 101.191 -6.533 2.845 1.00 0.00 C ATOM 0 H LEU A 77 101.002 -8.500 7.399 1.00 0.00 H new ATOM 0 HA LEU A 77 100.330 -9.451 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.009 -7.022 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 77 102.293 -7.284 4.903 1.00 0.00 H new ATOM 0 HG LEU A 77 99.715 -7.822 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 77 98.837 -5.521 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 98.848 -6.258 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 77 100.096 -5.070 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 77 100.532 -6.159 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 77 101.858 -5.735 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 77 101.781 -7.364 2.458 1.00 0.00 H new ATOM 1248 N GLY A 78 102.587 -9.842 3.579 1.00 0.00 N ATOM 1249 CA GLY A 78 103.764 -10.472 3.009 1.00 0.00 C ATOM 1250 C GLY A 78 105.036 -10.091 3.739 1.00 0.00 C ATOM 1251 O GLY A 78 105.048 -9.145 4.528 1.00 0.00 O ATOM 0 H GLY A 78 101.906 -9.509 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 78 103.643 -11.555 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 78 103.852 -10.189 1.960 1.00 0.00 H new ATOM 1255 N GLN A 79 106.111 -10.827 3.478 1.00 0.00 N ATOM 1256 CA GLN A 79 107.393 -10.560 4.117 1.00 0.00 C ATOM 1257 C GLN A 79 108.202 -9.545 3.316 1.00 0.00 C ATOM 1258 O GLN A 79 108.511 -8.459 3.805 1.00 0.00 O ATOM 1259 CB GLN A 79 108.191 -11.856 4.272 1.00 0.00 C ATOM 1260 CG GLN A 79 109.694 -11.660 4.156 1.00 0.00 C ATOM 1261 CD GLN A 79 110.239 -10.706 5.201 1.00 0.00 C ATOM 1262 OE1 GLN A 79 110.824 -9.675 4.873 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.049 -11.049 6.470 1.00 0.00 N ATOM 0 H GLN A 79 106.119 -11.613 2.828 1.00 0.00 H new ATOM 0 HA GLN A 79 107.196 -10.142 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.964 -12.299 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 79 107.866 -12.567 3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 79 110.191 -12.625 4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 79 109.932 -11.280 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.558 -11.914 6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 79 110.394 -10.447 7.218 1.00 0.00 H new ATOM 1272 N VAL A 80 108.543 -9.907 2.083 1.00 0.00 N ATOM 1273 CA VAL A 80 109.318 -9.022 1.218 1.00 0.00 C ATOM 1274 C VAL A 80 108.578 -7.716 0.962 1.00 0.00 C ATOM 1275 O VAL A 80 109.135 -6.631 1.135 1.00 0.00 O ATOM 1276 CB VAL A 80 109.638 -9.675 -0.143 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.011 -10.325 -0.118 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.566 -10.684 -0.530 1.00 0.00 C ATOM 0 H VAL A 80 108.297 -10.802 1.661 1.00 0.00 H new ATOM 0 HA VAL A 80 110.251 -8.824 1.746 1.00 0.00 H new ATOM 0 HB VAL A 80 109.647 -8.891 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.216 -10.779 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 80 111.767 -9.570 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.036 -11.093 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 80 108.816 -11.129 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.511 -11.465 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.602 -10.181 -0.602 1.00 0.00 H new ATOM 1288 N GLU A 81 107.319 -7.825 0.553 1.00 0.00 N ATOM 1289 CA GLU A 81 106.511 -6.648 0.268 1.00 0.00 C ATOM 1290 C GLU A 81 106.476 -5.718 1.472 1.00 0.00 C ATOM 1291 O GLU A 81 106.725 -4.519 1.347 1.00 0.00 O ATOM 1292 CB GLU A 81 105.088 -7.060 -0.114 1.00 0.00 C ATOM 1293 CG GLU A 81 105.021 -7.932 -1.358 1.00 0.00 C ATOM 1294 CD GLU A 81 103.901 -8.951 -1.295 1.00 0.00 C ATOM 1295 OE1 GLU A 81 102.722 -8.540 -1.306 1.00 0.00 O ATOM 1296 OE2 GLU A 81 104.203 -10.162 -1.234 1.00 0.00 O ATOM 0 H GLU A 81 106.838 -8.713 0.412 1.00 0.00 H new ATOM 0 HA GLU A 81 106.963 -6.118 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 81 104.637 -7.597 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.490 -6.163 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 81 104.882 -7.299 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.972 -8.450 -1.486 1.00 0.00 H new ATOM 1303 N LYS A 82 106.186 -6.277 2.641 1.00 0.00 N ATOM 1304 CA LYS A 82 106.134 -5.484 3.861 1.00 0.00 C ATOM 1305 C LYS A 82 107.463 -4.778 4.074 1.00 0.00 C ATOM 1306 O LYS A 82 107.504 -3.622 4.496 1.00 0.00 O ATOM 1307 CB LYS A 82 105.813 -6.372 5.064 1.00 0.00 C ATOM 1308 CG LYS A 82 105.715 -5.607 6.375 1.00 0.00 C ATOM 1309 CD LYS A 82 107.087 -5.377 6.989 1.00 0.00 C ATOM 1310 CE LYS A 82 107.244 -3.947 7.481 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.495 -3.708 8.746 1.00 0.00 N ATOM 0 H LYS A 82 105.985 -7.269 2.769 1.00 0.00 H new ATOM 0 HA LYS A 82 105.345 -4.739 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.870 -6.889 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.583 -7.138 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.227 -4.648 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.090 -6.161 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.236 -6.067 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 82 107.859 -5.596 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.301 -3.732 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 82 106.890 -3.258 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.472 -2.688 8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.523 -4.063 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.967 -4.205 9.528 1.00 0.00 H new ATOM 1325 N ALA A 83 108.550 -5.472 3.756 1.00 0.00 N ATOM 1326 CA ALA A 83 109.878 -4.898 3.888 1.00 0.00 C ATOM 1327 C ALA A 83 110.089 -3.825 2.830 1.00 0.00 C ATOM 1328 O ALA A 83 110.699 -2.787 3.087 1.00 0.00 O ATOM 1329 CB ALA A 83 110.942 -5.981 3.771 1.00 0.00 C ATOM 0 H ALA A 83 108.535 -6.430 3.406 1.00 0.00 H new ATOM 0 HA ALA A 83 109.966 -4.440 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 83 111.930 -5.533 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.797 -6.720 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.862 -6.466 2.798 1.00 0.00 H new ATOM 1335 N VAL A 84 109.566 -4.087 1.636 1.00 0.00 N ATOM 1336 CA VAL A 84 109.685 -3.158 0.522 1.00 0.00 C ATOM 1337 C VAL A 84 109.078 -1.809 0.870 1.00 0.00 C ATOM 1338 O VAL A 84 109.651 -0.761 0.572 1.00 0.00 O ATOM 1339 CB VAL A 84 108.991 -3.709 -0.736 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.005 -2.690 -1.288 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.019 -4.099 -1.787 1.00 0.00 C ATOM 0 H VAL A 84 109.053 -4.941 1.417 1.00 0.00 H new ATOM 0 HA VAL A 84 110.749 -3.034 0.320 1.00 0.00 H new ATOM 0 HB VAL A 84 108.435 -4.605 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.523 -3.095 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.249 -2.470 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.536 -1.774 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.509 -4.486 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.607 -3.224 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.679 -4.867 -1.383 1.00 0.00 H new ATOM 1351 N LEU A 85 107.916 -1.844 1.506 1.00 0.00 N ATOM 1352 CA LEU A 85 107.229 -0.627 1.900 1.00 0.00 C ATOM 1353 C LEU A 85 108.021 0.126 2.961 1.00 0.00 C ATOM 1354 O LEU A 85 107.985 1.355 3.016 1.00 0.00 O ATOM 1355 CB LEU A 85 105.832 -0.950 2.436 1.00 0.00 C ATOM 1356 CG LEU A 85 104.945 -1.772 1.500 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.852 -2.476 2.290 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.339 -0.883 0.424 1.00 0.00 C ATOM 0 H LEU A 85 107.430 -2.704 1.760 1.00 0.00 H new ATOM 0 HA LEU A 85 107.137 0.005 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.938 -1.491 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.323 -0.013 2.662 1.00 0.00 H new ATOM 0 HG LEU A 85 105.561 -2.528 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.229 -3.057 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.305 -3.141 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.238 -1.735 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.711 -1.484 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.735 -0.106 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.136 -0.422 -0.158 1.00 0.00 H new ATOM 1370 N ARG A 86 108.736 -0.613 3.806 1.00 0.00 N ATOM 1371 CA ARG A 86 109.514 0.007 4.870 1.00 0.00 C ATOM 1372 C ARG A 86 110.520 0.991 4.296 1.00 0.00 C ATOM 1373 O ARG A 86 110.603 2.138 4.737 1.00 0.00 O ATOM 1374 CB ARG A 86 110.239 -1.062 5.689 1.00 0.00 C ATOM 1375 CG ARG A 86 110.585 -0.617 7.100 1.00 0.00 C ATOM 1376 CD ARG A 86 110.537 -1.778 8.078 1.00 0.00 C ATOM 1377 NE ARG A 86 110.124 -1.354 9.413 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.167 -2.142 10.482 1.00 0.00 C ATOM 1379 NH1 ARG A 86 110.603 -3.389 10.371 1.00 0.00 N ATOM 1380 NH2 ARG A 86 109.774 -1.684 11.663 1.00 0.00 N ATOM 0 H ARG A 86 108.792 -1.631 3.774 1.00 0.00 H new ATOM 0 HA ARG A 86 108.829 0.550 5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.614 -1.954 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 86 111.156 -1.345 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 86 111.581 -0.174 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.888 0.158 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 86 109.845 -2.535 7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 86 111.520 -2.245 8.134 1.00 0.00 H new ATOM 0 HE ARG A 86 109.784 -0.400 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 86 110.906 -3.745 9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 86 110.636 -3.993 11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 86 109.438 -0.725 11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 86 109.808 -2.291 12.482 1.00 0.00 H new ATOM 1394 N ILE A 87 111.266 0.551 3.294 1.00 0.00 N ATOM 1395 CA ILE A 87 112.247 1.409 2.656 1.00 0.00 C ATOM 1396 C ILE A 87 111.560 2.552 1.923 1.00 0.00 C ATOM 1397 O ILE A 87 112.108 3.649 1.806 1.00 0.00 O ATOM 1398 CB ILE A 87 113.121 0.625 1.660 1.00 0.00 C ATOM 1399 CG1 ILE A 87 113.370 -0.794 2.173 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.439 1.348 1.427 1.00 0.00 C ATOM 1401 CD1 ILE A 87 112.761 -1.868 1.298 1.00 0.00 C ATOM 0 H ILE A 87 111.210 -0.391 2.908 1.00 0.00 H new ATOM 0 HA ILE A 87 112.887 1.808 3.443 1.00 0.00 H new ATOM 0 HB ILE A 87 112.592 0.560 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 87 114.444 -0.962 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.964 -0.884 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 87 115.045 0.781 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.243 2.341 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 87 114.975 1.441 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.977 -2.849 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.682 -1.725 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.185 -1.805 0.296 1.00 0.00 H new ATOM 1413 N ALA A 88 110.345 2.293 1.442 1.00 0.00 N ATOM 1414 CA ALA A 88 109.586 3.302 0.722 1.00 0.00 C ATOM 1415 C ALA A 88 109.352 4.523 1.592 1.00 0.00 C ATOM 1416 O ALA A 88 109.340 5.654 1.105 1.00 0.00 O ATOM 1417 CB ALA A 88 108.257 2.730 0.249 1.00 0.00 C ATOM 0 H ALA A 88 109.871 1.395 1.540 1.00 0.00 H new ATOM 0 HA ALA A 88 110.166 3.607 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.701 3.498 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.440 1.884 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.677 2.397 1.110 1.00 0.00 H new ATOM 1423 N LEU A 89 109.181 4.294 2.887 1.00 0.00 N ATOM 1424 CA LEU A 89 108.953 5.383 3.818 1.00 0.00 C ATOM 1425 C LEU A 89 110.144 6.329 3.822 1.00 0.00 C ATOM 1426 O LEU A 89 109.986 7.551 3.796 1.00 0.00 O ATOM 1427 CB LEU A 89 108.714 4.829 5.225 1.00 0.00 C ATOM 1428 CG LEU A 89 107.452 3.975 5.378 1.00 0.00 C ATOM 1429 CD1 LEU A 89 106.693 3.893 4.062 1.00 0.00 C ATOM 1430 CD2 LEU A 89 107.809 2.584 5.874 1.00 0.00 C ATOM 0 H LEU A 89 109.196 3.367 3.312 1.00 0.00 H new ATOM 0 HA LEU A 89 108.069 5.936 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.577 4.230 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.656 5.664 5.923 1.00 0.00 H new ATOM 0 HG LEU A 89 106.805 4.451 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 89 105.800 3.282 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 89 106.403 4.895 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 89 107.331 3.443 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 89 106.901 1.990 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 89 108.477 2.103 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 89 108.305 2.659 6.842 1.00 0.00 H new ATOM 1442 N TYR A 90 111.339 5.758 3.835 1.00 0.00 N ATOM 1443 CA TYR A 90 112.552 6.555 3.831 1.00 0.00 C ATOM 1444 C TYR A 90 112.725 7.262 2.499 1.00 0.00 C ATOM 1445 O TYR A 90 113.349 8.320 2.417 1.00 0.00 O ATOM 1446 CB TYR A 90 113.775 5.693 4.137 1.00 0.00 C ATOM 1447 CG TYR A 90 114.648 6.259 5.235 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.539 7.592 5.628 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.581 5.460 5.881 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.338 8.103 6.632 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.382 5.966 6.885 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.257 7.288 7.257 1.00 0.00 C ATOM 1453 OH TYR A 90 117.053 7.796 8.258 1.00 0.00 O ATOM 0 H TYR A 90 111.493 4.750 3.848 1.00 0.00 H new ATOM 0 HA TYR A 90 112.460 7.307 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.444 4.695 4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.370 5.584 3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.820 8.234 5.141 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.682 4.424 5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 90 115.243 9.138 6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.103 5.330 7.377 1.00 0.00 H new ATOM 0 HH TYR A 90 116.575 8.514 8.724 1.00 0.00 H new ATOM 1463 N GLU A 91 112.170 6.666 1.453 1.00 0.00 N ATOM 1464 CA GLU A 91 112.265 7.232 0.116 1.00 0.00 C ATOM 1465 C GLU A 91 111.824 8.688 0.124 1.00 0.00 C ATOM 1466 O GLU A 91 112.362 9.513 -0.615 1.00 0.00 O ATOM 1467 CB GLU A 91 111.409 6.429 -0.865 1.00 0.00 C ATOM 1468 CG GLU A 91 111.651 6.791 -2.322 1.00 0.00 C ATOM 1469 CD GLU A 91 111.016 5.805 -3.281 1.00 0.00 C ATOM 1470 OE1 GLU A 91 110.064 5.107 -2.873 1.00 0.00 O ATOM 1471 OE2 GLU A 91 111.471 5.730 -4.442 1.00 0.00 O ATOM 0 H GLU A 91 111.649 5.790 1.505 1.00 0.00 H new ATOM 0 HA GLU A 91 113.305 7.183 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.610 5.367 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.357 6.588 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 91 111.254 7.787 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 91 112.724 6.834 -2.508 1.00 0.00 H new ATOM 1478 N LEU A 92 110.847 9.004 0.967 1.00 0.00 N ATOM 1479 CA LEU A 92 110.347 10.368 1.066 1.00 0.00 C ATOM 1480 C LEU A 92 111.394 11.282 1.696 1.00 0.00 C ATOM 1481 O LEU A 92 111.601 12.410 1.245 1.00 0.00 O ATOM 1482 CB LEU A 92 109.057 10.396 1.886 1.00 0.00 C ATOM 1483 CG LEU A 92 107.991 9.396 1.438 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.335 8.737 2.641 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.951 10.084 0.569 1.00 0.00 C ATOM 0 H LEU A 92 110.388 8.337 1.588 1.00 0.00 H new ATOM 0 HA LEU A 92 110.135 10.732 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 92 109.302 10.201 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.635 11.400 1.840 1.00 0.00 H new ATOM 0 HG LEU A 92 108.474 8.618 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.579 8.029 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.090 8.210 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.864 9.499 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.199 9.359 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.473 10.882 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.435 10.506 -0.312 1.00 0.00 H new ATOM 1497 N SER A 93 112.050 10.788 2.739 1.00 0.00 N ATOM 1498 CA SER A 93 113.077 11.554 3.438 1.00 0.00 C ATOM 1499 C SER A 93 114.376 11.599 2.641 1.00 0.00 C ATOM 1500 O SER A 93 115.012 12.647 2.530 1.00 0.00 O ATOM 1501 CB SER A 93 113.333 10.952 4.821 1.00 0.00 C ATOM 1502 OG SER A 93 114.561 10.244 4.851 1.00 0.00 O ATOM 0 H SER A 93 111.889 9.856 3.121 1.00 0.00 H new ATOM 0 HA SER A 93 112.714 12.576 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 93 113.349 11.745 5.569 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.516 10.281 5.085 1.00 0.00 H new ATOM 0 HG SER A 93 114.566 9.630 5.615 1.00 0.00 H new ATOM 1508 N LYS A 94 114.771 10.453 2.095 1.00 0.00 N ATOM 1509 CA LYS A 94 116.001 10.362 1.318 1.00 0.00 C ATOM 1510 C LYS A 94 115.770 10.761 -0.137 1.00 0.00 C ATOM 1511 O LYS A 94 116.603 10.493 -1.002 1.00 0.00 O ATOM 1512 CB LYS A 94 116.565 8.943 1.391 1.00 0.00 C ATOM 1513 CG LYS A 94 116.894 8.493 2.807 1.00 0.00 C ATOM 1514 CD LYS A 94 117.332 9.663 3.675 1.00 0.00 C ATOM 1515 CE LYS A 94 117.409 9.270 5.142 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.734 9.600 5.737 1.00 0.00 N ATOM 0 H LYS A 94 114.257 9.576 2.177 1.00 0.00 H new ATOM 0 HA LYS A 94 116.722 11.058 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 94 115.844 8.251 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.467 8.887 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 94 116.020 8.016 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.685 7.744 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 94 118.306 10.020 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.631 10.489 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.624 9.783 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 94 117.223 8.201 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.746 9.316 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 119.482 9.090 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.901 10.624 5.665 1.00 0.00 H new ATOM 1530 N ARG A 95 114.640 11.410 -0.398 1.00 0.00 N ATOM 1531 CA ARG A 95 114.311 11.851 -1.748 1.00 0.00 C ATOM 1532 C ARG A 95 115.235 12.984 -2.186 1.00 0.00 C ATOM 1533 O ARG A 95 116.295 13.194 -1.597 1.00 0.00 O ATOM 1534 CB ARG A 95 112.853 12.310 -1.818 1.00 0.00 C ATOM 1535 CG ARG A 95 112.656 13.771 -1.448 1.00 0.00 C ATOM 1536 CD ARG A 95 111.205 14.068 -1.104 1.00 0.00 C ATOM 1537 NE ARG A 95 111.084 14.872 0.109 1.00 0.00 N ATOM 1538 CZ ARG A 95 111.409 16.159 0.175 1.00 0.00 C ATOM 1539 NH1 ARG A 95 111.873 16.784 -0.899 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.270 16.823 1.314 1.00 0.00 N ATOM 0 H ARG A 95 113.939 11.642 0.306 1.00 0.00 H new ATOM 0 HA ARG A 95 114.450 11.008 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.477 12.146 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.254 11.691 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 95 113.291 14.021 -0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 95 112.971 14.403 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 95 110.735 14.593 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 95 110.664 13.131 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 95 110.730 14.421 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 95 111.981 16.277 -1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 95 112.122 17.772 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.913 16.346 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 95 111.520 17.811 1.362 1.00 0.00 H new ATOM 1554 N SER A 96 114.827 13.713 -3.219 1.00 0.00 N ATOM 1555 CA SER A 96 115.623 14.824 -3.730 1.00 0.00 C ATOM 1556 C SER A 96 114.736 15.865 -4.408 1.00 0.00 C ATOM 1557 O SER A 96 114.222 16.774 -3.758 1.00 0.00 O ATOM 1558 CB SER A 96 116.679 14.314 -4.712 1.00 0.00 C ATOM 1559 OG SER A 96 117.893 14.017 -4.046 1.00 0.00 O ATOM 0 H SER A 96 113.952 13.555 -3.718 1.00 0.00 H new ATOM 0 HA SER A 96 116.124 15.298 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 96 116.310 13.421 -5.217 1.00 0.00 H new ATOM 0 HB3 SER A 96 116.857 15.065 -5.482 1.00 0.00 H new ATOM 0 HG SER A 96 117.699 13.697 -3.140 1.00 0.00 H new ATOM 1565 N ASP A 97 114.560 15.725 -5.719 1.00 0.00 N ATOM 1566 CA ASP A 97 113.736 16.654 -6.482 1.00 0.00 C ATOM 1567 C ASP A 97 112.465 15.971 -6.976 1.00 0.00 C ATOM 1568 O ASP A 97 111.986 16.246 -8.076 1.00 0.00 O ATOM 1569 CB ASP A 97 114.523 17.212 -7.670 1.00 0.00 C ATOM 1570 CG ASP A 97 115.160 18.552 -7.362 1.00 0.00 C ATOM 1571 OD1 ASP A 97 114.431 19.470 -6.931 1.00 0.00 O ATOM 1572 OD2 ASP A 97 116.387 18.684 -7.553 1.00 0.00 O ATOM 0 H ASP A 97 114.977 14.977 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 97 113.455 17.476 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.298 16.501 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 97 113.857 17.318 -8.526 1.00 0.00 H new ATOM 1577 N VAL A 98 111.926 15.077 -6.154 1.00 0.00 N ATOM 1578 CA VAL A 98 110.711 14.350 -6.503 1.00 0.00 C ATOM 1579 C VAL A 98 109.687 14.421 -5.375 1.00 0.00 C ATOM 1580 O VAL A 98 109.989 14.091 -4.228 1.00 0.00 O ATOM 1581 CB VAL A 98 111.014 12.872 -6.813 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.808 12.012 -5.575 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.153 12.377 -7.965 1.00 0.00 C ATOM 0 H VAL A 98 112.312 14.838 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 98 110.300 14.825 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 98 112.059 12.792 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 98 111.027 10.971 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 98 111.475 12.350 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.774 12.098 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.383 11.331 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.100 12.472 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 98 110.358 12.972 -8.855 1.00 0.00 H new ATOM 1593 N PRO A 99 108.457 14.853 -5.690 1.00 0.00 N ATOM 1594 CA PRO A 99 107.379 14.966 -4.704 1.00 0.00 C ATOM 1595 C PRO A 99 107.162 13.665 -3.940 1.00 0.00 C ATOM 1596 O PRO A 99 107.926 12.712 -4.092 1.00 0.00 O ATOM 1597 CB PRO A 99 106.139 15.309 -5.547 1.00 0.00 C ATOM 1598 CG PRO A 99 106.534 15.046 -6.964 1.00 0.00 C ATOM 1599 CD PRO A 99 108.017 15.259 -7.029 1.00 0.00 C ATOM 0 HA PRO A 99 107.604 15.714 -3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.286 14.696 -5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 99 105.846 16.350 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.273 14.030 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 99 106.013 15.719 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.480 14.654 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.268 16.298 -7.241 1.00 0.00 H new ATOM 1607 N TYR A 100 106.120 13.630 -3.116 1.00 0.00 N ATOM 1608 CA TYR A 100 105.814 12.442 -2.329 1.00 0.00 C ATOM 1609 C TYR A 100 104.950 11.467 -3.122 1.00 0.00 C ATOM 1610 O TYR A 100 105.158 10.256 -3.069 1.00 0.00 O ATOM 1611 CB TYR A 100 105.115 12.830 -1.020 1.00 0.00 C ATOM 1612 CG TYR A 100 103.619 13.038 -1.148 1.00 0.00 C ATOM 1613 CD1 TYR A 100 102.773 11.984 -1.471 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.053 14.290 -0.936 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.411 12.170 -1.582 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.689 14.483 -1.044 1.00 0.00 C ATOM 1617 CZ TYR A 100 100.872 13.421 -1.368 1.00 0.00 C ATOM 1618 OH TYR A 100 99.514 13.609 -1.476 1.00 0.00 O ATOM 0 H TYR A 100 105.475 14.408 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 100 106.754 11.946 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.299 12.052 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.566 13.746 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 100 103.190 11.002 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.689 15.125 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 100 100.769 11.339 -1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.265 15.462 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 100 99.298 14.547 -1.294 1.00 0.00 H new ATOM 1628 N LYS A 101 103.978 12.003 -3.854 1.00 0.00 N ATOM 1629 CA LYS A 101 103.078 11.178 -4.652 1.00 0.00 C ATOM 1630 C LYS A 101 103.852 10.346 -5.670 1.00 0.00 C ATOM 1631 O LYS A 101 103.458 9.226 -5.997 1.00 0.00 O ATOM 1632 CB LYS A 101 102.051 12.056 -5.369 1.00 0.00 C ATOM 1633 CG LYS A 101 100.612 11.636 -5.123 1.00 0.00 C ATOM 1634 CD LYS A 101 99.915 11.247 -6.416 1.00 0.00 C ATOM 1635 CE LYS A 101 98.406 11.200 -6.243 1.00 0.00 C ATOM 1636 NZ LYS A 101 97.691 11.446 -7.526 1.00 0.00 N ATOM 0 H LYS A 101 103.794 13.005 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 101 102.559 10.497 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.179 13.089 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 101 102.250 12.031 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.591 10.795 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.070 12.454 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 101 100.171 11.962 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 101 100.275 10.272 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 101 98.116 10.227 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 101 98.101 11.946 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 96.664 11.405 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 97.947 12.385 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 97.961 10.719 -8.219 1.00 0.00 H new ATOM 1650 N VAL A 102 104.951 10.899 -6.169 1.00 0.00 N ATOM 1651 CA VAL A 102 105.775 10.204 -7.150 1.00 0.00 C ATOM 1652 C VAL A 102 106.305 8.888 -6.591 1.00 0.00 C ATOM 1653 O VAL A 102 106.398 7.890 -7.305 1.00 0.00 O ATOM 1654 CB VAL A 102 106.965 11.071 -7.599 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.892 11.356 -6.428 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.720 10.397 -8.734 1.00 0.00 C ATOM 0 H VAL A 102 105.292 11.825 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 102 105.137 10.000 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 102 106.578 12.022 -7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.727 11.970 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.343 11.886 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 102 108.272 10.416 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.557 11.025 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 102 108.095 9.430 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 102 107.050 10.252 -9.581 1.00 0.00 H new ATOM 1666 N ALA A 103 106.652 8.895 -5.308 1.00 0.00 N ATOM 1667 CA ALA A 103 107.174 7.704 -4.650 1.00 0.00 C ATOM 1668 C ALA A 103 106.132 6.591 -4.612 1.00 0.00 C ATOM 1669 O ALA A 103 106.473 5.409 -4.615 1.00 0.00 O ATOM 1670 CB ALA A 103 107.638 8.042 -3.241 1.00 0.00 C ATOM 0 H ALA A 103 106.581 9.713 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 103 108.026 7.346 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 103 108.026 7.144 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.423 8.796 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.798 8.428 -2.664 1.00 0.00 H new ATOM 1676 N ILE A 104 104.860 6.977 -4.574 1.00 0.00 N ATOM 1677 CA ILE A 104 103.770 6.009 -4.534 1.00 0.00 C ATOM 1678 C ILE A 104 103.810 5.084 -5.744 1.00 0.00 C ATOM 1679 O ILE A 104 103.422 3.919 -5.661 1.00 0.00 O ATOM 1680 CB ILE A 104 102.399 6.709 -4.482 1.00 0.00 C ATOM 1681 CG1 ILE A 104 102.162 7.307 -3.094 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.290 5.731 -4.840 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.422 7.830 -2.440 1.00 0.00 C ATOM 0 H ILE A 104 104.560 7.952 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 104 103.904 5.420 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 104 102.392 7.518 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.440 8.120 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.716 6.548 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.328 6.241 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.454 5.347 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.292 4.903 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 104 103.180 8.239 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 104 104.138 7.016 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.857 8.612 -3.062 1.00 0.00 H new ATOM 1695 N ASN A 105 104.283 5.612 -6.866 1.00 0.00 N ATOM 1696 CA ASN A 105 104.376 4.836 -8.098 1.00 0.00 C ATOM 1697 C ASN A 105 105.265 3.611 -7.906 1.00 0.00 C ATOM 1698 O ASN A 105 105.072 2.584 -8.557 1.00 0.00 O ATOM 1699 CB ASN A 105 104.922 5.704 -9.232 1.00 0.00 C ATOM 1700 CG ASN A 105 104.552 5.168 -10.601 1.00 0.00 C ATOM 1701 OD1 ASN A 105 105.387 4.599 -11.305 1.00 0.00 O ATOM 1702 ND2 ASN A 105 103.293 5.345 -10.985 1.00 0.00 N ATOM 0 H ASN A 105 104.609 6.575 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 105 103.374 4.497 -8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 105 104.538 6.719 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 105 106.007 5.764 -9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 105 102.985 5.004 -11.895 1.00 0.00 H new ATOM 0 HD22 ASN A 105 102.634 5.822 -10.369 1.00 0.00 H new ATOM 1709 N GLU A 106 106.242 3.728 -7.013 1.00 0.00 N ATOM 1710 CA GLU A 106 107.164 2.630 -6.740 1.00 0.00 C ATOM 1711 C GLU A 106 106.517 1.577 -5.845 1.00 0.00 C ATOM 1712 O GLU A 106 106.825 0.389 -5.947 1.00 0.00 O ATOM 1713 CB GLU A 106 108.439 3.161 -6.080 1.00 0.00 C ATOM 1714 CG GLU A 106 109.427 3.765 -7.065 1.00 0.00 C ATOM 1715 CD GLU A 106 109.869 5.160 -6.665 1.00 0.00 C ATOM 1716 OE1 GLU A 106 109.386 5.660 -5.627 1.00 0.00 O ATOM 1717 OE2 GLU A 106 110.697 5.750 -7.389 1.00 0.00 O ATOM 0 H GLU A 106 106.416 4.571 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 106 107.419 2.162 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 106 108.169 3.915 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.926 2.347 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 106 110.301 3.118 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 106 108.972 3.802 -8.055 1.00 0.00 H new ATOM 1724 N ALA A 107 105.616 2.017 -4.973 1.00 0.00 N ATOM 1725 CA ALA A 107 104.926 1.112 -4.067 1.00 0.00 C ATOM 1726 C ALA A 107 104.506 -0.154 -4.798 1.00 0.00 C ATOM 1727 O ALA A 107 105.025 -1.240 -4.532 1.00 0.00 O ATOM 1728 CB ALA A 107 103.717 1.804 -3.459 1.00 0.00 C ATOM 0 H ALA A 107 105.348 2.996 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 107 105.608 0.832 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.207 1.118 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 107 104.042 2.685 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 107 103.033 2.106 -4.252 1.00 0.00 H new ATOM 1734 N ILE A 108 103.567 -0.007 -5.724 1.00 0.00 N ATOM 1735 CA ILE A 108 103.076 -1.138 -6.496 1.00 0.00 C ATOM 1736 C ILE A 108 104.220 -1.899 -7.155 1.00 0.00 C ATOM 1737 O ILE A 108 104.188 -3.126 -7.247 1.00 0.00 O ATOM 1738 CB ILE A 108 102.081 -0.695 -7.585 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.125 0.362 -7.034 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.309 -1.893 -8.115 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.851 0.503 -7.840 1.00 0.00 C ATOM 0 H ILE A 108 103.131 0.885 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 108 102.564 -1.793 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 108 102.640 -0.255 -8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.869 0.108 -6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.637 1.324 -7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.610 -1.564 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.005 -2.614 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.758 -2.360 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.220 1.270 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.097 0.788 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.317 -0.447 -7.846 1.00 0.00 H new ATOM 1753 N GLU A 109 105.228 -1.166 -7.611 1.00 0.00 N ATOM 1754 CA GLU A 109 106.380 -1.778 -8.261 1.00 0.00 C ATOM 1755 C GLU A 109 107.136 -2.673 -7.288 1.00 0.00 C ATOM 1756 O GLU A 109 107.539 -3.785 -7.634 1.00 0.00 O ATOM 1757 CB GLU A 109 107.314 -0.699 -8.814 1.00 0.00 C ATOM 1758 CG GLU A 109 106.927 -0.211 -10.200 1.00 0.00 C ATOM 1759 CD GLU A 109 108.007 0.639 -10.840 1.00 0.00 C ATOM 1760 OE1 GLU A 109 109.018 0.924 -10.164 1.00 0.00 O ATOM 1761 OE2 GLU A 109 107.843 1.020 -12.019 1.00 0.00 O ATOM 0 H GLU A 109 105.271 -0.149 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 109 106.019 -2.391 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.322 0.149 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.330 -1.092 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 109 106.719 -1.069 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 109 106.006 0.368 -10.134 1.00 0.00 H new ATOM 1768 N LEU A 110 107.320 -2.183 -6.066 1.00 0.00 N ATOM 1769 CA LEU A 110 108.025 -2.938 -5.038 1.00 0.00 C ATOM 1770 C LEU A 110 107.123 -4.010 -4.433 1.00 0.00 C ATOM 1771 O LEU A 110 107.513 -4.708 -3.495 1.00 0.00 O ATOM 1772 CB LEU A 110 108.528 -1.990 -3.949 1.00 0.00 C ATOM 1773 CG LEU A 110 109.275 -0.758 -4.461 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.209 -0.216 -3.390 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.050 -1.094 -5.727 1.00 0.00 C ATOM 0 H LEU A 110 106.990 -1.266 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 110 108.878 -3.436 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.677 -1.659 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.187 -2.545 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 110 108.544 0.014 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.732 0.660 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 110 109.630 0.063 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 110 110.935 -0.982 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.576 -0.206 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.772 -1.882 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.358 -1.434 -6.498 1.00 0.00 H new ATOM 1787 N ALA A 111 105.921 -4.144 -4.981 1.00 0.00 N ATOM 1788 CA ALA A 111 104.969 -5.136 -4.507 1.00 0.00 C ATOM 1789 C ALA A 111 104.537 -6.055 -5.645 1.00 0.00 C ATOM 1790 O ALA A 111 103.748 -6.978 -5.444 1.00 0.00 O ATOM 1791 CB ALA A 111 103.761 -4.456 -3.884 1.00 0.00 C ATOM 0 H ALA A 111 105.583 -3.575 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 111 105.457 -5.743 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.058 -5.212 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.083 -3.843 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.275 -3.825 -4.628 1.00 0.00 H new ATOM 1797 N LYS A 112 105.061 -5.796 -6.841 1.00 0.00 N ATOM 1798 CA LYS A 112 104.732 -6.601 -8.012 1.00 0.00 C ATOM 1799 C LYS A 112 105.930 -7.439 -8.443 1.00 0.00 C ATOM 1800 O LYS A 112 105.786 -8.603 -8.818 1.00 0.00 O ATOM 1801 CB LYS A 112 104.289 -5.700 -9.166 1.00 0.00 C ATOM 1802 CG LYS A 112 102.806 -5.793 -9.479 1.00 0.00 C ATOM 1803 CD LYS A 112 102.521 -5.439 -10.930 1.00 0.00 C ATOM 1804 CE LYS A 112 101.860 -4.075 -11.050 1.00 0.00 C ATOM 1805 NZ LYS A 112 102.339 -3.329 -12.246 1.00 0.00 N ATOM 0 H LYS A 112 105.715 -5.035 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 112 103.914 -7.271 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.536 -4.666 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 112 104.857 -5.962 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.452 -6.803 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.252 -5.121 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 112 103.452 -5.445 -11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 112 101.875 -6.198 -11.371 1.00 0.00 H new ATOM 0 HE2 LYS A 112 100.779 -4.200 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 112 102.065 -3.492 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 101.865 -2.405 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.367 -3.187 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 102.120 -3.873 -13.105 1.00 0.00 H new ATOM 1819 N SER A 113 107.113 -6.837 -8.384 1.00 0.00 N ATOM 1820 CA SER A 113 108.342 -7.521 -8.767 1.00 0.00 C ATOM 1821 C SER A 113 109.168 -7.880 -7.537 1.00 0.00 C ATOM 1822 O SER A 113 109.993 -8.793 -7.575 1.00 0.00 O ATOM 1823 CB SER A 113 109.166 -6.637 -9.705 1.00 0.00 C ATOM 1824 OG SER A 113 110.004 -7.419 -10.539 1.00 0.00 O ATOM 0 H SER A 113 107.246 -5.875 -8.074 1.00 0.00 H new ATOM 0 HA SER A 113 108.073 -8.442 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.499 -6.032 -10.319 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.773 -5.947 -9.119 1.00 0.00 H new ATOM 0 HG SER A 113 110.519 -6.830 -11.130 1.00 0.00 H new ATOM 1830 N PHE A 114 108.943 -7.152 -6.449 1.00 0.00 N ATOM 1831 CA PHE A 114 109.670 -7.388 -5.208 1.00 0.00 C ATOM 1832 C PHE A 114 108.840 -8.220 -4.235 1.00 0.00 C ATOM 1833 O PHE A 114 109.204 -8.372 -3.068 1.00 0.00 O ATOM 1834 CB PHE A 114 110.051 -6.055 -4.562 1.00 0.00 C ATOM 1835 CG PHE A 114 111.128 -5.316 -5.303 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.830 -4.600 -6.452 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.438 -5.337 -4.852 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.818 -3.918 -7.136 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.430 -4.657 -5.532 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.120 -3.947 -6.675 1.00 0.00 C ATOM 0 H PHE A 114 108.263 -6.393 -6.402 1.00 0.00 H new ATOM 0 HA PHE A 114 110.576 -7.945 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.165 -5.424 -4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.384 -6.238 -3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.814 -4.575 -6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.686 -5.891 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.573 -3.363 -8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.447 -4.681 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.894 -3.415 -7.208 1.00 0.00 H new ATOM 1850 N GLY A 115 107.726 -8.758 -4.720 1.00 0.00 N ATOM 1851 CA GLY A 115 106.867 -9.568 -3.875 1.00 0.00 C ATOM 1852 C GLY A 115 105.963 -10.485 -4.674 1.00 0.00 C ATOM 1853 O GLY A 115 106.421 -11.469 -5.256 1.00 0.00 O ATOM 0 H GLY A 115 107.403 -8.648 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.483 -10.166 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.257 -8.915 -3.251 1.00 0.00 H new ATOM 1857 N ALA A 116 104.673 -10.164 -4.702 1.00 0.00 N ATOM 1858 CA ALA A 116 103.700 -10.967 -5.435 1.00 0.00 C ATOM 1859 C ALA A 116 102.791 -10.088 -6.286 1.00 0.00 C ATOM 1860 O ALA A 116 102.571 -8.918 -5.974 1.00 0.00 O ATOM 1861 CB ALA A 116 102.875 -11.803 -4.469 1.00 0.00 C ATOM 0 H ALA A 116 104.277 -9.354 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 116 104.245 -11.633 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.153 -12.398 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.533 -12.466 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.347 -11.146 -3.778 1.00 0.00 H new ATOM 1867 N GLU A 117 102.266 -10.659 -7.366 1.00 0.00 N ATOM 1868 CA GLU A 117 101.381 -9.926 -8.264 1.00 0.00 C ATOM 1869 C GLU A 117 99.977 -9.814 -7.682 1.00 0.00 C ATOM 1870 O GLU A 117 99.320 -8.781 -7.815 1.00 0.00 O ATOM 1871 CB GLU A 117 101.325 -10.611 -9.630 1.00 0.00 C ATOM 1872 CG GLU A 117 101.078 -9.650 -10.782 1.00 0.00 C ATOM 1873 CD GLU A 117 100.340 -10.300 -11.936 1.00 0.00 C ATOM 1874 OE1 GLU A 117 100.853 -11.301 -12.480 1.00 0.00 O ATOM 1875 OE2 GLU A 117 99.250 -9.808 -12.295 1.00 0.00 O ATOM 0 H GLU A 117 102.438 -11.626 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 117 101.784 -8.920 -8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 117 102.264 -11.138 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.535 -11.362 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.502 -8.797 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 117 102.033 -9.263 -11.138 1.00 0.00 H new ATOM 1882 N ASP A 118 99.519 -10.884 -7.036 1.00 0.00 N ATOM 1883 CA ASP A 118 98.190 -10.904 -6.435 1.00 0.00 C ATOM 1884 C ASP A 118 97.829 -9.535 -5.869 1.00 0.00 C ATOM 1885 O ASP A 118 97.281 -8.687 -6.574 1.00 0.00 O ATOM 1886 CB ASP A 118 98.123 -11.961 -5.330 1.00 0.00 C ATOM 1887 CG ASP A 118 97.466 -13.245 -5.796 1.00 0.00 C ATOM 1888 OD1 ASP A 118 96.218 -13.299 -5.818 1.00 0.00 O ATOM 1889 OD2 ASP A 118 98.199 -14.196 -6.138 1.00 0.00 O ATOM 0 H ASP A 118 100.049 -11.747 -6.916 1.00 0.00 H new ATOM 0 HA ASP A 118 97.470 -11.156 -7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 118 99.131 -12.179 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 118 97.569 -11.560 -4.481 1.00 0.00 H new ATOM 1894 N SER A 119 98.143 -9.322 -4.597 1.00 0.00 N ATOM 1895 CA SER A 119 97.857 -8.051 -3.940 1.00 0.00 C ATOM 1896 C SER A 119 99.036 -7.096 -4.081 1.00 0.00 C ATOM 1897 O SER A 119 100.003 -7.172 -3.323 1.00 0.00 O ATOM 1898 CB SER A 119 97.539 -8.278 -2.461 1.00 0.00 C ATOM 1899 OG SER A 119 96.680 -9.391 -2.288 1.00 0.00 O ATOM 0 H SER A 119 98.596 -10.013 -3.999 1.00 0.00 H new ATOM 0 HA SER A 119 96.989 -7.603 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.464 -8.440 -1.908 1.00 0.00 H new ATOM 0 HB3 SER A 119 97.071 -7.386 -2.046 1.00 0.00 H new ATOM 0 HG SER A 119 96.494 -9.515 -1.334 1.00 0.00 H new ATOM 1905 N HIS A 120 98.955 -6.201 -5.061 1.00 0.00 N ATOM 1906 CA HIS A 120 100.021 -5.238 -5.304 1.00 0.00 C ATOM 1907 C HIS A 120 99.481 -3.811 -5.333 1.00 0.00 C ATOM 1908 O HIS A 120 100.131 -2.882 -4.855 1.00 0.00 O ATOM 1909 CB HIS A 120 100.724 -5.551 -6.625 1.00 0.00 C ATOM 1910 CG HIS A 120 99.805 -5.541 -7.806 1.00 0.00 C ATOM 1911 ND1 HIS A 120 99.986 -4.714 -8.895 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.689 -6.263 -8.066 1.00 0.00 C ATOM 1913 CE1 HIS A 120 99.021 -4.927 -9.772 1.00 0.00 C ATOM 1914 NE2 HIS A 120 98.222 -5.862 -9.294 1.00 0.00 N ATOM 0 H HIS A 120 98.163 -6.124 -5.699 1.00 0.00 H new ATOM 0 HA HIS A 120 100.736 -5.317 -4.485 1.00 0.00 H new ATOM 0 HB2 HIS A 120 101.518 -4.822 -6.786 1.00 0.00 H new ATOM 0 HB3 HIS A 120 101.199 -6.529 -6.552 1.00 0.00 H new ATOM 0 HD2 HIS A 120 98.248 -7.014 -7.427 1.00 0.00 H new ATOM 0 HE1 HIS A 120 98.906 -4.422 -10.719 1.00 0.00 H new ATOM 0 HE2 HIS A 120 97.392 -6.228 -9.761 1.00 0.00 H new ATOM 1923 N LYS A 121 98.292 -3.642 -5.901 1.00 0.00 N ATOM 1924 CA LYS A 121 97.672 -2.324 -5.997 1.00 0.00 C ATOM 1925 C LYS A 121 97.461 -1.712 -4.616 1.00 0.00 C ATOM 1926 O LYS A 121 97.643 -0.509 -4.425 1.00 0.00 O ATOM 1927 CB LYS A 121 96.334 -2.420 -6.733 1.00 0.00 C ATOM 1928 CG LYS A 121 96.433 -3.097 -8.090 1.00 0.00 C ATOM 1929 CD LYS A 121 95.059 -3.458 -8.635 1.00 0.00 C ATOM 1930 CE LYS A 121 95.007 -3.322 -10.147 1.00 0.00 C ATOM 1931 NZ LYS A 121 95.879 -4.321 -10.825 1.00 0.00 N ATOM 0 H LYS A 121 97.738 -4.399 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 121 98.346 -1.677 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.626 -2.970 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.929 -1.417 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 121 96.941 -2.436 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 121 97.040 -3.998 -8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.811 -4.481 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 121 94.306 -2.811 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 121 93.979 -3.447 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 121 95.317 -2.317 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 95.514 -4.508 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 96.848 -3.948 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 95.885 -5.205 -10.277 1.00 0.00 H new ATOM 1945 N PHE A 122 97.079 -2.546 -3.655 1.00 0.00 N ATOM 1946 CA PHE A 122 96.840 -2.084 -2.294 1.00 0.00 C ATOM 1947 C PHE A 122 98.094 -1.444 -1.708 1.00 0.00 C ATOM 1948 O PHE A 122 98.011 -0.501 -0.920 1.00 0.00 O ATOM 1949 CB PHE A 122 96.387 -3.248 -1.409 1.00 0.00 C ATOM 1950 CG PHE A 122 97.525 -4.038 -0.828 1.00 0.00 C ATOM 1951 CD1 PHE A 122 98.185 -3.594 0.306 1.00 0.00 C ATOM 1952 CD2 PHE A 122 97.934 -5.224 -1.417 1.00 0.00 C ATOM 1953 CE1 PHE A 122 99.233 -4.318 0.843 1.00 0.00 C ATOM 1954 CE2 PHE A 122 98.981 -5.952 -0.884 1.00 0.00 C ATOM 1955 CZ PHE A 122 99.631 -5.500 0.247 1.00 0.00 C ATOM 0 H PHE A 122 96.928 -3.545 -3.794 1.00 0.00 H new ATOM 0 HA PHE A 122 96.051 -1.332 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.773 -2.859 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 122 95.754 -3.915 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 122 97.877 -2.672 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 122 97.429 -5.583 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 122 99.740 -3.961 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 122 99.291 -6.875 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 122 100.449 -6.069 0.665 1.00 0.00 H new ATOM 1965 N VAL A 123 99.253 -1.961 -2.097 1.00 0.00 N ATOM 1966 CA VAL A 123 100.522 -1.436 -1.609 1.00 0.00 C ATOM 1967 C VAL A 123 100.683 0.039 -1.959 1.00 0.00 C ATOM 1968 O VAL A 123 101.188 0.830 -1.161 1.00 0.00 O ATOM 1969 CB VAL A 123 101.720 -2.217 -2.180 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.371 -3.687 -2.344 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.178 -1.619 -3.503 1.00 0.00 C ATOM 0 H VAL A 123 99.340 -2.742 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 123 100.507 -1.552 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 123 102.545 -2.138 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.230 -4.222 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.105 -4.108 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.527 -3.787 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.025 -2.188 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.360 -1.658 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.477 -0.582 -3.349 1.00 0.00 H new ATOM 1981 N ASN A 124 100.260 0.402 -3.164 1.00 0.00 N ATOM 1982 CA ASN A 124 100.369 1.779 -3.632 1.00 0.00 C ATOM 1983 C ASN A 124 99.683 2.749 -2.678 1.00 0.00 C ATOM 1984 O ASN A 124 100.226 3.808 -2.359 1.00 0.00 O ATOM 1985 CB ASN A 124 99.761 1.914 -5.029 1.00 0.00 C ATOM 1986 CG ASN A 124 98.659 2.954 -5.082 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.551 2.726 -4.596 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.958 4.104 -5.674 1.00 0.00 N ATOM 0 H ASN A 124 99.838 -0.239 -3.836 1.00 0.00 H new ATOM 0 HA ASN A 124 101.429 2.031 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.544 2.182 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.362 0.950 -5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 124 98.256 4.841 -5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.889 4.250 -6.063 1.00 0.00 H new ATOM 1995 N GLY A 125 98.490 2.386 -2.224 1.00 0.00 N ATOM 1996 CA GLY A 125 97.757 3.251 -1.325 1.00 0.00 C ATOM 1997 C GLY A 125 98.508 3.520 -0.038 1.00 0.00 C ATOM 1998 O GLY A 125 98.422 4.617 0.515 1.00 0.00 O ATOM 0 H GLY A 125 98.020 1.512 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.549 4.197 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.795 2.796 -1.092 1.00 0.00 H new ATOM 2002 N VAL A 126 99.259 2.533 0.436 1.00 0.00 N ATOM 2003 CA VAL A 126 100.028 2.704 1.661 1.00 0.00 C ATOM 2004 C VAL A 126 100.999 3.861 1.522 1.00 0.00 C ATOM 2005 O VAL A 126 101.177 4.653 2.447 1.00 0.00 O ATOM 2006 CB VAL A 126 100.837 1.448 2.027 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.163 0.189 1.506 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.261 1.571 1.498 1.00 0.00 C ATOM 0 H VAL A 126 99.351 1.617 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 126 99.303 2.899 2.451 1.00 0.00 H new ATOM 0 HB VAL A 126 100.878 1.367 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.758 -0.682 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.168 0.101 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.079 0.244 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.826 0.677 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.238 1.679 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.739 2.446 1.939 1.00 0.00 H new ATOM 2018 N LEU A 127 101.636 3.952 0.358 1.00 0.00 N ATOM 2019 CA LEU A 127 102.594 5.012 0.108 1.00 0.00 C ATOM 2020 C LEU A 127 101.889 6.355 0.025 1.00 0.00 C ATOM 2021 O LEU A 127 102.451 7.383 0.398 1.00 0.00 O ATOM 2022 CB LEU A 127 103.386 4.738 -1.173 1.00 0.00 C ATOM 2023 CG LEU A 127 104.888 4.502 -0.972 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.652 4.792 -2.252 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.422 5.362 0.165 1.00 0.00 C ATOM 0 H LEU A 127 101.504 3.306 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 127 103.297 5.042 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.959 3.864 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.254 5.582 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 127 105.033 3.454 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.716 4.619 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.295 4.135 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.494 5.831 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.489 5.178 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.260 6.414 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.900 5.110 1.088 1.00 0.00 H new ATOM 2037 N ASP A 128 100.648 6.340 -0.450 1.00 0.00 N ATOM 2038 CA ASP A 128 99.872 7.565 -0.560 1.00 0.00 C ATOM 2039 C ASP A 128 99.683 8.176 0.820 1.00 0.00 C ATOM 2040 O ASP A 128 99.861 9.378 1.008 1.00 0.00 O ATOM 2041 CB ASP A 128 98.512 7.282 -1.202 1.00 0.00 C ATOM 2042 CG ASP A 128 97.938 8.499 -1.901 1.00 0.00 C ATOM 2043 OD1 ASP A 128 98.592 9.011 -2.834 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.836 8.941 -1.514 1.00 0.00 O ATOM 0 H ASP A 128 100.163 5.499 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 128 100.411 8.269 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.615 6.469 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.815 6.944 -0.435 1.00 0.00 H new ATOM 2049 N LYS A 129 99.333 7.333 1.784 1.00 0.00 N ATOM 2050 CA LYS A 129 99.135 7.778 3.155 1.00 0.00 C ATOM 2051 C LYS A 129 100.474 7.964 3.870 1.00 0.00 C ATOM 2052 O LYS A 129 100.668 8.934 4.601 1.00 0.00 O ATOM 2053 CB LYS A 129 98.271 6.775 3.919 1.00 0.00 C ATOM 2054 CG LYS A 129 97.152 6.175 3.083 1.00 0.00 C ATOM 2055 CD LYS A 129 96.314 7.254 2.418 1.00 0.00 C ATOM 2056 CE LYS A 129 94.831 7.047 2.677 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.305 5.847 1.969 1.00 0.00 N ATOM 0 H LYS A 129 99.180 6.335 1.639 1.00 0.00 H new ATOM 0 HA LYS A 129 98.624 8.740 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.906 5.971 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.838 7.269 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.576 5.521 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.515 5.556 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 129 96.616 8.232 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 129 96.501 7.251 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 129 94.661 6.940 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.279 7.930 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 93.290 5.741 2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 94.443 5.960 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 94.813 5.001 2.296 1.00 0.00 H new ATOM 2071 N ALA A 130 101.389 7.014 3.668 1.00 0.00 N ATOM 2072 CA ALA A 130 102.700 7.065 4.309 1.00 0.00 C ATOM 2073 C ALA A 130 103.603 8.147 3.716 1.00 0.00 C ATOM 2074 O ALA A 130 104.523 8.623 4.377 1.00 0.00 O ATOM 2075 CB ALA A 130 103.379 5.707 4.211 1.00 0.00 C ATOM 0 H ALA A 130 101.245 6.203 3.067 1.00 0.00 H new ATOM 0 HA ALA A 130 102.537 7.323 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.356 5.753 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.765 4.956 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.503 5.437 3.162 1.00 0.00 H new ATOM 2081 N ALA A 131 103.354 8.522 2.467 1.00 0.00 N ATOM 2082 CA ALA A 131 104.174 9.532 1.803 1.00 0.00 C ATOM 2083 C ALA A 131 104.085 10.887 2.494 1.00 0.00 C ATOM 2084 O ALA A 131 105.077 11.395 3.018 1.00 0.00 O ATOM 2085 CB ALA A 131 103.779 9.657 0.342 1.00 0.00 C ATOM 0 H ALA A 131 102.597 8.146 1.896 1.00 0.00 H new ATOM 0 HA ALA A 131 105.211 9.202 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.399 10.413 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.923 8.699 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.731 9.949 0.272 1.00 0.00 H new ATOM 2091 N PRO A 132 102.892 11.493 2.501 1.00 0.00 N ATOM 2092 CA PRO A 132 102.661 12.805 3.124 1.00 0.00 C ATOM 2093 C PRO A 132 102.863 12.785 4.637 1.00 0.00 C ATOM 2094 O PRO A 132 101.985 13.192 5.397 1.00 0.00 O ATOM 2095 CB PRO A 132 101.198 13.103 2.782 1.00 0.00 C ATOM 2096 CG PRO A 132 100.593 11.763 2.545 1.00 0.00 C ATOM 2097 CD PRO A 132 101.670 10.949 1.894 1.00 0.00 C ATOM 0 HA PRO A 132 103.364 13.555 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.698 13.626 3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.117 13.737 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.268 11.308 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.714 11.836 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.554 9.885 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.668 11.067 0.810 1.00 0.00 H new ATOM 2105 N VAL A 133 104.032 12.322 5.063 1.00 0.00 N ATOM 2106 CA VAL A 133 104.368 12.260 6.478 1.00 0.00 C ATOM 2107 C VAL A 133 105.806 12.710 6.697 1.00 0.00 C ATOM 2108 O VAL A 133 106.076 13.597 7.506 1.00 0.00 O ATOM 2109 CB VAL A 133 104.191 10.842 7.047 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.881 10.725 8.396 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.715 10.491 7.160 1.00 0.00 C ATOM 0 H VAL A 133 104.767 11.982 4.443 1.00 0.00 H new ATOM 0 HA VAL A 133 103.684 12.927 7.002 1.00 0.00 H new ATOM 0 HB VAL A 133 104.655 10.132 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.747 9.716 8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.945 10.931 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 133 104.446 11.444 9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.610 9.484 7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 133 102.222 11.202 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 133 102.254 10.535 6.173 1.00 0.00 H new ATOM 2121 N ILE A 134 106.728 12.101 5.955 1.00 0.00 N ATOM 2122 CA ILE A 134 108.138 12.453 6.053 1.00 0.00 C ATOM 2123 C ILE A 134 108.341 13.909 5.653 1.00 0.00 C ATOM 2124 O ILE A 134 109.223 14.593 6.173 1.00 0.00 O ATOM 2125 CB ILE A 134 109.010 11.558 5.147 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.471 10.308 5.903 1.00 0.00 C ATOM 2127 CG2 ILE A 134 110.209 12.336 4.633 1.00 0.00 C ATOM 2128 CD1 ILE A 134 108.507 9.153 5.788 1.00 0.00 C ATOM 0 H ILE A 134 106.522 11.363 5.281 1.00 0.00 H new ATOM 0 HA ILE A 134 108.443 12.301 7.089 1.00 0.00 H new ATOM 0 HB ILE A 134 108.407 11.241 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.444 9.999 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.605 10.557 6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.815 11.692 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 134 109.865 13.196 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.809 12.679 5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 134 108.893 8.300 6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 134 107.539 9.445 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 134 108.391 8.879 4.739 1.00 0.00 H new ATOM 2140 N ARG A 135 107.511 14.372 4.724 1.00 0.00 N ATOM 2141 CA ARG A 135 107.578 15.742 4.242 1.00 0.00 C ATOM 2142 C ARG A 135 106.773 16.669 5.148 1.00 0.00 C ATOM 2143 O ARG A 135 106.058 16.215 6.040 1.00 0.00 O ATOM 2144 CB ARG A 135 107.044 15.817 2.810 1.00 0.00 C ATOM 2145 CG ARG A 135 108.127 16.042 1.767 1.00 0.00 C ATOM 2146 CD ARG A 135 107.534 16.465 0.433 1.00 0.00 C ATOM 2147 NE ARG A 135 108.437 17.336 -0.314 1.00 0.00 N ATOM 2148 CZ ARG A 135 108.476 18.656 -0.167 1.00 0.00 C ATOM 2149 NH1 ARG A 135 107.665 19.253 0.696 1.00 0.00 N ATOM 2150 NH2 ARG A 135 109.327 19.380 -0.881 1.00 0.00 N ATOM 0 H ARG A 135 106.779 13.811 4.288 1.00 0.00 H new ATOM 0 HA ARG A 135 108.619 16.064 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 135 106.516 14.892 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 135 106.315 16.625 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.819 16.808 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.704 15.127 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 135 107.310 15.579 -0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.590 16.982 0.603 1.00 0.00 H new ATOM 0 HE ARG A 135 109.073 16.907 -0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 135 107.010 18.699 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 135 107.696 20.266 0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.953 18.924 -1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 135 109.355 20.393 -0.767 1.00 0.00 H new ATOM 2164 N PRO A 136 106.881 17.986 4.924 1.00 0.00 N ATOM 2165 CA PRO A 136 106.163 18.988 5.718 1.00 0.00 C ATOM 2166 C PRO A 136 104.651 18.791 5.674 1.00 0.00 C ATOM 2167 O PRO A 136 103.923 19.326 6.509 1.00 0.00 O ATOM 2168 CB PRO A 136 106.549 20.321 5.062 1.00 0.00 C ATOM 2169 CG PRO A 136 107.086 19.956 3.720 1.00 0.00 C ATOM 2170 CD PRO A 136 107.710 18.602 3.881 1.00 0.00 C ATOM 0 HA PRO A 136 106.428 18.929 6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 136 105.686 20.981 4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 136 107.296 20.850 5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 136 106.291 19.934 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 136 107.820 20.687 3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 136 107.683 18.031 2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 136 108.755 18.671 4.183 1.00 0.00 H new ATOM 2178 N ASN A 137 104.182 18.022 4.694 1.00 0.00 N ATOM 2179 CA ASN A 137 102.756 17.761 4.546 1.00 0.00 C ATOM 2180 C ASN A 137 102.467 17.053 3.226 1.00 0.00 C ATOM 2181 O ASN A 137 103.385 16.630 2.523 1.00 0.00 O ATOM 2182 CB ASN A 137 101.969 19.069 4.615 1.00 0.00 C ATOM 2183 CG ASN A 137 102.791 20.266 4.179 1.00 0.00 C ATOM 2184 OD1 ASN A 137 103.362 20.277 3.089 1.00 0.00 O ATOM 2185 ND2 ASN A 137 102.855 21.282 5.031 1.00 0.00 N ATOM 0 H ASN A 137 104.769 17.570 3.993 1.00 0.00 H new ATOM 0 HA ASN A 137 102.444 17.111 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 137 101.084 18.991 3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 137 101.619 19.225 5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 137 103.394 22.115 4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 137 102.366 21.230 5.924 1.00 0.00 H new ATOM 2192 N LYS A 138 101.186 16.930 2.896 1.00 0.00 N ATOM 2193 CA LYS A 138 100.775 16.275 1.659 1.00 0.00 C ATOM 2194 C LYS A 138 100.738 17.271 0.505 1.00 0.00 C ATOM 2195 O LYS A 138 99.667 17.637 0.021 1.00 0.00 O ATOM 2196 CB LYS A 138 99.401 15.626 1.833 1.00 0.00 C ATOM 2197 CG LYS A 138 98.323 16.595 2.289 1.00 0.00 C ATOM 2198 CD LYS A 138 96.932 16.011 2.099 1.00 0.00 C ATOM 2199 CE LYS A 138 96.228 15.808 3.431 1.00 0.00 C ATOM 2200 NZ LYS A 138 96.749 14.620 4.161 1.00 0.00 N ATOM 0 H LYS A 138 100.415 17.275 3.467 1.00 0.00 H new ATOM 0 HA LYS A 138 101.506 15.501 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 138 99.098 15.178 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 138 99.480 14.816 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 138 98.475 16.841 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 138 98.408 17.526 1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 138 96.340 16.676 1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 138 97.005 15.058 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 138 96.356 16.697 4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 138 95.158 15.689 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 96.242 14.517 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 96.604 13.767 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 97.765 14.744 4.346 1.00 0.00 H new ATOM 2214 N LYS A 139 101.916 17.705 0.067 1.00 0.00 N ATOM 2215 CA LYS A 139 102.019 18.658 -1.031 1.00 0.00 C ATOM 2216 C LYS A 139 102.608 17.997 -2.273 1.00 0.00 C ATOM 2217 O LYS A 139 103.844 18.061 -2.446 1.00 0.00 O ATOM 2218 CB LYS A 139 102.881 19.853 -0.618 1.00 0.00 C ATOM 2219 CG LYS A 139 102.118 20.916 0.154 1.00 0.00 C ATOM 2220 CD LYS A 139 101.189 21.705 -0.755 1.00 0.00 C ATOM 2221 CE LYS A 139 101.887 22.118 -2.040 1.00 0.00 C ATOM 2222 NZ LYS A 139 101.118 23.156 -2.782 1.00 0.00 N ATOM 2223 OXT LYS A 139 101.830 17.420 -3.061 1.00 0.00 O ATOM 0 H LYS A 139 102.812 17.411 0.456 1.00 0.00 H new ATOM 0 HA LYS A 139 101.015 19.008 -1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 139 103.711 19.498 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 139 103.313 20.304 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 139 101.538 20.445 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 139 102.823 21.595 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 139 100.313 21.102 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 139 100.833 22.592 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 139 102.881 22.500 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 139 102.023 21.243 -2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 101.628 23.410 -3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 100.179 22.783 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 101.010 24.001 -2.185 1.00 0.00 H new TER 2237 LYS A 139