USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 978 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 41 MET CE :methyl -149:sc= -0.027 (180deg=-0.274) USER MOD Set 1.2: A 43 MET CE :methyl 151:sc= -0.673 (180deg=-0.501) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.577 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.0831 (180deg=-0.506) USER MOD Single : A 4 GLN : amide:sc= 0.5 X(o=0.5,f=0) USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.32) USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= 1.09 (180deg=0.0824) USER MOD Single : A 12 SER OG : rot 79:sc= 0.384 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 30 SER OG : rot -72:sc= 0.969 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 32 TYR OH : rot -7:sc= 0.19 USER MOD Single : A 33 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.032) USER MOD Single : A 36 HIS : no HE2:sc= 0.407 K(o=0.41,f=-4!) USER MOD Single : A 38 MET CE :methyl -161:sc= -0.15 (180deg=-0.789) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 85:sc= 0.00864 USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 0.487 (180deg=0.275) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 94:sc= 1.26 USER MOD Single : A 71 GLN : amide:sc= 0.237 K(o=0.24,f=-4!) USER MOD Single : A 72 THR OG1 : rot 77:sc= 2.2 USER MOD Single : A 73 SER OG : rot 89:sc=0.000592 USER MOD Single : A 74 GLN : amide:sc= -0.858 K(o=-0.86,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.201 K(o=-0.2,f=-2.9!) USER MOD Single : A 88 SER OG : rot 105:sc= 0.832 USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 2.39 (180deg=0.168) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.15) USER MOD Single : A 104 THR OG1 : rot 149:sc= 0.739 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc=-0.00298 K(o=-0.003,f=-0.66) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.52) USER MOD Single : A 128 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-4.6!) USER MOD Single : A 129 HIS : no HD1:sc=-0.00314 X(o=-0.0031,f=-0.0031) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 131 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.056) USER MOD Single : A 132 HIS : no HD1:sc= -0.0985 X(o=-0.099,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.278 -0.696 14.011 1.00 2.45 N ATOM 2 CA MET A 1 -3.192 -0.854 13.004 1.00 53.33 C ATOM 3 C MET A 1 -1.987 0.040 13.339 1.00 24.34 C ATOM 4 O MET A 1 -2.129 1.246 13.537 1.00 50.32 O ATOM 5 CB MET A 1 -3.729 -0.552 11.594 1.00 50.45 C ATOM 6 CG MET A 1 -4.287 0.857 11.417 1.00 21.32 C ATOM 7 SD MET A 1 -3.127 1.970 10.601 1.00 64.33 S ATOM 8 CE MET A 1 -3.086 1.261 8.956 1.00 13.31 C ATOM 0 H1 MET A 1 -5.186 -0.976 13.589 1.00 2.45 H new ATOM 0 H2 MET A 1 -4.078 -1.299 14.835 1.00 2.45 H new ATOM 0 H3 MET A 1 -4.329 0.298 14.314 1.00 2.45 H new ATOM 0 HA MET A 1 -2.848 -1.888 13.030 1.00 53.33 H new ATOM 0 HB2 MET A 1 -2.926 -0.704 10.873 1.00 50.45 H new ATOM 0 HB3 MET A 1 -4.512 -1.272 11.355 1.00 50.45 H new ATOM 0 HG2 MET A 1 -5.207 0.808 10.835 1.00 21.32 H new ATOM 0 HG3 MET A 1 -4.549 1.265 12.393 1.00 21.32 H new ATOM 0 HE1 MET A 1 -2.634 1.972 8.265 1.00 13.31 H new ATOM 0 HE2 MET A 1 -2.497 0.344 8.970 1.00 13.31 H new ATOM 0 HE3 MET A 1 -4.102 1.035 8.632 1.00 13.31 H new ATOM 20 N GLU A 2 -0.806 -0.567 13.413 1.00 71.24 N ATOM 21 CA GLU A 2 0.426 0.153 13.771 1.00 33.31 C ATOM 22 C GLU A 2 1.147 0.704 12.523 1.00 1.11 C ATOM 23 O GLU A 2 0.999 0.166 11.424 1.00 0.10 O ATOM 24 CB GLU A 2 1.367 -0.769 14.569 1.00 50.21 C ATOM 25 CG GLU A 2 0.936 -1.013 16.017 1.00 62.52 C ATOM 26 CD GLU A 2 -0.396 -1.739 16.142 1.00 4.22 C ATOM 27 OE1 GLU A 2 -0.420 -2.979 15.987 1.00 15.24 O ATOM 28 OE2 GLU A 2 -1.424 -1.077 16.406 1.00 10.50 O ATOM 0 H GLU A 2 -0.669 -1.561 13.230 1.00 71.24 H new ATOM 0 HA GLU A 2 0.146 1.004 14.392 1.00 33.31 H new ATOM 0 HB2 GLU A 2 1.436 -1.729 14.057 1.00 50.21 H new ATOM 0 HB3 GLU A 2 2.367 -0.335 14.569 1.00 50.21 H new ATOM 0 HG2 GLU A 2 1.706 -1.595 16.523 1.00 62.52 H new ATOM 0 HG3 GLU A 2 0.868 -0.056 16.533 1.00 62.52 H new ATOM 35 N PRO A 3 1.947 1.787 12.686 1.00 73.42 N ATOM 36 CA PRO A 3 2.640 2.464 11.566 1.00 14.42 C ATOM 37 C PRO A 3 3.425 1.531 10.625 1.00 43.51 C ATOM 38 O PRO A 3 3.622 1.859 9.458 1.00 54.40 O ATOM 39 CB PRO A 3 3.602 3.423 12.276 1.00 31.43 C ATOM 40 CG PRO A 3 2.935 3.724 13.574 1.00 11.30 C ATOM 41 CD PRO A 3 2.224 2.457 13.977 1.00 63.11 C ATOM 0 HA PRO A 3 1.914 2.938 10.906 1.00 14.42 H new ATOM 0 HB2 PRO A 3 4.579 2.965 12.428 1.00 31.43 H new ATOM 0 HB3 PRO A 3 3.762 4.329 11.692 1.00 31.43 H new ATOM 0 HG2 PRO A 3 3.664 4.020 14.328 1.00 11.30 H new ATOM 0 HG3 PRO A 3 2.232 4.550 13.469 1.00 11.30 H new ATOM 0 HD2 PRO A 3 2.844 1.838 14.625 1.00 63.11 H new ATOM 0 HD3 PRO A 3 1.305 2.669 14.524 1.00 63.11 H new ATOM 49 N GLN A 4 3.885 0.380 11.125 1.00 21.50 N ATOM 50 CA GLN A 4 4.682 -0.551 10.305 1.00 72.55 C ATOM 51 C GLN A 4 4.126 -1.981 10.367 1.00 52.14 C ATOM 52 O GLN A 4 4.151 -2.623 11.422 1.00 41.31 O ATOM 53 CB GLN A 4 6.146 -0.553 10.772 1.00 21.00 C ATOM 54 CG GLN A 4 6.726 0.836 10.985 1.00 63.34 C ATOM 55 CD GLN A 4 8.177 0.795 11.422 1.00 45.33 C ATOM 56 OE1 GLN A 4 8.482 0.731 12.608 1.00 44.31 O ATOM 57 NE2 GLN A 4 9.083 0.826 10.470 1.00 25.23 N ATOM 0 H GLN A 4 3.724 0.069 12.083 1.00 21.50 H new ATOM 0 HA GLN A 4 4.625 -0.206 9.273 1.00 72.55 H new ATOM 0 HB2 GLN A 4 6.219 -1.114 11.704 1.00 21.00 H new ATOM 0 HB3 GLN A 4 6.752 -1.080 10.035 1.00 21.00 H new ATOM 0 HG2 GLN A 4 6.644 1.407 10.060 1.00 63.34 H new ATOM 0 HG3 GLN A 4 6.137 1.361 11.737 1.00 63.34 H new ATOM 0 HE21 GLN A 4 8.795 0.879 9.493 1.00 25.23 H new ATOM 0 HE22 GLN A 4 10.074 0.797 10.708 1.00 25.23 H new ATOM 66 N SER A 5 3.648 -2.485 9.232 1.00 53.32 N ATOM 67 CA SER A 5 3.123 -3.855 9.148 1.00 2.40 C ATOM 68 C SER A 5 3.942 -4.712 8.178 1.00 63.32 C ATOM 69 O SER A 5 4.257 -4.281 7.069 1.00 41.34 O ATOM 70 CB SER A 5 1.655 -3.848 8.698 1.00 20.24 C ATOM 71 OG SER A 5 1.146 -5.170 8.580 1.00 5.51 O ATOM 0 H SER A 5 3.611 -1.968 8.353 1.00 53.32 H new ATOM 0 HA SER A 5 3.197 -4.288 10.146 1.00 2.40 H new ATOM 0 HB2 SER A 5 1.055 -3.287 9.415 1.00 20.24 H new ATOM 0 HB3 SER A 5 1.568 -3.335 7.740 1.00 20.24 H new ATOM 0 HG SER A 5 0.175 -5.136 8.451 1.00 5.51 H new ATOM 77 N ASP A 6 4.280 -5.928 8.599 1.00 51.51 N ATOM 78 CA ASP A 6 4.974 -6.882 7.729 1.00 42.41 C ATOM 79 C ASP A 6 4.022 -7.416 6.639 1.00 71.43 C ATOM 80 O ASP A 6 2.794 -7.389 6.797 1.00 12.10 O ATOM 81 CB ASP A 6 5.536 -8.045 8.563 1.00 31.32 C ATOM 82 CG ASP A 6 6.340 -9.037 7.731 1.00 75.12 C ATOM 83 OD1 ASP A 6 5.726 -9.888 7.054 1.00 72.42 O ATOM 84 OD2 ASP A 6 7.585 -8.966 7.747 1.00 1.03 O ATOM 0 H ASP A 6 4.086 -6.279 9.537 1.00 51.51 H new ATOM 0 HA ASP A 6 5.801 -6.367 7.240 1.00 42.41 H new ATOM 0 HB2 ASP A 6 6.170 -7.645 9.355 1.00 31.32 H new ATOM 0 HB3 ASP A 6 4.712 -8.569 9.048 1.00 31.32 H new ATOM 89 N ALA A 7 4.601 -7.917 5.551 1.00 3.24 N ATOM 90 CA ALA A 7 3.834 -8.434 4.415 1.00 14.13 C ATOM 91 C ALA A 7 2.822 -9.524 4.824 1.00 71.24 C ATOM 92 O ALA A 7 1.639 -9.437 4.485 1.00 21.53 O ATOM 93 CB ALA A 7 4.790 -8.967 3.352 1.00 53.34 C ATOM 0 H ALA A 7 5.612 -7.977 5.429 1.00 3.24 H new ATOM 0 HA ALA A 7 3.252 -7.606 4.010 1.00 14.13 H new ATOM 0 HB1 ALA A 7 4.218 -9.351 2.508 1.00 53.34 H new ATOM 0 HB2 ALA A 7 5.442 -8.162 3.012 1.00 53.34 H new ATOM 0 HB3 ALA A 7 5.394 -9.769 3.776 1.00 53.34 H new ATOM 99 N HIS A 8 3.276 -10.547 5.559 1.00 2.33 N ATOM 100 CA HIS A 8 2.386 -11.665 5.932 1.00 35.22 C ATOM 101 C HIS A 8 1.377 -11.280 7.020 1.00 4.44 C ATOM 102 O HIS A 8 0.315 -11.889 7.119 1.00 62.32 O ATOM 103 CB HIS A 8 3.159 -12.946 6.306 1.00 10.12 C ATOM 104 CG HIS A 8 4.344 -12.751 7.195 1.00 35.32 C ATOM 105 ND1 HIS A 8 5.604 -13.160 6.836 1.00 1.31 N ATOM 106 CD2 HIS A 8 4.464 -12.211 8.430 1.00 3.25 C ATOM 107 CE1 HIS A 8 6.447 -12.889 7.800 1.00 53.33 C ATOM 108 NE2 HIS A 8 5.789 -12.307 8.786 1.00 11.23 N ATOM 0 H HIS A 8 4.233 -10.629 5.903 1.00 2.33 H new ATOM 0 HA HIS A 8 1.813 -11.893 5.033 1.00 35.22 H new ATOM 0 HB2 HIS A 8 2.470 -13.634 6.795 1.00 10.12 H new ATOM 0 HB3 HIS A 8 3.493 -13.428 5.387 1.00 10.12 H new ATOM 0 HD2 HIS A 8 3.669 -11.785 9.024 1.00 3.25 H new ATOM 0 HE1 HIS A 8 7.505 -13.105 7.791 1.00 53.33 H new ATOM 0 HE2 HIS A 8 6.195 -11.983 9.664 1.00 11.23 H new ATOM 117 N VAL A 9 1.702 -10.283 7.843 1.00 73.13 N ATOM 118 CA VAL A 9 0.721 -9.751 8.799 1.00 61.14 C ATOM 119 C VAL A 9 -0.530 -9.259 8.057 1.00 2.13 C ATOM 120 O VAL A 9 -1.656 -9.629 8.395 1.00 33.24 O ATOM 121 CB VAL A 9 1.298 -8.591 9.649 1.00 44.32 C ATOM 122 CG1 VAL A 9 0.221 -7.995 10.563 1.00 3.50 C ATOM 123 CG2 VAL A 9 2.501 -9.068 10.461 1.00 61.52 C ATOM 0 H VAL A 9 2.617 -9.833 7.871 1.00 73.13 H new ATOM 0 HA VAL A 9 0.461 -10.566 9.474 1.00 61.14 H new ATOM 0 HB VAL A 9 1.634 -7.805 8.972 1.00 44.32 H new ATOM 0 HG11 VAL A 9 0.650 -7.183 11.149 1.00 3.50 H new ATOM 0 HG12 VAL A 9 -0.599 -7.611 9.956 1.00 3.50 H new ATOM 0 HG13 VAL A 9 -0.155 -8.767 11.234 1.00 3.50 H new ATOM 0 HG21 VAL A 9 2.893 -8.240 11.052 1.00 61.52 H new ATOM 0 HG22 VAL A 9 2.194 -9.875 11.126 1.00 61.52 H new ATOM 0 HG23 VAL A 9 3.276 -9.430 9.785 1.00 61.52 H new ATOM 133 N LEU A 10 -0.318 -8.440 7.026 1.00 3.14 N ATOM 134 CA LEU A 10 -1.417 -7.951 6.188 1.00 44.14 C ATOM 135 C LEU A 10 -2.049 -9.098 5.380 1.00 73.22 C ATOM 136 O LEU A 10 -3.270 -9.191 5.271 1.00 13.54 O ATOM 137 CB LEU A 10 -0.915 -6.848 5.243 1.00 34.22 C ATOM 138 CG LEU A 10 -1.979 -6.248 4.306 1.00 14.02 C ATOM 139 CD1 LEU A 10 -3.122 -5.635 5.109 1.00 4.11 C ATOM 140 CD2 LEU A 10 -1.356 -5.212 3.370 1.00 42.34 C ATOM 0 H LEU A 10 0.604 -8.101 6.750 1.00 3.14 H new ATOM 0 HA LEU A 10 -2.183 -7.535 6.842 1.00 44.14 H new ATOM 0 HB2 LEU A 10 -0.489 -6.044 5.844 1.00 34.22 H new ATOM 0 HB3 LEU A 10 -0.107 -7.254 4.635 1.00 34.22 H new ATOM 0 HG LEU A 10 -2.387 -7.054 3.695 1.00 14.02 H new ATOM 0 HD11 LEU A 10 -3.862 -5.217 4.427 1.00 4.11 H new ATOM 0 HD12 LEU A 10 -3.589 -6.405 5.724 1.00 4.11 H new ATOM 0 HD13 LEU A 10 -2.733 -4.845 5.751 1.00 4.11 H new ATOM 0 HD21 LEU A 10 -2.126 -4.802 2.717 1.00 42.34 H new ATOM 0 HD22 LEU A 10 -0.914 -4.409 3.959 1.00 42.34 H new ATOM 0 HD23 LEU A 10 -0.583 -5.686 2.765 1.00 42.34 H new ATOM 152 N LYS A 11 -1.210 -9.972 4.824 1.00 61.05 N ATOM 153 CA LYS A 11 -1.684 -11.128 4.044 1.00 63.11 C ATOM 154 C LYS A 11 -2.628 -12.024 4.868 1.00 54.12 C ATOM 155 O LYS A 11 -3.686 -12.442 4.391 1.00 72.53 O ATOM 156 CB LYS A 11 -0.484 -11.952 3.552 1.00 35.42 C ATOM 157 CG LYS A 11 -0.867 -13.170 2.717 1.00 33.11 C ATOM 158 CD LYS A 11 0.331 -14.079 2.444 1.00 24.34 C ATOM 159 CE LYS A 11 -0.108 -15.442 1.923 1.00 72.03 C ATOM 160 NZ LYS A 11 1.020 -16.407 1.863 1.00 22.33 N ATOM 0 H LYS A 11 -0.195 -9.906 4.897 1.00 61.05 H new ATOM 0 HA LYS A 11 -2.245 -10.746 3.191 1.00 63.11 H new ATOM 0 HB2 LYS A 11 0.167 -11.309 2.960 1.00 35.42 H new ATOM 0 HB3 LYS A 11 0.094 -12.283 4.415 1.00 35.42 H new ATOM 0 HG2 LYS A 11 -1.640 -13.736 3.236 1.00 33.11 H new ATOM 0 HG3 LYS A 11 -1.295 -12.840 1.770 1.00 33.11 H new ATOM 0 HD2 LYS A 11 0.990 -13.605 1.716 1.00 24.34 H new ATOM 0 HD3 LYS A 11 0.908 -14.207 3.360 1.00 24.34 H new ATOM 0 HE2 LYS A 11 -0.892 -15.841 2.567 1.00 72.03 H new ATOM 0 HE3 LYS A 11 -0.540 -15.328 0.929 1.00 72.03 H new ATOM 0 HZ1 LYS A 11 0.936 -16.986 1.004 1.00 22.33 H new ATOM 0 HZ2 LYS A 11 1.921 -15.887 1.843 1.00 22.33 H new ATOM 0 HZ3 LYS A 11 0.994 -17.024 2.700 1.00 22.33 H new ATOM 174 N SER A 12 -2.246 -12.297 6.115 1.00 63.15 N ATOM 175 CA SER A 12 -3.049 -13.152 7.005 1.00 75.55 C ATOM 176 C SER A 12 -4.296 -12.402 7.468 1.00 1.23 C ATOM 177 O SER A 12 -5.384 -12.964 7.555 1.00 53.03 O ATOM 178 CB SER A 12 -2.234 -13.608 8.228 1.00 25.00 C ATOM 179 OG SER A 12 -1.102 -14.378 7.847 1.00 52.32 O ATOM 0 H SER A 12 -1.388 -11.942 6.536 1.00 63.15 H new ATOM 0 HA SER A 12 -3.344 -14.037 6.442 1.00 75.55 H new ATOM 0 HB2 SER A 12 -1.907 -12.735 8.794 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.869 -14.197 8.890 1.00 25.00 H new ATOM 0 HG SER A 12 -0.387 -13.780 7.543 1.00 52.32 H new ATOM 185 N ARG A 13 -4.122 -11.121 7.755 1.00 62.14 N ATOM 186 CA ARG A 13 -5.237 -10.241 8.097 1.00 51.21 C ATOM 187 C ARG A 13 -6.225 -10.099 6.914 1.00 11.22 C ATOM 188 O ARG A 13 -7.417 -9.870 7.112 1.00 74.03 O ATOM 189 CB ARG A 13 -4.687 -8.871 8.547 1.00 63.12 C ATOM 190 CG ARG A 13 -5.645 -7.710 8.335 1.00 1.12 C ATOM 191 CD ARG A 13 -5.138 -6.408 8.962 1.00 20.43 C ATOM 192 NE ARG A 13 -5.051 -6.498 10.423 1.00 0.15 N ATOM 193 CZ ARG A 13 -5.350 -5.524 11.249 1.00 32.33 C ATOM 194 NH1 ARG A 13 -5.809 -4.394 10.810 1.00 72.24 N ATOM 195 NH2 ARG A 13 -5.210 -5.702 12.523 1.00 62.35 N ATOM 0 H ARG A 13 -3.212 -10.661 7.759 1.00 62.14 H new ATOM 0 HA ARG A 13 -5.798 -10.681 8.921 1.00 51.21 H new ATOM 0 HB2 ARG A 13 -4.430 -8.926 9.605 1.00 63.12 H new ATOM 0 HB3 ARG A 13 -3.763 -8.668 8.005 1.00 63.12 H new ATOM 0 HG2 ARG A 13 -5.797 -7.559 7.266 1.00 1.12 H new ATOM 0 HG3 ARG A 13 -6.616 -7.961 8.763 1.00 1.12 H new ATOM 0 HD2 ARG A 13 -4.156 -6.168 8.555 1.00 20.43 H new ATOM 0 HD3 ARG A 13 -5.805 -5.590 8.688 1.00 20.43 H new ATOM 0 HE ARG A 13 -4.736 -7.381 10.825 1.00 0.15 H new ATOM 0 HH11 ARG A 13 -5.943 -4.252 9.809 1.00 72.24 H new ATOM 0 HH12 ARG A 13 -6.037 -3.647 11.466 1.00 72.24 H new ATOM 0 HH21 ARG A 13 -4.869 -6.595 12.879 1.00 62.35 H new ATOM 0 HH22 ARG A 13 -5.440 -4.949 13.171 1.00 62.35 H new ATOM 209 N LEU A 14 -5.722 -10.256 5.689 1.00 70.45 N ATOM 210 CA LEU A 14 -6.550 -10.186 4.485 1.00 24.23 C ATOM 211 C LEU A 14 -7.369 -11.475 4.286 1.00 70.32 C ATOM 212 O LEU A 14 -8.587 -11.428 4.110 1.00 14.05 O ATOM 213 CB LEU A 14 -5.652 -9.933 3.262 1.00 24.05 C ATOM 214 CG LEU A 14 -6.337 -10.083 1.898 1.00 42.41 C ATOM 215 CD1 LEU A 14 -7.454 -9.055 1.723 1.00 12.43 C ATOM 216 CD2 LEU A 14 -5.317 -9.978 0.768 1.00 61.10 C ATOM 0 H LEU A 14 -4.735 -10.434 5.504 1.00 70.45 H new ATOM 0 HA LEU A 14 -7.256 -9.363 4.601 1.00 24.23 H new ATOM 0 HB2 LEU A 14 -5.244 -8.925 3.335 1.00 24.05 H new ATOM 0 HB3 LEU A 14 -4.809 -10.622 3.303 1.00 24.05 H new ATOM 0 HG LEU A 14 -6.790 -11.073 1.858 1.00 42.41 H new ATOM 0 HD11 LEU A 14 -7.920 -9.187 0.747 1.00 12.43 H new ATOM 0 HD12 LEU A 14 -8.202 -9.194 2.504 1.00 12.43 H new ATOM 0 HD13 LEU A 14 -7.038 -8.050 1.794 1.00 12.43 H new ATOM 0 HD21 LEU A 14 -5.824 -10.087 -0.191 1.00 61.10 H new ATOM 0 HD22 LEU A 14 -4.826 -9.006 0.810 1.00 61.10 H new ATOM 0 HD23 LEU A 14 -4.572 -10.766 0.876 1.00 61.10 H new ATOM 228 N GLU A 15 -6.694 -12.622 4.309 1.00 15.24 N ATOM 229 CA GLU A 15 -7.352 -13.917 4.077 1.00 5.14 C ATOM 230 C GLU A 15 -8.025 -14.465 5.351 1.00 33.11 C ATOM 231 O GLU A 15 -9.204 -14.826 5.344 1.00 62.42 O ATOM 232 CB GLU A 15 -6.325 -14.936 3.557 1.00 61.15 C ATOM 233 CG GLU A 15 -5.618 -14.503 2.277 1.00 51.24 C ATOM 234 CD GLU A 15 -4.623 -15.541 1.783 1.00 24.24 C ATOM 235 OE1 GLU A 15 -3.449 -15.507 2.205 1.00 32.30 O ATOM 236 OE2 GLU A 15 -5.016 -16.408 0.975 1.00 13.30 O ATOM 0 H GLU A 15 -5.691 -12.687 4.485 1.00 15.24 H new ATOM 0 HA GLU A 15 -8.133 -13.758 3.334 1.00 5.14 H new ATOM 0 HB2 GLU A 15 -5.578 -15.112 4.331 1.00 61.15 H new ATOM 0 HB3 GLU A 15 -6.829 -15.886 3.379 1.00 61.15 H new ATOM 0 HG2 GLU A 15 -6.360 -14.317 1.501 1.00 51.24 H new ATOM 0 HG3 GLU A 15 -5.098 -13.561 2.453 1.00 51.24 H new ATOM 243 N TRP A 16 -7.266 -14.516 6.440 1.00 1.35 N ATOM 244 CA TRP A 16 -7.719 -15.135 7.695 1.00 62.44 C ATOM 245 C TRP A 16 -8.465 -14.145 8.608 1.00 11.44 C ATOM 246 O TRP A 16 -9.437 -14.509 9.274 1.00 74.13 O ATOM 247 CB TRP A 16 -6.510 -15.708 8.442 1.00 70.43 C ATOM 248 CG TRP A 16 -5.779 -16.767 7.672 1.00 35.20 C ATOM 249 CD1 TRP A 16 -4.922 -16.579 6.627 1.00 4.12 C ATOM 250 CD2 TRP A 16 -5.836 -18.181 7.894 1.00 50.34 C ATOM 251 NE1 TRP A 16 -4.454 -17.788 6.178 1.00 52.21 N ATOM 252 CE2 TRP A 16 -4.998 -18.787 6.942 1.00 31.10 C ATOM 253 CE3 TRP A 16 -6.517 -18.993 8.808 1.00 53.33 C ATOM 254 CZ2 TRP A 16 -4.824 -20.165 6.873 1.00 44.02 C ATOM 255 CZ3 TRP A 16 -6.342 -20.363 8.740 1.00 60.52 C ATOM 256 CH2 TRP A 16 -5.500 -20.936 7.778 1.00 20.32 C ATOM 0 H TRP A 16 -6.322 -14.133 6.485 1.00 1.35 H new ATOM 0 HA TRP A 16 -8.422 -15.927 7.434 1.00 62.44 H new ATOM 0 HB2 TRP A 16 -5.819 -14.898 8.675 1.00 70.43 H new ATOM 0 HB3 TRP A 16 -6.844 -16.126 9.392 1.00 70.43 H new ATOM 0 HD1 TRP A 16 -4.652 -15.619 6.214 1.00 4.12 H new ATOM 0 HE1 TRP A 16 -3.806 -17.922 5.401 1.00 52.21 H new ATOM 0 HE3 TRP A 16 -7.167 -18.558 9.553 1.00 53.33 H new ATOM 0 HZ2 TRP A 16 -4.178 -20.611 6.131 1.00 44.02 H new ATOM 0 HZ3 TRP A 16 -6.862 -21.001 9.439 1.00 60.52 H new ATOM 0 HH2 TRP A 16 -5.382 -22.009 7.750 1.00 20.32 H new ATOM 267 N GLY A 17 -8.001 -12.901 8.646 1.00 24.12 N ATOM 268 CA GLY A 17 -8.590 -11.904 9.537 1.00 71.24 C ATOM 269 C GLY A 17 -9.673 -11.059 8.873 1.00 12.44 C ATOM 270 O GLY A 17 -10.221 -11.430 7.829 1.00 23.24 O ATOM 0 H GLY A 17 -7.226 -12.559 8.077 1.00 24.12 H new ATOM 0 HA2 GLY A 17 -9.015 -12.409 10.404 1.00 71.24 H new ATOM 0 HA3 GLY A 17 -7.802 -11.247 9.905 1.00 71.24 H new ATOM 274 N GLU A 18 -9.994 -9.929 9.496 1.00 30.52 N ATOM 275 CA GLU A 18 -10.976 -8.982 8.957 1.00 11.42 C ATOM 276 C GLU A 18 -10.293 -7.915 8.098 1.00 0.13 C ATOM 277 O GLU A 18 -9.249 -7.382 8.477 1.00 42.31 O ATOM 278 CB GLU A 18 -11.752 -8.300 10.097 1.00 21.10 C ATOM 279 CG GLU A 18 -12.871 -9.148 10.687 1.00 61.24 C ATOM 280 CD GLU A 18 -12.392 -10.485 11.232 1.00 71.21 C ATOM 281 OE1 GLU A 18 -11.597 -10.493 12.198 1.00 45.12 O ATOM 282 OE2 GLU A 18 -12.817 -11.536 10.708 1.00 54.03 O ATOM 0 H GLU A 18 -9.585 -9.641 10.385 1.00 30.52 H new ATOM 0 HA GLU A 18 -11.671 -9.545 8.334 1.00 11.42 H new ATOM 0 HB2 GLU A 18 -11.053 -8.038 10.891 1.00 21.10 H new ATOM 0 HB3 GLU A 18 -12.176 -7.367 9.725 1.00 21.10 H new ATOM 0 HG2 GLU A 18 -13.356 -8.590 11.488 1.00 61.24 H new ATOM 0 HG3 GLU A 18 -13.625 -9.326 9.920 1.00 61.24 H new ATOM 289 N PRO A 19 -10.873 -7.587 6.927 1.00 4.22 N ATOM 290 CA PRO A 19 -10.333 -6.540 6.053 1.00 55.23 C ATOM 291 C PRO A 19 -10.385 -5.142 6.705 1.00 41.25 C ATOM 292 O PRO A 19 -9.439 -4.729 7.378 1.00 14.53 O ATOM 293 CB PRO A 19 -11.223 -6.610 4.793 1.00 62.31 C ATOM 294 CG PRO A 19 -11.924 -7.930 4.881 1.00 31.25 C ATOM 295 CD PRO A 19 -12.072 -8.219 6.349 1.00 55.40 C ATOM 0 HA PRO A 19 -9.277 -6.698 5.835 1.00 55.23 H new ATOM 0 HB2 PRO A 19 -11.936 -5.786 4.768 1.00 62.31 H new ATOM 0 HB3 PRO A 19 -10.625 -6.541 3.884 1.00 62.31 H new ATOM 0 HG2 PRO A 19 -12.897 -7.890 4.391 1.00 31.25 H new ATOM 0 HG3 PRO A 19 -11.349 -8.712 4.385 1.00 31.25 H new ATOM 0 HD2 PRO A 19 -12.990 -7.793 6.755 1.00 55.40 H new ATOM 0 HD3 PRO A 19 -12.102 -9.290 6.550 1.00 55.40 H new ATOM 303 N ALA A 20 -11.500 -4.429 6.526 1.00 32.42 N ATOM 304 CA ALA A 20 -11.655 -3.056 7.047 1.00 32.20 C ATOM 305 C ALA A 20 -10.452 -2.145 6.703 1.00 12.45 C ATOM 306 O ALA A 20 -10.229 -1.127 7.360 1.00 4.41 O ATOM 307 CB ALA A 20 -11.879 -3.094 8.559 1.00 71.01 C ATOM 0 H ALA A 20 -12.316 -4.777 6.022 1.00 32.42 H new ATOM 0 HA ALA A 20 -12.527 -2.622 6.557 1.00 32.20 H new ATOM 0 HB1 ALA A 20 -11.992 -2.077 8.936 1.00 71.01 H new ATOM 0 HB2 ALA A 20 -12.781 -3.665 8.779 1.00 71.01 H new ATOM 0 HB3 ALA A 20 -11.024 -3.566 9.042 1.00 71.01 H new ATOM 313 N PHE A 21 -9.695 -2.502 5.661 1.00 35.41 N ATOM 314 CA PHE A 21 -8.501 -1.735 5.276 1.00 21.44 C ATOM 315 C PHE A 21 -8.471 -1.429 3.772 1.00 20.53 C ATOM 316 O PHE A 21 -9.129 -2.094 2.972 1.00 42.14 O ATOM 317 CB PHE A 21 -7.205 -2.463 5.693 1.00 31.14 C ATOM 318 CG PHE A 21 -6.978 -3.819 5.049 1.00 14.34 C ATOM 319 CD1 PHE A 21 -6.686 -3.933 3.694 1.00 13.42 C ATOM 320 CD2 PHE A 21 -7.042 -4.981 5.808 1.00 24.43 C ATOM 321 CE1 PHE A 21 -6.471 -5.169 3.116 1.00 2.30 C ATOM 322 CE2 PHE A 21 -6.825 -6.218 5.232 1.00 15.44 C ATOM 323 CZ PHE A 21 -6.541 -6.312 3.886 1.00 14.42 C ATOM 0 H PHE A 21 -9.884 -3.312 5.071 1.00 35.41 H new ATOM 0 HA PHE A 21 -8.557 -0.787 5.811 1.00 21.44 H new ATOM 0 HB2 PHE A 21 -6.357 -1.821 5.455 1.00 31.14 H new ATOM 0 HB3 PHE A 21 -7.214 -2.592 6.775 1.00 31.14 H new ATOM 0 HD1 PHE A 21 -6.627 -3.043 3.085 1.00 13.42 H new ATOM 0 HD2 PHE A 21 -7.264 -4.916 6.863 1.00 24.43 H new ATOM 0 HE1 PHE A 21 -6.248 -5.241 2.062 1.00 2.30 H new ATOM 0 HE2 PHE A 21 -6.878 -7.112 5.836 1.00 15.44 H new ATOM 0 HZ PHE A 21 -6.374 -7.279 3.435 1.00 14.42 H new ATOM 333 N THR A 22 -7.700 -0.410 3.403 1.00 10.41 N ATOM 334 CA THR A 22 -7.514 -0.025 2.000 1.00 23.01 C ATOM 335 C THR A 22 -6.024 -0.042 1.622 1.00 51.22 C ATOM 336 O THR A 22 -5.216 0.670 2.220 1.00 20.05 O ATOM 337 CB THR A 22 -8.100 1.384 1.722 1.00 62.00 C ATOM 338 OG1 THR A 22 -9.513 1.396 1.993 1.00 75.11 O ATOM 339 CG2 THR A 22 -7.858 1.810 0.277 1.00 20.04 C ATOM 0 H THR A 22 -7.186 0.173 4.063 1.00 10.41 H new ATOM 0 HA THR A 22 -8.047 -0.754 1.390 1.00 23.01 H new ATOM 0 HB THR A 22 -7.593 2.090 2.381 1.00 62.00 H new ATOM 0 HG1 THR A 22 -9.872 2.290 1.816 1.00 75.11 H new ATOM 0 HG21 THR A 22 -8.281 2.802 0.114 1.00 20.04 H new ATOM 0 HG22 THR A 22 -6.786 1.835 0.080 1.00 20.04 H new ATOM 0 HG23 THR A 22 -8.334 1.098 -0.397 1.00 20.04 H new ATOM 347 N ILE A 23 -5.661 -0.869 0.641 1.00 64.10 N ATOM 348 CA ILE A 23 -4.265 -0.973 0.185 1.00 25.34 C ATOM 349 C ILE A 23 -3.991 -0.020 -0.994 1.00 62.14 C ATOM 350 O ILE A 23 -4.660 -0.090 -2.027 1.00 3.44 O ATOM 351 CB ILE A 23 -3.914 -2.425 -0.241 1.00 65.12 C ATOM 352 CG1 ILE A 23 -4.210 -3.410 0.903 1.00 51.51 C ATOM 353 CG2 ILE A 23 -2.445 -2.524 -0.662 1.00 12.44 C ATOM 354 CD1 ILE A 23 -3.921 -4.859 0.558 1.00 21.14 C ATOM 0 H ILE A 23 -6.310 -1.478 0.144 1.00 64.10 H new ATOM 0 HA ILE A 23 -3.636 -0.689 1.029 1.00 25.34 H new ATOM 0 HB ILE A 23 -4.536 -2.689 -1.096 1.00 65.12 H new ATOM 0 HG12 ILE A 23 -3.617 -3.129 1.774 1.00 51.51 H new ATOM 0 HG13 ILE A 23 -5.258 -3.317 1.187 1.00 51.51 H new ATOM 0 HG21 ILE A 23 -2.219 -3.549 -0.957 1.00 12.44 H new ATOM 0 HG22 ILE A 23 -2.262 -1.856 -1.503 1.00 12.44 H new ATOM 0 HG23 ILE A 23 -1.807 -2.238 0.174 1.00 12.44 H new ATOM 0 HD11 ILE A 23 -4.155 -5.491 1.415 1.00 21.14 H new ATOM 0 HD12 ILE A 23 -4.533 -5.160 -0.292 1.00 21.14 H new ATOM 0 HD13 ILE A 23 -2.867 -4.969 0.303 1.00 21.14 H new ATOM 366 N LEU A 24 -3.002 0.864 -0.838 1.00 1.12 N ATOM 367 CA LEU A 24 -2.668 1.846 -1.881 1.00 24.31 C ATOM 368 C LEU A 24 -1.354 1.494 -2.595 1.00 54.33 C ATOM 369 O LEU A 24 -0.331 1.235 -1.952 1.00 2.10 O ATOM 370 CB LEU A 24 -2.563 3.253 -1.279 1.00 0.41 C ATOM 371 CG LEU A 24 -3.801 3.740 -0.507 1.00 5.24 C ATOM 372 CD1 LEU A 24 -3.606 5.175 -0.024 1.00 24.14 C ATOM 373 CD2 LEU A 24 -5.053 3.626 -1.371 1.00 64.34 C ATOM 0 H LEU A 24 -2.418 0.922 -0.003 1.00 1.12 H new ATOM 0 HA LEU A 24 -3.472 1.822 -2.616 1.00 24.31 H new ATOM 0 HB2 LEU A 24 -1.705 3.278 -0.607 1.00 0.41 H new ATOM 0 HB3 LEU A 24 -2.358 3.959 -2.084 1.00 0.41 H new ATOM 0 HG LEU A 24 -3.931 3.102 0.367 1.00 5.24 H new ATOM 0 HD11 LEU A 24 -4.493 5.500 0.520 1.00 24.14 H new ATOM 0 HD12 LEU A 24 -2.739 5.222 0.635 1.00 24.14 H new ATOM 0 HD13 LEU A 24 -3.446 5.829 -0.881 1.00 24.14 H new ATOM 0 HD21 LEU A 24 -5.918 3.975 -0.807 1.00 64.34 H new ATOM 0 HD22 LEU A 24 -4.934 4.236 -2.267 1.00 64.34 H new ATOM 0 HD23 LEU A 24 -5.204 2.585 -1.658 1.00 64.34 H new ATOM 385 N ASP A 25 -1.394 1.493 -3.925 1.00 61.00 N ATOM 386 CA ASP A 25 -0.209 1.225 -4.743 1.00 4.21 C ATOM 387 C ASP A 25 0.550 2.529 -5.032 1.00 73.43 C ATOM 388 O ASP A 25 0.126 3.322 -5.873 1.00 60.31 O ATOM 389 CB ASP A 25 -0.640 0.574 -6.060 1.00 2.41 C ATOM 390 CG ASP A 25 0.505 -0.094 -6.798 1.00 20.24 C ATOM 391 OD1 ASP A 25 1.593 0.507 -6.921 1.00 5.55 O ATOM 392 OD2 ASP A 25 0.320 -1.240 -7.247 1.00 73.32 O ATOM 0 H ASP A 25 -2.240 1.676 -4.465 1.00 61.00 H new ATOM 0 HA ASP A 25 0.453 0.551 -4.199 1.00 4.21 H new ATOM 0 HB2 ASP A 25 -1.414 -0.166 -5.856 1.00 2.41 H new ATOM 0 HB3 ASP A 25 -1.086 1.332 -6.704 1.00 2.41 H new ATOM 397 N VAL A 26 1.673 2.742 -4.348 1.00 50.14 N ATOM 398 CA VAL A 26 2.427 3.993 -4.483 1.00 11.34 C ATOM 399 C VAL A 26 3.663 3.823 -5.378 1.00 20.44 C ATOM 400 O VAL A 26 4.450 4.756 -5.548 1.00 1.01 O ATOM 401 CB VAL A 26 2.844 4.535 -3.092 1.00 51.12 C ATOM 402 CG1 VAL A 26 1.603 4.820 -2.250 1.00 3.04 C ATOM 403 CG2 VAL A 26 3.781 3.559 -2.381 1.00 40.40 C ATOM 0 H VAL A 26 2.081 2.071 -3.698 1.00 50.14 H new ATOM 0 HA VAL A 26 1.767 4.716 -4.962 1.00 11.34 H new ATOM 0 HB VAL A 26 3.390 5.468 -3.231 1.00 51.12 H new ATOM 0 HG11 VAL A 26 1.905 5.200 -1.274 1.00 3.04 H new ATOM 0 HG12 VAL A 26 0.984 5.563 -2.754 1.00 3.04 H new ATOM 0 HG13 VAL A 26 1.032 3.900 -2.120 1.00 3.04 H new ATOM 0 HG21 VAL A 26 4.058 3.964 -1.408 1.00 40.40 H new ATOM 0 HG22 VAL A 26 3.276 2.603 -2.246 1.00 40.40 H new ATOM 0 HG23 VAL A 26 4.679 3.413 -2.982 1.00 40.40 H new ATOM 413 N ARG A 27 3.807 2.636 -5.970 1.00 45.44 N ATOM 414 CA ARG A 27 4.945 2.332 -6.847 1.00 53.12 C ATOM 415 C ARG A 27 4.919 3.211 -8.103 1.00 72.11 C ATOM 416 O ARG A 27 5.761 4.097 -8.281 1.00 54.01 O ATOM 417 CB ARG A 27 4.914 0.857 -7.265 1.00 50.41 C ATOM 418 CG ARG A 27 4.978 -0.122 -6.102 1.00 34.43 C ATOM 419 CD ARG A 27 4.745 -1.553 -6.567 1.00 23.25 C ATOM 420 NE ARG A 27 3.447 -1.707 -7.201 1.00 24.24 N ATOM 421 CZ ARG A 27 3.186 -2.610 -8.092 1.00 44.05 C ATOM 422 NH1 ARG A 27 4.094 -3.461 -8.453 1.00 41.42 N ATOM 423 NH2 ARG A 27 2.024 -2.662 -8.633 1.00 14.35 N ATOM 0 H ARG A 27 3.148 1.865 -5.859 1.00 45.44 H new ATOM 0 HA ARG A 27 5.859 2.536 -6.290 1.00 53.12 H new ATOM 0 HB2 ARG A 27 4.002 0.671 -7.832 1.00 50.41 H new ATOM 0 HB3 ARG A 27 5.752 0.663 -7.935 1.00 50.41 H new ATOM 0 HG2 ARG A 27 5.951 -0.049 -5.617 1.00 34.43 H new ATOM 0 HG3 ARG A 27 4.229 0.147 -5.357 1.00 34.43 H new ATOM 0 HD2 ARG A 27 5.529 -1.840 -7.268 1.00 23.25 H new ATOM 0 HD3 ARG A 27 4.816 -2.229 -5.715 1.00 23.25 H new ATOM 0 HE ARG A 27 2.700 -1.068 -6.929 1.00 24.24 H new ATOM 0 HH11 ARG A 27 5.023 -3.423 -8.035 1.00 41.42 H new ATOM 0 HH12 ARG A 27 3.879 -4.169 -9.155 1.00 41.42 H new ATOM 0 HH21 ARG A 27 1.305 -1.992 -8.362 1.00 14.35 H new ATOM 0 HH22 ARG A 27 1.819 -3.374 -9.335 1.00 14.35 H new ATOM 437 N ASP A 28 3.939 2.951 -8.962 1.00 25.42 N ATOM 438 CA ASP A 28 3.748 3.713 -10.195 1.00 14.23 C ATOM 439 C ASP A 28 2.423 3.320 -10.856 1.00 75.55 C ATOM 440 O ASP A 28 1.924 2.212 -10.663 1.00 54.44 O ATOM 441 CB ASP A 28 4.905 3.468 -11.179 1.00 72.10 C ATOM 442 CG ASP A 28 4.902 4.449 -12.334 1.00 14.14 C ATOM 443 OD1 ASP A 28 4.255 4.170 -13.356 1.00 64.35 O ATOM 444 OD2 ASP A 28 5.534 5.514 -12.220 1.00 15.12 O ATOM 0 H ASP A 28 3.254 2.207 -8.825 1.00 25.42 H new ATOM 0 HA ASP A 28 3.728 4.772 -9.938 1.00 14.23 H new ATOM 0 HB2 ASP A 28 5.853 3.542 -10.646 1.00 72.10 H new ATOM 0 HB3 ASP A 28 4.837 2.452 -11.569 1.00 72.10 H new ATOM 449 N ARG A 29 1.865 4.228 -11.637 1.00 71.20 N ATOM 450 CA ARG A 29 0.641 3.955 -12.394 1.00 74.15 C ATOM 451 C ARG A 29 0.838 2.744 -13.343 1.00 13.42 C ATOM 452 O ARG A 29 0.023 1.805 -13.378 1.00 51.45 O ATOM 453 CB ARG A 29 0.261 5.227 -13.168 1.00 1.31 C ATOM 454 CG ARG A 29 -1.014 5.125 -13.993 1.00 50.24 C ATOM 455 CD ARG A 29 -2.213 4.674 -13.161 1.00 62.32 C ATOM 456 NE ARG A 29 -3.494 4.952 -13.821 1.00 14.14 N ATOM 457 CZ ARG A 29 -3.955 4.324 -14.875 1.00 34.45 C ATOM 458 NH1 ARG A 29 -3.230 3.467 -15.525 1.00 45.04 N ATOM 459 NH2 ARG A 29 -5.138 4.604 -15.315 1.00 31.11 N ATOM 0 H ARG A 29 2.238 5.168 -11.769 1.00 71.20 H new ATOM 0 HA ARG A 29 -0.170 3.690 -11.715 1.00 74.15 H new ATOM 0 HB2 ARG A 29 0.151 6.046 -12.458 1.00 1.31 H new ATOM 0 HB3 ARG A 29 1.085 5.489 -13.832 1.00 1.31 H new ATOM 0 HG2 ARG A 29 -1.231 6.094 -14.442 1.00 50.24 H new ATOM 0 HG3 ARG A 29 -0.858 4.422 -14.811 1.00 50.24 H new ATOM 0 HD2 ARG A 29 -2.134 3.605 -12.966 1.00 62.32 H new ATOM 0 HD3 ARG A 29 -2.190 5.177 -12.194 1.00 62.32 H new ATOM 0 HE ARG A 29 -4.073 5.694 -13.427 1.00 14.14 H new ATOM 0 HH11 ARG A 29 -2.278 3.269 -15.219 1.00 45.04 H new ATOM 0 HH12 ARG A 29 -3.612 2.992 -16.342 1.00 45.04 H new ATOM 0 HH21 ARG A 29 -5.704 5.309 -14.843 1.00 31.11 H new ATOM 0 HH22 ARG A 29 -5.505 4.120 -16.135 1.00 31.11 H new ATOM 473 N SER A 30 1.951 2.755 -14.073 1.00 75.24 N ATOM 474 CA SER A 30 2.306 1.666 -14.990 1.00 52.00 C ATOM 475 C SER A 30 2.616 0.384 -14.212 1.00 63.03 C ATOM 476 O SER A 30 2.117 -0.689 -14.543 1.00 51.44 O ATOM 477 CB SER A 30 3.528 2.053 -15.836 1.00 51.43 C ATOM 478 OG SER A 30 4.717 2.064 -15.060 1.00 24.35 O ATOM 0 H SER A 30 2.632 3.514 -14.048 1.00 75.24 H new ATOM 0 HA SER A 30 1.454 1.489 -15.646 1.00 52.00 H new ATOM 0 HB2 SER A 30 3.638 1.350 -16.661 1.00 51.43 H new ATOM 0 HB3 SER A 30 3.370 3.038 -16.275 1.00 51.43 H new ATOM 0 HG SER A 30 4.707 2.837 -14.457 1.00 24.35 H new ATOM 484 N THR A 31 3.441 0.512 -13.169 1.00 64.12 N ATOM 485 CA THR A 31 3.809 -0.626 -12.312 1.00 62.32 C ATOM 486 C THR A 31 2.572 -1.250 -11.640 1.00 34.43 C ATOM 487 O THR A 31 2.525 -2.458 -11.396 1.00 54.30 O ATOM 488 CB THR A 31 4.831 -0.207 -11.225 1.00 42.34 C ATOM 489 OG1 THR A 31 5.947 0.462 -11.835 1.00 21.32 O ATOM 490 CG2 THR A 31 5.343 -1.413 -10.445 1.00 55.12 C ATOM 0 H THR A 31 3.870 1.396 -12.894 1.00 64.12 H new ATOM 0 HA THR A 31 4.269 -1.372 -12.960 1.00 62.32 H new ATOM 0 HB THR A 31 4.321 0.464 -10.533 1.00 42.34 H new ATOM 0 HG1 THR A 31 6.588 0.726 -11.143 1.00 21.32 H new ATOM 0 HG21 THR A 31 6.058 -1.082 -9.691 1.00 55.12 H new ATOM 0 HG22 THR A 31 4.506 -1.913 -9.957 1.00 55.12 H new ATOM 0 HG23 THR A 31 5.832 -2.107 -11.128 1.00 55.12 H new ATOM 498 N TYR A 32 1.571 -0.417 -11.344 1.00 50.14 N ATOM 499 CA TYR A 32 0.277 -0.898 -10.844 1.00 2.11 C ATOM 500 C TYR A 32 -0.336 -1.892 -11.834 1.00 45.31 C ATOM 501 O TYR A 32 -0.747 -2.994 -11.459 1.00 32.11 O ATOM 502 CB TYR A 32 -0.685 0.279 -10.611 1.00 33.43 C ATOM 503 CG TYR A 32 -2.114 -0.138 -10.283 1.00 35.12 C ATOM 504 CD1 TYR A 32 -2.478 -0.493 -8.988 1.00 14.32 C ATOM 505 CD2 TYR A 32 -3.096 -0.176 -11.270 1.00 0.22 C ATOM 506 CE1 TYR A 32 -3.774 -0.869 -8.686 1.00 33.51 C ATOM 507 CE2 TYR A 32 -4.394 -0.552 -10.974 1.00 41.21 C ATOM 508 CZ TYR A 32 -4.727 -0.899 -9.682 1.00 1.43 C ATOM 509 OH TYR A 32 -6.020 -1.273 -9.381 1.00 73.32 O ATOM 0 H TYR A 32 1.631 0.597 -11.442 1.00 50.14 H new ATOM 0 HA TYR A 32 0.442 -1.403 -9.892 1.00 2.11 H new ATOM 0 HB2 TYR A 32 -0.301 0.892 -9.795 1.00 33.43 H new ATOM 0 HB3 TYR A 32 -0.697 0.906 -11.503 1.00 33.43 H new ATOM 0 HD1 TYR A 32 -1.735 -0.475 -8.204 1.00 14.32 H new ATOM 0 HD2 TYR A 32 -2.840 0.093 -12.284 1.00 0.22 H new ATOM 0 HE1 TYR A 32 -4.039 -1.138 -7.674 1.00 33.51 H new ATOM 0 HE2 TYR A 32 -5.143 -0.574 -11.752 1.00 41.21 H new ATOM 0 HH TYR A 32 -6.061 -1.593 -8.456 1.00 73.32 H new ATOM 519 N ASN A 33 -0.394 -1.497 -13.105 1.00 43.30 N ATOM 520 CA ASN A 33 -0.866 -2.400 -14.162 1.00 24.22 C ATOM 521 C ASN A 33 0.073 -3.612 -14.326 1.00 1.13 C ATOM 522 O ASN A 33 -0.384 -4.745 -14.476 1.00 61.23 O ATOM 523 CB ASN A 33 -1.000 -1.649 -15.491 1.00 31.31 C ATOM 524 CG ASN A 33 -2.095 -0.598 -15.443 1.00 23.40 C ATOM 525 OD1 ASN A 33 -3.256 -0.882 -15.710 1.00 72.42 O ATOM 526 ND2 ASN A 33 -1.742 0.627 -15.116 1.00 32.40 N ATOM 0 H ASN A 33 -0.124 -0.568 -13.429 1.00 43.30 H new ATOM 0 HA ASN A 33 -1.847 -2.771 -13.867 1.00 24.22 H new ATOM 0 HB2 ASN A 33 -0.051 -1.172 -15.735 1.00 31.31 H new ATOM 0 HB3 ASN A 33 -1.215 -2.360 -16.289 1.00 31.31 H new ATOM 0 HD21 ASN A 33 -2.443 1.367 -15.080 1.00 32.40 H new ATOM 0 HD22 ASN A 33 -0.768 0.836 -14.898 1.00 32.40 H new ATOM 533 N ASP A 34 1.381 -3.358 -14.280 1.00 71.43 N ATOM 534 CA ASP A 34 2.405 -4.398 -14.421 1.00 63.02 C ATOM 535 C ASP A 34 2.180 -5.555 -13.420 1.00 14.43 C ATOM 536 O ASP A 34 2.140 -6.723 -13.811 1.00 42.24 O ATOM 537 CB ASP A 34 3.780 -3.742 -14.205 1.00 41.31 C ATOM 538 CG ASP A 34 4.956 -4.641 -14.544 1.00 1.14 C ATOM 539 OD1 ASP A 34 5.405 -5.401 -13.662 1.00 13.32 O ATOM 540 OD2 ASP A 34 5.467 -4.555 -15.683 1.00 14.44 O ATOM 0 H ASP A 34 1.763 -2.422 -14.143 1.00 71.43 H new ATOM 0 HA ASP A 34 2.349 -4.835 -15.418 1.00 63.02 H new ATOM 0 HB2 ASP A 34 3.839 -2.839 -14.813 1.00 41.31 H new ATOM 0 HB3 ASP A 34 3.863 -3.431 -13.164 1.00 41.31 H new ATOM 545 N GLY A 35 1.971 -5.225 -12.142 1.00 32.31 N ATOM 546 CA GLY A 35 1.626 -6.249 -11.156 1.00 51.32 C ATOM 547 C GLY A 35 1.431 -5.684 -9.755 1.00 44.42 C ATOM 548 O GLY A 35 2.361 -5.143 -9.179 1.00 71.54 O ATOM 0 H GLY A 35 2.033 -4.276 -11.773 1.00 32.31 H new ATOM 0 HA2 GLY A 35 0.712 -6.754 -11.469 1.00 51.32 H new ATOM 0 HA3 GLY A 35 2.413 -7.002 -11.132 1.00 51.32 H new ATOM 552 N HIS A 36 0.226 -5.820 -9.202 1.00 55.41 N ATOM 553 CA HIS A 36 -0.122 -5.216 -7.902 1.00 41.12 C ATOM 554 C HIS A 36 -0.738 -6.243 -6.941 1.00 50.41 C ATOM 555 O HIS A 36 -1.059 -7.358 -7.338 1.00 64.33 O ATOM 556 CB HIS A 36 -1.107 -4.056 -8.120 1.00 41.21 C ATOM 557 CG HIS A 36 -2.369 -4.455 -8.835 1.00 14.53 C ATOM 558 ND1 HIS A 36 -2.440 -4.600 -10.203 1.00 34.10 N ATOM 559 CD2 HIS A 36 -3.613 -4.740 -8.371 1.00 71.13 C ATOM 560 CE1 HIS A 36 -3.659 -4.953 -10.551 1.00 52.04 C ATOM 561 NE2 HIS A 36 -4.392 -5.046 -9.462 1.00 34.21 N ATOM 0 H HIS A 36 -0.535 -6.346 -9.632 1.00 55.41 H new ATOM 0 HA HIS A 36 0.798 -4.847 -7.449 1.00 41.12 H new ATOM 0 HB2 HIS A 36 -1.369 -3.628 -7.152 1.00 41.21 H new ATOM 0 HB3 HIS A 36 -0.610 -3.272 -8.691 1.00 41.21 H new ATOM 0 HD1 HIS A 36 -1.664 -4.455 -10.849 1.00 34.10 H new ATOM 0 HD2 HIS A 36 -3.931 -4.728 -7.339 1.00 71.13 H new ATOM 0 HE1 HIS A 36 -4.000 -5.135 -11.559 1.00 52.04 H new ATOM 570 N ILE A 37 -0.913 -5.858 -5.678 1.00 4.50 N ATOM 571 CA ILE A 37 -1.589 -6.717 -4.696 1.00 50.34 C ATOM 572 C ILE A 37 -3.071 -6.905 -5.061 1.00 61.01 C ATOM 573 O ILE A 37 -3.722 -5.977 -5.550 1.00 52.53 O ATOM 574 CB ILE A 37 -1.478 -6.140 -3.254 1.00 74.25 C ATOM 575 CG1 ILE A 37 -0.013 -6.151 -2.784 1.00 32.43 C ATOM 576 CG2 ILE A 37 -2.364 -6.918 -2.277 1.00 2.23 C ATOM 577 CD1 ILE A 37 0.191 -5.594 -1.390 1.00 32.22 C ATOM 0 H ILE A 37 -0.599 -4.961 -5.308 1.00 4.50 H new ATOM 0 HA ILE A 37 -1.087 -7.684 -4.720 1.00 50.34 H new ATOM 0 HB ILE A 37 -1.830 -5.109 -3.274 1.00 74.25 H new ATOM 0 HG12 ILE A 37 0.359 -7.175 -2.813 1.00 32.43 H new ATOM 0 HG13 ILE A 37 0.588 -5.573 -3.487 1.00 32.43 H new ATOM 0 HG21 ILE A 37 -2.266 -6.492 -1.278 1.00 2.23 H new ATOM 0 HG22 ILE A 37 -3.404 -6.853 -2.598 1.00 2.23 H new ATOM 0 HG23 ILE A 37 -2.054 -7.963 -2.258 1.00 2.23 H new ATOM 0 HD11 ILE A 37 1.249 -5.636 -1.132 1.00 32.22 H new ATOM 0 HD12 ILE A 37 -0.149 -4.559 -1.358 1.00 32.22 H new ATOM 0 HD13 ILE A 37 -0.380 -6.185 -0.675 1.00 32.22 H new ATOM 589 N MET A 38 -3.599 -8.107 -4.835 1.00 41.15 N ATOM 590 CA MET A 38 -5.002 -8.403 -5.141 1.00 21.14 C ATOM 591 C MET A 38 -5.950 -7.525 -4.307 1.00 44.04 C ATOM 592 O MET A 38 -6.036 -7.670 -3.088 1.00 34.11 O ATOM 593 CB MET A 38 -5.293 -9.892 -4.901 1.00 21.21 C ATOM 594 CG MET A 38 -6.724 -10.301 -5.223 1.00 63.35 C ATOM 595 SD MET A 38 -6.984 -12.082 -5.093 1.00 61.12 S ATOM 596 CE MET A 38 -5.894 -12.686 -6.384 1.00 54.24 C ATOM 0 H MET A 38 -3.079 -8.892 -4.442 1.00 41.15 H new ATOM 0 HA MET A 38 -5.177 -8.175 -6.192 1.00 21.14 H new ATOM 0 HB2 MET A 38 -4.610 -10.488 -5.507 1.00 21.21 H new ATOM 0 HB3 MET A 38 -5.084 -10.129 -3.858 1.00 21.21 H new ATOM 0 HG2 MET A 38 -7.406 -9.788 -4.545 1.00 63.35 H new ATOM 0 HG3 MET A 38 -6.973 -9.974 -6.233 1.00 63.35 H new ATOM 0 HE1 MET A 38 -6.182 -13.701 -6.658 1.00 54.24 H new ATOM 0 HE2 MET A 38 -5.971 -12.039 -7.258 1.00 54.24 H new ATOM 0 HE3 MET A 38 -4.866 -12.686 -6.022 1.00 54.24 H new ATOM 606 N GLY A 39 -6.651 -6.609 -4.976 1.00 4.25 N ATOM 607 CA GLY A 39 -7.554 -5.689 -4.283 1.00 24.23 C ATOM 608 C GLY A 39 -6.998 -4.270 -4.148 1.00 2.41 C ATOM 609 O GLY A 39 -7.748 -3.328 -3.886 1.00 72.22 O ATOM 0 H GLY A 39 -6.612 -6.484 -5.988 1.00 4.25 H new ATOM 0 HA2 GLY A 39 -8.501 -5.649 -4.821 1.00 24.23 H new ATOM 0 HA3 GLY A 39 -7.768 -6.083 -3.289 1.00 24.23 H new ATOM 613 N ALA A 40 -5.687 -4.111 -4.341 1.00 75.31 N ATOM 614 CA ALA A 40 -5.031 -2.799 -4.207 1.00 13.14 C ATOM 615 C ALA A 40 -5.547 -1.780 -5.239 1.00 3.04 C ATOM 616 O ALA A 40 -5.879 -2.139 -6.369 1.00 1.01 O ATOM 617 CB ALA A 40 -3.521 -2.957 -4.335 1.00 2.23 C ATOM 0 H ALA A 40 -5.055 -4.871 -4.591 1.00 75.31 H new ATOM 0 HA ALA A 40 -5.277 -2.410 -3.219 1.00 13.14 H new ATOM 0 HB1 ALA A 40 -3.043 -1.982 -4.235 1.00 2.23 H new ATOM 0 HB2 ALA A 40 -3.157 -3.622 -3.552 1.00 2.23 H new ATOM 0 HB3 ALA A 40 -3.281 -3.380 -5.310 1.00 2.23 H new ATOM 623 N MET A 41 -5.615 -0.506 -4.843 1.00 30.45 N ATOM 624 CA MET A 41 -6.101 0.564 -5.731 1.00 14.51 C ATOM 625 C MET A 41 -4.969 1.517 -6.163 1.00 52.02 C ATOM 626 O MET A 41 -3.987 1.709 -5.442 1.00 15.03 O ATOM 627 CB MET A 41 -7.241 1.339 -5.050 1.00 71.34 C ATOM 628 CG MET A 41 -6.902 1.862 -3.661 1.00 75.53 C ATOM 629 SD MET A 41 -8.346 2.504 -2.785 1.00 13.35 S ATOM 630 CE MET A 41 -8.864 3.829 -3.874 1.00 34.20 C ATOM 0 H MET A 41 -5.341 -0.186 -3.914 1.00 30.45 H new ATOM 0 HA MET A 41 -6.483 0.095 -6.638 1.00 14.51 H new ATOM 0 HB2 MET A 41 -7.522 2.180 -5.684 1.00 71.34 H new ATOM 0 HB3 MET A 41 -8.113 0.690 -4.978 1.00 71.34 H new ATOM 0 HG2 MET A 41 -6.454 1.060 -3.075 1.00 75.53 H new ATOM 0 HG3 MET A 41 -6.154 2.650 -3.747 1.00 75.53 H new ATOM 0 HE1 MET A 41 -9.325 4.623 -3.287 1.00 34.20 H new ATOM 0 HE2 MET A 41 -7.997 4.225 -4.403 1.00 34.20 H new ATOM 0 HE3 MET A 41 -9.585 3.446 -4.596 1.00 34.20 H new ATOM 640 N ALA A 42 -5.129 2.121 -7.344 1.00 74.43 N ATOM 641 CA ALA A 42 -4.067 2.926 -7.969 1.00 3.32 C ATOM 642 C ALA A 42 -3.942 4.339 -7.370 1.00 55.44 C ATOM 643 O ALA A 42 -4.805 5.197 -7.573 1.00 0.23 O ATOM 644 CB ALA A 42 -4.303 3.015 -9.474 1.00 61.31 C ATOM 0 H ALA A 42 -5.988 2.069 -7.892 1.00 74.43 H new ATOM 0 HA ALA A 42 -3.125 2.418 -7.764 1.00 3.32 H new ATOM 0 HB1 ALA A 42 -3.514 3.612 -9.931 1.00 61.31 H new ATOM 0 HB2 ALA A 42 -4.295 2.013 -9.903 1.00 61.31 H new ATOM 0 HB3 ALA A 42 -5.269 3.484 -9.664 1.00 61.31 H new ATOM 650 N MET A 43 -2.853 4.571 -6.639 1.00 13.11 N ATOM 651 CA MET A 43 -2.507 5.905 -6.128 1.00 1.21 C ATOM 652 C MET A 43 -0.987 6.112 -6.168 1.00 2.02 C ATOM 653 O MET A 43 -0.290 5.874 -5.181 1.00 43.43 O ATOM 654 CB MET A 43 -3.047 6.108 -4.700 1.00 41.42 C ATOM 655 CG MET A 43 -4.537 6.411 -4.646 1.00 41.24 C ATOM 656 SD MET A 43 -5.185 6.491 -2.968 1.00 22.33 S ATOM 657 CE MET A 43 -6.901 6.870 -3.306 1.00 53.11 C ATOM 0 H MET A 43 -2.184 3.845 -6.382 1.00 13.11 H new ATOM 0 HA MET A 43 -2.977 6.649 -6.771 1.00 1.21 H new ATOM 0 HB2 MET A 43 -2.846 5.211 -4.114 1.00 41.42 H new ATOM 0 HB3 MET A 43 -2.502 6.925 -4.228 1.00 41.42 H new ATOM 0 HG2 MET A 43 -4.726 7.360 -5.147 1.00 41.24 H new ATOM 0 HG3 MET A 43 -5.077 5.644 -5.201 1.00 41.24 H new ATOM 0 HE1 MET A 43 -7.526 6.466 -2.510 1.00 53.11 H new ATOM 0 HE2 MET A 43 -7.032 7.951 -3.357 1.00 53.11 H new ATOM 0 HE3 MET A 43 -7.192 6.424 -4.257 1.00 53.11 H new ATOM 667 N PRO A 44 -0.459 6.573 -7.322 1.00 44.14 N ATOM 668 CA PRO A 44 0.991 6.694 -7.539 1.00 54.43 C ATOM 669 C PRO A 44 1.597 7.731 -6.579 1.00 32.54 C ATOM 670 O PRO A 44 1.036 8.807 -6.398 1.00 5.25 O ATOM 671 CB PRO A 44 1.109 7.123 -9.025 1.00 63.02 C ATOM 672 CG PRO A 44 -0.260 6.953 -9.608 1.00 11.11 C ATOM 673 CD PRO A 44 -1.230 7.074 -8.468 1.00 21.40 C ATOM 0 HA PRO A 44 1.538 5.772 -7.341 1.00 54.43 H new ATOM 0 HB2 PRO A 44 1.444 8.157 -9.108 1.00 63.02 H new ATOM 0 HB3 PRO A 44 1.838 6.508 -9.553 1.00 63.02 H new ATOM 0 HG2 PRO A 44 -0.456 7.712 -10.365 1.00 11.11 H new ATOM 0 HG3 PRO A 44 -0.355 5.983 -10.097 1.00 11.11 H new ATOM 0 HD2 PRO A 44 -1.551 8.105 -8.319 1.00 21.40 H new ATOM 0 HD3 PRO A 44 -2.129 6.482 -8.639 1.00 21.40 H new ATOM 681 N ILE A 45 2.743 7.400 -5.976 1.00 55.13 N ATOM 682 CA ILE A 45 3.285 8.145 -4.820 1.00 15.04 C ATOM 683 C ILE A 45 3.233 9.684 -4.972 1.00 45.42 C ATOM 684 O ILE A 45 3.038 10.402 -3.989 1.00 73.20 O ATOM 685 CB ILE A 45 4.737 7.695 -4.515 1.00 14.15 C ATOM 686 CG1 ILE A 45 5.221 8.271 -3.169 1.00 63.12 C ATOM 687 CG2 ILE A 45 5.682 8.093 -5.652 1.00 30.32 C ATOM 688 CD1 ILE A 45 6.564 7.733 -2.720 1.00 34.43 C ATOM 0 H ILE A 45 3.323 6.614 -6.268 1.00 55.13 H new ATOM 0 HA ILE A 45 2.629 7.900 -3.984 1.00 15.04 H new ATOM 0 HB ILE A 45 4.743 6.608 -4.437 1.00 14.15 H new ATOM 0 HG12 ILE A 45 5.284 9.356 -3.251 1.00 63.12 H new ATOM 0 HG13 ILE A 45 4.478 8.052 -2.402 1.00 63.12 H new ATOM 0 HG21 ILE A 45 6.695 7.767 -5.415 1.00 30.32 H new ATOM 0 HG22 ILE A 45 5.356 7.620 -6.578 1.00 30.32 H new ATOM 0 HG23 ILE A 45 5.669 9.176 -5.773 1.00 30.32 H new ATOM 0 HD11 ILE A 45 6.836 8.185 -1.766 1.00 34.43 H new ATOM 0 HD12 ILE A 45 6.502 6.651 -2.605 1.00 34.43 H new ATOM 0 HD13 ILE A 45 7.321 7.976 -3.466 1.00 34.43 H new ATOM 700 N GLU A 46 3.389 10.192 -6.192 1.00 44.23 N ATOM 701 CA GLU A 46 3.322 11.642 -6.430 1.00 2.33 C ATOM 702 C GLU A 46 1.875 12.164 -6.379 1.00 4.33 C ATOM 703 O GLU A 46 1.618 13.263 -5.885 1.00 0.32 O ATOM 704 CB GLU A 46 3.962 11.995 -7.778 1.00 44.24 C ATOM 705 CG GLU A 46 3.344 11.276 -8.972 1.00 42.44 C ATOM 706 CD GLU A 46 3.944 11.730 -10.292 1.00 4.31 C ATOM 707 OE1 GLU A 46 5.092 11.344 -10.591 1.00 12.22 O ATOM 708 OE2 GLU A 46 3.270 12.478 -11.033 1.00 44.34 O ATOM 0 H GLU A 46 3.561 9.632 -7.027 1.00 44.23 H new ATOM 0 HA GLU A 46 3.880 12.129 -5.630 1.00 2.33 H new ATOM 0 HB2 GLU A 46 3.882 13.071 -7.935 1.00 44.24 H new ATOM 0 HB3 GLU A 46 5.025 11.758 -7.736 1.00 44.24 H new ATOM 0 HG2 GLU A 46 3.488 10.201 -8.861 1.00 42.44 H new ATOM 0 HG3 GLU A 46 2.269 11.454 -8.984 1.00 42.44 H new ATOM 715 N ASP A 47 0.938 11.366 -6.887 1.00 30.33 N ATOM 716 CA ASP A 47 -0.482 11.740 -6.919 1.00 11.22 C ATOM 717 C ASP A 47 -1.208 11.244 -5.654 1.00 34.25 C ATOM 718 O ASP A 47 -2.357 11.599 -5.400 1.00 55.14 O ATOM 719 CB ASP A 47 -1.137 11.130 -8.170 1.00 72.40 C ATOM 720 CG ASP A 47 -2.371 11.885 -8.637 1.00 21.42 C ATOM 721 OD1 ASP A 47 -2.555 13.057 -8.249 1.00 25.53 O ATOM 722 OD2 ASP A 47 -3.160 11.311 -9.410 1.00 2.51 O ATOM 0 H ASP A 47 1.135 10.448 -7.286 1.00 30.33 H new ATOM 0 HA ASP A 47 -0.560 12.827 -6.952 1.00 11.22 H new ATOM 0 HB2 ASP A 47 -0.407 11.108 -8.979 1.00 72.40 H new ATOM 0 HB3 ASP A 47 -1.411 10.096 -7.960 1.00 72.40 H new ATOM 727 N LEU A 48 -0.511 10.420 -4.873 1.00 43.30 N ATOM 728 CA LEU A 48 -1.071 9.763 -3.679 1.00 35.11 C ATOM 729 C LEU A 48 -1.898 10.705 -2.783 1.00 52.32 C ATOM 730 O LEU A 48 -3.073 10.444 -2.525 1.00 53.42 O ATOM 731 CB LEU A 48 0.070 9.154 -2.858 1.00 23.33 C ATOM 732 CG LEU A 48 -0.345 8.471 -1.544 1.00 75.30 C ATOM 733 CD1 LEU A 48 -1.223 7.252 -1.813 1.00 31.14 C ATOM 734 CD2 LEU A 48 0.885 8.089 -0.727 1.00 3.34 C ATOM 0 H LEU A 48 0.466 10.184 -5.047 1.00 43.30 H new ATOM 0 HA LEU A 48 -1.756 8.994 -4.037 1.00 35.11 H new ATOM 0 HB2 LEU A 48 0.589 8.423 -3.478 1.00 23.33 H new ATOM 0 HB3 LEU A 48 0.787 9.942 -2.626 1.00 23.33 H new ATOM 0 HG LEU A 48 -0.933 9.181 -0.963 1.00 75.30 H new ATOM 0 HD11 LEU A 48 -1.502 6.788 -0.867 1.00 31.14 H new ATOM 0 HD12 LEU A 48 -2.123 7.562 -2.344 1.00 31.14 H new ATOM 0 HD13 LEU A 48 -0.672 6.534 -2.420 1.00 31.14 H new ATOM 0 HD21 LEU A 48 0.571 7.607 0.199 1.00 3.34 H new ATOM 0 HD22 LEU A 48 1.505 7.401 -1.302 1.00 3.34 H new ATOM 0 HD23 LEU A 48 1.459 8.985 -0.493 1.00 3.34 H new ATOM 746 N VAL A 49 -1.280 11.787 -2.304 1.00 42.23 N ATOM 747 CA VAL A 49 -1.941 12.709 -1.363 1.00 71.34 C ATOM 748 C VAL A 49 -3.268 13.244 -1.923 1.00 31.54 C ATOM 749 O VAL A 49 -4.313 13.151 -1.278 1.00 61.30 O ATOM 750 CB VAL A 49 -1.022 13.906 -1.012 1.00 3.30 C ATOM 751 CG1 VAL A 49 -1.715 14.861 -0.040 1.00 0.31 C ATOM 752 CG2 VAL A 49 0.308 13.415 -0.441 1.00 5.01 C ATOM 0 H VAL A 49 -0.325 12.050 -2.548 1.00 42.23 H new ATOM 0 HA VAL A 49 -2.148 12.133 -0.461 1.00 71.34 H new ATOM 0 HB VAL A 49 -0.815 14.456 -1.930 1.00 3.30 H new ATOM 0 HG11 VAL A 49 -1.049 15.692 0.190 1.00 0.31 H new ATOM 0 HG12 VAL A 49 -2.629 15.243 -0.495 1.00 0.31 H new ATOM 0 HG13 VAL A 49 -1.962 14.329 0.879 1.00 0.31 H new ATOM 0 HG21 VAL A 49 0.939 14.271 -0.201 1.00 5.01 H new ATOM 0 HG22 VAL A 49 0.124 12.835 0.463 1.00 5.01 H new ATOM 0 HG23 VAL A 49 0.811 12.789 -1.178 1.00 5.01 H new ATOM 762 N ASP A 50 -3.210 13.800 -3.126 1.00 70.34 N ATOM 763 CA ASP A 50 -4.397 14.326 -3.812 1.00 12.35 C ATOM 764 C ASP A 50 -5.463 13.237 -4.039 1.00 73.34 C ATOM 765 O ASP A 50 -6.642 13.435 -3.731 1.00 73.22 O ATOM 766 CB ASP A 50 -3.981 14.949 -5.144 1.00 44.14 C ATOM 767 CG ASP A 50 -3.040 16.121 -4.948 1.00 34.45 C ATOM 768 OD1 ASP A 50 -1.853 15.894 -4.632 1.00 51.31 O ATOM 769 OD2 ASP A 50 -3.488 17.279 -5.084 1.00 13.30 O ATOM 0 H ASP A 50 -2.345 13.902 -3.657 1.00 70.34 H new ATOM 0 HA ASP A 50 -4.847 15.087 -3.174 1.00 12.35 H new ATOM 0 HB2 ASP A 50 -3.497 14.194 -5.763 1.00 44.14 H new ATOM 0 HB3 ASP A 50 -4.868 15.282 -5.683 1.00 44.14 H new ATOM 774 N ARG A 51 -5.035 12.094 -4.574 1.00 1.24 N ATOM 775 CA ARG A 51 -5.917 10.936 -4.788 1.00 25.42 C ATOM 776 C ARG A 51 -6.649 10.532 -3.498 1.00 5.01 C ATOM 777 O ARG A 51 -7.878 10.419 -3.469 1.00 70.44 O ATOM 778 CB ARG A 51 -5.085 9.748 -5.300 1.00 1.32 C ATOM 779 CG ARG A 51 -4.638 9.874 -6.755 1.00 22.40 C ATOM 780 CD ARG A 51 -5.680 9.318 -7.721 1.00 72.00 C ATOM 781 NE ARG A 51 -5.517 9.858 -9.067 1.00 30.44 N ATOM 782 CZ ARG A 51 -6.160 9.434 -10.120 1.00 34.32 C ATOM 783 NH1 ARG A 51 -6.949 8.409 -10.046 1.00 15.40 N ATOM 784 NH2 ARG A 51 -5.989 10.021 -11.258 1.00 23.34 N ATOM 0 H ARG A 51 -4.072 11.940 -4.872 1.00 1.24 H new ATOM 0 HA ARG A 51 -6.669 11.217 -5.526 1.00 25.42 H new ATOM 0 HB2 ARG A 51 -4.203 9.639 -4.669 1.00 1.32 H new ATOM 0 HB3 ARG A 51 -5.670 8.835 -5.190 1.00 1.32 H new ATOM 0 HG2 ARG A 51 -4.450 10.922 -6.988 1.00 22.40 H new ATOM 0 HG3 ARG A 51 -3.696 9.343 -6.893 1.00 22.40 H new ATOM 0 HD2 ARG A 51 -5.601 8.231 -7.754 1.00 72.00 H new ATOM 0 HD3 ARG A 51 -6.679 9.554 -7.353 1.00 72.00 H new ATOM 0 HE ARG A 51 -4.853 10.622 -9.194 1.00 30.44 H new ATOM 0 HH11 ARG A 51 -7.073 7.924 -9.157 1.00 15.40 H new ATOM 0 HH12 ARG A 51 -7.446 8.087 -10.876 1.00 15.40 H new ATOM 0 HH21 ARG A 51 -5.352 10.814 -11.332 1.00 23.34 H new ATOM 0 HH22 ARG A 51 -6.491 9.691 -12.083 1.00 23.34 H new ATOM 798 N ALA A 52 -5.881 10.307 -2.438 1.00 21.41 N ATOM 799 CA ALA A 52 -6.435 9.897 -1.147 1.00 52.44 C ATOM 800 C ALA A 52 -7.338 10.984 -0.545 1.00 23.12 C ATOM 801 O ALA A 52 -8.455 10.706 -0.122 1.00 50.45 O ATOM 802 CB ALA A 52 -5.310 9.541 -0.187 1.00 45.20 C ATOM 0 H ALA A 52 -4.865 10.402 -2.445 1.00 21.41 H new ATOM 0 HA ALA A 52 -7.055 9.016 -1.312 1.00 52.44 H new ATOM 0 HB1 ALA A 52 -5.732 9.237 0.771 1.00 45.20 H new ATOM 0 HB2 ALA A 52 -4.724 8.721 -0.602 1.00 45.20 H new ATOM 0 HB3 ALA A 52 -4.667 10.409 -0.041 1.00 45.20 H new ATOM 808 N SER A 53 -6.853 12.223 -0.525 1.00 22.22 N ATOM 809 CA SER A 53 -7.632 13.360 -0.001 1.00 54.30 C ATOM 810 C SER A 53 -8.985 13.495 -0.718 1.00 64.31 C ATOM 811 O SER A 53 -9.993 13.874 -0.116 1.00 11.32 O ATOM 812 CB SER A 53 -6.833 14.663 -0.147 1.00 5.13 C ATOM 813 OG SER A 53 -7.541 15.773 0.386 1.00 5.43 O ATOM 0 H SER A 53 -5.924 12.473 -0.864 1.00 22.22 H new ATOM 0 HA SER A 53 -7.826 13.170 1.055 1.00 54.30 H new ATOM 0 HB2 SER A 53 -5.875 14.562 0.364 1.00 5.13 H new ATOM 0 HB3 SER A 53 -6.616 14.841 -1.200 1.00 5.13 H new ATOM 0 HG SER A 53 -7.004 16.586 0.278 1.00 5.43 H new ATOM 819 N SER A 54 -8.999 13.155 -2.003 1.00 70.14 N ATOM 820 CA SER A 54 -10.211 13.236 -2.832 1.00 43.42 C ATOM 821 C SER A 54 -11.178 12.061 -2.591 1.00 62.15 C ATOM 822 O SER A 54 -12.351 12.129 -2.961 1.00 64.01 O ATOM 823 CB SER A 54 -9.819 13.284 -4.320 1.00 73.41 C ATOM 824 OG SER A 54 -10.951 13.177 -5.171 1.00 60.05 O ATOM 0 H SER A 54 -8.177 12.816 -2.503 1.00 70.14 H new ATOM 0 HA SER A 54 -10.734 14.148 -2.546 1.00 43.42 H new ATOM 0 HB2 SER A 54 -9.296 14.218 -4.527 1.00 73.41 H new ATOM 0 HB3 SER A 54 -9.123 12.474 -4.538 1.00 73.41 H new ATOM 0 HG SER A 54 -10.661 13.213 -6.107 1.00 60.05 H new ATOM 830 N SER A 55 -10.702 10.992 -1.952 1.00 14.54 N ATOM 831 CA SER A 55 -11.510 9.766 -1.806 1.00 55.43 C ATOM 832 C SER A 55 -11.516 9.230 -0.366 1.00 20.03 C ATOM 833 O SER A 55 -12.568 9.115 0.263 1.00 31.55 O ATOM 834 CB SER A 55 -10.973 8.679 -2.748 1.00 30.33 C ATOM 835 OG SER A 55 -10.838 9.167 -4.076 1.00 43.25 O ATOM 0 H SER A 55 -9.775 10.943 -1.530 1.00 14.54 H new ATOM 0 HA SER A 55 -12.537 10.026 -2.064 1.00 55.43 H new ATOM 0 HB2 SER A 55 -10.006 8.328 -2.387 1.00 30.33 H new ATOM 0 HB3 SER A 55 -11.647 7.822 -2.740 1.00 30.33 H new ATOM 0 HG SER A 55 -9.975 9.621 -4.172 1.00 43.25 H new ATOM 841 N LEU A 56 -10.335 8.899 0.143 1.00 71.31 N ATOM 842 CA LEU A 56 -10.190 8.245 1.452 1.00 50.04 C ATOM 843 C LEU A 56 -10.300 9.240 2.619 1.00 35.02 C ATOM 844 O LEU A 56 -9.917 10.405 2.496 1.00 25.20 O ATOM 845 CB LEU A 56 -8.833 7.532 1.514 1.00 32.35 C ATOM 846 CG LEU A 56 -8.621 6.442 0.452 1.00 45.14 C ATOM 847 CD1 LEU A 56 -7.166 5.981 0.428 1.00 43.32 C ATOM 848 CD2 LEU A 56 -9.557 5.263 0.706 1.00 63.10 C ATOM 0 H LEU A 56 -9.450 9.073 -0.333 1.00 71.31 H new ATOM 0 HA LEU A 56 -11.005 7.529 1.556 1.00 50.04 H new ATOM 0 HB2 LEU A 56 -8.044 8.277 1.411 1.00 32.35 H new ATOM 0 HB3 LEU A 56 -8.721 7.083 2.501 1.00 32.35 H new ATOM 0 HG LEU A 56 -8.855 6.865 -0.525 1.00 45.14 H new ATOM 0 HD11 LEU A 56 -7.041 5.209 -0.332 1.00 43.32 H new ATOM 0 HD12 LEU A 56 -6.520 6.827 0.195 1.00 43.32 H new ATOM 0 HD13 LEU A 56 -6.896 5.577 1.404 1.00 43.32 H new ATOM 0 HD21 LEU A 56 -9.395 4.499 -0.055 1.00 63.10 H new ATOM 0 HD22 LEU A 56 -9.354 4.843 1.691 1.00 63.10 H new ATOM 0 HD23 LEU A 56 -10.591 5.604 0.663 1.00 63.10 H new ATOM 860 N GLU A 57 -10.825 8.771 3.749 1.00 74.22 N ATOM 861 CA GLU A 57 -10.881 9.578 4.973 1.00 13.31 C ATOM 862 C GLU A 57 -9.615 9.368 5.819 1.00 42.02 C ATOM 863 O GLU A 57 -8.838 8.443 5.579 1.00 55.01 O ATOM 864 CB GLU A 57 -12.127 9.248 5.818 1.00 73.41 C ATOM 865 CG GLU A 57 -12.154 7.832 6.398 1.00 53.44 C ATOM 866 CD GLU A 57 -12.853 6.818 5.503 1.00 1.41 C ATOM 867 OE1 GLU A 57 -12.322 6.498 4.422 1.00 40.14 O ATOM 868 OE2 GLU A 57 -13.933 6.324 5.886 1.00 23.20 O ATOM 0 H GLU A 57 -11.219 7.835 3.846 1.00 74.22 H new ATOM 0 HA GLU A 57 -10.943 10.622 4.667 1.00 13.31 H new ATOM 0 HB2 GLU A 57 -12.192 9.963 6.639 1.00 73.41 H new ATOM 0 HB3 GLU A 57 -13.015 9.390 5.201 1.00 73.41 H new ATOM 0 HG2 GLU A 57 -11.130 7.502 6.576 1.00 53.44 H new ATOM 0 HG3 GLU A 57 -12.654 7.855 7.366 1.00 53.44 H new ATOM 875 N LYS A 58 -9.429 10.212 6.828 1.00 64.32 N ATOM 876 CA LYS A 58 -8.217 10.184 7.654 1.00 44.53 C ATOM 877 C LYS A 58 -8.217 8.987 8.629 1.00 20.34 C ATOM 878 O LYS A 58 -7.161 8.532 9.078 1.00 63.25 O ATOM 879 CB LYS A 58 -8.091 11.508 8.427 1.00 62.24 C ATOM 880 CG LYS A 58 -8.219 12.748 7.535 1.00 65.20 C ATOM 881 CD LYS A 58 -7.110 12.828 6.487 1.00 70.32 C ATOM 882 CE LYS A 58 -7.409 13.867 5.411 1.00 41.41 C ATOM 883 NZ LYS A 58 -7.408 15.255 5.943 1.00 12.02 N ATOM 0 H LYS A 58 -10.103 10.929 7.098 1.00 64.32 H new ATOM 0 HA LYS A 58 -7.357 10.063 6.995 1.00 44.53 H new ATOM 0 HB2 LYS A 58 -8.860 11.544 9.199 1.00 62.24 H new ATOM 0 HB3 LYS A 58 -7.127 11.533 8.935 1.00 62.24 H new ATOM 0 HG2 LYS A 58 -9.187 12.734 7.035 1.00 65.20 H new ATOM 0 HG3 LYS A 58 -8.194 13.643 8.156 1.00 65.20 H new ATOM 0 HD2 LYS A 58 -6.167 13.074 6.976 1.00 70.32 H new ATOM 0 HD3 LYS A 58 -6.982 11.851 6.021 1.00 70.32 H new ATOM 0 HE2 LYS A 58 -6.668 13.786 4.616 1.00 41.41 H new ATOM 0 HE3 LYS A 58 -8.380 13.653 4.964 1.00 41.41 H new ATOM 0 HZ1 LYS A 58 -7.946 15.873 5.302 1.00 12.02 H new ATOM 0 HZ2 LYS A 58 -7.849 15.266 6.885 1.00 12.02 H new ATOM 0 HZ3 LYS A 58 -6.429 15.599 6.015 1.00 12.02 H new ATOM 897 N SER A 59 -9.405 8.470 8.944 1.00 22.11 N ATOM 898 CA SER A 59 -9.538 7.345 9.887 1.00 10.30 C ATOM 899 C SER A 59 -9.605 5.990 9.165 1.00 15.35 C ATOM 900 O SER A 59 -9.786 4.948 9.798 1.00 10.45 O ATOM 901 CB SER A 59 -10.781 7.530 10.769 1.00 55.12 C ATOM 902 OG SER A 59 -11.952 7.694 9.983 1.00 55.51 O ATOM 0 H SER A 59 -10.290 8.807 8.565 1.00 22.11 H new ATOM 0 HA SER A 59 -8.646 7.343 10.513 1.00 10.30 H new ATOM 0 HB2 SER A 59 -10.897 6.666 11.423 1.00 55.12 H new ATOM 0 HB3 SER A 59 -10.647 8.400 11.412 1.00 55.12 H new ATOM 0 HG SER A 59 -12.728 7.808 10.571 1.00 55.51 H new ATOM 908 N ARG A 60 -9.449 6.003 7.843 1.00 44.22 N ATOM 909 CA ARG A 60 -9.406 4.764 7.057 1.00 41.10 C ATOM 910 C ARG A 60 -8.115 3.986 7.341 1.00 70.15 C ATOM 911 O ARG A 60 -7.024 4.543 7.245 1.00 24.25 O ATOM 912 CB ARG A 60 -9.490 5.088 5.557 1.00 34.30 C ATOM 913 CG ARG A 60 -9.456 3.863 4.637 1.00 31.33 C ATOM 914 CD ARG A 60 -10.696 2.986 4.798 1.00 20.15 C ATOM 915 NE ARG A 60 -11.922 3.748 4.588 1.00 40.22 N ATOM 916 CZ ARG A 60 -13.049 3.254 4.160 1.00 34.05 C ATOM 917 NH1 ARG A 60 -13.163 2.000 3.863 1.00 71.14 N ATOM 918 NH2 ARG A 60 -14.070 4.035 4.032 1.00 5.01 N ATOM 0 H ARG A 60 -9.350 6.855 7.291 1.00 44.22 H new ATOM 0 HA ARG A 60 -10.258 4.148 7.344 1.00 41.10 H new ATOM 0 HB2 ARG A 60 -10.410 5.642 5.369 1.00 34.30 H new ATOM 0 HB3 ARG A 60 -8.662 5.747 5.294 1.00 34.30 H new ATOM 0 HG2 ARG A 60 -9.377 4.191 3.601 1.00 31.33 H new ATOM 0 HG3 ARG A 60 -8.565 3.273 4.853 1.00 31.33 H new ATOM 0 HD2 ARG A 60 -10.654 2.160 4.088 1.00 20.15 H new ATOM 0 HD3 ARG A 60 -10.706 2.548 5.796 1.00 20.15 H new ATOM 0 HE ARG A 60 -11.895 4.747 4.792 1.00 40.22 H new ATOM 0 HH11 ARG A 60 -12.361 1.377 3.962 1.00 71.14 H new ATOM 0 HH12 ARG A 60 -14.055 1.634 3.530 1.00 71.14 H new ATOM 0 HH21 ARG A 60 -13.987 5.025 4.265 1.00 5.01 H new ATOM 0 HH22 ARG A 60 -14.959 3.662 3.698 1.00 5.01 H new ATOM 932 N ASP A 61 -8.236 2.710 7.707 1.00 60.24 N ATOM 933 CA ASP A 61 -7.060 1.856 7.887 1.00 44.11 C ATOM 934 C ASP A 61 -6.359 1.618 6.539 1.00 41.40 C ATOM 935 O ASP A 61 -6.732 0.738 5.765 1.00 73.44 O ATOM 936 CB ASP A 61 -7.457 0.529 8.545 1.00 33.32 C ATOM 937 CG ASP A 61 -7.936 0.715 9.976 1.00 72.23 C ATOM 938 OD1 ASP A 61 -8.809 1.578 10.212 1.00 14.31 O ATOM 939 OD2 ASP A 61 -7.429 0.015 10.881 1.00 54.43 O ATOM 0 H ASP A 61 -9.128 2.247 7.884 1.00 60.24 H new ATOM 0 HA ASP A 61 -6.357 2.363 8.548 1.00 44.11 H new ATOM 0 HB2 ASP A 61 -8.245 0.057 7.959 1.00 33.32 H new ATOM 0 HB3 ASP A 61 -6.603 -0.149 8.535 1.00 33.32 H new ATOM 944 N ILE A 62 -5.349 2.432 6.265 1.00 64.34 N ATOM 945 CA ILE A 62 -4.647 2.410 4.983 1.00 22.20 C ATOM 946 C ILE A 62 -3.307 1.667 5.067 1.00 11.23 C ATOM 947 O ILE A 62 -2.451 1.988 5.892 1.00 22.42 O ATOM 948 CB ILE A 62 -4.393 3.853 4.477 1.00 33.35 C ATOM 949 CG1 ILE A 62 -5.728 4.580 4.241 1.00 24.32 C ATOM 950 CG2 ILE A 62 -3.548 3.843 3.205 1.00 20.41 C ATOM 951 CD1 ILE A 62 -5.578 6.028 3.819 1.00 33.42 C ATOM 0 H ILE A 62 -4.991 3.126 6.922 1.00 64.34 H new ATOM 0 HA ILE A 62 -5.291 1.876 4.284 1.00 22.20 H new ATOM 0 HB ILE A 62 -3.837 4.393 5.244 1.00 33.35 H new ATOM 0 HG12 ILE A 62 -6.290 4.046 3.475 1.00 24.32 H new ATOM 0 HG13 ILE A 62 -6.319 4.539 5.156 1.00 24.32 H new ATOM 0 HG21 ILE A 62 -3.383 4.867 2.869 1.00 20.41 H new ATOM 0 HG22 ILE A 62 -2.588 3.369 3.410 1.00 20.41 H new ATOM 0 HG23 ILE A 62 -4.069 3.285 2.427 1.00 20.41 H new ATOM 0 HD11 ILE A 62 -6.564 6.468 3.673 1.00 33.42 H new ATOM 0 HD12 ILE A 62 -5.045 6.579 4.594 1.00 33.42 H new ATOM 0 HD13 ILE A 62 -5.016 6.079 2.886 1.00 33.42 H new ATOM 963 N TYR A 63 -3.140 0.670 4.206 1.00 53.02 N ATOM 964 CA TYR A 63 -1.867 -0.038 4.066 1.00 4.01 C ATOM 965 C TYR A 63 -1.189 0.344 2.744 1.00 25.52 C ATOM 966 O TYR A 63 -1.712 0.089 1.658 1.00 43.11 O ATOM 967 CB TYR A 63 -2.083 -1.554 4.146 1.00 1.31 C ATOM 968 CG TYR A 63 -2.415 -2.051 5.544 1.00 52.11 C ATOM 969 CD1 TYR A 63 -3.703 -1.943 6.058 1.00 50.52 C ATOM 970 CD2 TYR A 63 -1.436 -2.624 6.351 1.00 2.22 C ATOM 971 CE1 TYR A 63 -4.005 -2.393 7.330 1.00 5.53 C ATOM 972 CE2 TYR A 63 -1.732 -3.077 7.622 1.00 43.32 C ATOM 973 CZ TYR A 63 -3.016 -2.958 8.107 1.00 75.04 C ATOM 974 OH TYR A 63 -3.313 -3.410 9.373 1.00 61.05 O ATOM 0 H TYR A 63 -3.876 0.329 3.588 1.00 53.02 H new ATOM 0 HA TYR A 63 -1.213 0.256 4.887 1.00 4.01 H new ATOM 0 HB2 TYR A 63 -2.891 -1.833 3.469 1.00 1.31 H new ATOM 0 HB3 TYR A 63 -1.184 -2.059 3.794 1.00 1.31 H new ATOM 0 HD1 TYR A 63 -4.480 -1.500 5.453 1.00 50.52 H new ATOM 0 HD2 TYR A 63 -0.427 -2.716 5.977 1.00 2.22 H new ATOM 0 HE1 TYR A 63 -5.011 -2.302 7.713 1.00 5.53 H new ATOM 0 HE2 TYR A 63 -0.960 -3.522 8.233 1.00 43.32 H new ATOM 0 HH TYR A 63 -2.505 -3.781 9.786 1.00 61.05 H new ATOM 984 N VAL A 64 -0.020 0.957 2.850 1.00 70.13 N ATOM 985 CA VAL A 64 0.708 1.463 1.686 1.00 12.11 C ATOM 986 C VAL A 64 1.895 0.561 1.343 1.00 45.35 C ATOM 987 O VAL A 64 2.621 0.120 2.235 1.00 42.52 O ATOM 988 CB VAL A 64 1.223 2.899 1.958 1.00 22.32 C ATOM 989 CG1 VAL A 64 2.110 3.395 0.821 1.00 41.11 C ATOM 990 CG2 VAL A 64 0.055 3.855 2.193 1.00 32.02 C ATOM 0 H VAL A 64 0.453 1.120 3.739 1.00 70.13 H new ATOM 0 HA VAL A 64 0.018 1.473 0.842 1.00 12.11 H new ATOM 0 HB VAL A 64 1.831 2.870 2.863 1.00 22.32 H new ATOM 0 HG11 VAL A 64 2.455 4.405 1.043 1.00 41.11 H new ATOM 0 HG12 VAL A 64 2.970 2.733 0.715 1.00 41.11 H new ATOM 0 HG13 VAL A 64 1.540 3.402 -0.108 1.00 41.11 H new ATOM 0 HG21 VAL A 64 0.438 4.858 2.382 1.00 32.02 H new ATOM 0 HG22 VAL A 64 -0.585 3.871 1.311 1.00 32.02 H new ATOM 0 HG23 VAL A 64 -0.523 3.519 3.054 1.00 32.02 H new ATOM 1000 N TYR A 65 2.091 0.281 0.054 1.00 4.11 N ATOM 1001 CA TYR A 65 3.245 -0.507 -0.376 1.00 1.41 C ATOM 1002 C TYR A 65 3.894 0.072 -1.643 1.00 55.52 C ATOM 1003 O TYR A 65 3.218 0.397 -2.627 1.00 60.44 O ATOM 1004 CB TYR A 65 2.853 -1.978 -0.589 1.00 30.34 C ATOM 1005 CG TYR A 65 2.042 -2.261 -1.843 1.00 34.22 C ATOM 1006 CD1 TYR A 65 0.737 -1.802 -1.987 1.00 34.14 C ATOM 1007 CD2 TYR A 65 2.587 -3.009 -2.878 1.00 55.35 C ATOM 1008 CE1 TYR A 65 0.005 -2.083 -3.126 1.00 53.03 C ATOM 1009 CE2 TYR A 65 1.861 -3.297 -4.014 1.00 71.22 C ATOM 1010 CZ TYR A 65 0.572 -2.831 -4.135 1.00 63.54 C ATOM 1011 OH TYR A 65 -0.156 -3.126 -5.265 1.00 40.31 O ATOM 0 H TYR A 65 1.475 0.583 -0.701 1.00 4.11 H new ATOM 0 HA TYR A 65 3.987 -0.458 0.421 1.00 1.41 H new ATOM 0 HB2 TYR A 65 3.763 -2.578 -0.622 1.00 30.34 H new ATOM 0 HB3 TYR A 65 2.281 -2.313 0.276 1.00 30.34 H new ATOM 0 HD1 TYR A 65 0.289 -1.217 -1.197 1.00 34.14 H new ATOM 0 HD2 TYR A 65 3.600 -3.373 -2.791 1.00 55.35 H new ATOM 0 HE1 TYR A 65 -1.007 -1.718 -3.224 1.00 53.03 H new ATOM 0 HE2 TYR A 65 2.302 -3.885 -4.805 1.00 71.22 H new ATOM 0 HH TYR A 65 0.022 -2.452 -5.954 1.00 40.31 H new ATOM 1021 N GLY A 66 5.212 0.222 -1.585 1.00 61.11 N ATOM 1022 CA GLY A 66 5.991 0.667 -2.733 1.00 4.51 C ATOM 1023 C GLY A 66 6.947 -0.410 -3.234 1.00 44.31 C ATOM 1024 O GLY A 66 6.868 -1.567 -2.815 1.00 64.04 O ATOM 0 H GLY A 66 5.766 0.040 -0.748 1.00 61.11 H new ATOM 0 HA2 GLY A 66 5.315 0.954 -3.539 1.00 4.51 H new ATOM 0 HA3 GLY A 66 6.559 1.557 -2.461 1.00 4.51 H new ATOM 1028 N ALA A 67 7.841 -0.041 -4.148 1.00 3.10 N ATOM 1029 CA ALA A 67 8.872 -0.969 -4.632 1.00 32.13 C ATOM 1030 C ALA A 67 9.814 -1.388 -3.490 1.00 14.44 C ATOM 1031 O ALA A 67 10.141 -2.567 -3.334 1.00 54.51 O ATOM 1032 CB ALA A 67 9.661 -0.339 -5.775 1.00 32.31 C ATOM 0 H ALA A 67 7.877 0.887 -4.569 1.00 3.10 H new ATOM 0 HA ALA A 67 8.376 -1.865 -5.006 1.00 32.13 H new ATOM 0 HB1 ALA A 67 10.421 -1.039 -6.122 1.00 32.31 H new ATOM 0 HB2 ALA A 67 8.985 -0.101 -6.596 1.00 32.31 H new ATOM 0 HB3 ALA A 67 10.142 0.574 -5.425 1.00 32.31 H new ATOM 1038 N GLY A 68 10.242 -0.407 -2.702 1.00 70.41 N ATOM 1039 CA GLY A 68 11.053 -0.673 -1.518 1.00 1.14 C ATOM 1040 C GLY A 68 10.512 0.037 -0.278 1.00 40.43 C ATOM 1041 O GLY A 68 9.569 0.830 -0.371 1.00 24.55 O ATOM 0 H GLY A 68 10.041 0.580 -2.862 1.00 70.41 H new ATOM 0 HA2 GLY A 68 11.085 -1.747 -1.335 1.00 1.14 H new ATOM 0 HA3 GLY A 68 12.078 -0.350 -1.701 1.00 1.14 H new ATOM 1045 N ASP A 69 11.104 -0.237 0.884 1.00 30.32 N ATOM 1046 CA ASP A 69 10.655 0.368 2.144 1.00 4.45 C ATOM 1047 C ASP A 69 10.748 1.905 2.122 1.00 34.13 C ATOM 1048 O ASP A 69 9.921 2.584 2.726 1.00 54.22 O ATOM 1049 CB ASP A 69 11.456 -0.197 3.320 1.00 4.11 C ATOM 1050 CG ASP A 69 11.108 -1.647 3.608 1.00 32.40 C ATOM 1051 OD1 ASP A 69 11.559 -2.534 2.857 1.00 52.14 O ATOM 1052 OD2 ASP A 69 10.378 -1.909 4.588 1.00 73.25 O ATOM 0 H ASP A 69 11.895 -0.873 0.982 1.00 30.32 H new ATOM 0 HA ASP A 69 9.603 0.111 2.268 1.00 4.45 H new ATOM 0 HB2 ASP A 69 12.521 -0.117 3.103 1.00 4.11 H new ATOM 0 HB3 ASP A 69 11.265 0.404 4.209 1.00 4.11 H new ATOM 1057 N GLU A 70 11.745 2.449 1.423 1.00 43.13 N ATOM 1058 CA GLU A 70 11.894 3.909 1.303 1.00 25.43 C ATOM 1059 C GLU A 70 10.660 4.557 0.649 1.00 42.12 C ATOM 1060 O GLU A 70 10.065 5.485 1.202 1.00 52.13 O ATOM 1061 CB GLU A 70 13.144 4.260 0.483 1.00 42.43 C ATOM 1062 CG GLU A 70 13.312 5.759 0.230 1.00 44.20 C ATOM 1063 CD GLU A 70 14.495 6.079 -0.670 1.00 33.40 C ATOM 1064 OE1 GLU A 70 14.345 6.010 -1.910 1.00 22.31 O ATOM 1065 OE2 GLU A 70 15.580 6.410 -0.144 1.00 31.33 O ATOM 0 H GLU A 70 12.459 1.910 0.933 1.00 43.13 H new ATOM 0 HA GLU A 70 11.996 4.303 2.314 1.00 25.43 H new ATOM 0 HB2 GLU A 70 14.026 3.887 1.004 1.00 42.43 H new ATOM 0 HB3 GLU A 70 13.097 3.742 -0.475 1.00 42.43 H new ATOM 0 HG2 GLU A 70 12.401 6.150 -0.223 1.00 44.20 H new ATOM 0 HG3 GLU A 70 13.439 6.271 1.184 1.00 44.20 H new ATOM 1072 N GLN A 71 10.274 4.056 -0.523 1.00 5.04 N ATOM 1073 CA GLN A 71 9.103 4.574 -1.242 1.00 64.31 C ATOM 1074 C GLN A 71 7.825 4.357 -0.425 1.00 42.32 C ATOM 1075 O GLN A 71 6.961 5.233 -0.344 1.00 31.11 O ATOM 1076 CB GLN A 71 8.980 3.890 -2.612 1.00 61.24 C ATOM 1077 CG GLN A 71 7.814 4.391 -3.459 1.00 75.31 C ATOM 1078 CD GLN A 71 7.790 3.780 -4.850 1.00 72.21 C ATOM 1079 OE1 GLN A 71 8.233 2.655 -5.058 1.00 74.34 O ATOM 1080 NE2 GLN A 71 7.265 4.514 -5.809 1.00 13.22 N ATOM 0 H GLN A 71 10.753 3.291 -0.998 1.00 5.04 H new ATOM 0 HA GLN A 71 9.236 5.645 -1.391 1.00 64.31 H new ATOM 0 HB2 GLN A 71 9.907 4.040 -3.165 1.00 61.24 H new ATOM 0 HB3 GLN A 71 8.870 2.816 -2.461 1.00 61.24 H new ATOM 0 HG2 GLN A 71 6.877 4.162 -2.951 1.00 75.31 H new ATOM 0 HG3 GLN A 71 7.873 5.476 -3.545 1.00 75.31 H new ATOM 0 HE21 GLN A 71 6.906 5.446 -5.600 1.00 13.22 H new ATOM 0 HE22 GLN A 71 7.217 4.151 -6.761 1.00 13.22 H new ATOM 1089 N THR A 72 7.729 3.183 0.187 1.00 72.52 N ATOM 1090 CA THR A 72 6.592 2.832 1.042 1.00 32.10 C ATOM 1091 C THR A 72 6.458 3.807 2.225 1.00 50.43 C ATOM 1092 O THR A 72 5.411 4.421 2.430 1.00 71.24 O ATOM 1093 CB THR A 72 6.752 1.393 1.592 1.00 43.23 C ATOM 1094 OG1 THR A 72 6.964 0.472 0.511 1.00 21.32 O ATOM 1095 CG2 THR A 72 5.529 0.962 2.388 1.00 54.21 C ATOM 0 H THR A 72 8.431 2.448 0.108 1.00 72.52 H new ATOM 0 HA THR A 72 5.693 2.896 0.429 1.00 32.10 H new ATOM 0 HB THR A 72 7.616 1.388 2.257 1.00 43.23 H new ATOM 0 HG1 THR A 72 7.887 0.549 0.192 1.00 21.32 H new ATOM 0 HG21 THR A 72 5.675 -0.052 2.759 1.00 54.21 H new ATOM 0 HG22 THR A 72 5.386 1.639 3.230 1.00 54.21 H new ATOM 0 HG23 THR A 72 4.649 0.990 1.746 1.00 54.21 H new ATOM 1103 N SER A 73 7.545 3.957 2.978 1.00 4.22 N ATOM 1104 CA SER A 73 7.575 4.810 4.177 1.00 64.54 C ATOM 1105 C SER A 73 7.344 6.290 3.838 1.00 53.15 C ATOM 1106 O SER A 73 6.630 6.999 4.553 1.00 64.42 O ATOM 1107 CB SER A 73 8.917 4.654 4.905 1.00 34.22 C ATOM 1108 OG SER A 73 8.995 5.497 6.047 1.00 23.13 O ATOM 0 H SER A 73 8.432 3.494 2.780 1.00 4.22 H new ATOM 0 HA SER A 73 6.762 4.484 4.825 1.00 64.54 H new ATOM 0 HB2 SER A 73 9.048 3.616 5.209 1.00 34.22 H new ATOM 0 HB3 SER A 73 9.732 4.891 4.221 1.00 34.22 H new ATOM 0 HG SER A 73 8.642 5.023 6.828 1.00 23.13 H new ATOM 1114 N GLN A 74 7.943 6.751 2.740 1.00 13.31 N ATOM 1115 CA GLN A 74 7.799 8.131 2.299 1.00 72.31 C ATOM 1116 C GLN A 74 6.342 8.439 1.909 1.00 50.42 C ATOM 1117 O GLN A 74 5.800 9.487 2.264 1.00 63.53 O ATOM 1118 CB GLN A 74 8.756 8.381 1.125 1.00 14.43 C ATOM 1119 CG GLN A 74 8.385 9.574 0.270 1.00 64.13 C ATOM 1120 CD GLN A 74 9.351 9.819 -0.882 1.00 32.41 C ATOM 1121 OE1 GLN A 74 9.560 10.952 -1.298 1.00 52.23 O ATOM 1122 NE2 GLN A 74 9.937 8.761 -1.413 1.00 50.52 N ATOM 0 H GLN A 74 8.537 6.180 2.138 1.00 13.31 H new ATOM 0 HA GLN A 74 8.056 8.802 3.119 1.00 72.31 H new ATOM 0 HB2 GLN A 74 9.763 8.526 1.516 1.00 14.43 H new ATOM 0 HB3 GLN A 74 8.783 7.491 0.496 1.00 14.43 H new ATOM 0 HG2 GLN A 74 7.383 9.425 -0.132 1.00 64.13 H new ATOM 0 HG3 GLN A 74 8.348 10.464 0.898 1.00 64.13 H new ATOM 0 HE21 GLN A 74 9.742 7.831 -1.043 1.00 50.52 H new ATOM 0 HE22 GLN A 74 10.585 8.874 -2.193 1.00 50.52 H new ATOM 1131 N ALA A 75 5.713 7.512 1.188 1.00 3.15 N ATOM 1132 CA ALA A 75 4.297 7.634 0.826 1.00 72.15 C ATOM 1133 C ALA A 75 3.413 7.715 2.080 1.00 55.52 C ATOM 1134 O ALA A 75 2.538 8.578 2.192 1.00 5.33 O ATOM 1135 CB ALA A 75 3.890 6.453 -0.043 1.00 64.14 C ATOM 0 H ALA A 75 6.162 6.664 0.841 1.00 3.15 H new ATOM 0 HA ALA A 75 4.157 8.557 0.263 1.00 72.15 H new ATOM 0 HB1 ALA A 75 2.838 6.544 -0.312 1.00 64.14 H new ATOM 0 HB2 ALA A 75 4.496 6.442 -0.949 1.00 64.14 H new ATOM 0 HB3 ALA A 75 4.044 5.525 0.508 1.00 64.14 H new ATOM 1141 N VAL A 76 3.659 6.806 3.021 1.00 32.34 N ATOM 1142 CA VAL A 76 2.993 6.838 4.335 1.00 62.24 C ATOM 1143 C VAL A 76 3.137 8.216 5.006 1.00 34.32 C ATOM 1144 O VAL A 76 2.169 8.766 5.539 1.00 62.22 O ATOM 1145 CB VAL A 76 3.566 5.745 5.277 1.00 30.31 C ATOM 1146 CG1 VAL A 76 3.018 5.885 6.700 1.00 23.01 C ATOM 1147 CG2 VAL A 76 3.269 4.356 4.721 1.00 54.34 C ATOM 0 H VAL A 76 4.315 6.034 2.904 1.00 32.34 H new ATOM 0 HA VAL A 76 1.935 6.642 4.160 1.00 62.24 H new ATOM 0 HB VAL A 76 4.646 5.880 5.326 1.00 30.31 H new ATOM 0 HG11 VAL A 76 3.441 5.103 7.331 1.00 23.01 H new ATOM 0 HG12 VAL A 76 3.290 6.862 7.100 1.00 23.01 H new ATOM 0 HG13 VAL A 76 1.932 5.790 6.683 1.00 23.01 H new ATOM 0 HG21 VAL A 76 3.677 3.600 5.392 1.00 54.34 H new ATOM 0 HG22 VAL A 76 2.191 4.221 4.635 1.00 54.34 H new ATOM 0 HG23 VAL A 76 3.727 4.252 3.737 1.00 54.34 H new ATOM 1157 N ASN A 77 4.352 8.766 4.970 1.00 3.51 N ATOM 1158 CA ASN A 77 4.623 10.116 5.488 1.00 25.02 C ATOM 1159 C ASN A 77 3.697 11.150 4.838 1.00 62.20 C ATOM 1160 O ASN A 77 3.048 11.944 5.514 1.00 5.23 O ATOM 1161 CB ASN A 77 6.079 10.497 5.200 1.00 22.42 C ATOM 1162 CG ASN A 77 6.485 11.815 5.838 1.00 54.33 C ATOM 1163 OD1 ASN A 77 5.993 12.189 6.897 1.00 53.31 O ATOM 1164 ND2 ASN A 77 7.388 12.530 5.200 1.00 23.32 N ATOM 0 H ASN A 77 5.172 8.296 4.585 1.00 3.51 H new ATOM 0 HA ASN A 77 4.443 10.110 6.563 1.00 25.02 H new ATOM 0 HB2 ASN A 77 6.735 9.706 5.564 1.00 22.42 H new ATOM 0 HB3 ASN A 77 6.226 10.561 4.122 1.00 22.42 H new ATOM 0 HD21 ASN A 77 7.697 13.422 5.585 1.00 23.32 H new ATOM 0 HD22 ASN A 77 7.778 12.191 4.321 1.00 23.32 H new ATOM 1171 N LEU A 78 3.649 11.115 3.515 1.00 31.13 N ATOM 1172 CA LEU A 78 2.853 12.054 2.721 1.00 61.24 C ATOM 1173 C LEU A 78 1.357 12.004 3.083 1.00 40.53 C ATOM 1174 O LEU A 78 0.681 13.036 3.102 1.00 21.55 O ATOM 1175 CB LEU A 78 3.070 11.743 1.238 1.00 13.21 C ATOM 1176 CG LEU A 78 4.521 11.924 0.762 1.00 23.01 C ATOM 1177 CD1 LEU A 78 4.755 11.217 -0.567 1.00 65.45 C ATOM 1178 CD2 LEU A 78 4.875 13.408 0.657 1.00 31.41 C ATOM 0 H LEU A 78 4.161 10.434 2.955 1.00 31.13 H new ATOM 0 HA LEU A 78 3.184 13.068 2.943 1.00 61.24 H new ATOM 0 HB2 LEU A 78 2.762 10.716 1.045 1.00 13.21 H new ATOM 0 HB3 LEU A 78 2.422 12.387 0.644 1.00 13.21 H new ATOM 0 HG LEU A 78 5.177 11.468 1.504 1.00 23.01 H new ATOM 0 HD11 LEU A 78 5.789 11.362 -0.879 1.00 65.45 H new ATOM 0 HD12 LEU A 78 4.557 10.151 -0.452 1.00 65.45 H new ATOM 0 HD13 LEU A 78 4.087 11.631 -1.322 1.00 65.45 H new ATOM 0 HD21 LEU A 78 5.906 13.513 0.319 1.00 31.41 H new ATOM 0 HD22 LEU A 78 4.208 13.892 -0.056 1.00 31.41 H new ATOM 0 HD23 LEU A 78 4.764 13.879 1.634 1.00 31.41 H new ATOM 1190 N LEU A 79 0.848 10.809 3.381 1.00 44.32 N ATOM 1191 CA LEU A 79 -0.552 10.654 3.793 1.00 75.03 C ATOM 1192 C LEU A 79 -0.805 11.237 5.192 1.00 42.13 C ATOM 1193 O LEU A 79 -1.696 12.068 5.372 1.00 61.51 O ATOM 1194 CB LEU A 79 -0.970 9.178 3.751 1.00 43.41 C ATOM 1195 CG LEU A 79 -1.151 8.595 2.342 1.00 63.10 C ATOM 1196 CD1 LEU A 79 -1.508 7.111 2.406 1.00 54.52 C ATOM 1197 CD2 LEU A 79 -2.213 9.376 1.570 1.00 4.33 C ATOM 0 H LEU A 79 1.378 9.938 3.346 1.00 44.32 H new ATOM 0 HA LEU A 79 -1.161 11.215 3.084 1.00 75.03 H new ATOM 0 HB2 LEU A 79 -0.220 8.588 4.278 1.00 43.41 H new ATOM 0 HB3 LEU A 79 -1.906 9.065 4.298 1.00 43.41 H new ATOM 0 HG LEU A 79 -0.204 8.689 1.811 1.00 63.10 H new ATOM 0 HD11 LEU A 79 -1.631 6.722 1.395 1.00 54.52 H new ATOM 0 HD12 LEU A 79 -0.710 6.566 2.910 1.00 54.52 H new ATOM 0 HD13 LEU A 79 -2.439 6.984 2.959 1.00 54.52 H new ATOM 0 HD21 LEU A 79 -2.327 8.948 0.574 1.00 4.33 H new ATOM 0 HD22 LEU A 79 -3.164 9.319 2.100 1.00 4.33 H new ATOM 0 HD23 LEU A 79 -1.907 10.419 1.484 1.00 4.33 H new ATOM 1209 N ARG A 80 -0.022 10.817 6.185 1.00 43.45 N ATOM 1210 CA ARG A 80 -0.190 11.351 7.544 1.00 44.41 C ATOM 1211 C ARG A 80 0.158 12.847 7.600 1.00 34.44 C ATOM 1212 O ARG A 80 -0.306 13.572 8.482 1.00 12.43 O ATOM 1213 CB ARG A 80 0.620 10.545 8.571 1.00 42.00 C ATOM 1214 CG ARG A 80 2.109 10.424 8.271 1.00 62.31 C ATOM 1215 CD ARG A 80 2.816 9.562 9.312 1.00 61.12 C ATOM 1216 NE ARG A 80 2.238 8.216 9.409 1.00 14.24 N ATOM 1217 CZ ARG A 80 1.517 7.793 10.419 1.00 1.31 C ATOM 1218 NH1 ARG A 80 1.202 8.597 11.386 1.00 24.44 N ATOM 1219 NH2 ARG A 80 1.092 6.568 10.449 1.00 71.11 N ATOM 0 H ARG A 80 0.720 10.125 6.083 1.00 43.45 H new ATOM 0 HA ARG A 80 -1.242 11.247 7.810 1.00 44.41 H new ATOM 0 HB2 ARG A 80 0.499 11.009 9.550 1.00 42.00 H new ATOM 0 HB3 ARG A 80 0.196 9.543 8.639 1.00 42.00 H new ATOM 0 HG2 ARG A 80 2.249 9.990 7.281 1.00 62.31 H new ATOM 0 HG3 ARG A 80 2.560 11.416 8.250 1.00 62.31 H new ATOM 0 HD2 ARG A 80 3.873 9.483 9.058 1.00 61.12 H new ATOM 0 HD3 ARG A 80 2.758 10.051 10.285 1.00 61.12 H new ATOM 0 HE ARG A 80 2.408 7.568 8.640 1.00 14.24 H new ATOM 0 HH11 ARG A 80 1.515 9.567 11.365 1.00 24.44 H new ATOM 0 HH12 ARG A 80 0.641 8.259 12.168 1.00 24.44 H new ATOM 0 HH21 ARG A 80 1.319 5.931 9.685 1.00 71.11 H new ATOM 0 HH22 ARG A 80 0.531 6.242 11.236 1.00 71.11 H new ATOM 1233 N SER A 81 0.964 13.306 6.644 1.00 52.15 N ATOM 1234 CA SER A 81 1.181 14.747 6.440 1.00 54.10 C ATOM 1235 C SER A 81 -0.127 15.438 6.016 1.00 24.02 C ATOM 1236 O SER A 81 -0.408 16.570 6.418 1.00 44.54 O ATOM 1237 CB SER A 81 2.259 14.989 5.374 1.00 44.11 C ATOM 1238 OG SER A 81 2.441 16.377 5.126 1.00 73.01 O ATOM 0 H SER A 81 1.478 12.707 5.998 1.00 52.15 H new ATOM 0 HA SER A 81 1.517 15.171 7.386 1.00 54.10 H new ATOM 0 HB2 SER A 81 3.201 14.550 5.701 1.00 44.11 H new ATOM 0 HB3 SER A 81 1.977 14.486 4.449 1.00 44.11 H new ATOM 0 HG SER A 81 3.134 16.499 4.444 1.00 73.01 H new ATOM 1244 N ALA A 82 -0.929 14.732 5.213 1.00 73.31 N ATOM 1245 CA ALA A 82 -2.234 15.232 4.751 1.00 23.23 C ATOM 1246 C ALA A 82 -3.341 15.033 5.809 1.00 52.42 C ATOM 1247 O ALA A 82 -4.517 15.310 5.558 1.00 32.24 O ATOM 1248 CB ALA A 82 -2.621 14.543 3.442 1.00 40.40 C ATOM 0 H ALA A 82 -0.696 13.802 4.865 1.00 73.31 H new ATOM 0 HA ALA A 82 -2.137 16.305 4.584 1.00 23.23 H new ATOM 0 HB1 ALA A 82 -3.588 14.918 3.106 1.00 40.40 H new ATOM 0 HB2 ALA A 82 -1.867 14.753 2.684 1.00 40.40 H new ATOM 0 HB3 ALA A 82 -2.685 13.467 3.602 1.00 40.40 H new ATOM 1254 N GLY A 83 -2.963 14.543 6.992 1.00 45.02 N ATOM 1255 CA GLY A 83 -3.924 14.386 8.084 1.00 24.11 C ATOM 1256 C GLY A 83 -4.301 12.937 8.377 1.00 3.52 C ATOM 1257 O GLY A 83 -4.803 12.631 9.460 1.00 51.43 O ATOM 0 H GLY A 83 -2.011 14.252 7.216 1.00 45.02 H new ATOM 0 HA2 GLY A 83 -3.508 14.832 8.987 1.00 24.11 H new ATOM 0 HA3 GLY A 83 -4.828 14.944 7.841 1.00 24.11 H new ATOM 1261 N PHE A 84 -4.077 12.042 7.416 1.00 13.13 N ATOM 1262 CA PHE A 84 -4.458 10.631 7.570 1.00 51.53 C ATOM 1263 C PHE A 84 -3.851 9.997 8.835 1.00 13.14 C ATOM 1264 O PHE A 84 -2.633 9.953 9.010 1.00 71.14 O ATOM 1265 CB PHE A 84 -4.060 9.825 6.328 1.00 13.22 C ATOM 1266 CG PHE A 84 -4.815 10.214 5.079 1.00 22.14 C ATOM 1267 CD1 PHE A 84 -6.017 9.599 4.753 1.00 34.32 C ATOM 1268 CD2 PHE A 84 -4.321 11.192 4.227 1.00 41.50 C ATOM 1269 CE1 PHE A 84 -6.705 9.955 3.610 1.00 43.14 C ATOM 1270 CE2 PHE A 84 -5.005 11.548 3.084 1.00 55.31 C ATOM 1271 CZ PHE A 84 -6.199 10.930 2.776 1.00 41.31 C ATOM 0 H PHE A 84 -3.635 12.264 6.524 1.00 13.13 H new ATOM 0 HA PHE A 84 -5.542 10.604 7.681 1.00 51.53 H new ATOM 0 HB2 PHE A 84 -2.992 9.953 6.150 1.00 13.22 H new ATOM 0 HB3 PHE A 84 -4.225 8.766 6.526 1.00 13.22 H new ATOM 0 HD1 PHE A 84 -6.418 8.834 5.401 1.00 34.32 H new ATOM 0 HD2 PHE A 84 -3.387 11.681 4.463 1.00 41.50 H new ATOM 0 HE1 PHE A 84 -7.639 9.470 3.369 1.00 43.14 H new ATOM 0 HE2 PHE A 84 -4.606 12.310 2.431 1.00 55.31 H new ATOM 0 HZ PHE A 84 -6.737 11.209 1.882 1.00 41.31 H new ATOM 1281 N GLU A 85 -4.726 9.521 9.717 1.00 52.20 N ATOM 1282 CA GLU A 85 -4.318 8.895 10.979 1.00 54.34 C ATOM 1283 C GLU A 85 -3.867 7.445 10.780 1.00 23.31 C ATOM 1284 O GLU A 85 -2.751 7.068 11.143 1.00 11.54 O ATOM 1285 CB GLU A 85 -5.484 8.934 11.983 1.00 71.14 C ATOM 1286 CG GLU A 85 -5.790 10.326 12.521 1.00 73.25 C ATOM 1287 CD GLU A 85 -6.850 10.302 13.608 1.00 44.24 C ATOM 1288 OE1 GLU A 85 -6.525 9.907 14.746 1.00 72.33 O ATOM 1289 OE2 GLU A 85 -8.014 10.659 13.328 1.00 32.35 O ATOM 0 H GLU A 85 -5.736 9.556 9.581 1.00 52.20 H new ATOM 0 HA GLU A 85 -3.470 9.461 11.366 1.00 54.34 H new ATOM 0 HB2 GLU A 85 -6.378 8.537 11.502 1.00 71.14 H new ATOM 0 HB3 GLU A 85 -5.252 8.275 12.820 1.00 71.14 H new ATOM 0 HG2 GLU A 85 -4.876 10.769 12.917 1.00 73.25 H new ATOM 0 HG3 GLU A 85 -6.125 10.964 11.703 1.00 73.25 H new ATOM 1296 N HIS A 86 -4.742 6.627 10.206 1.00 75.30 N ATOM 1297 CA HIS A 86 -4.472 5.192 10.083 1.00 44.53 C ATOM 1298 C HIS A 86 -3.708 4.875 8.790 1.00 43.33 C ATOM 1299 O HIS A 86 -4.302 4.498 7.785 1.00 70.11 O ATOM 1300 CB HIS A 86 -5.782 4.391 10.135 1.00 62.42 C ATOM 1301 CG HIS A 86 -6.627 4.667 11.345 1.00 72.23 C ATOM 1302 ND1 HIS A 86 -7.828 4.037 11.581 1.00 75.52 N ATOM 1303 CD2 HIS A 86 -6.452 5.522 12.383 1.00 42.24 C ATOM 1304 CE1 HIS A 86 -8.350 4.492 12.702 1.00 54.44 C ATOM 1305 NE2 HIS A 86 -7.536 5.390 13.209 1.00 42.23 N ATOM 0 H HIS A 86 -5.638 6.925 9.820 1.00 75.30 H new ATOM 0 HA HIS A 86 -3.845 4.900 10.925 1.00 44.53 H new ATOM 0 HB2 HIS A 86 -6.365 4.612 9.241 1.00 62.42 H new ATOM 0 HB3 HIS A 86 -5.545 3.327 10.106 1.00 62.42 H new ATOM 0 HD1 HIS A 86 -8.249 3.328 10.981 1.00 75.52 H new ATOM 0 HD2 HIS A 86 -5.612 6.185 12.531 1.00 42.24 H new ATOM 0 HE1 HIS A 86 -9.290 4.179 13.132 1.00 54.44 H new ATOM 1314 N VAL A 87 -2.388 5.048 8.814 1.00 53.03 N ATOM 1315 CA VAL A 87 -1.550 4.749 7.645 1.00 41.32 C ATOM 1316 C VAL A 87 -0.321 3.922 8.044 1.00 30.43 C ATOM 1317 O VAL A 87 0.506 4.368 8.849 1.00 44.54 O ATOM 1318 CB VAL A 87 -1.080 6.038 6.923 1.00 64.45 C ATOM 1319 CG1 VAL A 87 -0.356 5.692 5.623 1.00 1.33 C ATOM 1320 CG2 VAL A 87 -2.254 6.973 6.651 1.00 73.05 C ATOM 0 H VAL A 87 -1.873 5.392 9.625 1.00 53.03 H new ATOM 0 HA VAL A 87 -2.171 4.173 6.959 1.00 41.32 H new ATOM 0 HB VAL A 87 -0.382 6.557 7.580 1.00 64.45 H new ATOM 0 HG11 VAL A 87 -0.034 6.610 5.131 1.00 1.33 H new ATOM 0 HG12 VAL A 87 0.514 5.074 5.845 1.00 1.33 H new ATOM 0 HG13 VAL A 87 -1.031 5.145 4.965 1.00 1.33 H new ATOM 0 HG21 VAL A 87 -1.896 7.869 6.144 1.00 73.05 H new ATOM 0 HG22 VAL A 87 -2.984 6.466 6.020 1.00 73.05 H new ATOM 0 HG23 VAL A 87 -2.722 7.253 7.595 1.00 73.05 H new ATOM 1330 N SER A 88 -0.204 2.726 7.470 1.00 42.15 N ATOM 1331 CA SER A 88 0.882 1.791 7.808 1.00 10.20 C ATOM 1332 C SER A 88 1.744 1.447 6.587 1.00 70.01 C ATOM 1333 O SER A 88 1.234 1.309 5.472 1.00 21.34 O ATOM 1334 CB SER A 88 0.304 0.496 8.397 1.00 33.32 C ATOM 1335 OG SER A 88 1.329 -0.433 8.720 1.00 1.13 O ATOM 0 H SER A 88 -0.850 2.374 6.763 1.00 42.15 H new ATOM 0 HA SER A 88 1.515 2.287 8.544 1.00 10.20 H new ATOM 0 HB2 SER A 88 -0.273 0.728 9.292 1.00 33.32 H new ATOM 0 HB3 SER A 88 -0.384 0.046 7.682 1.00 33.32 H new ATOM 0 HG SER A 88 1.461 -0.451 9.691 1.00 1.13 H new ATOM 1341 N GLU A 89 3.052 1.313 6.807 1.00 11.02 N ATOM 1342 CA GLU A 89 3.983 0.911 5.749 1.00 35.45 C ATOM 1343 C GLU A 89 4.106 -0.618 5.675 1.00 14.22 C ATOM 1344 O GLU A 89 4.441 -1.280 6.664 1.00 55.53 O ATOM 1345 CB GLU A 89 5.374 1.545 5.970 1.00 64.11 C ATOM 1346 CG GLU A 89 6.012 1.210 7.317 1.00 53.20 C ATOM 1347 CD GLU A 89 7.426 1.758 7.471 1.00 13.40 C ATOM 1348 OE1 GLU A 89 7.589 2.997 7.533 1.00 12.11 O ATOM 1349 OE2 GLU A 89 8.381 0.955 7.561 1.00 60.41 O ATOM 0 H GLU A 89 3.493 1.477 7.712 1.00 11.02 H new ATOM 0 HA GLU A 89 3.582 1.272 4.802 1.00 35.45 H new ATOM 0 HB2 GLU A 89 6.041 1.215 5.173 1.00 64.11 H new ATOM 0 HB3 GLU A 89 5.285 2.628 5.883 1.00 64.11 H new ATOM 0 HG2 GLU A 89 5.387 1.609 8.116 1.00 53.20 H new ATOM 0 HG3 GLU A 89 6.035 0.127 7.441 1.00 53.20 H new ATOM 1356 N LEU A 90 3.811 -1.179 4.505 1.00 4.14 N ATOM 1357 CA LEU A 90 3.977 -2.615 4.283 1.00 50.11 C ATOM 1358 C LEU A 90 5.467 -2.954 4.121 1.00 41.14 C ATOM 1359 O LEU A 90 6.015 -2.928 3.011 1.00 4.53 O ATOM 1360 CB LEU A 90 3.177 -3.071 3.050 1.00 24.30 C ATOM 1361 CG LEU A 90 3.063 -4.594 2.872 1.00 20.33 C ATOM 1362 CD1 LEU A 90 2.302 -5.220 4.040 1.00 72.23 C ATOM 1363 CD2 LEU A 90 2.389 -4.932 1.545 1.00 13.34 C ATOM 0 H LEU A 90 3.457 -0.665 3.698 1.00 4.14 H new ATOM 0 HA LEU A 90 3.590 -3.149 5.151 1.00 50.11 H new ATOM 0 HB2 LEU A 90 2.173 -2.652 3.113 1.00 24.30 H new ATOM 0 HB3 LEU A 90 3.642 -2.651 2.159 1.00 24.30 H new ATOM 0 HG LEU A 90 4.070 -5.012 2.860 1.00 20.33 H new ATOM 0 HD11 LEU A 90 2.233 -6.298 3.893 1.00 72.23 H new ATOM 0 HD12 LEU A 90 2.830 -5.013 4.971 1.00 72.23 H new ATOM 0 HD13 LEU A 90 1.299 -4.796 4.090 1.00 72.23 H new ATOM 0 HD21 LEU A 90 2.318 -6.014 1.438 1.00 13.34 H new ATOM 0 HD22 LEU A 90 1.389 -4.499 1.524 1.00 13.34 H new ATOM 0 HD23 LEU A 90 2.978 -4.524 0.723 1.00 13.34 H new ATOM 1375 N LYS A 91 6.121 -3.244 5.242 1.00 0.12 N ATOM 1376 CA LYS A 91 7.568 -3.457 5.260 1.00 1.53 C ATOM 1377 C LYS A 91 7.996 -4.624 4.358 1.00 13.31 C ATOM 1378 O LYS A 91 7.505 -5.746 4.488 1.00 15.41 O ATOM 1379 CB LYS A 91 8.063 -3.672 6.699 1.00 33.34 C ATOM 1380 CG LYS A 91 7.851 -2.456 7.607 1.00 1.15 C ATOM 1381 CD LYS A 91 8.935 -2.327 8.675 1.00 0.02 C ATOM 1382 CE LYS A 91 10.312 -2.077 8.061 1.00 61.05 C ATOM 1383 NZ LYS A 91 10.298 -0.946 7.091 1.00 12.14 N ATOM 0 H LYS A 91 5.672 -3.337 6.153 1.00 0.12 H new ATOM 0 HA LYS A 91 8.032 -2.556 4.858 1.00 1.53 H new ATOM 0 HB2 LYS A 91 7.546 -4.530 7.128 1.00 33.34 H new ATOM 0 HB3 LYS A 91 9.125 -3.918 6.677 1.00 33.34 H new ATOM 0 HG2 LYS A 91 7.835 -1.551 6.999 1.00 1.15 H new ATOM 0 HG3 LYS A 91 6.877 -2.533 8.090 1.00 1.15 H new ATOM 0 HD2 LYS A 91 8.684 -1.509 9.350 1.00 0.02 H new ATOM 0 HD3 LYS A 91 8.964 -3.237 9.274 1.00 0.02 H new ATOM 0 HE2 LYS A 91 11.029 -1.864 8.854 1.00 61.05 H new ATOM 0 HE3 LYS A 91 10.653 -2.981 7.557 1.00 61.05 H new ATOM 0 HZ1 LYS A 91 11.224 -0.472 7.097 1.00 12.14 H new ATOM 0 HZ2 LYS A 91 10.101 -1.310 6.137 1.00 12.14 H new ATOM 0 HZ3 LYS A 91 9.559 -0.266 7.361 1.00 12.14 H new ATOM 1397 N GLY A 92 8.920 -4.340 3.441 1.00 25.42 N ATOM 1398 CA GLY A 92 9.364 -5.335 2.471 1.00 62.14 C ATOM 1399 C GLY A 92 8.856 -5.056 1.058 1.00 25.42 C ATOM 1400 O GLY A 92 9.462 -5.493 0.076 1.00 51.42 O ATOM 0 H GLY A 92 9.374 -3.431 3.351 1.00 25.42 H new ATOM 0 HA2 GLY A 92 10.454 -5.364 2.461 1.00 62.14 H new ATOM 0 HA3 GLY A 92 9.022 -6.321 2.787 1.00 62.14 H new ATOM 1404 N GLY A 93 7.738 -4.336 0.952 1.00 2.44 N ATOM 1405 CA GLY A 93 7.177 -3.996 -0.355 1.00 22.21 C ATOM 1406 C GLY A 93 6.465 -5.165 -1.038 1.00 22.41 C ATOM 1407 O GLY A 93 6.219 -6.208 -0.421 1.00 30.10 O ATOM 0 H GLY A 93 7.208 -3.980 1.748 1.00 2.44 H new ATOM 0 HA2 GLY A 93 6.473 -3.172 -0.236 1.00 22.21 H new ATOM 0 HA3 GLY A 93 7.978 -3.640 -1.003 1.00 22.21 H new ATOM 1411 N LEU A 94 6.144 -4.998 -2.322 1.00 35.12 N ATOM 1412 CA LEU A 94 5.430 -6.032 -3.086 1.00 41.42 C ATOM 1413 C LEU A 94 6.241 -7.335 -3.186 1.00 52.13 C ATOM 1414 O LEU A 94 5.696 -8.428 -3.034 1.00 33.23 O ATOM 1415 CB LEU A 94 5.097 -5.527 -4.496 1.00 60.35 C ATOM 1416 CG LEU A 94 4.328 -6.527 -5.379 1.00 2.42 C ATOM 1417 CD1 LEU A 94 2.945 -6.819 -4.800 1.00 32.30 C ATOM 1418 CD2 LEU A 94 4.223 -6.018 -6.811 1.00 23.45 C ATOM 0 H LEU A 94 6.365 -4.159 -2.858 1.00 35.12 H new ATOM 0 HA LEU A 94 4.507 -6.247 -2.547 1.00 41.42 H new ATOM 0 HB2 LEU A 94 4.508 -4.614 -4.409 1.00 60.35 H new ATOM 0 HB3 LEU A 94 6.026 -5.260 -4.999 1.00 60.35 H new ATOM 0 HG LEU A 94 4.888 -7.462 -5.394 1.00 2.42 H new ATOM 0 HD11 LEU A 94 2.424 -7.528 -5.443 1.00 32.30 H new ATOM 0 HD12 LEU A 94 3.051 -7.244 -3.802 1.00 32.30 H new ATOM 0 HD13 LEU A 94 2.372 -5.893 -4.741 1.00 32.30 H new ATOM 0 HD21 LEU A 94 3.676 -6.742 -7.415 1.00 23.45 H new ATOM 0 HD22 LEU A 94 3.695 -5.064 -6.820 1.00 23.45 H new ATOM 0 HD23 LEU A 94 5.223 -5.883 -7.224 1.00 23.45 H new ATOM 1430 N ALA A 95 7.537 -7.211 -3.458 1.00 5.44 N ATOM 1431 CA ALA A 95 8.440 -8.366 -3.525 1.00 3.21 C ATOM 1432 C ALA A 95 8.353 -9.247 -2.267 1.00 74.13 C ATOM 1433 O ALA A 95 8.499 -10.465 -2.349 1.00 52.03 O ATOM 1434 CB ALA A 95 9.874 -7.896 -3.743 1.00 5.40 C ATOM 0 H ALA A 95 7.992 -6.316 -3.638 1.00 5.44 H new ATOM 0 HA ALA A 95 8.125 -8.979 -4.370 1.00 3.21 H new ATOM 0 HB1 ALA A 95 10.537 -8.760 -3.791 1.00 5.40 H new ATOM 0 HB2 ALA A 95 9.936 -7.338 -4.677 1.00 5.40 H new ATOM 0 HB3 ALA A 95 10.176 -7.253 -2.916 1.00 5.40 H new ATOM 1440 N ALA A 96 8.121 -8.633 -1.105 1.00 31.21 N ATOM 1441 CA ALA A 96 7.914 -9.388 0.139 1.00 71.12 C ATOM 1442 C ALA A 96 6.547 -10.089 0.131 1.00 52.53 C ATOM 1443 O ALA A 96 6.448 -11.287 0.398 1.00 42.40 O ATOM 1444 CB ALA A 96 8.034 -8.469 1.347 1.00 35.12 C ATOM 0 H ALA A 96 8.071 -7.620 -0.996 1.00 31.21 H new ATOM 0 HA ALA A 96 8.689 -10.152 0.206 1.00 71.12 H new ATOM 0 HB1 ALA A 96 7.878 -9.045 2.259 1.00 35.12 H new ATOM 0 HB2 ALA A 96 9.028 -8.021 1.366 1.00 35.12 H new ATOM 0 HB3 ALA A 96 7.283 -7.682 1.282 1.00 35.12 H new ATOM 1450 N TRP A 97 5.500 -9.329 -0.195 1.00 54.11 N ATOM 1451 CA TRP A 97 4.142 -9.874 -0.348 1.00 70.41 C ATOM 1452 C TRP A 97 4.141 -11.107 -1.269 1.00 4.31 C ATOM 1453 O TRP A 97 3.480 -12.108 -0.999 1.00 4.43 O ATOM 1454 CB TRP A 97 3.223 -8.794 -0.929 1.00 53.43 C ATOM 1455 CG TRP A 97 1.789 -9.223 -1.074 1.00 34.23 C ATOM 1456 CD1 TRP A 97 1.206 -9.819 -2.159 1.00 34.41 C ATOM 1457 CD2 TRP A 97 0.755 -9.080 -0.097 1.00 11.32 C ATOM 1458 NE1 TRP A 97 -0.125 -10.053 -1.909 1.00 53.45 N ATOM 1459 CE2 TRP A 97 -0.426 -9.606 -0.651 1.00 12.54 C ATOM 1460 CE3 TRP A 97 0.718 -8.554 1.193 1.00 44.31 C ATOM 1461 CZ2 TRP A 97 -1.632 -9.624 0.043 1.00 63.31 C ATOM 1462 CZ3 TRP A 97 -0.477 -8.570 1.882 1.00 51.25 C ATOM 1463 CH2 TRP A 97 -1.639 -9.100 1.305 1.00 53.44 C ATOM 0 H TRP A 97 5.564 -8.325 -0.360 1.00 54.11 H new ATOM 0 HA TRP A 97 3.780 -10.182 0.633 1.00 70.41 H new ATOM 0 HB2 TRP A 97 3.265 -7.913 -0.288 1.00 53.43 H new ATOM 0 HB3 TRP A 97 3.603 -8.496 -1.906 1.00 53.43 H new ATOM 0 HD1 TRP A 97 1.717 -10.069 -3.077 1.00 34.41 H new ATOM 0 HE1 TRP A 97 -0.782 -10.489 -2.556 1.00 53.45 H new ATOM 0 HE3 TRP A 97 1.608 -8.142 1.645 1.00 44.31 H new ATOM 0 HZ2 TRP A 97 -2.527 -10.036 -0.399 1.00 63.31 H new ATOM 0 HZ3 TRP A 97 -0.518 -8.167 2.883 1.00 51.25 H new ATOM 0 HH2 TRP A 97 -2.560 -9.094 1.870 1.00 53.44 H new ATOM 1474 N LYS A 98 4.890 -11.015 -2.358 1.00 74.51 N ATOM 1475 CA LYS A 98 5.006 -12.107 -3.323 1.00 24.42 C ATOM 1476 C LYS A 98 5.962 -13.210 -2.831 1.00 35.53 C ATOM 1477 O LYS A 98 5.736 -14.393 -3.080 1.00 12.20 O ATOM 1478 CB LYS A 98 5.466 -11.534 -4.672 1.00 2.34 C ATOM 1479 CG LYS A 98 4.384 -10.707 -5.369 1.00 31.13 C ATOM 1480 CD LYS A 98 4.920 -9.872 -6.533 1.00 43.22 C ATOM 1481 CE LYS A 98 5.797 -10.679 -7.480 1.00 22.30 C ATOM 1482 NZ LYS A 98 5.965 -9.999 -8.791 1.00 14.20 N ATOM 0 H LYS A 98 5.434 -10.187 -2.600 1.00 74.51 H new ATOM 0 HA LYS A 98 4.029 -12.576 -3.441 1.00 24.42 H new ATOM 0 HB2 LYS A 98 6.347 -10.912 -4.515 1.00 2.34 H new ATOM 0 HB3 LYS A 98 5.767 -12.353 -5.325 1.00 2.34 H new ATOM 0 HG2 LYS A 98 3.606 -11.375 -5.738 1.00 31.13 H new ATOM 0 HG3 LYS A 98 3.916 -10.045 -4.640 1.00 31.13 H new ATOM 0 HD2 LYS A 98 4.082 -9.452 -7.089 1.00 43.22 H new ATOM 0 HD3 LYS A 98 5.494 -9.033 -6.139 1.00 43.22 H new ATOM 0 HE2 LYS A 98 6.775 -10.837 -7.024 1.00 22.30 H new ATOM 0 HE3 LYS A 98 5.355 -11.663 -7.635 1.00 22.30 H new ATOM 0 HZ1 LYS A 98 6.648 -10.527 -9.371 1.00 14.20 H new ATOM 0 HZ2 LYS A 98 5.049 -9.962 -9.283 1.00 14.20 H new ATOM 0 HZ3 LYS A 98 6.315 -9.032 -8.638 1.00 14.20 H new ATOM 1496 N ALA A 99 7.019 -12.822 -2.115 1.00 61.04 N ATOM 1497 CA ALA A 99 7.985 -13.788 -1.570 1.00 32.33 C ATOM 1498 C ALA A 99 7.354 -14.687 -0.495 1.00 53.43 C ATOM 1499 O ALA A 99 7.782 -15.821 -0.292 1.00 13.01 O ATOM 1500 CB ALA A 99 9.196 -13.060 -0.999 1.00 11.24 C ATOM 0 H ALA A 99 7.231 -11.848 -1.897 1.00 61.04 H new ATOM 0 HA ALA A 99 8.303 -14.430 -2.392 1.00 32.33 H new ATOM 0 HB1 ALA A 99 9.903 -13.787 -0.599 1.00 11.24 H new ATOM 0 HB2 ALA A 99 9.678 -12.481 -1.787 1.00 11.24 H new ATOM 0 HB3 ALA A 99 8.875 -12.390 -0.202 1.00 11.24 H new ATOM 1506 N ILE A 100 6.348 -14.165 0.201 1.00 32.31 N ATOM 1507 CA ILE A 100 5.613 -14.937 1.215 1.00 13.01 C ATOM 1508 C ILE A 100 4.414 -15.680 0.588 1.00 74.04 C ATOM 1509 O ILE A 100 3.612 -16.302 1.291 1.00 2.22 O ATOM 1510 CB ILE A 100 5.091 -14.012 2.345 1.00 23.24 C ATOM 1511 CG1 ILE A 100 4.012 -13.075 1.779 1.00 22.53 C ATOM 1512 CG2 ILE A 100 6.238 -13.212 2.966 1.00 32.44 C ATOM 1513 CD1 ILE A 100 3.391 -12.152 2.792 1.00 1.34 C ATOM 0 H ILE A 100 6.017 -13.207 0.085 1.00 32.31 H new ATOM 0 HA ILE A 100 6.310 -15.664 1.632 1.00 13.01 H new ATOM 0 HB ILE A 100 4.653 -14.624 3.134 1.00 23.24 H new ATOM 0 HG12 ILE A 100 4.452 -12.476 0.982 1.00 22.53 H new ATOM 0 HG13 ILE A 100 3.225 -13.679 1.327 1.00 22.53 H new ATOM 0 HG21 ILE A 100 5.848 -12.570 3.756 1.00 32.44 H new ATOM 0 HG22 ILE A 100 6.974 -13.897 3.386 1.00 32.44 H new ATOM 0 HG23 ILE A 100 6.710 -12.598 2.199 1.00 32.44 H new ATOM 0 HD11 ILE A 100 2.642 -11.528 2.305 1.00 1.34 H new ATOM 0 HD12 ILE A 100 2.918 -12.740 3.578 1.00 1.34 H new ATOM 0 HD13 ILE A 100 4.163 -11.518 3.228 1.00 1.34 H new ATOM 1525 N GLY A 101 4.290 -15.593 -0.737 1.00 62.11 N ATOM 1526 CA GLY A 101 3.195 -16.249 -1.444 1.00 5.12 C ATOM 1527 C GLY A 101 1.835 -15.584 -1.226 1.00 42.01 C ATOM 1528 O GLY A 101 0.837 -16.263 -0.982 1.00 53.12 O ATOM 0 H GLY A 101 4.932 -15.077 -1.338 1.00 62.11 H new ATOM 0 HA2 GLY A 101 3.418 -16.259 -2.511 1.00 5.12 H new ATOM 0 HA3 GLY A 101 3.137 -17.288 -1.121 1.00 5.12 H new ATOM 1532 N GLY A 102 1.798 -14.254 -1.290 1.00 73.12 N ATOM 1533 CA GLY A 102 0.546 -13.517 -1.126 1.00 64.24 C ATOM 1534 C GLY A 102 -0.264 -13.389 -2.418 1.00 62.12 C ATOM 1535 O GLY A 102 0.302 -13.395 -3.511 1.00 44.11 O ATOM 0 H GLY A 102 2.616 -13.667 -1.453 1.00 73.12 H new ATOM 0 HA2 GLY A 102 -0.064 -14.016 -0.373 1.00 64.24 H new ATOM 0 HA3 GLY A 102 0.768 -12.520 -0.746 1.00 64.24 H new ATOM 1539 N PRO A 103 -1.605 -13.264 -2.321 1.00 23.24 N ATOM 1540 CA PRO A 103 -2.483 -13.116 -3.500 1.00 32.22 C ATOM 1541 C PRO A 103 -2.213 -11.818 -4.283 1.00 53.31 C ATOM 1542 O PRO A 103 -2.300 -10.717 -3.730 1.00 50.14 O ATOM 1543 CB PRO A 103 -3.902 -13.096 -2.895 1.00 41.33 C ATOM 1544 CG PRO A 103 -3.753 -13.648 -1.514 1.00 22.41 C ATOM 1545 CD PRO A 103 -2.372 -13.264 -1.063 1.00 74.52 C ATOM 0 HA PRO A 103 -2.324 -13.917 -4.222 1.00 32.22 H new ATOM 0 HB2 PRO A 103 -4.305 -12.083 -2.872 1.00 41.33 H new ATOM 0 HB3 PRO A 103 -4.590 -13.699 -3.487 1.00 41.33 H new ATOM 0 HG2 PRO A 103 -4.510 -13.238 -0.846 1.00 22.41 H new ATOM 0 HG3 PRO A 103 -3.878 -14.731 -1.511 1.00 22.41 H new ATOM 0 HD2 PRO A 103 -2.361 -12.286 -0.583 1.00 74.52 H new ATOM 0 HD3 PRO A 103 -1.969 -13.977 -0.344 1.00 74.52 H new ATOM 1553 N THR A 104 -1.885 -11.944 -5.571 1.00 24.03 N ATOM 1554 CA THR A 104 -1.569 -10.775 -6.408 1.00 3.21 C ATOM 1555 C THR A 104 -2.389 -10.732 -7.705 1.00 53.32 C ATOM 1556 O THR A 104 -3.016 -11.713 -8.108 1.00 14.21 O ATOM 1557 CB THR A 104 -0.071 -10.739 -6.794 1.00 2.00 C ATOM 1558 OG1 THR A 104 0.278 -11.915 -7.539 1.00 11.14 O ATOM 1559 CG2 THR A 104 0.817 -10.633 -5.558 1.00 54.22 C ATOM 0 H THR A 104 -1.830 -12.838 -6.059 1.00 24.03 H new ATOM 0 HA THR A 104 -1.824 -9.910 -5.796 1.00 3.21 H new ATOM 0 HB THR A 104 0.092 -9.856 -7.411 1.00 2.00 H new ATOM 0 HG1 THR A 104 0.995 -11.701 -8.172 1.00 11.14 H new ATOM 0 HG21 THR A 104 1.863 -10.610 -5.863 1.00 54.22 H new ATOM 0 HG22 THR A 104 0.577 -9.719 -5.015 1.00 54.22 H new ATOM 0 HG23 THR A 104 0.646 -11.494 -4.912 1.00 54.22 H new ATOM 1567 N GLU A 105 -2.367 -9.567 -8.344 1.00 43.11 N ATOM 1568 CA GLU A 105 -3.005 -9.338 -9.645 1.00 64.21 C ATOM 1569 C GLU A 105 -2.082 -8.522 -10.550 1.00 23.43 C ATOM 1570 O GLU A 105 -1.032 -8.047 -10.124 1.00 24.32 O ATOM 1571 CB GLU A 105 -4.328 -8.576 -9.490 1.00 3.43 C ATOM 1572 CG GLU A 105 -5.443 -9.370 -8.833 1.00 20.45 C ATOM 1573 CD GLU A 105 -6.736 -8.575 -8.740 1.00 24.52 C ATOM 1574 OE1 GLU A 105 -7.537 -8.624 -9.699 1.00 54.31 O ATOM 1575 OE2 GLU A 105 -6.943 -7.876 -7.725 1.00 72.32 O ATOM 0 H GLU A 105 -1.900 -8.740 -7.971 1.00 43.11 H new ATOM 0 HA GLU A 105 -3.202 -10.315 -10.087 1.00 64.21 H new ATOM 0 HB2 GLU A 105 -4.147 -7.676 -8.903 1.00 3.43 H new ATOM 0 HB3 GLU A 105 -4.663 -8.252 -10.475 1.00 3.43 H new ATOM 0 HG2 GLU A 105 -5.620 -10.283 -9.401 1.00 20.45 H new ATOM 0 HG3 GLU A 105 -5.131 -9.672 -7.833 1.00 20.45 H new ATOM 1582 N GLY A 106 -2.490 -8.341 -11.794 1.00 22.52 N ATOM 1583 CA GLY A 106 -1.713 -7.522 -12.721 1.00 34.44 C ATOM 1584 C GLY A 106 -1.709 -8.054 -14.145 1.00 32.22 C ATOM 1585 O GLY A 106 -2.354 -9.056 -14.446 1.00 51.52 O ATOM 0 H GLY A 106 -3.342 -8.742 -12.186 1.00 22.52 H new ATOM 0 HA2 GLY A 106 -2.114 -6.509 -12.722 1.00 34.44 H new ATOM 0 HA3 GLY A 106 -0.686 -7.458 -12.363 1.00 34.44 H new ATOM 1589 N ILE A 107 -0.985 -7.367 -15.023 1.00 12.11 N ATOM 1590 CA ILE A 107 -0.849 -7.785 -16.418 1.00 42.10 C ATOM 1591 C ILE A 107 0.409 -8.641 -16.607 1.00 51.13 C ATOM 1592 O ILE A 107 0.349 -9.737 -17.167 1.00 24.30 O ATOM 1593 CB ILE A 107 -0.790 -6.560 -17.370 1.00 23.15 C ATOM 1594 CG1 ILE A 107 -2.029 -5.665 -17.168 1.00 72.33 C ATOM 1595 CG2 ILE A 107 -0.679 -7.010 -18.828 1.00 45.40 C ATOM 1596 CD1 ILE A 107 -2.052 -4.431 -18.051 1.00 32.51 C ATOM 0 H ILE A 107 -0.479 -6.512 -14.793 1.00 12.11 H new ATOM 0 HA ILE A 107 -1.728 -8.378 -16.668 1.00 42.10 H new ATOM 0 HB ILE A 107 0.100 -5.979 -17.128 1.00 23.15 H new ATOM 0 HG12 ILE A 107 -2.925 -6.254 -17.362 1.00 72.33 H new ATOM 0 HG13 ILE A 107 -2.072 -5.353 -16.125 1.00 72.33 H new ATOM 0 HG21 ILE A 107 -0.639 -6.135 -19.477 1.00 45.40 H new ATOM 0 HG22 ILE A 107 0.228 -7.600 -18.959 1.00 45.40 H new ATOM 0 HG23 ILE A 107 -1.547 -7.616 -19.089 1.00 45.40 H new ATOM 0 HD11 ILE A 107 -2.955 -3.855 -17.848 1.00 32.51 H new ATOM 0 HD12 ILE A 107 -1.176 -3.817 -17.842 1.00 32.51 H new ATOM 0 HD13 ILE A 107 -2.042 -4.733 -19.098 1.00 32.51 H new ATOM 1608 N ILE A 108 1.552 -8.146 -16.126 1.00 40.04 N ATOM 1609 CA ILE A 108 2.807 -8.906 -16.219 1.00 71.24 C ATOM 1610 C ILE A 108 2.816 -10.112 -15.265 1.00 24.03 C ATOM 1611 O ILE A 108 3.455 -11.132 -15.529 1.00 42.31 O ATOM 1612 CB ILE A 108 4.046 -8.002 -15.977 1.00 64.21 C ATOM 1613 CG1 ILE A 108 4.375 -7.187 -17.244 1.00 21.50 C ATOM 1614 CG2 ILE A 108 5.250 -8.830 -15.539 1.00 14.43 C ATOM 1615 CD1 ILE A 108 3.269 -6.248 -17.689 1.00 23.13 C ATOM 0 H ILE A 108 1.638 -7.236 -15.674 1.00 40.04 H new ATOM 0 HA ILE A 108 2.868 -9.288 -17.238 1.00 71.24 H new ATOM 0 HB ILE A 108 3.807 -7.307 -15.172 1.00 64.21 H new ATOM 0 HG12 ILE A 108 5.278 -6.605 -17.063 1.00 21.50 H new ATOM 0 HG13 ILE A 108 4.599 -7.877 -18.058 1.00 21.50 H new ATOM 0 HG21 ILE A 108 6.104 -8.172 -15.376 1.00 14.43 H new ATOM 0 HG22 ILE A 108 5.014 -9.354 -14.613 1.00 14.43 H new ATOM 0 HG23 ILE A 108 5.494 -9.556 -16.315 1.00 14.43 H new ATOM 0 HD11 ILE A 108 3.584 -5.715 -18.586 1.00 23.13 H new ATOM 0 HD12 ILE A 108 2.369 -6.823 -17.906 1.00 23.13 H new ATOM 0 HD13 ILE A 108 3.059 -5.531 -16.895 1.00 23.13 H new ATOM 1627 N GLU A 109 2.078 -10.000 -14.174 1.00 55.42 N ATOM 1628 CA GLU A 109 1.868 -11.139 -13.264 1.00 1.32 C ATOM 1629 C GLU A 109 1.241 -12.327 -14.017 1.00 61.55 C ATOM 1630 O GLU A 109 1.253 -13.464 -13.542 1.00 14.45 O ATOM 1631 CB GLU A 109 0.972 -10.733 -12.082 1.00 60.53 C ATOM 1632 CG GLU A 109 1.652 -9.822 -11.062 1.00 14.24 C ATOM 1633 CD GLU A 109 2.758 -10.526 -10.286 1.00 11.41 C ATOM 1634 OE1 GLU A 109 2.438 -11.339 -9.393 1.00 54.50 O ATOM 1635 OE2 GLU A 109 3.948 -10.272 -10.559 1.00 23.15 O ATOM 0 H GLU A 109 1.611 -9.140 -13.888 1.00 55.42 H new ATOM 0 HA GLU A 109 2.840 -11.444 -12.876 1.00 1.32 H new ATOM 0 HB2 GLU A 109 0.087 -10.229 -12.469 1.00 60.53 H new ATOM 0 HB3 GLU A 109 0.629 -11.635 -11.575 1.00 60.53 H new ATOM 0 HG2 GLU A 109 2.070 -8.957 -11.576 1.00 14.24 H new ATOM 0 HG3 GLU A 109 0.905 -9.447 -10.362 1.00 14.24 H new ATOM 1642 N SER A 110 0.681 -12.037 -15.188 1.00 75.34 N ATOM 1643 CA SER A 110 0.128 -13.058 -16.080 1.00 4.24 C ATOM 1644 C SER A 110 1.114 -13.396 -17.208 1.00 53.43 C ATOM 1645 O SER A 110 1.540 -14.541 -17.355 1.00 20.31 O ATOM 1646 CB SER A 110 -1.185 -12.563 -16.693 1.00 42.15 C ATOM 1647 OG SER A 110 -2.166 -12.297 -15.699 1.00 24.54 O ATOM 0 H SER A 110 0.597 -11.086 -15.548 1.00 75.34 H new ATOM 0 HA SER A 110 -0.054 -13.956 -15.490 1.00 4.24 H new ATOM 0 HB2 SER A 110 -0.998 -11.657 -17.270 1.00 42.15 H new ATOM 0 HB3 SER A 110 -1.566 -13.311 -17.388 1.00 42.15 H new ATOM 0 HG SER A 110 -2.989 -11.982 -16.128 1.00 24.54 H new ATOM 1653 N ARG A 111 1.470 -12.387 -18.007 1.00 30.31 N ATOM 1654 CA ARG A 111 2.387 -12.580 -19.139 1.00 3.24 C ATOM 1655 C ARG A 111 3.848 -12.308 -18.742 1.00 2.34 C ATOM 1656 O ARG A 111 4.175 -11.255 -18.201 1.00 35.02 O ATOM 1657 CB ARG A 111 1.984 -11.685 -20.321 1.00 23.23 C ATOM 1658 CG ARG A 111 2.006 -10.191 -20.016 1.00 34.35 C ATOM 1659 CD ARG A 111 1.623 -9.363 -21.235 1.00 31.32 C ATOM 1660 NE ARG A 111 2.506 -9.614 -22.371 1.00 34.34 N ATOM 1661 CZ ARG A 111 2.564 -8.873 -23.444 1.00 31.31 C ATOM 1662 NH1 ARG A 111 1.824 -7.817 -23.571 1.00 40.04 N ATOM 1663 NH2 ARG A 111 3.373 -9.193 -24.396 1.00 41.20 N ATOM 0 H ARG A 111 1.139 -11.429 -17.893 1.00 30.31 H new ATOM 0 HA ARG A 111 2.313 -13.624 -19.443 1.00 3.24 H new ATOM 0 HB2 ARG A 111 2.656 -11.883 -21.156 1.00 23.23 H new ATOM 0 HB3 ARG A 111 0.981 -11.962 -20.646 1.00 23.23 H new ATOM 0 HG2 ARG A 111 1.317 -9.976 -19.199 1.00 34.35 H new ATOM 0 HG3 ARG A 111 3.001 -9.903 -19.678 1.00 34.35 H new ATOM 0 HD2 ARG A 111 0.595 -9.590 -21.518 1.00 31.32 H new ATOM 0 HD3 ARG A 111 1.656 -8.304 -20.978 1.00 31.32 H new ATOM 0 HE ARG A 111 3.121 -10.426 -22.322 1.00 34.34 H new ATOM 0 HH11 ARG A 111 1.181 -7.552 -22.825 1.00 40.04 H new ATOM 0 HH12 ARG A 111 1.884 -7.251 -24.417 1.00 40.04 H new ATOM 0 HH21 ARG A 111 3.962 -10.021 -24.308 1.00 41.20 H new ATOM 0 HH22 ARG A 111 3.423 -8.618 -25.237 1.00 41.20 H new ATOM 1677 N THR A 112 4.724 -13.262 -19.035 1.00 64.45 N ATOM 1678 CA THR A 112 6.146 -13.161 -18.659 1.00 73.40 C ATOM 1679 C THR A 112 7.065 -13.283 -19.883 1.00 11.32 C ATOM 1680 O THR A 112 6.705 -13.933 -20.867 1.00 73.24 O ATOM 1681 CB THR A 112 6.544 -14.253 -17.631 1.00 52.52 C ATOM 1682 OG1 THR A 112 6.441 -15.565 -18.212 1.00 13.31 O ATOM 1683 CG2 THR A 112 5.660 -14.177 -16.390 1.00 60.25 C ATOM 0 H THR A 112 4.483 -14.119 -19.532 1.00 64.45 H new ATOM 0 HA THR A 112 6.273 -12.177 -18.209 1.00 73.40 H new ATOM 0 HB THR A 112 7.579 -14.072 -17.342 1.00 52.52 H new ATOM 0 HG1 THR A 112 6.698 -16.238 -17.548 1.00 13.31 H new ATOM 0 HG21 THR A 112 5.957 -14.952 -15.683 1.00 60.25 H new ATOM 0 HG22 THR A 112 5.771 -13.198 -15.923 1.00 60.25 H new ATOM 0 HG23 THR A 112 4.619 -14.326 -16.675 1.00 60.25 H new ATOM 1691 N PRO A 113 8.264 -12.657 -19.845 1.00 33.43 N ATOM 1692 CA PRO A 113 9.234 -12.732 -20.955 1.00 64.33 C ATOM 1693 C PRO A 113 9.668 -14.176 -21.263 1.00 13.14 C ATOM 1694 O PRO A 113 10.531 -14.742 -20.586 1.00 1.15 O ATOM 1695 CB PRO A 113 10.424 -11.884 -20.463 1.00 43.23 C ATOM 1696 CG PRO A 113 10.254 -11.798 -18.982 1.00 31.44 C ATOM 1697 CD PRO A 113 8.770 -11.823 -18.735 1.00 43.34 C ATOM 0 HA PRO A 113 8.808 -12.369 -21.891 1.00 64.33 H new ATOM 0 HB2 PRO A 113 11.374 -12.349 -20.724 1.00 43.23 H new ATOM 0 HB3 PRO A 113 10.418 -10.894 -20.919 1.00 43.23 H new ATOM 0 HG2 PRO A 113 10.747 -12.632 -18.483 1.00 31.44 H new ATOM 0 HG3 PRO A 113 10.700 -10.884 -18.590 1.00 31.44 H new ATOM 0 HD2 PRO A 113 8.529 -12.255 -17.763 1.00 43.34 H new ATOM 0 HD3 PRO A 113 8.340 -10.821 -18.754 1.00 43.34 H new ATOM 1705 N ALA A 114 9.031 -14.774 -22.267 1.00 13.41 N ATOM 1706 CA ALA A 114 9.344 -16.146 -22.684 1.00 2.33 C ATOM 1707 C ALA A 114 9.047 -16.364 -24.174 1.00 13.21 C ATOM 1708 O ALA A 114 8.270 -15.620 -24.778 1.00 2.04 O ATOM 1709 CB ALA A 114 8.556 -17.139 -21.838 1.00 25.41 C ATOM 0 H ALA A 114 8.291 -14.331 -22.811 1.00 13.41 H new ATOM 0 HA ALA A 114 10.411 -16.309 -22.532 1.00 2.33 H new ATOM 0 HB1 ALA A 114 8.794 -18.155 -22.154 1.00 25.41 H new ATOM 0 HB2 ALA A 114 8.821 -17.014 -20.788 1.00 25.41 H new ATOM 0 HB3 ALA A 114 7.489 -16.960 -21.966 1.00 25.41 H new ATOM 1715 N GLY A 115 9.665 -17.390 -24.757 1.00 11.43 N ATOM 1716 CA GLY A 115 9.463 -17.694 -26.170 1.00 23.03 C ATOM 1717 C GLY A 115 10.373 -16.878 -27.085 1.00 5.10 C ATOM 1718 O GLY A 115 10.014 -15.774 -27.502 1.00 65.12 O ATOM 0 H GLY A 115 10.306 -18.021 -24.275 1.00 11.43 H new ATOM 0 HA2 GLY A 115 9.643 -18.756 -26.338 1.00 23.03 H new ATOM 0 HA3 GLY A 115 8.423 -17.502 -26.434 1.00 23.03 H new ATOM 1722 N ALA A 116 11.556 -17.416 -27.391 1.00 21.53 N ATOM 1723 CA ALA A 116 12.527 -16.714 -28.238 1.00 31.32 C ATOM 1724 C ALA A 116 13.643 -17.643 -28.752 1.00 24.40 C ATOM 1725 O ALA A 116 14.347 -18.280 -27.966 1.00 70.43 O ATOM 1726 CB ALA A 116 13.136 -15.540 -27.475 1.00 71.44 C ATOM 0 H ALA A 116 11.865 -18.332 -27.067 1.00 21.53 H new ATOM 0 HA ALA A 116 11.985 -16.347 -29.110 1.00 31.32 H new ATOM 0 HB1 ALA A 116 13.855 -15.026 -28.112 1.00 71.44 H new ATOM 0 HB2 ALA A 116 12.347 -14.846 -27.185 1.00 71.44 H new ATOM 0 HB3 ALA A 116 13.641 -15.909 -26.582 1.00 71.44 H new ATOM 1732 N ASP A 117 13.779 -17.716 -30.076 1.00 34.15 N ATOM 1733 CA ASP A 117 14.874 -18.448 -30.732 1.00 22.33 C ATOM 1734 C ASP A 117 14.918 -18.095 -32.227 1.00 32.55 C ATOM 1735 O ASP A 117 13.936 -18.293 -32.949 1.00 50.32 O ATOM 1736 CB ASP A 117 14.721 -19.966 -30.552 1.00 35.23 C ATOM 1737 CG ASP A 117 15.907 -20.732 -31.120 1.00 42.31 C ATOM 1738 OD1 ASP A 117 16.971 -20.756 -30.465 1.00 61.23 O ATOM 1739 OD2 ASP A 117 15.787 -21.306 -32.227 1.00 65.12 O ATOM 0 H ASP A 117 13.135 -17.270 -30.729 1.00 34.15 H new ATOM 0 HA ASP A 117 15.810 -18.148 -30.261 1.00 22.33 H new ATOM 0 HB2 ASP A 117 14.615 -20.196 -29.492 1.00 35.23 H new ATOM 0 HB3 ASP A 117 13.806 -20.299 -31.043 1.00 35.23 H new ATOM 1744 N ASP A 118 16.051 -17.570 -32.691 1.00 14.23 N ATOM 1745 CA ASP A 118 16.164 -17.076 -34.070 1.00 15.15 C ATOM 1746 C ASP A 118 17.550 -17.340 -34.682 1.00 53.35 C ATOM 1747 O ASP A 118 18.545 -16.714 -34.300 1.00 72.12 O ATOM 1748 CB ASP A 118 15.872 -15.570 -34.118 1.00 21.24 C ATOM 1749 CG ASP A 118 14.417 -15.236 -33.833 1.00 52.33 C ATOM 1750 OD1 ASP A 118 14.061 -15.032 -32.654 1.00 65.31 O ATOM 1751 OD2 ASP A 118 13.621 -15.169 -34.795 1.00 15.42 O ATOM 0 H ASP A 118 16.903 -17.474 -32.138 1.00 14.23 H new ATOM 0 HA ASP A 118 15.430 -17.624 -34.660 1.00 15.15 H new ATOM 0 HB2 ASP A 118 16.505 -15.060 -33.392 1.00 21.24 H new ATOM 0 HB3 ASP A 118 16.141 -15.185 -35.101 1.00 21.24 H new ATOM 1756 N TYR A 119 17.609 -18.273 -35.631 1.00 64.31 N ATOM 1757 CA TYR A 119 18.796 -18.446 -36.470 1.00 61.35 C ATOM 1758 C TYR A 119 18.415 -18.995 -37.852 1.00 61.40 C ATOM 1759 O TYR A 119 18.405 -20.208 -38.078 1.00 74.22 O ATOM 1760 CB TYR A 119 19.837 -19.361 -35.806 1.00 65.15 C ATOM 1761 CG TYR A 119 21.133 -19.466 -36.598 1.00 31.03 C ATOM 1762 CD1 TYR A 119 22.093 -18.460 -36.533 1.00 62.33 C ATOM 1763 CD2 TYR A 119 21.390 -20.561 -37.416 1.00 73.20 C ATOM 1764 CE1 TYR A 119 23.268 -18.544 -37.259 1.00 44.23 C ATOM 1765 CE2 TYR A 119 22.564 -20.651 -38.143 1.00 42.55 C ATOM 1766 CZ TYR A 119 23.499 -19.640 -38.061 1.00 51.14 C ATOM 1767 OH TYR A 119 24.669 -19.725 -38.785 1.00 21.15 O ATOM 0 H TYR A 119 16.849 -18.921 -35.839 1.00 64.31 H new ATOM 0 HA TYR A 119 19.246 -17.461 -36.594 1.00 61.35 H new ATOM 0 HB2 TYR A 119 20.058 -18.984 -34.807 1.00 65.15 H new ATOM 0 HB3 TYR A 119 19.411 -20.357 -35.684 1.00 65.15 H new ATOM 0 HD1 TYR A 119 21.918 -17.599 -35.905 1.00 62.33 H new ATOM 0 HD2 TYR A 119 20.661 -21.355 -37.485 1.00 73.20 H new ATOM 0 HE1 TYR A 119 24.001 -17.753 -37.197 1.00 44.23 H new ATOM 0 HE2 TYR A 119 22.748 -21.509 -38.772 1.00 42.55 H new ATOM 0 HH TYR A 119 24.676 -20.560 -39.298 1.00 21.15 H new ATOM 1777 N ASN A 120 18.072 -18.092 -38.765 1.00 51.25 N ATOM 1778 CA ASN A 120 17.798 -18.455 -40.156 1.00 52.43 C ATOM 1779 C ASN A 120 18.763 -17.716 -41.094 1.00 43.31 C ATOM 1780 O ASN A 120 18.401 -16.726 -41.732 1.00 44.33 O ATOM 1781 CB ASN A 120 16.336 -18.144 -40.516 1.00 75.00 C ATOM 1782 CG ASN A 120 15.981 -18.553 -41.936 1.00 4.30 C ATOM 1783 OD1 ASN A 120 16.556 -19.482 -42.492 1.00 32.00 O ATOM 1784 ND2 ASN A 120 15.031 -17.866 -42.537 1.00 20.21 N ATOM 0 H ASN A 120 17.976 -17.096 -38.567 1.00 51.25 H new ATOM 0 HA ASN A 120 17.954 -19.527 -40.277 1.00 52.43 H new ATOM 0 HB2 ASN A 120 15.677 -18.660 -39.818 1.00 75.00 H new ATOM 0 HB3 ASN A 120 16.156 -17.076 -40.394 1.00 75.00 H new ATOM 0 HD21 ASN A 120 14.756 -18.102 -43.490 1.00 20.21 H new ATOM 0 HD22 ASN A 120 14.570 -17.098 -42.049 1.00 20.21 H new ATOM 1791 N VAL A 121 20.010 -18.188 -41.137 1.00 72.23 N ATOM 1792 CA VAL A 121 21.062 -17.562 -41.947 1.00 30.00 C ATOM 1793 C VAL A 121 21.898 -18.617 -42.691 1.00 42.24 C ATOM 1794 O VAL A 121 22.584 -19.434 -42.072 1.00 11.31 O ATOM 1795 CB VAL A 121 22.011 -16.695 -41.077 1.00 42.41 C ATOM 1796 CG1 VAL A 121 23.077 -16.020 -41.942 1.00 25.25 C ATOM 1797 CG2 VAL A 121 21.225 -15.657 -40.273 1.00 74.54 C ATOM 0 H VAL A 121 20.320 -19.009 -40.616 1.00 72.23 H new ATOM 0 HA VAL A 121 20.557 -16.924 -42.672 1.00 30.00 H new ATOM 0 HB VAL A 121 22.515 -17.355 -40.371 1.00 42.41 H new ATOM 0 HG11 VAL A 121 23.730 -15.418 -41.311 1.00 25.25 H new ATOM 0 HG12 VAL A 121 23.667 -16.781 -42.453 1.00 25.25 H new ATOM 0 HG13 VAL A 121 22.595 -15.379 -42.680 1.00 25.25 H new ATOM 0 HG21 VAL A 121 21.915 -15.064 -39.673 1.00 74.54 H new ATOM 0 HG22 VAL A 121 20.683 -15.003 -40.955 1.00 74.54 H new ATOM 0 HG23 VAL A 121 20.517 -16.164 -39.617 1.00 74.54 H new ATOM 1807 N VAL A 122 21.834 -18.590 -44.018 1.00 73.35 N ATOM 1808 CA VAL A 122 22.616 -19.504 -44.858 1.00 61.42 C ATOM 1809 C VAL A 122 23.849 -18.791 -45.440 1.00 71.44 C ATOM 1810 O VAL A 122 23.733 -17.733 -46.062 1.00 63.32 O ATOM 1811 CB VAL A 122 21.752 -20.093 -46.009 1.00 52.22 C ATOM 1812 CG1 VAL A 122 20.657 -20.999 -45.447 1.00 31.21 C ATOM 1813 CG2 VAL A 122 21.140 -18.983 -46.866 1.00 72.53 C ATOM 0 H VAL A 122 21.246 -17.942 -44.542 1.00 73.35 H new ATOM 0 HA VAL A 122 22.950 -20.326 -44.224 1.00 61.42 H new ATOM 0 HB VAL A 122 22.405 -20.689 -46.647 1.00 52.22 H new ATOM 0 HG11 VAL A 122 20.062 -21.402 -46.267 1.00 31.21 H new ATOM 0 HG12 VAL A 122 21.113 -21.819 -44.892 1.00 31.21 H new ATOM 0 HG13 VAL A 122 20.014 -20.423 -44.781 1.00 31.21 H new ATOM 0 HG21 VAL A 122 20.542 -19.426 -47.662 1.00 72.53 H new ATOM 0 HG22 VAL A 122 20.506 -18.351 -46.244 1.00 72.53 H new ATOM 0 HG23 VAL A 122 21.936 -18.380 -47.303 1.00 72.53 H new ATOM 1823 N SER A 123 25.034 -19.362 -45.228 1.00 21.32 N ATOM 1824 CA SER A 123 26.286 -18.727 -45.676 1.00 33.32 C ATOM 1825 C SER A 123 26.937 -19.494 -46.836 1.00 34.35 C ATOM 1826 O SER A 123 27.590 -20.520 -46.627 1.00 2.44 O ATOM 1827 CB SER A 123 27.279 -18.617 -44.509 1.00 5.11 C ATOM 1828 OG SER A 123 28.488 -17.984 -44.916 1.00 13.41 O ATOM 0 H SER A 123 25.160 -20.256 -44.753 1.00 21.32 H new ATOM 0 HA SER A 123 26.030 -17.730 -46.034 1.00 33.32 H new ATOM 0 HB2 SER A 123 26.826 -18.051 -43.695 1.00 5.11 H new ATOM 0 HB3 SER A 123 27.499 -19.612 -44.121 1.00 5.11 H new ATOM 0 HG SER A 123 29.100 -17.926 -44.153 1.00 13.41 H new ATOM 1834 N ARG A 124 26.757 -18.987 -48.058 1.00 55.54 N ATOM 1835 CA ARG A 124 27.345 -19.601 -49.253 1.00 45.12 C ATOM 1836 C ARG A 124 27.234 -18.646 -50.456 1.00 60.34 C ATOM 1837 O ARG A 124 26.139 -18.384 -50.956 1.00 72.21 O ATOM 1838 CB ARG A 124 26.643 -20.940 -49.560 1.00 44.33 C ATOM 1839 CG ARG A 124 27.508 -21.976 -50.288 1.00 12.54 C ATOM 1840 CD ARG A 124 27.937 -21.538 -51.687 1.00 31.23 C ATOM 1841 NE ARG A 124 28.567 -22.633 -52.420 1.00 62.50 N ATOM 1842 CZ ARG A 124 29.270 -22.498 -53.510 1.00 71.54 C ATOM 1843 NH1 ARG A 124 29.513 -21.327 -54.008 1.00 13.41 N ATOM 1844 NH2 ARG A 124 29.750 -23.548 -54.092 1.00 24.24 N ATOM 0 H ARG A 124 26.207 -18.149 -48.247 1.00 55.54 H new ATOM 0 HA ARG A 124 28.401 -19.795 -49.065 1.00 45.12 H new ATOM 0 HB2 ARG A 124 26.296 -21.374 -48.622 1.00 44.33 H new ATOM 0 HB3 ARG A 124 25.759 -20.739 -50.165 1.00 44.33 H new ATOM 0 HG2 ARG A 124 28.397 -22.179 -49.691 1.00 12.54 H new ATOM 0 HG3 ARG A 124 26.954 -22.912 -50.363 1.00 12.54 H new ATOM 0 HD2 ARG A 124 27.068 -21.181 -52.240 1.00 31.23 H new ATOM 0 HD3 ARG A 124 28.632 -20.702 -51.611 1.00 31.23 H new ATOM 0 HE ARG A 124 28.448 -23.576 -52.051 1.00 62.50 H new ATOM 0 HH11 ARG A 124 29.153 -20.492 -53.547 1.00 13.41 H new ATOM 0 HH12 ARG A 124 30.065 -21.240 -54.861 1.00 13.41 H new ATOM 0 HH21 ARG A 124 29.578 -24.473 -53.698 1.00 24.24 H new ATOM 0 HH22 ARG A 124 30.301 -23.451 -54.945 1.00 24.24 H new ATOM 1858 N LEU A 125 28.369 -18.131 -50.917 1.00 71.10 N ATOM 1859 CA LEU A 125 28.395 -17.210 -52.062 1.00 34.13 C ATOM 1860 C LEU A 125 29.050 -17.878 -53.288 1.00 3.22 C ATOM 1861 O LEU A 125 29.777 -18.863 -53.148 1.00 45.31 O ATOM 1862 CB LEU A 125 29.140 -15.924 -51.670 1.00 22.02 C ATOM 1863 CG LEU A 125 29.023 -14.754 -52.660 1.00 11.22 C ATOM 1864 CD1 LEU A 125 27.563 -14.363 -52.873 1.00 43.40 C ATOM 1865 CD2 LEU A 125 29.836 -13.557 -52.172 1.00 55.41 C ATOM 0 H LEU A 125 29.286 -18.332 -50.519 1.00 71.10 H new ATOM 0 HA LEU A 125 27.372 -16.954 -52.336 1.00 34.13 H new ATOM 0 HB2 LEU A 125 28.769 -15.593 -50.700 1.00 22.02 H new ATOM 0 HB3 LEU A 125 30.196 -16.163 -51.542 1.00 22.02 H new ATOM 0 HG LEU A 125 29.428 -15.078 -53.619 1.00 11.22 H new ATOM 0 HD11 LEU A 125 27.508 -13.533 -53.577 1.00 43.40 H new ATOM 0 HD12 LEU A 125 27.013 -15.215 -53.272 1.00 43.40 H new ATOM 0 HD13 LEU A 125 27.125 -14.061 -51.922 1.00 43.40 H new ATOM 0 HD21 LEU A 125 29.742 -12.738 -52.885 1.00 55.41 H new ATOM 0 HD22 LEU A 125 29.463 -13.236 -51.199 1.00 55.41 H new ATOM 0 HD23 LEU A 125 30.884 -13.841 -52.083 1.00 55.41 H new ATOM 1877 N GLU A 126 28.782 -17.353 -54.487 1.00 52.23 N ATOM 1878 CA GLU A 126 29.283 -17.960 -55.734 1.00 74.43 C ATOM 1879 C GLU A 126 29.834 -16.877 -56.689 1.00 31.04 C ATOM 1880 O GLU A 126 29.193 -15.841 -56.901 1.00 62.33 O ATOM 1881 CB GLU A 126 28.139 -18.765 -56.391 1.00 5.31 C ATOM 1882 CG GLU A 126 28.583 -19.879 -57.346 1.00 53.24 C ATOM 1883 CD GLU A 126 28.797 -19.407 -58.775 1.00 35.53 C ATOM 1884 OE1 GLU A 126 29.906 -18.956 -59.101 1.00 71.31 O ATOM 1885 OE2 GLU A 126 27.853 -19.495 -59.586 1.00 63.54 O ATOM 0 H GLU A 126 28.223 -16.511 -54.626 1.00 52.23 H new ATOM 0 HA GLU A 126 30.109 -18.635 -55.509 1.00 74.43 H new ATOM 0 HB2 GLU A 126 27.529 -19.207 -55.603 1.00 5.31 H new ATOM 0 HB3 GLU A 126 27.499 -18.073 -56.939 1.00 5.31 H new ATOM 0 HG2 GLU A 126 29.509 -20.317 -56.974 1.00 53.24 H new ATOM 0 HG3 GLU A 126 27.833 -20.670 -57.342 1.00 53.24 H new ATOM 1892 N HIS A 127 31.022 -17.116 -57.260 1.00 70.21 N ATOM 1893 CA HIS A 127 31.703 -16.115 -58.104 1.00 4.13 C ATOM 1894 C HIS A 127 32.357 -16.743 -59.356 1.00 22.12 C ATOM 1895 O HIS A 127 33.581 -16.811 -59.474 1.00 23.30 O ATOM 1896 CB HIS A 127 32.753 -15.358 -57.274 1.00 60.24 C ATOM 1897 CG HIS A 127 33.798 -16.241 -56.644 1.00 44.45 C ATOM 1898 ND1 HIS A 127 35.114 -16.258 -57.053 1.00 51.23 N ATOM 1899 CD2 HIS A 127 33.720 -17.130 -55.622 1.00 44.44 C ATOM 1900 CE1 HIS A 127 35.794 -17.111 -56.316 1.00 40.41 C ATOM 1901 NE2 HIS A 127 34.975 -17.651 -55.442 1.00 1.34 N ATOM 0 H HIS A 127 31.534 -17.992 -57.155 1.00 70.21 H new ATOM 0 HA HIS A 127 30.944 -15.418 -58.459 1.00 4.13 H new ATOM 0 HB2 HIS A 127 33.249 -14.628 -57.914 1.00 60.24 H new ATOM 0 HB3 HIS A 127 32.244 -14.799 -56.488 1.00 60.24 H new ATOM 0 HD2 HIS A 127 32.835 -17.380 -55.056 1.00 44.44 H new ATOM 0 HE1 HIS A 127 36.847 -17.330 -56.413 1.00 40.41 H new ATOM 0 HE2 HIS A 127 35.232 -18.347 -54.742 1.00 1.34 H new ATOM 1910 N HIS A 128 31.528 -17.197 -60.290 1.00 43.30 N ATOM 1911 CA HIS A 128 32.010 -17.814 -61.536 1.00 75.13 C ATOM 1912 C HIS A 128 32.682 -16.798 -62.478 1.00 71.13 C ATOM 1913 O HIS A 128 32.265 -15.641 -62.571 1.00 21.22 O ATOM 1914 CB HIS A 128 30.846 -18.506 -62.260 1.00 63.53 C ATOM 1915 CG HIS A 128 29.641 -17.626 -62.436 1.00 60.12 C ATOM 1916 ND1 HIS A 128 28.619 -17.564 -61.516 1.00 20.34 N ATOM 1917 CD2 HIS A 128 29.300 -16.764 -63.424 1.00 4.22 C ATOM 1918 CE1 HIS A 128 27.708 -16.710 -61.925 1.00 44.53 C ATOM 1919 NE2 HIS A 128 28.093 -16.208 -63.080 1.00 5.14 N ATOM 0 H HIS A 128 30.512 -17.152 -60.213 1.00 43.30 H new ATOM 0 HA HIS A 128 32.768 -18.547 -61.260 1.00 75.13 H new ATOM 0 HB2 HIS A 128 31.186 -18.842 -63.239 1.00 63.53 H new ATOM 0 HB3 HIS A 128 30.558 -19.396 -61.700 1.00 63.53 H new ATOM 0 HD2 HIS A 128 29.871 -16.554 -64.316 1.00 4.22 H new ATOM 0 HE1 HIS A 128 26.796 -16.461 -61.402 1.00 44.53 H new ATOM 0 HE2 HIS A 128 27.579 -15.519 -63.629 1.00 5.14 H new ATOM 1928 N HIS A 129 33.721 -17.250 -63.180 1.00 14.21 N ATOM 1929 CA HIS A 129 34.436 -16.424 -64.168 1.00 12.05 C ATOM 1930 C HIS A 129 34.915 -17.282 -65.354 1.00 71.14 C ATOM 1931 O HIS A 129 34.680 -18.491 -65.382 1.00 35.21 O ATOM 1932 CB HIS A 129 35.640 -15.715 -63.517 1.00 60.35 C ATOM 1933 CG HIS A 129 35.266 -14.607 -62.581 1.00 14.04 C ATOM 1934 ND1 HIS A 129 34.996 -13.326 -63.010 1.00 31.23 N ATOM 1935 CD2 HIS A 129 35.119 -14.585 -61.234 1.00 70.42 C ATOM 1936 CE1 HIS A 129 34.701 -12.568 -61.975 1.00 13.21 C ATOM 1937 NE2 HIS A 129 34.766 -13.304 -60.884 1.00 1.23 N ATOM 0 H HIS A 129 34.094 -18.195 -63.085 1.00 14.21 H new ATOM 0 HA HIS A 129 33.741 -15.670 -64.538 1.00 12.05 H new ATOM 0 HB2 HIS A 129 36.231 -16.452 -62.973 1.00 60.35 H new ATOM 0 HB3 HIS A 129 36.279 -15.312 -64.303 1.00 60.35 H new ATOM 0 HD2 HIS A 129 35.254 -15.419 -60.561 1.00 70.42 H new ATOM 0 HE1 HIS A 129 34.448 -11.519 -62.014 1.00 13.21 H new ATOM 0 HE2 HIS A 129 34.584 -12.977 -59.935 1.00 1.23 H new ATOM 1946 N HIS A 130 35.577 -16.643 -66.329 1.00 22.24 N ATOM 1947 CA HIS A 130 36.164 -17.342 -67.489 1.00 41.42 C ATOM 1948 C HIS A 130 35.093 -17.936 -68.428 1.00 72.33 C ATOM 1949 O HIS A 130 34.504 -18.976 -68.139 1.00 64.35 O ATOM 1950 CB HIS A 130 37.129 -18.440 -67.006 1.00 34.12 C ATOM 1951 CG HIS A 130 37.669 -19.317 -68.097 1.00 62.01 C ATOM 1952 ND1 HIS A 130 37.070 -20.500 -68.476 1.00 53.23 N ATOM 1953 CD2 HIS A 130 38.760 -19.185 -68.888 1.00 51.41 C ATOM 1954 CE1 HIS A 130 37.767 -21.054 -69.447 1.00 45.24 C ATOM 1955 NE2 HIS A 130 38.794 -20.278 -69.715 1.00 12.31 N ATOM 0 H HIS A 130 35.722 -15.633 -66.339 1.00 22.24 H new ATOM 0 HA HIS A 130 36.714 -16.602 -68.071 1.00 41.42 H new ATOM 0 HB2 HIS A 130 37.965 -17.970 -66.488 1.00 34.12 H new ATOM 0 HB3 HIS A 130 36.613 -19.065 -66.277 1.00 34.12 H new ATOM 0 HD2 HIS A 130 39.470 -18.371 -68.871 1.00 51.41 H new ATOM 0 HE1 HIS A 130 37.534 -21.987 -69.939 1.00 45.24 H new ATOM 0 HE2 HIS A 130 39.503 -20.460 -70.425 1.00 12.31 H new ATOM 1964 N HIS A 131 34.846 -17.264 -69.556 1.00 23.33 N ATOM 1965 CA HIS A 131 33.896 -17.747 -70.573 1.00 21.00 C ATOM 1966 C HIS A 131 34.332 -17.326 -71.988 1.00 21.54 C ATOM 1967 O HIS A 131 34.995 -16.304 -72.168 1.00 43.22 O ATOM 1968 CB HIS A 131 32.478 -17.220 -70.296 1.00 64.51 C ATOM 1969 CG HIS A 131 31.830 -17.798 -69.072 1.00 14.00 C ATOM 1970 ND1 HIS A 131 31.435 -19.114 -68.981 1.00 33.22 N ATOM 1971 CD2 HIS A 131 31.488 -17.229 -67.892 1.00 21.24 C ATOM 1972 CE1 HIS A 131 30.874 -19.326 -67.811 1.00 35.10 C ATOM 1973 NE2 HIS A 131 30.890 -18.201 -67.125 1.00 64.21 N ATOM 0 H HIS A 131 35.292 -16.378 -69.793 1.00 23.33 H new ATOM 0 HA HIS A 131 33.889 -18.836 -70.517 1.00 21.00 H new ATOM 0 HB2 HIS A 131 32.520 -16.136 -70.192 1.00 64.51 H new ATOM 0 HB3 HIS A 131 31.849 -17.433 -71.160 1.00 64.51 H new ATOM 0 HD2 HIS A 131 31.654 -16.201 -67.606 1.00 21.24 H new ATOM 0 HE1 HIS A 131 30.467 -20.266 -67.469 1.00 35.10 H new ATOM 0 HE2 HIS A 131 30.521 -18.073 -66.183 1.00 64.21 H new ATOM 1982 N HIS A 132 33.955 -18.119 -72.993 1.00 45.44 N ATOM 1983 CA HIS A 132 34.268 -17.805 -74.396 1.00 14.43 C ATOM 1984 C HIS A 132 33.031 -17.246 -75.118 1.00 5.32 C ATOM 1985 O HIS A 132 33.104 -16.799 -76.270 1.00 75.34 O ATOM 1986 CB HIS A 132 34.785 -19.065 -75.109 1.00 34.13 C ATOM 1987 CG HIS A 132 35.272 -18.829 -76.512 1.00 43.31 C ATOM 1988 ND1 HIS A 132 34.463 -18.957 -77.622 1.00 75.23 N ATOM 1989 CD2 HIS A 132 36.495 -18.483 -76.986 1.00 32.51 C ATOM 1990 CE1 HIS A 132 35.162 -18.703 -78.709 1.00 72.41 C ATOM 1991 NE2 HIS A 132 36.393 -18.413 -78.352 1.00 12.22 N ATOM 0 H HIS A 132 33.432 -18.985 -72.865 1.00 45.44 H new ATOM 0 HA HIS A 132 35.045 -17.041 -74.419 1.00 14.43 H new ATOM 0 HB2 HIS A 132 35.598 -19.492 -74.522 1.00 34.13 H new ATOM 0 HB3 HIS A 132 33.987 -19.807 -75.134 1.00 34.13 H new ATOM 0 HD2 HIS A 132 37.382 -18.298 -76.398 1.00 32.51 H new ATOM 0 HE1 HIS A 132 34.787 -18.729 -79.722 1.00 72.41 H new ATOM 0 HE2 HIS A 132 37.152 -18.174 -78.990 1.00 12.22 H new TER 2000 HIS A 132