USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 664 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 51 SER OG : rot 87:sc= 0.761 USER MOD Set 1.2: A 56 THR OG1 : rot 109:sc= 0.616 USER MOD Set 2.1: A 16 GLN : amide:sc= -0.0779 X(o=-0.095,f=-0.056) USER MOD Set 2.2: A 18 SER OG : rot 180:sc= -0.0175 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0821 (180deg=-0.526) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.906 (180deg=0.273!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.29) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.646 K(o=0.65,f=-3.1!) USER MOD Single : A 9 SER OG : rot 52:sc= -0.026 USER MOD Single : A 10 HIS : no HD1:sc= -0.374 K(o=-0.37,f=-4.1!) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.136 (180deg=-0.586) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -162:sc= 1.08 USER MOD Single : A 24 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0357 (180deg=-0.223) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.13) USER MOD Single : A 33 MET CE :methyl -165:sc= -0.133 (180deg=-0.563) USER MOD Single : A 34 ASN : amide:sc= -0.0355 X(o=-0.035,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0448 (180deg=-0.33) USER MOD Single : A 42 CYS SG : rot -67:sc= -3.16! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.54) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc=0.000244 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 37:sc= 0.669 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 62 SER OG : rot 180:sc= 0.184 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0858 (180deg=-0.274) USER MOD Single : A 66 CYS SG : rot 160:sc= -0.766 USER MOD Single : A 67 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.53) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= 1.08 (180deg=1.05) USER MOD Single : A 75 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-1.6) USER MOD Single : A 77 LYS NZ :NH3+ 145:sc= -0.26 (180deg=-1.37) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -175:sc= 1.12 (180deg=1.08) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.691 -10.263 17.410 1.00 32.45 N ATOM 2 CA MET A 1 9.819 -9.109 17.047 1.00 5.55 C ATOM 3 C MET A 1 10.648 -7.947 16.476 1.00 74.43 C ATOM 4 O MET A 1 11.801 -7.749 16.861 1.00 15.32 O ATOM 5 CB MET A 1 9.025 -8.619 18.270 1.00 45.00 C ATOM 6 CG MET A 1 8.066 -9.651 18.845 1.00 33.52 C ATOM 7 SD MET A 1 8.910 -11.104 19.497 1.00 71.31 S ATOM 8 CE MET A 1 9.838 -10.384 20.852 1.00 53.35 C ATOM 0 H1 MET A 1 10.191 -10.878 18.084 1.00 32.45 H new ATOM 0 H2 MET A 1 10.924 -10.805 16.554 1.00 32.45 H new ATOM 0 H3 MET A 1 11.567 -9.912 17.846 1.00 32.45 H new ATOM 0 HA MET A 1 9.122 -9.453 16.283 1.00 5.55 H new ATOM 0 HB2 MET A 1 9.727 -8.318 19.048 1.00 45.00 H new ATOM 0 HB3 MET A 1 8.460 -7.730 17.990 1.00 45.00 H new ATOM 0 HG2 MET A 1 7.478 -9.191 19.640 1.00 33.52 H new ATOM 0 HG3 MET A 1 7.366 -9.961 18.069 1.00 33.52 H new ATOM 0 HE1 MET A 1 10.134 -11.169 21.548 1.00 53.35 H new ATOM 0 HE2 MET A 1 10.728 -9.890 20.462 1.00 53.35 H new ATOM 0 HE3 MET A 1 9.217 -9.655 21.371 1.00 53.35 H new ATOM 20 N GLY A 2 10.063 -7.196 15.542 1.00 53.54 N ATOM 21 CA GLY A 2 10.724 -6.007 15.003 1.00 63.44 C ATOM 22 C GLY A 2 11.810 -6.308 13.969 1.00 11.24 C ATOM 23 O GLY A 2 11.831 -5.713 12.892 1.00 63.15 O ATOM 0 H GLY A 2 9.142 -7.387 15.146 1.00 53.54 H new ATOM 0 HA2 GLY A 2 9.972 -5.363 14.547 1.00 63.44 H new ATOM 0 HA3 GLY A 2 11.167 -5.447 15.826 1.00 63.44 H new ATOM 27 N HIS A 3 12.715 -7.231 14.290 1.00 32.23 N ATOM 28 CA HIS A 3 13.859 -7.529 13.419 1.00 54.34 C ATOM 29 C HIS A 3 13.436 -8.237 12.115 1.00 22.52 C ATOM 30 O HIS A 3 13.123 -9.428 12.115 1.00 13.21 O ATOM 31 CB HIS A 3 14.882 -8.385 14.175 1.00 60.32 C ATOM 32 CG HIS A 3 15.395 -7.740 15.430 1.00 32.23 C ATOM 33 ND1 HIS A 3 16.478 -6.888 15.451 1.00 21.03 N ATOM 34 CD2 HIS A 3 14.967 -7.825 16.713 1.00 2.41 C ATOM 35 CE1 HIS A 3 16.694 -6.480 16.686 1.00 13.54 C ATOM 36 NE2 HIS A 3 15.792 -7.032 17.470 1.00 21.35 N ATOM 0 H HIS A 3 12.682 -7.787 15.145 1.00 32.23 H new ATOM 0 HA HIS A 3 14.310 -6.578 13.137 1.00 54.34 H new ATOM 0 HB2 HIS A 3 14.426 -9.342 14.429 1.00 60.32 H new ATOM 0 HB3 HIS A 3 15.723 -8.598 13.516 1.00 60.32 H new ATOM 0 HD2 HIS A 3 14.132 -8.408 17.073 1.00 2.41 H new ATOM 0 HE1 HIS A 3 17.478 -5.807 17.001 1.00 13.54 H new ATOM 0 HE2 HIS A 3 15.718 -6.893 18.478 1.00 21.35 H new ATOM 45 N HIS A 4 13.423 -7.492 11.007 1.00 1.43 N ATOM 46 CA HIS A 4 13.122 -8.054 9.679 1.00 44.02 C ATOM 47 C HIS A 4 14.106 -7.510 8.623 1.00 21.42 C ATOM 48 O HIS A 4 14.255 -6.298 8.468 1.00 53.44 O ATOM 49 CB HIS A 4 11.674 -7.727 9.270 1.00 22.34 C ATOM 50 CG HIS A 4 10.631 -8.340 10.161 1.00 32.33 C ATOM 51 ND1 HIS A 4 10.155 -9.622 9.993 1.00 5.22 N ATOM 52 CD2 HIS A 4 9.965 -7.836 11.229 1.00 74.54 C ATOM 53 CE1 HIS A 4 9.247 -9.880 10.912 1.00 55.41 C ATOM 54 NE2 HIS A 4 9.113 -8.817 11.674 1.00 33.21 N ATOM 0 H HIS A 4 13.618 -6.491 10.999 1.00 1.43 H new ATOM 0 HA HIS A 4 13.234 -9.137 9.735 1.00 44.02 H new ATOM 0 HB2 HIS A 4 11.544 -6.645 9.268 1.00 22.34 H new ATOM 0 HB3 HIS A 4 11.510 -8.070 8.248 1.00 22.34 H new ATOM 0 HD2 HIS A 4 10.082 -6.849 11.651 1.00 74.54 H new ATOM 0 HE1 HIS A 4 8.705 -10.808 11.021 1.00 55.41 H new ATOM 0 HE2 HIS A 4 8.478 -8.734 12.468 1.00 33.21 H new ATOM 63 N HIS A 5 14.763 -8.412 7.893 1.00 3.32 N ATOM 64 CA HIS A 5 15.790 -8.028 6.911 1.00 21.12 C ATOM 65 C HIS A 5 15.309 -8.248 5.469 1.00 54.14 C ATOM 66 O HIS A 5 15.255 -9.378 4.994 1.00 65.23 O ATOM 67 CB HIS A 5 17.071 -8.841 7.154 1.00 43.04 C ATOM 68 CG HIS A 5 18.195 -8.506 6.215 1.00 61.32 C ATOM 69 ND1 HIS A 5 19.063 -7.459 6.427 1.00 44.13 N ATOM 70 CD2 HIS A 5 18.593 -9.089 5.056 1.00 52.35 C ATOM 71 CE1 HIS A 5 19.941 -7.409 5.446 1.00 15.25 C ATOM 72 NE2 HIS A 5 19.679 -8.385 4.602 1.00 75.11 N ATOM 0 H HIS A 5 14.605 -9.417 7.960 1.00 3.32 H new ATOM 0 HA HIS A 5 15.992 -6.965 7.040 1.00 21.12 H new ATOM 0 HB2 HIS A 5 17.405 -8.675 8.178 1.00 43.04 H new ATOM 0 HB3 HIS A 5 16.839 -9.902 7.062 1.00 43.04 H new ATOM 0 HD2 HIS A 5 18.140 -9.946 4.580 1.00 52.35 H new ATOM 0 HE1 HIS A 5 20.740 -6.689 5.350 1.00 15.25 H new ATOM 0 HE2 HIS A 5 20.200 -8.585 3.748 1.00 75.11 H new ATOM 81 N HIS A 6 14.952 -7.165 4.778 1.00 4.01 N ATOM 82 CA HIS A 6 14.554 -7.243 3.364 1.00 0.33 C ATOM 83 C HIS A 6 14.960 -5.972 2.590 1.00 2.43 C ATOM 84 O HIS A 6 14.122 -5.302 1.984 1.00 63.24 O ATOM 85 CB HIS A 6 13.039 -7.488 3.232 1.00 50.43 C ATOM 86 CG HIS A 6 12.591 -8.822 3.757 1.00 23.35 C ATOM 87 ND1 HIS A 6 12.798 -10.005 3.081 1.00 40.44 N ATOM 88 CD2 HIS A 6 11.954 -9.161 4.906 1.00 70.43 C ATOM 89 CE1 HIS A 6 12.312 -11.006 3.786 1.00 4.21 C ATOM 90 NE2 HIS A 6 11.796 -10.527 4.897 1.00 0.24 N ATOM 0 H HIS A 6 14.929 -6.223 5.170 1.00 4.01 H new ATOM 0 HA HIS A 6 15.083 -8.088 2.924 1.00 0.33 H new ATOM 0 HB2 HIS A 6 12.506 -6.701 3.765 1.00 50.43 H new ATOM 0 HB3 HIS A 6 12.758 -7.409 2.182 1.00 50.43 H new ATOM 0 HD2 HIS A 6 11.631 -8.484 5.683 1.00 70.43 H new ATOM 0 HE1 HIS A 6 12.334 -12.047 3.499 1.00 4.21 H new ATOM 0 HE2 HIS A 6 11.352 -11.078 5.631 1.00 0.24 H new ATOM 99 N HIS A 7 16.257 -5.667 2.605 1.00 64.33 N ATOM 100 CA HIS A 7 16.822 -4.499 1.902 1.00 12.10 C ATOM 101 C HIS A 7 16.492 -4.499 0.394 1.00 54.33 C ATOM 102 O HIS A 7 17.027 -5.304 -0.367 1.00 60.43 O ATOM 103 CB HIS A 7 18.347 -4.480 2.116 1.00 62.34 C ATOM 104 CG HIS A 7 19.097 -3.511 1.244 1.00 63.42 C ATOM 105 ND1 HIS A 7 19.169 -2.160 1.497 1.00 20.22 N ATOM 106 CD2 HIS A 7 19.821 -3.714 0.115 1.00 24.01 C ATOM 107 CE1 HIS A 7 19.896 -1.576 0.566 1.00 31.44 C ATOM 108 NE2 HIS A 7 20.304 -2.494 -0.284 1.00 2.44 N ATOM 0 H HIS A 7 16.954 -6.220 3.104 1.00 64.33 H new ATOM 0 HA HIS A 7 16.368 -3.600 2.319 1.00 12.10 H new ATOM 0 HB2 HIS A 7 18.550 -4.239 3.160 1.00 62.34 H new ATOM 0 HB3 HIS A 7 18.737 -5.482 1.939 1.00 62.34 H new ATOM 0 HD2 HIS A 7 19.986 -4.661 -0.378 1.00 24.01 H new ATOM 0 HE1 HIS A 7 20.120 -0.521 0.510 1.00 31.44 H new ATOM 0 HE2 HIS A 7 20.885 -2.326 -1.106 1.00 2.44 H new ATOM 117 N HIS A 8 15.612 -3.586 -0.029 1.00 40.31 N ATOM 118 CA HIS A 8 15.248 -3.445 -1.454 1.00 33.33 C ATOM 119 C HIS A 8 14.921 -1.986 -1.816 1.00 40.42 C ATOM 120 O HIS A 8 14.546 -1.189 -0.957 1.00 14.35 O ATOM 121 CB HIS A 8 14.034 -4.321 -1.800 1.00 42.41 C ATOM 122 CG HIS A 8 14.276 -5.788 -1.640 1.00 62.20 C ATOM 123 ND1 HIS A 8 13.973 -6.475 -0.491 1.00 35.11 N ATOM 124 CD2 HIS A 8 14.792 -6.700 -2.497 1.00 61.21 C ATOM 125 CE1 HIS A 8 14.293 -7.742 -0.642 1.00 23.23 C ATOM 126 NE2 HIS A 8 14.790 -7.908 -1.849 1.00 63.31 N ATOM 0 H HIS A 8 15.135 -2.931 0.590 1.00 40.31 H new ATOM 0 HA HIS A 8 16.114 -3.769 -2.031 1.00 33.33 H new ATOM 0 HB2 HIS A 8 13.197 -4.030 -1.166 1.00 42.41 H new ATOM 0 HB3 HIS A 8 13.738 -4.122 -2.830 1.00 42.41 H new ATOM 0 HD1 HIS A 8 13.563 -6.067 0.349 1.00 35.11 H new ATOM 0 HD2 HIS A 8 15.140 -6.511 -3.502 1.00 61.21 H new ATOM 0 HE1 HIS A 8 14.169 -8.516 0.100 1.00 23.23 H new ATOM 135 N SER A 9 15.068 -1.655 -3.099 1.00 63.43 N ATOM 136 CA SER A 9 14.652 -0.345 -3.631 1.00 60.25 C ATOM 137 C SER A 9 13.635 -0.526 -4.770 1.00 33.32 C ATOM 138 O SER A 9 13.239 -1.650 -5.081 1.00 52.01 O ATOM 139 CB SER A 9 15.870 0.455 -4.132 1.00 62.14 C ATOM 140 OG SER A 9 15.485 1.735 -4.619 1.00 12.42 O ATOM 0 H SER A 9 15.474 -2.277 -3.798 1.00 63.43 H new ATOM 0 HA SER A 9 14.180 0.214 -2.823 1.00 60.25 H new ATOM 0 HB2 SER A 9 16.588 0.574 -3.321 1.00 62.14 H new ATOM 0 HB3 SER A 9 16.372 -0.101 -4.924 1.00 62.14 H new ATOM 0 HG SER A 9 14.942 2.192 -3.943 1.00 12.42 H new ATOM 146 N HIS A 10 13.210 0.584 -5.382 1.00 14.21 N ATOM 147 CA HIS A 10 12.245 0.559 -6.498 1.00 50.44 C ATOM 148 C HIS A 10 10.867 0.020 -6.066 1.00 12.14 C ATOM 149 O HIS A 10 10.076 -0.427 -6.901 1.00 2.20 O ATOM 150 CB HIS A 10 12.797 -0.274 -7.666 1.00 22.50 C ATOM 151 CG HIS A 10 14.138 0.186 -8.153 1.00 64.23 C ATOM 152 ND1 HIS A 10 14.326 1.352 -8.860 1.00 25.54 N ATOM 153 CD2 HIS A 10 15.364 -0.376 -8.033 1.00 34.22 C ATOM 154 CE1 HIS A 10 15.600 1.488 -9.154 1.00 75.33 C ATOM 155 NE2 HIS A 10 16.253 0.457 -8.663 1.00 13.11 N ATOM 0 H HIS A 10 13.519 1.521 -5.124 1.00 14.21 H new ATOM 0 HA HIS A 10 12.105 1.590 -6.824 1.00 50.44 H new ATOM 0 HB2 HIS A 10 12.871 -1.316 -7.354 1.00 22.50 H new ATOM 0 HB3 HIS A 10 12.088 -0.238 -8.493 1.00 22.50 H new ATOM 0 HD2 HIS A 10 15.598 -1.305 -7.535 1.00 34.22 H new ATOM 0 HE1 HIS A 10 16.037 2.308 -9.705 1.00 75.33 H new ATOM 0 HE2 HIS A 10 17.258 0.302 -8.739 1.00 13.11 H new ATOM 164 N MET A 11 10.581 0.088 -4.763 1.00 71.14 N ATOM 165 CA MET A 11 9.307 -0.397 -4.212 1.00 62.13 C ATOM 166 C MET A 11 8.267 0.729 -4.103 1.00 13.30 C ATOM 167 O MET A 11 7.110 0.551 -4.476 1.00 70.13 O ATOM 168 CB MET A 11 9.534 -1.033 -2.829 1.00 54.54 C ATOM 169 CG MET A 11 10.454 -2.249 -2.855 1.00 14.02 C ATOM 170 SD MET A 11 10.776 -2.925 -1.210 1.00 20.22 S ATOM 171 CE MET A 11 9.115 -3.321 -0.667 1.00 44.05 C ATOM 0 H MET A 11 11.216 0.476 -4.065 1.00 71.14 H new ATOM 0 HA MET A 11 8.917 -1.148 -4.900 1.00 62.13 H new ATOM 0 HB2 MET A 11 9.956 -0.284 -2.160 1.00 54.54 H new ATOM 0 HB3 MET A 11 8.571 -1.327 -2.412 1.00 54.54 H new ATOM 0 HG2 MET A 11 10.007 -3.023 -3.479 1.00 14.02 H new ATOM 0 HG3 MET A 11 11.400 -1.972 -3.320 1.00 14.02 H new ATOM 0 HE1 MET A 11 9.162 -4.036 0.155 1.00 44.05 H new ATOM 0 HE2 MET A 11 8.616 -2.412 -0.330 1.00 44.05 H new ATOM 0 HE3 MET A 11 8.556 -3.756 -1.495 1.00 44.05 H new ATOM 181 N LEU A 12 8.681 1.882 -3.573 1.00 54.02 N ATOM 182 CA LEU A 12 7.783 3.041 -3.445 1.00 24.24 C ATOM 183 C LEU A 12 7.520 3.726 -4.805 1.00 35.12 C ATOM 184 O LEU A 12 6.372 4.039 -5.124 1.00 44.12 O ATOM 185 CB LEU A 12 8.330 4.066 -2.430 1.00 23.31 C ATOM 186 CG LEU A 12 8.259 3.646 -0.949 1.00 51.32 C ATOM 187 CD1 LEU A 12 9.180 2.461 -0.660 1.00 41.31 C ATOM 188 CD2 LEU A 12 8.592 4.828 -0.040 1.00 41.11 C ATOM 0 H LEU A 12 9.627 2.042 -3.226 1.00 54.02 H new ATOM 0 HA LEU A 12 6.832 2.658 -3.075 1.00 24.24 H new ATOM 0 HB2 LEU A 12 9.370 4.276 -2.679 1.00 23.31 H new ATOM 0 HB3 LEU A 12 7.779 4.998 -2.551 1.00 23.31 H new ATOM 0 HG LEU A 12 7.238 3.327 -0.740 1.00 51.32 H new ATOM 0 HD11 LEU A 12 9.105 2.191 0.393 1.00 41.31 H new ATOM 0 HD12 LEU A 12 8.883 1.611 -1.275 1.00 41.31 H new ATOM 0 HD13 LEU A 12 10.209 2.735 -0.892 1.00 41.31 H new ATOM 0 HD21 LEU A 12 8.537 4.513 1.002 1.00 41.11 H new ATOM 0 HD22 LEU A 12 9.599 5.183 -0.259 1.00 41.11 H new ATOM 0 HD23 LEU A 12 7.878 5.633 -0.214 1.00 41.11 H new ATOM 200 N PRO A 13 8.562 3.999 -5.626 1.00 32.42 N ATOM 201 CA PRO A 13 8.353 4.527 -6.984 1.00 12.40 C ATOM 202 C PRO A 13 7.621 3.512 -7.880 1.00 14.24 C ATOM 203 O PRO A 13 7.747 2.302 -7.682 1.00 3.43 O ATOM 204 CB PRO A 13 9.779 4.790 -7.496 1.00 60.13 C ATOM 205 CG PRO A 13 10.649 3.905 -6.671 1.00 52.35 C ATOM 206 CD PRO A 13 9.998 3.833 -5.317 1.00 63.14 C ATOM 0 HA PRO A 13 7.727 5.420 -6.992 1.00 12.40 H new ATOM 0 HB2 PRO A 13 9.868 4.555 -8.557 1.00 60.13 H new ATOM 0 HB3 PRO A 13 10.055 5.838 -7.377 1.00 60.13 H new ATOM 0 HG2 PRO A 13 10.733 2.914 -7.117 1.00 52.35 H new ATOM 0 HG3 PRO A 13 11.659 4.308 -6.598 1.00 52.35 H new ATOM 0 HD2 PRO A 13 10.197 2.881 -4.824 1.00 63.14 H new ATOM 0 HD3 PRO A 13 10.361 4.618 -4.653 1.00 63.14 H new ATOM 214 N PRO A 14 6.828 3.982 -8.868 1.00 12.32 N ATOM 215 CA PRO A 14 6.077 3.089 -9.773 1.00 31.21 C ATOM 216 C PRO A 14 6.988 2.188 -10.634 1.00 22.43 C ATOM 217 O PRO A 14 7.157 2.411 -11.837 1.00 24.11 O ATOM 218 CB PRO A 14 5.262 4.060 -10.653 1.00 73.24 C ATOM 219 CG PRO A 14 5.267 5.356 -9.907 1.00 42.25 C ATOM 220 CD PRO A 14 6.579 5.402 -9.174 1.00 65.21 C ATOM 0 HA PRO A 14 5.459 2.385 -9.215 1.00 31.21 H new ATOM 0 HB2 PRO A 14 5.712 4.171 -11.640 1.00 73.24 H new ATOM 0 HB3 PRO A 14 4.246 3.696 -10.805 1.00 73.24 H new ATOM 0 HG2 PRO A 14 5.171 6.200 -10.590 1.00 42.25 H new ATOM 0 HG3 PRO A 14 4.429 5.410 -9.212 1.00 42.25 H new ATOM 0 HD2 PRO A 14 7.372 5.829 -9.789 1.00 65.21 H new ATOM 0 HD3 PRO A 14 6.517 6.006 -8.269 1.00 65.21 H new ATOM 228 N GLU A 15 7.579 1.170 -10.002 1.00 10.12 N ATOM 229 CA GLU A 15 8.469 0.228 -10.691 1.00 60.32 C ATOM 230 C GLU A 15 8.164 -1.226 -10.293 1.00 43.34 C ATOM 231 O GLU A 15 7.435 -1.929 -10.994 1.00 32.02 O ATOM 232 CB GLU A 15 9.940 0.559 -10.393 1.00 44.13 C ATOM 233 CG GLU A 15 10.406 1.898 -10.955 1.00 64.51 C ATOM 234 CD GLU A 15 11.848 2.216 -10.593 1.00 1.21 C ATOM 235 OE1 GLU A 15 12.762 1.586 -11.164 1.00 34.31 O ATOM 236 OE2 GLU A 15 12.078 3.093 -9.734 1.00 12.42 O ATOM 0 H GLU A 15 7.457 0.976 -9.008 1.00 10.12 H new ATOM 0 HA GLU A 15 8.292 0.330 -11.762 1.00 60.32 H new ATOM 0 HB2 GLU A 15 10.089 0.559 -9.313 1.00 44.13 H new ATOM 0 HB3 GLU A 15 10.569 -0.232 -10.801 1.00 44.13 H new ATOM 0 HG2 GLU A 15 10.302 1.888 -12.040 1.00 64.51 H new ATOM 0 HG3 GLU A 15 9.758 2.690 -10.580 1.00 64.51 H new ATOM 243 N GLN A 16 8.701 -1.668 -9.154 1.00 52.25 N ATOM 244 CA GLN A 16 8.537 -3.058 -8.709 1.00 12.34 C ATOM 245 C GLN A 16 7.340 -3.207 -7.755 1.00 61.11 C ATOM 246 O GLN A 16 7.500 -3.353 -6.540 1.00 12.04 O ATOM 247 CB GLN A 16 9.834 -3.565 -8.046 1.00 32.51 C ATOM 248 CG GLN A 16 9.801 -5.032 -7.615 1.00 73.22 C ATOM 249 CD GLN A 16 9.512 -5.986 -8.765 1.00 42.23 C ATOM 250 OE1 GLN A 16 10.415 -6.441 -9.455 1.00 54.41 O ATOM 251 NE2 GLN A 16 8.252 -6.314 -8.965 1.00 55.52 N ATOM 0 H GLN A 16 9.252 -1.087 -8.523 1.00 52.25 H new ATOM 0 HA GLN A 16 8.332 -3.670 -9.587 1.00 12.34 H new ATOM 0 HB2 GLN A 16 10.661 -3.424 -8.742 1.00 32.51 H new ATOM 0 HB3 GLN A 16 10.044 -2.948 -7.172 1.00 32.51 H new ATOM 0 HG2 GLN A 16 10.759 -5.294 -7.165 1.00 73.22 H new ATOM 0 HG3 GLN A 16 9.041 -5.161 -6.844 1.00 73.22 H new ATOM 0 HE21 GLN A 16 7.522 -5.918 -8.373 1.00 55.52 H new ATOM 0 HE22 GLN A 16 8.007 -6.964 -9.712 1.00 55.52 H new ATOM 260 N TRP A 17 6.134 -3.160 -8.315 1.00 24.43 N ATOM 261 CA TRP A 17 4.908 -3.298 -7.522 1.00 74.11 C ATOM 262 C TRP A 17 4.343 -4.722 -7.582 1.00 72.02 C ATOM 263 O TRP A 17 3.565 -5.073 -8.473 1.00 72.33 O ATOM 264 CB TRP A 17 3.860 -2.264 -7.959 1.00 34.30 C ATOM 265 CG TRP A 17 4.143 -0.903 -7.395 1.00 64.42 C ATOM 266 CD1 TRP A 17 4.798 0.131 -8.001 1.00 55.44 C ATOM 267 CD2 TRP A 17 3.799 -0.446 -6.084 1.00 43.25 C ATOM 268 NE1 TRP A 17 4.876 1.203 -7.145 1.00 40.12 N ATOM 269 CE2 TRP A 17 4.269 0.872 -5.962 1.00 44.14 C ATOM 270 CE3 TRP A 17 3.136 -1.029 -4.999 1.00 10.01 C ATOM 271 CZ2 TRP A 17 4.094 1.619 -4.804 1.00 63.40 C ATOM 272 CZ3 TRP A 17 2.964 -0.286 -3.847 1.00 2.21 C ATOM 273 CH2 TRP A 17 3.443 1.026 -3.756 1.00 23.21 C ATOM 0 H TRP A 17 5.976 -3.028 -9.314 1.00 24.43 H new ATOM 0 HA TRP A 17 5.167 -3.104 -6.481 1.00 74.11 H new ATOM 0 HB2 TRP A 17 3.838 -2.208 -9.047 1.00 34.30 H new ATOM 0 HB3 TRP A 17 2.872 -2.591 -7.637 1.00 34.30 H new ATOM 0 HD1 TRP A 17 5.196 0.109 -9.005 1.00 55.44 H new ATOM 0 HE1 TRP A 17 5.314 2.099 -7.356 1.00 40.12 H new ATOM 0 HE3 TRP A 17 2.765 -2.042 -5.061 1.00 10.01 H new ATOM 0 HZ2 TRP A 17 4.459 2.633 -4.733 1.00 63.40 H new ATOM 0 HZ3 TRP A 17 2.452 -0.724 -3.003 1.00 2.21 H new ATOM 0 HH2 TRP A 17 3.296 1.581 -2.841 1.00 23.21 H new ATOM 284 N SER A 18 4.771 -5.541 -6.626 1.00 23.45 N ATOM 285 CA SER A 18 4.280 -6.916 -6.488 1.00 52.45 C ATOM 286 C SER A 18 3.247 -7.011 -5.356 1.00 73.11 C ATOM 287 O SER A 18 2.996 -6.033 -4.648 1.00 24.13 O ATOM 288 CB SER A 18 5.453 -7.868 -6.203 1.00 34.12 C ATOM 289 OG SER A 18 6.455 -7.771 -7.204 1.00 44.23 O ATOM 0 H SER A 18 5.464 -5.276 -5.926 1.00 23.45 H new ATOM 0 HA SER A 18 3.800 -7.205 -7.423 1.00 52.45 H new ATOM 0 HB2 SER A 18 5.885 -7.634 -5.230 1.00 34.12 H new ATOM 0 HB3 SER A 18 5.087 -8.893 -6.151 1.00 34.12 H new ATOM 0 HG SER A 18 7.188 -8.387 -6.994 1.00 44.23 H new ATOM 295 N HIS A 19 2.654 -8.193 -5.180 1.00 74.14 N ATOM 296 CA HIS A 19 1.684 -8.423 -4.096 1.00 3.13 C ATOM 297 C HIS A 19 2.282 -8.064 -2.722 1.00 35.34 C ATOM 298 O HIS A 19 1.633 -7.418 -1.896 1.00 70.32 O ATOM 299 CB HIS A 19 1.209 -9.884 -4.104 1.00 54.21 C ATOM 300 CG HIS A 19 0.349 -10.242 -5.283 1.00 63.40 C ATOM 301 ND1 HIS A 19 0.844 -10.452 -6.550 1.00 44.05 N ATOM 302 CD2 HIS A 19 -0.989 -10.440 -5.374 1.00 23.31 C ATOM 303 CE1 HIS A 19 -0.143 -10.761 -7.363 1.00 4.51 C ATOM 304 NE2 HIS A 19 -1.269 -10.762 -6.680 1.00 2.12 N ATOM 0 H HIS A 19 2.825 -9.007 -5.770 1.00 74.14 H new ATOM 0 HA HIS A 19 0.828 -7.771 -4.271 1.00 3.13 H new ATOM 0 HB2 HIS A 19 2.081 -10.538 -4.091 1.00 54.21 H new ATOM 0 HB3 HIS A 19 0.651 -10.079 -3.188 1.00 54.21 H new ATOM 0 HD2 HIS A 19 -1.703 -10.359 -4.568 1.00 23.31 H new ATOM 0 HE1 HIS A 19 -0.046 -10.978 -8.417 1.00 4.51 H new ATOM 0 HE2 HIS A 19 -2.194 -10.967 -7.057 1.00 2.12 H new ATOM 313 N THR A 20 3.526 -8.483 -2.492 1.00 44.23 N ATOM 314 CA THR A 20 4.238 -8.176 -1.240 1.00 73.13 C ATOM 315 C THR A 20 4.508 -6.667 -1.091 1.00 71.44 C ATOM 316 O THR A 20 4.384 -6.110 0.001 1.00 32.33 O ATOM 317 CB THR A 20 5.584 -8.942 -1.158 1.00 4.11 C ATOM 318 OG1 THR A 20 5.356 -10.351 -1.330 1.00 13.31 O ATOM 319 CG2 THR A 20 6.281 -8.697 0.178 1.00 42.02 C ATOM 0 H THR A 20 4.068 -9.038 -3.155 1.00 44.23 H new ATOM 0 HA THR A 20 3.588 -8.498 -0.426 1.00 73.13 H new ATOM 0 HB THR A 20 6.230 -8.573 -1.954 1.00 4.11 H new ATOM 0 HG1 THR A 20 6.210 -10.829 -1.279 1.00 13.31 H new ATOM 0 HG21 THR A 20 7.221 -9.248 0.204 1.00 42.02 H new ATOM 0 HG22 THR A 20 6.481 -7.632 0.294 1.00 42.02 H new ATOM 0 HG23 THR A 20 5.639 -9.036 0.991 1.00 42.02 H new ATOM 327 N THR A 21 4.865 -6.012 -2.198 1.00 4.43 N ATOM 328 CA THR A 21 5.167 -4.569 -2.194 1.00 25.32 C ATOM 329 C THR A 21 3.990 -3.750 -1.640 1.00 32.42 C ATOM 330 O THR A 21 4.179 -2.839 -0.830 1.00 0.14 O ATOM 331 CB THR A 21 5.499 -4.046 -3.617 1.00 13.33 C ATOM 332 OG1 THR A 21 6.480 -4.888 -4.242 1.00 43.23 O ATOM 333 CG2 THR A 21 6.022 -2.612 -3.572 1.00 3.34 C ATOM 0 H THR A 21 4.954 -6.454 -3.113 1.00 4.43 H new ATOM 0 HA THR A 21 6.038 -4.444 -1.550 1.00 25.32 H new ATOM 0 HB THR A 21 4.577 -4.064 -4.198 1.00 13.33 H new ATOM 0 HG1 THR A 21 6.891 -4.410 -4.992 1.00 43.23 H new ATOM 0 HG21 THR A 21 6.246 -2.274 -4.584 1.00 3.34 H new ATOM 0 HG22 THR A 21 5.266 -1.962 -3.131 1.00 3.34 H new ATOM 0 HG23 THR A 21 6.929 -2.574 -2.968 1.00 3.34 H new ATOM 341 N VAL A 22 2.780 -4.089 -2.084 1.00 54.43 N ATOM 342 CA VAL A 22 1.560 -3.410 -1.627 1.00 41.41 C ATOM 343 C VAL A 22 1.348 -3.581 -0.110 1.00 63.34 C ATOM 344 O VAL A 22 1.130 -2.604 0.611 1.00 75.33 O ATOM 345 CB VAL A 22 0.311 -3.939 -2.380 1.00 45.52 C ATOM 346 CG1 VAL A 22 -0.953 -3.207 -1.931 1.00 13.31 C ATOM 347 CG2 VAL A 22 0.500 -3.820 -3.894 1.00 34.42 C ATOM 0 H VAL A 22 2.615 -4.832 -2.762 1.00 54.43 H new ATOM 0 HA VAL A 22 1.690 -2.350 -1.845 1.00 41.41 H new ATOM 0 HB VAL A 22 0.192 -4.994 -2.133 1.00 45.52 H new ATOM 0 HG11 VAL A 22 -1.813 -3.598 -2.475 1.00 13.31 H new ATOM 0 HG12 VAL A 22 -1.101 -3.358 -0.862 1.00 13.31 H new ATOM 0 HG13 VAL A 22 -0.848 -2.141 -2.135 1.00 13.31 H new ATOM 0 HG21 VAL A 22 -0.388 -4.197 -4.402 1.00 34.42 H new ATOM 0 HG22 VAL A 22 0.654 -2.774 -4.160 1.00 34.42 H new ATOM 0 HG23 VAL A 22 1.368 -4.404 -4.199 1.00 34.42 H new ATOM 357 N ARG A 23 1.427 -4.824 0.367 1.00 43.54 N ATOM 358 CA ARG A 23 1.238 -5.125 1.793 1.00 53.44 C ATOM 359 C ARG A 23 2.274 -4.399 2.670 1.00 74.33 C ATOM 360 O ARG A 23 1.938 -3.856 3.724 1.00 21.30 O ATOM 361 CB ARG A 23 1.320 -6.642 2.032 1.00 63.01 C ATOM 362 CG ARG A 23 1.076 -7.055 3.483 1.00 42.44 C ATOM 363 CD ARG A 23 1.208 -8.565 3.683 1.00 14.30 C ATOM 364 NE ARG A 23 0.207 -9.321 2.925 1.00 62.23 N ATOM 365 CZ ARG A 23 0.182 -10.627 2.839 1.00 42.35 C ATOM 366 NH1 ARG A 23 1.059 -11.346 3.469 1.00 35.03 N ATOM 367 NH2 ARG A 23 -0.734 -11.214 2.139 1.00 34.04 N ATOM 0 H ARG A 23 1.621 -5.642 -0.211 1.00 43.54 H new ATOM 0 HA ARG A 23 0.249 -4.766 2.077 1.00 53.44 H new ATOM 0 HB2 ARG A 23 0.589 -7.140 1.395 1.00 63.01 H new ATOM 0 HB3 ARG A 23 2.304 -6.996 1.725 1.00 63.01 H new ATOM 0 HG2 ARG A 23 1.787 -6.541 4.130 1.00 42.44 H new ATOM 0 HG3 ARG A 23 0.079 -6.736 3.787 1.00 42.44 H new ATOM 0 HD2 ARG A 23 2.205 -8.883 3.379 1.00 14.30 H new ATOM 0 HD3 ARG A 23 1.108 -8.798 4.743 1.00 14.30 H new ATOM 0 HE ARG A 23 -0.516 -8.796 2.433 1.00 62.23 H new ATOM 0 HH11 ARG A 23 1.776 -10.894 4.037 1.00 35.03 H new ATOM 0 HH12 ARG A 23 1.032 -12.363 3.396 1.00 35.03 H new ATOM 0 HH21 ARG A 23 -1.438 -10.659 1.653 1.00 34.04 H new ATOM 0 HH22 ARG A 23 -0.752 -12.232 2.073 1.00 34.04 H new ATOM 381 N ASN A 24 3.531 -4.388 2.220 1.00 54.12 N ATOM 382 CA ASN A 24 4.620 -3.722 2.956 1.00 43.15 C ATOM 383 C ASN A 24 4.370 -2.207 3.086 1.00 55.31 C ATOM 384 O ASN A 24 4.831 -1.568 4.035 1.00 41.24 O ATOM 385 CB ASN A 24 5.963 -3.982 2.256 1.00 35.22 C ATOM 386 CG ASN A 24 7.137 -3.333 2.976 1.00 55.53 C ATOM 387 OD1 ASN A 24 7.710 -3.907 3.896 1.00 2.24 O ATOM 388 ND2 ASN A 24 7.510 -2.138 2.559 1.00 1.21 N ATOM 0 H ASN A 24 3.825 -4.832 1.350 1.00 54.12 H new ATOM 0 HA ASN A 24 4.652 -4.140 3.962 1.00 43.15 H new ATOM 0 HB2 ASN A 24 6.132 -5.057 2.191 1.00 35.22 H new ATOM 0 HB3 ASN A 24 5.915 -3.604 1.235 1.00 35.22 H new ATOM 0 HD21 ASN A 24 8.296 -1.665 3.005 1.00 1.21 H new ATOM 0 HD22 ASN A 24 7.012 -1.688 1.791 1.00 1.21 H new ATOM 395 N ALA A 25 3.639 -1.638 2.129 1.00 52.32 N ATOM 396 CA ALA A 25 3.306 -0.207 2.153 1.00 51.23 C ATOM 397 C ALA A 25 2.091 0.079 3.055 1.00 73.01 C ATOM 398 O ALA A 25 2.131 0.960 3.915 1.00 42.03 O ATOM 399 CB ALA A 25 3.042 0.297 0.735 1.00 22.31 C ATOM 0 H ALA A 25 3.264 -2.142 1.326 1.00 52.32 H new ATOM 0 HA ALA A 25 4.161 0.326 2.570 1.00 51.23 H new ATOM 0 HB1 ALA A 25 2.796 1.358 0.766 1.00 22.31 H new ATOM 0 HB2 ALA A 25 3.933 0.148 0.124 1.00 22.31 H new ATOM 0 HB3 ALA A 25 2.208 -0.256 0.302 1.00 22.31 H new ATOM 405 N LEU A 26 1.015 -0.683 2.857 1.00 73.03 N ATOM 406 CA LEU A 26 -0.241 -0.474 3.594 1.00 2.24 C ATOM 407 C LEU A 26 -0.112 -0.765 5.100 1.00 0.23 C ATOM 408 O LEU A 26 -0.849 -0.197 5.905 1.00 52.42 O ATOM 409 CB LEU A 26 -1.354 -1.351 3.002 1.00 5.53 C ATOM 410 CG LEU A 26 -1.801 -0.982 1.578 1.00 3.43 C ATOM 411 CD1 LEU A 26 -2.853 -1.966 1.073 1.00 51.51 C ATOM 412 CD2 LEU A 26 -2.337 0.448 1.541 1.00 40.41 C ATOM 0 H LEU A 26 0.984 -1.455 2.191 1.00 73.03 H new ATOM 0 HA LEU A 26 -0.490 0.582 3.486 1.00 2.24 H new ATOM 0 HB2 LEU A 26 -1.014 -2.387 3.000 1.00 5.53 H new ATOM 0 HB3 LEU A 26 -2.221 -1.301 3.661 1.00 5.53 H new ATOM 0 HG LEU A 26 -0.935 -1.041 0.918 1.00 3.43 H new ATOM 0 HD11 LEU A 26 -3.157 -1.688 0.064 1.00 51.51 H new ATOM 0 HD12 LEU A 26 -2.434 -2.972 1.062 1.00 51.51 H new ATOM 0 HD13 LEU A 26 -3.720 -1.941 1.733 1.00 51.51 H new ATOM 0 HD21 LEU A 26 -2.649 0.693 0.526 1.00 40.41 H new ATOM 0 HD22 LEU A 26 -3.190 0.534 2.214 1.00 40.41 H new ATOM 0 HD23 LEU A 26 -1.555 1.138 1.857 1.00 40.41 H new ATOM 424 N LYS A 27 0.821 -1.638 5.478 1.00 33.43 N ATOM 425 CA LYS A 27 0.930 -2.102 6.872 1.00 62.44 C ATOM 426 C LYS A 27 1.053 -0.939 7.887 1.00 15.43 C ATOM 427 O LYS A 27 0.485 -1.006 8.976 1.00 34.24 O ATOM 428 CB LYS A 27 2.095 -3.101 7.018 1.00 72.43 C ATOM 429 CG LYS A 27 3.489 -2.521 6.749 1.00 4.20 C ATOM 430 CD LYS A 27 4.183 -2.040 8.023 1.00 20.13 C ATOM 431 CE LYS A 27 4.459 -3.187 8.992 1.00 4.35 C ATOM 432 NZ LYS A 27 5.315 -4.241 8.384 1.00 50.22 N ATOM 0 H LYS A 27 1.513 -2.040 4.846 1.00 33.43 H new ATOM 0 HA LYS A 27 -0.002 -2.614 7.112 1.00 62.44 H new ATOM 0 HB2 LYS A 27 2.078 -3.510 8.028 1.00 72.43 H new ATOM 0 HB3 LYS A 27 1.927 -3.933 6.334 1.00 72.43 H new ATOM 0 HG2 LYS A 27 4.107 -3.279 6.268 1.00 4.20 H new ATOM 0 HG3 LYS A 27 3.403 -1.689 6.050 1.00 4.20 H new ATOM 0 HD2 LYS A 27 5.122 -1.552 7.762 1.00 20.13 H new ATOM 0 HD3 LYS A 27 3.561 -1.292 8.514 1.00 20.13 H new ATOM 0 HE2 LYS A 27 4.946 -2.797 9.886 1.00 4.35 H new ATOM 0 HE3 LYS A 27 3.514 -3.627 9.310 1.00 4.35 H new ATOM 0 HZ1 LYS A 27 5.658 -4.882 9.128 1.00 50.22 H new ATOM 0 HZ2 LYS A 27 4.760 -4.781 7.690 1.00 50.22 H new ATOM 0 HZ3 LYS A 27 6.127 -3.798 7.908 1.00 50.22 H new ATOM 446 N ASP A 28 1.780 0.127 7.530 1.00 25.40 N ATOM 447 CA ASP A 28 1.928 1.289 8.424 1.00 2.11 C ATOM 448 C ASP A 28 0.654 2.146 8.463 1.00 13.51 C ATOM 449 O ASP A 28 0.300 2.699 9.509 1.00 43.24 O ATOM 450 CB ASP A 28 3.135 2.146 8.024 1.00 74.12 C ATOM 451 CG ASP A 28 4.450 1.505 8.434 1.00 35.21 C ATOM 452 OD1 ASP A 28 4.707 1.399 9.656 1.00 40.34 O ATOM 453 OD2 ASP A 28 5.236 1.110 7.548 1.00 53.21 O ATOM 0 H ASP A 28 2.271 0.212 6.640 1.00 25.40 H new ATOM 0 HA ASP A 28 2.098 0.898 9.427 1.00 2.11 H new ATOM 0 HB2 ASP A 28 3.128 2.301 6.945 1.00 74.12 H new ATOM 0 HB3 ASP A 28 3.051 3.129 8.487 1.00 74.12 H new ATOM 458 N LEU A 29 -0.033 2.257 7.331 1.00 43.44 N ATOM 459 CA LEU A 29 -1.303 2.992 7.274 1.00 33.33 C ATOM 460 C LEU A 29 -2.394 2.245 8.055 1.00 50.42 C ATOM 461 O LEU A 29 -3.228 2.856 8.718 1.00 14.15 O ATOM 462 CB LEU A 29 -1.748 3.215 5.819 1.00 12.44 C ATOM 463 CG LEU A 29 -0.922 4.237 5.008 1.00 61.34 C ATOM 464 CD1 LEU A 29 -0.872 5.585 5.722 1.00 21.40 C ATOM 465 CD2 LEU A 29 0.487 3.716 4.736 1.00 24.23 C ATOM 0 H LEU A 29 0.261 1.852 6.442 1.00 43.44 H new ATOM 0 HA LEU A 29 -1.147 3.967 7.736 1.00 33.33 H new ATOM 0 HB2 LEU A 29 -1.716 2.257 5.299 1.00 12.44 H new ATOM 0 HB3 LEU A 29 -2.788 3.540 5.824 1.00 12.44 H new ATOM 0 HG LEU A 29 -1.418 4.378 4.048 1.00 61.34 H new ATOM 0 HD11 LEU A 29 -0.285 6.288 5.131 1.00 21.40 H new ATOM 0 HD12 LEU A 29 -1.884 5.970 5.843 1.00 21.40 H new ATOM 0 HD13 LEU A 29 -0.411 5.461 6.702 1.00 21.40 H new ATOM 0 HD21 LEU A 29 1.045 4.457 4.163 1.00 24.23 H new ATOM 0 HD22 LEU A 29 0.995 3.531 5.682 1.00 24.23 H new ATOM 0 HD23 LEU A 29 0.428 2.788 4.168 1.00 24.23 H new ATOM 477 N LEU A 30 -2.362 0.917 7.974 1.00 42.14 N ATOM 478 CA LEU A 30 -3.287 0.053 8.719 1.00 62.12 C ATOM 479 C LEU A 30 -3.105 0.222 10.240 1.00 23.51 C ATOM 480 O LEU A 30 -4.062 0.137 11.013 1.00 51.11 O ATOM 481 CB LEU A 30 -3.035 -1.411 8.332 1.00 33.55 C ATOM 482 CG LEU A 30 -4.002 -2.435 8.946 1.00 55.33 C ATOM 483 CD1 LEU A 30 -5.386 -2.315 8.313 1.00 34.23 C ATOM 484 CD2 LEU A 30 -3.453 -3.852 8.797 1.00 23.34 C ATOM 0 H LEU A 30 -1.697 0.406 7.393 1.00 42.14 H new ATOM 0 HA LEU A 30 -4.307 0.339 8.464 1.00 62.12 H new ATOM 0 HB2 LEU A 30 -3.086 -1.495 7.246 1.00 33.55 H new ATOM 0 HB3 LEU A 30 -2.019 -1.676 8.625 1.00 33.55 H new ATOM 0 HG LEU A 30 -4.098 -2.221 10.011 1.00 55.33 H new ATOM 0 HD11 LEU A 30 -6.056 -3.049 8.761 1.00 34.23 H new ATOM 0 HD12 LEU A 30 -5.779 -1.313 8.484 1.00 34.23 H new ATOM 0 HD13 LEU A 30 -5.313 -2.498 7.241 1.00 34.23 H new ATOM 0 HD21 LEU A 30 -4.153 -4.562 9.238 1.00 23.34 H new ATOM 0 HD22 LEU A 30 -3.321 -4.082 7.740 1.00 23.34 H new ATOM 0 HD23 LEU A 30 -2.492 -3.925 9.307 1.00 23.34 H new ATOM 496 N LYS A 31 -1.856 0.433 10.654 1.00 54.04 N ATOM 497 CA LYS A 31 -1.519 0.666 12.063 1.00 15.53 C ATOM 498 C LYS A 31 -2.154 1.959 12.603 1.00 62.10 C ATOM 499 O LYS A 31 -2.554 2.026 13.768 1.00 32.04 O ATOM 500 CB LYS A 31 0.008 0.744 12.224 1.00 63.12 C ATOM 501 CG LYS A 31 0.727 -0.594 12.064 1.00 51.44 C ATOM 502 CD LYS A 31 2.217 -0.408 11.763 1.00 51.22 C ATOM 503 CE LYS A 31 2.886 0.569 12.725 1.00 62.11 C ATOM 504 NZ LYS A 31 4.316 0.786 12.384 1.00 14.12 N ATOM 0 H LYS A 31 -1.051 0.448 10.028 1.00 54.04 H new ATOM 0 HA LYS A 31 -1.919 -0.169 12.638 1.00 15.53 H new ATOM 0 HB2 LYS A 31 0.403 1.446 11.490 1.00 63.12 H new ATOM 0 HB3 LYS A 31 0.237 1.151 13.209 1.00 63.12 H new ATOM 0 HG2 LYS A 31 0.611 -1.180 12.976 1.00 51.44 H new ATOM 0 HG3 LYS A 31 0.262 -1.162 11.259 1.00 51.44 H new ATOM 0 HD2 LYS A 31 2.720 -1.373 11.821 1.00 51.22 H new ATOM 0 HD3 LYS A 31 2.336 -0.047 10.741 1.00 51.22 H new ATOM 0 HE2 LYS A 31 2.358 1.522 12.701 1.00 62.11 H new ATOM 0 HE3 LYS A 31 2.809 0.187 13.743 1.00 62.11 H new ATOM 0 HZ1 LYS A 31 4.709 1.530 12.995 1.00 14.12 H new ATOM 0 HZ2 LYS A 31 4.845 -0.097 12.530 1.00 14.12 H new ATOM 0 HZ3 LYS A 31 4.395 1.077 11.389 1.00 14.12 H new ATOM 518 N ASP A 32 -2.242 2.979 11.754 1.00 33.23 N ATOM 519 CA ASP A 32 -2.725 4.297 12.174 1.00 53.24 C ATOM 520 C ASP A 32 -4.213 4.510 11.840 1.00 21.12 C ATOM 521 O ASP A 32 -5.030 4.771 12.729 1.00 25.25 O ATOM 522 CB ASP A 32 -1.875 5.388 11.519 1.00 15.10 C ATOM 523 CG ASP A 32 -2.313 6.781 11.927 1.00 62.22 C ATOM 524 OD1 ASP A 32 -2.105 7.149 13.101 1.00 0.02 O ATOM 525 OD2 ASP A 32 -2.885 7.504 11.087 1.00 3.01 O ATOM 0 H ASP A 32 -1.985 2.921 10.769 1.00 33.23 H new ATOM 0 HA ASP A 32 -2.630 4.353 13.258 1.00 53.24 H new ATOM 0 HB2 ASP A 32 -0.830 5.244 11.792 1.00 15.10 H new ATOM 0 HB3 ASP A 32 -1.938 5.293 10.435 1.00 15.10 H new ATOM 530 N MET A 33 -4.557 4.405 10.561 1.00 50.52 N ATOM 531 CA MET A 33 -5.924 4.664 10.103 1.00 15.40 C ATOM 532 C MET A 33 -6.842 3.456 10.345 1.00 72.31 C ATOM 533 O MET A 33 -6.441 2.308 10.163 1.00 45.42 O ATOM 534 CB MET A 33 -5.922 5.026 8.612 1.00 62.30 C ATOM 535 CG MET A 33 -7.297 5.409 8.073 1.00 33.50 C ATOM 536 SD MET A 33 -7.289 5.764 6.304 1.00 1.02 S ATOM 537 CE MET A 33 -6.122 7.122 6.220 1.00 45.23 C ATOM 0 H MET A 33 -3.909 4.142 9.819 1.00 50.52 H new ATOM 0 HA MET A 33 -6.313 5.502 10.681 1.00 15.40 H new ATOM 0 HB2 MET A 33 -5.234 5.855 8.449 1.00 62.30 H new ATOM 0 HB3 MET A 33 -5.541 4.179 8.042 1.00 62.30 H new ATOM 0 HG2 MET A 33 -7.998 4.598 8.272 1.00 33.50 H new ATOM 0 HG3 MET A 33 -7.661 6.284 8.612 1.00 33.50 H new ATOM 0 HE1 MET A 33 -6.210 7.618 5.254 1.00 45.23 H new ATOM 0 HE2 MET A 33 -6.337 7.836 7.015 1.00 45.23 H new ATOM 0 HE3 MET A 33 -5.109 6.739 6.340 1.00 45.23 H new ATOM 547 N ASN A 34 -8.081 3.725 10.757 1.00 23.01 N ATOM 548 CA ASN A 34 -9.070 2.662 10.972 1.00 72.11 C ATOM 549 C ASN A 34 -9.323 1.858 9.681 1.00 53.55 C ATOM 550 O ASN A 34 -9.481 2.429 8.597 1.00 54.35 O ATOM 551 CB ASN A 34 -10.384 3.252 11.495 1.00 64.44 C ATOM 552 CG ASN A 34 -10.221 3.908 12.856 1.00 22.41 C ATOM 553 OD1 ASN A 34 -10.364 3.266 13.893 1.00 34.54 O ATOM 554 ND2 ASN A 34 -9.921 5.190 12.869 1.00 60.33 N ATOM 0 H ASN A 34 -8.425 4.666 10.949 1.00 23.01 H new ATOM 0 HA ASN A 34 -8.666 1.979 11.719 1.00 72.11 H new ATOM 0 HB2 ASN A 34 -10.759 3.987 10.783 1.00 64.44 H new ATOM 0 HB3 ASN A 34 -11.133 2.463 11.562 1.00 64.44 H new ATOM 0 HD21 ASN A 34 -9.801 5.677 13.757 1.00 60.33 H new ATOM 0 HD22 ASN A 34 -9.809 5.696 11.991 1.00 60.33 H new ATOM 561 N GLN A 35 -9.377 0.532 9.814 1.00 31.51 N ATOM 562 CA GLN A 35 -9.519 -0.381 8.665 1.00 4.25 C ATOM 563 C GLN A 35 -10.696 -0.005 7.747 1.00 73.34 C ATOM 564 O GLN A 35 -10.560 0.006 6.524 1.00 54.13 O ATOM 565 CB GLN A 35 -9.692 -1.823 9.172 1.00 24.04 C ATOM 566 CG GLN A 35 -8.543 -2.305 10.057 1.00 51.01 C ATOM 567 CD GLN A 35 -8.753 -3.714 10.594 1.00 40.24 C ATOM 568 OE1 GLN A 35 -9.324 -3.907 11.662 1.00 32.43 O ATOM 569 NE2 GLN A 35 -8.284 -4.708 9.867 1.00 31.33 N ATOM 0 H GLN A 35 -9.324 0.056 10.715 1.00 31.51 H new ATOM 0 HA GLN A 35 -8.611 -0.295 8.069 1.00 4.25 H new ATOM 0 HB2 GLN A 35 -10.624 -1.892 9.732 1.00 24.04 H new ATOM 0 HB3 GLN A 35 -9.784 -2.491 8.316 1.00 24.04 H new ATOM 0 HG2 GLN A 35 -7.615 -2.275 9.486 1.00 51.01 H new ATOM 0 HG3 GLN A 35 -8.424 -1.617 10.894 1.00 51.01 H new ATOM 0 HE21 GLN A 35 -7.814 -4.515 8.983 1.00 31.33 H new ATOM 0 HE22 GLN A 35 -8.391 -5.670 10.189 1.00 31.33 H new ATOM 578 N SER A 36 -11.843 0.310 8.341 1.00 34.40 N ATOM 579 CA SER A 36 -13.054 0.644 7.569 1.00 11.55 C ATOM 580 C SER A 36 -12.933 1.997 6.837 1.00 14.42 C ATOM 581 O SER A 36 -13.768 2.332 5.999 1.00 64.24 O ATOM 582 CB SER A 36 -14.283 0.660 8.491 1.00 10.32 C ATOM 583 OG SER A 36 -14.467 -0.599 9.129 1.00 53.32 O ATOM 0 H SER A 36 -11.968 0.343 9.353 1.00 34.40 H new ATOM 0 HA SER A 36 -13.171 -0.129 6.809 1.00 11.55 H new ATOM 0 HB2 SER A 36 -14.165 1.438 9.245 1.00 10.32 H new ATOM 0 HB3 SER A 36 -15.172 0.910 7.912 1.00 10.32 H new ATOM 0 HG SER A 36 -15.255 -0.559 9.711 1.00 53.32 H new ATOM 589 N SER A 37 -11.896 2.775 7.154 1.00 53.51 N ATOM 590 CA SER A 37 -11.683 4.090 6.515 1.00 55.21 C ATOM 591 C SER A 37 -10.605 4.031 5.422 1.00 53.20 C ATOM 592 O SER A 37 -10.681 4.747 4.422 1.00 41.12 O ATOM 593 CB SER A 37 -11.289 5.139 7.561 1.00 52.21 C ATOM 594 OG SER A 37 -11.105 6.419 6.966 1.00 31.32 O ATOM 0 H SER A 37 -11.189 2.525 7.846 1.00 53.51 H new ATOM 0 HA SER A 37 -12.626 4.373 6.048 1.00 55.21 H new ATOM 0 HB2 SER A 37 -12.062 5.200 8.327 1.00 52.21 H new ATOM 0 HB3 SER A 37 -10.369 4.832 8.059 1.00 52.21 H new ATOM 0 HG SER A 37 -10.856 7.068 7.657 1.00 31.32 H new ATOM 600 N LEU A 38 -9.607 3.172 5.618 1.00 61.43 N ATOM 601 CA LEU A 38 -8.480 3.033 4.679 1.00 44.30 C ATOM 602 C LEU A 38 -8.971 2.809 3.233 1.00 44.25 C ATOM 603 O LEU A 38 -8.475 3.430 2.287 1.00 51.52 O ATOM 604 CB LEU A 38 -7.576 1.865 5.146 1.00 45.52 C ATOM 605 CG LEU A 38 -6.146 1.801 4.552 1.00 14.34 C ATOM 606 CD1 LEU A 38 -6.154 1.350 3.090 1.00 43.43 C ATOM 607 CD2 LEU A 38 -5.443 3.154 4.696 1.00 33.31 C ATOM 0 H LEU A 38 -9.550 2.552 6.426 1.00 61.43 H new ATOM 0 HA LEU A 38 -7.905 3.959 4.677 1.00 44.30 H new ATOM 0 HB2 LEU A 38 -7.490 1.916 6.231 1.00 45.52 H new ATOM 0 HB3 LEU A 38 -8.083 0.929 4.910 1.00 45.52 H new ATOM 0 HG LEU A 38 -5.590 1.054 5.119 1.00 14.34 H new ATOM 0 HD11 LEU A 38 -5.132 1.319 2.713 1.00 43.43 H new ATOM 0 HD12 LEU A 38 -6.598 0.357 3.018 1.00 43.43 H new ATOM 0 HD13 LEU A 38 -6.739 2.052 2.496 1.00 43.43 H new ATOM 0 HD21 LEU A 38 -4.440 3.090 4.273 1.00 33.31 H new ATOM 0 HD22 LEU A 38 -6.012 3.918 4.166 1.00 33.31 H new ATOM 0 HD23 LEU A 38 -5.376 3.419 5.751 1.00 33.31 H new ATOM 619 N ALA A 39 -9.976 1.947 3.075 1.00 62.34 N ATOM 620 CA ALA A 39 -10.489 1.571 1.747 1.00 14.23 C ATOM 621 C ALA A 39 -11.294 2.695 1.064 1.00 74.44 C ATOM 622 O ALA A 39 -11.813 2.508 -0.038 1.00 71.03 O ATOM 623 CB ALA A 39 -11.340 0.312 1.862 1.00 32.40 C ATOM 0 H ALA A 39 -10.456 1.491 3.851 1.00 62.34 H new ATOM 0 HA ALA A 39 -9.622 1.384 1.114 1.00 14.23 H new ATOM 0 HB1 ALA A 39 -11.718 0.037 0.877 1.00 32.40 H new ATOM 0 HB2 ALA A 39 -10.733 -0.502 2.258 1.00 32.40 H new ATOM 0 HB3 ALA A 39 -12.178 0.500 2.533 1.00 32.40 H new ATOM 629 N LYS A 40 -11.398 3.856 1.708 1.00 22.14 N ATOM 630 CA LYS A 40 -12.136 4.992 1.136 1.00 54.14 C ATOM 631 C LYS A 40 -11.271 5.794 0.149 1.00 63.22 C ATOM 632 O LYS A 40 -11.792 6.444 -0.763 1.00 54.14 O ATOM 633 CB LYS A 40 -12.653 5.908 2.253 1.00 1.04 C ATOM 634 CG LYS A 40 -13.663 5.231 3.174 1.00 50.11 C ATOM 635 CD LYS A 40 -14.125 6.159 4.293 1.00 43.33 C ATOM 636 CE LYS A 40 -15.203 5.511 5.155 1.00 61.32 C ATOM 637 NZ LYS A 40 -16.413 5.169 4.360 1.00 35.50 N ATOM 0 H LYS A 40 -10.984 4.039 2.622 1.00 22.14 H new ATOM 0 HA LYS A 40 -12.984 4.589 0.582 1.00 54.14 H new ATOM 0 HB2 LYS A 40 -11.808 6.257 2.847 1.00 1.04 H new ATOM 0 HB3 LYS A 40 -13.114 6.789 1.806 1.00 1.04 H new ATOM 0 HG2 LYS A 40 -14.526 4.908 2.591 1.00 50.11 H new ATOM 0 HG3 LYS A 40 -13.217 4.335 3.606 1.00 50.11 H new ATOM 0 HD2 LYS A 40 -13.273 6.428 4.917 1.00 43.33 H new ATOM 0 HD3 LYS A 40 -14.510 7.084 3.863 1.00 43.33 H new ATOM 0 HE2 LYS A 40 -14.805 4.608 5.618 1.00 61.32 H new ATOM 0 HE3 LYS A 40 -15.478 6.188 5.963 1.00 61.32 H new ATOM 0 HZ1 LYS A 40 -17.215 5.005 5.002 1.00 35.50 H new ATOM 0 HZ2 LYS A 40 -16.639 5.954 3.717 1.00 35.50 H new ATOM 0 HZ3 LYS A 40 -16.232 4.308 3.805 1.00 35.50 H new ATOM 651 N GLU A 41 -9.954 5.753 0.338 1.00 25.23 N ATOM 652 CA GLU A 41 -9.021 6.429 -0.576 1.00 64.34 C ATOM 653 C GLU A 41 -8.429 5.448 -1.601 1.00 42.14 C ATOM 654 O GLU A 41 -8.406 5.730 -2.799 1.00 24.44 O ATOM 655 CB GLU A 41 -7.892 7.124 0.204 1.00 75.52 C ATOM 656 CG GLU A 41 -8.370 8.279 1.081 1.00 32.04 C ATOM 657 CD GLU A 41 -7.224 9.089 1.671 1.00 72.13 C ATOM 658 OE1 GLU A 41 -6.686 9.971 0.961 1.00 20.41 O ATOM 659 OE2 GLU A 41 -6.850 8.846 2.841 1.00 72.33 O ATOM 0 H GLU A 41 -9.505 5.262 1.111 1.00 25.23 H new ATOM 0 HA GLU A 41 -9.589 7.186 -1.117 1.00 64.34 H new ATOM 0 HB2 GLU A 41 -7.389 6.388 0.831 1.00 75.52 H new ATOM 0 HB3 GLU A 41 -7.152 7.499 -0.503 1.00 75.52 H new ATOM 0 HG2 GLU A 41 -9.007 8.937 0.490 1.00 32.04 H new ATOM 0 HG3 GLU A 41 -8.983 7.884 1.891 1.00 32.04 H new ATOM 666 N CYS A 42 -7.964 4.296 -1.122 1.00 41.14 N ATOM 667 CA CYS A 42 -7.371 3.268 -1.994 1.00 21.44 C ATOM 668 C CYS A 42 -8.451 2.459 -2.728 1.00 64.14 C ATOM 669 O CYS A 42 -9.466 2.092 -2.133 1.00 41.21 O ATOM 670 CB CYS A 42 -6.494 2.314 -1.176 1.00 21.43 C ATOM 671 SG CYS A 42 -7.408 1.301 0.013 1.00 44.53 S ATOM 0 H CYS A 42 -7.984 4.045 -0.134 1.00 41.14 H new ATOM 0 HA CYS A 42 -6.761 3.784 -2.735 1.00 21.44 H new ATOM 0 HB2 CYS A 42 -5.957 1.656 -1.859 1.00 21.43 H new ATOM 0 HB3 CYS A 42 -5.745 2.897 -0.640 1.00 21.43 H new ATOM 0 HG CYS A 42 -7.891 2.061 0.950 1.00 44.53 H new ATOM 677 N PRO A 43 -8.245 2.152 -4.028 1.00 1.14 N ATOM 678 CA PRO A 43 -9.205 1.363 -4.828 1.00 21.21 C ATOM 679 C PRO A 43 -9.193 -0.139 -4.468 1.00 71.10 C ATOM 680 O PRO A 43 -9.053 -1.006 -5.338 1.00 51.14 O ATOM 681 CB PRO A 43 -8.712 1.587 -6.265 1.00 23.44 C ATOM 682 CG PRO A 43 -7.244 1.807 -6.122 1.00 33.12 C ATOM 683 CD PRO A 43 -7.061 2.547 -4.821 1.00 34.22 C ATOM 0 HA PRO A 43 -10.236 1.672 -4.658 1.00 21.21 H new ATOM 0 HB2 PRO A 43 -8.925 0.725 -6.897 1.00 23.44 H new ATOM 0 HB3 PRO A 43 -9.200 2.447 -6.723 1.00 23.44 H new ATOM 0 HG2 PRO A 43 -6.706 0.859 -6.111 1.00 33.12 H new ATOM 0 HG3 PRO A 43 -6.853 2.386 -6.959 1.00 33.12 H new ATOM 0 HD2 PRO A 43 -6.133 2.263 -4.325 1.00 34.22 H new ATOM 0 HD3 PRO A 43 -7.023 3.625 -4.975 1.00 34.22 H new ATOM 691 N LEU A 44 -9.358 -0.437 -3.181 1.00 54.32 N ATOM 692 CA LEU A 44 -9.333 -1.814 -2.680 1.00 43.55 C ATOM 693 C LEU A 44 -10.587 -2.115 -1.845 1.00 61.31 C ATOM 694 O LEU A 44 -10.987 -1.310 -1.001 1.00 2.43 O ATOM 695 CB LEU A 44 -8.079 -2.045 -1.819 1.00 72.44 C ATOM 696 CG LEU A 44 -6.732 -1.746 -2.500 1.00 52.12 C ATOM 697 CD1 LEU A 44 -5.577 -1.949 -1.521 1.00 33.10 C ATOM 698 CD2 LEU A 44 -6.546 -2.614 -3.739 1.00 2.33 C ATOM 0 H LEU A 44 -9.512 0.264 -2.457 1.00 54.32 H new ATOM 0 HA LEU A 44 -9.312 -2.484 -3.539 1.00 43.55 H new ATOM 0 HB2 LEU A 44 -8.157 -1.427 -0.925 1.00 72.44 H new ATOM 0 HB3 LEU A 44 -8.075 -3.084 -1.489 1.00 72.44 H new ATOM 0 HG LEU A 44 -6.735 -0.702 -2.815 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -4.633 -1.733 -2.022 1.00 33.10 H new ATOM 0 HD12 LEU A 44 -5.699 -1.278 -0.671 1.00 33.10 H new ATOM 0 HD13 LEU A 44 -5.574 -2.981 -1.171 1.00 33.10 H new ATOM 0 HD21 LEU A 44 -5.587 -2.385 -4.203 1.00 2.33 H new ATOM 0 HD22 LEU A 44 -6.569 -3.666 -3.453 1.00 2.33 H new ATOM 0 HD23 LEU A 44 -7.349 -2.413 -4.448 1.00 2.33 H new ATOM 710 N SER A 45 -11.207 -3.269 -2.082 1.00 62.33 N ATOM 711 CA SER A 45 -12.366 -3.700 -1.287 1.00 31.12 C ATOM 712 C SER A 45 -11.978 -3.894 0.186 1.00 74.10 C ATOM 713 O SER A 45 -11.091 -4.689 0.502 1.00 15.04 O ATOM 714 CB SER A 45 -12.956 -5.005 -1.847 1.00 13.12 C ATOM 715 OG SER A 45 -13.466 -4.823 -3.162 1.00 61.23 O ATOM 0 H SER A 45 -10.931 -3.924 -2.814 1.00 62.33 H new ATOM 0 HA SER A 45 -13.121 -2.917 -1.349 1.00 31.12 H new ATOM 0 HB2 SER A 45 -12.188 -5.778 -1.857 1.00 13.12 H new ATOM 0 HB3 SER A 45 -13.753 -5.356 -1.192 1.00 13.12 H new ATOM 0 HG SER A 45 -13.832 -5.670 -3.491 1.00 61.23 H new ATOM 721 N GLN A 46 -12.654 -3.171 1.077 1.00 14.23 N ATOM 722 CA GLN A 46 -12.336 -3.184 2.513 1.00 41.25 C ATOM 723 C GLN A 46 -12.273 -4.616 3.073 1.00 73.01 C ATOM 724 O GLN A 46 -11.347 -4.960 3.812 1.00 44.24 O ATOM 725 CB GLN A 46 -13.376 -2.334 3.269 1.00 44.33 C ATOM 726 CG GLN A 46 -13.071 -2.086 4.751 1.00 3.32 C ATOM 727 CD GLN A 46 -13.590 -3.185 5.669 1.00 0.22 C ATOM 728 OE1 GLN A 46 -14.730 -3.142 6.119 1.00 63.11 O ATOM 729 NE2 GLN A 46 -12.767 -4.170 5.962 1.00 33.11 N ATOM 0 H GLN A 46 -13.434 -2.561 0.831 1.00 14.23 H new ATOM 0 HA GLN A 46 -11.345 -2.752 2.655 1.00 41.25 H new ATOM 0 HB2 GLN A 46 -13.466 -1.370 2.768 1.00 44.33 H new ATOM 0 HB3 GLN A 46 -14.346 -2.825 3.192 1.00 44.33 H new ATOM 0 HG2 GLN A 46 -11.993 -1.993 4.882 1.00 3.32 H new ATOM 0 HG3 GLN A 46 -13.511 -1.135 5.050 1.00 3.32 H new ATOM 0 HE21 GLN A 46 -11.824 -4.180 5.573 1.00 33.11 H new ATOM 0 HE22 GLN A 46 -13.072 -4.924 6.578 1.00 33.11 H new ATOM 738 N SER A 47 -13.249 -5.446 2.703 1.00 74.31 N ATOM 739 CA SER A 47 -13.284 -6.855 3.137 1.00 63.03 C ATOM 740 C SER A 47 -12.018 -7.613 2.708 1.00 32.45 C ATOM 741 O SER A 47 -11.514 -8.470 3.437 1.00 63.23 O ATOM 742 CB SER A 47 -14.525 -7.561 2.572 1.00 22.33 C ATOM 743 OG SER A 47 -14.562 -8.930 2.949 1.00 34.23 O ATOM 0 H SER A 47 -14.028 -5.173 2.104 1.00 74.31 H new ATOM 0 HA SER A 47 -13.330 -6.858 4.226 1.00 63.03 H new ATOM 0 HB2 SER A 47 -15.424 -7.060 2.930 1.00 22.33 H new ATOM 0 HB3 SER A 47 -14.527 -7.482 1.485 1.00 22.33 H new ATOM 0 HG SER A 47 -15.364 -9.351 2.575 1.00 34.23 H new ATOM 749 N MET A 48 -11.501 -7.295 1.522 1.00 71.21 N ATOM 750 CA MET A 48 -10.266 -7.921 1.037 1.00 12.24 C ATOM 751 C MET A 48 -9.060 -7.488 1.879 1.00 52.33 C ATOM 752 O MET A 48 -8.246 -8.317 2.269 1.00 71.41 O ATOM 753 CB MET A 48 -10.015 -7.582 -0.439 1.00 63.01 C ATOM 754 CG MET A 48 -11.023 -8.192 -1.401 1.00 73.05 C ATOM 755 SD MET A 48 -10.552 -7.947 -3.128 1.00 60.33 S ATOM 756 CE MET A 48 -11.869 -8.825 -3.972 1.00 52.30 C ATOM 0 H MET A 48 -11.911 -6.615 0.883 1.00 71.21 H new ATOM 0 HA MET A 48 -10.392 -9.000 1.132 1.00 12.24 H new ATOM 0 HB2 MET A 48 -10.026 -6.499 -0.558 1.00 63.01 H new ATOM 0 HB3 MET A 48 -9.016 -7.922 -0.713 1.00 63.01 H new ATOM 0 HG2 MET A 48 -11.116 -9.259 -1.199 1.00 73.05 H new ATOM 0 HG3 MET A 48 -12.003 -7.748 -1.227 1.00 73.05 H new ATOM 0 HE1 MET A 48 -11.716 -8.763 -5.049 1.00 52.30 H new ATOM 0 HE2 MET A 48 -11.864 -9.871 -3.665 1.00 52.30 H new ATOM 0 HE3 MET A 48 -12.828 -8.376 -3.716 1.00 52.30 H new ATOM 766 N ILE A 49 -8.960 -6.187 2.159 1.00 11.50 N ATOM 767 CA ILE A 49 -7.839 -5.640 2.940 1.00 11.04 C ATOM 768 C ILE A 49 -7.663 -6.383 4.277 1.00 65.32 C ATOM 769 O ILE A 49 -6.575 -6.867 4.598 1.00 34.41 O ATOM 770 CB ILE A 49 -8.036 -4.125 3.218 1.00 51.03 C ATOM 771 CG1 ILE A 49 -8.150 -3.344 1.895 1.00 31.15 C ATOM 772 CG2 ILE A 49 -6.891 -3.574 4.071 1.00 2.22 C ATOM 773 CD1 ILE A 49 -8.375 -1.854 2.076 1.00 24.01 C ATOM 0 H ILE A 49 -9.640 -5.489 1.858 1.00 11.50 H new ATOM 0 HA ILE A 49 -6.940 -5.781 2.340 1.00 11.04 H new ATOM 0 HB ILE A 49 -8.964 -3.999 3.775 1.00 51.03 H new ATOM 0 HG12 ILE A 49 -7.239 -3.496 1.316 1.00 31.15 H new ATOM 0 HG13 ILE A 49 -8.972 -3.757 1.311 1.00 31.15 H new ATOM 0 HG21 ILE A 49 -7.051 -2.511 4.252 1.00 2.22 H new ATOM 0 HG22 ILE A 49 -6.859 -4.104 5.023 1.00 2.22 H new ATOM 0 HG23 ILE A 49 -5.946 -3.714 3.546 1.00 2.22 H new ATOM 0 HD11 ILE A 49 -8.444 -1.375 1.099 1.00 24.01 H new ATOM 0 HD12 ILE A 49 -9.301 -1.690 2.627 1.00 24.01 H new ATOM 0 HD13 ILE A 49 -7.541 -1.425 2.632 1.00 24.01 H new ATOM 785 N SER A 50 -8.747 -6.481 5.044 1.00 73.42 N ATOM 786 CA SER A 50 -8.728 -7.185 6.333 1.00 74.24 C ATOM 787 C SER A 50 -8.419 -8.677 6.151 1.00 72.43 C ATOM 788 O SER A 50 -7.620 -9.255 6.895 1.00 22.13 O ATOM 789 CB SER A 50 -10.074 -7.009 7.047 1.00 14.25 C ATOM 790 OG SER A 50 -11.146 -7.345 6.185 1.00 12.33 O ATOM 0 H SER A 50 -9.653 -6.082 4.798 1.00 73.42 H new ATOM 0 HA SER A 50 -7.936 -6.750 6.943 1.00 74.24 H new ATOM 0 HB2 SER A 50 -10.105 -7.639 7.936 1.00 14.25 H new ATOM 0 HB3 SER A 50 -10.181 -5.978 7.383 1.00 14.25 H new ATOM 0 HG SER A 50 -11.996 -7.228 6.659 1.00 12.33 H new ATOM 796 N SER A 51 -9.048 -9.295 5.151 1.00 23.34 N ATOM 797 CA SER A 51 -8.808 -10.714 4.836 1.00 31.20 C ATOM 798 C SER A 51 -7.343 -10.977 4.445 1.00 52.43 C ATOM 799 O SER A 51 -6.796 -12.038 4.752 1.00 44.14 O ATOM 800 CB SER A 51 -9.739 -11.188 3.710 1.00 45.41 C ATOM 801 OG SER A 51 -11.095 -11.196 4.128 1.00 32.12 O ATOM 0 H SER A 51 -9.728 -8.840 4.542 1.00 23.34 H new ATOM 0 HA SER A 51 -9.022 -11.281 5.742 1.00 31.20 H new ATOM 0 HB2 SER A 51 -9.627 -10.535 2.844 1.00 45.41 H new ATOM 0 HB3 SER A 51 -9.448 -12.190 3.393 1.00 45.41 H new ATOM 0 HG SER A 51 -11.487 -10.310 3.983 1.00 32.12 H new ATOM 807 N ILE A 52 -6.713 -10.013 3.768 1.00 34.51 N ATOM 808 CA ILE A 52 -5.295 -10.118 3.388 1.00 31.14 C ATOM 809 C ILE A 52 -4.386 -10.088 4.626 1.00 73.41 C ATOM 810 O ILE A 52 -3.427 -10.853 4.726 1.00 73.22 O ATOM 811 CB ILE A 52 -4.876 -8.974 2.422 1.00 64.12 C ATOM 812 CG1 ILE A 52 -5.603 -9.111 1.074 1.00 30.04 C ATOM 813 CG2 ILE A 52 -3.360 -8.957 2.210 1.00 52.25 C ATOM 814 CD1 ILE A 52 -5.317 -7.981 0.101 1.00 0.14 C ATOM 0 H ILE A 52 -7.161 -9.147 3.469 1.00 34.51 H new ATOM 0 HA ILE A 52 -5.177 -11.073 2.876 1.00 31.14 H new ATOM 0 HB ILE A 52 -5.164 -8.028 2.880 1.00 64.12 H new ATOM 0 HG12 ILE A 52 -5.316 -10.056 0.612 1.00 30.04 H new ATOM 0 HG13 ILE A 52 -6.677 -9.158 1.255 1.00 30.04 H new ATOM 0 HG21 ILE A 52 -3.097 -8.147 1.530 1.00 52.25 H new ATOM 0 HG22 ILE A 52 -2.861 -8.805 3.167 1.00 52.25 H new ATOM 0 HG23 ILE A 52 -3.042 -9.908 1.782 1.00 52.25 H new ATOM 0 HD11 ILE A 52 -5.866 -8.151 -0.825 1.00 0.14 H new ATOM 0 HD12 ILE A 52 -5.631 -7.034 0.541 1.00 0.14 H new ATOM 0 HD13 ILE A 52 -4.249 -7.946 -0.112 1.00 0.14 H new ATOM 826 N VAL A 53 -4.696 -9.195 5.562 1.00 71.43 N ATOM 827 CA VAL A 53 -3.902 -9.049 6.787 1.00 70.44 C ATOM 828 C VAL A 53 -4.014 -10.283 7.694 1.00 51.21 C ATOM 829 O VAL A 53 -3.006 -10.875 8.080 1.00 24.42 O ATOM 830 CB VAL A 53 -4.328 -7.790 7.584 1.00 60.23 C ATOM 831 CG1 VAL A 53 -3.499 -7.640 8.862 1.00 55.52 C ATOM 832 CG2 VAL A 53 -4.214 -6.542 6.710 1.00 53.34 C ATOM 0 H VAL A 53 -5.491 -8.559 5.499 1.00 71.43 H new ATOM 0 HA VAL A 53 -2.864 -8.943 6.472 1.00 70.44 H new ATOM 0 HB VAL A 53 -5.371 -7.910 7.878 1.00 60.23 H new ATOM 0 HG11 VAL A 53 -3.819 -6.748 9.401 1.00 55.52 H new ATOM 0 HG12 VAL A 53 -3.642 -8.517 9.493 1.00 55.52 H new ATOM 0 HG13 VAL A 53 -2.444 -7.548 8.603 1.00 55.52 H new ATOM 0 HG21 VAL A 53 -4.517 -5.667 7.284 1.00 53.34 H new ATOM 0 HG22 VAL A 53 -3.182 -6.421 6.381 1.00 53.34 H new ATOM 0 HG23 VAL A 53 -4.862 -6.647 5.840 1.00 53.34 H new ATOM 842 N ASN A 54 -5.244 -10.670 8.025 1.00 23.34 N ATOM 843 CA ASN A 54 -5.483 -11.789 8.948 1.00 30.34 C ATOM 844 C ASN A 54 -5.417 -13.159 8.249 1.00 64.10 C ATOM 845 O ASN A 54 -5.415 -14.197 8.917 1.00 52.54 O ATOM 846 CB ASN A 54 -6.840 -11.620 9.639 1.00 5.35 C ATOM 847 CG ASN A 54 -6.889 -10.377 10.507 1.00 1.42 C ATOM 848 OD1 ASN A 54 -7.246 -9.295 10.052 1.00 71.10 O ATOM 849 ND2 ASN A 54 -6.522 -10.518 11.764 1.00 61.13 N ATOM 0 H ASN A 54 -6.093 -10.229 7.671 1.00 23.34 H new ATOM 0 HA ASN A 54 -4.684 -11.767 9.689 1.00 30.34 H new ATOM 0 HB2 ASN A 54 -7.626 -11.566 8.885 1.00 5.35 H new ATOM 0 HB3 ASN A 54 -7.046 -12.498 10.252 1.00 5.35 H new ATOM 0 HD21 ASN A 54 -6.529 -9.713 12.391 1.00 61.13 H new ATOM 0 HD22 ASN A 54 -6.231 -11.432 12.111 1.00 61.13 H new ATOM 856 N SER A 55 -5.367 -13.162 6.916 1.00 31.54 N ATOM 857 CA SER A 55 -5.321 -14.414 6.133 1.00 2.21 C ATOM 858 C SER A 55 -6.503 -15.339 6.479 1.00 23.23 C ATOM 859 O SER A 55 -6.336 -16.548 6.661 1.00 43.41 O ATOM 860 CB SER A 55 -3.986 -15.149 6.354 1.00 5.32 C ATOM 861 OG SER A 55 -2.892 -14.413 5.822 1.00 11.42 O ATOM 0 H SER A 55 -5.357 -12.314 6.349 1.00 31.54 H new ATOM 0 HA SER A 55 -5.401 -14.144 5.080 1.00 2.21 H new ATOM 0 HB2 SER A 55 -3.832 -15.312 7.421 1.00 5.32 H new ATOM 0 HB3 SER A 55 -4.028 -16.131 5.884 1.00 5.32 H new ATOM 0 HG SER A 55 -2.059 -14.905 5.980 1.00 11.42 H new ATOM 867 N THR A 56 -7.700 -14.760 6.549 1.00 31.54 N ATOM 868 CA THR A 56 -8.917 -15.507 6.907 1.00 3.30 C ATOM 869 C THR A 56 -9.281 -16.557 5.844 1.00 34.40 C ATOM 870 O THR A 56 -9.189 -17.761 6.087 1.00 24.21 O ATOM 871 CB THR A 56 -10.124 -14.553 7.101 1.00 62.15 C ATOM 872 OG1 THR A 56 -10.320 -13.769 5.911 1.00 11.33 O ATOM 873 CG2 THR A 56 -9.908 -13.627 8.295 1.00 43.42 C ATOM 0 H THR A 56 -7.859 -13.770 6.362 1.00 31.54 H new ATOM 0 HA THR A 56 -8.699 -16.017 7.845 1.00 3.30 H new ATOM 0 HB THR A 56 -11.009 -15.159 7.293 1.00 62.15 H new ATOM 0 HG1 THR A 56 -11.134 -14.067 5.453 1.00 11.33 H new ATOM 0 HG21 THR A 56 -10.770 -12.970 8.406 1.00 43.42 H new ATOM 0 HG22 THR A 56 -9.786 -14.222 9.200 1.00 43.42 H new ATOM 0 HG23 THR A 56 -9.013 -13.027 8.133 1.00 43.42 H new ATOM 881 N TYR A 57 -9.704 -16.092 4.672 1.00 54.24 N ATOM 882 CA TYR A 57 -10.083 -16.988 3.568 1.00 1.03 C ATOM 883 C TYR A 57 -9.651 -16.430 2.199 1.00 53.21 C ATOM 884 O TYR A 57 -10.084 -16.926 1.156 1.00 4.12 O ATOM 885 CB TYR A 57 -11.605 -17.222 3.585 1.00 4.54 C ATOM 886 CG TYR A 57 -12.428 -15.943 3.614 1.00 63.35 C ATOM 887 CD1 TYR A 57 -12.692 -15.228 2.448 1.00 40.55 C ATOM 888 CD2 TYR A 57 -12.937 -15.449 4.813 1.00 15.51 C ATOM 889 CE1 TYR A 57 -13.437 -14.062 2.477 1.00 4.31 C ATOM 890 CE2 TYR A 57 -13.682 -14.286 4.848 1.00 3.14 C ATOM 891 CZ TYR A 57 -13.928 -13.595 3.680 1.00 60.32 C ATOM 892 OH TYR A 57 -14.668 -12.433 3.717 1.00 15.23 O ATOM 0 H TYR A 57 -9.795 -15.099 4.456 1.00 54.24 H new ATOM 0 HA TYR A 57 -9.563 -17.934 3.715 1.00 1.03 H new ATOM 0 HB2 TYR A 57 -11.883 -17.801 2.704 1.00 4.54 H new ATOM 0 HB3 TYR A 57 -11.860 -17.825 4.456 1.00 4.54 H new ATOM 0 HD1 TYR A 57 -12.309 -15.590 1.505 1.00 40.55 H new ATOM 0 HD2 TYR A 57 -12.746 -15.985 5.731 1.00 15.51 H new ATOM 0 HE1 TYR A 57 -13.633 -13.520 1.564 1.00 4.31 H new ATOM 0 HE2 TYR A 57 -14.070 -13.919 5.787 1.00 3.14 H new ATOM 0 HH TYR A 57 -14.938 -12.246 4.640 1.00 15.23 H new ATOM 902 N TYR A 58 -8.793 -15.412 2.203 1.00 51.34 N ATOM 903 CA TYR A 58 -8.372 -14.754 0.958 1.00 0.35 C ATOM 904 C TYR A 58 -7.181 -15.482 0.307 1.00 62.50 C ATOM 905 O TYR A 58 -6.032 -15.336 0.734 1.00 14.03 O ATOM 906 CB TYR A 58 -8.014 -13.289 1.233 1.00 54.40 C ATOM 907 CG TYR A 58 -7.994 -12.422 -0.014 1.00 61.23 C ATOM 908 CD1 TYR A 58 -9.183 -12.035 -0.626 1.00 21.14 C ATOM 909 CD2 TYR A 58 -6.798 -11.981 -0.574 1.00 42.25 C ATOM 910 CE1 TYR A 58 -9.180 -11.237 -1.754 1.00 63.31 C ATOM 911 CE2 TYR A 58 -6.790 -11.183 -1.706 1.00 30.51 C ATOM 912 CZ TYR A 58 -7.984 -10.814 -2.291 1.00 2.24 C ATOM 913 OH TYR A 58 -7.985 -10.008 -3.407 1.00 54.11 O ATOM 0 H TYR A 58 -8.375 -15.023 3.048 1.00 51.34 H new ATOM 0 HA TYR A 58 -9.207 -14.795 0.258 1.00 0.35 H new ATOM 0 HB2 TYR A 58 -8.732 -12.875 1.941 1.00 54.40 H new ATOM 0 HB3 TYR A 58 -7.035 -13.247 1.710 1.00 54.40 H new ATOM 0 HD1 TYR A 58 -10.124 -12.364 -0.212 1.00 21.14 H new ATOM 0 HD2 TYR A 58 -5.861 -12.266 -0.118 1.00 42.25 H new ATOM 0 HE1 TYR A 58 -10.113 -10.946 -2.214 1.00 63.31 H new ATOM 0 HE2 TYR A 58 -5.853 -10.851 -2.129 1.00 30.51 H new ATOM 0 HH TYR A 58 -8.737 -9.382 -3.358 1.00 54.11 H new ATOM 923 N ALA A 59 -7.466 -16.266 -0.730 1.00 22.43 N ATOM 924 CA ALA A 59 -6.437 -17.055 -1.415 1.00 22.44 C ATOM 925 C ALA A 59 -6.455 -16.831 -2.936 1.00 14.24 C ATOM 926 O ALA A 59 -7.472 -17.064 -3.590 1.00 72.32 O ATOM 927 CB ALA A 59 -6.622 -18.534 -1.090 1.00 0.32 C ATOM 0 H ALA A 59 -8.403 -16.374 -1.118 1.00 22.43 H new ATOM 0 HA ALA A 59 -5.464 -16.722 -1.055 1.00 22.44 H new ATOM 0 HB1 ALA A 59 -5.856 -19.117 -1.601 1.00 0.32 H new ATOM 0 HB2 ALA A 59 -6.535 -18.684 -0.014 1.00 0.32 H new ATOM 0 HB3 ALA A 59 -7.608 -18.859 -1.423 1.00 0.32 H new ATOM 933 N ASN A 60 -5.322 -16.370 -3.480 1.00 64.10 N ATOM 934 CA ASN A 60 -5.140 -16.191 -4.933 1.00 51.32 C ATOM 935 C ASN A 60 -5.936 -14.988 -5.483 1.00 21.52 C ATOM 936 O ASN A 60 -7.155 -14.903 -5.322 1.00 14.32 O ATOM 937 CB ASN A 60 -5.529 -17.475 -5.683 1.00 51.20 C ATOM 938 CG ASN A 60 -5.251 -17.394 -7.175 1.00 11.33 C ATOM 939 OD1 ASN A 60 -6.082 -16.940 -7.950 1.00 3.02 O ATOM 940 ND2 ASN A 60 -4.081 -17.837 -7.586 1.00 11.52 N ATOM 0 H ASN A 60 -4.504 -16.110 -2.929 1.00 64.10 H new ATOM 0 HA ASN A 60 -4.084 -15.981 -5.100 1.00 51.32 H new ATOM 0 HB2 ASN A 60 -4.980 -18.317 -5.261 1.00 51.20 H new ATOM 0 HB3 ASN A 60 -6.589 -17.675 -5.526 1.00 51.20 H new ATOM 0 HD21 ASN A 60 -3.844 -17.808 -8.578 1.00 11.52 H new ATOM 0 HD22 ASN A 60 -3.411 -18.209 -6.913 1.00 11.52 H new ATOM 947 N VAL A 61 -5.235 -14.067 -6.143 1.00 50.43 N ATOM 948 CA VAL A 61 -5.869 -12.895 -6.761 1.00 23.35 C ATOM 949 C VAL A 61 -5.042 -12.380 -7.955 1.00 63.43 C ATOM 950 O VAL A 61 -3.818 -12.528 -7.983 1.00 63.30 O ATOM 951 CB VAL A 61 -6.060 -11.750 -5.731 1.00 13.02 C ATOM 952 CG1 VAL A 61 -4.719 -11.286 -5.164 1.00 41.24 C ATOM 953 CG2 VAL A 61 -6.828 -10.578 -6.345 1.00 15.35 C ATOM 0 H VAL A 61 -4.223 -14.107 -6.266 1.00 50.43 H new ATOM 0 HA VAL A 61 -6.848 -13.212 -7.120 1.00 23.35 H new ATOM 0 HB VAL A 61 -6.653 -12.145 -4.906 1.00 13.02 H new ATOM 0 HG11 VAL A 61 -4.886 -10.483 -4.446 1.00 41.24 H new ATOM 0 HG12 VAL A 61 -4.226 -12.121 -4.667 1.00 41.24 H new ATOM 0 HG13 VAL A 61 -4.088 -10.922 -5.975 1.00 41.24 H new ATOM 0 HG21 VAL A 61 -6.947 -9.791 -5.600 1.00 15.35 H new ATOM 0 HG22 VAL A 61 -6.275 -10.189 -7.200 1.00 15.35 H new ATOM 0 HG23 VAL A 61 -7.810 -10.918 -6.673 1.00 15.35 H new ATOM 963 N SER A 62 -5.712 -11.784 -8.941 1.00 13.13 N ATOM 964 CA SER A 62 -5.025 -11.238 -10.124 1.00 11.30 C ATOM 965 C SER A 62 -4.008 -10.147 -9.759 1.00 74.53 C ATOM 966 O SER A 62 -4.203 -9.380 -8.811 1.00 54.31 O ATOM 967 CB SER A 62 -6.031 -10.660 -11.123 1.00 34.12 C ATOM 968 OG SER A 62 -5.365 -10.001 -12.193 1.00 54.01 O ATOM 0 H SER A 62 -6.725 -11.664 -8.950 1.00 13.13 H new ATOM 0 HA SER A 62 -4.489 -12.072 -10.576 1.00 11.30 H new ATOM 0 HB2 SER A 62 -6.658 -11.460 -11.518 1.00 34.12 H new ATOM 0 HB3 SER A 62 -6.692 -9.958 -10.614 1.00 34.12 H new ATOM 0 HG SER A 62 -6.028 -9.642 -12.819 1.00 54.01 H new ATOM 974 N ALA A 63 -2.926 -10.078 -10.535 1.00 11.23 N ATOM 975 CA ALA A 63 -1.881 -9.069 -10.335 1.00 21.24 C ATOM 976 C ALA A 63 -2.390 -7.654 -10.648 1.00 61.54 C ATOM 977 O ALA A 63 -1.800 -6.662 -10.214 1.00 72.25 O ATOM 978 CB ALA A 63 -0.666 -9.393 -11.199 1.00 71.31 C ATOM 0 H ALA A 63 -2.748 -10.713 -11.313 1.00 11.23 H new ATOM 0 HA ALA A 63 -1.594 -9.093 -9.284 1.00 21.24 H new ATOM 0 HB1 ALA A 63 0.104 -8.637 -11.043 1.00 71.31 H new ATOM 0 HB2 ALA A 63 -0.274 -10.372 -10.924 1.00 71.31 H new ATOM 0 HB3 ALA A 63 -0.958 -9.401 -12.249 1.00 71.31 H new ATOM 984 N ALA A 64 -3.494 -7.571 -11.397 1.00 64.23 N ATOM 985 CA ALA A 64 -4.094 -6.284 -11.775 1.00 31.23 C ATOM 986 C ALA A 64 -4.274 -5.355 -10.565 1.00 13.14 C ATOM 987 O ALA A 64 -4.106 -4.141 -10.673 1.00 34.33 O ATOM 988 CB ALA A 64 -5.434 -6.516 -12.464 1.00 44.43 C ATOM 0 H ALA A 64 -3.994 -8.384 -11.756 1.00 64.23 H new ATOM 0 HA ALA A 64 -3.410 -5.791 -12.465 1.00 31.23 H new ATOM 0 HB1 ALA A 64 -5.872 -5.557 -12.741 1.00 44.43 H new ATOM 0 HB2 ALA A 64 -5.283 -7.118 -13.360 1.00 44.43 H new ATOM 0 HB3 ALA A 64 -6.107 -7.039 -11.784 1.00 44.43 H new ATOM 994 N LYS A 65 -4.599 -5.941 -9.412 1.00 54.04 N ATOM 995 CA LYS A 65 -4.771 -5.178 -8.168 1.00 24.14 C ATOM 996 C LYS A 65 -3.513 -4.359 -7.825 1.00 42.35 C ATOM 997 O LYS A 65 -3.606 -3.206 -7.401 1.00 52.01 O ATOM 998 CB LYS A 65 -5.115 -6.135 -7.015 1.00 64.43 C ATOM 999 CG LYS A 65 -5.231 -5.454 -5.651 1.00 33.23 C ATOM 1000 CD LYS A 65 -5.664 -6.428 -4.555 1.00 52.24 C ATOM 1001 CE LYS A 65 -7.087 -6.933 -4.767 1.00 25.01 C ATOM 1002 NZ LYS A 65 -8.077 -5.822 -4.753 1.00 2.42 N ATOM 0 H LYS A 65 -4.750 -6.945 -9.310 1.00 54.04 H new ATOM 0 HA LYS A 65 -5.591 -4.474 -8.314 1.00 24.14 H new ATOM 0 HB2 LYS A 65 -6.057 -6.635 -7.241 1.00 64.43 H new ATOM 0 HB3 LYS A 65 -4.349 -6.909 -6.959 1.00 64.43 H new ATOM 0 HG2 LYS A 65 -4.271 -5.013 -5.384 1.00 33.23 H new ATOM 0 HG3 LYS A 65 -5.950 -4.638 -5.714 1.00 33.23 H new ATOM 0 HD2 LYS A 65 -4.979 -7.275 -4.532 1.00 52.24 H new ATOM 0 HD3 LYS A 65 -5.595 -5.936 -3.585 1.00 52.24 H new ATOM 0 HE2 LYS A 65 -7.147 -7.461 -5.719 1.00 25.01 H new ATOM 0 HE3 LYS A 65 -7.337 -7.652 -3.987 1.00 25.01 H new ATOM 0 HZ1 LYS A 65 -9.040 -6.215 -4.730 1.00 2.42 H new ATOM 0 HZ2 LYS A 65 -7.924 -5.231 -3.911 1.00 2.42 H new ATOM 0 HZ3 LYS A 65 -7.960 -5.242 -5.609 1.00 2.42 H new ATOM 1016 N CYS A 66 -2.339 -4.959 -8.019 1.00 31.40 N ATOM 1017 CA CYS A 66 -1.066 -4.283 -7.729 1.00 73.40 C ATOM 1018 C CYS A 66 -0.797 -3.131 -8.711 1.00 21.10 C ATOM 1019 O CYS A 66 -0.335 -2.060 -8.316 1.00 51.04 O ATOM 1020 CB CYS A 66 0.096 -5.286 -7.769 1.00 31.42 C ATOM 1021 SG CYS A 66 -0.028 -6.609 -6.539 1.00 20.21 S ATOM 0 H CYS A 66 -2.238 -5.910 -8.375 1.00 31.40 H new ATOM 0 HA CYS A 66 -1.143 -3.860 -6.727 1.00 73.40 H new ATOM 0 HB2 CYS A 66 0.143 -5.731 -8.763 1.00 31.42 H new ATOM 0 HB3 CYS A 66 1.032 -4.748 -7.616 1.00 31.42 H new ATOM 0 HG CYS A 66 0.718 -7.610 -6.902 1.00 20.21 H new ATOM 1027 N GLN A 67 -1.089 -3.358 -9.990 1.00 31.44 N ATOM 1028 CA GLN A 67 -0.896 -2.334 -11.027 1.00 22.53 C ATOM 1029 C GLN A 67 -1.846 -1.143 -10.829 1.00 70.51 C ATOM 1030 O GLN A 67 -1.436 0.016 -10.940 1.00 73.14 O ATOM 1031 CB GLN A 67 -1.083 -2.950 -12.423 1.00 2.21 C ATOM 1032 CG GLN A 67 0.145 -3.699 -12.942 1.00 42.53 C ATOM 1033 CD GLN A 67 0.620 -4.810 -12.015 1.00 32.01 C ATOM 1034 OE1 GLN A 67 0.214 -5.961 -12.142 1.00 70.23 O ATOM 1035 NE2 GLN A 67 1.488 -4.475 -11.079 1.00 72.32 N ATOM 0 H GLN A 67 -1.461 -4.242 -10.338 1.00 31.44 H new ATOM 0 HA GLN A 67 0.123 -1.957 -10.941 1.00 22.53 H new ATOM 0 HB2 GLN A 67 -1.930 -3.636 -12.396 1.00 2.21 H new ATOM 0 HB3 GLN A 67 -1.337 -2.158 -13.127 1.00 2.21 H new ATOM 0 HG2 GLN A 67 -0.086 -4.126 -13.918 1.00 42.53 H new ATOM 0 HG3 GLN A 67 0.958 -2.988 -13.089 1.00 42.53 H new ATOM 0 HE21 GLN A 67 1.806 -3.509 -11.000 1.00 72.32 H new ATOM 0 HE22 GLN A 67 1.841 -5.182 -10.434 1.00 72.32 H new ATOM 1044 N GLU A 68 -3.112 -1.432 -10.531 1.00 70.40 N ATOM 1045 CA GLU A 68 -4.097 -0.381 -10.245 1.00 43.43 C ATOM 1046 C GLU A 68 -3.729 0.384 -8.962 1.00 75.11 C ATOM 1047 O GLU A 68 -3.889 1.607 -8.885 1.00 3.14 O ATOM 1048 CB GLU A 68 -5.504 -0.987 -10.121 1.00 60.11 C ATOM 1049 CG GLU A 68 -6.003 -1.674 -11.395 1.00 72.40 C ATOM 1050 CD GLU A 68 -6.261 -0.704 -12.545 1.00 75.41 C ATOM 1051 OE1 GLU A 68 -5.288 -0.145 -13.096 1.00 52.34 O ATOM 1052 OE2 GLU A 68 -7.440 -0.504 -12.916 1.00 45.42 O ATOM 0 H GLU A 68 -3.482 -2.381 -10.481 1.00 70.40 H new ATOM 0 HA GLU A 68 -4.091 0.325 -11.075 1.00 43.43 H new ATOM 0 HB2 GLU A 68 -5.506 -1.711 -9.306 1.00 60.11 H new ATOM 0 HB3 GLU A 68 -6.205 -0.198 -9.848 1.00 60.11 H new ATOM 0 HG2 GLU A 68 -5.268 -2.414 -11.712 1.00 72.40 H new ATOM 0 HG3 GLU A 68 -6.923 -2.214 -11.171 1.00 72.40 H new ATOM 1059 N PHE A 69 -3.229 -0.340 -7.959 1.00 73.30 N ATOM 1060 CA PHE A 69 -2.746 0.286 -6.724 1.00 33.31 C ATOM 1061 C PHE A 69 -1.532 1.186 -7.006 1.00 44.42 C ATOM 1062 O PHE A 69 -1.409 2.273 -6.442 1.00 60.40 O ATOM 1063 CB PHE A 69 -2.382 -0.781 -5.681 1.00 61.35 C ATOM 1064 CG PHE A 69 -1.981 -0.206 -4.341 1.00 51.32 C ATOM 1065 CD1 PHE A 69 -2.946 0.151 -3.409 1.00 73.11 C ATOM 1066 CD2 PHE A 69 -0.643 -0.021 -4.015 1.00 64.22 C ATOM 1067 CE1 PHE A 69 -2.586 0.680 -2.183 1.00 73.53 C ATOM 1068 CE2 PHE A 69 -0.279 0.508 -2.791 1.00 1.43 C ATOM 1069 CZ PHE A 69 -1.250 0.859 -1.875 1.00 12.25 C ATOM 0 H PHE A 69 -3.147 -1.357 -7.976 1.00 73.30 H new ATOM 0 HA PHE A 69 -3.550 0.904 -6.324 1.00 33.31 H new ATOM 0 HB2 PHE A 69 -3.234 -1.446 -5.541 1.00 61.35 H new ATOM 0 HB3 PHE A 69 -1.563 -1.389 -6.066 1.00 61.35 H new ATOM 0 HD1 PHE A 69 -3.991 0.014 -3.644 1.00 73.11 H new ATOM 0 HD2 PHE A 69 0.122 -0.294 -4.727 1.00 64.22 H new ATOM 0 HE1 PHE A 69 -3.347 0.953 -1.467 1.00 73.53 H new ATOM 0 HE2 PHE A 69 0.765 0.647 -2.551 1.00 1.43 H new ATOM 0 HZ PHE A 69 -0.967 1.273 -0.919 1.00 12.25 H new ATOM 1079 N GLY A 70 -0.637 0.721 -7.879 1.00 51.15 N ATOM 1080 CA GLY A 70 0.510 1.524 -8.291 1.00 62.21 C ATOM 1081 C GLY A 70 0.096 2.838 -8.949 1.00 40.43 C ATOM 1082 O GLY A 70 0.685 3.891 -8.683 1.00 11.31 O ATOM 0 H GLY A 70 -0.685 -0.202 -8.311 1.00 51.15 H new ATOM 0 HA2 GLY A 70 1.132 1.737 -7.422 1.00 62.21 H new ATOM 0 HA3 GLY A 70 1.121 0.949 -8.987 1.00 62.21 H new ATOM 1086 N ARG A 71 -0.929 2.776 -9.806 1.00 71.41 N ATOM 1087 CA ARG A 71 -1.505 3.980 -10.422 1.00 75.14 C ATOM 1088 C ARG A 71 -1.957 4.969 -9.334 1.00 5.34 C ATOM 1089 O ARG A 71 -1.695 6.172 -9.409 1.00 0.53 O ATOM 1090 CB ARG A 71 -2.716 3.610 -11.298 1.00 75.12 C ATOM 1091 CG ARG A 71 -3.178 4.739 -12.223 1.00 24.23 C ATOM 1092 CD ARG A 71 -4.667 4.652 -12.562 1.00 30.13 C ATOM 1093 NE ARG A 71 -5.067 3.355 -13.111 1.00 12.13 N ATOM 1094 CZ ARG A 71 -5.999 3.205 -14.016 1.00 13.23 C ATOM 1095 NH1 ARG A 71 -6.547 4.239 -14.575 1.00 61.25 N ATOM 1096 NH2 ARG A 71 -6.372 2.023 -14.371 1.00 4.45 N ATOM 0 H ARG A 71 -1.378 1.905 -10.090 1.00 71.41 H new ATOM 0 HA ARG A 71 -0.738 4.444 -11.043 1.00 75.14 H new ATOM 0 HB2 ARG A 71 -2.463 2.739 -11.902 1.00 75.12 H new ATOM 0 HB3 ARG A 71 -3.545 3.320 -10.652 1.00 75.12 H new ATOM 0 HG2 ARG A 71 -2.973 5.699 -11.749 1.00 24.23 H new ATOM 0 HG3 ARG A 71 -2.597 4.709 -13.145 1.00 24.23 H new ATOM 0 HD2 ARG A 71 -5.249 4.851 -11.662 1.00 30.13 H new ATOM 0 HD3 ARG A 71 -4.914 5.433 -13.281 1.00 30.13 H new ATOM 0 HE ARG A 71 -4.591 2.520 -12.768 1.00 12.13 H new ATOM 0 HH11 ARG A 71 -6.252 5.179 -14.310 1.00 61.25 H new ATOM 0 HH12 ARG A 71 -7.273 4.113 -15.280 1.00 61.25 H new ATOM 0 HH21 ARG A 71 -5.940 1.203 -13.946 1.00 4.45 H new ATOM 0 HH22 ARG A 71 -7.099 1.908 -15.077 1.00 4.45 H new ATOM 1110 N TRP A 72 -2.638 4.434 -8.323 1.00 25.11 N ATOM 1111 CA TRP A 72 -3.121 5.227 -7.191 1.00 51.22 C ATOM 1112 C TRP A 72 -1.956 5.808 -6.374 1.00 62.43 C ATOM 1113 O TRP A 72 -1.948 6.995 -6.048 1.00 22.11 O ATOM 1114 CB TRP A 72 -4.010 4.356 -6.295 1.00 30.01 C ATOM 1115 CG TRP A 72 -4.549 5.071 -5.090 1.00 73.41 C ATOM 1116 CD1 TRP A 72 -5.627 5.905 -5.045 1.00 22.43 C ATOM 1117 CD2 TRP A 72 -4.035 5.005 -3.753 1.00 33.32 C ATOM 1118 NE1 TRP A 72 -5.819 6.358 -3.764 1.00 33.23 N ATOM 1119 CE2 TRP A 72 -4.852 5.823 -2.953 1.00 34.53 C ATOM 1120 CE3 TRP A 72 -2.963 4.336 -3.156 1.00 12.30 C ATOM 1121 CZ2 TRP A 72 -4.633 5.985 -1.585 1.00 24.34 C ATOM 1122 CZ3 TRP A 72 -2.745 4.495 -1.801 1.00 34.41 C ATOM 1123 CH2 TRP A 72 -3.577 5.316 -1.028 1.00 72.10 C ATOM 0 H TRP A 72 -2.871 3.443 -8.264 1.00 25.11 H new ATOM 0 HA TRP A 72 -3.701 6.063 -7.582 1.00 51.22 H new ATOM 0 HB2 TRP A 72 -4.845 3.980 -6.885 1.00 30.01 H new ATOM 0 HB3 TRP A 72 -3.437 3.489 -5.965 1.00 30.01 H new ATOM 0 HD1 TRP A 72 -6.240 6.170 -5.894 1.00 22.43 H new ATOM 0 HE1 TRP A 72 -6.561 6.990 -3.464 1.00 33.23 H new ATOM 0 HE3 TRP A 72 -2.315 3.704 -3.745 1.00 12.30 H new ATOM 0 HZ2 TRP A 72 -5.274 6.616 -0.987 1.00 24.34 H new ATOM 0 HZ3 TRP A 72 -1.921 3.979 -1.331 1.00 34.41 H new ATOM 0 HH2 TRP A 72 -3.381 5.423 0.029 1.00 72.10 H new ATOM 1134 N TYR A 73 -0.968 4.968 -6.074 1.00 62.41 N ATOM 1135 CA TYR A 73 0.173 5.367 -5.245 1.00 34.11 C ATOM 1136 C TYR A 73 0.971 6.509 -5.901 1.00 62.14 C ATOM 1137 O TYR A 73 1.508 7.379 -5.211 1.00 70.31 O ATOM 1138 CB TYR A 73 1.083 4.161 -4.972 1.00 60.21 C ATOM 1139 CG TYR A 73 2.111 4.405 -3.883 1.00 13.43 C ATOM 1140 CD1 TYR A 73 1.807 4.166 -2.545 1.00 22.32 C ATOM 1141 CD2 TYR A 73 3.383 4.876 -4.189 1.00 34.22 C ATOM 1142 CE1 TYR A 73 2.738 4.391 -1.551 1.00 75.32 C ATOM 1143 CE2 TYR A 73 4.318 5.100 -3.199 1.00 55.42 C ATOM 1144 CZ TYR A 73 3.994 4.857 -1.883 1.00 3.42 C ATOM 1145 OH TYR A 73 4.927 5.085 -0.898 1.00 62.21 O ATOM 0 H TYR A 73 -0.933 4.000 -6.394 1.00 62.41 H new ATOM 0 HA TYR A 73 -0.215 5.736 -4.296 1.00 34.11 H new ATOM 0 HB2 TYR A 73 0.466 3.308 -4.692 1.00 60.21 H new ATOM 0 HB3 TYR A 73 1.600 3.891 -5.893 1.00 60.21 H new ATOM 0 HD1 TYR A 73 0.826 3.798 -2.281 1.00 22.32 H new ATOM 0 HD2 TYR A 73 3.644 5.070 -5.219 1.00 34.22 H new ATOM 0 HE1 TYR A 73 2.485 4.203 -0.518 1.00 75.32 H new ATOM 0 HE2 TYR A 73 5.301 5.465 -3.456 1.00 55.42 H new ATOM 0 HH TYR A 73 5.758 5.410 -1.303 1.00 62.21 H new ATOM 1155 N LYS A 74 1.035 6.510 -7.233 1.00 44.41 N ATOM 1156 CA LYS A 74 1.679 7.602 -7.974 1.00 75.45 C ATOM 1157 C LYS A 74 0.986 8.946 -7.675 1.00 24.43 C ATOM 1158 O LYS A 74 1.631 9.993 -7.590 1.00 30.52 O ATOM 1159 CB LYS A 74 1.664 7.303 -9.482 1.00 42.41 C ATOM 1160 CG LYS A 74 2.401 8.339 -10.332 1.00 5.31 C ATOM 1161 CD LYS A 74 2.560 7.884 -11.784 1.00 75.43 C ATOM 1162 CE LYS A 74 1.216 7.701 -12.483 1.00 32.50 C ATOM 1163 NZ LYS A 74 1.373 7.126 -13.845 1.00 2.22 N ATOM 0 H LYS A 74 0.651 5.771 -7.822 1.00 44.41 H new ATOM 0 HA LYS A 74 2.716 7.678 -7.648 1.00 75.45 H new ATOM 0 HB2 LYS A 74 2.113 6.324 -9.652 1.00 42.41 H new ATOM 0 HB3 LYS A 74 0.629 7.242 -9.819 1.00 42.41 H new ATOM 0 HG2 LYS A 74 1.856 9.283 -10.306 1.00 5.31 H new ATOM 0 HG3 LYS A 74 3.385 8.527 -9.902 1.00 5.31 H new ATOM 0 HD2 LYS A 74 3.154 8.617 -12.329 1.00 75.43 H new ATOM 0 HD3 LYS A 74 3.112 6.944 -11.810 1.00 75.43 H new ATOM 0 HE2 LYS A 74 0.581 7.048 -11.884 1.00 32.50 H new ATOM 0 HE3 LYS A 74 0.708 8.663 -12.551 1.00 32.50 H new ATOM 0 HZ1 LYS A 74 0.436 6.907 -14.240 1.00 2.22 H new ATOM 0 HZ2 LYS A 74 1.855 7.814 -14.459 1.00 2.22 H new ATOM 0 HZ3 LYS A 74 1.938 6.255 -13.791 1.00 2.22 H new ATOM 1177 N HIS A 75 -0.336 8.899 -7.498 1.00 12.53 N ATOM 1178 CA HIS A 75 -1.111 10.079 -7.093 1.00 53.41 C ATOM 1179 C HIS A 75 -0.966 10.328 -5.582 1.00 61.21 C ATOM 1180 O HIS A 75 -0.982 11.470 -5.124 1.00 62.31 O ATOM 1181 CB HIS A 75 -2.594 9.891 -7.446 1.00 21.41 C ATOM 1182 CG HIS A 75 -2.837 9.596 -8.891 1.00 45.10 C ATOM 1183 ND1 HIS A 75 -3.381 8.409 -9.336 1.00 71.10 N ATOM 1184 CD2 HIS A 75 -2.616 10.340 -9.998 1.00 3.20 C ATOM 1185 CE1 HIS A 75 -3.481 8.435 -10.646 1.00 50.33 C ATOM 1186 NE2 HIS A 75 -3.026 9.594 -11.074 1.00 73.20 N ATOM 0 H HIS A 75 -0.895 8.056 -7.628 1.00 12.53 H new ATOM 0 HA HIS A 75 -0.722 10.943 -7.632 1.00 53.41 H new ATOM 0 HB2 HIS A 75 -3.001 9.077 -6.845 1.00 21.41 H new ATOM 0 HB3 HIS A 75 -3.140 10.793 -7.172 1.00 21.41 H new ATOM 0 HD2 HIS A 75 -2.196 11.334 -10.029 1.00 3.20 H new ATOM 0 HE1 HIS A 75 -3.870 7.641 -11.266 1.00 50.33 H new ATOM 0 HE2 HIS A 75 -2.985 9.890 -12.049 1.00 73.20 H new ATOM 1195 N PHE A 76 -0.820 9.239 -4.821 1.00 45.44 N ATOM 1196 CA PHE A 76 -0.643 9.305 -3.364 1.00 44.41 C ATOM 1197 C PHE A 76 0.630 10.086 -2.989 1.00 61.04 C ATOM 1198 O PHE A 76 0.656 10.808 -1.989 1.00 61.45 O ATOM 1199 CB PHE A 76 -0.589 7.880 -2.790 1.00 50.43 C ATOM 1200 CG PHE A 76 -0.464 7.810 -1.290 1.00 72.43 C ATOM 1201 CD1 PHE A 76 -1.540 8.136 -0.477 1.00 72.25 C ATOM 1202 CD2 PHE A 76 0.724 7.408 -0.693 1.00 71.14 C ATOM 1203 CE1 PHE A 76 -1.432 8.063 0.899 1.00 62.54 C ATOM 1204 CE2 PHE A 76 0.835 7.332 0.681 1.00 44.13 C ATOM 1205 CZ PHE A 76 -0.245 7.660 1.478 1.00 65.21 C ATOM 0 H PHE A 76 -0.821 8.290 -5.194 1.00 45.44 H new ATOM 0 HA PHE A 76 -1.492 9.837 -2.935 1.00 44.41 H new ATOM 0 HB2 PHE A 76 -1.491 7.347 -3.091 1.00 50.43 H new ATOM 0 HB3 PHE A 76 0.255 7.355 -3.236 1.00 50.43 H new ATOM 0 HD1 PHE A 76 -2.472 8.450 -0.924 1.00 72.25 H new ATOM 0 HD2 PHE A 76 1.571 7.152 -1.311 1.00 71.14 H new ATOM 0 HE1 PHE A 76 -2.276 8.321 1.521 1.00 62.54 H new ATOM 0 HE2 PHE A 76 1.764 7.017 1.132 1.00 44.13 H new ATOM 0 HZ PHE A 76 -0.161 7.601 2.553 1.00 65.21 H new ATOM 1215 N LYS A 77 1.688 9.926 -3.783 1.00 32.44 N ATOM 1216 CA LYS A 77 2.908 10.724 -3.601 1.00 34.44 C ATOM 1217 C LYS A 77 2.789 12.089 -4.294 1.00 22.41 C ATOM 1218 O LYS A 77 3.407 13.064 -3.865 1.00 11.22 O ATOM 1219 CB LYS A 77 4.149 9.988 -4.131 1.00 43.23 C ATOM 1220 CG LYS A 77 4.437 8.662 -3.431 1.00 74.34 C ATOM 1221 CD LYS A 77 5.897 8.207 -3.585 1.00 64.33 C ATOM 1222 CE LYS A 77 6.339 8.077 -5.045 1.00 31.31 C ATOM 1223 NZ LYS A 77 6.765 9.379 -5.635 1.00 0.00 N ATOM 0 H LYS A 77 1.729 9.258 -4.553 1.00 32.44 H new ATOM 0 HA LYS A 77 3.025 10.879 -2.528 1.00 34.44 H new ATOM 0 HB2 LYS A 77 4.020 9.802 -5.197 1.00 43.23 H new ATOM 0 HB3 LYS A 77 5.017 10.639 -4.024 1.00 43.23 H new ATOM 0 HG2 LYS A 77 4.202 8.758 -2.371 1.00 74.34 H new ATOM 0 HG3 LYS A 77 3.778 7.893 -3.835 1.00 74.34 H new ATOM 0 HD2 LYS A 77 6.548 8.919 -3.077 1.00 64.33 H new ATOM 0 HD3 LYS A 77 6.026 7.246 -3.087 1.00 64.33 H new ATOM 0 HE2 LYS A 77 7.163 7.367 -5.109 1.00 31.31 H new ATOM 0 HE3 LYS A 77 5.518 7.667 -5.634 1.00 31.31 H new ATOM 0 HZ1 LYS A 77 7.547 9.219 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.964 9.810 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.081 10.017 -4.877 1.00 0.00 H new ATOM 1237 N LYS A 78 1.993 12.140 -5.369 1.00 63.05 N ATOM 1238 CA LYS A 78 1.783 13.370 -6.151 1.00 4.23 C ATOM 1239 C LYS A 78 3.083 13.811 -6.855 1.00 5.53 C ATOM 1240 O LYS A 78 4.106 14.051 -6.214 1.00 33.34 O ATOM 1241 CB LYS A 78 1.217 14.487 -5.246 1.00 52.13 C ATOM 1242 CG LYS A 78 0.793 15.768 -5.979 1.00 35.25 C ATOM 1243 CD LYS A 78 1.960 16.729 -6.206 1.00 32.20 C ATOM 1244 CE LYS A 78 1.516 18.003 -6.913 1.00 44.43 C ATOM 1245 NZ LYS A 78 2.632 18.976 -7.064 1.00 21.53 N ATOM 0 H LYS A 78 1.477 11.334 -5.722 1.00 63.05 H new ATOM 0 HA LYS A 78 1.051 13.165 -6.932 1.00 4.23 H new ATOM 0 HB2 LYS A 78 0.356 14.094 -4.706 1.00 52.13 H new ATOM 0 HB3 LYS A 78 1.969 14.746 -4.501 1.00 52.13 H new ATOM 0 HG2 LYS A 78 0.353 15.503 -6.940 1.00 35.25 H new ATOM 0 HG3 LYS A 78 0.018 16.273 -5.402 1.00 35.25 H new ATOM 0 HD2 LYS A 78 2.412 16.984 -5.248 1.00 32.20 H new ATOM 0 HD3 LYS A 78 2.729 16.233 -6.799 1.00 32.20 H new ATOM 0 HE2 LYS A 78 1.119 17.752 -7.896 1.00 44.43 H new ATOM 0 HE3 LYS A 78 0.705 18.466 -6.350 1.00 44.43 H new ATOM 0 HZ1 LYS A 78 2.286 19.828 -7.550 1.00 21.53 H new ATOM 0 HZ2 LYS A 78 2.995 19.236 -6.125 1.00 21.53 H new ATOM 0 HZ3 LYS A 78 3.396 18.545 -7.623 1.00 21.53 H new ATOM 1259 N THR A 79 3.036 13.917 -8.182 1.00 25.22 N ATOM 1260 CA THR A 79 4.225 14.270 -8.971 1.00 32.51 C ATOM 1261 C THR A 79 3.953 15.459 -9.913 1.00 13.24 C ATOM 1262 O THR A 79 4.199 16.613 -9.554 1.00 75.41 O ATOM 1263 CB THR A 79 4.733 13.056 -9.794 1.00 60.30 C ATOM 1264 OG1 THR A 79 4.836 11.897 -8.947 1.00 2.54 O ATOM 1265 CG2 THR A 79 6.091 13.344 -10.427 1.00 74.33 C ATOM 0 H THR A 79 2.193 13.765 -8.736 1.00 25.22 H new ATOM 0 HA THR A 79 4.998 14.564 -8.261 1.00 32.51 H new ATOM 0 HB THR A 79 4.014 12.868 -10.592 1.00 60.30 H new ATOM 0 HG1 THR A 79 5.155 11.135 -9.473 1.00 2.54 H new ATOM 0 HG21 THR A 79 6.419 12.474 -10.996 1.00 74.33 H new ATOM 0 HG22 THR A 79 6.007 14.203 -11.093 1.00 74.33 H new ATOM 0 HG23 THR A 79 6.818 13.561 -9.645 1.00 74.33 H new ATOM 1273 N LYS A 80 3.418 15.178 -11.105 1.00 70.04 N ATOM 1274 CA LYS A 80 3.140 16.223 -12.104 1.00 1.01 C ATOM 1275 C LYS A 80 2.454 15.638 -13.342 1.00 50.02 C ATOM 1276 O LYS A 80 2.229 14.429 -13.428 1.00 14.14 O ATOM 1277 CB LYS A 80 4.437 16.931 -12.537 1.00 55.54 C ATOM 1278 CG LYS A 80 5.413 16.035 -13.302 1.00 63.43 C ATOM 1279 CD LYS A 80 6.650 16.802 -13.767 1.00 33.33 C ATOM 1280 CE LYS A 80 6.310 17.900 -14.775 1.00 73.31 C ATOM 1281 NZ LYS A 80 5.773 17.350 -16.053 1.00 21.42 N ATOM 0 H LYS A 80 3.167 14.236 -11.405 1.00 70.04 H new ATOM 0 HA LYS A 80 2.473 16.946 -11.634 1.00 1.01 H new ATOM 0 HB2 LYS A 80 4.180 17.786 -13.162 1.00 55.54 H new ATOM 0 HB3 LYS A 80 4.938 17.322 -11.651 1.00 55.54 H new ATOM 0 HG2 LYS A 80 5.719 15.205 -12.665 1.00 63.43 H new ATOM 0 HG3 LYS A 80 4.908 15.604 -14.166 1.00 63.43 H new ATOM 0 HD2 LYS A 80 7.145 17.246 -12.903 1.00 33.33 H new ATOM 0 HD3 LYS A 80 7.358 16.106 -14.217 1.00 33.33 H new ATOM 0 HE2 LYS A 80 5.577 18.577 -14.337 1.00 73.31 H new ATOM 0 HE3 LYS A 80 7.204 18.489 -14.983 1.00 73.31 H new ATOM 0 HZ1 LYS A 80 5.637 18.124 -16.734 1.00 21.42 H new ATOM 0 HZ2 LYS A 80 6.445 16.659 -16.443 1.00 21.42 H new ATOM 0 HZ3 LYS A 80 4.861 16.883 -15.874 1.00 21.42 H new ATOM 1295 N ASP A 81 2.127 16.506 -14.301 1.00 53.03 N ATOM 1296 CA ASP A 81 1.601 16.065 -15.592 1.00 63.21 C ATOM 1297 C ASP A 81 2.651 15.240 -16.352 1.00 73.20 C ATOM 1298 O ASP A 81 3.745 15.726 -16.652 1.00 44.34 O ATOM 1299 CB ASP A 81 1.163 17.274 -16.428 1.00 10.34 C ATOM 1300 CG ASP A 81 0.719 16.883 -17.828 1.00 23.20 C ATOM 1301 OD1 ASP A 81 -0.089 15.943 -17.961 1.00 60.24 O ATOM 1302 OD2 ASP A 81 1.187 17.507 -18.807 1.00 12.31 O ATOM 0 H ASP A 81 2.217 17.518 -14.207 1.00 53.03 H new ATOM 0 HA ASP A 81 0.733 15.431 -15.412 1.00 63.21 H new ATOM 0 HB2 ASP A 81 0.345 17.786 -15.920 1.00 10.34 H new ATOM 0 HB3 ASP A 81 1.988 17.983 -16.497 1.00 10.34 H new ATOM 1307 N MET A 82 2.307 13.989 -16.642 1.00 14.12 N ATOM 1308 CA MET A 82 3.205 13.056 -17.332 1.00 34.10 C ATOM 1309 C MET A 82 2.474 11.727 -17.560 1.00 54.10 C ATOM 1310 O MET A 82 2.455 11.189 -18.670 1.00 23.15 O ATOM 1311 CB MET A 82 4.485 12.827 -16.501 1.00 64.32 C ATOM 1312 CG MET A 82 5.651 12.243 -17.292 1.00 63.25 C ATOM 1313 SD MET A 82 5.309 10.602 -17.960 1.00 13.54 S ATOM 1314 CE MET A 82 6.820 10.296 -18.875 1.00 32.31 C ATOM 0 H MET A 82 1.399 13.589 -16.407 1.00 14.12 H new ATOM 0 HA MET A 82 3.495 13.480 -18.294 1.00 34.10 H new ATOM 0 HB2 MET A 82 4.796 13.777 -16.066 1.00 64.32 H new ATOM 0 HB3 MET A 82 4.252 12.158 -15.673 1.00 64.32 H new ATOM 0 HG2 MET A 82 5.899 12.917 -18.112 1.00 63.25 H new ATOM 0 HG3 MET A 82 6.528 12.190 -16.647 1.00 63.25 H new ATOM 0 HE1 MET A 82 6.766 9.316 -19.349 1.00 32.31 H new ATOM 0 HE2 MET A 82 6.944 11.063 -19.640 1.00 32.31 H new ATOM 0 HE3 MET A 82 7.670 10.323 -18.193 1.00 32.31 H new ATOM 1324 N MET A 83 1.862 11.223 -16.484 1.00 13.34 N ATOM 1325 CA MET A 83 1.015 10.018 -16.524 1.00 61.24 C ATOM 1326 C MET A 83 1.792 8.757 -16.968 1.00 1.43 C ATOM 1327 O MET A 83 2.506 8.169 -16.123 1.00 39.27 O ATOM 1328 CB MET A 83 -0.207 10.260 -17.431 1.00 1.41 C ATOM 1329 CG MET A 83 -1.078 11.426 -16.978 1.00 11.25 C ATOM 1330 SD MET A 83 -2.510 11.693 -18.044 1.00 42.22 S ATOM 1331 CE MET A 83 -3.254 13.122 -17.254 1.00 12.11 C ATOM 1332 OXT MET A 83 1.665 8.343 -18.146 1.00 39.27 O ATOM 0 H MET A 83 1.938 11.638 -15.555 1.00 13.34 H new ATOM 0 HA MET A 83 0.674 9.827 -15.506 1.00 61.24 H new ATOM 0 HB2 MET A 83 0.137 10.447 -18.448 1.00 1.41 H new ATOM 0 HB3 MET A 83 -0.813 9.354 -17.461 1.00 1.41 H new ATOM 0 HG2 MET A 83 -1.420 11.243 -15.959 1.00 11.25 H new ATOM 0 HG3 MET A 83 -0.476 12.334 -16.954 1.00 11.25 H new ATOM 0 HE1 MET A 83 -4.154 13.411 -17.797 1.00 12.11 H new ATOM 0 HE2 MET A 83 -3.515 12.874 -16.225 1.00 12.11 H new ATOM 0 HE3 MET A 83 -2.546 13.950 -17.259 1.00 12.11 H new TER 1342 MET A 83