USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 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 Single : A 1 GLY N :NH3+ 136:sc= 0.0507 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0.041) 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= -0.42 K(o=-0.42,f=-7.2!) USER MOD Single : A 6 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-4.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.7!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0.657 (180deg=0.541) USER MOD Single : A 17 SER OG : rot -130:sc= -0.228 USER MOD Single : A 19 MET CE :methyl 164:sc= 0 (180deg=-0.363) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -136:sc= 0.767 (180deg=-0.236) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 40 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0.0277 (180deg=0.0275) USER MOD Single : A 42 LYS NZ :NH3+ 147:sc= 1.81 (180deg=0.918) USER MOD Single : A 44 MET CE :methyl -166:sc= -0.0559 (180deg=-0.341) USER MOD Single : A 45 SER OG : rot -130:sc= -0.0194 USER MOD Single : A 47 GLN : amide:sc= -2.43! K(o=-2.4!,f=-1.7) USER MOD Single : A 48 CYS SG : rot 170:sc= -7.32! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 162:sc= -0.152 (180deg=-0.638) USER MOD Single : A 53 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.012) USER MOD Single : A 54 THR OG1 : rot -89:sc= 1.38 USER MOD Single : A 57 CYS SG : rot -89:sc= 1.14 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 160:sc= 0.41 USER MOD Single : A 60 SER OG : rot -38:sc= 0.77 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0.868) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.717 USER MOD Single : A 67 HIS : no HD1:sc= 0.207 K(o=0.21,f=-5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.637 K(o=-0.64,f=-1.7) USER MOD Single : A 74 LYS NZ :NH3+ -129:sc= 1.16 (180deg=0.0506) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -0.0107 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.765 5.171 -13.247 1.00 19.14 N ATOM 2 CA GLY A 1 35.530 4.511 -13.650 1.00 18.53 C ATOM 3 C GLY A 1 35.060 3.561 -12.580 1.00 18.04 C ATOM 4 O GLY A 1 35.870 2.965 -11.899 1.00 17.99 O ATOM 0 H1 GLY A 1 37.430 5.182 -14.047 1.00 19.14 H new ATOM 0 H2 GLY A 1 36.558 6.148 -12.956 1.00 19.14 H new ATOM 0 H3 GLY A 1 37.190 4.655 -12.450 1.00 19.14 H new ATOM 0 HA2 GLY A 1 34.760 5.257 -13.844 1.00 18.53 H new ATOM 0 HA3 GLY A 1 35.689 3.967 -14.581 1.00 18.53 H new ATOM 10 N HIS A 2 33.748 3.413 -12.432 1.00 17.81 N ATOM 11 CA HIS A 2 33.188 2.538 -11.399 1.00 17.49 C ATOM 12 C HIS A 2 32.801 1.178 -11.964 1.00 16.98 C ATOM 13 O HIS A 2 32.950 0.933 -13.153 1.00 17.17 O ATOM 14 CB HIS A 2 31.984 3.189 -10.678 1.00 17.97 C ATOM 15 CG HIS A 2 30.813 3.570 -11.554 1.00 18.64 C ATOM 16 ND1 HIS A 2 30.507 4.872 -11.868 1.00 19.07 N ATOM 17 CD2 HIS A 2 29.860 2.819 -12.155 1.00 19.08 C ATOM 18 CE1 HIS A 2 29.429 4.903 -12.613 1.00 19.72 C ATOM 19 NE2 HIS A 2 29.023 3.674 -12.800 1.00 19.74 N ATOM 0 H HIS A 2 33.052 3.884 -13.010 1.00 17.81 H new ATOM 0 HA HIS A 2 33.975 2.387 -10.660 1.00 17.49 H new ATOM 0 HB2 HIS A 2 31.629 2.500 -9.911 1.00 17.97 H new ATOM 0 HB3 HIS A 2 32.334 4.084 -10.165 1.00 17.97 H new ATOM 0 HD2 HIS A 2 29.780 1.742 -12.127 1.00 19.08 H new ATOM 0 HE1 HIS A 2 28.957 5.792 -13.005 1.00 19.72 H new ATOM 0 HE2 HIS A 2 28.206 3.400 -13.345 1.00 19.74 H new ATOM 28 N HIS A 3 32.304 0.306 -11.100 1.00 16.46 N ATOM 29 CA HIS A 3 31.860 -1.034 -11.499 1.00 16.07 C ATOM 30 C HIS A 3 30.340 -1.062 -11.635 1.00 15.28 C ATOM 31 O HIS A 3 29.648 -0.216 -11.056 1.00 15.31 O ATOM 32 CB HIS A 3 32.348 -2.107 -10.498 1.00 16.31 C ATOM 33 CG HIS A 3 33.838 -2.297 -10.502 1.00 16.79 C ATOM 34 ND1 HIS A 3 34.672 -1.864 -9.481 1.00 17.14 N ATOM 35 CD2 HIS A 3 34.643 -2.885 -11.412 1.00 17.13 C ATOM 36 CE1 HIS A 3 35.917 -2.181 -9.775 1.00 17.67 C ATOM 37 NE2 HIS A 3 35.925 -2.799 -10.937 1.00 17.67 N ATOM 0 H HIS A 3 32.195 0.500 -10.105 1.00 16.46 H new ATOM 0 HA HIS A 3 32.301 -1.269 -12.468 1.00 16.07 H new ATOM 0 HB2 HIS A 3 32.028 -1.828 -9.494 1.00 16.31 H new ATOM 0 HB3 HIS A 3 31.868 -3.057 -10.733 1.00 16.31 H new ATOM 0 HD2 HIS A 3 34.334 -3.339 -12.342 1.00 17.13 H new ATOM 0 HE1 HIS A 3 36.783 -1.970 -9.166 1.00 17.67 H new ATOM 0 HE2 HIS A 3 36.755 -3.157 -11.409 1.00 17.67 H new ATOM 46 N HIS A 4 29.829 -2.016 -12.387 1.00 14.74 N ATOM 47 CA HIS A 4 28.404 -2.106 -12.645 1.00 14.10 C ATOM 48 C HIS A 4 27.773 -3.191 -11.781 1.00 13.70 C ATOM 49 O HIS A 4 28.244 -4.321 -11.752 1.00 14.01 O ATOM 50 CB HIS A 4 28.148 -2.387 -14.147 1.00 13.88 C ATOM 51 CG HIS A 4 26.690 -2.370 -14.571 1.00 13.85 C ATOM 52 ND1 HIS A 4 26.090 -1.260 -15.125 1.00 14.10 N ATOM 53 CD2 HIS A 4 25.724 -3.328 -14.532 1.00 13.80 C ATOM 54 CE1 HIS A 4 24.832 -1.521 -15.401 1.00 14.18 C ATOM 55 NE2 HIS A 4 24.578 -2.764 -15.051 1.00 14.00 N ATOM 0 H HIS A 4 30.384 -2.746 -12.834 1.00 14.74 H new ATOM 0 HA HIS A 4 27.942 -1.153 -12.387 1.00 14.10 H new ATOM 0 HB2 HIS A 4 28.689 -1.646 -14.736 1.00 13.88 H new ATOM 0 HB3 HIS A 4 28.570 -3.361 -14.395 1.00 13.88 H new ATOM 0 HD2 HIS A 4 25.834 -4.338 -14.165 1.00 13.80 H new ATOM 0 HE1 HIS A 4 24.126 -0.832 -15.841 1.00 14.18 H new ATOM 0 HE2 HIS A 4 23.678 -3.234 -15.148 1.00 14.00 H new ATOM 64 N HIS A 5 26.714 -2.832 -11.087 1.00 13.18 N ATOM 65 CA HIS A 5 25.989 -3.750 -10.216 1.00 12.93 C ATOM 66 C HIS A 5 24.578 -3.204 -10.003 1.00 12.32 C ATOM 67 O HIS A 5 24.406 -1.995 -9.837 1.00 12.40 O ATOM 68 CB HIS A 5 26.763 -3.917 -8.876 1.00 13.06 C ATOM 69 CG HIS A 5 26.104 -4.786 -7.827 1.00 13.43 C ATOM 70 ND1 HIS A 5 26.241 -6.162 -7.767 1.00 13.64 N ATOM 71 CD2 HIS A 5 25.336 -4.448 -6.767 1.00 13.81 C ATOM 72 CE1 HIS A 5 25.583 -6.619 -6.714 1.00 14.12 C ATOM 73 NE2 HIS A 5 25.034 -5.594 -6.099 1.00 14.24 N ATOM 0 H HIS A 5 26.324 -1.890 -11.107 1.00 13.18 H new ATOM 0 HA HIS A 5 25.909 -4.738 -10.669 1.00 12.93 H new ATOM 0 HB2 HIS A 5 27.746 -4.333 -9.098 1.00 13.06 H new ATOM 0 HB3 HIS A 5 26.925 -2.928 -8.449 1.00 13.06 H new ATOM 0 HD2 HIS A 5 25.020 -3.451 -6.499 1.00 13.81 H new ATOM 0 HE1 HIS A 5 25.509 -7.653 -6.412 1.00 14.12 H new ATOM 0 HE2 HIS A 5 24.469 -5.650 -5.252 1.00 14.24 H new ATOM 82 N HIS A 6 23.567 -4.083 -10.039 1.00 11.88 N ATOM 83 CA HIS A 6 22.166 -3.655 -9.854 1.00 11.42 C ATOM 84 C HIS A 6 22.018 -3.034 -8.470 1.00 10.42 C ATOM 85 O HIS A 6 22.448 -3.619 -7.482 1.00 10.22 O ATOM 86 CB HIS A 6 21.183 -4.864 -10.023 1.00 11.97 C ATOM 87 CG HIS A 6 19.692 -4.520 -9.964 1.00 12.55 C ATOM 88 ND1 HIS A 6 18.847 -4.876 -8.912 1.00 12.82 N ATOM 89 CD2 HIS A 6 18.897 -3.874 -10.858 1.00 13.11 C ATOM 90 CE1 HIS A 6 17.629 -4.461 -9.170 1.00 13.49 C ATOM 91 NE2 HIS A 6 17.623 -3.853 -10.336 1.00 13.67 N ATOM 0 H HIS A 6 23.686 -5.084 -10.192 1.00 11.88 H new ATOM 0 HA HIS A 6 21.913 -2.917 -10.615 1.00 11.42 H new ATOM 0 HB2 HIS A 6 21.389 -5.345 -10.979 1.00 11.97 H new ATOM 0 HB3 HIS A 6 21.399 -5.596 -9.245 1.00 11.97 H new ATOM 0 HD2 HIS A 6 19.208 -3.455 -11.804 1.00 13.11 H new ATOM 0 HE1 HIS A 6 16.771 -4.597 -8.529 1.00 13.49 H new ATOM 0 HE2 HIS A 6 16.807 -3.434 -10.782 1.00 13.67 H new ATOM 100 N HIS A 7 21.456 -1.834 -8.405 1.00 9.98 N ATOM 101 CA HIS A 7 21.253 -1.174 -7.117 1.00 9.18 C ATOM 102 C HIS A 7 20.221 -1.917 -6.294 1.00 9.04 C ATOM 103 O HIS A 7 19.407 -2.645 -6.863 1.00 9.71 O ATOM 104 CB HIS A 7 20.894 0.316 -7.267 1.00 9.12 C ATOM 105 CG HIS A 7 22.017 1.175 -7.809 1.00 9.44 C ATOM 106 ND1 HIS A 7 21.944 1.868 -8.999 1.00 9.56 N ATOM 107 CD2 HIS A 7 23.233 1.475 -7.284 1.00 9.92 C ATOM 108 CE1 HIS A 7 23.061 2.547 -9.180 1.00 10.08 C ATOM 109 NE2 HIS A 7 23.861 2.330 -8.152 1.00 10.30 N ATOM 0 H HIS A 7 21.136 -1.302 -9.214 1.00 9.98 H new ATOM 0 HA HIS A 7 22.203 -1.205 -6.584 1.00 9.18 H new ATOM 0 HB2 HIS A 7 20.032 0.405 -7.928 1.00 9.12 H new ATOM 0 HB3 HIS A 7 20.592 0.705 -6.295 1.00 9.12 H new ATOM 0 HD2 HIS A 7 23.633 1.106 -6.351 1.00 9.92 H new ATOM 0 HE1 HIS A 7 23.284 3.176 -10.029 1.00 10.08 H new ATOM 0 HE2 HIS A 7 24.790 2.731 -8.025 1.00 10.30 H new ATOM 118 N LEU A 8 20.282 -1.729 -4.961 1.00 8.37 N ATOM 119 CA LEU A 8 19.415 -2.406 -3.946 1.00 8.37 C ATOM 120 C LEU A 8 19.951 -3.806 -3.596 1.00 8.86 C ATOM 121 O LEU A 8 19.591 -4.382 -2.571 1.00 9.23 O ATOM 122 CB LEU A 8 17.925 -2.479 -4.385 1.00 9.01 C ATOM 123 CG LEU A 8 17.217 -1.147 -4.681 1.00 9.38 C ATOM 124 CD1 LEU A 8 15.802 -1.402 -5.189 1.00 9.11 C ATOM 125 CD2 LEU A 8 17.180 -0.261 -3.436 1.00 10.10 C ATOM 0 H LEU A 8 20.951 -1.086 -4.537 1.00 8.37 H new ATOM 0 HA LEU A 8 19.453 -1.789 -3.048 1.00 8.37 H new ATOM 0 HB2 LEU A 8 17.866 -3.100 -5.279 1.00 9.01 H new ATOM 0 HB3 LEU A 8 17.366 -2.993 -3.603 1.00 9.01 H new ATOM 0 HG LEU A 8 17.781 -0.626 -5.454 1.00 9.38 H new ATOM 0 HD11 LEU A 8 15.312 -0.450 -5.395 1.00 9.11 H new ATOM 0 HD12 LEU A 8 15.845 -1.993 -6.104 1.00 9.11 H new ATOM 0 HD13 LEU A 8 15.236 -1.945 -4.432 1.00 9.11 H new ATOM 0 HD21 LEU A 8 16.674 0.676 -3.671 1.00 10.10 H new ATOM 0 HD22 LEU A 8 16.641 -0.775 -2.640 1.00 10.10 H new ATOM 0 HD23 LEU A 8 18.198 -0.051 -3.108 1.00 10.10 H new ATOM 137 N GLU A 9 20.825 -4.338 -4.440 1.00 9.12 N ATOM 138 CA GLU A 9 21.383 -5.658 -4.214 1.00 9.86 C ATOM 139 C GLU A 9 22.613 -5.565 -3.333 1.00 9.89 C ATOM 140 O GLU A 9 23.694 -5.202 -3.831 1.00 10.56 O ATOM 141 CB GLU A 9 21.825 -6.318 -5.530 1.00 10.56 C ATOM 142 CG GLU A 9 20.796 -6.361 -6.638 1.00 11.13 C ATOM 143 CD GLU A 9 19.510 -7.010 -6.238 1.00 11.53 C ATOM 144 OE1 GLU A 9 19.581 -7.989 -5.468 1.00 11.87 O ATOM 145 OE2 GLU A 9 18.442 -6.547 -6.689 1.00 11.70 O ATOM 0 H GLU A 9 21.160 -3.875 -5.285 1.00 9.12 H new ATOM 0 HA GLU A 9 20.600 -6.252 -3.742 1.00 9.86 H new ATOM 0 HB2 GLU A 9 22.704 -5.789 -5.900 1.00 10.56 H new ATOM 0 HB3 GLU A 9 22.136 -7.340 -5.312 1.00 10.56 H new ATOM 0 HG2 GLU A 9 20.591 -5.344 -6.971 1.00 11.13 H new ATOM 0 HG3 GLU A 9 21.214 -6.897 -7.490 1.00 11.13 H new ATOM 152 N GLY A 10 22.467 -5.859 -2.060 1.00 9.36 N ATOM 153 CA GLY A 10 23.616 -5.856 -1.153 1.00 9.60 C ATOM 154 C GLY A 10 24.048 -4.453 -0.747 1.00 8.87 C ATOM 155 O GLY A 10 24.259 -3.578 -1.609 1.00 9.04 O ATOM 0 H GLY A 10 21.578 -6.102 -1.623 1.00 9.36 H new ATOM 0 HA2 GLY A 10 23.368 -6.427 -0.258 1.00 9.60 H new ATOM 0 HA3 GLY A 10 24.453 -6.363 -1.633 1.00 9.60 H new ATOM 159 N GLY A 11 24.202 -4.247 0.547 1.00 8.30 N ATOM 160 CA GLY A 11 24.539 -2.942 1.073 1.00 7.80 C ATOM 161 C GLY A 11 25.996 -2.585 0.867 1.00 8.13 C ATOM 162 O GLY A 11 26.808 -2.721 1.774 1.00 8.45 O ATOM 0 H GLY A 11 24.098 -4.973 1.256 1.00 8.30 H new ATOM 0 HA2 GLY A 11 23.914 -2.189 0.593 1.00 7.80 H new ATOM 0 HA3 GLY A 11 24.310 -2.914 2.138 1.00 7.80 H new ATOM 166 N GLY A 12 26.334 -2.134 -0.322 1.00 8.34 N ATOM 167 CA GLY A 12 27.701 -1.754 -0.611 1.00 8.95 C ATOM 168 C GLY A 12 27.854 -0.265 -0.861 1.00 8.79 C ATOM 169 O GLY A 12 28.582 0.156 -1.768 1.00 9.24 O ATOM 0 H GLY A 12 25.685 -2.022 -1.101 1.00 8.34 H new ATOM 0 HA2 GLY A 12 28.339 -2.046 0.223 1.00 8.95 H new ATOM 0 HA3 GLY A 12 28.049 -2.303 -1.486 1.00 8.95 H new ATOM 173 N ASN A 13 27.177 0.543 -0.053 1.00 8.39 N ATOM 174 CA ASN A 13 27.217 2.007 -0.194 1.00 8.53 C ATOM 175 C ASN A 13 27.614 2.669 1.129 1.00 9.29 C ATOM 176 O ASN A 13 27.169 2.245 2.191 1.00 9.68 O ATOM 177 CB ASN A 13 25.877 2.571 -0.719 1.00 8.84 C ATOM 178 CG ASN A 13 25.546 2.181 -2.167 1.00 9.25 C ATOM 179 OD1 ASN A 13 24.377 2.049 -2.533 1.00 9.50 O ATOM 180 ND2 ASN A 13 26.552 2.001 -2.996 1.00 9.58 N ATOM 0 H ASN A 13 26.589 0.214 0.713 1.00 8.39 H new ATOM 0 HA ASN A 13 27.978 2.244 -0.937 1.00 8.53 H new ATOM 0 HB2 ASN A 13 25.072 2.225 -0.070 1.00 8.84 H new ATOM 0 HB3 ASN A 13 25.901 3.658 -0.645 1.00 8.84 H new ATOM 0 HD21 ASN A 13 26.373 1.746 -3.967 1.00 9.58 H new ATOM 0 HD22 ASN A 13 27.511 2.117 -2.667 1.00 9.58 H new ATOM 187 N ALA A 14 28.439 3.716 1.043 1.00 9.70 N ATOM 188 CA ALA A 14 29.040 4.366 2.219 1.00 10.58 C ATOM 189 C ALA A 14 28.191 5.495 2.809 1.00 11.08 C ATOM 190 O ALA A 14 27.263 5.978 2.176 1.00 11.12 O ATOM 191 CB ALA A 14 30.438 4.876 1.875 1.00 10.70 C ATOM 0 H ALA A 14 28.712 4.140 0.156 1.00 9.70 H new ATOM 0 HA ALA A 14 29.098 3.602 2.994 1.00 10.58 H new ATOM 0 HB1 ALA A 14 30.876 5.356 2.750 1.00 10.70 H new ATOM 0 HB2 ALA A 14 31.065 4.039 1.568 1.00 10.70 H new ATOM 0 HB3 ALA A 14 30.372 5.598 1.061 1.00 10.70 H new ATOM 197 N GLN A 15 28.570 5.903 4.045 1.00 11.67 N ATOM 198 CA GLN A 15 27.902 6.969 4.846 1.00 12.40 C ATOM 199 C GLN A 15 26.528 6.465 5.365 1.00 12.25 C ATOM 200 O GLN A 15 26.138 5.315 5.070 1.00 12.05 O ATOM 201 CB GLN A 15 27.792 8.305 4.031 1.00 13.27 C ATOM 202 CG GLN A 15 27.340 9.535 4.834 1.00 13.75 C ATOM 203 CD GLN A 15 27.266 10.803 3.995 1.00 14.68 C ATOM 204 OE1 GLN A 15 28.237 11.535 3.879 1.00 15.07 O ATOM 205 NE2 GLN A 15 26.112 11.080 3.430 1.00 15.18 N ATOM 0 H GLN A 15 29.369 5.492 4.528 1.00 11.67 H new ATOM 0 HA GLN A 15 28.515 7.196 5.719 1.00 12.40 H new ATOM 0 HB2 GLN A 15 28.764 8.520 3.587 1.00 13.27 H new ATOM 0 HB3 GLN A 15 27.092 8.152 3.209 1.00 13.27 H new ATOM 0 HG2 GLN A 15 26.361 9.337 5.269 1.00 13.75 H new ATOM 0 HG3 GLN A 15 28.031 9.694 5.662 1.00 13.75 H new ATOM 0 HE21 GLN A 15 25.321 10.446 3.548 1.00 15.18 H new ATOM 0 HE22 GLN A 15 26.007 11.929 2.874 1.00 15.18 H new ATOM 214 N LYS A 16 25.867 7.264 6.221 1.00 12.53 N ATOM 215 CA LYS A 16 24.510 7.003 6.731 1.00 12.66 C ATOM 216 C LYS A 16 24.463 5.907 7.799 1.00 11.86 C ATOM 217 O LYS A 16 23.983 6.127 8.911 1.00 12.01 O ATOM 218 CB LYS A 16 23.545 6.724 5.571 1.00 12.80 C ATOM 219 CG LYS A 16 22.145 6.277 5.953 1.00 13.55 C ATOM 220 CD LYS A 16 21.380 7.326 6.730 1.00 14.34 C ATOM 221 CE LYS A 16 20.005 6.796 7.093 1.00 15.06 C ATOM 222 NZ LYS A 16 19.231 6.410 5.892 1.00 15.42 N ATOM 0 H LYS A 16 26.270 8.127 6.585 1.00 12.53 H new ATOM 0 HA LYS A 16 24.181 7.909 7.240 1.00 12.66 H new ATOM 0 HB2 LYS A 16 23.463 7.629 4.969 1.00 12.80 H new ATOM 0 HB3 LYS A 16 23.987 5.957 4.935 1.00 12.80 H new ATOM 0 HG2 LYS A 16 21.590 6.026 5.049 1.00 13.55 H new ATOM 0 HG3 LYS A 16 22.210 5.367 6.549 1.00 13.55 H new ATOM 0 HD2 LYS A 16 21.927 7.593 7.634 1.00 14.34 H new ATOM 0 HD3 LYS A 16 21.284 8.234 6.135 1.00 14.34 H new ATOM 0 HE2 LYS A 16 20.110 5.933 7.751 1.00 15.06 H new ATOM 0 HE3 LYS A 16 19.457 7.557 7.650 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 18.269 6.133 6.173 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 19.182 7.216 5.237 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 19.698 5.609 5.421 1.00 15.42 H new ATOM 236 N SER A 17 24.943 4.762 7.461 1.00 11.21 N ATOM 237 CA SER A 17 24.940 3.633 8.345 1.00 10.50 C ATOM 238 C SER A 17 26.293 2.991 8.359 1.00 10.66 C ATOM 239 O SER A 17 26.419 1.816 8.670 1.00 10.17 O ATOM 240 CB SER A 17 23.858 2.671 7.899 1.00 10.42 C ATOM 241 OG SER A 17 22.606 3.320 7.865 1.00 10.72 O ATOM 0 H SER A 17 25.358 4.573 6.548 1.00 11.21 H new ATOM 0 HA SER A 17 24.723 3.946 9.366 1.00 10.50 H new ATOM 0 HB2 SER A 17 24.097 2.277 6.911 1.00 10.42 H new ATOM 0 HB3 SER A 17 23.816 1.821 8.580 1.00 10.42 H new ATOM 0 HG SER A 17 21.945 2.781 8.348 1.00 10.72 H new ATOM 247 N ALA A 18 27.327 3.803 8.063 1.00 11.52 N ATOM 248 CA ALA A 18 28.718 3.332 8.016 1.00 11.99 C ATOM 249 C ALA A 18 28.829 2.150 7.053 1.00 11.45 C ATOM 250 O ALA A 18 29.534 1.180 7.312 1.00 11.42 O ATOM 251 CB ALA A 18 29.195 2.956 9.418 1.00 13.14 C ATOM 0 H ALA A 18 27.219 4.795 7.852 1.00 11.52 H new ATOM 0 HA ALA A 18 29.361 4.132 7.650 1.00 11.99 H new ATOM 0 HB1 ALA A 18 30.227 2.608 9.370 1.00 13.14 H new ATOM 0 HB2 ALA A 18 29.136 3.828 10.069 1.00 13.14 H new ATOM 0 HB3 ALA A 18 28.563 2.162 9.817 1.00 13.14 H new ATOM 257 N MET A 19 28.131 2.287 5.918 1.00 11.20 N ATOM 258 CA MET A 19 28.068 1.266 4.852 1.00 10.90 C ATOM 259 C MET A 19 27.108 0.144 5.186 1.00 9.99 C ATOM 260 O MET A 19 27.031 -0.816 4.442 1.00 9.63 O ATOM 261 CB MET A 19 29.461 0.668 4.458 1.00 11.94 C ATOM 262 CG MET A 19 30.499 1.651 3.931 1.00 12.49 C ATOM 263 SD MET A 19 32.085 0.854 3.572 1.00 13.40 S ATOM 264 CE MET A 19 33.079 2.249 3.033 1.00 14.08 C ATOM 0 H MET A 19 27.584 3.122 5.707 1.00 11.20 H new ATOM 0 HA MET A 19 27.694 1.809 3.984 1.00 10.90 H new ATOM 0 HB2 MET A 19 29.877 0.169 5.333 1.00 11.94 H new ATOM 0 HB3 MET A 19 29.301 -0.098 3.700 1.00 11.94 H new ATOM 0 HG2 MET A 19 30.120 2.124 3.025 1.00 12.49 H new ATOM 0 HG3 MET A 19 30.651 2.443 4.665 1.00 12.49 H new ATOM 0 HE1 MET A 19 34.133 1.973 3.052 1.00 14.08 H new ATOM 0 HE2 MET A 19 32.795 2.527 2.018 1.00 14.08 H new ATOM 0 HE3 MET A 19 32.913 3.094 3.701 1.00 14.08 H new ATOM 274 N ALA A 20 26.353 0.244 6.286 1.00 9.77 N ATOM 275 CA ALA A 20 25.411 -0.831 6.585 1.00 9.13 C ATOM 276 C ALA A 20 24.201 -0.717 5.665 1.00 8.17 C ATOM 277 O ALA A 20 23.599 -1.713 5.284 1.00 7.84 O ATOM 278 CB ALA A 20 24.997 -0.810 8.054 1.00 9.45 C ATOM 0 H ALA A 20 26.373 1.017 6.951 1.00 9.77 H new ATOM 0 HA ALA A 20 25.899 -1.789 6.406 1.00 9.13 H new ATOM 0 HB1 ALA A 20 24.295 -1.622 8.246 1.00 9.45 H new ATOM 0 HB2 ALA A 20 25.879 -0.936 8.682 1.00 9.45 H new ATOM 0 HB3 ALA A 20 24.521 0.143 8.284 1.00 9.45 H new ATOM 284 N ARG A 21 23.882 0.517 5.288 1.00 7.98 N ATOM 285 CA ARG A 21 22.759 0.842 4.442 1.00 7.29 C ATOM 286 C ARG A 21 22.702 2.354 4.164 1.00 7.26 C ATOM 287 O ARG A 21 22.071 3.089 4.882 1.00 7.10 O ATOM 288 CB ARG A 21 21.423 0.335 5.067 1.00 7.43 C ATOM 289 CG ARG A 21 21.220 0.748 6.529 1.00 8.11 C ATOM 290 CD ARG A 21 19.992 0.123 7.150 1.00 8.51 C ATOM 291 NE ARG A 21 19.897 0.473 8.585 1.00 8.99 N ATOM 292 CZ ARG A 21 19.189 -0.200 9.497 1.00 9.65 C ATOM 293 NH1 ARG A 21 18.475 -1.273 9.142 1.00 9.90 N ATOM 294 NH2 ARG A 21 19.211 0.191 10.766 1.00 10.29 N ATOM 0 H ARG A 21 24.418 1.336 5.575 1.00 7.98 H new ATOM 0 HA ARG A 21 22.895 0.331 3.489 1.00 7.29 H new ATOM 0 HB2 ARG A 21 20.590 0.714 4.475 1.00 7.43 H new ATOM 0 HB3 ARG A 21 21.393 -0.753 5.000 1.00 7.43 H new ATOM 0 HG2 ARG A 21 22.099 0.463 7.107 1.00 8.11 H new ATOM 0 HG3 ARG A 21 21.138 1.833 6.587 1.00 8.11 H new ATOM 0 HD2 ARG A 21 19.099 0.466 6.627 1.00 8.51 H new ATOM 0 HD3 ARG A 21 20.032 -0.960 7.036 1.00 8.51 H new ATOM 0 HE ARG A 21 20.413 1.293 8.903 1.00 8.99 H new ATOM 0 HH11 ARG A 21 18.468 -1.582 8.170 1.00 9.90 H new ATOM 0 HH12 ARG A 21 17.937 -1.782 9.843 1.00 9.90 H new ATOM 0 HH21 ARG A 21 19.766 1.001 11.040 1.00 10.29 H new ATOM 0 HH22 ARG A 21 18.672 -0.319 11.466 1.00 10.29 H new ATOM 308 N ALA A 22 23.459 2.824 3.174 1.00 7.72 N ATOM 309 CA ALA A 22 23.358 4.244 2.802 1.00 8.05 C ATOM 310 C ALA A 22 21.956 4.595 2.270 1.00 7.56 C ATOM 311 O ALA A 22 21.103 5.111 3.002 1.00 7.73 O ATOM 312 CB ALA A 22 24.434 4.649 1.814 1.00 9.15 C ATOM 0 H ALA A 22 24.125 2.274 2.631 1.00 7.72 H new ATOM 0 HA ALA A 22 23.520 4.820 3.713 1.00 8.05 H new ATOM 0 HB1 ALA A 22 24.322 5.705 1.567 1.00 9.15 H new ATOM 0 HB2 ALA A 22 25.416 4.482 2.257 1.00 9.15 H new ATOM 0 HB3 ALA A 22 24.339 4.052 0.907 1.00 9.15 H new ATOM 318 N LYS A 23 21.733 4.328 1.004 1.00 7.27 N ATOM 319 CA LYS A 23 20.422 4.504 0.375 1.00 7.12 C ATOM 320 C LYS A 23 20.145 3.242 -0.369 1.00 6.46 C ATOM 321 O LYS A 23 19.270 3.169 -1.225 1.00 6.78 O ATOM 322 CB LYS A 23 20.452 5.644 -0.640 1.00 8.04 C ATOM 323 CG LYS A 23 20.896 6.991 -0.070 1.00 8.77 C ATOM 324 CD LYS A 23 20.788 8.127 -1.101 1.00 9.62 C ATOM 325 CE LYS A 23 19.343 8.385 -1.510 1.00 10.49 C ATOM 326 NZ LYS A 23 19.220 9.534 -2.440 1.00 11.12 N ATOM 0 H LYS A 23 22.452 3.981 0.369 1.00 7.27 H new ATOM 0 HA LYS A 23 19.671 4.731 1.132 1.00 7.12 H new ATOM 0 HB2 LYS A 23 21.122 5.370 -1.455 1.00 8.04 H new ATOM 0 HB3 LYS A 23 19.457 5.756 -1.070 1.00 8.04 H new ATOM 0 HG2 LYS A 23 20.285 7.234 0.800 1.00 8.77 H new ATOM 0 HG3 LYS A 23 21.927 6.914 0.276 1.00 8.77 H new ATOM 0 HD2 LYS A 23 21.216 9.038 -0.684 1.00 9.62 H new ATOM 0 HD3 LYS A 23 21.376 7.874 -1.983 1.00 9.62 H new ATOM 0 HE2 LYS A 23 18.936 7.491 -1.984 1.00 10.49 H new ATOM 0 HE3 LYS A 23 18.744 8.575 -0.620 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 18.220 9.672 -2.691 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 19.583 10.393 -1.980 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 19.770 9.343 -3.302 1.00 11.12 H new ATOM 340 N ASN A 24 20.909 2.250 -0.019 1.00 5.86 N ATOM 341 CA ASN A 24 20.908 1.003 -0.717 1.00 5.58 C ATOM 342 C ASN A 24 19.800 0.067 -0.236 1.00 5.25 C ATOM 343 O ASN A 24 19.220 -0.645 -1.027 1.00 5.71 O ATOM 344 CB ASN A 24 22.274 0.332 -0.569 1.00 5.59 C ATOM 345 CG ASN A 24 22.335 -1.057 -1.171 1.00 6.03 C ATOM 346 OD1 ASN A 24 22.024 -2.025 -0.512 1.00 6.46 O ATOM 347 ND2 ASN A 24 22.773 -1.159 -2.402 1.00 6.29 N ATOM 0 H ASN A 24 21.557 2.286 0.768 1.00 5.86 H new ATOM 0 HA ASN A 24 20.711 1.212 -1.768 1.00 5.58 H new ATOM 0 HB2 ASN A 24 23.030 0.958 -1.043 1.00 5.59 H new ATOM 0 HB3 ASN A 24 22.527 0.272 0.489 1.00 5.59 H new ATOM 0 HD21 ASN A 24 22.862 -2.077 -2.837 1.00 6.29 H new ATOM 0 HD22 ASN A 24 23.025 -0.320 -2.925 1.00 6.29 H new ATOM 354 N LEU A 25 19.504 0.090 1.048 1.00 4.87 N ATOM 355 CA LEU A 25 18.548 -0.847 1.589 1.00 4.97 C ATOM 356 C LEU A 25 17.366 -0.092 2.220 1.00 4.70 C ATOM 357 O LEU A 25 16.339 0.061 1.592 1.00 4.86 O ATOM 358 CB LEU A 25 19.267 -1.803 2.618 1.00 5.36 C ATOM 359 CG LEU A 25 18.523 -3.089 3.110 1.00 6.04 C ATOM 360 CD1 LEU A 25 17.225 -2.801 3.846 1.00 6.81 C ATOM 361 CD2 LEU A 25 18.292 -4.051 1.966 1.00 6.58 C ATOM 0 H LEU A 25 19.906 0.738 1.725 1.00 4.87 H new ATOM 0 HA LEU A 25 18.142 -1.467 0.790 1.00 4.97 H new ATOM 0 HB2 LEU A 25 20.209 -2.119 2.170 1.00 5.36 H new ATOM 0 HB3 LEU A 25 19.516 -1.210 3.498 1.00 5.36 H new ATOM 0 HG LEU A 25 19.184 -3.556 3.840 1.00 6.04 H new ATOM 0 HD11 LEU A 25 16.767 -3.740 4.156 1.00 6.81 H new ATOM 0 HD12 LEU A 25 17.433 -2.191 4.725 1.00 6.81 H new ATOM 0 HD13 LEU A 25 16.543 -2.265 3.185 1.00 6.81 H new ATOM 0 HD21 LEU A 25 17.774 -4.936 2.334 1.00 6.58 H new ATOM 0 HD22 LEU A 25 17.685 -3.567 1.201 1.00 6.58 H new ATOM 0 HD23 LEU A 25 19.251 -4.344 1.538 1.00 6.58 H new ATOM 373 N GLU A 26 17.567 0.426 3.452 1.00 4.76 N ATOM 374 CA GLU A 26 16.536 1.159 4.217 1.00 4.96 C ATOM 375 C GLU A 26 15.191 0.421 4.364 1.00 4.83 C ATOM 376 O GLU A 26 14.326 0.501 3.501 1.00 4.95 O ATOM 377 CB GLU A 26 16.362 2.601 3.741 1.00 5.70 C ATOM 378 CG GLU A 26 17.568 3.473 4.051 1.00 6.48 C ATOM 379 CD GLU A 26 17.821 3.582 5.550 1.00 7.27 C ATOM 380 OE1 GLU A 26 18.471 2.690 6.115 1.00 7.68 O ATOM 381 OE2 GLU A 26 17.368 4.579 6.173 1.00 7.70 O ATOM 0 H GLU A 26 18.456 0.346 3.946 1.00 4.76 H new ATOM 0 HA GLU A 26 16.935 1.202 5.230 1.00 4.96 H new ATOM 0 HB2 GLU A 26 16.183 2.605 2.666 1.00 5.70 H new ATOM 0 HB3 GLU A 26 15.478 3.030 4.213 1.00 5.70 H new ATOM 0 HG2 GLU A 26 18.450 3.059 3.563 1.00 6.48 H new ATOM 0 HG3 GLU A 26 17.412 4.469 3.636 1.00 6.48 H new ATOM 388 N LYS A 27 15.050 -0.288 5.508 1.00 5.08 N ATOM 389 CA LYS A 27 13.835 -1.060 5.869 1.00 5.48 C ATOM 390 C LYS A 27 13.675 -2.310 4.980 1.00 5.57 C ATOM 391 O LYS A 27 13.248 -2.237 3.846 1.00 6.04 O ATOM 392 CB LYS A 27 12.570 -0.188 5.826 1.00 6.20 C ATOM 393 CG LYS A 27 12.620 1.080 6.685 1.00 6.72 C ATOM 394 CD LYS A 27 12.751 0.786 8.178 1.00 7.40 C ATOM 395 CE LYS A 27 12.821 2.091 8.971 1.00 8.14 C ATOM 396 NZ LYS A 27 12.872 1.870 10.444 1.00 8.86 N ATOM 0 H LYS A 27 15.784 -0.342 6.215 1.00 5.08 H new ATOM 0 HA LYS A 27 13.966 -1.396 6.898 1.00 5.48 H new ATOM 0 HB2 LYS A 27 12.382 0.101 4.792 1.00 6.20 H new ATOM 0 HB3 LYS A 27 11.721 -0.792 6.147 1.00 6.20 H new ATOM 0 HG2 LYS A 27 13.462 1.695 6.366 1.00 6.72 H new ATOM 0 HG3 LYS A 27 11.716 1.664 6.514 1.00 6.72 H new ATOM 0 HD2 LYS A 27 11.901 0.193 8.515 1.00 7.40 H new ATOM 0 HD3 LYS A 27 13.647 0.192 8.362 1.00 7.40 H new ATOM 0 HE2 LYS A 27 13.703 2.652 8.662 1.00 8.14 H new ATOM 0 HE3 LYS A 27 11.953 2.704 8.730 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 12.918 2.788 10.931 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 12.019 1.359 10.748 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 13.715 1.309 10.682 1.00 8.86 H new ATOM 410 N ALA A 28 14.025 -3.439 5.536 1.00 5.50 N ATOM 411 CA ALA A 28 14.030 -4.701 4.804 1.00 5.97 C ATOM 412 C ALA A 28 12.628 -5.210 4.517 1.00 6.23 C ATOM 413 O ALA A 28 12.279 -5.497 3.381 1.00 6.48 O ATOM 414 CB ALA A 28 14.823 -5.754 5.575 1.00 6.27 C ATOM 0 H ALA A 28 14.317 -3.522 6.510 1.00 5.50 H new ATOM 0 HA ALA A 28 14.509 -4.513 3.843 1.00 5.97 H new ATOM 0 HB1 ALA A 28 14.820 -6.691 5.019 1.00 6.27 H new ATOM 0 HB2 ALA A 28 15.850 -5.413 5.705 1.00 6.27 H new ATOM 0 HB3 ALA A 28 14.366 -5.910 6.552 1.00 6.27 H new ATOM 420 N LYS A 29 11.832 -5.330 5.551 1.00 6.51 N ATOM 421 CA LYS A 29 10.479 -5.851 5.399 1.00 7.02 C ATOM 422 C LYS A 29 9.463 -4.766 5.706 1.00 6.93 C ATOM 423 O LYS A 29 8.268 -5.011 5.756 1.00 7.10 O ATOM 424 CB LYS A 29 10.257 -7.092 6.294 1.00 7.79 C ATOM 425 CG LYS A 29 11.190 -8.261 5.968 1.00 8.36 C ATOM 426 CD LYS A 29 10.871 -9.498 6.802 1.00 9.07 C ATOM 427 CE LYS A 29 11.822 -10.647 6.479 1.00 9.70 C ATOM 428 NZ LYS A 29 11.464 -11.894 7.204 1.00 10.01 N ATOM 0 H LYS A 29 12.088 -5.078 6.506 1.00 6.51 H new ATOM 0 HA LYS A 29 10.344 -6.166 4.364 1.00 7.02 H new ATOM 0 HB2 LYS A 29 10.397 -6.807 7.337 1.00 7.79 H new ATOM 0 HB3 LYS A 29 9.224 -7.424 6.190 1.00 7.79 H new ATOM 0 HG2 LYS A 29 11.107 -8.507 4.909 1.00 8.36 H new ATOM 0 HG3 LYS A 29 12.223 -7.961 6.145 1.00 8.36 H new ATOM 0 HD2 LYS A 29 10.941 -9.252 7.862 1.00 9.07 H new ATOM 0 HD3 LYS A 29 9.844 -9.810 6.615 1.00 9.07 H new ATOM 0 HE2 LYS A 29 11.809 -10.836 5.406 1.00 9.70 H new ATOM 0 HE3 LYS A 29 12.840 -10.357 6.739 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 12.137 -12.646 6.954 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 11.502 -11.723 8.229 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 10.502 -12.187 6.937 1.00 10.01 H new ATOM 442 N ALA A 30 9.955 -3.566 5.869 1.00 7.00 N ATOM 443 CA ALA A 30 9.108 -2.419 6.159 1.00 7.22 C ATOM 444 C ALA A 30 9.223 -1.390 5.028 1.00 7.17 C ATOM 445 O ALA A 30 8.891 -0.218 5.193 1.00 7.27 O ATOM 446 CB ALA A 30 9.512 -1.811 7.496 1.00 7.43 C ATOM 0 H ALA A 30 10.949 -3.347 5.807 1.00 7.00 H new ATOM 0 HA ALA A 30 8.068 -2.737 6.226 1.00 7.22 H new ATOM 0 HB1 ALA A 30 8.877 -0.952 7.712 1.00 7.43 H new ATOM 0 HB2 ALA A 30 9.396 -2.555 8.284 1.00 7.43 H new ATOM 0 HB3 ALA A 30 10.553 -1.490 7.450 1.00 7.43 H new ATOM 452 N ALA A 31 9.671 -1.870 3.876 1.00 7.30 N ATOM 453 CA ALA A 31 9.847 -1.046 2.683 1.00 7.49 C ATOM 454 C ALA A 31 8.505 -0.723 2.036 1.00 7.26 C ATOM 455 O ALA A 31 7.605 -1.572 1.981 1.00 7.29 O ATOM 456 CB ALA A 31 10.744 -1.764 1.680 1.00 8.16 C ATOM 0 H ALA A 31 9.925 -2.848 3.740 1.00 7.30 H new ATOM 0 HA ALA A 31 10.316 -0.110 2.985 1.00 7.49 H new ATOM 0 HB1 ALA A 31 10.869 -1.142 0.794 1.00 8.16 H new ATOM 0 HB2 ALA A 31 11.718 -1.952 2.132 1.00 8.16 H new ATOM 0 HB3 ALA A 31 10.287 -2.712 1.396 1.00 8.16 H new ATOM 462 N GLY A 32 8.373 0.487 1.545 1.00 7.31 N ATOM 463 CA GLY A 32 7.138 0.909 0.935 1.00 7.37 C ATOM 464 C GLY A 32 7.181 0.905 -0.588 1.00 7.39 C ATOM 465 O GLY A 32 7.743 -0.024 -1.210 1.00 7.69 O ATOM 0 H GLY A 32 9.107 1.195 1.557 1.00 7.31 H new ATOM 0 HA2 GLY A 32 6.334 0.254 1.270 1.00 7.37 H new ATOM 0 HA3 GLY A 32 6.895 1.914 1.281 1.00 7.37 H new ATOM 469 N LYS A 33 6.569 1.938 -1.186 1.00 7.33 N ATOM 470 CA LYS A 33 6.455 2.114 -2.645 1.00 7.58 C ATOM 471 C LYS A 33 6.468 3.617 -2.992 1.00 7.81 C ATOM 472 O LYS A 33 5.862 4.050 -3.989 1.00 8.09 O ATOM 473 CB LYS A 33 5.130 1.462 -3.157 1.00 7.70 C ATOM 474 CG LYS A 33 5.075 -0.064 -3.005 1.00 7.71 C ATOM 475 CD LYS A 33 6.144 -0.735 -3.864 1.00 8.10 C ATOM 476 CE LYS A 33 6.217 -2.239 -3.629 1.00 8.68 C ATOM 477 NZ LYS A 33 6.634 -2.552 -2.238 1.00 8.86 N ATOM 0 H LYS A 33 6.129 2.692 -0.659 1.00 7.33 H new ATOM 0 HA LYS A 33 7.301 1.628 -3.131 1.00 7.58 H new ATOM 0 HB2 LYS A 33 4.291 1.899 -2.616 1.00 7.70 H new ATOM 0 HB3 LYS A 33 4.997 1.715 -4.209 1.00 7.70 H new ATOM 0 HG2 LYS A 33 5.220 -0.335 -1.959 1.00 7.71 H new ATOM 0 HG3 LYS A 33 4.089 -0.427 -3.295 1.00 7.71 H new ATOM 0 HD2 LYS A 33 5.934 -0.544 -4.916 1.00 8.10 H new ATOM 0 HD3 LYS A 33 7.114 -0.288 -3.647 1.00 8.10 H new ATOM 0 HE2 LYS A 33 5.244 -2.687 -3.828 1.00 8.68 H new ATOM 0 HE3 LYS A 33 6.922 -2.684 -4.331 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 7.342 -3.313 -2.251 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 7.046 -1.703 -1.800 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 5.806 -2.859 -1.688 1.00 8.86 H new ATOM 491 N GLY A 34 7.185 4.386 -2.194 1.00 7.92 N ATOM 492 CA GLY A 34 7.249 5.816 -2.394 1.00 8.28 C ATOM 493 C GLY A 34 8.644 6.274 -2.743 1.00 8.23 C ATOM 494 O GLY A 34 9.569 5.466 -2.742 1.00 8.16 O ATOM 0 H GLY A 34 7.730 4.042 -1.403 1.00 7.92 H new ATOM 0 HA2 GLY A 34 6.563 6.102 -3.191 1.00 8.28 H new ATOM 0 HA3 GLY A 34 6.916 6.324 -1.489 1.00 8.28 H new ATOM 498 N SER A 35 8.789 7.576 -3.020 1.00 8.52 N ATOM 499 CA SER A 35 10.060 8.205 -3.418 1.00 8.67 C ATOM 500 C SER A 35 9.756 9.659 -3.771 1.00 8.96 C ATOM 501 O SER A 35 10.501 10.582 -3.430 1.00 9.53 O ATOM 502 CB SER A 35 10.665 7.473 -4.652 1.00 8.87 C ATOM 503 OG SER A 35 11.944 7.974 -5.012 1.00 8.86 O ATOM 0 H SER A 35 8.013 8.236 -2.974 1.00 8.52 H new ATOM 0 HA SER A 35 10.785 8.146 -2.607 1.00 8.67 H new ATOM 0 HB2 SER A 35 10.744 6.408 -4.435 1.00 8.87 H new ATOM 0 HB3 SER A 35 9.987 7.576 -5.499 1.00 8.87 H new ATOM 0 HG SER A 35 12.281 7.482 -5.790 1.00 8.86 H new ATOM 509 N GLN A 36 8.625 9.838 -4.442 1.00 8.75 N ATOM 510 CA GLN A 36 8.127 11.148 -4.830 1.00 9.17 C ATOM 511 C GLN A 36 7.474 11.818 -3.626 1.00 8.70 C ATOM 512 O GLN A 36 7.542 11.296 -2.515 1.00 8.58 O ATOM 513 CB GLN A 36 7.094 10.997 -5.938 1.00 10.09 C ATOM 514 CG GLN A 36 7.621 10.401 -7.242 1.00 10.66 C ATOM 515 CD GLN A 36 6.521 10.275 -8.277 1.00 11.45 C ATOM 516 OE1 GLN A 36 5.356 10.093 -7.930 1.00 11.91 O ATOM 517 NE2 GLN A 36 6.883 10.354 -9.544 1.00 11.81 N ATOM 0 H GLN A 36 8.023 9.068 -4.734 1.00 8.75 H new ATOM 0 HA GLN A 36 8.957 11.757 -5.187 1.00 9.17 H new ATOM 0 HB2 GLN A 36 6.282 10.369 -5.572 1.00 10.09 H new ATOM 0 HB3 GLN A 36 6.668 11.977 -6.151 1.00 10.09 H new ATOM 0 HG2 GLN A 36 8.421 11.029 -7.634 1.00 10.66 H new ATOM 0 HG3 GLN A 36 8.053 9.420 -7.047 1.00 10.66 H new ATOM 0 HE21 GLN A 36 7.862 10.506 -9.786 1.00 11.81 H new ATOM 0 HE22 GLN A 36 6.184 10.263 -10.281 1.00 11.81 H new ATOM 526 N LEU A 37 6.843 12.968 -3.861 1.00 8.63 N ATOM 527 CA LEU A 37 6.116 13.697 -2.816 1.00 8.33 C ATOM 528 C LEU A 37 5.065 12.796 -2.170 1.00 7.59 C ATOM 529 O LEU A 37 4.943 12.753 -0.951 1.00 7.53 O ATOM 530 CB LEU A 37 5.446 14.945 -3.416 1.00 8.94 C ATOM 531 CG LEU A 37 4.673 15.841 -2.443 1.00 9.62 C ATOM 532 CD1 LEU A 37 5.594 16.349 -1.348 1.00 10.08 C ATOM 533 CD2 LEU A 37 4.035 17.002 -3.197 1.00 9.94 C ATOM 0 H LEU A 37 6.820 13.421 -4.775 1.00 8.63 H new ATOM 0 HA LEU A 37 6.825 14.008 -2.049 1.00 8.33 H new ATOM 0 HB2 LEU A 37 6.217 15.548 -3.896 1.00 8.94 H new ATOM 0 HB3 LEU A 37 4.761 14.621 -4.199 1.00 8.94 H new ATOM 0 HG LEU A 37 3.881 15.256 -1.976 1.00 9.62 H new ATOM 0 HD11 LEU A 37 5.031 16.984 -0.664 1.00 10.08 H new ATOM 0 HD12 LEU A 37 6.008 15.503 -0.799 1.00 10.08 H new ATOM 0 HD13 LEU A 37 6.405 16.925 -1.793 1.00 10.08 H new ATOM 0 HD21 LEU A 37 3.488 17.633 -2.497 1.00 9.94 H new ATOM 0 HD22 LEU A 37 4.812 17.590 -3.685 1.00 9.94 H new ATOM 0 HD23 LEU A 37 3.348 16.614 -3.949 1.00 9.94 H new ATOM 545 N GLU A 38 4.323 12.088 -3.030 1.00 7.28 N ATOM 546 CA GLU A 38 3.323 11.088 -2.636 1.00 6.85 C ATOM 547 C GLU A 38 2.085 11.683 -1.902 1.00 6.29 C ATOM 548 O GLU A 38 2.178 12.299 -0.837 1.00 6.53 O ATOM 549 CB GLU A 38 3.989 9.901 -1.890 1.00 7.02 C ATOM 550 CG GLU A 38 3.043 8.779 -1.497 1.00 7.23 C ATOM 551 CD GLU A 38 3.786 7.542 -1.023 1.00 7.58 C ATOM 552 OE1 GLU A 38 4.082 7.460 0.201 1.00 7.82 O ATOM 553 OE2 GLU A 38 4.075 6.653 -1.831 1.00 7.86 O ATOM 0 H GLU A 38 4.403 12.197 -4.041 1.00 7.28 H new ATOM 0 HA GLU A 38 2.899 10.686 -3.556 1.00 6.85 H new ATOM 0 HB2 GLU A 38 4.775 9.489 -2.523 1.00 7.02 H new ATOM 0 HB3 GLU A 38 4.471 10.282 -0.990 1.00 7.02 H new ATOM 0 HG2 GLU A 38 2.378 9.127 -0.706 1.00 7.23 H new ATOM 0 HG3 GLU A 38 2.416 8.520 -2.350 1.00 7.23 H new ATOM 560 N ALA A 39 0.927 11.500 -2.510 1.00 5.86 N ATOM 561 CA ALA A 39 -0.305 12.023 -1.976 1.00 5.57 C ATOM 562 C ALA A 39 -0.930 11.044 -0.999 1.00 5.31 C ATOM 563 O ALA A 39 -0.756 9.831 -1.137 1.00 5.56 O ATOM 564 CB ALA A 39 -1.269 12.327 -3.102 1.00 5.92 C ATOM 0 H ALA A 39 0.820 10.986 -3.384 1.00 5.86 H new ATOM 0 HA ALA A 39 -0.084 12.945 -1.438 1.00 5.57 H new ATOM 0 HB1 ALA A 39 -2.197 12.722 -2.689 1.00 5.92 H new ATOM 0 HB2 ALA A 39 -0.826 13.065 -3.771 1.00 5.92 H new ATOM 0 HB3 ALA A 39 -1.479 11.413 -3.658 1.00 5.92 H new ATOM 570 N ASN A 40 -1.654 11.577 -0.016 1.00 5.21 N ATOM 571 CA ASN A 40 -2.332 10.765 1.010 1.00 5.30 C ATOM 572 C ASN A 40 -3.227 9.708 0.359 1.00 4.90 C ATOM 573 O ASN A 40 -3.191 8.535 0.719 1.00 4.87 O ATOM 574 CB ASN A 40 -3.184 11.674 1.921 1.00 5.95 C ATOM 575 CG ASN A 40 -3.813 10.929 3.101 1.00 6.36 C ATOM 576 OD1 ASN A 40 -3.213 10.820 4.171 1.00 6.54 O ATOM 577 ND2 ASN A 40 -5.024 10.434 2.924 1.00 6.88 N ATOM 0 H ASN A 40 -1.791 12.581 0.097 1.00 5.21 H new ATOM 0 HA ASN A 40 -1.572 10.260 1.607 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -2.560 12.483 2.302 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -3.974 12.134 1.327 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -5.491 9.943 3.687 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -5.493 10.542 2.025 1.00 6.88 H new ATOM 584 N LYS A 41 -3.997 10.121 -0.636 1.00 4.91 N ATOM 585 CA LYS A 41 -4.903 9.206 -1.318 1.00 4.79 C ATOM 586 C LYS A 41 -4.294 8.639 -2.605 1.00 5.11 C ATOM 587 O LYS A 41 -5.004 8.364 -3.567 1.00 5.52 O ATOM 588 CB LYS A 41 -6.289 9.843 -1.569 1.00 5.30 C ATOM 589 CG LYS A 41 -7.084 10.124 -0.288 1.00 6.03 C ATOM 590 CD LYS A 41 -8.549 10.455 -0.582 1.00 6.55 C ATOM 591 CE LYS A 41 -9.323 10.705 0.709 1.00 7.33 C ATOM 592 NZ LYS A 41 -10.767 10.955 0.472 1.00 7.95 N ATOM 0 H LYS A 41 -4.014 11.078 -0.989 1.00 4.91 H new ATOM 0 HA LYS A 41 -5.057 8.362 -0.645 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -6.155 10.777 -2.114 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -6.872 9.181 -2.209 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -7.034 9.255 0.368 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -6.625 10.955 0.248 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -8.605 11.337 -1.220 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -9.008 9.633 -1.132 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -9.211 9.844 1.368 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -8.891 11.561 1.227 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -11.238 11.152 1.378 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -10.878 11.772 -0.161 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -11.197 10.116 0.033 1.00 7.95 H new ATOM 606 N LYS A 42 -2.968 8.430 -2.599 1.00 5.29 N ATOM 607 CA LYS A 42 -2.291 7.757 -3.712 1.00 6.01 C ATOM 608 C LYS A 42 -2.872 6.356 -3.870 1.00 6.11 C ATOM 609 O LYS A 42 -3.081 5.882 -4.985 1.00 6.74 O ATOM 610 CB LYS A 42 -0.782 7.670 -3.423 1.00 6.24 C ATOM 611 CG LYS A 42 0.021 6.799 -4.383 1.00 6.53 C ATOM 612 CD LYS A 42 1.489 6.777 -3.977 1.00 7.13 C ATOM 613 CE LYS A 42 2.305 5.723 -4.726 1.00 7.68 C ATOM 614 NZ LYS A 42 3.729 5.759 -4.301 1.00 8.17 N ATOM 0 H LYS A 42 -2.349 8.716 -1.840 1.00 5.29 H new ATOM 0 HA LYS A 42 -2.442 8.321 -4.633 1.00 6.01 H new ATOM 0 HB2 LYS A 42 -0.368 8.678 -3.441 1.00 6.24 H new ATOM 0 HB3 LYS A 42 -0.645 7.287 -2.412 1.00 6.24 H new ATOM 0 HG2 LYS A 42 -0.378 5.785 -4.384 1.00 6.53 H new ATOM 0 HG3 LYS A 42 -0.076 7.181 -5.399 1.00 6.53 H new ATOM 0 HD2 LYS A 42 1.924 7.760 -4.158 1.00 7.13 H new ATOM 0 HD3 LYS A 42 1.560 6.589 -2.906 1.00 7.13 H new ATOM 0 HE2 LYS A 42 1.889 4.733 -4.538 1.00 7.68 H new ATOM 0 HE3 LYS A 42 2.236 5.899 -5.800 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 4.126 4.799 -4.337 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 4.266 6.380 -4.939 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 3.792 6.123 -3.329 1.00 8.17 H new ATOM 628 N ALA A 43 -3.144 5.723 -2.722 1.00 5.71 N ATOM 629 CA ALA A 43 -3.738 4.379 -2.650 1.00 5.93 C ATOM 630 C ALA A 43 -3.843 3.916 -1.234 1.00 5.58 C ATOM 631 O ALA A 43 -4.583 2.998 -0.958 1.00 5.78 O ATOM 632 CB ALA A 43 -2.968 3.338 -3.412 1.00 5.86 C ATOM 0 H ALA A 43 -2.957 6.132 -1.807 1.00 5.71 H new ATOM 0 HA ALA A 43 -4.722 4.483 -3.106 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -3.465 2.373 -3.313 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -2.923 3.617 -4.465 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -1.957 3.268 -3.012 1.00 5.86 H new ATOM 638 N MET A 44 -3.063 4.511 -0.328 1.00 5.27 N ATOM 639 CA MET A 44 -3.132 4.122 1.078 1.00 5.14 C ATOM 640 C MET A 44 -4.437 4.587 1.653 1.00 4.41 C ATOM 641 O MET A 44 -4.580 5.724 2.086 1.00 4.57 O ATOM 642 CB MET A 44 -1.928 4.629 1.893 1.00 5.83 C ATOM 643 CG MET A 44 -0.609 4.019 1.445 1.00 6.40 C ATOM 644 SD MET A 44 0.819 4.571 2.409 1.00 6.97 S ATOM 645 CE MET A 44 0.843 6.331 2.049 1.00 7.62 C ATOM 0 H MET A 44 -2.390 5.248 -0.538 1.00 5.27 H new ATOM 0 HA MET A 44 -3.083 3.035 1.138 1.00 5.14 H new ATOM 0 HB2 MET A 44 -1.868 5.714 1.806 1.00 5.83 H new ATOM 0 HB3 MET A 44 -2.088 4.402 2.947 1.00 5.83 H new ATOM 0 HG2 MET A 44 -0.681 2.933 1.510 1.00 6.40 H new ATOM 0 HG3 MET A 44 -0.444 4.265 0.396 1.00 6.40 H new ATOM 0 HE1 MET A 44 1.797 6.754 2.365 1.00 7.62 H new ATOM 0 HE2 MET A 44 0.714 6.485 0.978 1.00 7.62 H new ATOM 0 HE3 MET A 44 0.032 6.823 2.586 1.00 7.62 H new ATOM 655 N SER A 45 -5.412 3.734 1.540 1.00 3.91 N ATOM 656 CA SER A 45 -6.730 4.055 1.934 1.00 3.31 C ATOM 657 C SER A 45 -7.506 2.864 2.565 1.00 3.15 C ATOM 658 O SER A 45 -7.710 2.830 3.776 1.00 3.30 O ATOM 659 CB SER A 45 -7.428 4.612 0.717 1.00 3.27 C ATOM 660 OG SER A 45 -6.860 5.847 0.297 1.00 3.82 O ATOM 0 H SER A 45 -5.302 2.791 1.167 1.00 3.91 H new ATOM 0 HA SER A 45 -6.697 4.792 2.736 1.00 3.31 H new ATOM 0 HB2 SER A 45 -7.369 3.890 -0.097 1.00 3.27 H new ATOM 0 HB3 SER A 45 -8.485 4.756 0.939 1.00 3.27 H new ATOM 0 HG SER A 45 -7.572 6.509 0.172 1.00 3.82 H new ATOM 666 N ILE A 46 -7.916 1.897 1.760 1.00 3.06 N ATOM 667 CA ILE A 46 -8.698 0.756 2.266 1.00 2.90 C ATOM 668 C ILE A 46 -7.875 -0.504 2.184 1.00 3.39 C ATOM 669 O ILE A 46 -7.249 -0.740 1.187 1.00 3.76 O ATOM 670 CB ILE A 46 -9.991 0.537 1.448 1.00 2.48 C ATOM 671 CG1 ILE A 46 -10.827 1.803 1.405 1.00 2.40 C ATOM 672 CG2 ILE A 46 -10.794 -0.611 2.031 1.00 2.38 C ATOM 673 CD1 ILE A 46 -12.132 1.661 0.656 1.00 2.53 C ATOM 0 H ILE A 46 -7.727 1.869 0.758 1.00 3.06 H new ATOM 0 HA ILE A 46 -8.966 0.982 3.298 1.00 2.90 H new ATOM 0 HB ILE A 46 -9.710 0.284 0.426 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -11.040 2.119 2.426 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -10.240 2.596 0.942 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -11.702 -0.754 1.445 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -10.197 -1.523 2.004 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -11.060 -0.382 3.063 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -12.667 2.611 0.674 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -11.930 1.377 -0.377 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -12.742 0.892 1.130 1.00 2.53 H new ATOM 685 N GLN A 47 -7.905 -1.323 3.211 1.00 3.62 N ATOM 686 CA GLN A 47 -7.089 -2.511 3.230 1.00 4.26 C ATOM 687 C GLN A 47 -7.935 -3.725 2.786 1.00 4.05 C ATOM 688 O GLN A 47 -8.985 -4.003 3.343 1.00 3.59 O ATOM 689 CB GLN A 47 -6.492 -2.688 4.625 1.00 4.89 C ATOM 690 CG GLN A 47 -5.136 -3.378 4.633 1.00 5.73 C ATOM 691 CD GLN A 47 -4.512 -3.432 6.020 1.00 6.34 C ATOM 692 OE1 GLN A 47 -5.195 -3.491 7.031 1.00 6.66 O ATOM 693 NE2 GLN A 47 -3.206 -3.386 6.066 1.00 6.79 N ATOM 0 H GLN A 47 -8.484 -1.187 4.040 1.00 3.62 H new ATOM 0 HA GLN A 47 -6.260 -2.422 2.528 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -6.393 -1.709 5.094 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -7.186 -3.265 5.236 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -5.247 -4.392 4.249 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -4.462 -2.853 3.956 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -2.667 -3.337 5.202 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -2.727 -3.399 6.966 1.00 6.79 H new ATOM 702 N CYS A 48 -7.443 -4.397 1.756 1.00 4.51 N ATOM 703 CA CYS A 48 -8.106 -5.504 1.061 1.00 4.51 C ATOM 704 C CYS A 48 -8.409 -6.712 1.956 1.00 4.78 C ATOM 705 O CYS A 48 -7.590 -7.117 2.782 1.00 5.43 O ATOM 706 CB CYS A 48 -7.233 -5.943 -0.096 1.00 5.18 C ATOM 707 SG CYS A 48 -8.002 -7.114 -1.217 1.00 5.33 S ATOM 0 H CYS A 48 -6.529 -4.180 1.359 1.00 4.51 H new ATOM 0 HA CYS A 48 -9.071 -5.130 0.720 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -6.935 -5.061 -0.663 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -6.322 -6.388 0.303 1.00 5.18 H new ATOM 0 HG CYS A 48 -7.258 -7.256 -2.274 1.00 5.33 H new ATOM 713 N LYS A 49 -9.571 -7.308 1.710 1.00 4.37 N ATOM 714 CA LYS A 49 -10.113 -8.451 2.454 1.00 4.60 C ATOM 715 C LYS A 49 -9.320 -9.706 2.106 1.00 5.45 C ATOM 716 O LYS A 49 -9.154 -10.603 2.932 1.00 5.91 O ATOM 717 CB LYS A 49 -11.589 -8.630 1.991 1.00 4.03 C ATOM 718 CG LYS A 49 -12.556 -9.478 2.857 1.00 4.13 C ATOM 719 CD LYS A 49 -12.204 -10.967 2.987 1.00 4.80 C ATOM 720 CE LYS A 49 -12.299 -11.700 1.653 1.00 5.08 C ATOM 721 NZ LYS A 49 -11.965 -13.143 1.782 1.00 5.64 N ATOM 0 H LYS A 49 -10.189 -7.000 0.959 1.00 4.37 H new ATOM 0 HA LYS A 49 -10.052 -8.285 3.530 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -12.024 -7.636 1.891 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -11.569 -9.071 0.994 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -12.594 -9.044 3.856 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -13.558 -9.396 2.436 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -11.193 -11.066 3.383 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -12.876 -11.436 3.706 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -13.308 -11.596 1.254 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -11.623 -11.235 0.935 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -12.042 -13.602 0.852 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -10.993 -13.244 2.138 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -12.626 -13.594 2.447 1.00 5.64 H new ATOM 735 N VAL A 50 -8.832 -9.761 0.865 1.00 5.76 N ATOM 736 CA VAL A 50 -8.148 -10.971 0.357 1.00 6.62 C ATOM 737 C VAL A 50 -6.894 -11.296 1.176 1.00 7.31 C ATOM 738 O VAL A 50 -6.489 -12.443 1.279 1.00 7.94 O ATOM 739 CB VAL A 50 -7.775 -10.881 -1.166 1.00 6.99 C ATOM 740 CG1 VAL A 50 -8.963 -10.451 -1.995 1.00 6.73 C ATOM 741 CG2 VAL A 50 -6.551 -10.003 -1.429 1.00 7.56 C ATOM 0 H VAL A 50 -8.892 -8.996 0.193 1.00 5.76 H new ATOM 0 HA VAL A 50 -8.871 -11.779 0.469 1.00 6.62 H new ATOM 0 HB VAL A 50 -7.495 -11.887 -1.479 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -8.674 -10.398 -3.045 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -9.770 -11.174 -1.877 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -9.303 -9.470 -1.662 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -6.343 -9.980 -2.499 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -6.747 -8.991 -1.075 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -5.690 -10.412 -0.901 1.00 7.56 H new ATOM 751 N CYS A 51 -6.315 -10.275 1.774 1.00 7.22 N ATOM 752 CA CYS A 51 -5.145 -10.447 2.571 1.00 7.91 C ATOM 753 C CYS A 51 -4.955 -9.250 3.474 1.00 7.66 C ATOM 754 O CYS A 51 -5.284 -9.310 4.656 1.00 7.62 O ATOM 755 CB CYS A 51 -3.897 -10.669 1.688 1.00 8.65 C ATOM 756 SG CYS A 51 -2.359 -10.935 2.609 1.00 9.28 S ATOM 0 H CYS A 51 -6.649 -9.313 1.714 1.00 7.22 H new ATOM 0 HA CYS A 51 -5.276 -11.336 3.187 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -4.073 -11.530 1.043 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -3.770 -9.804 1.037 1.00 8.65 H new ATOM 0 HG CYS A 51 -1.378 -11.112 1.774 1.00 9.28 H new ATOM 762 N MET A 52 -4.468 -8.141 2.898 1.00 7.53 N ATOM 763 CA MET A 52 -4.151 -6.950 3.699 1.00 7.36 C ATOM 764 C MET A 52 -3.578 -5.859 2.766 1.00 7.19 C ATOM 765 O MET A 52 -2.735 -5.073 3.141 1.00 7.51 O ATOM 766 CB MET A 52 -3.074 -7.354 4.705 1.00 8.14 C ATOM 767 CG MET A 52 -2.931 -6.418 5.864 1.00 8.25 C ATOM 768 SD MET A 52 -1.682 -6.937 7.064 1.00 9.18 S ATOM 769 CE MET A 52 -0.212 -6.978 6.048 1.00 9.44 C ATOM 0 H MET A 52 -4.288 -8.044 1.899 1.00 7.53 H new ATOM 0 HA MET A 52 -5.038 -6.569 4.205 1.00 7.36 H new ATOM 0 HB2 MET A 52 -3.303 -8.350 5.084 1.00 8.14 H new ATOM 0 HB3 MET A 52 -2.117 -7.422 4.187 1.00 8.14 H new ATOM 0 HG2 MET A 52 -2.674 -5.427 5.490 1.00 8.25 H new ATOM 0 HG3 MET A 52 -3.893 -6.329 6.369 1.00 8.25 H new ATOM 0 HE1 MET A 52 0.672 -6.964 6.686 1.00 9.44 H new ATOM 0 HE2 MET A 52 -0.211 -7.887 5.446 1.00 9.44 H new ATOM 0 HE3 MET A 52 -0.199 -6.108 5.391 1.00 9.44 H new ATOM 779 N GLN A 53 -4.100 -5.801 1.560 1.00 6.77 N ATOM 780 CA GLN A 53 -3.541 -4.918 0.500 1.00 6.78 C ATOM 781 C GLN A 53 -4.302 -3.611 0.531 1.00 5.99 C ATOM 782 O GLN A 53 -4.981 -3.375 1.481 1.00 5.51 O ATOM 783 CB GLN A 53 -3.709 -5.609 -0.854 1.00 7.00 C ATOM 784 CG GLN A 53 -3.327 -7.079 -0.820 1.00 7.73 C ATOM 785 CD GLN A 53 -1.906 -7.343 -0.325 1.00 8.54 C ATOM 786 OE1 GLN A 53 -0.964 -7.367 -1.097 1.00 9.11 O ATOM 787 NE2 GLN A 53 -1.766 -7.555 0.968 1.00 8.65 N ATOM 0 H GLN A 53 -4.911 -6.346 1.267 1.00 6.77 H new ATOM 0 HA GLN A 53 -2.481 -4.724 0.664 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -4.746 -5.516 -1.177 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -3.096 -5.097 -1.596 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -4.029 -7.611 -0.178 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -3.434 -7.494 -1.822 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -2.581 -7.526 1.581 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -0.843 -7.748 1.356 1.00 8.65 H new ATOM 796 N THR A 54 -4.224 -2.772 -0.476 1.00 5.92 N ATOM 797 CA THR A 54 -4.987 -1.537 -0.363 1.00 5.23 C ATOM 798 C THR A 54 -5.717 -1.153 -1.666 1.00 5.04 C ATOM 799 O THR A 54 -5.421 -1.676 -2.750 1.00 5.63 O ATOM 800 CB THR A 54 -4.124 -0.343 0.201 1.00 5.45 C ATOM 801 OG1 THR A 54 -4.949 0.819 0.465 1.00 4.93 O ATOM 802 CG2 THR A 54 -3.048 0.064 -0.776 1.00 5.93 C ATOM 0 H THR A 54 -3.682 -2.899 -1.330 1.00 5.92 H new ATOM 0 HA THR A 54 -5.765 -1.742 0.372 1.00 5.23 H new ATOM 0 HB THR A 54 -3.670 -0.697 1.127 1.00 5.45 H new ATOM 0 HG1 THR A 54 -4.997 1.376 -0.340 1.00 4.93 H new ATOM 0 HG21 THR A 54 -2.471 0.889 -0.358 1.00 5.93 H new ATOM 0 HG22 THR A 54 -2.388 -0.783 -0.964 1.00 5.93 H new ATOM 0 HG23 THR A 54 -3.508 0.380 -1.712 1.00 5.93 H new ATOM 810 N PHE A 55 -6.701 -0.259 -1.507 1.00 4.34 N ATOM 811 CA PHE A 55 -7.522 0.315 -2.550 1.00 4.27 C ATOM 812 C PHE A 55 -7.795 1.755 -2.157 1.00 3.93 C ATOM 813 O PHE A 55 -7.402 2.171 -1.068 1.00 3.54 O ATOM 814 CB PHE A 55 -8.870 -0.412 -2.675 1.00 3.91 C ATOM 815 CG PHE A 55 -8.795 -1.833 -3.118 1.00 4.29 C ATOM 816 CD1 PHE A 55 -8.663 -2.144 -4.464 1.00 4.83 C ATOM 817 CD2 PHE A 55 -8.866 -2.871 -2.199 1.00 4.24 C ATOM 818 CE1 PHE A 55 -8.610 -3.458 -4.884 1.00 5.27 C ATOM 819 CE2 PHE A 55 -8.825 -4.179 -2.621 1.00 4.63 C ATOM 820 CZ PHE A 55 -8.686 -4.474 -3.962 1.00 5.13 C ATOM 0 H PHE A 55 -6.951 0.097 -0.584 1.00 4.34 H new ATOM 0 HA PHE A 55 -7.002 0.231 -3.504 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -9.373 -0.377 -1.708 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -9.495 0.137 -3.379 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -8.601 -1.348 -5.192 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -8.954 -2.650 -1.146 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -8.509 -3.687 -5.935 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -8.902 -4.979 -1.900 1.00 4.63 H new ATOM 0 HZ PHE A 55 -8.637 -5.503 -4.287 1.00 5.13 H new ATOM 830 N ILE A 56 -8.496 2.482 -2.995 1.00 4.24 N ATOM 831 CA ILE A 56 -8.761 3.894 -2.756 1.00 4.10 C ATOM 832 C ILE A 56 -10.009 4.105 -1.903 1.00 3.68 C ATOM 833 O ILE A 56 -11.043 3.483 -2.131 1.00 3.75 O ATOM 834 CB ILE A 56 -8.907 4.676 -4.094 1.00 4.78 C ATOM 835 CG1 ILE A 56 -9.171 6.183 -3.879 1.00 4.73 C ATOM 836 CG2 ILE A 56 -9.941 4.051 -5.027 1.00 5.23 C ATOM 837 CD1 ILE A 56 -8.032 6.927 -3.210 1.00 4.53 C ATOM 0 H ILE A 56 -8.900 2.120 -3.859 1.00 4.24 H new ATOM 0 HA ILE A 56 -7.902 4.281 -2.209 1.00 4.10 H new ATOM 0 HB ILE A 56 -7.940 4.594 -4.591 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -9.374 6.646 -4.845 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -10.070 6.300 -3.274 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -10.003 4.635 -5.945 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -9.645 3.030 -5.266 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -10.914 4.041 -4.537 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -8.300 7.978 -3.097 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -7.842 6.494 -2.228 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -7.134 6.845 -3.823 1.00 4.53 H new ATOM 849 N CYS A 57 -9.898 4.980 -0.925 1.00 3.44 N ATOM 850 CA CYS A 57 -11.013 5.317 -0.125 1.00 3.38 C ATOM 851 C CYS A 57 -11.395 6.736 -0.461 1.00 3.93 C ATOM 852 O CYS A 57 -10.882 7.699 0.121 1.00 4.21 O ATOM 853 CB CYS A 57 -10.712 5.179 1.383 1.00 3.28 C ATOM 854 SG CYS A 57 -12.165 5.148 2.448 1.00 4.03 S ATOM 0 H CYS A 57 -9.034 5.463 -0.679 1.00 3.44 H new ATOM 0 HA CYS A 57 -11.832 4.629 -0.335 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -10.143 4.263 1.543 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -10.074 6.008 1.688 1.00 3.28 H new ATOM 0 HG CYS A 57 -12.476 6.362 2.794 1.00 4.03 H new ATOM 860 N THR A 58 -12.185 6.870 -1.499 1.00 4.31 N ATOM 861 CA THR A 58 -12.734 8.157 -1.892 1.00 5.03 C ATOM 862 C THR A 58 -13.502 8.831 -0.728 1.00 5.13 C ATOM 863 O THR A 58 -13.432 10.050 -0.547 1.00 5.79 O ATOM 864 CB THR A 58 -13.655 8.010 -3.112 1.00 5.61 C ATOM 865 OG1 THR A 58 -14.616 6.971 -2.868 1.00 6.01 O ATOM 866 CG2 THR A 58 -12.858 7.676 -4.372 1.00 5.89 C ATOM 0 H THR A 58 -12.469 6.095 -2.098 1.00 4.31 H new ATOM 0 HA THR A 58 -11.893 8.797 -2.159 1.00 5.03 H new ATOM 0 HB THR A 58 -14.163 8.961 -3.269 1.00 5.61 H new ATOM 0 HG1 THR A 58 -15.204 6.880 -3.647 1.00 6.01 H new ATOM 0 HG21 THR A 58 -13.539 7.578 -5.218 1.00 5.89 H new ATOM 0 HG22 THR A 58 -12.143 8.474 -4.572 1.00 5.89 H new ATOM 0 HG23 THR A 58 -12.324 6.737 -4.226 1.00 5.89 H new ATOM 874 N THR A 59 -14.164 8.017 0.081 1.00 4.66 N ATOM 875 CA THR A 59 -14.962 8.504 1.191 1.00 4.98 C ATOM 876 C THR A 59 -14.241 8.142 2.521 1.00 4.60 C ATOM 877 O THR A 59 -13.027 8.008 2.540 1.00 4.34 O ATOM 878 CB THR A 59 -16.433 7.916 1.122 1.00 5.47 C ATOM 879 OG1 THR A 59 -17.269 8.518 2.124 1.00 6.19 O ATOM 880 CG2 THR A 59 -16.481 6.404 1.286 1.00 5.90 C ATOM 0 H THR A 59 -14.162 7.002 -0.015 1.00 4.66 H new ATOM 0 HA THR A 59 -15.061 9.588 1.137 1.00 4.98 H new ATOM 0 HB THR A 59 -16.802 8.156 0.125 1.00 5.47 H new ATOM 0 HG1 THR A 59 -18.210 8.402 1.878 1.00 6.19 H new ATOM 0 HG21 THR A 59 -17.515 6.065 1.229 1.00 5.90 H new ATOM 0 HG22 THR A 59 -15.901 5.933 0.492 1.00 5.90 H new ATOM 0 HG23 THR A 59 -16.062 6.130 2.254 1.00 5.90 H new ATOM 888 N SER A 60 -14.982 8.037 3.611 1.00 4.93 N ATOM 889 CA SER A 60 -14.426 7.651 4.910 1.00 5.08 C ATOM 890 C SER A 60 -14.711 6.147 5.175 1.00 4.91 C ATOM 891 O SER A 60 -14.660 5.686 6.320 1.00 5.44 O ATOM 892 CB SER A 60 -15.071 8.540 6.011 1.00 5.82 C ATOM 893 OG SER A 60 -14.578 8.231 7.306 1.00 6.47 O ATOM 0 H SER A 60 -15.986 8.215 3.627 1.00 4.93 H new ATOM 0 HA SER A 60 -13.346 7.798 4.919 1.00 5.08 H new ATOM 0 HB2 SER A 60 -14.875 9.589 5.790 1.00 5.82 H new ATOM 0 HB3 SER A 60 -16.153 8.408 5.995 1.00 5.82 H new ATOM 0 HG SER A 60 -14.449 7.263 7.385 1.00 6.47 H new ATOM 899 N GLU A 61 -14.958 5.398 4.086 1.00 4.39 N ATOM 900 CA GLU A 61 -15.360 3.950 4.073 1.00 4.24 C ATOM 901 C GLU A 61 -16.739 3.730 4.721 1.00 4.81 C ATOM 902 O GLU A 61 -17.604 3.097 4.139 1.00 4.86 O ATOM 903 CB GLU A 61 -14.353 3.027 4.780 1.00 4.06 C ATOM 904 CG GLU A 61 -14.712 1.553 4.576 1.00 4.21 C ATOM 905 CD GLU A 61 -13.988 0.601 5.484 1.00 4.27 C ATOM 906 OE1 GLU A 61 -12.763 0.580 5.478 1.00 4.60 O ATOM 907 OE2 GLU A 61 -14.692 -0.158 6.224 1.00 4.34 O ATOM 0 H GLU A 61 -14.885 5.785 3.145 1.00 4.39 H new ATOM 0 HA GLU A 61 -15.391 3.688 3.015 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -13.351 3.216 4.395 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -14.334 3.255 5.846 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -15.785 1.430 4.724 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -14.500 1.281 3.542 1.00 4.21 H new ATOM 914 N VAL A 62 -16.910 4.266 5.926 1.00 5.34 N ATOM 915 CA VAL A 62 -18.102 4.129 6.746 1.00 6.05 C ATOM 916 C VAL A 62 -19.399 4.479 5.986 1.00 6.40 C ATOM 917 O VAL A 62 -20.451 3.908 6.251 1.00 6.81 O ATOM 918 CB VAL A 62 -17.976 5.010 8.024 1.00 6.66 C ATOM 919 CG1 VAL A 62 -19.184 4.847 8.910 1.00 7.23 C ATOM 920 CG2 VAL A 62 -16.715 4.652 8.791 1.00 7.09 C ATOM 0 H VAL A 62 -16.189 4.831 6.374 1.00 5.34 H new ATOM 0 HA VAL A 62 -18.174 3.078 7.026 1.00 6.05 H new ATOM 0 HB VAL A 62 -17.916 6.053 7.712 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -19.072 5.472 9.796 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -20.079 5.147 8.364 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -19.276 3.804 9.211 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -16.641 5.276 9.681 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -16.754 3.603 9.085 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -15.844 4.819 8.157 1.00 7.09 H new ATOM 930 N LYS A 63 -19.301 5.367 5.021 1.00 6.35 N ATOM 931 CA LYS A 63 -20.474 5.761 4.270 1.00 6.86 C ATOM 932 C LYS A 63 -20.883 4.599 3.333 1.00 6.61 C ATOM 933 O LYS A 63 -22.062 4.301 3.138 1.00 7.11 O ATOM 934 CB LYS A 63 -20.194 7.065 3.499 1.00 7.01 C ATOM 935 CG LYS A 63 -21.430 7.899 3.123 1.00 7.83 C ATOM 936 CD LYS A 63 -22.401 7.170 2.216 1.00 8.08 C ATOM 937 CE LYS A 63 -23.699 7.945 2.013 1.00 8.93 C ATOM 938 NZ LYS A 63 -24.469 8.153 3.290 1.00 9.36 N ATOM 0 H LYS A 63 -18.434 5.825 4.740 1.00 6.35 H new ATOM 0 HA LYS A 63 -21.308 5.963 4.942 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -19.530 7.685 4.101 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -19.655 6.816 2.585 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -21.949 8.195 4.035 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -21.104 8.815 2.631 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -21.930 6.996 1.249 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -22.627 6.192 2.641 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -23.471 8.915 1.571 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -24.327 7.410 1.300 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -25.418 8.515 3.068 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -24.553 7.248 3.796 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -23.968 8.840 3.889 1.00 9.36 H new ATOM 952 N CYS A 64 -19.918 3.948 2.791 1.00 5.90 N ATOM 953 CA CYS A 64 -20.181 2.815 1.967 1.00 5.63 C ATOM 954 C CYS A 64 -20.554 1.623 2.859 1.00 5.60 C ATOM 955 O CYS A 64 -21.328 0.776 2.473 1.00 5.71 O ATOM 956 CB CYS A 64 -18.971 2.515 1.095 1.00 4.97 C ATOM 957 SG CYS A 64 -18.506 3.869 0.008 1.00 4.95 S ATOM 0 H CYS A 64 -18.931 4.179 2.902 1.00 5.90 H new ATOM 0 HA CYS A 64 -21.019 3.019 1.300 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -18.125 2.269 1.736 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -19.180 1.632 0.491 1.00 4.97 H new ATOM 0 HG CYS A 64 -17.467 3.525 -0.693 1.00 4.95 H new ATOM 963 N ARG A 65 -20.009 1.623 4.079 1.00 5.62 N ATOM 964 CA ARG A 65 -20.269 0.618 5.094 1.00 5.84 C ATOM 965 C ARG A 65 -21.751 0.513 5.400 1.00 6.60 C ATOM 966 O ARG A 65 -22.326 -0.571 5.284 1.00 6.69 O ATOM 967 CB ARG A 65 -19.462 0.965 6.349 1.00 5.99 C ATOM 968 CG ARG A 65 -19.810 0.206 7.610 1.00 5.98 C ATOM 969 CD ARG A 65 -19.684 -1.297 7.444 1.00 6.32 C ATOM 970 NE ARG A 65 -19.810 -2.005 8.730 1.00 6.70 N ATOM 971 CZ ARG A 65 -20.317 -3.240 8.906 1.00 7.13 C ATOM 972 NH1 ARG A 65 -20.917 -3.878 7.899 1.00 7.25 N ATOM 973 NH2 ARG A 65 -20.241 -3.816 10.108 1.00 7.69 N ATOM 0 H ARG A 65 -19.358 2.345 4.389 1.00 5.62 H new ATOM 0 HA ARG A 65 -19.957 -0.359 4.724 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -18.407 0.799 6.132 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -19.583 2.030 6.548 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -19.156 0.534 8.418 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -20.830 0.450 7.906 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -20.453 -1.652 6.757 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -18.720 -1.533 6.993 1.00 6.32 H new ATOM 0 HE ARG A 65 -19.483 -1.515 9.563 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -20.995 -3.430 6.986 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -21.298 -4.813 8.043 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -19.802 -3.321 10.884 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -20.622 -4.751 10.250 1.00 7.69 H new ATOM 987 N GLU A 66 -22.356 1.640 5.762 1.00 7.20 N ATOM 988 CA GLU A 66 -23.783 1.693 6.079 1.00 8.03 C ATOM 989 C GLU A 66 -24.621 1.235 4.883 1.00 8.03 C ATOM 990 O GLU A 66 -25.624 0.538 5.030 1.00 8.42 O ATOM 991 CB GLU A 66 -24.193 3.121 6.515 1.00 8.67 C ATOM 992 CG GLU A 66 -23.772 4.201 5.515 1.00 8.45 C ATOM 993 CD GLU A 66 -24.278 5.601 5.812 1.00 9.17 C ATOM 994 OE1 GLU A 66 -23.871 6.200 6.823 1.00 9.78 O ATOM 995 OE2 GLU A 66 -25.063 6.152 4.993 1.00 9.24 O ATOM 0 H GLU A 66 -21.877 2.537 5.844 1.00 7.20 H new ATOM 0 HA GLU A 66 -23.972 1.013 6.910 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -25.275 3.158 6.646 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -23.747 3.340 7.485 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -22.683 4.228 5.474 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -24.121 3.910 4.524 1.00 8.45 H new ATOM 1002 N HIS A 67 -24.184 1.599 3.690 1.00 7.64 N ATOM 1003 CA HIS A 67 -24.921 1.241 2.503 1.00 7.74 C ATOM 1004 C HIS A 67 -24.708 -0.224 2.133 1.00 7.19 C ATOM 1005 O HIS A 67 -25.558 -0.835 1.527 1.00 7.42 O ATOM 1006 CB HIS A 67 -24.572 2.187 1.335 1.00 7.65 C ATOM 1007 CG HIS A 67 -25.322 1.909 0.059 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -26.524 2.512 -0.269 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -25.023 1.100 -0.977 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -26.915 2.075 -1.453 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -26.024 1.223 -1.897 1.00 8.28 N ATOM 0 H HIS A 67 -23.333 2.136 3.524 1.00 7.64 H new ATOM 0 HA HIS A 67 -25.983 1.361 2.717 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -24.773 3.213 1.643 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -23.503 2.118 1.135 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -24.150 0.469 -1.063 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -27.817 2.370 -1.968 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -26.071 0.730 -2.789 1.00 8.28 H new ATOM 1020 N ALA A 68 -23.587 -0.771 2.514 1.00 6.53 N ATOM 1021 CA ALA A 68 -23.244 -2.137 2.168 1.00 6.01 C ATOM 1022 C ALA A 68 -23.884 -3.119 3.091 1.00 6.43 C ATOM 1023 O ALA A 68 -24.323 -4.166 2.655 1.00 6.43 O ATOM 1024 CB ALA A 68 -21.754 -2.327 2.154 1.00 5.28 C ATOM 0 H ALA A 68 -22.882 -0.290 3.072 1.00 6.53 H new ATOM 0 HA ALA A 68 -23.630 -2.323 1.166 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -21.521 -3.359 1.892 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -21.309 -1.657 1.419 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -21.349 -2.103 3.141 1.00 5.28 H new ATOM 1030 N GLU A 69 -23.959 -2.787 4.357 1.00 6.88 N ATOM 1031 CA GLU A 69 -24.581 -3.675 5.310 1.00 7.44 C ATOM 1032 C GLU A 69 -26.096 -3.665 5.132 1.00 8.10 C ATOM 1033 O GLU A 69 -26.784 -4.624 5.469 1.00 8.50 O ATOM 1034 CB GLU A 69 -24.154 -3.342 6.744 1.00 7.93 C ATOM 1035 CG GLU A 69 -24.535 -1.963 7.238 1.00 7.64 C ATOM 1036 CD GLU A 69 -24.022 -1.730 8.633 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -24.677 -2.183 9.598 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -22.954 -1.118 8.775 1.00 7.77 O ATOM 0 H GLU A 69 -23.601 -1.916 4.749 1.00 6.88 H new ATOM 0 HA GLU A 69 -24.237 -4.691 5.118 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -24.591 -4.082 7.415 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -23.071 -3.447 6.815 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -24.129 -1.207 6.566 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -25.619 -1.854 7.222 1.00 7.64 H new ATOM 1045 N ALA A 70 -26.597 -2.583 4.559 1.00 8.29 N ATOM 1046 CA ALA A 70 -28.011 -2.436 4.292 1.00 8.98 C ATOM 1047 C ALA A 70 -28.380 -2.984 2.908 1.00 8.74 C ATOM 1048 O ALA A 70 -29.553 -3.057 2.560 1.00 9.31 O ATOM 1049 CB ALA A 70 -28.415 -0.970 4.398 1.00 9.41 C ATOM 0 H ALA A 70 -26.032 -1.785 4.268 1.00 8.29 H new ATOM 0 HA ALA A 70 -28.554 -3.015 5.039 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -29.481 -0.871 4.195 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -28.201 -0.605 5.403 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -27.852 -0.384 3.672 1.00 9.41 H new ATOM 1055 N LYS A 71 -27.377 -3.363 2.122 1.00 7.94 N ATOM 1056 CA LYS A 71 -27.603 -3.856 0.755 1.00 7.72 C ATOM 1057 C LYS A 71 -26.765 -5.095 0.449 1.00 7.00 C ATOM 1058 O LYS A 71 -27.229 -6.229 0.623 1.00 7.10 O ATOM 1059 CB LYS A 71 -27.303 -2.758 -0.293 1.00 7.70 C ATOM 1060 CG LYS A 71 -28.194 -1.514 -0.249 1.00 8.55 C ATOM 1061 CD LYS A 71 -29.648 -1.812 -0.621 1.00 9.28 C ATOM 1062 CE LYS A 71 -29.767 -2.403 -2.030 1.00 10.04 C ATOM 1063 NZ LYS A 71 -31.171 -2.651 -2.411 1.00 10.32 N ATOM 0 H LYS A 71 -26.397 -3.341 2.403 1.00 7.94 H new ATOM 0 HA LYS A 71 -28.656 -4.130 0.694 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -26.267 -2.441 -0.169 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -27.384 -3.201 -1.285 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -28.161 -1.084 0.752 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -27.796 -0.763 -0.932 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -30.072 -2.509 0.102 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -30.234 -0.895 -0.561 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -29.312 -1.721 -2.748 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -29.208 -3.337 -2.079 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -31.205 -3.050 -3.371 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -31.599 -3.322 -1.741 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -31.700 -1.756 -2.390 1.00 10.32 H new ATOM 1077 N HIS A 72 -25.509 -4.856 0.008 1.00 6.33 N ATOM 1078 CA HIS A 72 -24.554 -5.924 -0.379 1.00 5.62 C ATOM 1079 C HIS A 72 -25.221 -6.904 -1.394 1.00 5.65 C ATOM 1080 O HIS A 72 -25.156 -8.121 -1.209 1.00 5.60 O ATOM 1081 CB HIS A 72 -24.122 -6.677 0.893 1.00 5.47 C ATOM 1082 CG HIS A 72 -23.000 -7.685 0.761 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -23.214 -9.040 0.823 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -21.669 -7.528 0.648 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -22.077 -9.674 0.754 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -21.114 -8.787 0.647 1.00 7.47 N ATOM 0 H HIS A 72 -25.127 -3.916 -0.090 1.00 6.33 H new ATOM 0 HA HIS A 72 -23.681 -5.485 -0.861 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -23.824 -5.938 1.637 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -24.995 -7.195 1.290 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -24.128 -9.485 0.910 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -21.137 -6.591 0.572 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -21.949 -10.746 0.780 1.00 7.21 H new ATOM 1095 N PRO A 73 -25.829 -6.385 -2.521 1.00 5.90 N ATOM 1096 CA PRO A 73 -26.548 -7.247 -3.472 1.00 6.06 C ATOM 1097 C PRO A 73 -25.619 -8.270 -4.075 1.00 5.49 C ATOM 1098 O PRO A 73 -25.929 -9.447 -4.129 1.00 5.49 O ATOM 1099 CB PRO A 73 -27.061 -6.277 -4.554 1.00 6.60 C ATOM 1100 CG PRO A 73 -27.009 -4.928 -3.918 1.00 6.81 C ATOM 1101 CD PRO A 73 -25.846 -4.971 -2.961 1.00 6.21 C ATOM 0 HA PRO A 73 -27.353 -7.807 -2.997 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -26.438 -6.317 -5.447 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -28.076 -6.530 -4.862 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -26.871 -4.148 -4.666 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -27.939 -4.706 -3.394 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -24.912 -4.688 -3.447 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -25.988 -4.289 -2.123 1.00 6.21 H new ATOM 1109 N LYS A 74 -24.458 -7.795 -4.503 1.00 5.12 N ATOM 1110 CA LYS A 74 -23.463 -8.649 -5.084 1.00 4.75 C ATOM 1111 C LYS A 74 -22.142 -7.881 -5.186 1.00 4.46 C ATOM 1112 O LYS A 74 -22.017 -6.926 -5.949 1.00 4.75 O ATOM 1113 CB LYS A 74 -23.955 -9.166 -6.450 1.00 5.23 C ATOM 1114 CG LYS A 74 -24.026 -8.124 -7.555 1.00 5.74 C ATOM 1115 CD LYS A 74 -24.784 -8.663 -8.761 1.00 6.36 C ATOM 1116 CE LYS A 74 -24.491 -7.842 -9.987 1.00 6.91 C ATOM 1117 NZ LYS A 74 -23.089 -8.045 -10.440 1.00 7.32 N ATOM 0 H LYS A 74 -24.192 -6.812 -4.453 1.00 5.12 H new ATOM 0 HA LYS A 74 -23.290 -9.523 -4.455 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -23.295 -9.970 -6.774 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -24.946 -9.600 -6.319 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -24.518 -7.226 -7.182 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -23.018 -7.835 -7.853 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -24.504 -9.701 -8.938 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -25.855 -8.652 -8.558 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -25.179 -8.117 -10.786 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -24.658 -6.787 -9.771 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -22.629 -7.121 -10.571 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -22.569 -8.592 -9.725 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -23.087 -8.563 -11.342 1.00 7.32 H new ATOM 1131 N ALA A 75 -21.205 -8.220 -4.323 1.00 4.19 N ATOM 1132 CA ALA A 75 -19.869 -7.585 -4.357 1.00 4.02 C ATOM 1133 C ALA A 75 -19.114 -7.735 -5.719 1.00 4.43 C ATOM 1134 O ALA A 75 -18.700 -6.736 -6.316 1.00 4.52 O ATOM 1135 CB ALA A 75 -19.008 -8.018 -3.173 1.00 3.36 C ATOM 0 H ALA A 75 -21.325 -8.921 -3.592 1.00 4.19 H new ATOM 0 HA ALA A 75 -20.059 -6.516 -4.262 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -18.035 -7.531 -3.233 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -19.499 -7.733 -2.243 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -18.874 -9.100 -3.197 1.00 3.36 H new ATOM 1141 N ASP A 76 -18.959 -8.958 -6.173 1.00 5.01 N ATOM 1142 CA ASP A 76 -18.237 -9.311 -7.461 1.00 5.63 C ATOM 1143 C ASP A 76 -16.811 -8.792 -7.507 1.00 5.81 C ATOM 1144 O ASP A 76 -15.896 -9.398 -6.976 1.00 5.63 O ATOM 1145 CB ASP A 76 -18.943 -8.834 -8.745 1.00 6.39 C ATOM 1146 CG ASP A 76 -20.268 -9.475 -9.041 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -20.287 -10.566 -9.667 1.00 6.80 O ATOM 1148 OD2 ASP A 76 -21.306 -8.869 -8.701 1.00 6.82 O ATOM 0 H ASP A 76 -19.321 -9.775 -5.681 1.00 5.01 H new ATOM 0 HA ASP A 76 -18.244 -10.401 -7.442 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -19.090 -7.756 -8.677 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -18.278 -9.012 -9.590 1.00 6.39 H new ATOM 1153 N VAL A 77 -16.652 -7.621 -8.109 1.00 6.30 N ATOM 1154 CA VAL A 77 -15.358 -7.015 -8.318 1.00 6.58 C ATOM 1155 C VAL A 77 -14.935 -6.222 -7.110 1.00 5.93 C ATOM 1156 O VAL A 77 -13.772 -5.883 -6.948 1.00 6.00 O ATOM 1157 CB VAL A 77 -15.333 -6.128 -9.600 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -15.607 -6.984 -10.833 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -16.345 -4.971 -9.511 1.00 7.55 C ATOM 0 H VAL A 77 -17.429 -7.066 -8.467 1.00 6.30 H new ATOM 0 HA VAL A 77 -14.642 -7.823 -8.467 1.00 6.58 H new ATOM 0 HB VAL A 77 -14.340 -5.687 -9.684 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -15.588 -6.356 -11.724 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -14.842 -7.756 -10.917 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -16.587 -7.452 -10.740 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -16.298 -4.375 -10.423 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -17.350 -5.375 -9.393 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -16.104 -4.342 -8.654 1.00 7.55 H new ATOM 1169 N VAL A 78 -15.885 -5.917 -6.258 1.00 5.38 N ATOM 1170 CA VAL A 78 -15.560 -5.252 -5.023 1.00 4.74 C ATOM 1171 C VAL A 78 -15.602 -6.255 -3.897 1.00 4.00 C ATOM 1172 O VAL A 78 -15.571 -5.898 -2.754 1.00 3.42 O ATOM 1173 CB VAL A 78 -16.455 -4.019 -4.698 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -16.381 -2.981 -5.804 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -17.891 -4.411 -4.412 1.00 4.70 C ATOM 0 H VAL A 78 -16.876 -6.116 -6.396 1.00 5.38 H new ATOM 0 HA VAL A 78 -14.556 -4.845 -5.141 1.00 4.74 H new ATOM 0 HB VAL A 78 -16.060 -3.572 -3.786 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -17.016 -2.132 -5.549 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -15.351 -2.643 -5.917 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -16.723 -3.422 -6.740 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -18.475 -3.518 -4.191 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -18.312 -4.913 -5.283 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -17.921 -5.085 -3.556 1.00 4.70 H new ATOM 1185 N ALA A 79 -15.637 -7.547 -4.254 1.00 4.18 N ATOM 1186 CA ALA A 79 -15.600 -8.640 -3.244 1.00 3.76 C ATOM 1187 C ALA A 79 -14.284 -8.632 -2.445 1.00 3.69 C ATOM 1188 O ALA A 79 -14.153 -9.296 -1.420 1.00 3.56 O ATOM 1189 CB ALA A 79 -15.815 -9.993 -3.902 1.00 4.24 C ATOM 0 H ALA A 79 -15.690 -7.869 -5.220 1.00 4.18 H new ATOM 0 HA ALA A 79 -16.415 -8.461 -2.543 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -15.784 -10.775 -3.144 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -16.786 -10.006 -4.397 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -15.030 -10.169 -4.637 1.00 4.24 H new ATOM 1195 N CYS A 80 -13.316 -7.870 -2.935 1.00 4.00 N ATOM 1196 CA CYS A 80 -12.057 -7.694 -2.263 1.00 4.07 C ATOM 1197 C CYS A 80 -12.222 -6.769 -1.072 1.00 3.33 C ATOM 1198 O CYS A 80 -11.315 -6.641 -0.262 1.00 3.38 O ATOM 1199 CB CYS A 80 -11.030 -7.158 -3.232 1.00 4.73 C ATOM 1200 SG CYS A 80 -10.668 -8.253 -4.620 1.00 5.60 S ATOM 0 H CYS A 80 -13.392 -7.359 -3.814 1.00 4.00 H new ATOM 0 HA CYS A 80 -11.709 -8.658 -1.892 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -11.380 -6.202 -3.621 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -10.105 -6.961 -2.690 1.00 4.73 H new ATOM 0 HG CYS A 80 -9.779 -7.699 -5.390 1.00 5.60 H new ATOM 1206 N PHE A 81 -13.368 -6.119 -0.999 1.00 2.86 N ATOM 1207 CA PHE A 81 -13.747 -5.337 0.143 1.00 2.27 C ATOM 1208 C PHE A 81 -15.246 -4.987 0.013 1.00 2.17 C ATOM 1209 O PHE A 81 -15.609 -3.934 -0.501 1.00 2.52 O ATOM 1210 CB PHE A 81 -12.884 -4.084 0.296 1.00 2.41 C ATOM 1211 CG PHE A 81 -12.952 -3.503 1.664 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -12.224 -4.029 2.701 1.00 3.67 C ATOM 1213 CD2 PHE A 81 -13.749 -2.395 1.899 1.00 3.50 C ATOM 1214 CE1 PHE A 81 -12.302 -3.481 3.953 1.00 4.68 C ATOM 1215 CE2 PHE A 81 -13.840 -1.847 3.151 1.00 4.57 C ATOM 1216 CZ PHE A 81 -13.049 -2.471 4.222 1.00 5.13 C ATOM 0 H PHE A 81 -14.064 -6.125 -1.744 1.00 2.86 H new ATOM 0 HA PHE A 81 -13.582 -5.919 1.049 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -11.848 -4.330 0.061 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -13.206 -3.336 -0.428 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -11.584 -4.882 2.528 1.00 3.67 H new ATOM 0 HD2 PHE A 81 -14.306 -1.957 1.084 1.00 3.50 H new ATOM 0 HE1 PHE A 81 -11.712 -3.915 4.747 1.00 4.68 H new ATOM 0 HE2 PHE A 81 -14.468 -0.990 3.344 1.00 4.57 H new ATOM 0 HZ PHE A 81 -13.096 -2.083 5.229 1.00 5.13 H new ATOM 1226 N PRO A 82 -16.133 -5.919 0.432 1.00 2.09 N ATOM 1227 CA PRO A 82 -17.617 -5.811 0.262 1.00 2.39 C ATOM 1228 C PRO A 82 -18.293 -4.647 0.987 1.00 2.74 C ATOM 1229 O PRO A 82 -19.515 -4.600 1.058 1.00 3.27 O ATOM 1230 CB PRO A 82 -18.126 -7.138 0.823 1.00 2.47 C ATOM 1231 CG PRO A 82 -16.956 -8.049 0.751 1.00 2.41 C ATOM 1232 CD PRO A 82 -15.776 -7.196 1.074 1.00 2.19 C ATOM 0 HA PRO A 82 -17.853 -5.615 -0.784 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -18.478 -7.026 1.848 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -18.963 -7.521 0.238 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -17.053 -8.871 1.460 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -16.862 -8.492 -0.241 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -15.635 -7.086 2.149 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -14.851 -7.610 0.672 1.00 2.19 H new ATOM 1240 N HIS A 83 -17.528 -3.724 1.499 1.00 2.68 N ATOM 1241 CA HIS A 83 -18.117 -2.526 2.099 1.00 3.26 C ATOM 1242 C HIS A 83 -18.329 -1.482 1.015 1.00 3.66 C ATOM 1243 O HIS A 83 -18.830 -0.432 1.278 1.00 4.25 O ATOM 1244 CB HIS A 83 -17.223 -1.893 3.195 1.00 3.25 C ATOM 1245 CG HIS A 83 -16.989 -2.712 4.426 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -16.181 -2.297 5.470 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -17.453 -3.931 4.777 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -16.161 -3.227 6.394 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -16.924 -4.234 5.999 1.00 4.19 N ATOM 0 H HIS A 83 -16.509 -3.762 1.521 1.00 2.68 H new ATOM 0 HA HIS A 83 -19.054 -2.835 2.563 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -16.255 -1.660 2.752 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -17.672 -0.946 3.496 1.00 3.25 H new ATOM 0 HD1 HIS A 83 -15.681 -1.409 5.514 1.00 3.86 H new ATOM 0 HD2 HIS A 83 -18.120 -4.552 4.198 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -15.613 -3.179 7.323 1.00 4.24 H new ATOM 1258 N LEU A 84 -17.935 -1.803 -0.210 1.00 3.56 N ATOM 1259 CA LEU A 84 -17.950 -0.825 -1.294 1.00 4.20 C ATOM 1260 C LEU A 84 -19.151 -0.981 -2.248 1.00 4.81 C ATOM 1261 O LEU A 84 -19.268 -0.223 -3.224 1.00 5.47 O ATOM 1262 CB LEU A 84 -16.649 -0.934 -2.083 1.00 4.05 C ATOM 1263 CG LEU A 84 -15.368 -0.895 -1.243 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -14.141 -0.995 -2.135 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -15.310 0.354 -0.355 1.00 3.49 C ATOM 0 H LEU A 84 -17.602 -2.729 -0.479 1.00 3.56 H new ATOM 0 HA LEU A 84 -18.048 0.159 -0.835 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -16.664 -1.865 -2.650 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -16.614 -0.120 -2.808 1.00 4.05 H new ATOM 0 HG LEU A 84 -15.379 -1.759 -0.579 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -13.241 -0.966 -1.521 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -14.171 -1.932 -2.691 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -14.130 -0.159 -2.834 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -14.387 0.345 0.225 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -15.337 1.246 -0.980 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -16.164 0.359 0.322 1.00 3.49 H new ATOM 1277 N LYS A 85 -20.029 -1.951 -2.003 1.00 4.68 N ATOM 1278 CA LYS A 85 -21.168 -2.115 -2.892 1.00 5.28 C ATOM 1279 C LYS A 85 -22.215 -1.022 -2.888 1.00 6.06 C ATOM 1280 O LYS A 85 -22.400 -0.267 -1.937 1.00 6.40 O ATOM 1281 CB LYS A 85 -21.811 -3.500 -2.879 1.00 5.04 C ATOM 1282 CG LYS A 85 -21.206 -4.481 -3.856 1.00 5.59 C ATOM 1283 CD LYS A 85 -21.335 -4.014 -5.340 1.00 6.41 C ATOM 1284 CE LYS A 85 -22.797 -3.897 -5.806 1.00 7.19 C ATOM 1285 NZ LYS A 85 -22.898 -3.472 -7.239 1.00 8.04 N ATOM 0 H LYS A 85 -19.977 -2.610 -1.227 1.00 4.68 H new ATOM 0 HA LYS A 85 -20.661 -2.004 -3.850 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -21.733 -3.913 -1.873 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -22.873 -3.396 -3.099 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -20.153 -4.624 -3.615 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -21.694 -5.449 -3.741 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -20.844 -3.048 -5.456 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -20.809 -4.718 -5.984 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -23.296 -4.857 -5.677 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -23.321 -3.178 -5.177 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -23.899 -3.406 -7.512 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -22.444 -2.544 -7.359 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -22.420 -4.171 -7.843 1.00 8.04 H new ATOM 1299 N LYS A 86 -22.893 -1.002 -3.993 1.00 6.60 N ATOM 1300 CA LYS A 86 -23.951 -0.089 -4.325 1.00 7.50 C ATOM 1301 C LYS A 86 -25.224 -0.881 -4.467 1.00 8.13 C ATOM 1302 O LYS A 86 -25.332 -1.639 -5.466 1.00 8.62 O ATOM 1303 CB LYS A 86 -23.647 0.658 -5.647 1.00 8.04 C ATOM 1304 CG LYS A 86 -22.456 1.623 -5.597 1.00 8.96 C ATOM 1305 CD LYS A 86 -22.707 2.804 -4.651 1.00 9.74 C ATOM 1306 CE LYS A 86 -23.872 3.683 -5.125 1.00 10.66 C ATOM 1307 NZ LYS A 86 -23.628 4.292 -6.460 1.00 11.10 N ATOM 1308 OXT LYS A 86 -26.097 -0.762 -3.594 1.00 8.37 O ATOM 0 H LYS A 86 -22.711 -1.670 -4.742 1.00 6.60 H new ATOM 0 HA LYS A 86 -24.047 0.658 -3.537 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -23.463 -0.080 -6.428 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -24.535 1.218 -5.941 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -21.566 1.083 -5.273 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -22.253 1.999 -6.600 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -22.920 2.428 -3.650 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -21.803 3.409 -4.578 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -24.781 3.083 -5.165 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -24.044 4.474 -4.396 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -24.361 5.003 -6.656 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -22.693 4.747 -6.468 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -23.659 3.552 -7.190 1.00 11.10 H new TER 1322 LYS A 86